USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=25 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= -1.55 USER MOD Set 1.2: A 622 GLN : amide:sc= -6.66! C(o=-8.2!,f=-15!) USER MOD Set 2.1: A 581 ASN : amide:sc= -0.214! X(o=-1.2!,f=-1.3) USER MOD Set 2.2: A 583 ASN : amide:sc= -0.995 K(o=-1.2,f=-0.32) USER MOD Set 3.1: A 553 GLN : amide:sc= -1.11 K(o=-3.9,f=-4.6!) USER MOD Set 3.2: A 565 HIS : no HD1:sc= -2.83 K(o=-3.9,f=-3.1) USER MOD Set 4.1: A 556 CYS SG : rot -156:sc= 0.352 USER MOD Set 4.2: A 559 CYS SG : rot -14:sc= -16.4! USER MOD Set 4.3: A 612 CYS SG : rot -148:sc= -3.8! USER MOD Set 4.4: A 615 CYS SG : rot 24:sc= -25! USER MOD Single : A 546 GLN : amide:sc= -0.276 X(o=-0.28,f=-0.022) USER MOD Single : A 551 HIS : no HD1:sc= -6.36! C(o=-6.4!,f=-6.2!) USER MOD Single : A 558 ASN : amide:sc= -0.969 K(o=-0.97,f=-6.6!) USER MOD Single : A 560 MET CE :methyl -141:sc= -2.05 (180deg=-7.08!) USER MOD Single : A 567 SER OG : rot -37:sc= -2.83! USER MOD Single : A 571 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 575 THR OG1 : rot 180:sc= 0 USER MOD Single : A 576 HIS : no HE2:sc= -1.32 K(o=-1.3,f=-3.3) USER MOD Single : A 577 HIS : no HE2:sc= -18.2! C(o=-18!,f=-18!) USER MOD Single : A 579 ASN : amide:sc= -6.24! C(o=-6.2!,f=-3.7!) USER MOD Single : A 585 SER OG : rot 180:sc= 0 USER MOD Single : A 586 ASN : amide:sc= -0.573 K(o=-0.57,f=0) USER MOD Single : A 587 TYR OH : rot 180:sc= 0 USER MOD Single : A 589 ASN : amide:sc= -1.61! K(o=-1.6!,f=-0.63) USER MOD Single : A 591 SER OG : rot 110:sc= -1.23 USER MOD Single : A 605 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 611 SER OG : rot 78:sc= -0.251 USER MOD Single : A 614 ASN : amide:sc= -2.66! C(o=-2.7!,f=-2.5!) USER MOD Single : A 623 MET CE :methyl 167:sc= -0.14 (180deg=-0.288) USER MOD Single : A 625 TYR OH : rot 180:sc= 0 USER MOD Single : A 626 LYS NZ :NH3+ -119:sc= -0.435 (180deg=-0.98) USER MOD Single : A 627 SER OG : rot -72:sc= 0.458 USER MOD Single : A 629 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0366) USER MOD Single : A 634 LYS NZ :NH3+ 179:sc= 0.148 (180deg=0.148) USER MOD Single : A 637 SER OG : rot 136:sc= -0.179 USER MOD Single : A 638 MET CE :methyl -139:sc= -8.99! (180deg=-10.5!) USER MOD Single : A 642 THR OG1 : rot -109:sc= 0.458 USER MOD Single : A 644 GLN : amide:sc= -1.05 X(o=-1,f=-0.59) USER MOD Single : A 648 GLN : amide:sc= -2.52! K(o=-2.5!,f=-1.3) 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 -35:sc= 0.0691 USER MOD Single : A 658 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 56 N GLN A 546 4.997 -6.263 3.069 1.00 14.51 N ATOM 57 CA GLN A 546 5.713 -7.148 3.971 1.00 32.32 C ATOM 58 C GLN A 546 4.792 -7.614 5.101 1.00 55.43 C ATOM 59 O GLN A 546 3.818 -6.938 5.430 1.00 75.50 O ATOM 60 CB GLN A 546 6.964 -6.467 4.530 1.00 71.44 C ATOM 61 CG GLN A 546 6.590 -5.305 5.452 1.00 64.21 C ATOM 62 CD GLN A 546 7.819 -4.460 5.794 1.00 50.35 C ATOM 63 OE1 GLN A 546 8.160 -4.251 6.946 1.00 11.12 O ATOM 64 NE2 GLN A 546 8.463 -3.986 4.730 1.00 33.42 N ATOM 0 HA GLN A 546 6.037 -8.023 3.408 1.00 32.32 H new ATOM 0 HB2 GLN A 546 7.563 -7.193 5.079 1.00 71.44 H new ATOM 0 HB3 GLN A 546 7.581 -6.101 3.709 1.00 71.44 H new ATOM 0 HG2 GLN A 546 5.838 -4.681 4.970 1.00 64.21 H new ATOM 0 HG3 GLN A 546 6.144 -5.692 6.368 1.00 64.21 H new ATOM 0 HE21 GLN A 546 8.124 -4.199 3.792 1.00 33.42 H new ATOM 0 HE22 GLN A 546 9.296 -3.410 4.853 1.00 33.42 H new ATOM 73 N PHE A 547 5.132 -8.764 5.663 1.00 0.11 N ATOM 74 CA PHE A 547 4.348 -9.327 6.749 1.00 74.33 C ATOM 75 C PHE A 547 5.211 -10.217 7.645 1.00 63.43 C ATOM 76 O PHE A 547 5.450 -11.381 7.325 1.00 44.33 O ATOM 77 CB PHE A 547 3.249 -10.179 6.111 1.00 74.40 C ATOM 78 CG PHE A 547 2.771 -9.663 4.752 1.00 35.13 C ATOM 79 CD1 PHE A 547 3.617 -9.664 3.688 1.00 25.41 C ATOM 80 CD2 PHE A 547 1.499 -9.203 4.609 1.00 51.02 C ATOM 81 CE1 PHE A 547 3.174 -9.185 2.427 1.00 31.22 C ATOM 82 CE2 PHE A 547 1.055 -8.724 3.348 1.00 43.32 C ATOM 83 CZ PHE A 547 1.902 -8.725 2.284 1.00 42.04 C ATOM 0 H PHE A 547 5.940 -9.322 5.387 1.00 0.11 H new ATOM 0 HA PHE A 547 3.938 -8.527 7.365 1.00 74.33 H new ATOM 0 HB2 PHE A 547 3.617 -11.198 5.992 1.00 74.40 H new ATOM 0 HB3 PHE A 547 2.398 -10.224 6.791 1.00 74.40 H new ATOM 0 HD1 PHE A 547 4.627 -10.029 3.802 1.00 25.41 H new ATOM 0 HD2 PHE A 547 0.827 -9.202 5.454 1.00 51.02 H new ATOM 0 HE1 PHE A 547 3.847 -9.186 1.582 1.00 31.22 H new ATOM 0 HE2 PHE A 547 0.045 -8.359 3.234 1.00 43.32 H new ATOM 0 HZ PHE A 547 1.564 -8.360 1.325 1.00 42.04 H new ATOM 93 N PRO A 548 5.667 -9.621 8.779 1.00 65.22 N ATOM 94 CA PRO A 548 6.499 -10.347 9.723 1.00 24.13 C ATOM 95 C PRO A 548 5.667 -11.339 10.538 1.00 14.32 C ATOM 96 O PRO A 548 4.561 -11.017 10.972 1.00 24.31 O ATOM 97 CB PRO A 548 7.151 -9.274 10.580 1.00 52.42 C ATOM 98 CG PRO A 548 6.309 -8.022 10.391 1.00 33.25 C ATOM 99 CD PRO A 548 5.404 -8.245 9.190 1.00 24.43 C ATOM 0 HA PRO A 548 7.255 -10.960 9.232 1.00 24.13 H new ATOM 0 HB2 PRO A 548 7.177 -9.573 11.628 1.00 52.42 H new ATOM 0 HB3 PRO A 548 8.182 -9.101 10.272 1.00 52.42 H new ATOM 0 HG2 PRO A 548 5.716 -7.822 11.284 1.00 33.25 H new ATOM 0 HG3 PRO A 548 6.948 -7.153 10.232 1.00 33.25 H new ATOM 0 HD2 PRO A 548 4.356 -8.103 9.452 1.00 24.43 H new ATOM 0 HD3 PRO A 548 5.630 -7.542 8.388 1.00 24.43 H new ATOM 107 N VAL A 549 6.229 -12.524 10.722 1.00 61.22 N ATOM 108 CA VAL A 549 5.552 -13.565 11.477 1.00 4.21 C ATOM 109 C VAL A 549 5.133 -13.009 12.839 1.00 33.15 C ATOM 110 O VAL A 549 4.110 -13.413 13.390 1.00 32.03 O ATOM 111 CB VAL A 549 6.449 -14.800 11.586 1.00 40.23 C ATOM 112 CG1 VAL A 549 6.885 -15.284 10.201 1.00 34.44 C ATOM 113 CG2 VAL A 549 7.662 -14.520 12.476 1.00 73.34 C ATOM 0 H VAL A 549 7.146 -12.787 10.361 1.00 61.22 H new ATOM 0 HA VAL A 549 4.645 -13.883 10.962 1.00 4.21 H new ATOM 0 HB VAL A 549 5.868 -15.596 12.052 1.00 40.23 H new ATOM 0 HG11 VAL A 549 7.522 -16.163 10.306 1.00 34.44 H new ATOM 0 HG12 VAL A 549 6.005 -15.542 9.612 1.00 34.44 H new ATOM 0 HG13 VAL A 549 7.440 -14.493 9.697 1.00 34.44 H new ATOM 0 HG21 VAL A 549 8.283 -15.414 12.537 1.00 73.34 H new ATOM 0 HG22 VAL A 549 8.244 -13.702 12.051 1.00 73.34 H new ATOM 0 HG23 VAL A 549 7.324 -14.244 13.475 1.00 73.34 H new ATOM 123 N GLU A 550 5.944 -12.091 13.344 1.00 62.12 N ATOM 124 CA GLU A 550 5.670 -11.476 14.631 1.00 11.13 C ATOM 125 C GLU A 550 4.397 -10.630 14.555 1.00 3.10 C ATOM 126 O GLU A 550 3.684 -10.484 15.547 1.00 44.03 O ATOM 127 CB GLU A 550 6.859 -10.636 15.102 1.00 20.11 C ATOM 128 CG GLU A 550 7.236 -9.584 14.057 1.00 74.22 C ATOM 129 CD GLU A 550 7.746 -8.306 14.725 1.00 52.33 C ATOM 130 OE1 GLU A 550 8.143 -8.336 15.899 1.00 12.20 O ATOM 131 OE2 GLU A 550 7.722 -7.254 13.978 1.00 14.35 O ATOM 0 H GLU A 550 6.792 -11.758 12.884 1.00 62.12 H new ATOM 0 HA GLU A 550 5.514 -12.268 15.364 1.00 11.13 H new ATOM 0 HB2 GLU A 550 6.612 -10.146 16.044 1.00 20.11 H new ATOM 0 HB3 GLU A 550 7.713 -11.285 15.295 1.00 20.11 H new ATOM 0 HG2 GLU A 550 8.004 -9.983 13.394 1.00 74.22 H new ATOM 0 HG3 GLU A 550 6.369 -9.354 13.438 1.00 74.22 H new ATOM 139 N HIS A 551 4.151 -10.095 13.368 1.00 0.44 N ATOM 140 CA HIS A 551 2.977 -9.267 13.150 1.00 72.12 C ATOM 141 C HIS A 551 1.855 -10.117 12.550 1.00 52.44 C ATOM 142 O HIS A 551 0.719 -9.660 12.435 1.00 54.43 O ATOM 143 CB HIS A 551 3.323 -8.049 12.291 1.00 72.33 C ATOM 144 CG HIS A 551 4.211 -7.042 12.982 1.00 20.51 C ATOM 145 ND1 HIS A 551 4.358 -5.741 12.536 1.00 55.34 N ATOM 146 CD2 HIS A 551 4.996 -7.160 14.092 1.00 53.35 C ATOM 147 CE1 HIS A 551 5.196 -5.112 13.347 1.00 73.23 C ATOM 148 NE2 HIS A 551 5.591 -5.993 14.310 1.00 75.50 N ATOM 0 H HIS A 551 4.744 -10.219 12.548 1.00 0.44 H new ATOM 0 HA HIS A 551 2.620 -8.876 14.103 1.00 72.12 H new ATOM 0 HB2 HIS A 551 3.816 -8.388 11.380 1.00 72.33 H new ATOM 0 HB3 HIS A 551 2.399 -7.556 11.989 1.00 72.33 H new ATOM 0 HD2 HIS A 551 5.113 -8.051 14.691 1.00 53.35 H new ATOM 0 HE1 HIS A 551 5.511 -4.083 13.261 1.00 73.23 H new ATOM 0 HE2 HIS A 551 6.237 -5.789 15.072 1.00 75.50 H new ATOM 156 N VAL A 552 2.213 -11.338 12.183 1.00 72.34 N ATOM 157 CA VAL A 552 1.250 -12.256 11.597 1.00 65.10 C ATOM 158 C VAL A 552 0.827 -13.283 12.649 1.00 74.23 C ATOM 159 O VAL A 552 1.672 -13.893 13.302 1.00 72.33 O ATOM 160 CB VAL A 552 1.838 -12.897 10.338 1.00 72.10 C ATOM 161 CG1 VAL A 552 0.852 -13.889 9.717 1.00 23.32 C ATOM 162 CG2 VAL A 552 2.255 -11.831 9.323 1.00 12.33 C ATOM 0 H VAL A 552 3.156 -11.714 12.280 1.00 72.34 H new ATOM 0 HA VAL A 552 0.353 -11.722 11.285 1.00 65.10 H new ATOM 0 HB VAL A 552 2.731 -13.449 10.629 1.00 72.10 H new ATOM 0 HG11 VAL A 552 1.294 -14.331 8.824 1.00 23.32 H new ATOM 0 HG12 VAL A 552 0.626 -14.676 10.437 1.00 23.32 H new ATOM 0 HG13 VAL A 552 -0.067 -13.368 9.448 1.00 23.32 H new ATOM 0 HG21 VAL A 552 2.670 -12.314 8.438 1.00 12.33 H new ATOM 0 HG22 VAL A 552 1.385 -11.239 9.039 1.00 12.33 H new ATOM 0 HG23 VAL A 552 3.008 -11.180 9.767 1.00 12.33 H new ATOM 172 N GLN A 553 -0.482 -13.443 12.780 1.00 11.30 N ATOM 173 CA GLN A 553 -1.028 -14.385 13.741 1.00 34.44 C ATOM 174 C GLN A 553 -1.857 -15.454 13.025 1.00 24.10 C ATOM 175 O GLN A 553 -2.254 -15.269 11.876 1.00 71.43 O ATOM 176 CB GLN A 553 -1.863 -13.665 14.802 1.00 22.13 C ATOM 177 CG GLN A 553 -2.130 -14.576 16.002 1.00 25.50 C ATOM 178 CD GLN A 553 -2.635 -13.771 17.201 1.00 60.03 C ATOM 179 OE1 GLN A 553 -2.203 -13.949 18.328 1.00 44.23 O ATOM 180 NE2 GLN A 553 -3.572 -12.878 16.896 1.00 51.21 N ATOM 0 H GLN A 553 -1.180 -12.936 12.236 1.00 11.30 H new ATOM 0 HA GLN A 553 -0.198 -14.876 14.250 1.00 34.44 H new ATOM 0 HB2 GLN A 553 -1.342 -12.767 15.132 1.00 22.13 H new ATOM 0 HB3 GLN A 553 -2.810 -13.343 14.368 1.00 22.13 H new ATOM 0 HG2 GLN A 553 -2.866 -15.333 15.732 1.00 25.50 H new ATOM 0 HG3 GLN A 553 -1.215 -15.104 16.273 1.00 25.50 H new ATOM 0 HE21 GLN A 553 -3.889 -12.780 15.931 1.00 51.21 H new ATOM 0 HE22 GLN A 553 -3.974 -12.291 17.627 1.00 51.21 H new ATOM 189 N LEU A 554 -2.092 -16.548 13.734 1.00 71.42 N ATOM 190 CA LEU A 554 -2.866 -17.647 13.180 1.00 3.30 C ATOM 191 C LEU A 554 -4.321 -17.521 13.637 1.00 65.31 C ATOM 192 O LEU A 554 -4.629 -17.747 14.806 1.00 74.11 O ATOM 193 CB LEU A 554 -2.223 -18.988 13.537 1.00 64.43 C ATOM 194 CG LEU A 554 -1.026 -19.407 12.680 1.00 20.31 C ATOM 195 CD1 LEU A 554 -0.969 -20.928 12.524 1.00 31.21 C ATOM 196 CD2 LEU A 554 -1.043 -18.693 11.327 1.00 1.44 C ATOM 0 H LEU A 554 -1.760 -16.697 14.687 1.00 71.42 H new ATOM 0 HA LEU A 554 -2.868 -17.601 12.091 1.00 3.30 H new ATOM 0 HB2 LEU A 554 -1.903 -18.949 14.578 1.00 64.43 H new ATOM 0 HB3 LEU A 554 -2.985 -19.764 13.466 1.00 64.43 H new ATOM 0 HG LEU A 554 -0.115 -19.101 13.194 1.00 20.31 H new ATOM 0 HD11 LEU A 554 -0.109 -21.199 11.911 1.00 31.21 H new ATOM 0 HD12 LEU A 554 -0.875 -21.391 13.506 1.00 31.21 H new ATOM 0 HD13 LEU A 554 -1.882 -21.279 12.044 1.00 31.21 H new ATOM 0 HD21 LEU A 554 -0.182 -19.009 10.738 1.00 1.44 H new ATOM 0 HD22 LEU A 554 -1.960 -18.946 10.794 1.00 1.44 H new ATOM 0 HD23 LEU A 554 -1.000 -17.615 11.484 1.00 1.44 H new ATOM 208 N LEU A 555 -5.175 -17.162 12.691 1.00 54.32 N ATOM 209 CA LEU A 555 -6.590 -17.004 12.981 1.00 13.44 C ATOM 210 C LEU A 555 -7.398 -17.956 12.097 1.00 23.23 C ATOM 211 O LEU A 555 -6.877 -18.606 11.191 1.00 52.20 O ATOM 212 CB LEU A 555 -7.005 -15.537 12.844 1.00 21.21 C ATOM 213 CG LEU A 555 -6.137 -14.522 13.591 1.00 33.22 C ATOM 214 CD1 LEU A 555 -4.692 -14.563 13.091 1.00 21.33 C ATOM 215 CD2 LEU A 555 -6.736 -13.117 13.500 1.00 44.02 C ATOM 0 H LEU A 555 -4.915 -16.976 11.723 1.00 54.32 H new ATOM 0 HA LEU A 555 -6.798 -17.275 14.016 1.00 13.44 H new ATOM 0 HB2 LEU A 555 -7.004 -15.277 11.785 1.00 21.21 H new ATOM 0 HB3 LEU A 555 -8.032 -15.436 13.196 1.00 21.21 H new ATOM 0 HG LEU A 555 -6.120 -14.797 14.646 1.00 33.22 H new ATOM 0 HD11 LEU A 555 -4.097 -13.832 13.638 1.00 21.33 H new ATOM 0 HD12 LEU A 555 -4.280 -15.559 13.251 1.00 21.33 H new ATOM 0 HD13 LEU A 555 -4.668 -14.327 12.027 1.00 21.33 H new ATOM 0 HD21 LEU A 555 -6.100 -12.415 14.039 1.00 44.02 H new ATOM 0 HD22 LEU A 555 -6.803 -12.817 12.454 1.00 44.02 H new ATOM 0 HD23 LEU A 555 -7.732 -13.117 13.942 1.00 44.02 H new ATOM 227 N CYS A 556 -8.694 -18.026 12.384 1.00 51.33 N ATOM 228 CA CYS A 556 -9.598 -18.888 11.633 1.00 32.43 C ATOM 229 C CYS A 556 -10.518 -18.065 10.737 1.00 54.31 C ATOM 230 O CYS A 556 -11.406 -17.384 11.249 1.00 61.11 O ATOM 231 CB CYS A 556 -10.432 -19.744 12.589 1.00 3.21 C ATOM 232 SG CYS A 556 -11.018 -21.310 11.866 1.00 40.14 S ATOM 0 H CYS A 556 -9.141 -17.496 13.132 1.00 51.33 H new ATOM 0 HA CYS A 556 -8.995 -19.541 11.002 1.00 32.43 H new ATOM 0 HB2 CYS A 556 -9.837 -19.966 13.475 1.00 3.21 H new ATOM 0 HB3 CYS A 556 -11.294 -19.165 12.921 1.00 3.21 H new ATOM 0 HG CYS A 556 -12.075 -21.715 12.506 1.00 40.14 H new ATOM 237 N ILE A 557 -10.290 -18.143 9.434 1.00 5.42 N ATOM 238 CA ILE A 557 -11.103 -17.401 8.486 1.00 42.42 C ATOM 239 C ILE A 557 -12.549 -17.361 8.983 1.00 53.43 C ATOM 240 O ILE A 557 -13.265 -16.389 8.744 1.00 3.10 O ATOM 241 CB ILE A 557 -10.952 -17.984 7.079 1.00 4.53 C ATOM 242 CG1 ILE A 557 -12.019 -19.045 6.808 1.00 32.42 C ATOM 243 CG2 ILE A 557 -9.537 -18.523 6.859 1.00 71.43 C ATOM 244 CD1 ILE A 557 -11.932 -19.555 5.368 1.00 34.02 C ATOM 0 H ILE A 557 -9.553 -18.709 9.013 1.00 5.42 H new ATOM 0 HA ILE A 557 -10.761 -16.369 8.417 1.00 42.42 H new ATOM 0 HB ILE A 557 -11.107 -17.182 6.358 1.00 4.53 H new ATOM 0 HG12 ILE A 557 -11.893 -19.877 7.501 1.00 32.42 H new ATOM 0 HG13 ILE A 557 -13.008 -18.626 6.990 1.00 32.42 H new ATOM 0 HG21 ILE A 557 -9.456 -18.932 5.852 1.00 71.43 H new ATOM 0 HG22 ILE A 557 -8.816 -17.714 6.982 1.00 71.43 H new ATOM 0 HG23 ILE A 557 -9.329 -19.307 7.587 1.00 71.43 H new ATOM 0 HD11 ILE A 557 -12.702 -20.309 5.202 1.00 34.02 H new ATOM 0 HD12 ILE A 557 -12.082 -18.725 4.678 1.00 34.02 H new ATOM 0 HD13 ILE A 557 -10.950 -19.996 5.197 1.00 34.02 H new ATOM 256 N ASN A 558 -12.937 -18.428 9.665 1.00 62.33 N ATOM 257 CA ASN A 558 -14.285 -18.527 10.197 1.00 31.53 C ATOM 258 C ASN A 558 -14.338 -17.853 11.570 1.00 45.04 C ATOM 259 O ASN A 558 -14.989 -16.823 11.734 1.00 34.04 O ATOM 260 CB ASN A 558 -14.702 -19.989 10.373 1.00 62.04 C ATOM 261 CG ASN A 558 -14.900 -20.669 9.017 1.00 72.24 C ATOM 262 OD1 ASN A 558 -14.107 -20.528 8.100 1.00 22.45 O ATOM 263 ND2 ASN A 558 -16.000 -21.412 8.940 1.00 74.41 N ATOM 0 H ASN A 558 -12.341 -19.232 9.862 1.00 62.33 H new ATOM 0 HA ASN A 558 -14.961 -18.041 9.494 1.00 31.53 H new ATOM 0 HB2 ASN A 558 -13.941 -20.522 10.944 1.00 62.04 H new ATOM 0 HB3 ASN A 558 -15.626 -20.041 10.948 1.00 62.04 H new ATOM 0 HD21 ASN A 558 -16.222 -21.906 8.076 1.00 74.41 H new ATOM 0 HD22 ASN A 558 -16.622 -21.488 9.745 1.00 74.41 H new ATOM 270 N CYS A 559 -13.642 -18.461 12.519 1.00 34.24 N ATOM 271 CA CYS A 559 -13.602 -17.932 13.872 1.00 24.42 C ATOM 272 C CYS A 559 -12.957 -16.546 13.827 1.00 51.45 C ATOM 273 O CYS A 559 -13.606 -15.545 14.129 1.00 60.31 O ATOM 274 CB CYS A 559 -12.863 -18.874 14.826 1.00 50.15 C ATOM 275 SG CYS A 559 -13.181 -20.654 14.545 1.00 64.21 S ATOM 0 H CYS A 559 -13.101 -19.314 12.378 1.00 34.24 H new ATOM 0 HA CYS A 559 -14.616 -17.847 14.262 1.00 24.42 H new ATOM 0 HB2 CYS A 559 -11.792 -18.692 14.737 1.00 50.15 H new ATOM 0 HB3 CYS A 559 -13.144 -18.626 15.849 1.00 50.15 H new ATOM 0 HG CYS A 559 -14.207 -20.793 13.759 1.00 64.21 H new ATOM 280 N MET A 560 -11.688 -16.530 13.446 1.00 30.11 N ATOM 281 CA MET A 560 -10.949 -15.282 13.357 1.00 24.50 C ATOM 282 C MET A 560 -10.719 -14.681 14.745 1.00 42.11 C ATOM 283 O MET A 560 -10.814 -13.468 14.923 1.00 11.41 O ATOM 284 CB MET A 560 -11.726 -14.289 12.492 1.00 13.40 C ATOM 285 CG MET A 560 -11.211 -14.295 11.052 1.00 44.25 C ATOM 286 SD MET A 560 -12.262 -13.283 10.023 1.00 64.55 S ATOM 287 CE MET A 560 -13.825 -14.110 10.269 1.00 4.42 C ATOM 0 H MET A 560 -11.153 -17.361 13.195 1.00 30.11 H new ATOM 0 HA MET A 560 -9.978 -15.487 12.906 1.00 24.50 H new ATOM 0 HB2 MET A 560 -12.786 -14.543 12.504 1.00 13.40 H new ATOM 0 HB3 MET A 560 -11.634 -13.287 12.911 1.00 13.40 H new ATOM 0 HG2 MET A 560 -10.188 -13.920 11.021 1.00 44.25 H new ATOM 0 HG3 MET A 560 -11.188 -15.315 10.670 1.00 44.25 H new ATOM 0 HE1 MET A 560 -14.374 -14.138 9.328 1.00 4.42 H new ATOM 0 HE2 MET A 560 -13.647 -15.128 10.616 1.00 4.42 H new ATOM 0 HE3 MET A 560 -14.410 -13.569 11.013 1.00 4.42 H new ATOM 297 N VAL A 561 -10.420 -15.557 15.693 1.00 75.43 N ATOM 298 CA VAL A 561 -10.176 -15.128 17.059 1.00 14.02 C ATOM 299 C VAL A 561 -8.740 -15.481 17.451 1.00 34.54 C ATOM 300 O VAL A 561 -8.379 -15.412 18.625 1.00 45.41 O ATOM 301 CB VAL A 561 -11.220 -15.742 17.995 1.00 41.41 C ATOM 302 CG1 VAL A 561 -12.546 -15.965 17.266 1.00 53.23 C ATOM 303 CG2 VAL A 561 -10.706 -17.045 18.610 1.00 50.21 C ATOM 0 H VAL A 561 -10.341 -16.563 15.542 1.00 75.43 H new ATOM 0 HA VAL A 561 -10.279 -14.046 17.144 1.00 14.02 H new ATOM 0 HB VAL A 561 -11.399 -15.037 18.806 1.00 41.41 H new ATOM 0 HG11 VAL A 561 -13.270 -16.402 17.954 1.00 53.23 H new ATOM 0 HG12 VAL A 561 -12.924 -15.011 16.899 1.00 53.23 H new ATOM 0 HG13 VAL A 561 -12.390 -16.641 16.425 1.00 53.23 H new ATOM 0 HG21 VAL A 561 -11.467 -17.460 19.271 1.00 50.21 H new ATOM 0 HG22 VAL A 561 -10.485 -17.759 17.817 1.00 50.21 H new ATOM 0 HG23 VAL A 561 -9.799 -16.845 19.181 1.00 50.21 H new ATOM 313 N ALA A 562 -7.961 -15.853 16.447 1.00 61.53 N ATOM 314 CA ALA A 562 -6.572 -16.218 16.672 1.00 75.02 C ATOM 315 C ALA A 562 -6.515 -17.499 17.507 1.00 40.30 C ATOM 316 O ALA A 562 -6.887 -17.497 18.679 1.00 15.23 O ATOM 317 CB ALA A 562 -5.840 -15.053 17.340 1.00 15.34 C ATOM 0 H ALA A 562 -8.265 -15.910 15.475 1.00 61.53 H new ATOM 0 HA ALA A 562 -6.069 -16.419 15.726 1.00 75.02 H new ATOM 0 HB1 ALA A 562 -4.798 -15.327 17.509 1.00 15.34 H new ATOM 0 HB2 ALA A 562 -5.885 -14.177 16.694 1.00 15.34 H new ATOM 0 HB3 ALA A 562 -6.314 -14.825 18.294 1.00 15.34 H new ATOM 323 N VAL A 563 -6.045 -18.562 16.871 1.00 54.45 N ATOM 324 CA VAL A 563 -5.934 -19.846 17.540 1.00 33.41 C ATOM 325 C VAL A 563 -4.461 -20.141 17.827 1.00 23.31 C ATOM 326 O VAL A 563 -4.141 -21.105 18.522 1.00 44.51 O ATOM 327 CB VAL A 563 -6.609 -20.934 16.701 1.00 12.45 C ATOM 328 CG1 VAL A 563 -8.117 -20.968 16.959 1.00 50.52 C ATOM 329 CG2 VAL A 563 -6.311 -20.742 15.213 1.00 20.31 C ATOM 0 H VAL A 563 -5.737 -18.560 15.899 1.00 54.45 H new ATOM 0 HA VAL A 563 -6.454 -19.823 18.498 1.00 33.41 H new ATOM 0 HB VAL A 563 -6.196 -21.896 17.004 1.00 12.45 H new ATOM 0 HG11 VAL A 563 -8.573 -21.749 16.351 1.00 50.52 H new ATOM 0 HG12 VAL A 563 -8.301 -21.175 18.013 1.00 50.52 H new ATOM 0 HG13 VAL A 563 -8.553 -20.004 16.697 1.00 50.52 H new ATOM 0 HG21 VAL A 563 -6.802 -21.528 14.639 1.00 20.31 H new ATOM 0 HG22 VAL A 563 -6.684 -19.770 14.890 1.00 20.31 H new ATOM 0 HG23 VAL A 563 -5.235 -20.791 15.048 1.00 20.31 H new ATOM 339 N GLY A 564 -3.603 -19.294 17.278 1.00 62.23 N ATOM 340 CA GLY A 564 -2.171 -19.452 17.466 1.00 4.10 C ATOM 341 C GLY A 564 -1.411 -18.230 16.944 1.00 32.44 C ATOM 342 O GLY A 564 -1.924 -17.113 16.983 1.00 10.03 O ATOM 0 H GLY A 564 -3.872 -18.496 16.703 1.00 62.23 H new ATOM 0 HA2 GLY A 564 -1.953 -19.595 18.524 1.00 4.10 H new ATOM 0 HA3 GLY A 564 -1.829 -20.347 16.946 1.00 4.10 H new ATOM 346 N HIS A 565 -0.201 -18.485 16.468 1.00 12.44 N ATOM 347 CA HIS A 565 0.634 -17.420 15.940 1.00 50.53 C ATOM 348 C HIS A 565 1.342 -17.903 14.672 1.00 33.44 C ATOM 349 O HIS A 565 1.625 -19.092 14.530 1.00 32.04 O ATOM 350 CB HIS A 565 1.607 -16.913 17.006 1.00 44.44 C ATOM 351 CG HIS A 565 0.949 -16.128 18.115 1.00 40.51 C ATOM 352 ND1 HIS A 565 1.292 -14.821 18.414 1.00 1.41 N ATOM 353 CD2 HIS A 565 -0.035 -16.478 18.992 1.00 2.02 C ATOM 354 CE1 HIS A 565 0.543 -14.413 19.428 1.00 31.20 C ATOM 355 NE2 HIS A 565 -0.278 -15.442 19.785 1.00 14.13 N ATOM 0 H HIS A 565 0.221 -19.413 16.437 1.00 12.44 H new ATOM 0 HA HIS A 565 0.012 -16.568 15.665 1.00 50.53 H new ATOM 0 HB2 HIS A 565 2.131 -17.765 17.439 1.00 44.44 H new ATOM 0 HB3 HIS A 565 2.359 -16.286 16.528 1.00 44.44 H new ATOM 0 HD2 HIS A 565 -0.532 -17.436 19.034 1.00 2.02 H new ATOM 0 HE1 HIS A 565 0.577 -13.438 19.890 1.00 31.20 H new ATOM 0 HE2 HIS A 565 -0.966 -15.419 20.538 1.00 14.13 H new ATOM 363 N GLY A 566 1.607 -16.957 13.784 1.00 61.44 N ATOM 364 CA GLY A 566 2.276 -17.272 12.533 1.00 64.22 C ATOM 365 C GLY A 566 3.788 -17.394 12.735 1.00 20.24 C ATOM 366 O GLY A 566 4.498 -17.883 11.858 1.00 30.30 O ATOM 0 H GLY A 566 1.371 -15.972 13.905 1.00 61.44 H new ATOM 0 HA2 GLY A 566 1.883 -18.206 12.131 1.00 64.22 H new ATOM 0 HA3 GLY A 566 2.065 -16.495 11.798 1.00 64.22 H new ATOM 370 N SER A 567 4.236 -16.941 13.897 1.00 33.21 N ATOM 371 CA SER A 567 5.650 -16.993 14.226 1.00 20.50 C ATOM 372 C SER A 567 5.924 -18.162 15.175 1.00 14.45 C ATOM 373 O SER A 567 7.057 -18.359 15.612 1.00 35.30 O ATOM 374 CB SER A 567 6.119 -15.679 14.853 1.00 14.11 C ATOM 375 OG SER A 567 7.540 -15.592 14.912 1.00 32.42 O ATOM 0 H SER A 567 3.644 -16.536 14.622 1.00 33.21 H new ATOM 0 HA SER A 567 6.210 -17.143 13.303 1.00 20.50 H new ATOM 0 HB2 SER A 567 5.728 -14.842 14.275 1.00 14.11 H new ATOM 0 HB3 SER A 567 5.708 -15.591 15.859 1.00 14.11 H new ATOM 0 HG SER A 567 7.914 -16.474 15.117 1.00 32.42 H new ATOM 381 N ASP A 568 4.867 -18.905 15.467 1.00 33.33 N ATOM 382 CA ASP A 568 4.979 -20.049 16.357 1.00 14.40 C ATOM 383 C ASP A 568 4.900 -21.338 15.536 1.00 4.54 C ATOM 384 O ASP A 568 5.401 -22.378 15.959 1.00 21.34 O ATOM 385 CB ASP A 568 3.838 -20.067 17.376 1.00 33.22 C ATOM 386 CG ASP A 568 4.109 -19.289 18.665 1.00 25.13 C ATOM 387 OD1 ASP A 568 4.633 -18.165 18.635 1.00 71.43 O ATOM 388 OD2 ASP A 568 3.755 -19.891 19.750 1.00 3.31 O ATOM 0 H ASP A 568 3.929 -18.738 15.103 1.00 33.33 H new ATOM 0 HA ASP A 568 5.931 -19.976 16.883 1.00 14.40 H new ATOM 0 HB2 ASP A 568 2.944 -19.659 16.905 1.00 33.22 H new ATOM 0 HB3 ASP A 568 3.618 -21.103 17.634 1.00 33.22 H new ATOM 394 N LEU A 569 4.268 -21.226 14.377 1.00 4.23 N ATOM 395 CA LEU A 569 4.118 -22.369 13.494 1.00 63.45 C ATOM 396 C LEU A 569 5.460 -22.669 12.821 1.00 13.52 C ATOM 397 O LEU A 569 6.261 -21.763 12.596 1.00 11.21 O ATOM 398 CB LEU A 569 2.974 -22.136 12.505 1.00 34.24 C ATOM 399 CG LEU A 569 2.983 -20.793 11.772 1.00 24.24 C ATOM 400 CD1 LEU A 569 4.400 -20.420 11.330 1.00 32.25 C ATOM 401 CD2 LEU A 569 2.001 -20.801 10.600 1.00 74.41 C ATOM 0 H LEU A 569 3.854 -20.361 14.029 1.00 4.23 H new ATOM 0 HA LEU A 569 3.841 -23.256 14.064 1.00 63.45 H new ATOM 0 HB2 LEU A 569 2.995 -22.933 11.762 1.00 34.24 H new ATOM 0 HB3 LEU A 569 2.031 -22.227 13.043 1.00 34.24 H new ATOM 0 HG LEU A 569 2.648 -20.022 12.467 1.00 24.24 H new ATOM 0 HD11 LEU A 569 4.379 -19.461 10.811 1.00 32.25 H new ATOM 0 HD12 LEU A 569 5.046 -20.345 12.205 1.00 32.25 H new ATOM 0 HD13 LEU A 569 4.786 -21.187 10.659 1.00 32.25 H new ATOM 0 HD21 LEU A 569 2.027 -19.835 10.097 1.00 74.41 H new ATOM 0 HD22 LEU A 569 2.281 -21.585 9.896 1.00 74.41 H new ATOM 0 HD23 LEU A 569 0.993 -20.989 10.971 1.00 74.41 H new ATOM 413 N ARG A 570 5.663 -23.942 12.519 1.00 20.55 N ATOM 414 CA ARG A 570 6.894 -24.372 11.877 1.00 34.45 C ATOM 415 C ARG A 570 6.590 -25.386 10.773 1.00 72.42 C ATOM 416 O ARG A 570 5.670 -26.193 10.901 1.00 22.05 O ATOM 417 CB ARG A 570 7.852 -25.003 12.890 1.00 73.21 C ATOM 418 CG ARG A 570 7.923 -24.169 14.171 1.00 72.33 C ATOM 419 CD ARG A 570 8.613 -22.828 13.914 1.00 14.20 C ATOM 420 NE ARG A 570 10.068 -22.954 14.150 1.00 2.11 N ATOM 421 CZ ARG A 570 10.631 -23.051 15.373 1.00 10.03 C ATOM 422 NH1 ARG A 570 9.863 -23.037 16.484 1.00 63.33 N ATOM 423 NH2 ARG A 570 11.943 -23.159 15.467 1.00 22.43 N ATOM 0 H ARG A 570 4.996 -24.690 12.707 1.00 20.55 H new ATOM 0 HA ARG A 570 7.369 -23.491 11.445 1.00 34.45 H new ATOM 0 HB2 ARG A 570 7.521 -26.014 13.128 1.00 73.21 H new ATOM 0 HB3 ARG A 570 8.846 -25.088 12.452 1.00 73.21 H new ATOM 0 HG2 ARG A 570 6.917 -23.997 14.554 1.00 72.33 H new ATOM 0 HG3 ARG A 570 8.466 -24.720 14.939 1.00 72.33 H new ATOM 0 HD2 ARG A 570 8.429 -22.506 12.889 1.00 14.20 H new ATOM 0 HD3 ARG A 570 8.195 -22.063 14.569 1.00 14.20 H new ATOM 0 HE ARG A 570 10.684 -22.968 13.338 1.00 2.11 H new ATOM 0 HH11 ARG A 570 8.850 -22.953 16.403 1.00 63.33 H new ATOM 0 HH12 ARG A 570 10.296 -23.111 17.404 1.00 63.33 H new ATOM 0 HH21 ARG A 570 12.516 -23.168 14.623 1.00 22.43 H new ATOM 0 HH22 ARG A 570 12.384 -23.233 16.384 1.00 22.43 H new ATOM 436 N LYS A 571 7.380 -25.312 9.712 1.00 61.40 N ATOM 437 CA LYS A 571 7.207 -26.214 8.586 1.00 42.15 C ATOM 438 C LYS A 571 7.843 -27.565 8.917 1.00 25.30 C ATOM 439 O LYS A 571 8.705 -27.652 9.791 1.00 71.23 O ATOM 440 CB LYS A 571 7.747 -25.578 7.303 1.00 71.22 C ATOM 441 CG LYS A 571 7.384 -26.421 6.078 1.00 13.24 C ATOM 442 CD LYS A 571 7.419 -25.577 4.802 1.00 25.53 C ATOM 443 CE LYS A 571 8.723 -24.783 4.707 1.00 45.14 C ATOM 444 NZ LYS A 571 9.086 -24.550 3.291 1.00 70.44 N ATOM 0 H LYS A 571 8.142 -24.641 9.608 1.00 61.40 H new ATOM 0 HA LYS A 571 6.148 -26.397 8.403 1.00 42.15 H new ATOM 0 HB2 LYS A 571 7.339 -24.573 7.191 1.00 71.22 H new ATOM 0 HB3 LYS A 571 8.830 -25.477 7.371 1.00 71.22 H new ATOM 0 HG2 LYS A 571 8.080 -27.254 5.986 1.00 13.24 H new ATOM 0 HG3 LYS A 571 6.390 -26.849 6.208 1.00 13.24 H new ATOM 0 HD2 LYS A 571 7.318 -26.224 3.931 1.00 25.53 H new ATOM 0 HD3 LYS A 571 6.571 -24.893 4.791 1.00 25.53 H new ATOM 0 HE2 LYS A 571 8.613 -23.829 5.222 1.00 45.14 H new ATOM 0 HE3 LYS A 571 9.524 -25.326 5.209 1.00 45.14 H new ATOM 0 HZ1 LYS A 571 9.973 -24.010 3.244 1.00 70.44 H new ATOM 0 HZ2 LYS A 571 9.211 -25.463 2.810 1.00 70.44 H new ATOM 0 HZ3 LYS A 571 8.329 -24.013 2.822 1.00 70.44 H new ATOM 457 N VAL A 572 7.394 -28.586 8.202 1.00 65.13 N ATOM 458 CA VAL A 572 7.909 -29.929 8.409 1.00 62.01 C ATOM 459 C VAL A 572 8.708 -30.360 7.177 1.00 3.14 C ATOM 460 O VAL A 572 8.134 -30.636 6.125 1.00 14.15 O ATOM 461 CB VAL A 572 6.761 -30.884 8.741 1.00 72.13 C ATOM 462 CG1 VAL A 572 7.105 -32.318 8.334 1.00 65.12 C ATOM 463 CG2 VAL A 572 6.396 -30.808 10.225 1.00 54.25 C ATOM 0 H VAL A 572 6.679 -28.510 7.478 1.00 65.13 H new ATOM 0 HA VAL A 572 8.589 -29.950 9.261 1.00 62.01 H new ATOM 0 HB VAL A 572 5.890 -30.572 8.165 1.00 72.13 H new ATOM 0 HG11 VAL A 572 6.272 -32.976 8.581 1.00 65.12 H new ATOM 0 HG12 VAL A 572 7.292 -32.357 7.261 1.00 65.12 H new ATOM 0 HG13 VAL A 572 7.996 -32.644 8.870 1.00 65.12 H new ATOM 0 HG21 VAL A 572 5.577 -31.497 10.434 1.00 54.25 H new ATOM 0 HG22 VAL A 572 7.263 -31.081 10.827 1.00 54.25 H new ATOM 0 HG23 VAL A 572 6.088 -29.792 10.472 1.00 54.25 H new ATOM 473 N GLU A 573 10.021 -30.404 7.349 1.00 22.23 N ATOM 474 CA GLU A 573 10.905 -30.797 6.265 1.00 41.22 C ATOM 475 C GLU A 573 10.442 -30.168 4.949 1.00 65.31 C ATOM 476 O GLU A 573 10.535 -30.792 3.893 1.00 75.12 O ATOM 477 CB GLU A 573 10.985 -32.320 6.147 1.00 72.13 C ATOM 478 CG GLU A 573 9.643 -32.907 5.704 1.00 13.33 C ATOM 479 CD GLU A 573 9.809 -34.347 5.214 1.00 14.41 C ATOM 480 OE1 GLU A 573 10.141 -34.567 4.040 1.00 23.42 O ATOM 481 OE2 GLU A 573 9.580 -35.254 6.102 1.00 73.44 O ATOM 0 H GLU A 573 10.494 -30.174 8.223 1.00 22.23 H new ATOM 0 HA GLU A 573 11.907 -30.430 6.488 1.00 41.22 H new ATOM 0 HB2 GLU A 573 11.760 -32.593 5.430 1.00 72.13 H new ATOM 0 HB3 GLU A 573 11.274 -32.748 7.107 1.00 72.13 H new ATOM 0 HG2 GLU A 573 8.939 -32.881 6.535 1.00 13.33 H new ATOM 0 HG3 GLU A 573 9.219 -32.295 4.908 1.00 13.33 H new ATOM 489 N GLY A 574 9.955 -28.941 5.055 1.00 0.14 N ATOM 490 CA GLY A 574 9.478 -28.221 3.887 1.00 72.11 C ATOM 491 C GLY A 574 8.511 -29.081 3.070 1.00 22.01 C ATOM 492 O GLY A 574 8.659 -29.204 1.855 1.00 11.22 O ATOM 0 H GLY A 574 9.880 -28.427 5.933 1.00 0.14 H new ATOM 0 HA2 GLY A 574 8.979 -27.304 4.199 1.00 72.11 H new ATOM 0 HA3 GLY A 574 10.324 -27.928 3.265 1.00 72.11 H new ATOM 496 N THR A 575 7.543 -29.654 3.770 1.00 23.21 N ATOM 497 CA THR A 575 6.553 -30.499 3.125 1.00 34.11 C ATOM 498 C THR A 575 5.141 -30.002 3.442 1.00 74.25 C ATOM 499 O THR A 575 4.415 -29.573 2.546 1.00 15.23 O ATOM 500 CB THR A 575 6.802 -31.942 3.567 1.00 22.31 C ATOM 501 OG1 THR A 575 7.793 -32.417 2.660 1.00 44.20 O ATOM 502 CG2 THR A 575 5.597 -32.850 3.311 1.00 65.03 C ATOM 0 H THR A 575 7.423 -29.550 4.778 1.00 23.21 H new ATOM 0 HA THR A 575 6.644 -30.456 2.040 1.00 34.11 H new ATOM 0 HB THR A 575 7.049 -31.958 4.628 1.00 22.31 H new ATOM 0 HG1 THR A 575 8.015 -33.347 2.876 1.00 44.20 H new ATOM 0 HG21 THR A 575 5.827 -33.862 3.643 1.00 65.03 H new ATOM 0 HG22 THR A 575 4.735 -32.475 3.862 1.00 65.03 H new ATOM 0 HG23 THR A 575 5.369 -32.861 2.245 1.00 65.03 H new ATOM 510 N HIS A 576 4.794 -30.077 4.718 1.00 32.10 N ATOM 511 CA HIS A 576 3.482 -29.640 5.164 1.00 74.31 C ATOM 512 C HIS A 576 3.636 -28.642 6.313 1.00 41.11 C ATOM 513 O HIS A 576 4.604 -28.705 7.069 1.00 43.11 O ATOM 514 CB HIS A 576 2.607 -30.840 5.534 1.00 14.40 C ATOM 515 CG HIS A 576 2.381 -31.809 4.398 1.00 11.13 C ATOM 516 ND1 HIS A 576 2.352 -31.416 3.072 1.00 43.34 N ATOM 517 CD2 HIS A 576 2.175 -33.157 4.405 1.00 74.21 C ATOM 518 CE1 HIS A 576 2.137 -32.487 2.322 1.00 32.05 C ATOM 519 NE2 HIS A 576 2.026 -33.565 3.151 1.00 65.24 N ATOM 0 H HIS A 576 5.399 -30.434 5.458 1.00 32.10 H new ATOM 0 HA HIS A 576 2.970 -29.127 4.350 1.00 74.31 H new ATOM 0 HB2 HIS A 576 3.070 -31.372 6.365 1.00 14.40 H new ATOM 0 HB3 HIS A 576 1.641 -30.478 5.886 1.00 14.40 H new ATOM 0 HD1 HIS A 576 2.475 -30.463 2.730 1.00 43.34 H new ATOM 0 HD2 HIS A 576 2.139 -33.786 5.282 1.00 74.21 H new ATOM 0 HE1 HIS A 576 2.063 -32.504 1.245 1.00 32.05 H new ATOM 527 N HIS A 577 2.667 -27.744 6.408 1.00 51.40 N ATOM 528 CA HIS A 577 2.683 -26.733 7.452 1.00 71.10 C ATOM 529 C HIS A 577 1.997 -27.280 8.706 1.00 40.43 C ATOM 530 O HIS A 577 0.890 -27.810 8.631 1.00 71.42 O ATOM 531 CB HIS A 577 2.057 -25.428 6.955 1.00 61.52 C ATOM 532 CG HIS A 577 3.045 -24.473 6.329 1.00 70.13 C ATOM 533 ND1 HIS A 577 3.727 -24.760 5.159 1.00 54.32 N ATOM 534 CD2 HIS A 577 3.457 -23.234 6.721 1.00 4.31 C ATOM 535 CE1 HIS A 577 4.512 -23.732 4.870 1.00 31.40 C ATOM 536 NE2 HIS A 577 4.344 -22.788 5.840 1.00 40.13 N ATOM 0 H HIS A 577 1.865 -27.695 5.779 1.00 51.40 H new ATOM 0 HA HIS A 577 3.713 -26.495 7.717 1.00 71.10 H new ATOM 0 HB2 HIS A 577 1.282 -25.663 6.225 1.00 61.52 H new ATOM 0 HB3 HIS A 577 1.566 -24.931 7.792 1.00 61.52 H new ATOM 0 HD1 HIS A 577 3.640 -25.617 4.612 1.00 54.32 H new ATOM 0 HD2 HIS A 577 3.119 -22.705 7.600 1.00 4.31 H new ATOM 0 HE1 HIS A 577 5.169 -23.655 4.016 1.00 31.40 H new ATOM 544 N VAL A 578 2.683 -27.131 9.829 1.00 5.11 N ATOM 545 CA VAL A 578 2.154 -27.603 11.097 1.00 5.05 C ATOM 546 C VAL A 578 2.420 -26.553 12.178 1.00 13.12 C ATOM 547 O VAL A 578 3.561 -26.361 12.596 1.00 73.23 O ATOM 548 CB VAL A 578 2.749 -28.972 11.435 1.00 14.14 C ATOM 549 CG1 VAL A 578 2.466 -29.982 10.321 1.00 25.05 C ATOM 550 CG2 VAL A 578 4.250 -28.865 11.711 1.00 13.15 C ATOM 0 H VAL A 578 3.601 -26.690 9.887 1.00 5.11 H new ATOM 0 HA VAL A 578 1.074 -27.739 11.034 1.00 5.05 H new ATOM 0 HB VAL A 578 2.267 -29.332 12.344 1.00 14.14 H new ATOM 0 HG11 VAL A 578 2.899 -30.947 10.586 1.00 25.05 H new ATOM 0 HG12 VAL A 578 1.389 -30.091 10.193 1.00 25.05 H new ATOM 0 HG13 VAL A 578 2.908 -29.629 9.389 1.00 25.05 H new ATOM 0 HG21 VAL A 578 4.648 -29.852 11.949 1.00 13.15 H new ATOM 0 HG22 VAL A 578 4.755 -28.473 10.828 1.00 13.15 H new ATOM 0 HG23 VAL A 578 4.418 -28.194 12.553 1.00 13.15 H new ATOM 560 N ASN A 579 1.347 -25.900 12.600 1.00 34.42 N ATOM 561 CA ASN A 579 1.449 -24.875 13.624 1.00 1.42 C ATOM 562 C ASN A 579 1.532 -25.540 15.000 1.00 41.34 C ATOM 563 O ASN A 579 0.553 -26.113 15.476 1.00 5.52 O ATOM 564 CB ASN A 579 0.222 -23.962 13.614 1.00 55.40 C ATOM 565 CG ASN A 579 0.106 -23.183 14.926 1.00 22.10 C ATOM 566 OD1 ASN A 579 -0.974 -22.902 15.418 1.00 32.35 O ATOM 567 ND2 ASN A 579 1.277 -22.851 15.463 1.00 71.22 N ATOM 0 H ASN A 579 0.402 -26.061 12.251 1.00 34.42 H new ATOM 0 HA ASN A 579 2.341 -24.283 13.420 1.00 1.42 H new ATOM 0 HB2 ASN A 579 0.290 -23.265 12.778 1.00 55.40 H new ATOM 0 HB3 ASN A 579 -0.678 -24.558 13.460 1.00 55.40 H new ATOM 0 HD21 ASN A 579 1.307 -22.330 16.339 1.00 71.22 H new ATOM 0 HD22 ASN A 579 2.145 -23.118 14.999 1.00 71.22 H new ATOM 574 N VAL A 580 2.710 -25.442 15.599 1.00 53.32 N ATOM 575 CA VAL A 580 2.933 -26.027 16.910 1.00 43.30 C ATOM 576 C VAL A 580 2.395 -25.080 17.985 1.00 50.14 C ATOM 577 O VAL A 580 2.360 -23.866 17.787 1.00 65.30 O ATOM 578 CB VAL A 580 4.417 -26.354 17.091 1.00 72.43 C ATOM 579 CG1 VAL A 580 4.625 -27.334 18.247 1.00 11.14 C ATOM 580 CG2 VAL A 580 5.020 -26.900 15.795 1.00 75.23 C ATOM 0 H VAL A 580 3.520 -24.966 15.201 1.00 53.32 H new ATOM 0 HA VAL A 580 2.392 -26.968 17.005 1.00 43.30 H new ATOM 0 HB VAL A 580 4.936 -25.428 17.339 1.00 72.43 H new ATOM 0 HG11 VAL A 580 5.688 -27.550 18.354 1.00 11.14 H new ATOM 0 HG12 VAL A 580 4.249 -26.893 19.170 1.00 11.14 H new ATOM 0 HG13 VAL A 580 4.086 -28.259 18.041 1.00 11.14 H new ATOM 0 HG21 VAL A 580 6.075 -27.124 15.951 1.00 75.23 H new ATOM 0 HG22 VAL A 580 4.495 -27.810 15.504 1.00 75.23 H new ATOM 0 HG23 VAL A 580 4.920 -26.155 15.005 1.00 75.23 H new ATOM 590 N ASN A 581 1.988 -25.671 19.098 1.00 2.35 N ATOM 591 CA ASN A 581 1.453 -24.895 20.205 1.00 62.14 C ATOM 592 C ASN A 581 0.664 -25.819 21.135 1.00 51.43 C ATOM 593 O ASN A 581 -0.232 -26.535 20.690 1.00 11.44 O ATOM 594 CB ASN A 581 0.504 -23.804 19.704 1.00 21.53 C ATOM 595 CG ASN A 581 1.078 -22.412 19.974 1.00 62.13 C ATOM 596 OD1 ASN A 581 0.382 -21.491 20.368 1.00 41.11 O ATOM 597 ND2 ASN A 581 2.383 -22.311 19.740 1.00 44.44 N ATOM 0 H ASN A 581 2.018 -26.678 19.258 1.00 2.35 H new ATOM 0 HA ASN A 581 2.289 -24.432 20.729 1.00 62.14 H new ATOM 0 HB2 ASN A 581 0.332 -23.929 18.635 1.00 21.53 H new ATOM 0 HB3 ASN A 581 -0.463 -23.904 20.196 1.00 21.53 H new ATOM 0 HD21 ASN A 581 2.861 -21.422 19.890 1.00 44.44 H new ATOM 0 HD22 ASN A 581 2.906 -23.122 19.411 1.00 44.44 H new ATOM 604 N PRO A 582 1.035 -25.771 22.442 1.00 12.13 N ATOM 605 CA PRO A 582 0.372 -26.594 23.439 1.00 74.52 C ATOM 606 C PRO A 582 -1.014 -26.039 23.776 1.00 44.14 C ATOM 607 O PRO A 582 -1.891 -26.777 24.219 1.00 35.44 O ATOM 608 CB PRO A 582 1.314 -26.604 24.631 1.00 31.24 C ATOM 609 CG PRO A 582 2.243 -25.417 24.438 1.00 23.10 C ATOM 610 CD PRO A 582 2.091 -24.935 23.005 1.00 44.14 C ATOM 0 HA PRO A 582 0.184 -27.609 23.089 1.00 74.52 H new ATOM 0 HB2 PRO A 582 0.761 -26.519 25.566 1.00 31.24 H new ATOM 0 HB3 PRO A 582 1.876 -27.537 24.677 1.00 31.24 H new ATOM 0 HG2 PRO A 582 1.994 -24.619 25.138 1.00 23.10 H new ATOM 0 HG3 PRO A 582 3.276 -25.704 24.637 1.00 23.10 H new ATOM 0 HD2 PRO A 582 1.822 -23.879 22.969 1.00 44.14 H new ATOM 0 HD3 PRO A 582 3.022 -25.046 22.449 1.00 44.14 H new ATOM 618 N ASN A 583 -1.166 -24.742 23.552 1.00 73.03 N ATOM 619 CA ASN A 583 -2.430 -24.079 23.826 1.00 41.13 C ATOM 620 C ASN A 583 -3.385 -24.307 22.653 1.00 54.23 C ATOM 621 O ASN A 583 -4.546 -23.902 22.705 1.00 43.21 O ATOM 622 CB ASN A 583 -2.236 -22.570 23.991 1.00 23.40 C ATOM 623 CG ASN A 583 -0.826 -22.251 24.492 1.00 0.34 C ATOM 624 OD1 ASN A 583 -0.562 -22.187 25.682 1.00 64.22 O ATOM 625 ND2 ASN A 583 0.062 -22.054 23.522 1.00 54.52 N ATOM 0 H ASN A 583 -0.435 -24.133 23.184 1.00 73.03 H new ATOM 0 HA ASN A 583 -2.835 -24.494 24.749 1.00 41.13 H new ATOM 0 HB2 ASN A 583 -2.409 -22.071 23.037 1.00 23.40 H new ATOM 0 HB3 ASN A 583 -2.973 -22.179 24.693 1.00 23.40 H new ATOM 0 HD21 ASN A 583 1.031 -21.834 23.754 1.00 54.52 H new ATOM 0 HD22 ASN A 583 -0.225 -22.123 22.546 1.00 54.52 H new ATOM 632 N PHE A 584 -2.862 -24.954 21.622 1.00 32.41 N ATOM 633 CA PHE A 584 -3.654 -25.241 20.438 1.00 33.11 C ATOM 634 C PHE A 584 -4.681 -26.341 20.718 1.00 45.11 C ATOM 635 O PHE A 584 -5.773 -26.334 20.152 1.00 65.52 O ATOM 636 CB PHE A 584 -2.685 -25.727 19.359 1.00 72.14 C ATOM 637 CG PHE A 584 -3.081 -25.319 17.938 1.00 63.11 C ATOM 638 CD1 PHE A 584 -3.107 -24.004 17.590 1.00 30.45 C ATOM 639 CD2 PHE A 584 -3.406 -26.271 17.023 1.00 41.03 C ATOM 640 CE1 PHE A 584 -3.474 -23.626 16.272 1.00 11.21 C ATOM 641 CE2 PHE A 584 -3.773 -25.892 15.704 1.00 31.33 C ATOM 642 CZ PHE A 584 -3.799 -24.578 15.357 1.00 54.42 C ATOM 0 H PHE A 584 -1.899 -25.288 21.582 1.00 32.41 H new ATOM 0 HA PHE A 584 -4.195 -24.347 20.127 1.00 33.11 H new ATOM 0 HB2 PHE A 584 -1.691 -25.336 19.575 1.00 72.14 H new ATOM 0 HB3 PHE A 584 -2.617 -26.814 19.409 1.00 72.14 H new ATOM 0 HD1 PHE A 584 -2.848 -23.248 18.316 1.00 30.45 H new ATOM 0 HD2 PHE A 584 -3.385 -27.315 17.299 1.00 41.03 H new ATOM 0 HE1 PHE A 584 -3.495 -22.582 15.996 1.00 11.21 H new ATOM 0 HE2 PHE A 584 -4.031 -26.648 14.977 1.00 31.33 H new ATOM 0 HZ PHE A 584 -4.078 -24.290 14.354 1.00 54.42 H new ATOM 652 N SER A 585 -4.293 -27.259 21.591 1.00 13.02 N ATOM 653 CA SER A 585 -5.166 -28.363 21.953 1.00 11.10 C ATOM 654 C SER A 585 -6.491 -27.826 22.497 1.00 54.41 C ATOM 655 O SER A 585 -7.514 -28.505 22.432 1.00 75.41 O ATOM 656 CB SER A 585 -4.500 -29.276 22.984 1.00 34.04 C ATOM 657 OG SER A 585 -5.196 -30.511 23.132 1.00 62.13 O ATOM 0 H SER A 585 -3.386 -27.261 22.058 1.00 13.02 H new ATOM 0 HA SER A 585 -5.361 -28.953 21.057 1.00 11.10 H new ATOM 0 HB2 SER A 585 -3.471 -29.473 22.683 1.00 34.04 H new ATOM 0 HB3 SER A 585 -4.458 -28.766 23.946 1.00 34.04 H new ATOM 0 HG SER A 585 -4.739 -31.066 23.798 1.00 62.13 H new ATOM 663 N ASN A 586 -6.430 -26.610 23.021 1.00 70.31 N ATOM 664 CA ASN A 586 -7.613 -25.974 23.576 1.00 44.24 C ATOM 665 C ASN A 586 -8.352 -25.226 22.465 1.00 54.32 C ATOM 666 O ASN A 586 -9.528 -24.895 22.611 1.00 50.42 O ATOM 667 CB ASN A 586 -7.236 -24.961 24.658 1.00 11.34 C ATOM 668 CG ASN A 586 -7.205 -25.620 26.039 1.00 53.51 C ATOM 669 OD1 ASN A 586 -7.772 -25.129 27.002 1.00 24.51 O ATOM 670 ND2 ASN A 586 -6.514 -26.755 26.081 1.00 1.12 N ATOM 0 H ASN A 586 -5.580 -26.049 23.073 1.00 70.31 H new ATOM 0 HA ASN A 586 -8.241 -26.751 24.012 1.00 44.24 H new ATOM 0 HB2 ASN A 586 -6.260 -24.531 24.434 1.00 11.34 H new ATOM 0 HB3 ASN A 586 -7.953 -24.140 24.659 1.00 11.34 H new ATOM 0 HD21 ASN A 586 -6.434 -27.271 26.957 1.00 1.12 H new ATOM 0 HD22 ASN A 586 -6.064 -27.110 25.237 1.00 1.12 H new ATOM 677 N TYR A 587 -7.633 -24.981 21.379 1.00 31.04 N ATOM 678 CA TYR A 587 -8.207 -24.278 20.244 1.00 24.13 C ATOM 679 C TYR A 587 -8.789 -25.262 19.227 1.00 0.24 C ATOM 680 O TYR A 587 -9.286 -24.854 18.179 1.00 70.44 O ATOM 681 CB TYR A 587 -7.051 -23.515 19.594 1.00 54.43 C ATOM 682 CG TYR A 587 -6.829 -22.114 20.169 1.00 70.35 C ATOM 683 CD1 TYR A 587 -7.877 -21.218 20.228 1.00 61.24 C ATOM 684 CD2 TYR A 587 -5.580 -21.747 20.628 1.00 34.20 C ATOM 685 CE1 TYR A 587 -7.668 -19.900 20.769 1.00 65.23 C ATOM 686 CE2 TYR A 587 -5.371 -20.429 21.169 1.00 30.31 C ATOM 687 CZ TYR A 587 -6.425 -19.571 21.213 1.00 41.24 C ATOM 688 OH TYR A 587 -6.227 -18.326 21.724 1.00 72.04 O ATOM 0 H TYR A 587 -6.658 -25.257 21.261 1.00 31.04 H new ATOM 0 HA TYR A 587 -9.014 -23.620 20.567 1.00 24.13 H new ATOM 0 HB2 TYR A 587 -6.135 -24.094 19.712 1.00 54.43 H new ATOM 0 HB3 TYR A 587 -7.240 -23.432 18.524 1.00 54.43 H new ATOM 0 HD1 TYR A 587 -8.854 -21.505 19.868 1.00 61.24 H new ATOM 0 HD2 TYR A 587 -4.760 -22.448 20.581 1.00 34.20 H new ATOM 0 HE1 TYR A 587 -8.479 -19.189 20.821 1.00 65.23 H new ATOM 0 HE2 TYR A 587 -4.399 -20.129 21.532 1.00 30.31 H new ATOM 0 HH TYR A 587 -5.292 -18.232 22.002 1.00 72.04 H new ATOM 698 N TYR A 588 -8.708 -26.538 19.573 1.00 31.23 N ATOM 699 CA TYR A 588 -9.221 -27.583 18.704 1.00 61.23 C ATOM 700 C TYR A 588 -9.440 -28.884 19.479 1.00 12.35 C ATOM 701 O TYR A 588 -8.885 -29.066 20.562 1.00 52.00 O ATOM 702 CB TYR A 588 -8.145 -27.813 17.641 1.00 41.25 C ATOM 703 CG TYR A 588 -6.979 -28.683 18.113 1.00 20.51 C ATOM 704 CD1 TYR A 588 -7.177 -30.027 18.361 1.00 42.34 C ATOM 705 CD2 TYR A 588 -5.729 -28.126 18.292 1.00 13.50 C ATOM 706 CE1 TYR A 588 -6.079 -30.846 18.805 1.00 34.14 C ATOM 707 CE2 TYR A 588 -4.632 -28.945 18.737 1.00 41.01 C ATOM 708 CZ TYR A 588 -4.861 -30.265 18.972 1.00 51.23 C ATOM 709 OH TYR A 588 -3.825 -31.039 19.392 1.00 43.32 O ATOM 0 H TYR A 588 -8.295 -26.872 20.444 1.00 31.23 H new ATOM 0 HA TYR A 588 -10.178 -27.288 18.274 1.00 61.23 H new ATOM 0 HB2 TYR A 588 -8.604 -28.280 16.770 1.00 41.25 H new ATOM 0 HB3 TYR A 588 -7.756 -26.847 17.317 1.00 41.25 H new ATOM 0 HD1 TYR A 588 -8.155 -30.464 18.222 1.00 42.34 H new ATOM 0 HD2 TYR A 588 -5.574 -27.075 18.098 1.00 13.50 H new ATOM 0 HE1 TYR A 588 -6.220 -31.899 19.001 1.00 34.14 H new ATOM 0 HE2 TYR A 588 -3.649 -28.521 18.881 1.00 41.01 H new ATOM 0 HH TYR A 588 -3.016 -30.491 19.466 1.00 43.32 H new ATOM 719 N ASN A 589 -10.251 -29.754 18.896 1.00 65.14 N ATOM 720 CA ASN A 589 -10.550 -31.032 19.519 1.00 60.34 C ATOM 721 C ASN A 589 -10.309 -32.156 18.509 1.00 45.04 C ATOM 722 O ASN A 589 -10.850 -32.130 17.405 1.00 71.05 O ATOM 723 CB ASN A 589 -12.013 -31.100 19.961 1.00 71.24 C ATOM 724 CG ASN A 589 -12.278 -30.146 21.127 1.00 74.12 C ATOM 725 OD1 ASN A 589 -12.182 -30.503 22.289 1.00 22.44 O ATOM 726 ND2 ASN A 589 -12.617 -28.916 20.753 1.00 54.32 N ATOM 0 H ASN A 589 -10.710 -29.599 17.999 1.00 65.14 H new ATOM 0 HA ASN A 589 -9.904 -31.142 20.390 1.00 60.34 H new ATOM 0 HB2 ASN A 589 -12.662 -30.845 19.123 1.00 71.24 H new ATOM 0 HB3 ASN A 589 -12.260 -32.119 20.257 1.00 71.24 H new ATOM 0 HD21 ASN A 589 -12.815 -28.205 21.457 1.00 54.32 H new ATOM 0 HD22 ASN A 589 -12.679 -28.683 19.762 1.00 54.32 H new ATOM 733 N VAL A 590 -9.495 -33.116 18.923 1.00 20.01 N ATOM 734 CA VAL A 590 -9.175 -34.247 18.068 1.00 12.24 C ATOM 735 C VAL A 590 -10.388 -35.176 17.984 1.00 1.12 C ATOM 736 O VAL A 590 -11.086 -35.382 18.975 1.00 33.34 O ATOM 737 CB VAL A 590 -7.917 -34.951 18.581 1.00 51.21 C ATOM 738 CG1 VAL A 590 -7.834 -36.382 18.047 1.00 32.45 C ATOM 739 CG2 VAL A 590 -6.660 -34.157 18.220 1.00 24.53 C ATOM 0 H VAL A 590 -9.047 -33.134 19.839 1.00 20.01 H new ATOM 0 HA VAL A 590 -8.953 -33.910 17.056 1.00 12.24 H new ATOM 0 HB VAL A 590 -7.980 -35.002 19.668 1.00 51.21 H new ATOM 0 HG11 VAL A 590 -6.931 -36.860 18.426 1.00 32.45 H new ATOM 0 HG12 VAL A 590 -8.708 -36.944 18.376 1.00 32.45 H new ATOM 0 HG13 VAL A 590 -7.804 -36.363 16.958 1.00 32.45 H new ATOM 0 HG21 VAL A 590 -5.780 -34.679 18.596 1.00 24.53 H new ATOM 0 HG22 VAL A 590 -6.589 -34.060 17.137 1.00 24.53 H new ATOM 0 HG23 VAL A 590 -6.714 -33.166 18.670 1.00 24.53 H new ATOM 749 N SER A 591 -10.601 -35.712 16.791 1.00 10.43 N ATOM 750 CA SER A 591 -11.717 -36.614 16.565 1.00 52.13 C ATOM 751 C SER A 591 -11.558 -37.869 17.425 1.00 73.11 C ATOM 752 O SER A 591 -10.534 -38.050 18.082 1.00 35.21 O ATOM 753 CB SER A 591 -11.827 -36.994 15.087 1.00 51.33 C ATOM 754 OG SER A 591 -10.560 -37.328 14.526 1.00 53.43 O ATOM 0 H SER A 591 -10.020 -35.539 15.971 1.00 10.43 H new ATOM 0 HA SER A 591 -12.635 -36.100 16.850 1.00 52.13 H new ATOM 0 HB2 SER A 591 -12.505 -37.840 14.980 1.00 51.33 H new ATOM 0 HB3 SER A 591 -12.262 -36.164 14.531 1.00 51.33 H new ATOM 0 HG SER A 591 -10.527 -38.290 14.342 1.00 53.43 H new ATOM 966 N TRP A 604 7.032 -39.627 10.999 1.00 70.40 N ATOM 967 CA TRP A 604 6.032 -38.995 11.842 1.00 55.11 C ATOM 968 C TRP A 604 4.710 -39.742 11.649 1.00 2.20 C ATOM 969 O TRP A 604 4.228 -39.878 10.526 1.00 64.35 O ATOM 970 CB TRP A 604 5.923 -37.500 11.536 1.00 2.34 C ATOM 971 CG TRP A 604 5.294 -37.186 10.178 1.00 71.15 C ATOM 972 CD1 TRP A 604 5.216 -37.981 9.101 1.00 14.15 C ATOM 973 CD2 TRP A 604 4.654 -35.952 9.791 1.00 53.13 C ATOM 974 NE1 TRP A 604 4.574 -37.352 8.054 1.00 44.14 N ATOM 975 CE2 TRP A 604 4.222 -36.079 8.486 1.00 12.23 C ATOM 976 CE3 TRP A 604 4.446 -34.767 10.519 1.00 23.32 C ATOM 977 CZ2 TRP A 604 3.556 -35.059 7.797 1.00 53.25 C ATOM 978 CZ3 TRP A 604 3.779 -33.757 9.816 1.00 61.34 C ATOM 979 CH2 TRP A 604 3.338 -33.869 8.502 1.00 21.42 C ATOM 0 HA TRP A 604 6.318 -39.058 12.892 1.00 55.11 H new ATOM 0 HB2 TRP A 604 5.332 -37.022 12.317 1.00 2.34 H new ATOM 0 HB3 TRP A 604 6.919 -37.058 11.574 1.00 2.34 H new ATOM 0 HD1 TRP A 604 5.607 -38.987 9.058 1.00 14.15 H new ATOM 0 HE1 TRP A 604 4.391 -37.749 7.132 1.00 44.14 H new ATOM 0 HE3 TRP A 604 4.775 -34.646 11.540 1.00 23.32 H new ATOM 0 HZ2 TRP A 604 3.228 -35.183 6.776 1.00 53.25 H new ATOM 0 HZ3 TRP A 604 3.594 -32.825 10.330 1.00 61.34 H new ATOM 0 HH2 TRP A 604 2.830 -33.042 8.028 1.00 21.42 H new ATOM 990 N LYS A 605 4.162 -40.206 12.762 1.00 14.32 N ATOM 991 CA LYS A 605 2.905 -40.935 12.730 1.00 64.21 C ATOM 992 C LYS A 605 1.743 -39.943 12.789 1.00 14.42 C ATOM 993 O LYS A 605 1.929 -38.784 13.156 1.00 1.44 O ATOM 994 CB LYS A 605 2.870 -41.991 13.837 1.00 1.41 C ATOM 995 CG LYS A 605 2.341 -41.397 15.144 1.00 13.30 C ATOM 996 CD LYS A 605 2.161 -42.483 16.207 1.00 53.25 C ATOM 997 CE LYS A 605 1.065 -42.099 17.203 1.00 40.21 C ATOM 998 NZ LYS A 605 1.052 -43.038 18.346 1.00 30.44 N ATOM 0 H LYS A 605 4.565 -40.092 13.692 1.00 14.32 H new ATOM 0 HA LYS A 605 2.807 -41.485 11.794 1.00 64.21 H new ATOM 0 HB2 LYS A 605 2.238 -42.824 13.530 1.00 1.41 H new ATOM 0 HB3 LYS A 605 3.871 -42.392 13.994 1.00 1.41 H new ATOM 0 HG2 LYS A 605 3.033 -40.637 15.509 1.00 13.30 H new ATOM 0 HG3 LYS A 605 1.388 -40.900 14.962 1.00 13.30 H new ATOM 0 HD2 LYS A 605 1.906 -43.428 15.727 1.00 53.25 H new ATOM 0 HD3 LYS A 605 3.101 -42.638 16.737 1.00 53.25 H new ATOM 0 HE2 LYS A 605 1.231 -41.083 17.561 1.00 40.21 H new ATOM 0 HE3 LYS A 605 0.095 -42.108 16.706 1.00 40.21 H new ATOM 0 HZ1 LYS A 605 0.302 -42.763 19.013 1.00 30.44 H new ATOM 0 HZ2 LYS A 605 0.872 -44.002 18.001 1.00 30.44 H new ATOM 0 HZ3 LYS A 605 1.972 -43.009 18.829 1.00 30.44 H new ATOM 1011 N PRO A 606 0.537 -40.447 12.412 1.00 11.44 N ATOM 1012 CA PRO A 606 -0.656 -39.617 12.419 1.00 31.31 C ATOM 1013 C PRO A 606 -1.158 -39.390 13.847 1.00 71.44 C ATOM 1014 O PRO A 606 -0.446 -39.667 14.810 1.00 22.23 O ATOM 1015 CB PRO A 606 -1.657 -40.360 11.549 1.00 65.13 C ATOM 1016 CG PRO A 606 -1.155 -41.793 11.467 1.00 12.22 C ATOM 1017 CD PRO A 606 0.278 -41.814 11.972 1.00 65.34 C ATOM 0 HA PRO A 606 -0.474 -38.616 12.028 1.00 31.31 H new ATOM 0 HB2 PRO A 606 -2.656 -40.320 11.983 1.00 65.13 H new ATOM 0 HB3 PRO A 606 -1.722 -39.911 10.558 1.00 65.13 H new ATOM 0 HG2 PRO A 606 -1.781 -42.452 12.068 1.00 12.22 H new ATOM 0 HG3 PRO A 606 -1.203 -42.156 10.440 1.00 12.22 H new ATOM 0 HD2 PRO A 606 0.399 -42.523 12.791 1.00 65.34 H new ATOM 0 HD3 PRO A 606 0.970 -42.115 11.186 1.00 65.34 H new ATOM 1025 N GLY A 607 -2.381 -38.889 13.937 1.00 51.12 N ATOM 1026 CA GLY A 607 -2.987 -38.622 15.230 1.00 1.33 C ATOM 1027 C GLY A 607 -4.513 -38.701 15.148 1.00 4.51 C ATOM 1028 O GLY A 607 -5.082 -39.791 15.136 1.00 3.02 O ATOM 0 H GLY A 607 -2.969 -38.661 13.135 1.00 51.12 H new ATOM 0 HA2 GLY A 607 -2.621 -39.341 15.963 1.00 1.33 H new ATOM 0 HA3 GLY A 607 -2.689 -37.633 15.578 1.00 1.33 H new ATOM 1032 N GLY A 608 -5.132 -37.530 15.093 1.00 24.43 N ATOM 1033 CA GLY A 608 -6.580 -37.453 15.013 1.00 74.25 C ATOM 1034 C GLY A 608 -7.022 -36.188 14.273 1.00 23.25 C ATOM 1035 O GLY A 608 -6.315 -35.181 14.283 1.00 74.22 O ATOM 0 H GLY A 608 -4.657 -36.628 15.102 1.00 24.43 H new ATOM 0 HA2 GLY A 608 -6.967 -38.333 14.499 1.00 74.25 H new ATOM 0 HA3 GLY A 608 -7.004 -37.458 16.017 1.00 74.25 H new ATOM 1039 N VAL A 609 -8.187 -36.281 13.651 1.00 74.52 N ATOM 1040 CA VAL A 609 -8.731 -35.157 12.908 1.00 33.12 C ATOM 1041 C VAL A 609 -8.843 -33.945 13.835 1.00 30.34 C ATOM 1042 O VAL A 609 -9.415 -34.040 14.921 1.00 65.05 O ATOM 1043 CB VAL A 609 -10.066 -35.548 12.271 1.00 54.50 C ATOM 1044 CG1 VAL A 609 -10.525 -34.488 11.267 1.00 70.44 C ATOM 1045 CG2 VAL A 609 -9.977 -36.926 11.613 1.00 55.34 C ATOM 0 H VAL A 609 -8.770 -37.118 13.646 1.00 74.52 H new ATOM 0 HA VAL A 609 -8.065 -34.881 12.091 1.00 33.12 H new ATOM 0 HB VAL A 609 -10.812 -35.604 13.063 1.00 54.50 H new ATOM 0 HG11 VAL A 609 -11.476 -34.790 10.828 1.00 70.44 H new ATOM 0 HG12 VAL A 609 -10.648 -33.533 11.777 1.00 70.44 H new ATOM 0 HG13 VAL A 609 -9.779 -34.386 10.479 1.00 70.44 H new ATOM 0 HG21 VAL A 609 -10.939 -37.180 11.168 1.00 55.34 H new ATOM 0 HG22 VAL A 609 -9.211 -36.910 10.837 1.00 55.34 H new ATOM 0 HG23 VAL A 609 -9.717 -37.672 12.364 1.00 55.34 H new ATOM 1055 N ILE A 610 -8.288 -32.834 13.374 1.00 32.20 N ATOM 1056 CA ILE A 610 -8.318 -31.605 14.148 1.00 33.15 C ATOM 1057 C ILE A 610 -9.562 -30.798 13.768 1.00 24.35 C ATOM 1058 O ILE A 610 -10.029 -30.870 12.633 1.00 35.22 O ATOM 1059 CB ILE A 610 -7.008 -30.833 13.979 1.00 15.30 C ATOM 1060 CG1 ILE A 610 -5.839 -31.786 13.723 1.00 52.22 C ATOM 1061 CG2 ILE A 610 -6.751 -29.920 15.179 1.00 12.45 C ATOM 1062 CD1 ILE A 610 -4.503 -31.114 14.045 1.00 12.45 C ATOM 0 H ILE A 610 -7.815 -32.759 12.474 1.00 32.20 H new ATOM 0 HA ILE A 610 -8.395 -31.827 15.212 1.00 33.15 H new ATOM 0 HB ILE A 610 -7.100 -30.193 13.101 1.00 15.30 H new ATOM 0 HG12 ILE A 610 -5.956 -32.682 14.332 1.00 52.22 H new ATOM 0 HG13 ILE A 610 -5.847 -32.106 12.681 1.00 52.22 H new ATOM 0 HG21 ILE A 610 -5.814 -29.383 15.033 1.00 12.45 H new ATOM 0 HG22 ILE A 610 -7.568 -29.205 15.274 1.00 12.45 H new ATOM 0 HG23 ILE A 610 -6.688 -30.521 16.086 1.00 12.45 H new ATOM 0 HD11 ILE A 610 -3.689 -31.813 13.854 1.00 12.45 H new ATOM 0 HD12 ILE A 610 -4.379 -30.232 13.417 1.00 12.45 H new ATOM 0 HD13 ILE A 610 -4.488 -30.817 15.094 1.00 12.45 H new ATOM 1074 N SER A 611 -10.061 -30.049 14.740 1.00 51.30 N ATOM 1075 CA SER A 611 -11.241 -29.229 14.522 1.00 60.24 C ATOM 1076 C SER A 611 -11.236 -28.038 15.482 1.00 61.11 C ATOM 1077 O SER A 611 -11.331 -28.214 16.696 1.00 62.15 O ATOM 1078 CB SER A 611 -12.521 -30.048 14.699 1.00 60.33 C ATOM 1079 OG SER A 611 -12.297 -31.440 14.489 1.00 75.00 O ATOM 0 H SER A 611 -9.670 -29.993 15.680 1.00 51.30 H new ATOM 0 HA SER A 611 -11.216 -28.860 13.496 1.00 60.24 H new ATOM 0 HB2 SER A 611 -12.916 -29.892 15.703 1.00 60.33 H new ATOM 0 HB3 SER A 611 -13.278 -29.693 14.000 1.00 60.33 H new ATOM 0 HG SER A 611 -11.874 -31.827 15.284 1.00 75.00 H new ATOM 1085 N CYS A 612 -11.124 -26.852 14.902 1.00 31.01 N ATOM 1086 CA CYS A 612 -11.105 -25.632 15.691 1.00 34.12 C ATOM 1087 C CYS A 612 -12.266 -25.686 16.687 1.00 24.20 C ATOM 1088 O CYS A 612 -13.422 -25.820 16.291 1.00 34.30 O ATOM 1089 CB CYS A 612 -11.170 -24.385 14.807 1.00 70.32 C ATOM 1090 SG CYS A 612 -10.812 -22.812 15.671 1.00 72.24 S ATOM 0 H CYS A 612 -11.045 -26.710 13.895 1.00 31.01 H new ATOM 0 HA CYS A 612 -10.163 -25.563 16.235 1.00 34.12 H new ATOM 0 HB2 CYS A 612 -10.462 -24.502 13.986 1.00 70.32 H new ATOM 0 HB3 CYS A 612 -12.164 -24.322 14.364 1.00 70.32 H new ATOM 0 HG CYS A 612 -11.497 -21.851 15.125 1.00 72.24 H new ATOM 1095 N ARG A 613 -11.916 -25.579 17.960 1.00 30.15 N ATOM 1096 CA ARG A 613 -12.914 -25.614 19.016 1.00 20.20 C ATOM 1097 C ARG A 613 -13.762 -24.341 18.987 1.00 30.13 C ATOM 1098 O ARG A 613 -14.918 -24.351 19.407 1.00 32.50 O ATOM 1099 CB ARG A 613 -12.257 -25.750 20.391 1.00 62.20 C ATOM 1100 CG ARG A 613 -13.262 -25.468 21.509 1.00 32.44 C ATOM 1101 CD ARG A 613 -12.613 -25.634 22.885 1.00 43.31 C ATOM 1102 NE ARG A 613 -13.551 -26.307 23.810 1.00 14.33 N ATOM 1103 CZ ARG A 613 -13.175 -26.941 24.941 1.00 13.43 C ATOM 1104 NH1 ARG A 613 -11.874 -26.993 25.297 1.00 71.42 N ATOM 1105 NH2 ARG A 613 -14.099 -27.508 25.694 1.00 31.13 N ATOM 0 H ARG A 613 -10.955 -25.468 18.284 1.00 30.15 H new ATOM 0 HA ARG A 613 -13.550 -26.482 18.843 1.00 20.20 H new ATOM 0 HB2 ARG A 613 -11.852 -26.755 20.507 1.00 62.20 H new ATOM 0 HB3 ARG A 613 -11.419 -25.058 20.468 1.00 62.20 H new ATOM 0 HG2 ARG A 613 -13.651 -24.455 21.406 1.00 32.44 H new ATOM 0 HG3 ARG A 613 -14.111 -26.146 21.419 1.00 32.44 H new ATOM 0 HD2 ARG A 613 -11.696 -26.217 22.796 1.00 43.31 H new ATOM 0 HD3 ARG A 613 -12.333 -24.659 23.284 1.00 43.31 H new ATOM 0 HE ARG A 613 -14.544 -26.291 23.579 1.00 14.33 H new ATOM 0 HH11 ARG A 613 -11.167 -26.551 24.710 1.00 71.42 H new ATOM 0 HH12 ARG A 613 -11.598 -27.474 26.153 1.00 71.42 H new ATOM 0 HH21 ARG A 613 -15.080 -27.463 25.418 1.00 31.13 H new ATOM 0 HH22 ARG A 613 -13.832 -27.991 26.552 1.00 31.13 H new ATOM 1118 N ASN A 614 -13.154 -23.275 18.488 1.00 15.31 N ATOM 1119 CA ASN A 614 -13.839 -21.996 18.399 1.00 33.32 C ATOM 1120 C ASN A 614 -14.979 -22.103 17.384 1.00 14.13 C ATOM 1121 O ASN A 614 -16.056 -21.545 17.594 1.00 64.34 O ATOM 1122 CB ASN A 614 -12.889 -20.894 17.928 1.00 2.13 C ATOM 1123 CG ASN A 614 -11.908 -20.505 19.037 1.00 55.33 C ATOM 1124 OD1 ASN A 614 -12.137 -20.736 20.213 1.00 61.45 O ATOM 1125 ND2 ASN A 614 -10.807 -19.902 18.598 1.00 53.12 N ATOM 0 H ASN A 614 -12.195 -23.270 18.141 1.00 15.31 H new ATOM 0 HA ASN A 614 -14.217 -21.746 19.390 1.00 33.32 H new ATOM 0 HB2 ASN A 614 -12.337 -21.235 17.052 1.00 2.13 H new ATOM 0 HB3 ASN A 614 -13.464 -20.020 17.622 1.00 2.13 H new ATOM 0 HD21 ASN A 614 -10.091 -19.602 19.260 1.00 53.12 H new ATOM 0 HD22 ASN A 614 -10.678 -19.739 17.599 1.00 53.12 H new ATOM 1132 N CYS A 615 -14.704 -22.823 16.307 1.00 53.13 N ATOM 1133 CA CYS A 615 -15.693 -23.010 15.259 1.00 54.31 C ATOM 1134 C CYS A 615 -15.915 -24.512 15.069 1.00 4.33 C ATOM 1135 O CYS A 615 -16.918 -25.058 15.526 1.00 3.51 O ATOM 1136 CB CYS A 615 -15.274 -22.326 13.956 1.00 4.33 C ATOM 1137 SG CYS A 615 -13.961 -21.064 14.140 1.00 23.35 S ATOM 0 H CYS A 615 -13.810 -23.284 16.137 1.00 53.13 H new ATOM 0 HA CYS A 615 -16.631 -22.540 15.554 1.00 54.31 H new ATOM 0 HB2 CYS A 615 -14.931 -23.088 13.256 1.00 4.33 H new ATOM 0 HB3 CYS A 615 -16.151 -21.856 13.511 1.00 4.33 H new ATOM 0 HG CYS A 615 -13.268 -21.312 15.212 1.00 23.35 H new ATOM 1142 N GLY A 616 -14.961 -25.137 14.395 1.00 72.33 N ATOM 1143 CA GLY A 616 -15.039 -26.566 14.139 1.00 12.50 C ATOM 1144 C GLY A 616 -14.387 -26.919 12.801 1.00 75.52 C ATOM 1145 O GLY A 616 -14.062 -28.079 12.552 1.00 20.33 O ATOM 0 H GLY A 616 -14.130 -24.681 14.018 1.00 72.33 H new ATOM 0 HA2 GLY A 616 -14.545 -27.111 14.943 1.00 12.50 H new ATOM 0 HA3 GLY A 616 -16.082 -26.882 14.134 1.00 12.50 H new ATOM 1149 N GLU A 617 -14.216 -25.898 11.974 1.00 75.51 N ATOM 1150 CA GLU A 617 -13.609 -26.087 10.667 1.00 34.23 C ATOM 1151 C GLU A 617 -12.400 -27.018 10.773 1.00 3.14 C ATOM 1152 O GLU A 617 -11.328 -26.601 11.210 1.00 30.43 O ATOM 1153 CB GLU A 617 -13.216 -24.745 10.047 1.00 60.45 C ATOM 1154 CG GLU A 617 -13.050 -24.870 8.531 1.00 54.04 C ATOM 1155 CD GLU A 617 -14.407 -24.823 7.825 1.00 33.22 C ATOM 1156 OE1 GLU A 617 -15.325 -24.132 8.292 1.00 70.12 O ATOM 1157 OE2 GLU A 617 -14.490 -25.537 6.754 1.00 21.31 O ATOM 0 H GLU A 617 -14.487 -24.937 12.183 1.00 75.51 H new ATOM 0 HA GLU A 617 -14.344 -26.552 10.010 1.00 34.23 H new ATOM 0 HB2 GLU A 617 -13.978 -23.999 10.273 1.00 60.45 H new ATOM 0 HB3 GLU A 617 -12.284 -24.394 10.491 1.00 60.45 H new ATOM 0 HG2 GLU A 617 -12.417 -24.063 8.163 1.00 54.04 H new ATOM 0 HG3 GLU A 617 -12.544 -25.806 8.293 1.00 54.04 H new ATOM 1165 N VAL A 618 -12.612 -28.261 10.366 1.00 0.23 N ATOM 1166 CA VAL A 618 -11.552 -29.254 10.410 1.00 13.02 C ATOM 1167 C VAL A 618 -10.301 -28.688 9.737 1.00 44.05 C ATOM 1168 O VAL A 618 -10.324 -28.359 8.552 1.00 50.24 O ATOM 1169 CB VAL A 618 -12.033 -30.561 9.776 1.00 13.23 C ATOM 1170 CG1 VAL A 618 -10.853 -31.473 9.437 1.00 45.40 C ATOM 1171 CG2 VAL A 618 -13.034 -31.275 10.686 1.00 34.51 C ATOM 0 H VAL A 618 -13.502 -28.603 10.004 1.00 0.23 H new ATOM 0 HA VAL A 618 -11.289 -29.487 11.442 1.00 13.02 H new ATOM 0 HB VAL A 618 -12.543 -30.314 8.845 1.00 13.23 H new ATOM 0 HG11 VAL A 618 -11.223 -32.395 8.988 1.00 45.40 H new ATOM 0 HG12 VAL A 618 -10.192 -30.966 8.734 1.00 45.40 H new ATOM 0 HG13 VAL A 618 -10.302 -31.709 10.347 1.00 45.40 H new ATOM 0 HG21 VAL A 618 -13.360 -32.201 10.212 1.00 34.51 H new ATOM 0 HG22 VAL A 618 -12.560 -31.503 11.640 1.00 34.51 H new ATOM 0 HG23 VAL A 618 -13.897 -30.630 10.855 1.00 34.51 H new ATOM 1181 N TRP A 619 -9.237 -28.592 10.521 1.00 33.11 N ATOM 1182 CA TRP A 619 -7.978 -28.072 10.015 1.00 15.43 C ATOM 1183 C TRP A 619 -7.234 -29.219 9.329 1.00 52.32 C ATOM 1184 O TRP A 619 -6.374 -28.986 8.480 1.00 15.15 O ATOM 1185 CB TRP A 619 -7.166 -27.417 11.135 1.00 74.33 C ATOM 1186 CG TRP A 619 -7.746 -26.091 11.630 1.00 44.40 C ATOM 1187 CD1 TRP A 619 -8.568 -25.255 10.980 1.00 65.30 C ATOM 1188 CD2 TRP A 619 -7.512 -25.477 12.915 1.00 1.31 C ATOM 1189 NE1 TRP A 619 -8.879 -24.152 11.749 1.00 73.42 N ATOM 1190 CE2 TRP A 619 -8.217 -24.292 12.963 1.00 50.50 C ATOM 1191 CE3 TRP A 619 -6.731 -25.909 14.001 1.00 4.12 C ATOM 1192 CZ2 TRP A 619 -8.211 -23.441 14.075 1.00 54.54 C ATOM 1193 CZ3 TRP A 619 -6.735 -25.047 15.105 1.00 74.14 C ATOM 1194 CH2 TRP A 619 -7.440 -23.850 15.168 1.00 23.54 C ATOM 0 H TRP A 619 -9.221 -28.866 11.503 1.00 33.11 H new ATOM 0 HA TRP A 619 -8.153 -27.284 9.283 1.00 15.43 H new ATOM 0 HB2 TRP A 619 -7.100 -28.109 11.975 1.00 74.33 H new ATOM 0 HB3 TRP A 619 -6.149 -27.247 10.781 1.00 74.33 H new ATOM 0 HD1 TRP A 619 -8.940 -25.423 9.980 1.00 65.30 H new ATOM 0 HE1 TRP A 619 -9.483 -23.377 11.477 1.00 73.42 H new ATOM 0 HE3 TRP A 619 -6.172 -26.833 13.985 1.00 4.12 H new ATOM 0 HZ2 TRP A 619 -8.772 -22.518 14.088 1.00 54.54 H new ATOM 0 HZ3 TRP A 619 -6.150 -25.332 15.967 1.00 74.14 H new ATOM 0 HH2 TRP A 619 -7.392 -23.239 16.057 1.00 23.54 H new ATOM 1205 N GLY A 620 -7.592 -30.432 9.721 1.00 20.53 N ATOM 1206 CA GLY A 620 -6.969 -31.616 9.154 1.00 22.44 C ATOM 1207 C GLY A 620 -6.852 -32.728 10.199 1.00 24.02 C ATOM 1208 O GLY A 620 -7.860 -33.229 10.693 1.00 34.50 O ATOM 0 H GLY A 620 -8.306 -30.621 10.425 1.00 20.53 H new ATOM 0 HA2 GLY A 620 -7.556 -31.969 8.306 1.00 22.44 H new ATOM 0 HA3 GLY A 620 -5.979 -31.364 8.774 1.00 22.44 H new ATOM 1212 N LEU A 621 -5.612 -33.081 10.505 1.00 3.40 N ATOM 1213 CA LEU A 621 -5.350 -34.124 11.482 1.00 4.41 C ATOM 1214 C LEU A 621 -4.073 -33.784 12.254 1.00 30.12 C ATOM 1215 O LEU A 621 -3.269 -32.969 11.804 1.00 71.32 O ATOM 1216 CB LEU A 621 -5.312 -35.495 10.805 1.00 73.11 C ATOM 1217 CG LEU A 621 -3.981 -35.889 10.161 1.00 33.43 C ATOM 1218 CD1 LEU A 621 -3.477 -34.789 9.226 1.00 13.40 C ATOM 1219 CD2 LEU A 621 -2.945 -36.256 11.226 1.00 71.35 C ATOM 0 H LEU A 621 -4.778 -32.663 10.093 1.00 3.40 H new ATOM 0 HA LEU A 621 -6.159 -34.176 12.210 1.00 4.41 H new ATOM 0 HB2 LEU A 621 -5.572 -36.251 11.546 1.00 73.11 H new ATOM 0 HB3 LEU A 621 -6.086 -35.521 10.038 1.00 73.11 H new ATOM 0 HG LEU A 621 -4.146 -36.778 9.552 1.00 33.43 H new ATOM 0 HD11 LEU A 621 -2.530 -35.095 8.782 1.00 13.40 H new ATOM 0 HD12 LEU A 621 -4.209 -34.618 8.437 1.00 13.40 H new ATOM 0 HD13 LEU A 621 -3.332 -33.869 9.792 1.00 13.40 H new ATOM 0 HD21 LEU A 621 -2.008 -36.532 10.742 1.00 71.35 H new ATOM 0 HD22 LEU A 621 -2.777 -35.401 11.880 1.00 71.35 H new ATOM 0 HD23 LEU A 621 -3.311 -37.097 11.815 1.00 71.35 H new ATOM 1231 N GLN A 622 -3.927 -34.426 13.404 1.00 44.01 N ATOM 1232 CA GLN A 622 -2.761 -34.202 14.243 1.00 74.22 C ATOM 1233 C GLN A 622 -1.681 -35.241 13.938 1.00 25.32 C ATOM 1234 O GLN A 622 -1.978 -36.425 13.787 1.00 24.34 O ATOM 1235 CB GLN A 622 -3.141 -34.224 15.725 1.00 44.11 C ATOM 1236 CG GLN A 622 -2.335 -33.188 16.512 1.00 33.22 C ATOM 1237 CD GLN A 622 -2.128 -33.640 17.959 1.00 2.33 C ATOM 1238 OE1 GLN A 622 -1.084 -34.149 18.334 1.00 15.03 O ATOM 1239 NE2 GLN A 622 -3.176 -33.425 18.749 1.00 75.14 N ATOM 0 H GLN A 622 -4.596 -35.101 13.775 1.00 44.01 H new ATOM 0 HA GLN A 622 -2.360 -33.214 14.019 1.00 74.22 H new ATOM 0 HB2 GLN A 622 -4.206 -34.021 15.834 1.00 44.11 H new ATOM 0 HB3 GLN A 622 -2.962 -35.218 16.135 1.00 44.11 H new ATOM 0 HG2 GLN A 622 -1.368 -33.034 16.033 1.00 33.22 H new ATOM 0 HG3 GLN A 622 -2.854 -32.230 16.497 1.00 33.22 H new ATOM 0 HE21 GLN A 622 -4.020 -32.995 18.371 1.00 75.14 H new ATOM 0 HE22 GLN A 622 -3.136 -33.691 19.733 1.00 75.14 H new ATOM 1248 N MET A 623 -0.449 -34.760 13.857 1.00 64.53 N ATOM 1249 CA MET A 623 0.678 -35.633 13.573 1.00 41.03 C ATOM 1250 C MET A 623 1.694 -35.607 14.717 1.00 74.12 C ATOM 1251 O MET A 623 2.013 -34.543 15.244 1.00 0.22 O ATOM 1252 CB MET A 623 1.357 -35.185 12.277 1.00 41.20 C ATOM 1253 CG MET A 623 0.350 -35.109 11.128 1.00 54.21 C ATOM 1254 SD MET A 623 1.150 -35.520 9.586 1.00 33.03 S ATOM 1255 CE MET A 623 1.275 -37.292 9.765 1.00 51.31 C ATOM 0 H MET A 623 -0.206 -33.777 13.983 1.00 64.53 H new ATOM 0 HA MET A 623 0.306 -36.652 13.466 1.00 41.03 H new ATOM 0 HB2 MET A 623 1.821 -34.210 12.424 1.00 41.20 H new ATOM 0 HB3 MET A 623 2.155 -35.882 12.021 1.00 41.20 H new ATOM 0 HG2 MET A 623 -0.477 -35.795 11.312 1.00 54.21 H new ATOM 0 HG3 MET A 623 -0.074 -34.107 11.071 1.00 54.21 H new ATOM 0 HE1 MET A 623 1.537 -37.737 8.805 1.00 51.31 H new ATOM 0 HE2 MET A 623 2.046 -37.530 10.498 1.00 51.31 H new ATOM 0 HE3 MET A 623 0.318 -37.692 10.101 1.00 51.31 H new ATOM 1265 N ILE A 624 2.173 -36.792 15.067 1.00 12.30 N ATOM 1266 CA ILE A 624 3.146 -36.918 16.139 1.00 75.30 C ATOM 1267 C ILE A 624 4.501 -37.311 15.548 1.00 31.40 C ATOM 1268 O ILE A 624 4.582 -38.220 14.723 1.00 44.12 O ATOM 1269 CB ILE A 624 2.638 -37.885 17.211 1.00 5.11 C ATOM 1270 CG1 ILE A 624 1.242 -37.486 17.693 1.00 61.02 C ATOM 1271 CG2 ILE A 624 3.635 -37.993 18.367 1.00 14.34 C ATOM 1272 CD1 ILE A 624 0.158 -38.168 16.856 1.00 71.00 C ATOM 0 H ILE A 624 1.906 -37.673 14.628 1.00 12.30 H new ATOM 0 HA ILE A 624 3.284 -35.962 16.644 1.00 75.30 H new ATOM 0 HB ILE A 624 2.553 -38.876 16.765 1.00 5.11 H new ATOM 0 HG12 ILE A 624 1.123 -37.760 18.741 1.00 61.02 H new ATOM 0 HG13 ILE A 624 1.127 -36.404 17.631 1.00 61.02 H new ATOM 0 HG21 ILE A 624 3.251 -38.686 19.115 1.00 14.34 H new ATOM 0 HG22 ILE A 624 4.590 -38.359 17.991 1.00 14.34 H new ATOM 0 HG23 ILE A 624 3.775 -37.011 18.820 1.00 14.34 H new ATOM 0 HD11 ILE A 624 -0.825 -37.868 17.219 1.00 71.00 H new ATOM 0 HD12 ILE A 624 0.265 -37.873 15.812 1.00 71.00 H new ATOM 0 HD13 ILE A 624 0.261 -39.250 16.940 1.00 71.00 H new ATOM 1284 N TYR A 625 5.531 -36.608 15.993 1.00 3.45 N ATOM 1285 CA TYR A 625 6.879 -36.872 15.519 1.00 1.40 C ATOM 1286 C TYR A 625 7.884 -36.835 16.673 1.00 55.14 C ATOM 1287 O TYR A 625 8.066 -35.798 17.309 1.00 33.21 O ATOM 1288 CB TYR A 625 7.208 -35.746 14.536 1.00 21.22 C ATOM 1289 CG TYR A 625 8.706 -35.477 14.378 1.00 53.53 C ATOM 1290 CD1 TYR A 625 9.614 -36.500 14.557 1.00 0.15 C ATOM 1291 CD2 TYR A 625 9.148 -34.210 14.055 1.00 45.31 C ATOM 1292 CE1 TYR A 625 11.024 -36.246 14.408 1.00 34.04 C ATOM 1293 CE2 TYR A 625 10.558 -33.956 13.906 1.00 40.12 C ATOM 1294 CZ TYR A 625 11.426 -34.987 14.090 1.00 40.51 C ATOM 1295 OH TYR A 625 12.757 -34.747 13.949 1.00 3.20 O ATOM 0 H TYR A 625 5.460 -35.855 16.677 1.00 3.45 H new ATOM 0 HA TYR A 625 6.938 -37.859 15.060 1.00 1.40 H new ATOM 0 HB2 TYR A 625 6.789 -35.995 13.561 1.00 21.22 H new ATOM 0 HB3 TYR A 625 6.718 -34.831 14.870 1.00 21.22 H new ATOM 0 HD1 TYR A 625 9.268 -37.491 14.809 1.00 0.15 H new ATOM 0 HD2 TYR A 625 8.437 -33.409 13.914 1.00 45.31 H new ATOM 0 HE1 TYR A 625 11.745 -37.038 14.546 1.00 34.04 H new ATOM 0 HE2 TYR A 625 10.918 -32.969 13.654 1.00 40.12 H new ATOM 0 HH TYR A 625 12.897 -33.804 13.720 1.00 3.20 H new ATOM 1305 N LYS A 626 8.509 -37.979 16.907 1.00 30.10 N ATOM 1306 CA LYS A 626 9.490 -38.091 17.973 1.00 42.02 C ATOM 1307 C LYS A 626 8.847 -37.676 19.298 1.00 63.12 C ATOM 1308 O LYS A 626 9.544 -37.294 20.237 1.00 54.11 O ATOM 1309 CB LYS A 626 10.751 -37.297 17.626 1.00 41.32 C ATOM 1310 CG LYS A 626 11.769 -38.175 16.895 1.00 32.24 C ATOM 1311 CD LYS A 626 12.120 -39.412 17.724 1.00 25.15 C ATOM 1312 CE LYS A 626 12.135 -39.084 19.219 1.00 65.32 C ATOM 1313 NZ LYS A 626 13.157 -38.054 19.513 1.00 34.22 N ATOM 0 H LYS A 626 8.355 -38.837 16.377 1.00 30.10 H new ATOM 0 HA LYS A 626 9.814 -39.126 18.086 1.00 42.02 H new ATOM 0 HB2 LYS A 626 10.487 -36.443 17.002 1.00 41.32 H new ATOM 0 HB3 LYS A 626 11.197 -36.899 18.538 1.00 41.32 H new ATOM 0 HG2 LYS A 626 11.364 -38.482 15.931 1.00 32.24 H new ATOM 0 HG3 LYS A 626 12.672 -37.600 16.693 1.00 32.24 H new ATOM 0 HD2 LYS A 626 11.396 -40.203 17.529 1.00 25.15 H new ATOM 0 HD3 LYS A 626 13.096 -39.792 17.422 1.00 25.15 H new ATOM 0 HE2 LYS A 626 11.152 -38.729 19.529 1.00 65.32 H new ATOM 0 HE3 LYS A 626 12.344 -39.987 19.793 1.00 65.32 H new ATOM 0 HZ1 LYS A 626 13.862 -38.443 20.171 1.00 34.22 H new ATOM 0 HZ2 LYS A 626 13.627 -37.770 18.630 1.00 34.22 H new ATOM 0 HZ3 LYS A 626 12.700 -37.225 19.944 1.00 34.22 H new ATOM 1326 N SER A 627 7.526 -37.766 19.331 1.00 12.41 N ATOM 1327 CA SER A 627 6.781 -37.404 20.525 1.00 21.33 C ATOM 1328 C SER A 627 6.497 -35.901 20.530 1.00 51.01 C ATOM 1329 O SER A 627 6.613 -35.247 21.565 1.00 43.30 O ATOM 1330 CB SER A 627 7.542 -37.805 21.791 1.00 51.51 C ATOM 1331 OG SER A 627 8.395 -36.761 22.253 1.00 23.02 O ATOM 0 H SER A 627 6.952 -38.084 18.550 1.00 12.41 H new ATOM 0 HA SER A 627 5.835 -37.945 20.515 1.00 21.33 H new ATOM 0 HB2 SER A 627 6.831 -38.066 22.575 1.00 51.51 H new ATOM 0 HB3 SER A 627 8.136 -38.697 21.590 1.00 51.51 H new ATOM 0 HG SER A 627 9.160 -36.672 21.647 1.00 23.02 H new ATOM 1337 N VAL A 628 6.129 -35.397 19.361 1.00 64.10 N ATOM 1338 CA VAL A 628 5.828 -33.983 19.217 1.00 34.01 C ATOM 1339 C VAL A 628 4.452 -33.823 18.566 1.00 64.22 C ATOM 1340 O VAL A 628 4.272 -34.163 17.398 1.00 54.14 O ATOM 1341 CB VAL A 628 6.944 -33.287 18.436 1.00 53.51 C ATOM 1342 CG1 VAL A 628 6.542 -31.859 18.061 1.00 10.43 C ATOM 1343 CG2 VAL A 628 8.255 -33.299 19.224 1.00 13.55 C ATOM 0 H VAL A 628 6.033 -35.943 18.505 1.00 64.10 H new ATOM 0 HA VAL A 628 5.784 -33.500 20.193 1.00 34.01 H new ATOM 0 HB VAL A 628 7.104 -33.843 17.512 1.00 53.51 H new ATOM 0 HG11 VAL A 628 7.353 -31.386 17.507 1.00 10.43 H new ATOM 0 HG12 VAL A 628 5.645 -31.884 17.442 1.00 10.43 H new ATOM 0 HG13 VAL A 628 6.341 -31.288 18.967 1.00 10.43 H new ATOM 0 HG21 VAL A 628 9.032 -32.798 18.646 1.00 13.55 H new ATOM 0 HG22 VAL A 628 8.115 -32.778 20.171 1.00 13.55 H new ATOM 0 HG23 VAL A 628 8.554 -34.329 19.417 1.00 13.55 H new ATOM 1353 N LYS A 629 3.518 -33.306 19.350 1.00 2.11 N ATOM 1354 CA LYS A 629 2.165 -33.097 18.864 1.00 12.23 C ATOM 1355 C LYS A 629 2.140 -31.871 17.949 1.00 33.10 C ATOM 1356 O LYS A 629 2.119 -30.737 18.425 1.00 51.02 O ATOM 1357 CB LYS A 629 1.183 -33.011 20.035 1.00 51.35 C ATOM 1358 CG LYS A 629 1.283 -34.250 20.926 1.00 35.21 C ATOM 1359 CD LYS A 629 0.426 -35.392 20.376 1.00 55.13 C ATOM 1360 CE LYS A 629 -1.049 -35.191 20.731 1.00 70.01 C ATOM 1361 NZ LYS A 629 -1.298 -35.563 22.142 1.00 64.33 N ATOM 0 H LYS A 629 3.671 -33.026 20.319 1.00 2.11 H new ATOM 0 HA LYS A 629 1.839 -33.948 18.266 1.00 12.23 H new ATOM 0 HB2 LYS A 629 1.391 -32.118 20.624 1.00 51.35 H new ATOM 0 HB3 LYS A 629 0.166 -32.913 19.655 1.00 51.35 H new ATOM 0 HG2 LYS A 629 2.323 -34.571 20.993 1.00 35.21 H new ATOM 0 HG3 LYS A 629 0.960 -34.002 21.937 1.00 35.21 H new ATOM 0 HD2 LYS A 629 0.539 -35.447 19.293 1.00 55.13 H new ATOM 0 HD3 LYS A 629 0.775 -36.341 20.782 1.00 55.13 H new ATOM 0 HE2 LYS A 629 -1.330 -34.150 20.568 1.00 70.01 H new ATOM 0 HE3 LYS A 629 -1.673 -35.796 20.074 1.00 70.01 H new ATOM 0 HZ1 LYS A 629 -2.320 -35.535 22.333 1.00 64.33 H new ATOM 0 HZ2 LYS A 629 -0.940 -36.524 22.316 1.00 64.33 H new ATOM 0 HZ3 LYS A 629 -0.810 -34.892 22.769 1.00 64.33 H new ATOM 1374 N LEU A 630 2.143 -32.141 16.652 1.00 54.31 N ATOM 1375 CA LEU A 630 2.120 -31.074 15.666 1.00 44.14 C ATOM 1376 C LEU A 630 0.858 -31.202 14.810 1.00 25.21 C ATOM 1377 O LEU A 630 0.725 -32.146 14.032 1.00 13.43 O ATOM 1378 CB LEU A 630 3.417 -31.069 14.853 1.00 54.33 C ATOM 1379 CG LEU A 630 4.715 -31.141 15.659 1.00 34.55 C ATOM 1380 CD1 LEU A 630 5.935 -31.109 14.738 1.00 64.30 C ATOM 1381 CD2 LEU A 630 4.765 -30.037 16.717 1.00 5.00 C ATOM 0 H LEU A 630 2.161 -33.083 16.261 1.00 54.31 H new ATOM 0 HA LEU A 630 2.074 -30.102 16.157 1.00 44.14 H new ATOM 0 HB2 LEU A 630 3.394 -31.913 14.164 1.00 54.33 H new ATOM 0 HB3 LEU A 630 3.439 -30.163 14.247 1.00 54.33 H new ATOM 0 HG LEU A 630 4.737 -32.094 16.187 1.00 34.55 H new ATOM 0 HD11 LEU A 630 6.844 -31.161 15.337 1.00 64.30 H new ATOM 0 HD12 LEU A 630 5.899 -31.959 14.057 1.00 64.30 H new ATOM 0 HD13 LEU A 630 5.932 -30.183 14.163 1.00 64.30 H new ATOM 0 HD21 LEU A 630 5.698 -30.111 17.276 1.00 5.00 H new ATOM 0 HD22 LEU A 630 4.710 -29.063 16.230 1.00 5.00 H new ATOM 0 HD23 LEU A 630 3.923 -30.149 17.400 1.00 5.00 H new ATOM 1393 N PRO A 631 -0.059 -30.214 14.987 1.00 30.14 N ATOM 1394 CA PRO A 631 -1.306 -30.208 14.241 1.00 45.41 C ATOM 1395 C PRO A 631 -1.074 -29.780 12.790 1.00 2.43 C ATOM 1396 O PRO A 631 -0.331 -28.834 12.529 1.00 33.33 O ATOM 1397 CB PRO A 631 -2.215 -29.257 15.002 1.00 32.44 C ATOM 1398 CG PRO A 631 -1.300 -28.414 15.875 1.00 20.03 C ATOM 1399 CD PRO A 631 0.066 -29.081 15.900 1.00 75.13 C ATOM 0 HA PRO A 631 -1.758 -31.197 14.169 1.00 45.41 H new ATOM 0 HB2 PRO A 631 -2.787 -28.631 14.317 1.00 32.44 H new ATOM 0 HB3 PRO A 631 -2.935 -29.806 15.608 1.00 32.44 H new ATOM 0 HG2 PRO A 631 -1.223 -27.401 15.480 1.00 20.03 H new ATOM 0 HG3 PRO A 631 -1.704 -28.333 16.884 1.00 20.03 H new ATOM 0 HD2 PRO A 631 0.848 -28.395 15.575 1.00 75.13 H new ATOM 0 HD3 PRO A 631 0.328 -29.410 16.906 1.00 75.13 H new ATOM 1407 N VAL A 632 -1.723 -30.496 11.885 1.00 72.24 N ATOM 1408 CA VAL A 632 -1.597 -30.202 10.467 1.00 33.42 C ATOM 1409 C VAL A 632 -2.839 -29.443 9.996 1.00 51.10 C ATOM 1410 O VAL A 632 -3.876 -30.047 9.728 1.00 73.33 O ATOM 1411 CB VAL A 632 -1.354 -31.494 9.685 1.00 70.45 C ATOM 1412 CG1 VAL A 632 -1.740 -31.325 8.214 1.00 71.42 C ATOM 1413 CG2 VAL A 632 0.099 -31.953 9.821 1.00 44.40 C ATOM 0 H VAL A 632 -2.338 -31.279 12.105 1.00 72.24 H new ATOM 0 HA VAL A 632 -0.735 -29.560 10.285 1.00 33.42 H new ATOM 0 HB VAL A 632 -1.991 -32.269 10.112 1.00 70.45 H new ATOM 0 HG11 VAL A 632 -1.558 -32.258 7.680 1.00 71.42 H new ATOM 0 HG12 VAL A 632 -2.797 -31.067 8.142 1.00 71.42 H new ATOM 0 HG13 VAL A 632 -1.141 -30.530 7.770 1.00 71.42 H new ATOM 0 HG21 VAL A 632 0.244 -32.873 9.255 1.00 44.40 H new ATOM 0 HG22 VAL A 632 0.763 -31.180 9.433 1.00 44.40 H new ATOM 0 HG23 VAL A 632 0.327 -32.133 10.872 1.00 44.40 H new ATOM 1423 N LEU A 633 -2.693 -28.129 9.910 1.00 45.14 N ATOM 1424 CA LEU A 633 -3.789 -27.280 9.475 1.00 34.54 C ATOM 1425 C LEU A 633 -3.563 -26.867 8.020 1.00 73.12 C ATOM 1426 O LEU A 633 -2.502 -27.127 7.455 1.00 51.34 O ATOM 1427 CB LEU A 633 -3.963 -26.098 10.431 1.00 45.13 C ATOM 1428 CG LEU A 633 -3.721 -26.392 11.913 1.00 40.13 C ATOM 1429 CD1 LEU A 633 -3.962 -27.870 12.225 1.00 64.23 C ATOM 1430 CD2 LEU A 633 -2.325 -25.935 12.342 1.00 71.42 C ATOM 0 H LEU A 633 -1.831 -27.631 10.134 1.00 45.14 H new ATOM 0 HA LEU A 633 -4.731 -27.828 9.508 1.00 34.54 H new ATOM 0 HB2 LEU A 633 -3.283 -25.304 10.123 1.00 45.13 H new ATOM 0 HB3 LEU A 633 -4.976 -25.711 10.318 1.00 45.13 H new ATOM 0 HG LEU A 633 -4.441 -25.818 12.497 1.00 40.13 H new ATOM 0 HD11 LEU A 633 -3.783 -28.052 13.285 1.00 64.23 H new ATOM 0 HD12 LEU A 633 -4.992 -28.130 11.981 1.00 64.23 H new ATOM 0 HD13 LEU A 633 -3.283 -28.482 11.632 1.00 64.23 H new ATOM 0 HD21 LEU A 633 -2.179 -26.156 13.399 1.00 71.42 H new ATOM 0 HD22 LEU A 633 -1.573 -26.462 11.754 1.00 71.42 H new ATOM 0 HD23 LEU A 633 -2.227 -24.862 12.178 1.00 71.42 H new ATOM 1442 N LYS A 634 -4.579 -26.231 7.454 1.00 5.44 N ATOM 1443 CA LYS A 634 -4.504 -25.779 6.075 1.00 1.24 C ATOM 1444 C LYS A 634 -4.313 -24.261 6.050 1.00 20.01 C ATOM 1445 O LYS A 634 -3.980 -23.657 7.068 1.00 13.45 O ATOM 1446 CB LYS A 634 -5.725 -26.258 5.288 1.00 61.23 C ATOM 1447 CG LYS A 634 -6.184 -27.635 5.772 1.00 20.03 C ATOM 1448 CD LYS A 634 -7.486 -27.530 6.569 1.00 3.34 C ATOM 1449 CE LYS A 634 -8.588 -26.875 5.735 1.00 72.02 C ATOM 1450 NZ LYS A 634 -9.682 -27.837 5.475 1.00 34.34 N ATOM 0 H LYS A 634 -5.458 -26.018 7.925 1.00 5.44 H new ATOM 0 HA LYS A 634 -3.640 -26.218 5.576 1.00 1.24 H new ATOM 0 HB2 LYS A 634 -6.538 -25.540 5.399 1.00 61.23 H new ATOM 0 HB3 LYS A 634 -5.483 -26.304 4.226 1.00 61.23 H new ATOM 0 HG2 LYS A 634 -6.329 -28.295 4.917 1.00 20.03 H new ATOM 0 HG3 LYS A 634 -5.408 -28.083 6.393 1.00 20.03 H new ATOM 0 HD2 LYS A 634 -7.805 -28.524 6.884 1.00 3.34 H new ATOM 0 HD3 LYS A 634 -7.316 -26.948 7.475 1.00 3.34 H new ATOM 0 HE2 LYS A 634 -8.979 -26.003 6.259 1.00 72.02 H new ATOM 0 HE3 LYS A 634 -8.175 -26.520 4.790 1.00 72.02 H new ATOM 0 HZ1 LYS A 634 -10.430 -27.371 4.922 1.00 34.34 H new ATOM 0 HZ2 LYS A 634 -9.311 -28.649 4.941 1.00 34.34 H new ATOM 0 HZ3 LYS A 634 -10.075 -28.168 6.379 1.00 34.34 H new ATOM 1463 N VAL A 635 -4.532 -23.689 4.875 1.00 3.44 N ATOM 1464 CA VAL A 635 -4.388 -22.253 4.704 1.00 2.11 C ATOM 1465 C VAL A 635 -5.763 -21.634 4.445 1.00 60.32 C ATOM 1466 O VAL A 635 -6.009 -20.485 4.808 1.00 70.12 O ATOM 1467 CB VAL A 635 -3.380 -21.957 3.592 1.00 42.02 C ATOM 1468 CG1 VAL A 635 -1.981 -21.727 4.167 1.00 63.43 C ATOM 1469 CG2 VAL A 635 -3.368 -23.078 2.550 1.00 2.15 C ATOM 0 H VAL A 635 -4.808 -24.194 4.033 1.00 3.44 H new ATOM 0 HA VAL A 635 -3.993 -21.798 5.612 1.00 2.11 H new ATOM 0 HB VAL A 635 -3.692 -21.039 3.093 1.00 42.02 H new ATOM 0 HG11 VAL A 635 -1.284 -21.519 3.355 1.00 63.43 H new ATOM 0 HG12 VAL A 635 -2.004 -20.880 4.852 1.00 63.43 H new ATOM 0 HG13 VAL A 635 -1.657 -22.619 4.704 1.00 63.43 H new ATOM 0 HG21 VAL A 635 -2.643 -22.843 1.771 1.00 2.15 H new ATOM 0 HG22 VAL A 635 -3.093 -24.018 3.029 1.00 2.15 H new ATOM 0 HG23 VAL A 635 -4.359 -23.173 2.107 1.00 2.15 H new ATOM 1479 N ARG A 636 -6.623 -22.424 3.819 1.00 51.12 N ATOM 1480 CA ARG A 636 -7.967 -21.968 3.507 1.00 71.23 C ATOM 1481 C ARG A 636 -8.823 -21.932 4.774 1.00 10.23 C ATOM 1482 O ARG A 636 -9.980 -21.516 4.735 1.00 70.14 O ATOM 1483 CB ARG A 636 -8.633 -22.882 2.476 1.00 70.00 C ATOM 1484 CG ARG A 636 -8.767 -24.308 3.013 1.00 33.34 C ATOM 1485 CD ARG A 636 -9.514 -25.201 2.020 1.00 44.45 C ATOM 1486 NE ARG A 636 -10.951 -25.255 2.368 1.00 1.23 N ATOM 1487 CZ ARG A 636 -11.913 -25.723 1.544 1.00 4.24 C ATOM 1488 NH1 ARG A 636 -11.597 -26.182 0.315 1.00 54.14 N ATOM 1489 NH2 ARG A 636 -13.166 -25.725 1.959 1.00 4.44 N ATOM 0 H ARG A 636 -6.415 -23.377 3.520 1.00 51.12 H new ATOM 0 HA ARG A 636 -7.888 -20.964 3.089 1.00 71.23 H new ATOM 0 HB2 ARG A 636 -9.618 -22.491 2.221 1.00 70.00 H new ATOM 0 HB3 ARG A 636 -8.046 -22.889 1.558 1.00 70.00 H new ATOM 0 HG2 ARG A 636 -7.777 -24.722 3.206 1.00 33.34 H new ATOM 0 HG3 ARG A 636 -9.298 -24.293 3.965 1.00 33.34 H new ATOM 0 HD2 ARG A 636 -9.391 -24.815 1.008 1.00 44.45 H new ATOM 0 HD3 ARG A 636 -9.091 -26.205 2.032 1.00 44.45 H new ATOM 0 HE ARG A 636 -11.233 -24.917 3.288 1.00 1.23 H new ATOM 0 HH11 ARG A 636 -10.626 -26.177 0.003 1.00 54.14 H new ATOM 0 HH12 ARG A 636 -12.329 -26.534 -0.302 1.00 54.14 H new ATOM 0 HH21 ARG A 636 -13.396 -25.376 2.890 1.00 4.44 H new ATOM 0 HH22 ARG A 636 -13.905 -26.075 1.349 1.00 4.44 H new ATOM 1502 N SER A 637 -8.221 -22.373 5.869 1.00 12.32 N ATOM 1503 CA SER A 637 -8.914 -22.396 7.146 1.00 1.33 C ATOM 1504 C SER A 637 -8.250 -21.419 8.119 1.00 15.22 C ATOM 1505 O SER A 637 -8.799 -21.126 9.181 1.00 43.45 O ATOM 1506 CB SER A 637 -8.930 -23.806 7.739 1.00 62.22 C ATOM 1507 OG SER A 637 -7.672 -24.460 7.595 1.00 4.35 O ATOM 0 H SER A 637 -7.261 -22.717 5.898 1.00 12.32 H new ATOM 0 HA SER A 637 -9.947 -22.089 6.980 1.00 1.33 H new ATOM 0 HB2 SER A 637 -9.192 -23.752 8.796 1.00 62.22 H new ATOM 0 HB3 SER A 637 -9.704 -24.397 7.249 1.00 62.22 H new ATOM 0 HG SER A 637 -7.440 -24.911 8.434 1.00 4.35 H new ATOM 1513 N MET A 638 -7.080 -20.942 7.722 1.00 2.14 N ATOM 1514 CA MET A 638 -6.336 -20.004 8.546 1.00 63.10 C ATOM 1515 C MET A 638 -6.272 -18.625 7.886 1.00 74.10 C ATOM 1516 O MET A 638 -5.989 -18.516 6.694 1.00 3.11 O ATOM 1517 CB MET A 638 -4.916 -20.531 8.765 1.00 72.23 C ATOM 1518 CG MET A 638 -4.933 -21.834 9.566 1.00 23.42 C ATOM 1519 SD MET A 638 -5.177 -21.482 11.299 1.00 62.30 S ATOM 1520 CE MET A 638 -6.797 -22.194 11.535 1.00 41.33 C ATOM 0 H MET A 638 -6.629 -21.187 6.841 1.00 2.14 H new ATOM 0 HA MET A 638 -6.848 -19.905 9.503 1.00 63.10 H new ATOM 0 HB2 MET A 638 -4.434 -20.698 7.802 1.00 72.23 H new ATOM 0 HB3 MET A 638 -4.324 -19.783 9.293 1.00 72.23 H new ATOM 0 HG2 MET A 638 -5.729 -22.483 9.203 1.00 23.42 H new ATOM 0 HG3 MET A 638 -3.995 -22.370 9.424 1.00 23.42 H new ATOM 0 HE1 MET A 638 -7.394 -21.539 12.170 1.00 41.33 H new ATOM 0 HE2 MET A 638 -7.288 -22.309 10.569 1.00 41.33 H new ATOM 0 HE3 MET A 638 -6.700 -23.170 12.011 1.00 41.33 H new ATOM 1530 N LEU A 639 -6.541 -17.607 8.690 1.00 54.23 N ATOM 1531 CA LEU A 639 -6.519 -16.239 8.199 1.00 64.43 C ATOM 1532 C LEU A 639 -5.322 -15.504 8.805 1.00 21.15 C ATOM 1533 O LEU A 639 -5.289 -15.251 10.009 1.00 71.52 O ATOM 1534 CB LEU A 639 -7.860 -15.553 8.462 1.00 33.03 C ATOM 1535 CG LEU A 639 -8.319 -14.548 7.404 1.00 43.50 C ATOM 1536 CD1 LEU A 639 -9.844 -14.434 7.380 1.00 72.22 C ATOM 1537 CD2 LEU A 639 -7.646 -13.189 7.611 1.00 52.12 C ATOM 0 H LEU A 639 -6.775 -17.702 9.678 1.00 54.23 H new ATOM 0 HA LEU A 639 -6.388 -16.225 7.117 1.00 64.43 H new ATOM 0 HB2 LEU A 639 -8.626 -16.322 8.560 1.00 33.03 H new ATOM 0 HB3 LEU A 639 -7.800 -15.039 9.421 1.00 33.03 H new ATOM 0 HG LEU A 639 -8.009 -14.916 6.426 1.00 43.50 H new ATOM 0 HD11 LEU A 639 -10.143 -13.713 6.619 1.00 72.22 H new ATOM 0 HD12 LEU A 639 -10.278 -15.407 7.149 1.00 72.22 H new ATOM 0 HD13 LEU A 639 -10.199 -14.101 8.355 1.00 72.22 H new ATOM 0 HD21 LEU A 639 -7.989 -12.493 6.846 1.00 52.12 H new ATOM 0 HD22 LEU A 639 -7.904 -12.801 8.597 1.00 52.12 H new ATOM 0 HD23 LEU A 639 -6.565 -13.304 7.538 1.00 52.12 H new ATOM 1549 N LEU A 640 -4.368 -15.181 7.945 1.00 61.34 N ATOM 1550 CA LEU A 640 -3.172 -14.480 8.381 1.00 74.03 C ATOM 1551 C LEU A 640 -3.485 -12.990 8.527 1.00 53.53 C ATOM 1552 O LEU A 640 -3.736 -12.304 7.536 1.00 22.34 O ATOM 1553 CB LEU A 640 -2.005 -14.774 7.437 1.00 44.32 C ATOM 1554 CG LEU A 640 -1.460 -16.203 7.468 1.00 24.15 C ATOM 1555 CD1 LEU A 640 -0.756 -16.492 8.796 1.00 60.22 C ATOM 1556 CD2 LEU A 640 -2.566 -17.218 7.173 1.00 24.20 C ATOM 0 H LEU A 640 -4.399 -15.392 6.947 1.00 61.34 H new ATOM 0 HA LEU A 640 -2.856 -14.837 9.361 1.00 74.03 H new ATOM 0 HB2 LEU A 640 -2.322 -14.549 6.419 1.00 44.32 H new ATOM 0 HB3 LEU A 640 -1.190 -14.090 7.675 1.00 44.32 H new ATOM 0 HG LEU A 640 -0.714 -16.302 6.679 1.00 24.15 H new ATOM 0 HD11 LEU A 640 -0.378 -17.514 8.792 1.00 60.22 H new ATOM 0 HD12 LEU A 640 0.075 -15.798 8.926 1.00 60.22 H new ATOM 0 HD13 LEU A 640 -1.463 -16.370 9.617 1.00 60.22 H new ATOM 0 HD21 LEU A 640 -2.152 -18.226 7.201 1.00 24.20 H new ATOM 0 HD22 LEU A 640 -3.352 -17.128 7.923 1.00 24.20 H new ATOM 0 HD23 LEU A 640 -2.983 -17.025 6.185 1.00 24.20 H new ATOM 1568 N GLU A 641 -3.461 -12.531 9.770 1.00 63.34 N ATOM 1569 CA GLU A 641 -3.739 -11.135 10.058 1.00 43.41 C ATOM 1570 C GLU A 641 -2.549 -10.262 9.653 1.00 50.12 C ATOM 1571 O GLU A 641 -1.401 -10.605 9.929 1.00 45.00 O ATOM 1572 CB GLU A 641 -4.085 -10.938 11.535 1.00 21.02 C ATOM 1573 CG GLU A 641 -5.555 -10.552 11.707 1.00 13.21 C ATOM 1574 CD GLU A 641 -5.816 -9.998 13.109 1.00 35.55 C ATOM 1575 OE1 GLU A 641 -4.889 -9.924 13.929 1.00 31.02 O ATOM 1576 OE2 GLU A 641 -7.034 -9.637 13.335 1.00 32.20 O ATOM 0 H GLU A 641 -3.253 -13.102 10.589 1.00 63.34 H new ATOM 0 HA GLU A 641 -4.606 -10.829 9.472 1.00 43.41 H new ATOM 0 HB2 GLU A 641 -3.880 -11.856 12.086 1.00 21.02 H new ATOM 0 HB3 GLU A 641 -3.449 -10.162 11.961 1.00 21.02 H new ATOM 0 HG2 GLU A 641 -5.829 -9.806 10.961 1.00 13.21 H new ATOM 0 HG3 GLU A 641 -6.186 -11.423 11.533 1.00 13.21 H new ATOM 1584 N THR A 642 -2.865 -9.151 9.004 1.00 1.44 N ATOM 1585 CA THR A 642 -1.836 -8.226 8.558 1.00 32.25 C ATOM 1586 C THR A 642 -2.305 -6.781 8.736 1.00 50.31 C ATOM 1587 O THR A 642 -3.504 -6.519 8.818 1.00 1.20 O ATOM 1588 CB THR A 642 -1.481 -8.577 7.112 1.00 5.53 C ATOM 1589 OG1 THR A 642 -2.539 -8.008 6.347 1.00 54.12 O ATOM 1590 CG2 THR A 642 -1.582 -10.077 6.831 1.00 22.13 C ATOM 0 H THR A 642 -3.819 -8.870 8.776 1.00 1.44 H new ATOM 0 HA THR A 642 -0.933 -8.317 9.161 1.00 32.25 H new ATOM 0 HB THR A 642 -0.469 -8.235 6.894 1.00 5.53 H new ATOM 0 HG1 THR A 642 -3.103 -8.723 5.985 1.00 54.12 H new ATOM 0 HG21 THR A 642 -1.320 -10.271 5.791 1.00 22.13 H new ATOM 0 HG22 THR A 642 -0.897 -10.617 7.485 1.00 22.13 H new ATOM 0 HG23 THR A 642 -2.602 -10.414 7.017 1.00 22.13 H new ATOM 1598 N PRO A 643 -1.309 -5.856 8.791 1.00 30.31 N ATOM 1599 CA PRO A 643 -1.607 -4.444 8.957 1.00 12.03 C ATOM 1600 C PRO A 643 -2.143 -3.840 7.658 1.00 42.05 C ATOM 1601 O PRO A 643 -2.757 -2.775 7.671 1.00 53.51 O ATOM 1602 CB PRO A 643 -0.299 -3.816 9.409 1.00 22.12 C ATOM 1603 CG PRO A 643 0.791 -4.807 9.033 1.00 72.00 C ATOM 1604 CD PRO A 643 0.122 -6.130 8.697 1.00 10.03 C ATOM 0 HA PRO A 643 -2.394 -4.264 9.690 1.00 12.03 H new ATOM 0 HB2 PRO A 643 -0.138 -2.855 8.921 1.00 22.12 H new ATOM 0 HB3 PRO A 643 -0.305 -3.631 10.483 1.00 22.12 H new ATOM 0 HG2 PRO A 643 1.362 -4.441 8.180 1.00 72.00 H new ATOM 0 HG3 PRO A 643 1.493 -4.933 9.857 1.00 72.00 H new ATOM 0 HD2 PRO A 643 0.395 -6.470 7.698 1.00 10.03 H new ATOM 0 HD3 PRO A 643 0.422 -6.913 9.393 1.00 10.03 H new ATOM 1612 N GLN A 644 -1.890 -4.547 6.566 1.00 53.01 N ATOM 1613 CA GLN A 644 -2.340 -4.094 5.260 1.00 24.13 C ATOM 1614 C GLN A 644 -3.749 -4.616 4.974 1.00 40.25 C ATOM 1615 O GLN A 644 -4.369 -4.228 3.984 1.00 1.15 O ATOM 1616 CB GLN A 644 -1.362 -4.524 4.165 1.00 72.14 C ATOM 1617 CG GLN A 644 0.074 -4.552 4.691 1.00 21.31 C ATOM 1618 CD GLN A 644 1.076 -4.698 3.544 1.00 52.22 C ATOM 1619 OE1 GLN A 644 1.276 -3.800 2.743 1.00 41.24 O ATOM 1620 NE2 GLN A 644 1.692 -5.876 3.510 1.00 41.11 N ATOM 0 H GLN A 644 -1.379 -5.430 6.559 1.00 53.01 H new ATOM 0 HA GLN A 644 -2.372 -3.004 5.265 1.00 24.13 H new ATOM 0 HB2 GLN A 644 -1.637 -5.512 3.795 1.00 72.14 H new ATOM 0 HB3 GLN A 644 -1.430 -3.837 3.321 1.00 72.14 H new ATOM 0 HG2 GLN A 644 0.280 -3.636 5.244 1.00 21.31 H new ATOM 0 HG3 GLN A 644 0.193 -5.380 5.390 1.00 21.31 H new ATOM 0 HE21 GLN A 644 1.477 -6.584 4.212 1.00 41.11 H new ATOM 0 HE22 GLN A 644 2.379 -6.071 2.782 1.00 41.11 H new ATOM 1629 N GLY A 645 -4.214 -5.487 5.856 1.00 21.44 N ATOM 1630 CA GLY A 645 -5.539 -6.066 5.710 1.00 24.35 C ATOM 1631 C GLY A 645 -5.476 -7.595 5.741 1.00 45.32 C ATOM 1632 O GLY A 645 -4.611 -8.197 5.105 1.00 14.41 O ATOM 0 H GLY A 645 -3.697 -5.807 6.675 1.00 21.44 H new ATOM 0 HA2 GLY A 645 -6.186 -5.709 6.511 1.00 24.35 H new ATOM 0 HA3 GLY A 645 -5.983 -5.736 4.771 1.00 24.35 H new ATOM 1636 N ARG A 646 -6.402 -8.179 6.486 1.00 13.30 N ATOM 1637 CA ARG A 646 -6.463 -9.625 6.608 1.00 61.45 C ATOM 1638 C ARG A 646 -6.276 -10.281 5.238 1.00 74.41 C ATOM 1639 O ARG A 646 -6.598 -9.685 4.211 1.00 23.02 O ATOM 1640 CB ARG A 646 -7.800 -10.073 7.202 1.00 42.32 C ATOM 1641 CG ARG A 646 -7.686 -10.279 8.714 1.00 72.24 C ATOM 1642 CD ARG A 646 -9.070 -10.351 9.363 1.00 41.13 C ATOM 1643 NE ARG A 646 -9.880 -9.180 8.959 1.00 62.14 N ATOM 1644 CZ ARG A 646 -9.835 -7.980 9.575 1.00 15.11 C ATOM 1645 NH1 ARG A 646 -9.018 -7.782 10.631 1.00 13.03 N ATOM 1646 NH2 ARG A 646 -10.603 -7.003 9.130 1.00 52.22 N ATOM 0 H ARG A 646 -7.117 -7.676 7.012 1.00 13.30 H new ATOM 0 HA ARG A 646 -5.660 -9.935 7.277 1.00 61.45 H new ATOM 0 HB2 ARG A 646 -8.565 -9.326 6.990 1.00 42.32 H new ATOM 0 HB3 ARG A 646 -8.120 -11.001 6.728 1.00 42.32 H new ATOM 0 HG2 ARG A 646 -7.136 -11.197 8.919 1.00 72.24 H new ATOM 0 HG3 ARG A 646 -7.116 -9.461 9.154 1.00 72.24 H new ATOM 0 HD2 ARG A 646 -9.573 -11.271 9.066 1.00 41.13 H new ATOM 0 HD3 ARG A 646 -8.971 -10.378 10.448 1.00 41.13 H new ATOM 0 HE ARG A 646 -10.512 -9.287 8.165 1.00 62.14 H new ATOM 0 HH11 ARG A 646 -8.428 -8.542 10.969 1.00 13.03 H new ATOM 0 HH12 ARG A 646 -8.990 -6.872 11.091 1.00 13.03 H new ATOM 0 HH21 ARG A 646 -11.218 -7.161 8.332 1.00 52.22 H new ATOM 0 HH22 ARG A 646 -10.581 -6.090 9.584 1.00 52.22 H new ATOM 1659 N ILE A 647 -5.758 -11.500 5.267 1.00 71.43 N ATOM 1660 CA ILE A 647 -5.525 -12.244 4.040 1.00 11.31 C ATOM 1661 C ILE A 647 -6.005 -13.685 4.223 1.00 2.05 C ATOM 1662 O ILE A 647 -5.799 -14.282 5.279 1.00 10.11 O ATOM 1663 CB ILE A 647 -4.059 -12.133 3.617 1.00 51.44 C ATOM 1664 CG1 ILE A 647 -3.702 -10.690 3.251 1.00 23.45 C ATOM 1665 CG2 ILE A 647 -3.741 -13.107 2.481 1.00 73.14 C ATOM 1666 CD1 ILE A 647 -2.214 -10.419 3.484 1.00 50.41 C ATOM 0 H ILE A 647 -5.493 -11.991 6.121 1.00 71.43 H new ATOM 0 HA ILE A 647 -6.103 -11.817 3.220 1.00 11.31 H new ATOM 0 HB ILE A 647 -3.436 -12.414 4.466 1.00 51.44 H new ATOM 0 HG12 ILE A 647 -3.950 -10.504 2.206 1.00 23.45 H new ATOM 0 HG13 ILE A 647 -4.299 -10.001 3.848 1.00 23.45 H new ATOM 0 HG21 ILE A 647 -2.693 -13.008 2.199 1.00 73.14 H new ATOM 0 HG22 ILE A 647 -3.933 -14.128 2.812 1.00 73.14 H new ATOM 0 HG23 ILE A 647 -4.371 -12.881 1.621 1.00 73.14 H new ATOM 0 HD11 ILE A 647 -1.986 -9.387 3.217 1.00 50.41 H new ATOM 0 HD12 ILE A 647 -1.974 -10.583 4.535 1.00 50.41 H new ATOM 0 HD13 ILE A 647 -1.620 -11.094 2.867 1.00 50.41 H new ATOM 1678 N GLN A 648 -6.635 -14.202 3.179 1.00 32.43 N ATOM 1679 CA GLN A 648 -7.146 -15.562 3.212 1.00 63.41 C ATOM 1680 C GLN A 648 -6.766 -16.303 1.928 1.00 2.10 C ATOM 1681 O GLN A 648 -7.291 -16.004 0.857 1.00 61.55 O ATOM 1682 CB GLN A 648 -8.661 -15.574 3.424 1.00 61.34 C ATOM 1683 CG GLN A 648 -9.087 -16.776 4.270 1.00 1.41 C ATOM 1684 CD GLN A 648 -9.722 -17.862 3.400 1.00 55.32 C ATOM 1685 OE1 GLN A 648 -10.754 -17.670 2.777 1.00 44.44 O ATOM 1686 NE2 GLN A 648 -9.052 -19.010 3.392 1.00 23.21 N ATOM 0 H GLN A 648 -6.803 -13.704 2.305 1.00 32.43 H new ATOM 0 HA GLN A 648 -6.690 -16.080 4.056 1.00 63.41 H new ATOM 0 HB2 GLN A 648 -8.970 -14.651 3.915 1.00 61.34 H new ATOM 0 HB3 GLN A 648 -9.167 -15.607 2.459 1.00 61.34 H new ATOM 0 HG2 GLN A 648 -8.221 -17.183 4.792 1.00 1.41 H new ATOM 0 HG3 GLN A 648 -9.797 -16.455 5.033 1.00 1.41 H new ATOM 0 HE21 GLN A 648 -8.194 -19.104 3.936 1.00 23.21 H new ATOM 0 HE22 GLN A 648 -9.395 -19.797 2.842 1.00 23.21 H new ATOM 1695 N ALA A 649 -5.856 -17.254 2.079 1.00 71.43 N ATOM 1696 CA ALA A 649 -5.400 -18.040 0.945 1.00 42.24 C ATOM 1697 C ALA A 649 -5.713 -19.517 1.194 1.00 44.43 C ATOM 1698 O ALA A 649 -6.089 -19.897 2.301 1.00 15.21 O ATOM 1699 CB ALA A 649 -3.907 -17.790 0.718 1.00 74.11 C ATOM 0 H ALA A 649 -5.422 -17.498 2.969 1.00 71.43 H new ATOM 0 HA ALA A 649 -5.923 -17.742 0.036 1.00 42.24 H new ATOM 0 HB1 ALA A 649 -3.565 -18.379 -0.133 1.00 74.11 H new ATOM 0 HB2 ALA A 649 -3.742 -16.732 0.516 1.00 74.11 H new ATOM 0 HB3 ALA A 649 -3.350 -18.081 1.609 1.00 74.11 H new ATOM 1705 N LYS A 650 -5.545 -20.309 0.145 1.00 23.13 N ATOM 1706 CA LYS A 650 -5.804 -21.736 0.236 1.00 15.23 C ATOM 1707 C LYS A 650 -4.503 -22.503 -0.006 1.00 72.22 C ATOM 1708 O LYS A 650 -4.469 -23.727 0.111 1.00 71.21 O ATOM 1709 CB LYS A 650 -6.939 -22.135 -0.709 1.00 33.20 C ATOM 1710 CG LYS A 650 -7.970 -21.011 -0.834 1.00 64.14 C ATOM 1711 CD LYS A 650 -9.355 -21.571 -1.165 1.00 24.11 C ATOM 1712 CE LYS A 650 -9.862 -21.026 -2.501 1.00 41.43 C ATOM 1713 NZ LYS A 650 -11.314 -21.275 -2.645 1.00 42.51 N ATOM 0 H LYS A 650 -5.233 -19.990 -0.772 1.00 23.13 H new ATOM 0 HA LYS A 650 -6.147 -21.998 1.237 1.00 15.23 H new ATOM 0 HB2 LYS A 650 -6.532 -22.371 -1.692 1.00 33.20 H new ATOM 0 HB3 LYS A 650 -7.424 -23.039 -0.339 1.00 33.20 H new ATOM 0 HG2 LYS A 650 -8.015 -20.448 0.099 1.00 64.14 H new ATOM 0 HG3 LYS A 650 -7.660 -20.314 -1.612 1.00 64.14 H new ATOM 0 HD2 LYS A 650 -9.311 -22.659 -1.205 1.00 24.11 H new ATOM 0 HD3 LYS A 650 -10.056 -21.310 -0.372 1.00 24.11 H new ATOM 0 HE2 LYS A 650 -9.663 -19.956 -2.563 1.00 41.43 H new ATOM 0 HE3 LYS A 650 -9.323 -21.499 -3.322 1.00 41.43 H new ATOM 0 HZ1 LYS A 650 -11.642 -20.899 -3.557 1.00 42.51 H new ATOM 0 HZ2 LYS A 650 -11.496 -22.298 -2.607 1.00 42.51 H new ATOM 0 HZ3 LYS A 650 -11.825 -20.803 -1.872 1.00 42.51 H new ATOM 1726 N LYS A 651 -3.464 -21.752 -0.340 1.00 31.01 N ATOM 1727 CA LYS A 651 -2.164 -22.346 -0.600 1.00 21.21 C ATOM 1728 C LYS A 651 -1.102 -21.621 0.229 1.00 44.04 C ATOM 1729 O LYS A 651 -1.069 -20.392 0.264 1.00 52.11 O ATOM 1730 CB LYS A 651 -1.871 -22.358 -2.102 1.00 3.45 C ATOM 1731 CG LYS A 651 -3.129 -22.697 -2.903 1.00 62.43 C ATOM 1732 CD LYS A 651 -3.958 -21.442 -3.181 1.00 45.33 C ATOM 1733 CE LYS A 651 -3.561 -20.807 -4.516 1.00 24.23 C ATOM 1734 NZ LYS A 651 -4.371 -21.370 -5.619 1.00 15.14 N ATOM 0 H LYS A 651 -3.496 -20.737 -0.437 1.00 31.01 H new ATOM 0 HA LYS A 651 -2.153 -23.391 -0.289 1.00 21.21 H new ATOM 0 HB2 LYS A 651 -1.491 -21.384 -2.410 1.00 3.45 H new ATOM 0 HB3 LYS A 651 -1.090 -23.087 -2.318 1.00 3.45 H new ATOM 0 HG2 LYS A 651 -2.848 -23.168 -3.845 1.00 62.43 H new ATOM 0 HG3 LYS A 651 -3.731 -23.420 -2.352 1.00 62.43 H new ATOM 0 HD2 LYS A 651 -5.017 -21.698 -3.197 1.00 45.33 H new ATOM 0 HD3 LYS A 651 -3.816 -20.722 -2.375 1.00 45.33 H new ATOM 0 HE2 LYS A 651 -3.702 -19.727 -4.468 1.00 24.23 H new ATOM 0 HE3 LYS A 651 -2.502 -20.982 -4.708 1.00 24.23 H new ATOM 0 HZ1 LYS A 651 -4.089 -20.928 -6.517 1.00 15.14 H new ATOM 0 HZ2 LYS A 651 -4.216 -22.397 -5.674 1.00 15.14 H new ATOM 0 HZ3 LYS A 651 -5.378 -21.181 -5.442 1.00 15.14 H new ATOM 1747 N TRP A 652 -0.258 -22.413 0.875 1.00 55.22 N ATOM 1748 CA TRP A 652 0.802 -21.862 1.701 1.00 43.53 C ATOM 1749 C TRP A 652 1.768 -21.104 0.787 1.00 70.42 C ATOM 1750 O TRP A 652 2.607 -20.340 1.261 1.00 14.32 O ATOM 1751 CB TRP A 652 1.488 -22.959 2.517 1.00 40.11 C ATOM 1752 CG TRP A 652 0.549 -23.710 3.463 1.00 73.03 C ATOM 1753 CD1 TRP A 652 -0.301 -24.703 3.165 1.00 1.42 C ATOM 1754 CD2 TRP A 652 0.398 -23.487 4.881 1.00 74.14 C ATOM 1755 NE1 TRP A 652 -0.986 -25.134 4.283 1.00 61.11 N ATOM 1756 CE2 TRP A 652 -0.547 -24.371 5.359 1.00 34.52 C ATOM 1757 CE3 TRP A 652 1.039 -22.569 5.731 1.00 54.34 C ATOM 1758 CZ2 TRP A 652 -0.937 -24.424 6.703 1.00 63.41 C ATOM 1759 CZ3 TRP A 652 0.638 -22.634 7.071 1.00 63.34 C ATOM 1760 CH2 TRP A 652 -0.312 -23.519 7.568 1.00 3.42 C ATOM 0 H TRP A 652 -0.287 -23.432 0.843 1.00 55.22 H new ATOM 0 HA TRP A 652 0.397 -21.165 2.434 1.00 43.53 H new ATOM 0 HB2 TRP A 652 1.946 -23.674 1.833 1.00 40.11 H new ATOM 0 HB3 TRP A 652 2.294 -22.514 3.100 1.00 40.11 H new ATOM 0 HD1 TRP A 652 -0.433 -25.114 2.175 1.00 1.42 H new ATOM 0 HE1 TRP A 652 -1.685 -25.876 4.314 1.00 61.11 H new ATOM 0 HE3 TRP A 652 1.782 -21.869 5.378 1.00 54.34 H new ATOM 0 HZ2 TRP A 652 -1.680 -25.125 7.053 1.00 63.41 H new ATOM 0 HZ3 TRP A 652 1.099 -21.949 7.767 1.00 63.34 H new ATOM 0 HH2 TRP A 652 -0.567 -23.508 8.618 1.00 3.42 H new ATOM 1771 N SER A 653 1.618 -21.344 -0.508 1.00 13.44 N ATOM 1772 CA SER A 653 2.466 -20.694 -1.492 1.00 40.22 C ATOM 1773 C SER A 653 2.140 -19.200 -1.559 1.00 63.35 C ATOM 1774 O SER A 653 2.899 -18.421 -2.134 1.00 22.03 O ATOM 1775 CB SER A 653 2.301 -21.336 -2.871 1.00 54.31 C ATOM 1776 OG SER A 653 3.305 -20.904 -3.785 1.00 3.01 O ATOM 0 H SER A 653 0.922 -21.979 -0.898 1.00 13.44 H new ATOM 0 HA SER A 653 3.504 -20.819 -1.185 1.00 40.22 H new ATOM 0 HB2 SER A 653 2.343 -22.421 -2.773 1.00 54.31 H new ATOM 0 HB3 SER A 653 1.317 -21.089 -3.270 1.00 54.31 H new ATOM 0 HG SER A 653 3.527 -19.966 -3.608 1.00 3.01 H new ATOM 1782 N ARG A 654 1.011 -18.846 -0.965 1.00 34.45 N ATOM 1783 CA ARG A 654 0.575 -17.460 -0.950 1.00 21.24 C ATOM 1784 C ARG A 654 0.848 -16.833 0.419 1.00 43.42 C ATOM 1785 O ARG A 654 0.955 -15.613 0.536 1.00 11.11 O ATOM 1786 CB ARG A 654 -0.918 -17.349 -1.265 1.00 42.42 C ATOM 1787 CG ARG A 654 -1.303 -18.268 -2.426 1.00 41.43 C ATOM 1788 CD ARG A 654 -0.658 -17.800 -3.733 1.00 22.43 C ATOM 1789 NE ARG A 654 -1.666 -17.127 -4.582 1.00 65.22 N ATOM 1790 CZ ARG A 654 -1.362 -16.321 -5.622 1.00 32.31 C ATOM 1791 NH1 ARG A 654 -0.075 -16.081 -5.950 1.00 2.03 N ATOM 1792 NH2 ARG A 654 -2.343 -15.772 -6.313 1.00 53.41 N ATOM 0 H ARG A 654 0.384 -19.495 -0.490 1.00 34.45 H new ATOM 0 HA ARG A 654 1.137 -16.927 -1.717 1.00 21.24 H new ATOM 0 HB2 ARG A 654 -1.500 -17.610 -0.381 1.00 42.42 H new ATOM 0 HB3 ARG A 654 -1.165 -16.317 -1.516 1.00 42.42 H new ATOM 0 HG2 ARG A 654 -0.989 -19.288 -2.206 1.00 41.43 H new ATOM 0 HG3 ARG A 654 -2.387 -18.285 -2.537 1.00 41.43 H new ATOM 0 HD2 ARG A 654 0.164 -17.117 -3.518 1.00 22.43 H new ATOM 0 HD3 ARG A 654 -0.233 -18.652 -4.264 1.00 22.43 H new ATOM 0 HE ARG A 654 -2.651 -17.281 -4.368 1.00 65.22 H new ATOM 0 HH11 ARG A 654 0.677 -16.510 -5.411 1.00 2.03 H new ATOM 0 HH12 ARG A 654 0.145 -15.471 -6.737 1.00 2.03 H new ATOM 0 HH21 ARG A 654 -3.313 -15.959 -6.059 1.00 53.41 H new ATOM 0 HH22 ARG A 654 -2.131 -15.161 -7.102 1.00 53.41 H new ATOM 1805 N VAL A 655 0.954 -17.695 1.419 1.00 10.22 N ATOM 1806 CA VAL A 655 1.213 -17.240 2.775 1.00 72.22 C ATOM 1807 C VAL A 655 2.230 -16.098 2.740 1.00 41.15 C ATOM 1808 O VAL A 655 3.275 -16.212 2.101 1.00 23.34 O ATOM 1809 CB VAL A 655 1.664 -18.416 3.644 1.00 52.21 C ATOM 1810 CG1 VAL A 655 2.613 -17.948 4.749 1.00 63.33 C ATOM 1811 CG2 VAL A 655 0.461 -19.156 4.232 1.00 72.33 C ATOM 0 H VAL A 655 0.865 -18.706 1.318 1.00 10.22 H new ATOM 0 HA VAL A 655 0.302 -16.849 3.227 1.00 72.22 H new ATOM 0 HB VAL A 655 2.208 -19.114 3.008 1.00 52.21 H new ATOM 0 HG11 VAL A 655 2.919 -18.803 5.352 1.00 63.33 H new ATOM 0 HG12 VAL A 655 3.493 -17.486 4.301 1.00 63.33 H new ATOM 0 HG13 VAL A 655 2.104 -17.221 5.382 1.00 63.33 H new ATOM 0 HG21 VAL A 655 0.809 -19.987 4.845 1.00 72.33 H new ATOM 0 HG22 VAL A 655 -0.123 -18.471 4.847 1.00 72.33 H new ATOM 0 HG23 VAL A 655 -0.162 -19.538 3.423 1.00 72.33 H new ATOM 1821 N PRO A 656 1.879 -14.994 3.452 1.00 44.32 N ATOM 1822 CA PRO A 656 2.750 -13.832 3.508 1.00 52.31 C ATOM 1823 C PRO A 656 3.946 -14.087 4.427 1.00 44.33 C ATOM 1824 O PRO A 656 5.093 -13.890 4.028 1.00 61.05 O ATOM 1825 CB PRO A 656 1.861 -12.697 3.991 1.00 20.31 C ATOM 1826 CG PRO A 656 0.651 -13.359 4.629 1.00 34.14 C ATOM 1827 CD PRO A 656 0.649 -14.823 4.220 1.00 44.24 C ATOM 0 HA PRO A 656 3.192 -13.591 2.541 1.00 52.31 H new ATOM 0 HB2 PRO A 656 2.386 -12.068 4.710 1.00 20.31 H new ATOM 0 HB3 PRO A 656 1.563 -12.054 3.163 1.00 20.31 H new ATOM 0 HG2 PRO A 656 0.693 -13.266 5.714 1.00 34.14 H new ATOM 0 HG3 PRO A 656 -0.267 -12.871 4.303 1.00 34.14 H new ATOM 0 HD2 PRO A 656 0.632 -15.478 5.091 1.00 44.24 H new ATOM 0 HD3 PRO A 656 -0.229 -15.066 3.621 1.00 44.24 H new ATOM 1835 N PHE A 657 3.638 -14.521 5.640 1.00 42.01 N ATOM 1836 CA PHE A 657 4.674 -14.805 6.619 1.00 71.24 C ATOM 1837 C PHE A 657 5.546 -15.979 6.169 1.00 43.24 C ATOM 1838 O PHE A 657 5.243 -16.638 5.175 1.00 13.42 O ATOM 1839 CB PHE A 657 3.967 -15.181 7.922 1.00 75.30 C ATOM 1840 CG PHE A 657 3.272 -16.544 7.882 1.00 11.02 C ATOM 1841 CD1 PHE A 657 1.995 -16.643 7.424 1.00 21.35 C ATOM 1842 CD2 PHE A 657 3.931 -17.656 8.304 1.00 3.04 C ATOM 1843 CE1 PHE A 657 1.350 -17.908 7.387 1.00 25.04 C ATOM 1844 CE2 PHE A 657 3.287 -18.921 8.267 1.00 13.44 C ATOM 1845 CZ PHE A 657 2.010 -19.020 7.810 1.00 51.03 C ATOM 0 H PHE A 657 2.686 -14.683 5.968 1.00 42.01 H new ATOM 0 HA PHE A 657 5.318 -13.934 6.742 1.00 71.24 H new ATOM 0 HB2 PHE A 657 4.696 -15.180 8.732 1.00 75.30 H new ATOM 0 HB3 PHE A 657 3.228 -14.415 8.157 1.00 75.30 H new ATOM 0 HD1 PHE A 657 1.472 -15.760 7.089 1.00 21.35 H new ATOM 0 HD2 PHE A 657 4.945 -17.577 8.668 1.00 3.04 H new ATOM 0 HE1 PHE A 657 0.336 -17.987 7.023 1.00 25.04 H new ATOM 0 HE2 PHE A 657 3.811 -19.804 8.602 1.00 13.44 H new ATOM 0 HZ PHE A 657 1.520 -19.982 7.783 1.00 51.03 H new ATOM 1855 N SER A 658 6.613 -16.205 6.921 1.00 11.45 N ATOM 1856 CA SER A 658 7.531 -17.287 6.613 1.00 65.34 C ATOM 1857 C SER A 658 7.588 -18.275 7.780 1.00 54.11 C ATOM 1858 O SER A 658 7.403 -17.889 8.933 1.00 22.43 O ATOM 1859 CB SER A 658 8.931 -16.751 6.303 1.00 34.12 C ATOM 1860 OG SER A 658 8.884 -15.529 5.571 1.00 22.23 O ATOM 0 H SER A 658 6.862 -15.656 7.744 1.00 11.45 H new ATOM 0 HA SER A 658 7.164 -17.803 5.726 1.00 65.34 H new ATOM 0 HB2 SER A 658 9.474 -16.595 7.235 1.00 34.12 H new ATOM 0 HB3 SER A 658 9.486 -17.495 5.732 1.00 34.12 H new ATOM 0 HG SER A 658 9.796 -15.218 5.394 1.00 22.23 H new ATOM 1866 N VAL A 659 7.843 -19.530 7.440 1.00 41.42 N ATOM 1867 CA VAL A 659 7.926 -20.575 8.445 1.00 30.51 C ATOM 1868 C VAL A 659 8.905 -21.653 7.974 1.00 11.04 C ATOM 1869 O VAL A 659 8.595 -22.426 7.069 1.00 11.22 O ATOM 1870 CB VAL A 659 6.530 -21.126 8.744 1.00 11.41 C ATOM 1871 CG1 VAL A 659 5.611 -20.979 7.529 1.00 22.35 C ATOM 1872 CG2 VAL A 659 6.602 -22.583 9.205 1.00 40.21 C ATOM 0 H VAL A 659 7.995 -19.846 6.482 1.00 41.42 H new ATOM 0 HA VAL A 659 8.310 -20.173 9.383 1.00 30.51 H new ATOM 0 HB VAL A 659 6.105 -20.539 9.558 1.00 11.41 H new ATOM 0 HG11 VAL A 659 4.625 -21.378 7.768 1.00 22.35 H new ATOM 0 HG12 VAL A 659 5.522 -19.925 7.266 1.00 22.35 H new ATOM 0 HG13 VAL A 659 6.031 -21.529 6.687 1.00 22.35 H new ATOM 0 HG21 VAL A 659 5.596 -22.950 9.411 1.00 40.21 H new ATOM 0 HG22 VAL A 659 7.057 -23.190 8.422 1.00 40.21 H new ATOM 0 HG23 VAL A 659 7.204 -22.649 10.111 1.00 40.21 H new ATOM 1882 N PRO A 660 10.098 -21.670 8.627 1.00 30.21 N ATOM 1883 CA PRO A 660 11.124 -22.640 8.285 1.00 63.11 C ATOM 1884 C PRO A 660 10.770 -24.027 8.824 1.00 33.24 C ATOM 1885 O PRO A 660 9.859 -24.166 9.639 1.00 20.15 O ATOM 1886 CB PRO A 660 12.407 -22.082 8.879 1.00 0.41 C ATOM 1887 CG PRO A 660 11.975 -21.065 9.923 1.00 33.34 C ATOM 1888 CD PRO A 660 10.500 -20.770 9.704 1.00 31.32 C ATOM 0 HA PRO A 660 11.227 -22.781 7.209 1.00 63.11 H new ATOM 0 HB2 PRO A 660 13.006 -22.874 9.329 1.00 0.41 H new ATOM 0 HB3 PRO A 660 13.023 -21.615 8.110 1.00 0.41 H new ATOM 0 HG2 PRO A 660 12.141 -21.455 10.927 1.00 33.34 H new ATOM 0 HG3 PRO A 660 12.564 -20.152 9.834 1.00 33.34 H new ATOM 0 HD2 PRO A 660 9.921 -20.952 10.609 1.00 31.32 H new ATOM 0 HD3 PRO A 660 10.341 -19.727 9.429 1.00 31.32 H new ATOM 1896 N ASP A 661 11.508 -25.019 8.348 1.00 50.21 N ATOM 1897 CA ASP A 661 11.283 -26.390 8.772 1.00 21.23 C ATOM 1898 C ASP A 661 11.494 -26.493 10.284 1.00 13.42 C ATOM 1899 O ASP A 661 12.137 -25.633 10.885 1.00 64.55 O ATOM 1900 CB ASP A 661 12.266 -27.345 8.092 1.00 31.43 C ATOM 1901 CG ASP A 661 13.698 -27.289 8.628 1.00 31.11 C ATOM 1902 OD1 ASP A 661 14.288 -28.320 8.983 1.00 60.43 O ATOM 1903 OD2 ASP A 661 14.216 -26.109 8.675 1.00 45.12 O ATOM 0 H ASP A 661 12.263 -24.900 7.672 1.00 50.21 H new ATOM 0 HA ASP A 661 10.264 -26.665 8.498 1.00 21.23 H new ATOM 0 HB2 ASP A 661 11.893 -28.364 8.200 1.00 31.43 H new ATOM 0 HB3 ASP A 661 12.285 -27.124 7.025 1.00 31.43 H new ATOM 1909 N PHE A 662 10.939 -27.551 10.856 1.00 13.14 N ATOM 1910 CA PHE A 662 11.058 -27.777 12.287 1.00 54.21 C ATOM 1911 C PHE A 662 12.524 -27.923 12.699 1.00 71.12 C ATOM 1912 O PHE A 662 13.361 -28.331 11.895 1.00 74.02 O ATOM 1913 CB PHE A 662 10.321 -29.081 12.596 1.00 33.34 C ATOM 1914 CG PHE A 662 10.032 -29.295 14.084 1.00 53.03 C ATOM 1915 CD1 PHE A 662 9.003 -28.633 14.679 1.00 45.14 C ATOM 1916 CD2 PHE A 662 10.803 -30.147 14.811 1.00 62.03 C ATOM 1917 CE1 PHE A 662 8.735 -28.831 16.059 1.00 62.31 C ATOM 1918 CE2 PHE A 662 10.535 -30.345 16.191 1.00 70.31 C ATOM 1919 CZ PHE A 662 9.507 -29.683 16.786 1.00 73.31 C ATOM 0 H PHE A 662 10.406 -28.261 10.355 1.00 13.14 H new ATOM 0 HA PHE A 662 10.638 -26.933 12.834 1.00 54.21 H new ATOM 0 HB2 PHE A 662 9.379 -29.093 12.048 1.00 33.34 H new ATOM 0 HB3 PHE A 662 10.914 -29.918 12.228 1.00 33.34 H new ATOM 0 HD1 PHE A 662 8.390 -27.957 14.101 1.00 45.14 H new ATOM 0 HD2 PHE A 662 11.619 -30.673 14.339 1.00 62.03 H new ATOM 0 HE1 PHE A 662 7.918 -28.305 16.532 1.00 62.31 H new ATOM 0 HE2 PHE A 662 11.148 -31.022 16.768 1.00 70.31 H new ATOM 0 HZ PHE A 662 9.303 -29.834 17.836 1.00 73.31 H new