USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=23 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 634 LYS NZ :NH3+ -176:sc= -2.43! (180deg=-2.53!) USER MOD Set 1.2: A 637 SER OG : rot -45:sc= -0.864 USER MOD Set 2.1: A 585 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 588 TYR OH : rot 180:sc= -0.381 USER MOD Set 2.3: A 622 GLN : amide:sc= -5.94! C(o=-6.3!,f=-15!) USER MOD Set 3.1: A 579 ASN : amide:sc= -5.55! C(o=-8.2!,f=-6!) USER MOD Set 3.2: A 581 ASN : amide:sc= -2.67! C(o=-8.2!,f=-8.6!) USER MOD Set 4.1: A 556 CYS SG : rot 147:sc= 0.0623 USER MOD Set 4.2: A 559 CYS SG : rot 5:sc= -20! USER MOD Set 4.3: A 612 CYS SG : rot -132:sc= -1.07 USER MOD Set 4.4: A 615 CYS SG : rot 24:sc= -23.9! USER MOD Set 5.1: A 553 GLN : amide:sc= -1.96! K(o=-2.3!,f=-0.87) USER MOD Set 5.2: A 565 HIS : no HD1:sc= -0.304 X(o=-2.3,f=-2) USER MOD Single : A 546 GLN : amide:sc= -0.667 K(o=-0.67,f=0) USER MOD Single : A 551 HIS : no HD1:sc= -0.951 K(o=-0.95,f=-1.7) USER MOD Single : A 558 ASN : amide:sc= -0.418 K(o=-0.42,f=-1.5) USER MOD Single : A 560 MET CE :methyl 155:sc= -0.222 (180deg=-1.42) USER MOD Single : A 567 SER OG : rot 180:sc= 0 USER MOD Single : A 571 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 575 THR OG1 : rot 172:sc= 1.05 USER MOD Single : A 576 HIS : no HD1:sc= -0.597 X(o=-0.6,f=-0.79) USER MOD Single : A 577 HIS : no HE2:sc= -16.1! C(o=-16!,f=-14!) USER MOD Single : A 583 ASN : amide:sc= -0.12 X(o=-0.12,f=-0.11) USER MOD Single : A 586 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 587 TYR OH : rot -69:sc= 0.291 USER MOD Single : A 589 ASN : amide:sc= -1.58! K(o=-1.6!,f=-0.66) USER MOD Single : A 591 SER OG : rot 180:sc= 0 USER MOD Single : A 605 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 611 SER OG : rot 40:sc= 0.285 USER MOD Single : A 614 ASN : amide:sc= -3.27! K(o=-3.3!,f=-2.1) USER MOD Single : A 623 MET CE :methyl 160:sc= 0 (180deg=-0.202) USER MOD Single : A 625 TYR OH : rot 180:sc= 0 USER MOD Single : A 626 LYS NZ :NH3+ -151:sc= 1.31 (180deg=0.269) USER MOD Single : A 627 SER OG : rot -81:sc= 0.483 USER MOD Single : A 629 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 638 MET CE :methyl -160:sc= -9.92! (180deg=-11.1!) USER MOD Single : A 642 THR OG1 : rot -91:sc= 1.69 USER MOD Single : A 644 GLN : amide:sc= -0.899! X(o=-0.9!,f=-0.89) USER MOD Single : A 648 GLN : amide:sc= -6.98! C(o=-7!,f=-16!) 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 -24:sc= 0.315 USER MOD Single : A 658 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 56 N GLN A 546 4.703 -7.026 2.340 1.00 1.45 N ATOM 57 CA GLN A 546 5.433 -7.332 3.559 1.00 14.23 C ATOM 58 C GLN A 546 4.458 -7.594 4.710 1.00 42.45 C ATOM 59 O GLN A 546 3.546 -6.803 4.947 1.00 4.15 O ATOM 60 CB GLN A 546 6.408 -6.207 3.912 1.00 14.21 C ATOM 61 CG GLN A 546 5.698 -5.084 4.671 1.00 12.02 C ATOM 62 CD GLN A 546 6.404 -3.744 4.454 1.00 13.02 C ATOM 63 OE1 GLN A 546 5.789 -2.692 4.396 1.00 43.44 O ATOM 64 NE2 GLN A 546 7.725 -3.841 4.339 1.00 62.12 N ATOM 0 HA GLN A 546 6.019 -8.236 3.391 1.00 14.23 H new ATOM 0 HB2 GLN A 546 7.222 -6.603 4.519 1.00 14.21 H new ATOM 0 HB3 GLN A 546 6.855 -5.809 3.001 1.00 14.21 H new ATOM 0 HG2 GLN A 546 4.663 -5.012 4.337 1.00 12.02 H new ATOM 0 HG3 GLN A 546 5.674 -5.318 5.735 1.00 12.02 H new ATOM 0 HE21 GLN A 546 8.176 -4.754 4.397 1.00 62.12 H new ATOM 0 HE22 GLN A 546 8.287 -3.003 4.193 1.00 62.12 H new ATOM 73 N PHE A 547 4.684 -8.706 5.393 1.00 61.14 N ATOM 74 CA PHE A 547 3.837 -9.082 6.512 1.00 4.01 C ATOM 75 C PHE A 547 4.607 -9.941 7.517 1.00 20.14 C ATOM 76 O PHE A 547 4.854 -11.120 7.271 1.00 61.53 O ATOM 77 CB PHE A 547 2.678 -9.901 5.941 1.00 65.30 C ATOM 78 CG PHE A 547 1.917 -9.200 4.814 1.00 34.34 C ATOM 79 CD1 PHE A 547 2.469 -9.107 3.575 1.00 31.41 C ATOM 80 CD2 PHE A 547 0.687 -8.670 5.052 1.00 31.14 C ATOM 81 CE1 PHE A 547 1.762 -8.457 2.530 1.00 53.24 C ATOM 82 CE2 PHE A 547 -0.020 -8.020 4.007 1.00 52.51 C ATOM 83 CZ PHE A 547 0.532 -7.927 2.768 1.00 41.44 C ATOM 0 H PHE A 547 5.442 -9.359 5.193 1.00 61.14 H new ATOM 0 HA PHE A 547 3.487 -8.189 7.030 1.00 4.01 H new ATOM 0 HB2 PHE A 547 3.065 -10.849 5.569 1.00 65.30 H new ATOM 0 HB3 PHE A 547 1.981 -10.135 6.746 1.00 65.30 H new ATOM 0 HD1 PHE A 547 3.446 -9.528 3.386 1.00 31.41 H new ATOM 0 HD2 PHE A 547 0.248 -8.744 6.036 1.00 31.14 H new ATOM 0 HE1 PHE A 547 2.201 -8.383 1.546 1.00 53.24 H new ATOM 0 HE2 PHE A 547 -0.997 -7.599 4.196 1.00 52.51 H new ATOM 0 HZ PHE A 547 -0.006 -7.432 1.973 1.00 41.44 H new ATOM 93 N PRO A 548 4.974 -9.300 8.659 1.00 1.21 N ATOM 94 CA PRO A 548 5.711 -9.992 9.703 1.00 75.32 C ATOM 95 C PRO A 548 4.795 -10.936 10.486 1.00 44.21 C ATOM 96 O PRO A 548 3.620 -10.637 10.693 1.00 43.13 O ATOM 97 CB PRO A 548 6.303 -8.889 10.564 1.00 24.12 C ATOM 98 CG PRO A 548 5.501 -7.637 10.249 1.00 35.41 C ATOM 99 CD PRO A 548 4.699 -7.904 8.986 1.00 52.44 C ATOM 0 HA PRO A 548 6.497 -10.635 9.308 1.00 75.32 H new ATOM 0 HB2 PRO A 548 6.234 -9.141 11.622 1.00 24.12 H new ATOM 0 HB3 PRO A 548 7.359 -8.743 10.339 1.00 24.12 H new ATOM 0 HG2 PRO A 548 4.837 -7.390 11.078 1.00 35.41 H new ATOM 0 HG3 PRO A 548 6.165 -6.784 10.107 1.00 35.41 H new ATOM 0 HD2 PRO A 548 3.634 -7.738 9.151 1.00 52.44 H new ATOM 0 HD3 PRO A 548 5.003 -7.241 8.176 1.00 52.44 H new ATOM 107 N VAL A 549 5.369 -12.056 10.900 1.00 31.03 N ATOM 108 CA VAL A 549 4.620 -13.045 11.656 1.00 34.22 C ATOM 109 C VAL A 549 3.981 -12.374 12.873 1.00 14.34 C ATOM 110 O VAL A 549 2.814 -12.616 13.179 1.00 1.04 O ATOM 111 CB VAL A 549 5.529 -14.218 12.029 1.00 10.21 C ATOM 112 CG1 VAL A 549 6.059 -14.920 10.777 1.00 3.24 C ATOM 113 CG2 VAL A 549 6.678 -13.756 12.928 1.00 61.35 C ATOM 0 H VAL A 549 6.344 -12.300 10.726 1.00 31.03 H new ATOM 0 HA VAL A 549 3.813 -13.457 11.050 1.00 34.22 H new ATOM 0 HB VAL A 549 4.934 -14.939 12.590 1.00 10.21 H new ATOM 0 HG11 VAL A 549 6.702 -15.750 11.070 1.00 3.24 H new ATOM 0 HG12 VAL A 549 5.222 -15.299 10.191 1.00 3.24 H new ATOM 0 HG13 VAL A 549 6.631 -14.212 10.177 1.00 3.24 H new ATOM 0 HG21 VAL A 549 7.309 -14.609 13.179 1.00 61.35 H new ATOM 0 HG22 VAL A 549 7.271 -13.007 12.404 1.00 61.35 H new ATOM 0 HG23 VAL A 549 6.273 -13.323 13.843 1.00 61.35 H new ATOM 123 N GLU A 550 4.773 -11.543 13.535 1.00 71.00 N ATOM 124 CA GLU A 550 4.299 -10.835 14.712 1.00 42.20 C ATOM 125 C GLU A 550 3.047 -10.023 14.375 1.00 74.31 C ATOM 126 O GLU A 550 2.265 -9.685 15.262 1.00 52.50 O ATOM 127 CB GLU A 550 5.395 -9.937 15.290 1.00 60.03 C ATOM 128 CG GLU A 550 6.084 -9.133 14.185 1.00 0.14 C ATOM 129 CD GLU A 550 6.697 -7.847 14.744 1.00 22.44 C ATOM 130 OE1 GLU A 550 7.714 -7.902 15.453 1.00 74.35 O ATOM 131 OE2 GLU A 550 6.080 -6.762 14.418 1.00 23.43 O ATOM 0 H GLU A 550 5.740 -11.344 13.278 1.00 71.00 H new ATOM 0 HA GLU A 550 4.038 -11.570 15.473 1.00 42.20 H new ATOM 0 HB2 GLU A 550 4.963 -9.257 16.024 1.00 60.03 H new ATOM 0 HB3 GLU A 550 6.131 -10.547 15.814 1.00 60.03 H new ATOM 0 HG2 GLU A 550 6.862 -9.739 13.720 1.00 0.14 H new ATOM 0 HG3 GLU A 550 5.363 -8.887 13.405 1.00 0.14 H new ATOM 139 N HIS A 551 2.895 -9.735 13.091 1.00 60.14 N ATOM 140 CA HIS A 551 1.751 -8.970 12.625 1.00 12.34 C ATOM 141 C HIS A 551 0.675 -9.923 12.102 1.00 54.34 C ATOM 142 O HIS A 551 -0.504 -9.572 12.060 1.00 4.01 O ATOM 143 CB HIS A 551 2.178 -7.930 11.588 1.00 64.15 C ATOM 144 CG HIS A 551 2.578 -6.600 12.180 1.00 41.44 C ATOM 145 ND1 HIS A 551 2.705 -5.449 11.421 1.00 75.11 N ATOM 146 CD2 HIS A 551 2.877 -6.249 13.463 1.00 31.14 C ATOM 147 CE1 HIS A 551 3.065 -4.457 12.222 1.00 34.21 C ATOM 148 NE2 HIS A 551 3.171 -4.955 13.487 1.00 24.24 N ATOM 0 H HIS A 551 3.546 -10.018 12.358 1.00 60.14 H new ATOM 0 HA HIS A 551 1.320 -8.412 13.456 1.00 12.34 H new ATOM 0 HB2 HIS A 551 3.015 -8.327 11.014 1.00 64.15 H new ATOM 0 HB3 HIS A 551 1.358 -7.772 10.888 1.00 64.15 H new ATOM 0 HD2 HIS A 551 2.875 -6.912 14.316 1.00 31.14 H new ATOM 0 HE1 HIS A 551 3.243 -3.434 11.925 1.00 34.21 H new ATOM 0 HE2 HIS A 551 3.433 -4.421 14.315 1.00 24.24 H new ATOM 156 N VAL A 552 1.118 -11.110 11.715 1.00 43.33 N ATOM 157 CA VAL A 552 0.208 -12.116 11.195 1.00 31.02 C ATOM 158 C VAL A 552 -0.256 -13.018 12.341 1.00 41.13 C ATOM 159 O VAL A 552 0.562 -13.644 13.013 1.00 62.01 O ATOM 160 CB VAL A 552 0.878 -12.890 10.058 1.00 34.51 C ATOM 161 CG1 VAL A 552 0.096 -14.164 9.728 1.00 44.35 C ATOM 162 CG2 VAL A 552 1.042 -12.010 8.818 1.00 70.14 C ATOM 0 H VAL A 552 2.096 -11.398 11.751 1.00 43.33 H new ATOM 0 HA VAL A 552 -0.680 -11.646 10.771 1.00 31.02 H new ATOM 0 HB VAL A 552 1.873 -13.184 10.393 1.00 34.51 H new ATOM 0 HG11 VAL A 552 0.593 -14.696 8.917 1.00 44.35 H new ATOM 0 HG12 VAL A 552 0.054 -14.804 10.609 1.00 44.35 H new ATOM 0 HG13 VAL A 552 -0.917 -13.901 9.423 1.00 44.35 H new ATOM 0 HG21 VAL A 552 1.521 -12.584 8.025 1.00 70.14 H new ATOM 0 HG22 VAL A 552 0.063 -11.671 8.480 1.00 70.14 H new ATOM 0 HG23 VAL A 552 1.660 -11.146 9.064 1.00 70.14 H new ATOM 172 N GLN A 553 -1.567 -13.056 12.528 1.00 0.40 N ATOM 173 CA GLN A 553 -2.149 -13.870 13.581 1.00 75.43 C ATOM 174 C GLN A 553 -2.892 -15.065 12.978 1.00 24.00 C ATOM 175 O GLN A 553 -3.491 -14.953 11.910 1.00 62.33 O ATOM 176 CB GLN A 553 -3.078 -13.039 14.467 1.00 12.35 C ATOM 177 CG GLN A 553 -3.569 -13.855 15.665 1.00 4.32 C ATOM 178 CD GLN A 553 -4.071 -12.939 16.784 1.00 62.24 C ATOM 179 OE1 GLN A 553 -3.552 -12.923 17.888 1.00 42.24 O ATOM 180 NE2 GLN A 553 -5.107 -12.181 16.437 1.00 1.55 N ATOM 0 H GLN A 553 -2.243 -12.536 11.968 1.00 0.40 H new ATOM 0 HA GLN A 553 -1.342 -14.247 14.210 1.00 75.43 H new ATOM 0 HB2 GLN A 553 -2.553 -12.151 14.818 1.00 12.35 H new ATOM 0 HB3 GLN A 553 -3.931 -12.695 13.883 1.00 12.35 H new ATOM 0 HG2 GLN A 553 -4.370 -14.523 15.350 1.00 4.32 H new ATOM 0 HG3 GLN A 553 -2.759 -14.482 16.039 1.00 4.32 H new ATOM 0 HE21 GLN A 553 -5.493 -12.245 15.495 1.00 1.55 H new ATOM 0 HE22 GLN A 553 -5.516 -11.536 17.113 1.00 1.55 H new ATOM 189 N LEU A 554 -2.827 -16.181 13.689 1.00 13.03 N ATOM 190 CA LEU A 554 -3.486 -17.395 13.238 1.00 63.11 C ATOM 191 C LEU A 554 -4.950 -17.371 13.681 1.00 51.34 C ATOM 192 O LEU A 554 -5.243 -17.431 14.874 1.00 43.02 O ATOM 193 CB LEU A 554 -2.719 -18.630 13.716 1.00 12.21 C ATOM 194 CG LEU A 554 -1.455 -18.981 12.929 1.00 72.22 C ATOM 195 CD1 LEU A 554 -1.285 -20.497 12.814 1.00 64.13 C ATOM 196 CD2 LEU A 554 -1.455 -18.299 11.559 1.00 2.24 C ATOM 0 H LEU A 554 -2.328 -16.270 14.574 1.00 13.03 H new ATOM 0 HA LEU A 554 -3.483 -17.448 12.149 1.00 63.11 H new ATOM 0 HB2 LEU A 554 -2.443 -18.480 14.760 1.00 12.21 H new ATOM 0 HB3 LEU A 554 -3.393 -19.486 13.684 1.00 12.21 H new ATOM 0 HG LEU A 554 -0.594 -18.601 13.478 1.00 72.22 H new ATOM 0 HD11 LEU A 554 -0.379 -20.720 12.250 1.00 64.13 H new ATOM 0 HD12 LEU A 554 -1.208 -20.931 13.811 1.00 64.13 H new ATOM 0 HD13 LEU A 554 -2.147 -20.922 12.299 1.00 64.13 H new ATOM 0 HD21 LEU A 554 -0.546 -18.565 11.020 1.00 2.24 H new ATOM 0 HD22 LEU A 554 -2.324 -18.628 10.989 1.00 2.24 H new ATOM 0 HD23 LEU A 554 -1.495 -17.218 11.691 1.00 2.24 H new ATOM 208 N LEU A 555 -5.831 -17.282 12.695 1.00 35.34 N ATOM 209 CA LEU A 555 -7.258 -17.249 12.968 1.00 33.23 C ATOM 210 C LEU A 555 -7.976 -18.220 12.028 1.00 43.52 C ATOM 211 O LEU A 555 -7.368 -18.891 11.194 1.00 55.40 O ATOM 212 CB LEU A 555 -7.785 -15.815 12.891 1.00 14.11 C ATOM 213 CG LEU A 555 -6.794 -14.714 13.276 1.00 74.45 C ATOM 214 CD1 LEU A 555 -6.351 -13.921 12.045 1.00 75.13 C ATOM 215 CD2 LEU A 555 -7.376 -13.808 14.363 1.00 63.42 C ATOM 0 H LEU A 555 -5.584 -17.232 11.707 1.00 35.34 H new ATOM 0 HA LEU A 555 -7.459 -17.584 13.986 1.00 33.23 H new ATOM 0 HB2 LEU A 555 -8.127 -15.629 11.873 1.00 14.11 H new ATOM 0 HB3 LEU A 555 -8.657 -15.734 13.540 1.00 14.11 H new ATOM 0 HG LEU A 555 -5.904 -15.185 13.693 1.00 74.45 H new ATOM 0 HD11 LEU A 555 -5.647 -13.145 12.346 1.00 75.13 H new ATOM 0 HD12 LEU A 555 -5.869 -14.592 11.334 1.00 75.13 H new ATOM 0 HD13 LEU A 555 -7.221 -13.460 11.577 1.00 75.13 H new ATOM 0 HD21 LEU A 555 -6.652 -13.034 14.618 1.00 63.42 H new ATOM 0 HD22 LEU A 555 -8.291 -13.342 13.997 1.00 63.42 H new ATOM 0 HD23 LEU A 555 -7.601 -14.401 15.249 1.00 63.42 H new ATOM 227 N CYS A 556 -9.295 -18.279 12.182 1.00 61.42 N ATOM 228 CA CYS A 556 -10.122 -19.157 11.362 1.00 2.42 C ATOM 229 C CYS A 556 -10.933 -18.352 10.351 1.00 73.01 C ATOM 230 O CYS A 556 -11.931 -17.741 10.730 1.00 51.30 O ATOM 231 CB CYS A 556 -11.060 -19.980 12.246 1.00 74.01 C ATOM 232 SG CYS A 556 -11.685 -21.498 11.455 1.00 50.24 S ATOM 0 H CYS A 556 -9.814 -17.729 12.867 1.00 61.42 H new ATOM 0 HA CYS A 556 -9.462 -19.832 10.817 1.00 2.42 H new ATOM 0 HB2 CYS A 556 -10.535 -20.250 13.162 1.00 74.01 H new ATOM 0 HB3 CYS A 556 -11.907 -19.359 12.536 1.00 74.01 H new ATOM 0 HG CYS A 556 -11.843 -22.423 12.355 1.00 50.24 H new ATOM 237 N ILE A 557 -10.493 -18.369 9.101 1.00 11.34 N ATOM 238 CA ILE A 557 -11.186 -17.638 8.054 1.00 50.20 C ATOM 239 C ILE A 557 -12.693 -17.686 8.315 1.00 23.43 C ATOM 240 O ILE A 557 -13.409 -16.732 8.016 1.00 33.44 O ATOM 241 CB ILE A 557 -10.784 -18.166 6.676 1.00 64.33 C ATOM 242 CG1 ILE A 557 -11.694 -19.317 6.243 1.00 61.34 C ATOM 243 CG2 ILE A 557 -9.306 -18.563 6.651 1.00 72.52 C ATOM 244 CD1 ILE A 557 -11.450 -19.688 4.778 1.00 12.22 C ATOM 0 H ILE A 557 -9.665 -18.877 8.790 1.00 11.34 H new ATOM 0 HA ILE A 557 -10.894 -16.588 8.066 1.00 50.20 H new ATOM 0 HB ILE A 557 -10.914 -17.363 5.951 1.00 64.33 H new ATOM 0 HG12 ILE A 557 -11.514 -20.186 6.877 1.00 61.34 H new ATOM 0 HG13 ILE A 557 -12.737 -19.032 6.381 1.00 61.34 H new ATOM 0 HG21 ILE A 557 -9.046 -18.935 5.660 1.00 72.52 H new ATOM 0 HG22 ILE A 557 -8.692 -17.694 6.885 1.00 72.52 H new ATOM 0 HG23 ILE A 557 -9.126 -19.344 7.390 1.00 72.52 H new ATOM 0 HD11 ILE A 557 -12.110 -20.509 4.496 1.00 12.22 H new ATOM 0 HD12 ILE A 557 -11.654 -18.824 4.145 1.00 12.22 H new ATOM 0 HD13 ILE A 557 -10.412 -19.996 4.649 1.00 12.22 H new ATOM 256 N ASN A 558 -13.129 -18.808 8.870 1.00 1.45 N ATOM 257 CA ASN A 558 -14.537 -18.993 9.175 1.00 34.04 C ATOM 258 C ASN A 558 -14.884 -18.224 10.452 1.00 51.33 C ATOM 259 O ASN A 558 -15.714 -17.316 10.428 1.00 70.24 O ATOM 260 CB ASN A 558 -14.860 -20.470 9.411 1.00 10.23 C ATOM 261 CG ASN A 558 -15.238 -21.164 8.102 1.00 75.43 C ATOM 262 OD1 ASN A 558 -14.920 -20.712 7.014 1.00 22.03 O ATOM 263 ND2 ASN A 558 -15.934 -22.286 8.266 1.00 52.14 N ATOM 0 H ASN A 558 -12.532 -19.597 9.116 1.00 1.45 H new ATOM 0 HA ASN A 558 -15.116 -18.628 8.327 1.00 34.04 H new ATOM 0 HB2 ASN A 558 -13.998 -20.968 9.855 1.00 10.23 H new ATOM 0 HB3 ASN A 558 -15.681 -20.557 10.123 1.00 10.23 H new ATOM 0 HD21 ASN A 558 -16.234 -22.823 7.453 1.00 52.14 H new ATOM 0 HD22 ASN A 558 -16.167 -22.609 9.205 1.00 52.14 H new ATOM 270 N CYS A 559 -14.231 -18.615 11.536 1.00 2.40 N ATOM 271 CA CYS A 559 -14.460 -17.973 12.820 1.00 65.05 C ATOM 272 C CYS A 559 -13.772 -16.606 12.803 1.00 71.34 C ATOM 273 O CYS A 559 -14.439 -15.572 12.790 1.00 65.54 O ATOM 274 CB CYS A 559 -13.973 -18.842 13.981 1.00 72.20 C ATOM 275 SG CYS A 559 -14.299 -20.633 13.788 1.00 4.43 S ATOM 0 H CYS A 559 -13.543 -19.368 11.552 1.00 2.40 H new ATOM 0 HA CYS A 559 -15.530 -17.838 12.977 1.00 65.05 H new ATOM 0 HB2 CYS A 559 -12.900 -18.693 14.103 1.00 72.20 H new ATOM 0 HB3 CYS A 559 -14.449 -18.497 14.899 1.00 72.20 H new ATOM 0 HG CYS A 559 -14.808 -20.857 12.613 1.00 4.43 H new ATOM 280 N MET A 560 -12.448 -16.645 12.803 1.00 22.55 N ATOM 281 CA MET A 560 -11.663 -15.423 12.788 1.00 1.24 C ATOM 282 C MET A 560 -11.638 -14.770 14.172 1.00 53.11 C ATOM 283 O MET A 560 -11.890 -13.573 14.302 1.00 33.00 O ATOM 284 CB MET A 560 -12.259 -14.446 11.773 1.00 11.32 C ATOM 285 CG MET A 560 -12.556 -15.147 10.446 1.00 35.34 C ATOM 286 SD MET A 560 -13.352 -14.013 9.321 1.00 42.02 S ATOM 287 CE MET A 560 -15.061 -14.442 9.605 1.00 51.31 C ATOM 0 H MET A 560 -11.899 -17.504 12.813 1.00 22.55 H new ATOM 0 HA MET A 560 -10.640 -15.674 12.507 1.00 1.24 H new ATOM 0 HB2 MET A 560 -13.176 -14.014 12.174 1.00 11.32 H new ATOM 0 HB3 MET A 560 -11.566 -13.622 11.606 1.00 11.32 H new ATOM 0 HG2 MET A 560 -11.630 -15.518 10.006 1.00 35.34 H new ATOM 0 HG3 MET A 560 -13.197 -16.012 10.618 1.00 35.34 H new ATOM 0 HE1 MET A 560 -15.696 -13.592 9.356 1.00 51.31 H new ATOM 0 HE2 MET A 560 -15.332 -15.292 8.979 1.00 51.31 H new ATOM 0 HE3 MET A 560 -15.201 -14.705 10.654 1.00 51.31 H new ATOM 297 N VAL A 561 -11.332 -15.585 15.170 1.00 33.24 N ATOM 298 CA VAL A 561 -11.272 -15.102 16.539 1.00 5.04 C ATOM 299 C VAL A 561 -9.839 -15.238 17.060 1.00 14.44 C ATOM 300 O VAL A 561 -9.548 -14.854 18.192 1.00 22.01 O ATOM 301 CB VAL A 561 -12.294 -15.844 17.402 1.00 13.12 C ATOM 302 CG1 VAL A 561 -13.539 -16.204 16.589 1.00 72.10 C ATOM 303 CG2 VAL A 561 -11.675 -17.090 18.037 1.00 25.33 C ATOM 0 H VAL A 561 -11.123 -16.577 15.058 1.00 33.24 H new ATOM 0 HA VAL A 561 -11.536 -14.045 16.583 1.00 5.04 H new ATOM 0 HB VAL A 561 -12.600 -15.176 18.207 1.00 13.12 H new ATOM 0 HG11 VAL A 561 -14.250 -16.731 17.226 1.00 72.10 H new ATOM 0 HG12 VAL A 561 -14.000 -15.293 16.207 1.00 72.10 H new ATOM 0 HG13 VAL A 561 -13.256 -16.845 15.754 1.00 72.10 H new ATOM 0 HG21 VAL A 561 -12.423 -17.598 18.645 1.00 25.33 H new ATOM 0 HG22 VAL A 561 -11.326 -17.763 17.253 1.00 25.33 H new ATOM 0 HG23 VAL A 561 -10.834 -16.798 18.666 1.00 25.33 H new ATOM 313 N ALA A 562 -8.984 -15.785 16.210 1.00 45.43 N ATOM 314 CA ALA A 562 -7.589 -15.976 16.570 1.00 41.40 C ATOM 315 C ALA A 562 -7.446 -17.273 17.369 1.00 50.33 C ATOM 316 O ALA A 562 -7.800 -17.323 18.546 1.00 60.34 O ATOM 317 CB ALA A 562 -7.090 -14.755 17.346 1.00 31.01 C ATOM 0 H ALA A 562 -9.230 -16.102 15.272 1.00 45.43 H new ATOM 0 HA ALA A 562 -6.971 -16.069 15.677 1.00 41.40 H new ATOM 0 HB1 ALA A 562 -6.044 -14.898 17.616 1.00 31.01 H new ATOM 0 HB2 ALA A 562 -7.186 -13.865 16.724 1.00 31.01 H new ATOM 0 HB3 ALA A 562 -7.685 -14.631 18.251 1.00 31.01 H new ATOM 323 N VAL A 563 -6.927 -18.290 16.697 1.00 43.32 N ATOM 324 CA VAL A 563 -6.733 -19.583 17.329 1.00 23.43 C ATOM 325 C VAL A 563 -5.260 -19.743 17.714 1.00 54.34 C ATOM 326 O VAL A 563 -4.889 -20.712 18.373 1.00 64.31 O ATOM 327 CB VAL A 563 -7.234 -20.697 16.407 1.00 22.03 C ATOM 328 CG1 VAL A 563 -8.753 -20.846 16.504 1.00 74.24 C ATOM 329 CG2 VAL A 563 -6.797 -20.450 14.962 1.00 54.11 C ATOM 0 H VAL A 563 -6.635 -18.244 15.721 1.00 43.32 H new ATOM 0 HA VAL A 563 -7.318 -19.651 18.246 1.00 23.43 H new ATOM 0 HB VAL A 563 -6.784 -21.634 16.737 1.00 22.03 H new ATOM 0 HG11 VAL A 563 -9.084 -21.644 15.839 1.00 74.24 H new ATOM 0 HG12 VAL A 563 -9.030 -21.090 17.530 1.00 74.24 H new ATOM 0 HG13 VAL A 563 -9.230 -19.910 16.212 1.00 74.24 H new ATOM 0 HG21 VAL A 563 -7.166 -21.256 14.328 1.00 54.11 H new ATOM 0 HG22 VAL A 563 -7.205 -19.500 14.616 1.00 54.11 H new ATOM 0 HG23 VAL A 563 -5.709 -20.418 14.911 1.00 54.11 H new ATOM 339 N GLY A 564 -4.462 -18.776 17.285 1.00 71.10 N ATOM 340 CA GLY A 564 -3.039 -18.797 17.576 1.00 44.10 C ATOM 341 C GLY A 564 -2.342 -17.565 16.994 1.00 10.04 C ATOM 342 O GLY A 564 -2.977 -16.536 16.771 1.00 14.32 O ATOM 0 H GLY A 564 -4.774 -17.973 16.738 1.00 71.10 H new ATOM 0 HA2 GLY A 564 -2.885 -18.831 18.655 1.00 44.10 H new ATOM 0 HA3 GLY A 564 -2.593 -19.701 17.162 1.00 44.10 H new ATOM 346 N HIS A 565 -1.045 -17.711 16.766 1.00 52.23 N ATOM 347 CA HIS A 565 -0.255 -16.623 16.214 1.00 15.24 C ATOM 348 C HIS A 565 0.542 -17.127 15.010 1.00 42.21 C ATOM 349 O HIS A 565 1.012 -18.264 15.003 1.00 13.33 O ATOM 350 CB HIS A 565 0.631 -15.995 17.292 1.00 52.32 C ATOM 351 CG HIS A 565 -0.122 -15.143 18.286 1.00 23.34 C ATOM 352 ND1 HIS A 565 0.138 -13.796 18.468 1.00 52.04 N ATOM 353 CD2 HIS A 565 -1.128 -15.461 19.150 1.00 33.11 C ATOM 354 CE1 HIS A 565 -0.681 -13.334 19.401 1.00 22.23 C ATOM 355 NE2 HIS A 565 -1.464 -14.368 19.823 1.00 14.24 N ATOM 0 H HIS A 565 -0.521 -18.566 16.953 1.00 52.23 H new ATOM 0 HA HIS A 565 -0.915 -15.831 15.862 1.00 15.24 H new ATOM 0 HB2 HIS A 565 1.150 -16.789 17.829 1.00 52.32 H new ATOM 0 HB3 HIS A 565 1.394 -15.384 16.810 1.00 52.32 H new ATOM 0 HD2 HIS A 565 -1.575 -16.437 19.267 1.00 33.11 H new ATOM 0 HE1 HIS A 565 -0.722 -12.318 19.764 1.00 22.23 H new ATOM 0 HE2 HIS A 565 -2.189 -14.310 20.538 1.00 14.24 H new ATOM 363 N GLY A 566 0.671 -16.256 14.020 1.00 50.12 N ATOM 364 CA GLY A 566 1.404 -16.598 12.813 1.00 72.14 C ATOM 365 C GLY A 566 2.910 -16.644 13.080 1.00 53.54 C ATOM 366 O GLY A 566 3.692 -16.965 12.187 1.00 25.41 O ATOM 0 H GLY A 566 0.280 -15.314 14.029 1.00 50.12 H new ATOM 0 HA2 GLY A 566 1.067 -17.566 12.441 1.00 72.14 H new ATOM 0 HA3 GLY A 566 1.191 -15.865 12.034 1.00 72.14 H new ATOM 370 N SER A 567 3.270 -16.316 14.312 1.00 70.51 N ATOM 371 CA SER A 567 4.668 -16.316 14.708 1.00 41.15 C ATOM 372 C SER A 567 4.915 -17.399 15.760 1.00 15.31 C ATOM 373 O SER A 567 5.988 -17.455 16.358 1.00 31.41 O ATOM 374 CB SER A 567 5.087 -14.947 15.246 1.00 4.24 C ATOM 375 OG SER A 567 4.687 -14.761 16.601 1.00 14.42 O ATOM 0 H SER A 567 2.618 -16.048 15.049 1.00 70.51 H new ATOM 0 HA SER A 567 5.273 -16.531 13.827 1.00 41.15 H new ATOM 0 HB2 SER A 567 6.169 -14.843 15.170 1.00 4.24 H new ATOM 0 HB3 SER A 567 4.648 -14.164 14.628 1.00 4.24 H new ATOM 0 HG SER A 567 4.974 -13.876 16.908 1.00 14.42 H new ATOM 381 N ASP A 568 3.902 -18.231 15.954 1.00 24.42 N ATOM 382 CA ASP A 568 3.996 -19.309 16.924 1.00 34.31 C ATOM 383 C ASP A 568 3.958 -20.653 16.192 1.00 10.55 C ATOM 384 O ASP A 568 4.221 -21.696 16.789 1.00 52.23 O ATOM 385 CB ASP A 568 2.821 -19.272 17.904 1.00 42.41 C ATOM 386 CG ASP A 568 2.967 -18.268 19.050 1.00 62.50 C ATOM 387 OD1 ASP A 568 3.531 -17.178 18.876 1.00 3.02 O ATOM 388 OD2 ASP A 568 2.466 -18.650 20.176 1.00 73.04 O ATOM 0 H ASP A 568 3.013 -18.180 15.457 1.00 24.42 H new ATOM 0 HA ASP A 568 4.929 -19.187 17.474 1.00 34.31 H new ATOM 0 HB2 ASP A 568 1.912 -19.038 17.350 1.00 42.41 H new ATOM 0 HB3 ASP A 568 2.689 -20.268 18.328 1.00 42.41 H new ATOM 394 N LEU A 569 3.629 -20.583 14.911 1.00 60.00 N ATOM 395 CA LEU A 569 3.554 -21.781 14.092 1.00 54.34 C ATOM 396 C LEU A 569 4.908 -22.022 13.423 1.00 44.02 C ATOM 397 O LEU A 569 5.745 -21.122 13.364 1.00 32.03 O ATOM 398 CB LEU A 569 2.389 -21.682 13.104 1.00 1.12 C ATOM 399 CG LEU A 569 2.351 -20.423 12.236 1.00 42.24 C ATOM 400 CD1 LEU A 569 3.762 -19.998 11.824 1.00 2.24 C ATOM 401 CD2 LEU A 569 1.436 -20.619 11.025 1.00 1.03 C ATOM 0 H LEU A 569 3.411 -19.716 14.420 1.00 60.00 H new ATOM 0 HA LEU A 569 3.344 -22.653 14.711 1.00 54.34 H new ATOM 0 HB2 LEU A 569 2.421 -22.551 12.447 1.00 1.12 H new ATOM 0 HB3 LEU A 569 1.457 -21.741 13.665 1.00 1.12 H new ATOM 0 HG LEU A 569 1.930 -19.612 12.830 1.00 42.24 H new ATOM 0 HD11 LEU A 569 3.706 -19.101 11.208 1.00 2.24 H new ATOM 0 HD12 LEU A 569 4.354 -19.790 12.715 1.00 2.24 H new ATOM 0 HD13 LEU A 569 4.232 -20.800 11.255 1.00 2.24 H new ATOM 0 HD21 LEU A 569 1.427 -19.709 10.425 1.00 1.03 H new ATOM 0 HD22 LEU A 569 1.804 -21.448 10.421 1.00 1.03 H new ATOM 0 HD23 LEU A 569 0.424 -20.839 11.365 1.00 1.03 H new ATOM 413 N ARG A 570 5.083 -23.241 12.935 1.00 33.40 N ATOM 414 CA ARG A 570 6.322 -23.612 12.273 1.00 74.44 C ATOM 415 C ARG A 570 6.046 -24.629 11.163 1.00 63.11 C ATOM 416 O ARG A 570 4.902 -25.028 10.951 1.00 0.50 O ATOM 417 CB ARG A 570 7.320 -24.210 13.266 1.00 11.01 C ATOM 418 CG ARG A 570 8.225 -23.125 13.853 1.00 65.21 C ATOM 419 CD ARG A 570 7.683 -22.623 15.192 1.00 34.24 C ATOM 420 NE ARG A 570 7.593 -23.744 16.154 1.00 32.33 N ATOM 421 CZ ARG A 570 6.971 -23.668 17.350 1.00 3.52 C ATOM 422 NH1 ARG A 570 6.379 -22.520 17.742 1.00 54.41 N ATOM 423 NH2 ARG A 570 6.952 -24.732 18.131 1.00 1.30 N ATOM 0 H ARG A 570 4.387 -23.985 12.985 1.00 33.40 H new ATOM 0 HA ARG A 570 6.752 -22.707 11.844 1.00 74.44 H new ATOM 0 HB2 ARG A 570 6.782 -24.714 14.069 1.00 11.01 H new ATOM 0 HB3 ARG A 570 7.928 -24.965 12.767 1.00 11.01 H new ATOM 0 HG2 ARG A 570 9.231 -23.521 13.990 1.00 65.21 H new ATOM 0 HG3 ARG A 570 8.302 -22.293 13.153 1.00 65.21 H new ATOM 0 HD2 ARG A 570 8.334 -21.844 15.588 1.00 34.24 H new ATOM 0 HD3 ARG A 570 6.700 -22.175 15.051 1.00 34.24 H new ATOM 0 HE ARG A 570 8.028 -24.630 15.897 1.00 32.33 H new ATOM 0 HH11 ARG A 570 6.399 -21.702 17.133 1.00 54.41 H new ATOM 0 HH12 ARG A 570 5.911 -22.471 18.647 1.00 54.41 H new ATOM 0 HH21 ARG A 570 7.403 -25.595 17.828 1.00 1.30 H new ATOM 0 HH22 ARG A 570 6.486 -24.691 19.038 1.00 1.30 H new ATOM 436 N LYS A 571 7.115 -25.020 10.484 1.00 53.12 N ATOM 437 CA LYS A 571 7.003 -25.983 9.401 1.00 14.41 C ATOM 438 C LYS A 571 7.768 -27.254 9.774 1.00 41.25 C ATOM 439 O LYS A 571 8.654 -27.222 10.626 1.00 2.11 O ATOM 440 CB LYS A 571 7.454 -25.358 8.080 1.00 41.44 C ATOM 441 CG LYS A 571 8.979 -25.258 8.013 1.00 4.32 C ATOM 442 CD LYS A 571 9.454 -25.069 6.571 1.00 63.30 C ATOM 443 CE LYS A 571 8.641 -23.983 5.864 1.00 64.14 C ATOM 444 NZ LYS A 571 9.459 -23.319 4.824 1.00 53.41 N ATOM 0 H LYS A 571 8.063 -24.687 10.663 1.00 53.12 H new ATOM 0 HA LYS A 571 5.962 -26.270 9.252 1.00 14.41 H new ATOM 0 HB2 LYS A 571 7.088 -25.958 7.246 1.00 41.44 H new ATOM 0 HB3 LYS A 571 7.016 -24.365 7.975 1.00 41.44 H new ATOM 0 HG2 LYS A 571 9.319 -24.422 8.624 1.00 4.32 H new ATOM 0 HG3 LYS A 571 9.425 -26.161 8.431 1.00 4.32 H new ATOM 0 HD2 LYS A 571 10.510 -24.800 6.565 1.00 63.30 H new ATOM 0 HD3 LYS A 571 9.361 -26.009 6.028 1.00 63.30 H new ATOM 0 HE2 LYS A 571 7.752 -24.422 5.411 1.00 64.14 H new ATOM 0 HE3 LYS A 571 8.297 -23.246 6.590 1.00 64.14 H new ATOM 0 HZ1 LYS A 571 8.893 -22.584 4.353 1.00 53.41 H new ATOM 0 HZ2 LYS A 571 10.294 -22.883 5.265 1.00 53.41 H new ATOM 0 HZ3 LYS A 571 9.766 -24.022 4.122 1.00 53.41 H new ATOM 457 N VAL A 572 7.398 -28.343 9.116 1.00 44.00 N ATOM 458 CA VAL A 572 8.039 -29.623 9.367 1.00 2.43 C ATOM 459 C VAL A 572 8.613 -30.167 8.057 1.00 12.24 C ATOM 460 O VAL A 572 7.865 -30.522 7.148 1.00 35.11 O ATOM 461 CB VAL A 572 7.049 -30.582 10.031 1.00 63.32 C ATOM 462 CG1 VAL A 572 7.428 -32.039 9.754 1.00 4.53 C ATOM 463 CG2 VAL A 572 6.952 -30.317 11.534 1.00 4.34 C ATOM 0 H VAL A 572 6.663 -28.365 8.410 1.00 44.00 H new ATOM 0 HA VAL A 572 8.871 -29.504 10.061 1.00 2.43 H new ATOM 0 HB VAL A 572 6.066 -30.403 9.596 1.00 63.32 H new ATOM 0 HG11 VAL A 572 6.709 -32.700 10.237 1.00 4.53 H new ATOM 0 HG12 VAL A 572 7.421 -32.219 8.679 1.00 4.53 H new ATOM 0 HG13 VAL A 572 8.425 -32.237 10.149 1.00 4.53 H new ATOM 0 HG21 VAL A 572 6.242 -31.012 11.981 1.00 4.34 H new ATOM 0 HG22 VAL A 572 7.932 -30.455 11.992 1.00 4.34 H new ATOM 0 HG23 VAL A 572 6.614 -29.295 11.702 1.00 4.34 H new ATOM 473 N GLU A 573 9.936 -30.215 8.003 1.00 53.13 N ATOM 474 CA GLU A 573 10.618 -30.710 6.819 1.00 3.32 C ATOM 475 C GLU A 573 9.935 -30.186 5.554 1.00 30.04 C ATOM 476 O GLU A 573 9.857 -30.891 4.549 1.00 5.23 O ATOM 477 CB GLU A 573 10.676 -32.239 6.818 1.00 14.43 C ATOM 478 CG GLU A 573 9.269 -32.840 6.775 1.00 64.00 C ATOM 479 CD GLU A 573 9.322 -34.336 6.456 1.00 4.44 C ATOM 480 OE1 GLU A 573 10.020 -35.092 7.148 1.00 30.40 O ATOM 481 OE2 GLU A 573 8.604 -34.705 5.450 1.00 4.53 O ATOM 0 H GLU A 573 10.553 -29.920 8.759 1.00 53.13 H new ATOM 0 HA GLU A 573 11.643 -30.341 6.834 1.00 3.32 H new ATOM 0 HB2 GLU A 573 11.250 -32.584 5.958 1.00 14.43 H new ATOM 0 HB3 GLU A 573 11.197 -32.588 7.710 1.00 14.43 H new ATOM 0 HG2 GLU A 573 8.774 -32.686 7.734 1.00 64.00 H new ATOM 0 HG3 GLU A 573 8.672 -32.325 6.022 1.00 64.00 H new ATOM 489 N GLY A 574 9.457 -28.954 5.646 1.00 51.35 N ATOM 490 CA GLY A 574 8.783 -28.327 4.521 1.00 73.50 C ATOM 491 C GLY A 574 7.847 -29.316 3.823 1.00 62.55 C ATOM 492 O GLY A 574 7.886 -29.457 2.601 1.00 3.32 O ATOM 0 H GLY A 574 9.523 -28.373 6.482 1.00 51.35 H new ATOM 0 HA2 GLY A 574 8.214 -27.465 4.868 1.00 73.50 H new ATOM 0 HA3 GLY A 574 9.522 -27.956 3.810 1.00 73.50 H new ATOM 496 N THR A 575 7.028 -29.977 4.628 1.00 41.31 N ATOM 497 CA THR A 575 6.084 -30.949 4.102 1.00 3.55 C ATOM 498 C THR A 575 4.650 -30.537 4.442 1.00 44.21 C ATOM 499 O THR A 575 3.752 -30.663 3.612 1.00 55.12 O ATOM 500 CB THR A 575 6.467 -32.324 4.651 1.00 25.33 C ATOM 501 OG1 THR A 575 7.589 -32.712 3.863 1.00 24.31 O ATOM 502 CG2 THR A 575 5.413 -33.390 4.348 1.00 34.31 C ATOM 0 H THR A 575 6.998 -29.859 5.641 1.00 41.31 H new ATOM 0 HA THR A 575 6.127 -30.994 3.014 1.00 3.55 H new ATOM 0 HB THR A 575 6.615 -32.256 5.729 1.00 25.33 H new ATOM 0 HG1 THR A 575 7.985 -33.527 4.236 1.00 24.31 H new ATOM 0 HG21 THR A 575 5.734 -34.347 4.760 1.00 34.31 H new ATOM 0 HG22 THR A 575 4.464 -33.101 4.799 1.00 34.31 H new ATOM 0 HG23 THR A 575 5.289 -33.483 3.269 1.00 34.31 H new ATOM 510 N HIS A 576 4.481 -30.053 5.664 1.00 43.24 N ATOM 511 CA HIS A 576 3.172 -29.622 6.123 1.00 11.31 C ATOM 512 C HIS A 576 3.333 -28.651 7.295 1.00 62.21 C ATOM 513 O HIS A 576 4.028 -28.953 8.264 1.00 12.52 O ATOM 514 CB HIS A 576 2.293 -30.826 6.467 1.00 3.02 C ATOM 515 CG HIS A 576 1.534 -31.389 5.289 1.00 24.13 C ATOM 516 ND1 HIS A 576 1.745 -32.668 4.804 1.00 42.23 N ATOM 517 CD2 HIS A 576 0.564 -30.835 4.507 1.00 43.12 C ATOM 518 CE1 HIS A 576 0.934 -32.863 3.775 1.00 71.34 C ATOM 519 NE2 HIS A 576 0.203 -31.726 3.592 1.00 63.11 N ATOM 0 H HIS A 576 5.229 -29.950 6.350 1.00 43.24 H new ATOM 0 HA HIS A 576 2.659 -29.089 5.322 1.00 11.31 H new ATOM 0 HB2 HIS A 576 2.919 -31.611 6.891 1.00 3.02 H new ATOM 0 HB3 HIS A 576 1.581 -30.534 7.239 1.00 3.02 H new ATOM 0 HD2 HIS A 576 0.158 -29.840 4.614 1.00 43.12 H new ATOM 0 HE1 HIS A 576 0.864 -33.764 3.184 1.00 71.34 H new ATOM 0 HE2 HIS A 576 -0.504 -31.584 2.871 1.00 63.11 H new ATOM 527 N HIS A 577 2.680 -27.506 7.167 1.00 13.20 N ATOM 528 CA HIS A 577 2.742 -26.489 8.203 1.00 33.13 C ATOM 529 C HIS A 577 1.932 -26.945 9.419 1.00 62.11 C ATOM 530 O HIS A 577 0.860 -27.529 9.272 1.00 73.04 O ATOM 531 CB HIS A 577 2.285 -25.133 7.662 1.00 41.03 C ATOM 532 CG HIS A 577 3.368 -24.362 6.945 1.00 12.33 C ATOM 533 ND1 HIS A 577 4.226 -24.948 6.031 1.00 2.34 N ATOM 534 CD2 HIS A 577 3.721 -23.046 7.017 1.00 24.32 C ATOM 535 CE1 HIS A 577 5.055 -24.018 5.581 1.00 45.13 C ATOM 536 NE2 HIS A 577 4.741 -22.840 6.193 1.00 24.32 N ATOM 0 H HIS A 577 2.105 -27.260 6.361 1.00 13.20 H new ATOM 0 HA HIS A 577 3.775 -26.357 8.526 1.00 33.13 H new ATOM 0 HB2 HIS A 577 1.450 -25.288 6.978 1.00 41.03 H new ATOM 0 HB3 HIS A 577 1.911 -24.530 8.490 1.00 41.03 H new ATOM 0 HD1 HIS A 577 4.221 -25.929 5.751 1.00 2.34 H new ATOM 0 HD2 HIS A 577 3.250 -22.299 7.639 1.00 24.32 H new ATOM 0 HE1 HIS A 577 5.842 -24.166 4.856 1.00 45.13 H new ATOM 544 N VAL A 578 2.477 -26.661 10.593 1.00 61.33 N ATOM 545 CA VAL A 578 1.819 -27.035 11.833 1.00 2.12 C ATOM 546 C VAL A 578 2.025 -25.927 12.868 1.00 23.44 C ATOM 547 O VAL A 578 3.159 -25.568 13.181 1.00 25.53 O ATOM 548 CB VAL A 578 2.329 -28.398 12.306 1.00 1.21 C ATOM 549 CG1 VAL A 578 2.292 -29.421 11.170 1.00 64.44 C ATOM 550 CG2 VAL A 578 3.737 -28.282 12.895 1.00 75.30 C ATOM 0 H VAL A 578 3.367 -26.176 10.711 1.00 61.33 H new ATOM 0 HA VAL A 578 0.745 -27.141 11.679 1.00 2.12 H new ATOM 0 HB VAL A 578 1.664 -28.750 13.095 1.00 1.21 H new ATOM 0 HG11 VAL A 578 2.660 -30.381 11.533 1.00 64.44 H new ATOM 0 HG12 VAL A 578 1.267 -29.535 10.816 1.00 64.44 H new ATOM 0 HG13 VAL A 578 2.923 -29.077 10.350 1.00 64.44 H new ATOM 0 HG21 VAL A 578 4.076 -29.264 13.224 1.00 75.30 H new ATOM 0 HG22 VAL A 578 4.418 -27.898 12.136 1.00 75.30 H new ATOM 0 HG23 VAL A 578 3.721 -27.601 13.746 1.00 75.30 H new ATOM 560 N ASN A 579 0.911 -25.417 13.371 1.00 1.35 N ATOM 561 CA ASN A 579 0.955 -24.357 14.365 1.00 62.30 C ATOM 562 C ASN A 579 1.010 -24.977 15.763 1.00 41.12 C ATOM 563 O ASN A 579 0.021 -25.533 16.238 1.00 25.24 O ATOM 564 CB ASN A 579 -0.293 -23.477 14.287 1.00 54.31 C ATOM 565 CG ASN A 579 -0.429 -22.606 15.538 1.00 52.25 C ATOM 566 OD1 ASN A 579 -1.516 -22.327 16.017 1.00 72.35 O ATOM 567 ND2 ASN A 579 0.732 -22.193 16.038 1.00 52.32 N ATOM 0 H ASN A 579 -0.028 -25.718 13.109 1.00 1.35 H new ATOM 0 HA ASN A 579 1.838 -23.748 14.170 1.00 62.30 H new ATOM 0 HB2 ASN A 579 -0.240 -22.843 13.402 1.00 54.31 H new ATOM 0 HB3 ASN A 579 -1.178 -24.104 14.178 1.00 54.31 H new ATOM 0 HD21 ASN A 579 0.748 -21.606 16.872 1.00 52.32 H new ATOM 0 HD22 ASN A 579 1.606 -22.463 15.588 1.00 52.32 H new ATOM 574 N VAL A 580 2.176 -24.860 16.382 1.00 53.22 N ATOM 575 CA VAL A 580 2.372 -25.402 17.716 1.00 44.43 C ATOM 576 C VAL A 580 1.731 -24.465 18.741 1.00 31.15 C ATOM 577 O VAL A 580 1.886 -23.248 18.658 1.00 12.32 O ATOM 578 CB VAL A 580 3.863 -25.636 17.970 1.00 33.55 C ATOM 579 CG1 VAL A 580 4.074 -26.564 19.169 1.00 45.41 C ATOM 580 CG2 VAL A 580 4.552 -26.189 16.721 1.00 1.32 C ATOM 0 H VAL A 580 2.994 -24.398 15.985 1.00 53.22 H new ATOM 0 HA VAL A 580 1.883 -26.371 17.811 1.00 44.43 H new ATOM 0 HB VAL A 580 4.319 -24.674 18.205 1.00 33.55 H new ATOM 0 HG11 VAL A 580 5.142 -26.715 19.329 1.00 45.41 H new ATOM 0 HG12 VAL A 580 3.634 -26.114 20.059 1.00 45.41 H new ATOM 0 HG13 VAL A 580 3.597 -27.525 18.974 1.00 45.41 H new ATOM 0 HG21 VAL A 580 5.610 -26.346 16.929 1.00 1.32 H new ATOM 0 HG22 VAL A 580 4.092 -27.137 16.442 1.00 1.32 H new ATOM 0 HG23 VAL A 580 4.445 -25.478 15.902 1.00 1.32 H new ATOM 590 N ASN A 581 1.024 -25.069 19.685 1.00 11.25 N ATOM 591 CA ASN A 581 0.358 -24.304 20.726 1.00 22.03 C ATOM 592 C ASN A 581 -0.385 -25.261 21.660 1.00 74.20 C ATOM 593 O ASN A 581 -1.138 -26.120 21.203 1.00 12.01 O ATOM 594 CB ASN A 581 -0.665 -23.336 20.129 1.00 1.24 C ATOM 595 CG ASN A 581 -0.036 -21.965 19.870 1.00 73.34 C ATOM 596 OD1 ASN A 581 -0.010 -21.466 18.757 1.00 73.45 O ATOM 597 ND2 ASN A 581 0.467 -21.386 20.956 1.00 64.51 N ATOM 0 H ASN A 581 0.898 -26.079 19.751 1.00 11.25 H new ATOM 0 HA ASN A 581 1.117 -23.738 21.267 1.00 22.03 H new ATOM 0 HB2 ASN A 581 -1.055 -23.743 19.196 1.00 1.24 H new ATOM 0 HB3 ASN A 581 -1.510 -23.230 20.809 1.00 1.24 H new ATOM 0 HD21 ASN A 581 0.908 -20.469 20.887 1.00 64.51 H new ATOM 0 HD22 ASN A 581 0.412 -21.859 21.858 1.00 64.51 H new ATOM 604 N PRO A 582 -0.142 -25.076 22.985 1.00 32.32 N ATOM 605 CA PRO A 582 -0.780 -25.913 23.987 1.00 30.21 C ATOM 606 C PRO A 582 -2.250 -25.529 24.168 1.00 41.41 C ATOM 607 O PRO A 582 -3.096 -26.389 24.407 1.00 64.22 O ATOM 608 CB PRO A 582 0.045 -25.716 25.248 1.00 2.51 C ATOM 609 CG PRO A 582 0.827 -24.429 25.037 1.00 23.31 C ATOM 610 CD PRO A 582 0.743 -24.069 23.563 1.00 63.42 C ATOM 0 HA PRO A 582 -0.803 -26.965 23.703 1.00 30.21 H new ATOM 0 HB2 PRO A 582 -0.596 -25.644 26.127 1.00 2.51 H new ATOM 0 HB3 PRO A 582 0.717 -26.559 25.411 1.00 2.51 H new ATOM 0 HG2 PRO A 582 0.415 -23.627 25.650 1.00 23.31 H new ATOM 0 HG3 PRO A 582 1.866 -24.560 25.339 1.00 23.31 H new ATOM 0 HD2 PRO A 582 0.344 -23.064 23.423 1.00 63.42 H new ATOM 0 HD3 PRO A 582 1.727 -24.090 23.094 1.00 63.42 H new ATOM 618 N ASN A 583 -2.509 -24.235 24.047 1.00 50.13 N ATOM 619 CA ASN A 583 -3.862 -23.726 24.194 1.00 50.24 C ATOM 620 C ASN A 583 -4.643 -23.985 22.904 1.00 62.43 C ATOM 621 O ASN A 583 -5.823 -23.652 22.810 1.00 11.24 O ATOM 622 CB ASN A 583 -3.858 -22.217 24.448 1.00 31.23 C ATOM 623 CG ASN A 583 -2.663 -21.810 25.312 1.00 23.10 C ATOM 624 OD1 ASN A 583 -2.414 -22.360 26.372 1.00 23.22 O ATOM 625 ND2 ASN A 583 -1.939 -20.818 24.801 1.00 31.01 N ATOM 0 H ASN A 583 -1.805 -23.524 23.849 1.00 50.13 H new ATOM 0 HA ASN A 583 -4.323 -24.234 25.041 1.00 50.24 H new ATOM 0 HB2 ASN A 583 -3.822 -21.685 23.498 1.00 31.23 H new ATOM 0 HB3 ASN A 583 -4.785 -21.925 24.942 1.00 31.23 H new ATOM 0 HD21 ASN A 583 -1.120 -20.474 25.302 1.00 31.01 H new ATOM 0 HD22 ASN A 583 -2.203 -20.401 23.908 1.00 31.01 H new ATOM 632 N PHE A 584 -3.952 -24.578 21.941 1.00 73.31 N ATOM 633 CA PHE A 584 -4.566 -24.887 20.660 1.00 12.55 C ATOM 634 C PHE A 584 -5.577 -26.027 20.797 1.00 12.24 C ATOM 635 O PHE A 584 -6.572 -26.069 20.076 1.00 54.22 O ATOM 636 CB PHE A 584 -3.443 -25.327 19.720 1.00 24.23 C ATOM 637 CG PHE A 584 -3.690 -24.982 18.250 1.00 3.34 C ATOM 638 CD1 PHE A 584 -3.700 -23.682 17.850 1.00 75.12 C ATOM 639 CD2 PHE A 584 -3.899 -25.974 17.344 1.00 24.33 C ATOM 640 CE1 PHE A 584 -3.930 -23.361 16.486 1.00 62.44 C ATOM 641 CE2 PHE A 584 -4.128 -25.654 15.980 1.00 1.42 C ATOM 642 CZ PHE A 584 -4.139 -24.354 15.580 1.00 64.04 C ATOM 0 H PHE A 584 -2.973 -24.853 22.022 1.00 73.31 H new ATOM 0 HA PHE A 584 -5.095 -24.013 20.281 1.00 12.55 H new ATOM 0 HB2 PHE A 584 -2.511 -24.860 20.040 1.00 24.23 H new ATOM 0 HB3 PHE A 584 -3.308 -26.405 19.812 1.00 24.23 H new ATOM 0 HD1 PHE A 584 -3.533 -22.894 18.570 1.00 75.12 H new ATOM 0 HD2 PHE A 584 -3.891 -27.006 17.662 1.00 24.33 H new ATOM 0 HE1 PHE A 584 -3.939 -22.329 16.168 1.00 62.44 H new ATOM 0 HE2 PHE A 584 -4.293 -26.442 15.260 1.00 1.42 H new ATOM 0 HZ PHE A 584 -4.314 -24.110 14.543 1.00 64.04 H new ATOM 652 N SER A 585 -5.287 -26.924 21.728 1.00 1.44 N ATOM 653 CA SER A 585 -6.158 -28.061 21.969 1.00 32.32 C ATOM 654 C SER A 585 -7.565 -27.577 22.327 1.00 42.34 C ATOM 655 O SER A 585 -8.540 -28.304 22.146 1.00 54.44 O ATOM 656 CB SER A 585 -5.605 -28.953 23.083 1.00 51.41 C ATOM 657 OG SER A 585 -6.022 -30.308 22.939 1.00 41.33 O ATOM 0 H SER A 585 -4.461 -26.886 22.325 1.00 1.44 H new ATOM 0 HA SER A 585 -6.206 -28.654 21.055 1.00 32.32 H new ATOM 0 HB2 SER A 585 -4.516 -28.906 23.078 1.00 51.41 H new ATOM 0 HB3 SER A 585 -5.936 -28.573 24.050 1.00 51.41 H new ATOM 0 HG SER A 585 -5.647 -30.845 23.668 1.00 41.33 H new ATOM 663 N ASN A 586 -7.624 -26.352 22.828 1.00 54.44 N ATOM 664 CA ASN A 586 -8.895 -25.761 23.212 1.00 73.30 C ATOM 665 C ASN A 586 -9.520 -25.070 21.998 1.00 23.30 C ATOM 666 O ASN A 586 -10.717 -24.789 21.987 1.00 31.11 O ATOM 667 CB ASN A 586 -8.706 -24.711 24.308 1.00 4.01 C ATOM 668 CG ASN A 586 -8.731 -25.356 25.695 1.00 13.45 C ATOM 669 OD1 ASN A 586 -9.680 -25.225 26.452 1.00 44.51 O ATOM 670 ND2 ASN A 586 -7.640 -26.057 25.986 1.00 24.22 N ATOM 0 H ASN A 586 -6.812 -25.752 22.977 1.00 54.44 H new ATOM 0 HA ASN A 586 -9.538 -26.559 23.584 1.00 73.30 H new ATOM 0 HB2 ASN A 586 -7.758 -24.193 24.161 1.00 4.01 H new ATOM 0 HB3 ASN A 586 -9.494 -23.961 24.238 1.00 4.01 H new ATOM 0 HD21 ASN A 586 -7.561 -26.526 26.888 1.00 24.22 H new ATOM 0 HD22 ASN A 586 -6.882 -26.126 25.307 1.00 24.22 H new ATOM 677 N TYR A 587 -8.680 -24.816 21.005 1.00 31.50 N ATOM 678 CA TYR A 587 -9.135 -24.164 19.789 1.00 4.30 C ATOM 679 C TYR A 587 -9.529 -25.193 18.728 1.00 33.55 C ATOM 680 O TYR A 587 -9.875 -24.831 17.605 1.00 71.40 O ATOM 681 CB TYR A 587 -7.944 -23.352 19.276 1.00 42.40 C ATOM 682 CG TYR A 587 -7.866 -21.933 19.845 1.00 74.43 C ATOM 683 CD1 TYR A 587 -8.968 -21.104 19.782 1.00 3.31 C ATOM 684 CD2 TYR A 587 -6.696 -21.484 20.420 1.00 4.42 C ATOM 685 CE1 TYR A 587 -8.895 -19.769 20.317 1.00 1.13 C ATOM 686 CE2 TYR A 587 -6.623 -20.149 20.956 1.00 42.25 C ATOM 687 CZ TYR A 587 -7.726 -19.357 20.878 1.00 71.33 C ATOM 688 OH TYR A 587 -7.657 -18.097 21.383 1.00 14.32 O ATOM 0 H TYR A 587 -7.687 -25.050 21.018 1.00 31.50 H new ATOM 0 HA TYR A 587 -10.009 -23.545 19.990 1.00 4.30 H new ATOM 0 HB2 TYR A 587 -7.024 -23.882 19.521 1.00 42.40 H new ATOM 0 HB3 TYR A 587 -7.998 -23.294 18.189 1.00 42.40 H new ATOM 0 HD1 TYR A 587 -9.884 -21.456 19.332 1.00 3.31 H new ATOM 0 HD2 TYR A 587 -5.834 -22.133 20.469 1.00 4.42 H new ATOM 0 HE1 TYR A 587 -9.749 -19.110 20.274 1.00 1.13 H new ATOM 0 HE2 TYR A 587 -5.713 -19.785 21.410 1.00 42.25 H new ATOM 0 HH TYR A 587 -7.695 -17.448 20.650 1.00 14.32 H new ATOM 698 N TYR A 588 -9.464 -26.457 19.123 1.00 14.41 N ATOM 699 CA TYR A 588 -9.811 -27.541 18.220 1.00 23.44 C ATOM 700 C TYR A 588 -10.068 -28.837 18.993 1.00 3.31 C ATOM 701 O TYR A 588 -9.620 -28.985 20.129 1.00 33.22 O ATOM 702 CB TYR A 588 -8.596 -27.737 17.311 1.00 53.35 C ATOM 703 CG TYR A 588 -7.478 -28.573 17.936 1.00 74.32 C ATOM 704 CD1 TYR A 588 -7.668 -29.922 18.159 1.00 33.04 C ATOM 705 CD2 TYR A 588 -6.280 -27.979 18.276 1.00 31.54 C ATOM 706 CE1 TYR A 588 -6.616 -30.709 18.748 1.00 71.51 C ATOM 707 CE2 TYR A 588 -5.228 -28.767 18.865 1.00 41.01 C ATOM 708 CZ TYR A 588 -5.448 -30.093 19.072 1.00 62.14 C ATOM 709 OH TYR A 588 -4.454 -30.837 19.627 1.00 11.24 O ATOM 0 H TYR A 588 -9.176 -26.754 20.056 1.00 14.41 H new ATOM 0 HA TYR A 588 -10.717 -27.302 17.663 1.00 23.44 H new ATOM 0 HB2 TYR A 588 -8.920 -28.216 16.387 1.00 53.35 H new ATOM 0 HB3 TYR A 588 -8.197 -26.760 17.040 1.00 53.35 H new ATOM 0 HD1 TYR A 588 -8.605 -30.387 17.892 1.00 33.04 H new ATOM 0 HD2 TYR A 588 -6.131 -26.924 18.101 1.00 31.54 H new ATOM 0 HE1 TYR A 588 -6.752 -31.765 18.928 1.00 71.51 H new ATOM 0 HE2 TYR A 588 -4.285 -28.315 19.136 1.00 41.01 H new ATOM 0 HH TYR A 588 -3.678 -30.265 19.805 1.00 11.24 H new ATOM 719 N ASN A 589 -10.787 -29.741 18.346 1.00 74.42 N ATOM 720 CA ASN A 589 -11.109 -31.019 18.958 1.00 73.31 C ATOM 721 C ASN A 589 -10.752 -32.148 17.989 1.00 30.30 C ATOM 722 O ASN A 589 -11.172 -32.136 16.833 1.00 14.52 O ATOM 723 CB ASN A 589 -12.604 -31.120 19.270 1.00 4.42 C ATOM 724 CG ASN A 589 -12.998 -30.147 20.383 1.00 4.52 C ATOM 725 OD1 ASN A 589 -13.020 -30.481 21.556 1.00 12.14 O ATOM 726 ND2 ASN A 589 -13.306 -28.927 19.952 1.00 70.05 N ATOM 0 H ASN A 589 -11.156 -29.614 17.404 1.00 74.42 H new ATOM 0 HA ASN A 589 -10.541 -31.101 19.884 1.00 73.31 H new ATOM 0 HB2 ASN A 589 -13.182 -30.904 18.372 1.00 4.42 H new ATOM 0 HB3 ASN A 589 -12.849 -32.139 19.569 1.00 4.42 H new ATOM 0 HD21 ASN A 589 -13.581 -28.205 20.618 1.00 70.05 H new ATOM 0 HD22 ASN A 589 -13.267 -28.713 18.955 1.00 70.05 H new ATOM 733 N VAL A 590 -9.980 -33.098 18.496 1.00 2.12 N ATOM 734 CA VAL A 590 -9.561 -34.232 17.690 1.00 31.22 C ATOM 735 C VAL A 590 -10.742 -35.188 17.510 1.00 53.21 C ATOM 736 O VAL A 590 -11.441 -35.505 18.471 1.00 22.33 O ATOM 737 CB VAL A 590 -8.341 -34.903 18.324 1.00 1.13 C ATOM 738 CG1 VAL A 590 -8.154 -36.323 17.786 1.00 14.13 C ATOM 739 CG2 VAL A 590 -7.080 -34.064 18.107 1.00 22.14 C ATOM 0 H VAL A 590 -9.634 -33.106 19.455 1.00 2.12 H new ATOM 0 HA VAL A 590 -9.255 -33.902 16.697 1.00 31.22 H new ATOM 0 HB VAL A 590 -8.517 -34.973 19.397 1.00 1.13 H new ATOM 0 HG11 VAL A 590 -7.280 -36.777 18.253 1.00 14.13 H new ATOM 0 HG12 VAL A 590 -9.038 -36.918 18.015 1.00 14.13 H new ATOM 0 HG13 VAL A 590 -8.011 -36.287 16.706 1.00 14.13 H new ATOM 0 HG21 VAL A 590 -6.227 -34.563 18.567 1.00 22.14 H new ATOM 0 HG22 VAL A 590 -6.899 -33.948 17.038 1.00 22.14 H new ATOM 0 HG23 VAL A 590 -7.214 -33.082 18.561 1.00 22.14 H new ATOM 749 N SER A 591 -10.929 -35.620 16.271 1.00 12.43 N ATOM 750 CA SER A 591 -12.014 -36.533 15.953 1.00 42.53 C ATOM 751 C SER A 591 -11.915 -37.787 16.823 1.00 3.23 C ATOM 752 O SER A 591 -10.954 -37.952 17.573 1.00 22.11 O ATOM 753 CB SER A 591 -11.997 -36.912 14.471 1.00 65.32 C ATOM 754 OG SER A 591 -12.961 -37.916 14.166 1.00 61.24 O ATOM 0 H SER A 591 -10.348 -35.355 15.476 1.00 12.43 H new ATOM 0 HA SER A 591 -12.958 -36.029 16.161 1.00 42.53 H new ATOM 0 HB2 SER A 591 -12.193 -36.026 13.868 1.00 65.32 H new ATOM 0 HB3 SER A 591 -11.004 -37.269 14.199 1.00 65.32 H new ATOM 0 HG SER A 591 -12.920 -38.129 13.210 1.00 61.24 H new ATOM 966 N TRP A 604 7.302 -39.063 10.875 1.00 33.50 N ATOM 967 CA TRP A 604 6.351 -38.706 11.914 1.00 51.10 C ATOM 968 C TRP A 604 5.120 -39.602 11.758 1.00 45.35 C ATOM 969 O TRP A 604 4.936 -40.234 10.719 1.00 45.25 O ATOM 970 CB TRP A 604 6.015 -37.214 11.860 1.00 21.31 C ATOM 971 CG TRP A 604 5.254 -36.793 10.602 1.00 51.24 C ATOM 972 CD1 TRP A 604 5.025 -37.514 9.496 1.00 51.14 C ATOM 973 CD2 TRP A 604 4.627 -35.515 10.364 1.00 53.04 C ATOM 974 NE1 TRP A 604 4.299 -36.797 8.566 1.00 61.42 N ATOM 975 CE2 TRP A 604 4.049 -35.543 9.111 1.00 62.24 C ATOM 976 CE3 TRP A 604 4.550 -34.373 11.180 1.00 32.12 C ATOM 977 CZ2 TRP A 604 3.354 -34.459 8.562 1.00 2.32 C ATOM 978 CZ3 TRP A 604 3.852 -33.298 10.618 1.00 52.34 C ATOM 979 CH2 TRP A 604 3.265 -33.310 9.358 1.00 71.23 C ATOM 0 HA TRP A 604 6.779 -38.873 12.902 1.00 51.10 H new ATOM 0 HB2 TRP A 604 5.421 -36.954 12.736 1.00 21.31 H new ATOM 0 HB3 TRP A 604 6.940 -36.641 11.921 1.00 21.31 H new ATOM 0 HD1 TRP A 604 5.366 -38.529 9.350 1.00 51.14 H new ATOM 0 HE1 TRP A 604 4.001 -37.127 7.648 1.00 61.42 H new ATOM 0 HE3 TRP A 604 4.995 -34.329 12.163 1.00 32.12 H new ATOM 0 HZ2 TRP A 604 2.911 -34.506 7.578 1.00 2.32 H new ATOM 0 HZ3 TRP A 604 3.763 -32.396 11.205 1.00 52.34 H new ATOM 0 HH2 TRP A 604 2.743 -32.437 8.995 1.00 71.23 H new ATOM 990 N LYS A 605 4.310 -39.628 12.805 1.00 11.52 N ATOM 991 CA LYS A 605 3.102 -40.435 12.797 1.00 21.42 C ATOM 992 C LYS A 605 1.879 -39.517 12.846 1.00 22.23 C ATOM 993 O LYS A 605 1.969 -38.382 13.311 1.00 30.14 O ATOM 994 CB LYS A 605 3.141 -41.468 13.925 1.00 21.51 C ATOM 995 CG LYS A 605 2.575 -40.886 15.222 1.00 63.01 C ATOM 996 CD LYS A 605 2.790 -41.846 16.394 1.00 45.22 C ATOM 997 CE LYS A 605 1.679 -41.699 17.434 1.00 14.54 C ATOM 998 NZ LYS A 605 2.152 -42.140 18.765 1.00 5.02 N ATOM 0 H LYS A 605 4.466 -39.103 13.665 1.00 11.52 H new ATOM 0 HA LYS A 605 3.033 -41.008 11.872 1.00 21.42 H new ATOM 0 HB2 LYS A 605 2.567 -42.348 13.636 1.00 21.51 H new ATOM 0 HB3 LYS A 605 4.168 -41.796 14.087 1.00 21.51 H new ATOM 0 HG2 LYS A 605 3.055 -39.931 15.436 1.00 63.01 H new ATOM 0 HG3 LYS A 605 1.510 -40.687 15.101 1.00 63.01 H new ATOM 0 HD2 LYS A 605 2.817 -42.872 16.028 1.00 45.22 H new ATOM 0 HD3 LYS A 605 3.756 -41.648 16.858 1.00 45.22 H new ATOM 0 HE2 LYS A 605 1.354 -40.660 17.483 1.00 14.54 H new ATOM 0 HE3 LYS A 605 0.813 -42.290 17.135 1.00 14.54 H new ATOM 0 HZ1 LYS A 605 1.385 -42.033 19.459 1.00 5.02 H new ATOM 0 HZ2 LYS A 605 2.440 -43.138 18.718 1.00 5.02 H new ATOM 0 HZ3 LYS A 605 2.964 -41.559 19.055 1.00 5.02 H new ATOM 1011 N PRO A 606 0.735 -40.057 12.347 1.00 40.20 N ATOM 1012 CA PRO A 606 -0.504 -39.299 12.329 1.00 14.34 C ATOM 1013 C PRO A 606 -1.115 -39.213 13.730 1.00 62.21 C ATOM 1014 O PRO A 606 -0.629 -39.851 14.663 1.00 42.23 O ATOM 1015 CB PRO A 606 -1.396 -40.026 11.336 1.00 11.51 C ATOM 1016 CG PRO A 606 -0.803 -41.417 11.184 1.00 35.05 C ATOM 1017 CD PRO A 606 0.591 -41.398 11.788 1.00 44.10 C ATOM 0 HA PRO A 606 -0.358 -38.262 12.028 1.00 14.34 H new ATOM 0 HB2 PRO A 606 -2.423 -40.077 11.698 1.00 11.51 H new ATOM 0 HB3 PRO A 606 -1.421 -39.505 10.379 1.00 11.51 H new ATOM 0 HG2 PRO A 606 -1.427 -42.155 11.688 1.00 35.05 H new ATOM 0 HG3 PRO A 606 -0.760 -41.701 10.132 1.00 35.05 H new ATOM 0 HD2 PRO A 606 0.699 -42.162 12.558 1.00 44.10 H new ATOM 0 HD3 PRO A 606 1.352 -41.596 11.033 1.00 44.10 H new ATOM 1025 N GLY A 607 -2.171 -38.420 13.833 1.00 70.02 N ATOM 1026 CA GLY A 607 -2.853 -38.243 15.104 1.00 70.05 C ATOM 1027 C GLY A 607 -4.367 -38.388 14.938 1.00 12.31 C ATOM 1028 O GLY A 607 -4.869 -39.490 14.721 1.00 50.50 O ATOM 0 H GLY A 607 -2.571 -37.893 13.057 1.00 70.02 H new ATOM 0 HA2 GLY A 607 -2.490 -38.979 15.821 1.00 70.05 H new ATOM 0 HA3 GLY A 607 -2.621 -37.259 15.512 1.00 70.05 H new ATOM 1032 N GLY A 608 -5.053 -37.259 15.047 1.00 63.20 N ATOM 1033 CA GLY A 608 -6.499 -37.246 14.912 1.00 35.41 C ATOM 1034 C GLY A 608 -6.967 -36.013 14.137 1.00 10.31 C ATOM 1035 O GLY A 608 -6.351 -34.951 14.223 1.00 72.44 O ATOM 0 H GLY A 608 -4.633 -36.347 15.227 1.00 63.20 H new ATOM 0 HA2 GLY A 608 -6.828 -38.149 14.398 1.00 35.41 H new ATOM 0 HA3 GLY A 608 -6.960 -37.256 15.900 1.00 35.41 H new ATOM 1039 N VAL A 609 -8.052 -36.194 13.398 1.00 0.55 N ATOM 1040 CA VAL A 609 -8.609 -35.108 12.609 1.00 72.40 C ATOM 1041 C VAL A 609 -8.852 -33.898 13.513 1.00 64.01 C ATOM 1042 O VAL A 609 -9.525 -34.008 14.537 1.00 64.24 O ATOM 1043 CB VAL A 609 -9.875 -35.581 11.890 1.00 45.40 C ATOM 1044 CG1 VAL A 609 -10.475 -34.457 11.043 1.00 71.24 C ATOM 1045 CG2 VAL A 609 -9.591 -36.819 11.037 1.00 1.04 C ATOM 0 H VAL A 609 -8.560 -37.076 13.329 1.00 0.55 H new ATOM 0 HA VAL A 609 -7.907 -34.799 11.835 1.00 72.40 H new ATOM 0 HB VAL A 609 -10.608 -35.858 12.648 1.00 45.40 H new ATOM 0 HG11 VAL A 609 -11.373 -34.818 10.542 1.00 71.24 H new ATOM 0 HG12 VAL A 609 -10.732 -33.615 11.685 1.00 71.24 H new ATOM 0 HG13 VAL A 609 -9.748 -34.136 10.297 1.00 71.24 H new ATOM 0 HG21 VAL A 609 -10.507 -37.134 10.537 1.00 1.04 H new ATOM 0 HG22 VAL A 609 -8.834 -36.580 10.290 1.00 1.04 H new ATOM 0 HG23 VAL A 609 -9.230 -37.625 11.675 1.00 1.04 H new ATOM 1055 N ILE A 610 -8.290 -32.771 13.102 1.00 42.31 N ATOM 1056 CA ILE A 610 -8.436 -31.541 13.862 1.00 55.02 C ATOM 1057 C ILE A 610 -9.601 -30.729 13.290 1.00 25.12 C ATOM 1058 O ILE A 610 -9.848 -30.756 12.086 1.00 75.13 O ATOM 1059 CB ILE A 610 -7.113 -30.774 13.901 1.00 21.42 C ATOM 1060 CG1 ILE A 610 -5.922 -31.732 13.823 1.00 32.11 C ATOM 1061 CG2 ILE A 610 -7.040 -29.869 15.132 1.00 13.23 C ATOM 1062 CD1 ILE A 610 -4.637 -31.049 14.294 1.00 0.53 C ATOM 0 H ILE A 610 -7.733 -32.684 12.252 1.00 42.31 H new ATOM 0 HA ILE A 610 -8.680 -31.762 14.901 1.00 55.02 H new ATOM 0 HB ILE A 610 -7.066 -30.129 13.024 1.00 21.42 H new ATOM 0 HG12 ILE A 610 -6.117 -32.611 14.437 1.00 32.11 H new ATOM 0 HG13 ILE A 610 -5.798 -32.081 12.798 1.00 32.11 H new ATOM 0 HG21 ILE A 610 -6.090 -29.335 15.135 1.00 13.23 H new ATOM 0 HG22 ILE A 610 -7.859 -29.151 15.105 1.00 13.23 H new ATOM 0 HG23 ILE A 610 -7.119 -30.475 16.034 1.00 13.23 H new ATOM 0 HD11 ILE A 610 -3.806 -31.752 14.228 1.00 0.53 H new ATOM 0 HD12 ILE A 610 -4.432 -30.185 13.662 1.00 0.53 H new ATOM 0 HD13 ILE A 610 -4.756 -30.723 15.327 1.00 0.53 H new ATOM 1074 N SER A 611 -10.284 -30.026 14.181 1.00 23.04 N ATOM 1075 CA SER A 611 -11.416 -29.208 13.781 1.00 43.22 C ATOM 1076 C SER A 611 -11.531 -27.989 14.698 1.00 1.31 C ATOM 1077 O SER A 611 -11.672 -28.132 15.912 1.00 44.43 O ATOM 1078 CB SER A 611 -12.715 -30.015 13.805 1.00 20.34 C ATOM 1079 OG SER A 611 -12.639 -31.122 14.700 1.00 63.34 O ATOM 0 H SER A 611 -10.075 -30.006 15.179 1.00 23.04 H new ATOM 0 HA SER A 611 -11.249 -28.870 12.758 1.00 43.22 H new ATOM 0 HB2 SER A 611 -13.540 -29.366 14.100 1.00 20.34 H new ATOM 0 HB3 SER A 611 -12.937 -30.375 12.800 1.00 20.34 H new ATOM 0 HG SER A 611 -12.167 -30.852 15.515 1.00 63.34 H new ATOM 1085 N CYS A 612 -11.467 -26.817 14.083 1.00 60.11 N ATOM 1086 CA CYS A 612 -11.562 -25.574 14.829 1.00 53.21 C ATOM 1087 C CYS A 612 -12.764 -25.670 15.771 1.00 52.23 C ATOM 1088 O CYS A 612 -13.899 -25.820 15.321 1.00 12.21 O ATOM 1089 CB CYS A 612 -11.661 -24.363 13.899 1.00 1.43 C ATOM 1090 SG CYS A 612 -11.506 -22.741 14.733 1.00 12.10 S ATOM 0 H CYS A 612 -11.350 -26.702 13.076 1.00 60.11 H new ATOM 0 HA CYS A 612 -10.654 -25.427 15.414 1.00 53.21 H new ATOM 0 HB2 CYS A 612 -10.883 -24.441 13.139 1.00 1.43 H new ATOM 0 HB3 CYS A 612 -12.619 -24.399 13.379 1.00 1.43 H new ATOM 0 HG CYS A 612 -12.458 -21.953 14.330 1.00 12.10 H new ATOM 1095 N ARG A 613 -12.474 -25.579 17.060 1.00 23.22 N ATOM 1096 CA ARG A 613 -13.517 -25.654 18.069 1.00 4.13 C ATOM 1097 C ARG A 613 -14.386 -24.396 18.028 1.00 54.11 C ATOM 1098 O ARG A 613 -15.554 -24.431 18.414 1.00 23.12 O ATOM 1099 CB ARG A 613 -12.918 -25.806 19.469 1.00 34.22 C ATOM 1100 CG ARG A 613 -13.977 -25.562 20.547 1.00 25.11 C ATOM 1101 CD ARG A 613 -13.364 -25.651 21.947 1.00 74.45 C ATOM 1102 NE ARG A 613 -14.306 -26.324 22.869 1.00 15.40 N ATOM 1103 CZ ARG A 613 -14.154 -26.364 24.210 1.00 40.32 C ATOM 1104 NH1 ARG A 613 -13.093 -25.770 24.797 1.00 54.52 N ATOM 1105 NH2 ARG A 613 -15.057 -26.993 24.938 1.00 14.11 N ATOM 0 H ARG A 613 -11.531 -25.454 17.429 1.00 23.22 H new ATOM 0 HA ARG A 613 -14.128 -26.529 17.850 1.00 4.13 H new ATOM 0 HB2 ARG A 613 -12.501 -26.806 19.584 1.00 34.22 H new ATOM 0 HB3 ARG A 613 -12.096 -25.102 19.595 1.00 34.22 H new ATOM 0 HG2 ARG A 613 -14.427 -24.579 20.405 1.00 25.11 H new ATOM 0 HG3 ARG A 613 -14.777 -26.296 20.449 1.00 25.11 H new ATOM 0 HD2 ARG A 613 -12.424 -26.202 21.907 1.00 74.45 H new ATOM 0 HD3 ARG A 613 -13.132 -24.652 22.316 1.00 74.45 H new ATOM 0 HE ARG A 613 -15.121 -26.787 22.466 1.00 15.40 H new ATOM 0 HH11 ARG A 613 -12.399 -25.287 24.227 1.00 54.52 H new ATOM 0 HH12 ARG A 613 -12.985 -25.805 25.811 1.00 54.52 H new ATOM 0 HH21 ARG A 613 -15.855 -27.440 24.486 1.00 14.11 H new ATOM 0 HH22 ARG A 613 -14.957 -27.032 25.952 1.00 14.11 H new ATOM 1118 N ASN A 614 -13.784 -23.314 17.556 1.00 74.20 N ATOM 1119 CA ASN A 614 -14.490 -22.047 17.459 1.00 25.41 C ATOM 1120 C ASN A 614 -15.612 -22.171 16.426 1.00 4.13 C ATOM 1121 O ASN A 614 -16.695 -21.620 16.613 1.00 34.11 O ATOM 1122 CB ASN A 614 -13.551 -20.928 17.006 1.00 43.25 C ATOM 1123 CG ASN A 614 -12.429 -20.707 18.023 1.00 52.15 C ATOM 1124 OD1 ASN A 614 -12.492 -21.145 19.160 1.00 40.34 O ATOM 1125 ND2 ASN A 614 -11.402 -20.005 17.552 1.00 54.04 N ATOM 0 H ASN A 614 -12.816 -23.288 17.237 1.00 74.20 H new ATOM 0 HA ASN A 614 -14.889 -21.806 18.444 1.00 25.41 H new ATOM 0 HB2 ASN A 614 -13.123 -21.179 16.036 1.00 43.25 H new ATOM 0 HB3 ASN A 614 -14.116 -20.005 16.876 1.00 43.25 H new ATOM 0 HD21 ASN A 614 -10.603 -19.804 18.153 1.00 54.04 H new ATOM 0 HD22 ASN A 614 -11.413 -19.668 16.589 1.00 54.04 H new ATOM 1132 N CYS A 615 -15.313 -22.897 15.359 1.00 21.33 N ATOM 1133 CA CYS A 615 -16.283 -23.100 14.297 1.00 60.24 C ATOM 1134 C CYS A 615 -16.464 -24.606 14.092 1.00 1.44 C ATOM 1135 O CYS A 615 -17.483 -25.171 14.485 1.00 13.23 O ATOM 1136 CB CYS A 615 -15.863 -22.395 13.005 1.00 20.42 C ATOM 1137 SG CYS A 615 -14.824 -20.909 13.246 1.00 44.54 S ATOM 0 H CYS A 615 -14.413 -23.352 15.207 1.00 21.33 H new ATOM 0 HA CYS A 615 -17.237 -22.656 14.583 1.00 60.24 H new ATOM 0 HB2 CYS A 615 -15.319 -23.104 12.381 1.00 20.42 H new ATOM 0 HB3 CYS A 615 -16.760 -22.109 12.455 1.00 20.42 H new ATOM 0 HG CYS A 615 -14.219 -20.984 14.394 1.00 44.54 H new ATOM 1142 N GLY A 616 -15.459 -25.212 13.478 1.00 21.10 N ATOM 1143 CA GLY A 616 -15.494 -26.641 13.217 1.00 74.12 C ATOM 1144 C GLY A 616 -14.731 -26.983 11.936 1.00 63.50 C ATOM 1145 O GLY A 616 -14.363 -28.137 11.718 1.00 41.22 O ATOM 0 H GLY A 616 -14.615 -24.740 13.154 1.00 21.10 H new ATOM 0 HA2 GLY A 616 -15.058 -27.179 14.059 1.00 74.12 H new ATOM 0 HA3 GLY A 616 -16.528 -26.973 13.128 1.00 74.12 H new ATOM 1149 N GLU A 617 -14.515 -25.960 11.122 1.00 22.43 N ATOM 1150 CA GLU A 617 -13.802 -26.138 9.869 1.00 64.50 C ATOM 1151 C GLU A 617 -12.588 -27.048 10.073 1.00 10.43 C ATOM 1152 O GLU A 617 -11.563 -26.613 10.597 1.00 54.33 O ATOM 1153 CB GLU A 617 -13.383 -24.790 9.280 1.00 54.03 C ATOM 1154 CG GLU A 617 -13.021 -24.927 7.800 1.00 62.14 C ATOM 1155 CD GLU A 617 -13.094 -23.574 7.090 1.00 41.34 C ATOM 1156 OE1 GLU A 617 -12.716 -22.547 7.673 1.00 55.53 O ATOM 1157 OE2 GLU A 617 -13.562 -23.613 5.888 1.00 1.11 O ATOM 0 H GLU A 617 -14.822 -25.005 11.306 1.00 22.43 H new ATOM 0 HA GLU A 617 -14.474 -26.616 9.156 1.00 64.50 H new ATOM 0 HB2 GLU A 617 -14.194 -24.071 9.395 1.00 54.03 H new ATOM 0 HB3 GLU A 617 -12.529 -24.398 9.832 1.00 54.03 H new ATOM 0 HG2 GLU A 617 -12.016 -25.338 7.704 1.00 62.14 H new ATOM 0 HG3 GLU A 617 -13.700 -25.631 7.319 1.00 62.14 H new ATOM 1165 N VAL A 618 -12.744 -28.293 9.650 1.00 62.23 N ATOM 1166 CA VAL A 618 -11.673 -29.267 9.780 1.00 75.33 C ATOM 1167 C VAL A 618 -10.380 -28.676 9.215 1.00 73.13 C ATOM 1168 O VAL A 618 -10.342 -28.244 8.064 1.00 52.22 O ATOM 1169 CB VAL A 618 -12.076 -30.580 9.104 1.00 23.04 C ATOM 1170 CG1 VAL A 618 -10.854 -31.469 8.863 1.00 33.34 C ATOM 1171 CG2 VAL A 618 -13.137 -31.316 9.925 1.00 23.00 C ATOM 0 H VAL A 618 -13.596 -28.650 9.217 1.00 62.23 H new ATOM 0 HA VAL A 618 -11.492 -29.499 10.830 1.00 75.33 H new ATOM 0 HB VAL A 618 -12.511 -30.339 8.134 1.00 23.04 H new ATOM 0 HG11 VAL A 618 -11.167 -32.396 8.382 1.00 33.34 H new ATOM 0 HG12 VAL A 618 -10.146 -30.947 8.219 1.00 33.34 H new ATOM 0 HG13 VAL A 618 -10.377 -31.698 9.816 1.00 33.34 H new ATOM 0 HG21 VAL A 618 -13.406 -32.245 9.423 1.00 23.00 H new ATOM 0 HG22 VAL A 618 -12.740 -31.540 10.915 1.00 23.00 H new ATOM 0 HG23 VAL A 618 -14.022 -30.687 10.023 1.00 23.00 H new ATOM 1181 N TRP A 619 -9.353 -28.676 10.051 1.00 65.32 N ATOM 1182 CA TRP A 619 -8.061 -28.145 9.649 1.00 20.31 C ATOM 1183 C TRP A 619 -7.296 -29.257 8.929 1.00 23.40 C ATOM 1184 O TRP A 619 -6.613 -29.005 7.937 1.00 15.22 O ATOM 1185 CB TRP A 619 -7.303 -27.580 10.852 1.00 42.35 C ATOM 1186 CG TRP A 619 -7.894 -26.282 11.406 1.00 41.13 C ATOM 1187 CD1 TRP A 619 -8.683 -25.400 10.777 1.00 72.32 C ATOM 1188 CD2 TRP A 619 -7.710 -25.752 12.736 1.00 62.25 C ATOM 1189 NE1 TRP A 619 -9.020 -24.345 11.601 1.00 61.45 N ATOM 1190 CE2 TRP A 619 -8.409 -24.566 12.830 1.00 72.45 C ATOM 1191 CE3 TRP A 619 -6.977 -26.259 13.823 1.00 4.41 C ATOM 1192 CZ2 TRP A 619 -8.444 -23.787 13.992 1.00 33.11 C ATOM 1193 CZ3 TRP A 619 -7.022 -25.468 14.978 1.00 42.03 C ATOM 1194 CH2 TRP A 619 -7.721 -24.272 15.088 1.00 0.23 C ATOM 0 H TRP A 619 -9.389 -29.035 11.005 1.00 65.32 H new ATOM 0 HA TRP A 619 -8.185 -27.307 8.963 1.00 20.31 H new ATOM 0 HB2 TRP A 619 -7.290 -28.328 11.644 1.00 42.35 H new ATOM 0 HB3 TRP A 619 -6.267 -27.402 10.565 1.00 42.35 H new ATOM 0 HD1 TRP A 619 -9.014 -25.502 9.754 1.00 72.32 H new ATOM 0 HE1 TRP A 619 -9.609 -23.550 11.354 1.00 61.45 H new ATOM 0 HE3 TRP A 619 -6.423 -27.185 13.772 1.00 4.41 H new ATOM 0 HZ2 TRP A 619 -8.999 -22.862 14.040 1.00 33.11 H new ATOM 0 HZ3 TRP A 619 -6.475 -25.812 15.844 1.00 42.03 H new ATOM 0 HH2 TRP A 619 -7.706 -23.719 16.016 1.00 0.23 H new ATOM 1205 N GLY A 620 -7.435 -30.465 9.456 1.00 1.13 N ATOM 1206 CA GLY A 620 -6.765 -31.617 8.876 1.00 12.43 C ATOM 1207 C GLY A 620 -6.645 -32.751 9.895 1.00 24.54 C ATOM 1208 O GLY A 620 -7.617 -33.455 10.164 1.00 21.32 O ATOM 0 H GLY A 620 -8.002 -30.671 10.279 1.00 1.13 H new ATOM 0 HA2 GLY A 620 -7.319 -31.964 8.004 1.00 12.43 H new ATOM 0 HA3 GLY A 620 -5.773 -31.329 8.529 1.00 12.43 H new ATOM 1212 N LEU A 621 -5.443 -32.894 10.435 1.00 1.01 N ATOM 1213 CA LEU A 621 -5.183 -33.931 11.419 1.00 65.33 C ATOM 1214 C LEU A 621 -3.964 -33.539 12.257 1.00 14.22 C ATOM 1215 O LEU A 621 -3.113 -32.776 11.803 1.00 72.04 O ATOM 1216 CB LEU A 621 -5.046 -35.294 10.737 1.00 74.22 C ATOM 1217 CG LEU A 621 -3.636 -35.680 10.285 1.00 34.53 C ATOM 1218 CD1 LEU A 621 -3.046 -34.615 9.360 1.00 41.11 C ATOM 1219 CD2 LEU A 621 -2.733 -35.960 11.488 1.00 42.40 C ATOM 0 H LEU A 621 -4.639 -32.309 10.209 1.00 1.01 H new ATOM 0 HA LEU A 621 -6.025 -34.025 12.104 1.00 65.33 H new ATOM 0 HB2 LEU A 621 -5.408 -36.059 11.423 1.00 74.22 H new ATOM 0 HB3 LEU A 621 -5.702 -35.310 9.867 1.00 74.22 H new ATOM 0 HG LEU A 621 -3.702 -36.604 9.710 1.00 34.53 H new ATOM 0 HD11 LEU A 621 -2.044 -34.914 9.054 1.00 41.11 H new ATOM 0 HD12 LEU A 621 -3.678 -34.508 8.479 1.00 41.11 H new ATOM 0 HD13 LEU A 621 -2.995 -33.663 9.888 1.00 41.11 H new ATOM 0 HD21 LEU A 621 -1.737 -36.232 11.140 1.00 42.40 H new ATOM 0 HD22 LEU A 621 -2.669 -35.067 12.110 1.00 42.40 H new ATOM 0 HD23 LEU A 621 -3.150 -36.780 12.073 1.00 42.40 H new ATOM 1231 N GLN A 622 -3.920 -34.078 13.467 1.00 40.24 N ATOM 1232 CA GLN A 622 -2.820 -33.793 14.373 1.00 73.52 C ATOM 1233 C GLN A 622 -1.649 -34.739 14.099 1.00 43.42 C ATOM 1234 O GLN A 622 -1.843 -35.941 13.931 1.00 72.54 O ATOM 1235 CB GLN A 622 -3.273 -33.890 15.831 1.00 3.52 C ATOM 1236 CG GLN A 622 -2.543 -32.863 16.700 1.00 20.44 C ATOM 1237 CD GLN A 622 -2.388 -33.372 18.135 1.00 4.31 C ATOM 1238 OE1 GLN A 622 -1.323 -33.788 18.562 1.00 70.03 O ATOM 1239 NE2 GLN A 622 -3.506 -33.315 18.853 1.00 5.23 N ATOM 0 H GLN A 622 -4.628 -34.710 13.841 1.00 40.24 H new ATOM 0 HA GLN A 622 -2.485 -32.771 14.198 1.00 73.52 H new ATOM 0 HB2 GLN A 622 -4.349 -33.726 15.893 1.00 3.52 H new ATOM 0 HB3 GLN A 622 -3.081 -34.894 16.209 1.00 3.52 H new ATOM 0 HG2 GLN A 622 -1.561 -32.655 16.276 1.00 20.44 H new ATOM 0 HG3 GLN A 622 -3.096 -31.923 16.701 1.00 20.44 H new ATOM 0 HE21 GLN A 622 -4.364 -32.955 18.434 1.00 5.23 H new ATOM 0 HE22 GLN A 622 -3.506 -33.631 19.823 1.00 5.23 H new ATOM 1248 N MET A 623 -0.458 -34.159 14.062 1.00 11.34 N ATOM 1249 CA MET A 623 0.745 -34.934 13.812 1.00 72.32 C ATOM 1250 C MET A 623 1.683 -34.897 15.020 1.00 42.43 C ATOM 1251 O MET A 623 1.813 -33.865 15.677 1.00 23.33 O ATOM 1252 CB MET A 623 1.468 -34.373 12.586 1.00 71.33 C ATOM 1253 CG MET A 623 0.904 -34.971 11.295 1.00 31.52 C ATOM 1254 SD MET A 623 1.451 -36.661 11.116 1.00 51.05 S ATOM 1255 CE MET A 623 0.842 -37.011 9.475 1.00 70.15 C ATOM 0 H MET A 623 -0.301 -33.161 14.201 1.00 11.34 H new ATOM 0 HA MET A 623 0.456 -35.970 13.632 1.00 72.32 H new ATOM 0 HB2 MET A 623 1.365 -33.288 12.564 1.00 71.33 H new ATOM 0 HB3 MET A 623 2.534 -34.591 12.657 1.00 71.33 H new ATOM 0 HG2 MET A 623 -0.185 -34.932 11.312 1.00 31.52 H new ATOM 0 HG3 MET A 623 1.231 -34.382 10.438 1.00 31.52 H new ATOM 0 HE1 MET A 623 1.380 -37.864 9.062 1.00 70.15 H new ATOM 0 HE2 MET A 623 -0.222 -37.241 9.523 1.00 70.15 H new ATOM 0 HE3 MET A 623 0.996 -36.141 8.836 1.00 70.15 H new ATOM 1265 N ILE A 624 2.313 -36.034 15.275 1.00 0.11 N ATOM 1266 CA ILE A 624 3.236 -36.144 16.392 1.00 34.03 C ATOM 1267 C ILE A 624 4.650 -36.379 15.859 1.00 61.02 C ATOM 1268 O ILE A 624 4.833 -37.073 14.860 1.00 43.23 O ATOM 1269 CB ILE A 624 2.762 -37.218 17.374 1.00 3.21 C ATOM 1270 CG1 ILE A 624 1.317 -36.964 17.809 1.00 24.51 C ATOM 1271 CG2 ILE A 624 3.711 -37.324 18.570 1.00 52.40 C ATOM 1272 CD1 ILE A 624 0.330 -37.615 16.838 1.00 64.30 C ATOM 0 H ILE A 624 2.203 -36.887 14.727 1.00 0.11 H new ATOM 0 HA ILE A 624 3.260 -35.214 16.959 1.00 34.03 H new ATOM 0 HB ILE A 624 2.779 -38.180 16.863 1.00 3.21 H new ATOM 0 HG12 ILE A 624 1.160 -37.360 18.812 1.00 24.51 H new ATOM 0 HG13 ILE A 624 1.131 -35.891 17.857 1.00 24.51 H new ATOM 0 HG21 ILE A 624 3.352 -38.094 19.253 1.00 52.40 H new ATOM 0 HG22 ILE A 624 4.709 -37.586 18.220 1.00 52.40 H new ATOM 0 HG23 ILE A 624 3.749 -36.367 19.090 1.00 52.40 H new ATOM 0 HD11 ILE A 624 -0.690 -37.419 17.170 1.00 64.30 H new ATOM 0 HD12 ILE A 624 0.473 -37.199 15.841 1.00 64.30 H new ATOM 0 HD13 ILE A 624 0.503 -38.691 16.811 1.00 64.30 H new ATOM 1284 N TYR A 625 5.614 -35.788 16.549 1.00 42.43 N ATOM 1285 CA TYR A 625 7.007 -35.924 16.157 1.00 52.22 C ATOM 1286 C TYR A 625 7.932 -35.804 17.370 1.00 50.04 C ATOM 1287 O TYR A 625 8.112 -34.715 17.913 1.00 74.04 O ATOM 1288 CB TYR A 625 7.290 -34.766 15.198 1.00 42.12 C ATOM 1289 CG TYR A 625 8.777 -34.452 15.023 1.00 24.15 C ATOM 1290 CD1 TYR A 625 9.511 -35.105 14.054 1.00 25.11 C ATOM 1291 CD2 TYR A 625 9.385 -33.516 15.835 1.00 20.15 C ATOM 1292 CE1 TYR A 625 10.911 -34.810 13.890 1.00 42.21 C ATOM 1293 CE2 TYR A 625 10.785 -33.221 15.671 1.00 12.23 C ATOM 1294 CZ TYR A 625 11.479 -33.882 14.707 1.00 72.24 C ATOM 1295 OH TYR A 625 12.801 -33.603 14.552 1.00 72.34 O ATOM 0 H TYR A 625 5.458 -35.214 17.377 1.00 42.43 H new ATOM 0 HA TYR A 625 7.184 -36.898 15.700 1.00 52.22 H new ATOM 0 HB2 TYR A 625 6.862 -35.002 14.224 1.00 42.12 H new ATOM 0 HB3 TYR A 625 6.781 -33.874 15.562 1.00 42.12 H new ATOM 0 HD1 TYR A 625 9.035 -35.837 13.418 1.00 25.11 H new ATOM 0 HD2 TYR A 625 8.811 -33.005 16.593 1.00 20.15 H new ATOM 0 HE1 TYR A 625 11.497 -35.314 13.136 1.00 42.21 H new ATOM 0 HE2 TYR A 625 11.273 -32.491 16.300 1.00 12.23 H new ATOM 0 HH TYR A 625 13.070 -32.921 15.202 1.00 72.34 H new ATOM 1305 N LYS A 626 8.495 -36.939 17.759 1.00 53.52 N ATOM 1306 CA LYS A 626 9.397 -36.974 18.897 1.00 31.53 C ATOM 1307 C LYS A 626 8.599 -36.743 20.182 1.00 2.41 C ATOM 1308 O LYS A 626 9.167 -36.387 21.214 1.00 71.32 O ATOM 1309 CB LYS A 626 10.547 -35.985 18.701 1.00 64.24 C ATOM 1310 CG LYS A 626 11.804 -36.699 18.198 1.00 50.44 C ATOM 1311 CD LYS A 626 11.830 -36.751 16.669 1.00 74.52 C ATOM 1312 CE LYS A 626 11.029 -37.947 16.148 1.00 10.20 C ATOM 1313 NZ LYS A 626 10.505 -37.668 14.792 1.00 32.42 N ATOM 0 H LYS A 626 8.344 -37.840 17.306 1.00 53.52 H new ATOM 0 HA LYS A 626 9.863 -37.955 18.983 1.00 31.53 H new ATOM 0 HB2 LYS A 626 10.252 -35.215 17.988 1.00 64.24 H new ATOM 0 HB3 LYS A 626 10.763 -35.481 19.643 1.00 64.24 H new ATOM 0 HG2 LYS A 626 12.691 -36.182 18.563 1.00 50.44 H new ATOM 0 HG3 LYS A 626 11.837 -37.711 18.601 1.00 50.44 H new ATOM 0 HD2 LYS A 626 11.417 -35.827 16.263 1.00 74.52 H new ATOM 0 HD3 LYS A 626 12.861 -36.820 16.321 1.00 74.52 H new ATOM 0 HE2 LYS A 626 11.662 -38.834 16.124 1.00 10.20 H new ATOM 0 HE3 LYS A 626 10.203 -38.163 16.826 1.00 10.20 H new ATOM 0 HZ1 LYS A 626 9.621 -38.196 14.646 1.00 32.42 H new ATOM 0 HZ2 LYS A 626 10.320 -36.649 14.694 1.00 32.42 H new ATOM 0 HZ3 LYS A 626 11.205 -37.963 14.082 1.00 32.42 H new ATOM 1326 N SER A 627 7.295 -36.953 20.077 1.00 3.13 N ATOM 1327 CA SER A 627 6.414 -36.771 21.218 1.00 32.31 C ATOM 1328 C SER A 627 6.001 -35.302 21.332 1.00 62.32 C ATOM 1329 O SER A 627 5.940 -34.754 22.431 1.00 33.43 O ATOM 1330 CB SER A 627 7.085 -37.236 22.512 1.00 11.21 C ATOM 1331 OG SER A 627 7.798 -36.181 23.152 1.00 12.12 O ATOM 0 H SER A 627 6.827 -37.247 19.220 1.00 3.13 H new ATOM 0 HA SER A 627 5.524 -37.381 21.063 1.00 32.31 H new ATOM 0 HB2 SER A 627 6.329 -37.627 23.192 1.00 11.21 H new ATOM 0 HB3 SER A 627 7.770 -38.055 22.291 1.00 11.21 H new ATOM 0 HG SER A 627 8.674 -36.073 22.726 1.00 12.12 H new ATOM 1337 N VAL A 628 5.729 -34.706 20.180 1.00 22.41 N ATOM 1338 CA VAL A 628 5.324 -33.312 20.136 1.00 2.35 C ATOM 1339 C VAL A 628 4.009 -33.191 19.363 1.00 3.15 C ATOM 1340 O VAL A 628 3.963 -33.461 18.164 1.00 0.04 O ATOM 1341 CB VAL A 628 6.447 -32.459 19.543 1.00 43.12 C ATOM 1342 CG1 VAL A 628 5.956 -31.043 19.234 1.00 21.24 C ATOM 1343 CG2 VAL A 628 7.662 -32.428 20.473 1.00 51.35 C ATOM 0 H VAL A 628 5.781 -35.164 19.270 1.00 22.41 H new ATOM 0 HA VAL A 628 5.145 -32.935 21.143 1.00 2.35 H new ATOM 0 HB VAL A 628 6.756 -32.918 18.604 1.00 43.12 H new ATOM 0 HG11 VAL A 628 6.774 -30.458 18.814 1.00 21.24 H new ATOM 0 HG12 VAL A 628 5.137 -31.090 18.516 1.00 21.24 H new ATOM 0 HG13 VAL A 628 5.607 -30.571 20.152 1.00 21.24 H new ATOM 0 HG21 VAL A 628 8.446 -31.815 20.028 1.00 51.35 H new ATOM 0 HG22 VAL A 628 7.373 -32.005 21.435 1.00 51.35 H new ATOM 0 HG23 VAL A 628 8.034 -33.442 20.620 1.00 51.35 H new ATOM 1353 N LYS A 629 2.973 -32.785 20.082 1.00 52.32 N ATOM 1354 CA LYS A 629 1.661 -32.625 19.478 1.00 13.24 C ATOM 1355 C LYS A 629 1.664 -31.384 18.583 1.00 72.43 C ATOM 1356 O LYS A 629 1.541 -30.262 19.070 1.00 14.13 O ATOM 1357 CB LYS A 629 0.575 -32.603 20.556 1.00 54.32 C ATOM 1358 CG LYS A 629 0.610 -33.881 21.396 1.00 54.00 C ATOM 1359 CD LYS A 629 0.037 -35.066 20.615 1.00 4.05 C ATOM 1360 CE LYS A 629 -1.479 -35.160 20.796 1.00 20.51 C ATOM 1361 NZ LYS A 629 -1.808 -35.849 22.064 1.00 1.03 N ATOM 0 H LYS A 629 3.015 -32.562 21.076 1.00 52.32 H new ATOM 0 HA LYS A 629 1.428 -33.478 18.840 1.00 13.24 H new ATOM 0 HB2 LYS A 629 0.716 -31.736 21.201 1.00 54.32 H new ATOM 0 HB3 LYS A 629 -0.404 -32.497 20.089 1.00 54.32 H new ATOM 0 HG2 LYS A 629 1.636 -34.098 21.692 1.00 54.00 H new ATOM 0 HG3 LYS A 629 0.038 -33.734 22.312 1.00 54.00 H new ATOM 0 HD2 LYS A 629 0.274 -34.958 19.557 1.00 4.05 H new ATOM 0 HD3 LYS A 629 0.505 -35.990 20.954 1.00 4.05 H new ATOM 0 HE2 LYS A 629 -1.914 -34.161 20.795 1.00 20.51 H new ATOM 0 HE3 LYS A 629 -1.919 -35.700 19.957 1.00 20.51 H new ATOM 0 HZ1 LYS A 629 -2.841 -35.904 22.171 1.00 1.03 H new ATOM 0 HZ2 LYS A 629 -1.409 -36.809 22.051 1.00 1.03 H new ATOM 0 HZ3 LYS A 629 -1.405 -35.318 22.862 1.00 1.03 H new ATOM 1374 N LEU A 630 1.806 -31.629 17.288 1.00 11.23 N ATOM 1375 CA LEU A 630 1.827 -30.546 16.320 1.00 14.40 C ATOM 1376 C LEU A 630 0.641 -30.698 15.365 1.00 13.24 C ATOM 1377 O LEU A 630 0.599 -31.632 14.566 1.00 15.31 O ATOM 1378 CB LEU A 630 3.182 -30.485 15.612 1.00 31.34 C ATOM 1379 CG LEU A 630 4.411 -30.428 16.522 1.00 42.05 C ATOM 1380 CD1 LEU A 630 5.698 -30.348 15.699 1.00 64.55 C ATOM 1381 CD2 LEU A 630 4.299 -29.277 17.523 1.00 2.21 C ATOM 0 H LEU A 630 1.908 -32.561 16.887 1.00 11.23 H new ATOM 0 HA LEU A 630 1.712 -29.585 16.822 1.00 14.40 H new ATOM 0 HB2 LEU A 630 3.272 -31.359 14.967 1.00 31.34 H new ATOM 0 HB3 LEU A 630 3.193 -29.608 14.965 1.00 31.34 H new ATOM 0 HG LEU A 630 4.453 -31.352 17.098 1.00 42.05 H new ATOM 0 HD11 LEU A 630 6.557 -30.309 16.369 1.00 64.55 H new ATOM 0 HD12 LEU A 630 5.777 -31.228 15.060 1.00 64.55 H new ATOM 0 HD13 LEU A 630 5.679 -29.451 15.080 1.00 64.55 H new ATOM 0 HD21 LEU A 630 5.185 -29.259 18.157 1.00 2.21 H new ATOM 0 HD22 LEU A 630 4.219 -28.333 16.984 1.00 2.21 H new ATOM 0 HD23 LEU A 630 3.413 -29.418 18.142 1.00 2.21 H new ATOM 1393 N PRO A 631 -0.319 -29.741 15.483 1.00 24.15 N ATOM 1394 CA PRO A 631 -1.502 -29.760 14.641 1.00 51.13 C ATOM 1395 C PRO A 631 -1.170 -29.301 13.219 1.00 14.13 C ATOM 1396 O PRO A 631 -0.489 -28.294 13.031 1.00 33.03 O ATOM 1397 CB PRO A 631 -2.498 -28.851 15.341 1.00 14.42 C ATOM 1398 CG PRO A 631 -1.682 -27.995 16.296 1.00 41.42 C ATOM 1399 CD PRO A 631 -0.302 -28.620 16.419 1.00 72.30 C ATOM 0 HA PRO A 631 -1.915 -30.761 14.518 1.00 51.13 H new ATOM 0 HB2 PRO A 631 -3.034 -28.231 14.622 1.00 14.42 H new ATOM 0 HB3 PRO A 631 -3.246 -29.433 15.880 1.00 14.42 H new ATOM 0 HG2 PRO A 631 -1.607 -26.973 15.923 1.00 41.42 H new ATOM 0 HG3 PRO A 631 -2.166 -27.944 17.271 1.00 41.42 H new ATOM 0 HD2 PRO A 631 0.481 -27.905 16.166 1.00 72.30 H new ATOM 0 HD3 PRO A 631 -0.109 -28.957 17.437 1.00 72.30 H new ATOM 1407 N VAL A 632 -1.667 -30.061 12.255 1.00 34.50 N ATOM 1408 CA VAL A 632 -1.433 -29.745 10.856 1.00 25.44 C ATOM 1409 C VAL A 632 -2.685 -29.092 10.269 1.00 43.55 C ATOM 1410 O VAL A 632 -3.668 -29.772 9.981 1.00 31.22 O ATOM 1411 CB VAL A 632 -1.005 -31.005 10.100 1.00 5.30 C ATOM 1412 CG1 VAL A 632 -0.622 -30.673 8.656 1.00 25.43 C ATOM 1413 CG2 VAL A 632 0.142 -31.715 10.822 1.00 10.04 C ATOM 0 H VAL A 632 -2.231 -30.896 12.415 1.00 34.50 H new ATOM 0 HA VAL A 632 -0.617 -29.029 10.757 1.00 25.44 H new ATOM 0 HB VAL A 632 -1.856 -31.686 10.074 1.00 5.30 H new ATOM 0 HG11 VAL A 632 -0.322 -31.585 8.140 1.00 25.43 H new ATOM 0 HG12 VAL A 632 -1.478 -30.232 8.145 1.00 25.43 H new ATOM 0 HG13 VAL A 632 0.207 -29.965 8.653 1.00 25.43 H new ATOM 0 HG21 VAL A 632 0.427 -32.607 10.264 1.00 10.04 H new ATOM 0 HG22 VAL A 632 0.998 -31.044 10.894 1.00 10.04 H new ATOM 0 HG23 VAL A 632 -0.180 -32.001 11.823 1.00 10.04 H new ATOM 1423 N LEU A 633 -2.608 -27.779 10.107 1.00 5.21 N ATOM 1424 CA LEU A 633 -3.722 -27.025 9.559 1.00 74.43 C ATOM 1425 C LEU A 633 -3.387 -26.594 8.130 1.00 70.14 C ATOM 1426 O LEU A 633 -2.255 -26.759 7.677 1.00 73.20 O ATOM 1427 CB LEU A 633 -4.089 -25.862 10.482 1.00 2.13 C ATOM 1428 CG LEU A 633 -3.825 -26.080 11.973 1.00 23.44 C ATOM 1429 CD1 LEU A 633 -4.040 -27.545 12.359 1.00 23.05 C ATOM 1430 CD2 LEU A 633 -2.430 -25.584 12.362 1.00 75.03 C ATOM 0 H LEU A 633 -1.790 -27.218 10.346 1.00 5.21 H new ATOM 0 HA LEU A 633 -4.613 -27.650 9.503 1.00 74.43 H new ATOM 0 HB2 LEU A 633 -3.535 -24.980 10.160 1.00 2.13 H new ATOM 0 HB3 LEU A 633 -5.148 -25.639 10.350 1.00 2.13 H new ATOM 0 HG LEU A 633 -4.546 -25.488 12.537 1.00 23.44 H new ATOM 0 HD11 LEU A 633 -3.846 -27.673 13.424 1.00 23.05 H new ATOM 0 HD12 LEU A 633 -5.069 -27.832 12.141 1.00 23.05 H new ATOM 0 HD13 LEU A 633 -3.359 -28.176 11.788 1.00 23.05 H new ATOM 0 HD21 LEU A 633 -2.268 -25.751 13.427 1.00 75.03 H new ATOM 0 HD22 LEU A 633 -1.678 -26.129 11.791 1.00 75.03 H new ATOM 0 HD23 LEU A 633 -2.349 -24.519 12.145 1.00 75.03 H new ATOM 1442 N LYS A 634 -4.392 -26.050 7.459 1.00 45.23 N ATOM 1443 CA LYS A 634 -4.217 -25.593 6.090 1.00 34.52 C ATOM 1444 C LYS A 634 -3.964 -24.085 6.089 1.00 44.34 C ATOM 1445 O LYS A 634 -3.819 -23.475 7.147 1.00 42.10 O ATOM 1446 CB LYS A 634 -5.408 -26.018 5.228 1.00 12.33 C ATOM 1447 CG LYS A 634 -6.041 -27.304 5.763 1.00 72.12 C ATOM 1448 CD LYS A 634 -7.204 -27.753 4.875 1.00 2.01 C ATOM 1449 CE LYS A 634 -8.398 -26.806 5.015 1.00 24.40 C ATOM 1450 NZ LYS A 634 -9.053 -26.989 6.329 1.00 22.35 N ATOM 0 H LYS A 634 -5.330 -25.915 7.837 1.00 45.23 H new ATOM 0 HA LYS A 634 -3.343 -26.063 5.640 1.00 34.52 H new ATOM 0 HB2 LYS A 634 -6.152 -25.222 5.212 1.00 12.33 H new ATOM 0 HB3 LYS A 634 -5.081 -26.170 4.199 1.00 12.33 H new ATOM 0 HG2 LYS A 634 -5.289 -28.092 5.810 1.00 72.12 H new ATOM 0 HG3 LYS A 634 -6.397 -27.143 6.781 1.00 72.12 H new ATOM 0 HD2 LYS A 634 -6.881 -27.785 3.835 1.00 2.01 H new ATOM 0 HD3 LYS A 634 -7.504 -28.765 5.147 1.00 2.01 H new ATOM 0 HE2 LYS A 634 -8.065 -25.774 4.909 1.00 24.40 H new ATOM 0 HE3 LYS A 634 -9.115 -26.994 4.215 1.00 24.40 H new ATOM 0 HZ1 LYS A 634 -9.900 -26.388 6.381 1.00 22.35 H new ATOM 0 HZ2 LYS A 634 -9.327 -27.986 6.444 1.00 22.35 H new ATOM 0 HZ3 LYS A 634 -8.392 -26.722 7.086 1.00 22.35 H new ATOM 1463 N VAL A 635 -3.917 -23.526 4.888 1.00 15.12 N ATOM 1464 CA VAL A 635 -3.684 -22.100 4.735 1.00 63.01 C ATOM 1465 C VAL A 635 -4.990 -21.414 4.329 1.00 22.20 C ATOM 1466 O VAL A 635 -5.105 -20.192 4.411 1.00 61.34 O ATOM 1467 CB VAL A 635 -2.548 -21.860 3.738 1.00 23.13 C ATOM 1468 CG1 VAL A 635 -3.021 -22.090 2.302 1.00 51.13 C ATOM 1469 CG2 VAL A 635 -1.960 -20.457 3.904 1.00 21.44 C ATOM 0 H VAL A 635 -4.036 -24.035 4.012 1.00 15.12 H new ATOM 0 HA VAL A 635 -3.367 -21.661 5.681 1.00 63.01 H new ATOM 0 HB VAL A 635 -1.759 -22.581 3.950 1.00 23.13 H new ATOM 0 HG11 VAL A 635 -2.194 -21.913 1.614 1.00 51.13 H new ATOM 0 HG12 VAL A 635 -3.369 -23.117 2.194 1.00 51.13 H new ATOM 0 HG13 VAL A 635 -3.837 -21.404 2.073 1.00 51.13 H new ATOM 0 HG21 VAL A 635 -1.155 -20.312 3.184 1.00 21.44 H new ATOM 0 HG22 VAL A 635 -2.738 -19.714 3.732 1.00 21.44 H new ATOM 0 HG23 VAL A 635 -1.567 -20.344 4.915 1.00 21.44 H new ATOM 1479 N ARG A 636 -5.941 -22.231 3.900 1.00 12.45 N ATOM 1480 CA ARG A 636 -7.235 -21.718 3.482 1.00 43.13 C ATOM 1481 C ARG A 636 -8.206 -21.700 4.663 1.00 14.14 C ATOM 1482 O ARG A 636 -9.186 -20.956 4.655 1.00 72.33 O ATOM 1483 CB ARG A 636 -7.827 -22.569 2.357 1.00 64.24 C ATOM 1484 CG ARG A 636 -7.680 -24.061 2.663 1.00 62.13 C ATOM 1485 CD ARG A 636 -6.521 -24.672 1.872 1.00 52.24 C ATOM 1486 NE ARG A 636 -6.971 -25.026 0.507 1.00 33.10 N ATOM 1487 CZ ARG A 636 -6.344 -25.918 -0.289 1.00 52.11 C ATOM 1488 NH1 ARG A 636 -5.233 -26.554 0.138 1.00 63.45 N ATOM 1489 NH2 ARG A 636 -6.834 -26.158 -1.491 1.00 61.02 N ATOM 0 H ARG A 636 -5.841 -23.244 3.833 1.00 12.45 H new ATOM 0 HA ARG A 636 -7.086 -20.703 3.115 1.00 43.13 H new ATOM 0 HB2 ARG A 636 -8.881 -22.323 2.226 1.00 64.24 H new ATOM 0 HB3 ARG A 636 -7.326 -22.336 1.417 1.00 64.24 H new ATOM 0 HG2 ARG A 636 -7.510 -24.202 3.730 1.00 62.13 H new ATOM 0 HG3 ARG A 636 -8.607 -24.579 2.416 1.00 62.13 H new ATOM 0 HD2 ARG A 636 -5.693 -23.965 1.819 1.00 52.24 H new ATOM 0 HD3 ARG A 636 -6.149 -25.560 2.383 1.00 52.24 H new ATOM 0 HE ARG A 636 -7.807 -24.567 0.145 1.00 33.10 H new ATOM 0 HH11 ARG A 636 -4.861 -26.362 1.068 1.00 63.45 H new ATOM 0 HH12 ARG A 636 -4.765 -27.227 -0.469 1.00 63.45 H new ATOM 0 HH21 ARG A 636 -7.674 -25.672 -1.806 1.00 61.02 H new ATOM 0 HH22 ARG A 636 -6.373 -26.829 -2.105 1.00 61.02 H new ATOM 1502 N SER A 637 -7.901 -22.527 5.652 1.00 31.31 N ATOM 1503 CA SER A 637 -8.735 -22.616 6.839 1.00 52.34 C ATOM 1504 C SER A 637 -8.263 -21.606 7.887 1.00 60.03 C ATOM 1505 O SER A 637 -8.970 -21.336 8.857 1.00 65.42 O ATOM 1506 CB SER A 637 -8.718 -24.031 7.420 1.00 53.05 C ATOM 1507 OG SER A 637 -9.970 -24.385 8.001 1.00 55.53 O ATOM 0 H SER A 637 -7.087 -23.142 5.656 1.00 31.31 H new ATOM 0 HA SER A 637 -9.761 -22.382 6.554 1.00 52.34 H new ATOM 0 HB2 SER A 637 -8.469 -24.743 6.633 1.00 53.05 H new ATOM 0 HB3 SER A 637 -7.935 -24.104 8.175 1.00 53.05 H new ATOM 0 HG SER A 637 -10.296 -23.643 8.552 1.00 55.53 H new ATOM 1513 N MET A 638 -7.071 -21.075 7.656 1.00 72.33 N ATOM 1514 CA MET A 638 -6.496 -20.101 8.568 1.00 72.32 C ATOM 1515 C MET A 638 -6.501 -18.702 7.950 1.00 43.34 C ATOM 1516 O MET A 638 -6.360 -18.555 6.736 1.00 14.45 O ATOM 1517 CB MET A 638 -5.060 -20.505 8.907 1.00 20.10 C ATOM 1518 CG MET A 638 -5.032 -21.807 9.710 1.00 63.31 C ATOM 1519 SD MET A 638 -5.596 -21.509 11.377 1.00 70.12 S ATOM 1520 CE MET A 638 -7.146 -22.394 11.342 1.00 10.32 C ATOM 0 H MET A 638 -6.488 -21.301 6.850 1.00 72.33 H new ATOM 0 HA MET A 638 -7.100 -20.079 9.475 1.00 72.32 H new ATOM 0 HB2 MET A 638 -4.486 -20.628 7.988 1.00 20.10 H new ATOM 0 HB3 MET A 638 -4.580 -19.711 9.479 1.00 20.10 H new ATOM 0 HG2 MET A 638 -5.666 -22.553 9.231 1.00 63.31 H new ATOM 0 HG3 MET A 638 -4.020 -22.212 9.727 1.00 63.31 H new ATOM 0 HE1 MET A 638 -7.788 -22.035 12.146 1.00 10.32 H new ATOM 0 HE2 MET A 638 -7.638 -22.229 10.383 1.00 10.32 H new ATOM 0 HE3 MET A 638 -6.960 -23.460 11.475 1.00 10.32 H new ATOM 1530 N LEU A 639 -6.663 -17.709 8.812 1.00 33.10 N ATOM 1531 CA LEU A 639 -6.688 -16.326 8.366 1.00 60.51 C ATOM 1532 C LEU A 639 -5.451 -15.601 8.899 1.00 11.14 C ATOM 1533 O LEU A 639 -5.042 -15.820 10.038 1.00 2.25 O ATOM 1534 CB LEU A 639 -8.008 -15.661 8.758 1.00 55.52 C ATOM 1535 CG LEU A 639 -8.327 -14.338 8.057 1.00 62.33 C ATOM 1536 CD1 LEU A 639 -8.059 -14.436 6.554 1.00 73.44 C ATOM 1537 CD2 LEU A 639 -9.759 -13.890 8.356 1.00 43.11 C ATOM 0 H LEU A 639 -6.778 -17.835 9.818 1.00 33.10 H new ATOM 0 HA LEU A 639 -6.643 -16.275 7.278 1.00 60.51 H new ATOM 0 HB2 LEU A 639 -8.819 -16.361 8.556 1.00 55.52 H new ATOM 0 HB3 LEU A 639 -7.998 -15.486 9.834 1.00 55.52 H new ATOM 0 HG LEU A 639 -7.661 -13.572 8.454 1.00 62.33 H new ATOM 0 HD11 LEU A 639 -8.294 -13.483 6.080 1.00 73.44 H new ATOM 0 HD12 LEU A 639 -7.009 -14.676 6.387 1.00 73.44 H new ATOM 0 HD13 LEU A 639 -8.683 -15.219 6.123 1.00 73.44 H new ATOM 0 HD21 LEU A 639 -9.959 -12.948 7.846 1.00 43.11 H new ATOM 0 HD22 LEU A 639 -10.458 -14.649 8.005 1.00 43.11 H new ATOM 0 HD23 LEU A 639 -9.881 -13.754 9.431 1.00 43.11 H new ATOM 1549 N LEU A 640 -4.891 -14.752 8.051 1.00 45.13 N ATOM 1550 CA LEU A 640 -3.709 -13.993 8.423 1.00 44.35 C ATOM 1551 C LEU A 640 -4.092 -12.525 8.620 1.00 11.24 C ATOM 1552 O LEU A 640 -4.092 -11.746 7.668 1.00 13.24 O ATOM 1553 CB LEU A 640 -2.592 -14.204 7.398 1.00 0.02 C ATOM 1554 CG LEU A 640 -2.109 -15.645 7.220 1.00 53.14 C ATOM 1555 CD1 LEU A 640 -2.301 -16.451 8.506 1.00 53.32 C ATOM 1556 CD2 LEU A 640 -2.792 -16.307 6.021 1.00 22.11 C ATOM 0 H LEU A 640 -5.234 -14.573 7.107 1.00 45.13 H new ATOM 0 HA LEU A 640 -3.311 -14.350 9.373 1.00 44.35 H new ATOM 0 HB2 LEU A 640 -2.938 -13.836 6.432 1.00 0.02 H new ATOM 0 HB3 LEU A 640 -1.740 -13.589 7.687 1.00 0.02 H new ATOM 0 HG LEU A 640 -1.039 -15.624 7.011 1.00 53.14 H new ATOM 0 HD11 LEU A 640 -1.950 -17.471 8.352 1.00 53.32 H new ATOM 0 HD12 LEU A 640 -1.732 -15.989 9.313 1.00 53.32 H new ATOM 0 HD13 LEU A 640 -3.358 -16.467 8.771 1.00 53.32 H new ATOM 0 HD21 LEU A 640 -2.431 -17.330 5.916 1.00 22.11 H new ATOM 0 HD22 LEU A 640 -3.871 -16.316 6.176 1.00 22.11 H new ATOM 0 HD23 LEU A 640 -2.561 -15.746 5.115 1.00 22.11 H new ATOM 1568 N GLU A 641 -4.409 -12.192 9.863 1.00 55.42 N ATOM 1569 CA GLU A 641 -4.794 -10.831 10.198 1.00 51.03 C ATOM 1570 C GLU A 641 -3.569 -9.915 10.185 1.00 2.24 C ATOM 1571 O GLU A 641 -2.643 -10.100 10.974 1.00 61.03 O ATOM 1572 CB GLU A 641 -5.504 -10.779 11.552 1.00 23.41 C ATOM 1573 CG GLU A 641 -7.001 -10.520 11.377 1.00 74.20 C ATOM 1574 CD GLU A 641 -7.697 -10.388 12.733 1.00 12.02 C ATOM 1575 OE1 GLU A 641 -8.928 -10.252 12.788 1.00 55.44 O ATOM 1576 OE2 GLU A 641 -6.912 -10.432 13.756 1.00 63.24 O ATOM 0 H GLU A 641 -4.407 -12.841 10.650 1.00 55.42 H new ATOM 0 HA GLU A 641 -5.496 -10.477 9.444 1.00 51.03 H new ATOM 0 HB2 GLU A 641 -5.354 -11.720 12.082 1.00 23.41 H new ATOM 0 HB3 GLU A 641 -5.065 -9.993 12.167 1.00 23.41 H new ATOM 0 HG2 GLU A 641 -7.151 -9.609 10.797 1.00 74.20 H new ATOM 0 HG3 GLU A 641 -7.451 -11.336 10.811 1.00 74.20 H new ATOM 1584 N THR A 642 -3.603 -8.946 9.282 1.00 21.02 N ATOM 1585 CA THR A 642 -2.507 -8.001 9.157 1.00 3.40 C ATOM 1586 C THR A 642 -3.034 -6.565 9.194 1.00 2.23 C ATOM 1587 O THR A 642 -4.215 -6.327 8.947 1.00 0.32 O ATOM 1588 CB THR A 642 -1.740 -8.333 7.876 1.00 64.13 C ATOM 1589 OG1 THR A 642 -2.224 -7.388 6.926 1.00 40.22 O ATOM 1590 CG2 THR A 642 -2.139 -9.689 7.289 1.00 1.32 C ATOM 0 H THR A 642 -4.373 -8.795 8.630 1.00 21.02 H new ATOM 0 HA THR A 642 -1.817 -8.083 9.997 1.00 3.40 H new ATOM 0 HB THR A 642 -0.670 -8.328 8.083 1.00 64.13 H new ATOM 0 HG1 THR A 642 -2.992 -7.767 6.450 1.00 40.22 H new ATOM 0 HG21 THR A 642 -1.565 -9.876 6.381 1.00 1.32 H new ATOM 0 HG22 THR A 642 -1.934 -10.475 8.016 1.00 1.32 H new ATOM 0 HG23 THR A 642 -3.203 -9.684 7.051 1.00 1.32 H new ATOM 1598 N PRO A 643 -2.108 -5.621 9.514 1.00 53.14 N ATOM 1599 CA PRO A 643 -2.468 -4.215 9.586 1.00 4.15 C ATOM 1600 C PRO A 643 -2.642 -3.620 8.188 1.00 72.34 C ATOM 1601 O PRO A 643 -2.904 -2.427 8.045 1.00 74.13 O ATOM 1602 CB PRO A 643 -1.343 -3.562 10.373 1.00 11.25 C ATOM 1603 CG PRO A 643 -0.173 -4.531 10.311 1.00 14.52 C ATOM 1604 CD PRO A 643 -0.700 -5.866 9.812 1.00 34.15 C ATOM 0 HA PRO A 643 -3.428 -4.051 10.076 1.00 4.15 H new ATOM 0 HB2 PRO A 643 -1.074 -2.597 9.943 1.00 11.25 H new ATOM 0 HB3 PRO A 643 -1.644 -3.378 11.404 1.00 11.25 H new ATOM 0 HG2 PRO A 643 0.601 -4.153 9.644 1.00 14.52 H new ATOM 0 HG3 PRO A 643 0.282 -4.644 11.295 1.00 14.52 H new ATOM 0 HD2 PRO A 643 -0.160 -6.199 8.926 1.00 34.15 H new ATOM 0 HD3 PRO A 643 -0.585 -6.644 10.566 1.00 34.15 H new ATOM 1612 N GLN A 644 -2.490 -4.480 7.191 1.00 42.21 N ATOM 1613 CA GLN A 644 -2.628 -4.055 5.808 1.00 5.53 C ATOM 1614 C GLN A 644 -3.855 -4.709 5.171 1.00 21.32 C ATOM 1615 O GLN A 644 -4.214 -4.392 4.039 1.00 54.04 O ATOM 1616 CB GLN A 644 -1.361 -4.369 5.009 1.00 34.21 C ATOM 1617 CG GLN A 644 -0.123 -4.332 5.907 1.00 41.33 C ATOM 1618 CD GLN A 644 1.151 -4.157 5.077 1.00 74.32 C ATOM 1619 OE1 GLN A 644 1.685 -3.070 4.934 1.00 40.15 O ATOM 1620 NE2 GLN A 644 1.605 -5.286 4.540 1.00 23.01 N ATOM 0 H GLN A 644 -2.273 -5.469 7.314 1.00 42.21 H new ATOM 0 HA GLN A 644 -2.769 -2.974 5.793 1.00 5.53 H new ATOM 0 HB2 GLN A 644 -1.452 -5.353 4.549 1.00 34.21 H new ATOM 0 HB3 GLN A 644 -1.249 -3.648 4.200 1.00 34.21 H new ATOM 0 HG2 GLN A 644 -0.212 -3.513 6.621 1.00 41.33 H new ATOM 0 HG3 GLN A 644 -0.061 -5.254 6.485 1.00 41.33 H new ATOM 0 HE21 GLN A 644 1.109 -6.163 4.700 1.00 23.01 H new ATOM 0 HE22 GLN A 644 2.450 -5.275 3.968 1.00 23.01 H new ATOM 1629 N GLY A 645 -4.464 -5.611 5.927 1.00 70.11 N ATOM 1630 CA GLY A 645 -5.643 -6.313 5.450 1.00 35.33 C ATOM 1631 C GLY A 645 -5.470 -7.828 5.581 1.00 51.11 C ATOM 1632 O GLY A 645 -4.366 -8.346 5.420 1.00 72.12 O ATOM 0 H GLY A 645 -4.163 -5.872 6.866 1.00 70.11 H new ATOM 0 HA2 GLY A 645 -6.516 -5.993 6.018 1.00 35.33 H new ATOM 0 HA3 GLY A 645 -5.828 -6.053 4.408 1.00 35.33 H new ATOM 1636 N ARG A 646 -6.577 -8.495 5.872 1.00 71.24 N ATOM 1637 CA ARG A 646 -6.561 -9.940 6.026 1.00 55.13 C ATOM 1638 C ARG A 646 -6.172 -10.610 4.707 1.00 63.23 C ATOM 1639 O ARG A 646 -6.393 -10.052 3.633 1.00 2.33 O ATOM 1640 CB ARG A 646 -7.930 -10.461 6.470 1.00 65.31 C ATOM 1641 CG ARG A 646 -8.069 -10.406 7.993 1.00 55.45 C ATOM 1642 CD ARG A 646 -9.511 -10.685 8.421 1.00 33.42 C ATOM 1643 NE ARG A 646 -10.354 -9.495 8.171 1.00 50.15 N ATOM 1644 CZ ARG A 646 -11.698 -9.531 8.051 1.00 13.32 C ATOM 1645 NH1 ARG A 646 -12.365 -10.700 8.159 1.00 1.30 N ATOM 1646 NH2 ARG A 646 -12.351 -8.405 7.827 1.00 31.45 N ATOM 0 H ARG A 646 -7.491 -8.062 6.005 1.00 71.24 H new ATOM 0 HA ARG A 646 -5.825 -10.184 6.792 1.00 55.13 H new ATOM 0 HB2 ARG A 646 -8.717 -9.866 6.007 1.00 65.31 H new ATOM 0 HB3 ARG A 646 -8.062 -11.487 6.126 1.00 65.31 H new ATOM 0 HG2 ARG A 646 -7.402 -11.137 8.449 1.00 55.45 H new ATOM 0 HG3 ARG A 646 -7.762 -9.425 8.355 1.00 55.45 H new ATOM 0 HD2 ARG A 646 -9.903 -11.540 7.871 1.00 33.42 H new ATOM 0 HD3 ARG A 646 -9.541 -10.946 9.479 1.00 33.42 H new ATOM 0 HE ARG A 646 -9.890 -8.591 8.084 1.00 50.15 H new ATOM 0 HH11 ARG A 646 -11.853 -11.565 8.333 1.00 1.30 H new ATOM 0 HH12 ARG A 646 -13.381 -10.718 8.067 1.00 1.30 H new ATOM 0 HH21 ARG A 646 -11.840 -7.526 7.747 1.00 31.45 H new ATOM 0 HH22 ARG A 646 -13.367 -8.414 7.734 1.00 31.45 H new ATOM 1659 N ILE A 647 -5.598 -11.798 4.830 1.00 32.23 N ATOM 1660 CA ILE A 647 -5.176 -12.550 3.661 1.00 24.52 C ATOM 1661 C ILE A 647 -5.532 -14.026 3.853 1.00 15.10 C ATOM 1662 O ILE A 647 -5.321 -14.585 4.928 1.00 13.53 O ATOM 1663 CB ILE A 647 -3.692 -12.309 3.376 1.00 0.31 C ATOM 1664 CG1 ILE A 647 -3.443 -10.858 2.957 1.00 75.42 C ATOM 1665 CG2 ILE A 647 -3.164 -13.303 2.340 1.00 25.45 C ATOM 1666 CD1 ILE A 647 -2.064 -10.383 3.418 1.00 14.23 C ATOM 0 H ILE A 647 -5.415 -12.258 5.722 1.00 32.23 H new ATOM 0 HA ILE A 647 -5.708 -12.205 2.774 1.00 24.52 H new ATOM 0 HB ILE A 647 -3.135 -12.479 4.298 1.00 0.31 H new ATOM 0 HG12 ILE A 647 -3.518 -10.771 1.873 1.00 75.42 H new ATOM 0 HG13 ILE A 647 -4.214 -10.215 3.383 1.00 75.42 H new ATOM 0 HG21 ILE A 647 -2.107 -13.110 2.156 1.00 25.45 H new ATOM 0 HG22 ILE A 647 -3.287 -14.319 2.715 1.00 25.45 H new ATOM 0 HG23 ILE A 647 -3.721 -13.190 1.410 1.00 25.45 H new ATOM 0 HD11 ILE A 647 -1.913 -9.349 3.107 1.00 14.23 H new ATOM 0 HD12 ILE A 647 -2.001 -10.449 4.504 1.00 14.23 H new ATOM 0 HD13 ILE A 647 -1.294 -11.012 2.971 1.00 14.23 H new ATOM 1678 N GLN A 648 -6.067 -14.615 2.794 1.00 54.14 N ATOM 1679 CA GLN A 648 -6.456 -16.015 2.832 1.00 44.41 C ATOM 1680 C GLN A 648 -5.947 -16.741 1.585 1.00 4.13 C ATOM 1681 O GLN A 648 -6.448 -16.518 0.484 1.00 32.25 O ATOM 1682 CB GLN A 648 -7.972 -16.159 2.970 1.00 75.23 C ATOM 1683 CG GLN A 648 -8.346 -17.547 3.494 1.00 25.32 C ATOM 1684 CD GLN A 648 -8.337 -18.580 2.366 1.00 72.43 C ATOM 1685 OE1 GLN A 648 -7.303 -18.943 1.829 1.00 53.02 O ATOM 1686 NE2 GLN A 648 -9.544 -19.033 2.037 1.00 10.52 N ATOM 0 H GLN A 648 -6.240 -14.148 1.904 1.00 54.14 H new ATOM 0 HA GLN A 648 -6.000 -16.475 3.708 1.00 44.41 H new ATOM 0 HB2 GLN A 648 -8.353 -15.396 3.648 1.00 75.23 H new ATOM 0 HB3 GLN A 648 -8.446 -15.992 2.003 1.00 75.23 H new ATOM 0 HG2 GLN A 648 -7.644 -17.847 4.272 1.00 25.32 H new ATOM 0 HG3 GLN A 648 -9.334 -17.512 3.952 1.00 25.32 H new ATOM 0 HE21 GLN A 648 -10.369 -18.687 2.527 1.00 10.52 H new ATOM 0 HE22 GLN A 648 -9.644 -19.726 1.295 1.00 10.52 H new ATOM 1695 N ALA A 649 -4.957 -17.595 1.800 1.00 44.12 N ATOM 1696 CA ALA A 649 -4.374 -18.355 0.707 1.00 31.32 C ATOM 1697 C ALA A 649 -4.804 -19.819 0.824 1.00 23.04 C ATOM 1698 O ALA A 649 -5.291 -20.245 1.871 1.00 44.14 O ATOM 1699 CB ALA A 649 -2.853 -18.191 0.724 1.00 11.25 C ATOM 0 H ALA A 649 -4.544 -17.777 2.715 1.00 44.12 H new ATOM 0 HA ALA A 649 -4.731 -17.982 -0.253 1.00 31.32 H new ATOM 0 HB1 ALA A 649 -2.416 -18.761 -0.096 1.00 11.25 H new ATOM 0 HB2 ALA A 649 -2.599 -17.137 0.609 1.00 11.25 H new ATOM 0 HB3 ALA A 649 -2.458 -18.558 1.672 1.00 11.25 H new ATOM 1705 N LYS A 650 -4.608 -20.549 -0.264 1.00 2.12 N ATOM 1706 CA LYS A 650 -4.969 -21.956 -0.296 1.00 62.02 C ATOM 1707 C LYS A 650 -3.696 -22.804 -0.315 1.00 63.42 C ATOM 1708 O LYS A 650 -3.763 -24.032 -0.285 1.00 72.31 O ATOM 1709 CB LYS A 650 -5.914 -22.240 -1.465 1.00 54.21 C ATOM 1710 CG LYS A 650 -7.132 -21.315 -1.422 1.00 53.40 C ATOM 1711 CD LYS A 650 -8.309 -21.922 -2.188 1.00 53.33 C ATOM 1712 CE LYS A 650 -9.488 -20.948 -2.244 1.00 42.44 C ATOM 1713 NZ LYS A 650 -10.441 -21.347 -3.304 1.00 64.41 N ATOM 0 H LYS A 650 -4.204 -20.193 -1.130 1.00 2.12 H new ATOM 0 HA LYS A 650 -5.521 -22.228 0.604 1.00 62.02 H new ATOM 0 HB2 LYS A 650 -5.383 -22.105 -2.407 1.00 54.21 H new ATOM 0 HB3 LYS A 650 -6.241 -23.279 -1.429 1.00 54.21 H new ATOM 0 HG2 LYS A 650 -7.421 -21.136 -0.386 1.00 53.40 H new ATOM 0 HG3 LYS A 650 -6.874 -20.347 -1.852 1.00 53.40 H new ATOM 0 HD2 LYS A 650 -7.996 -22.178 -3.200 1.00 53.33 H new ATOM 0 HD3 LYS A 650 -8.621 -22.849 -1.707 1.00 53.33 H new ATOM 0 HE2 LYS A 650 -9.996 -20.927 -1.280 1.00 42.44 H new ATOM 0 HE3 LYS A 650 -9.124 -19.938 -2.435 1.00 42.44 H new ATOM 0 HZ1 LYS A 650 -11.235 -20.675 -3.328 1.00 64.41 H new ATOM 0 HZ2 LYS A 650 -9.957 -21.344 -4.225 1.00 64.41 H new ATOM 0 HZ3 LYS A 650 -10.802 -22.302 -3.105 1.00 64.41 H new ATOM 1726 N LYS A 651 -2.565 -22.116 -0.365 1.00 62.01 N ATOM 1727 CA LYS A 651 -1.278 -22.791 -0.389 1.00 12.05 C ATOM 1728 C LYS A 651 -0.271 -21.988 0.437 1.00 21.11 C ATOM 1729 O LYS A 651 -0.159 -20.774 0.277 1.00 52.33 O ATOM 1730 CB LYS A 651 -0.831 -23.042 -1.830 1.00 1.10 C ATOM 1731 CG LYS A 651 -1.353 -24.387 -2.340 1.00 3.12 C ATOM 1732 CD LYS A 651 -0.620 -25.550 -1.667 1.00 50.44 C ATOM 1733 CE LYS A 651 0.608 -25.967 -2.479 1.00 53.15 C ATOM 1734 NZ LYS A 651 1.600 -26.639 -1.611 1.00 12.23 N ATOM 0 H LYS A 651 -2.513 -21.098 -0.390 1.00 62.01 H new ATOM 0 HA LYS A 651 -1.355 -23.776 0.072 1.00 12.05 H new ATOM 0 HB2 LYS A 651 -1.194 -22.240 -2.472 1.00 1.10 H new ATOM 0 HB3 LYS A 651 0.257 -23.026 -1.885 1.00 1.10 H new ATOM 0 HG2 LYS A 651 -2.422 -24.464 -2.144 1.00 3.12 H new ATOM 0 HG3 LYS A 651 -1.222 -24.446 -3.420 1.00 3.12 H new ATOM 0 HD2 LYS A 651 -0.314 -25.259 -0.662 1.00 50.44 H new ATOM 0 HD3 LYS A 651 -1.296 -26.398 -1.562 1.00 50.44 H new ATOM 0 HE2 LYS A 651 0.308 -26.637 -3.285 1.00 53.15 H new ATOM 0 HE3 LYS A 651 1.058 -25.090 -2.945 1.00 53.15 H new ATOM 0 HZ1 LYS A 651 2.427 -26.915 -2.178 1.00 12.23 H new ATOM 0 HZ2 LYS A 651 1.899 -25.988 -0.857 1.00 12.23 H new ATOM 0 HZ3 LYS A 651 1.172 -27.487 -1.187 1.00 12.23 H new ATOM 1747 N TRP A 652 0.437 -22.699 1.303 1.00 72.05 N ATOM 1748 CA TRP A 652 1.431 -22.068 2.154 1.00 41.24 C ATOM 1749 C TRP A 652 2.515 -21.472 1.253 1.00 60.22 C ATOM 1750 O TRP A 652 3.313 -20.648 1.697 1.00 13.01 O ATOM 1751 CB TRP A 652 1.984 -23.060 3.179 1.00 43.52 C ATOM 1752 CG TRP A 652 0.923 -23.648 4.110 1.00 21.45 C ATOM 1753 CD1 TRP A 652 0.060 -24.641 3.855 1.00 50.02 C ATOM 1754 CD2 TRP A 652 0.646 -23.238 5.466 1.00 22.33 C ATOM 1755 NE1 TRP A 652 -0.750 -24.900 4.942 1.00 1.30 N ATOM 1756 CE2 TRP A 652 -0.382 -24.020 5.953 1.00 2.41 C ATOM 1757 CE3 TRP A 652 1.245 -22.240 6.255 1.00 32.32 C ATOM 1758 CZ2 TRP A 652 -0.902 -23.884 7.246 1.00 64.10 C ATOM 1759 CZ3 TRP A 652 0.714 -22.117 7.545 1.00 71.51 C ATOM 1760 CH2 TRP A 652 -0.321 -22.896 8.050 1.00 61.01 C ATOM 0 H TRP A 652 0.342 -23.706 1.433 1.00 72.05 H new ATOM 0 HA TRP A 652 0.984 -21.264 2.739 1.00 41.24 H new ATOM 0 HB2 TRP A 652 2.480 -23.874 2.651 1.00 43.52 H new ATOM 0 HB3 TRP A 652 2.744 -22.560 3.780 1.00 43.52 H new ATOM 0 HD1 TRP A 652 0.005 -25.172 2.916 1.00 50.02 H new ATOM 0 HE1 TRP A 652 -1.483 -25.607 4.994 1.00 1.30 H new ATOM 0 HE3 TRP A 652 2.051 -21.618 5.895 1.00 32.32 H new ATOM 0 HZ2 TRP A 652 -1.708 -24.508 7.604 1.00 64.10 H new ATOM 0 HZ3 TRP A 652 1.138 -21.364 8.193 1.00 71.51 H new ATOM 0 HH2 TRP A 652 -0.675 -22.740 9.058 1.00 61.01 H new ATOM 1771 N SER A 653 2.509 -21.913 0.003 1.00 10.33 N ATOM 1772 CA SER A 653 3.482 -21.434 -0.964 1.00 13.51 C ATOM 1773 C SER A 653 3.236 -19.953 -1.263 1.00 65.33 C ATOM 1774 O SER A 653 4.049 -19.307 -1.923 1.00 53.21 O ATOM 1775 CB SER A 653 3.424 -22.253 -2.255 1.00 3.32 C ATOM 1776 OG SER A 653 4.407 -21.833 -3.198 1.00 11.23 O ATOM 0 H SER A 653 1.846 -22.597 -0.362 1.00 10.33 H new ATOM 0 HA SER A 653 4.477 -21.552 -0.536 1.00 13.51 H new ATOM 0 HB2 SER A 653 3.572 -23.308 -2.022 1.00 3.32 H new ATOM 0 HB3 SER A 653 2.433 -22.160 -2.699 1.00 3.32 H new ATOM 0 HG SER A 653 4.651 -20.900 -3.023 1.00 11.23 H new ATOM 1782 N ARG A 654 2.113 -19.460 -0.764 1.00 1.34 N ATOM 1783 CA ARG A 654 1.751 -18.068 -0.969 1.00 54.42 C ATOM 1784 C ARG A 654 1.756 -17.315 0.363 1.00 22.31 C ATOM 1785 O ARG A 654 1.734 -16.086 0.386 1.00 50.33 O ATOM 1786 CB ARG A 654 0.366 -17.948 -1.609 1.00 11.21 C ATOM 1787 CG ARG A 654 0.065 -19.158 -2.496 1.00 0.14 C ATOM 1788 CD ARG A 654 1.066 -19.255 -3.648 1.00 63.44 C ATOM 1789 NE ARG A 654 0.458 -19.979 -4.787 1.00 51.43 N ATOM 1790 CZ ARG A 654 1.058 -20.146 -5.985 1.00 52.21 C ATOM 1791 NH1 ARG A 654 2.290 -19.642 -6.211 1.00 14.42 N ATOM 1792 NH2 ARG A 654 0.422 -20.809 -6.932 1.00 73.44 N ATOM 0 H ARG A 654 1.441 -20.000 -0.218 1.00 1.34 H new ATOM 0 HA ARG A 654 2.489 -17.629 -1.640 1.00 54.42 H new ATOM 0 HB2 ARG A 654 -0.392 -17.866 -0.830 1.00 11.21 H new ATOM 0 HB3 ARG A 654 0.314 -17.035 -2.203 1.00 11.21 H new ATOM 0 HG2 ARG A 654 0.102 -20.069 -1.899 1.00 0.14 H new ATOM 0 HG3 ARG A 654 -0.947 -19.079 -2.894 1.00 0.14 H new ATOM 0 HD2 ARG A 654 1.370 -18.256 -3.962 1.00 63.44 H new ATOM 0 HD3 ARG A 654 1.966 -19.773 -3.316 1.00 63.44 H new ATOM 0 HE ARG A 654 -0.473 -20.377 -4.659 1.00 51.43 H new ATOM 0 HH11 ARG A 654 2.775 -19.130 -5.474 1.00 14.42 H new ATOM 0 HH12 ARG A 654 2.736 -19.773 -7.119 1.00 14.42 H new ATOM 0 HH21 ARG A 654 -0.509 -21.186 -6.753 1.00 73.44 H new ATOM 0 HH22 ARG A 654 0.861 -20.944 -7.843 1.00 73.44 H new ATOM 1805 N VAL A 655 1.786 -18.085 1.441 1.00 61.32 N ATOM 1806 CA VAL A 655 1.795 -17.507 2.774 1.00 51.12 C ATOM 1807 C VAL A 655 2.700 -16.273 2.784 1.00 75.13 C ATOM 1808 O VAL A 655 3.847 -16.336 2.344 1.00 34.32 O ATOM 1809 CB VAL A 655 2.212 -18.563 3.800 1.00 45.45 C ATOM 1810 CG1 VAL A 655 2.913 -17.917 4.997 1.00 50.13 C ATOM 1811 CG2 VAL A 655 1.010 -19.394 4.251 1.00 62.43 C ATOM 0 H VAL A 655 1.804 -19.105 1.418 1.00 61.32 H new ATOM 0 HA VAL A 655 0.794 -17.179 3.055 1.00 51.12 H new ATOM 0 HB VAL A 655 2.922 -19.236 3.319 1.00 45.45 H new ATOM 0 HG11 VAL A 655 3.199 -18.689 5.711 1.00 50.13 H new ATOM 0 HG12 VAL A 655 3.804 -17.390 4.656 1.00 50.13 H new ATOM 0 HG13 VAL A 655 2.236 -17.211 5.478 1.00 50.13 H new ATOM 0 HG21 VAL A 655 1.334 -20.137 4.980 1.00 62.43 H new ATOM 0 HG22 VAL A 655 0.266 -18.740 4.706 1.00 62.43 H new ATOM 0 HG23 VAL A 655 0.572 -19.898 3.389 1.00 62.43 H new ATOM 1821 N PRO A 656 2.135 -15.150 3.303 1.00 34.32 N ATOM 1822 CA PRO A 656 2.877 -13.904 3.376 1.00 4.31 C ATOM 1823 C PRO A 656 3.911 -13.947 4.503 1.00 5.30 C ATOM 1824 O PRO A 656 5.087 -13.661 4.282 1.00 24.35 O ATOM 1825 CB PRO A 656 1.822 -12.828 3.579 1.00 64.44 C ATOM 1826 CG PRO A 656 0.581 -13.551 4.075 1.00 12.04 C ATOM 1827 CD PRO A 656 0.779 -15.038 3.833 1.00 33.30 C ATOM 0 HA PRO A 656 3.458 -13.708 2.475 1.00 4.31 H new ATOM 0 HB2 PRO A 656 2.156 -12.084 4.303 1.00 64.44 H new ATOM 0 HB3 PRO A 656 1.620 -12.298 2.648 1.00 64.44 H new ATOM 0 HG2 PRO A 656 0.423 -13.355 5.136 1.00 12.04 H new ATOM 0 HG3 PRO A 656 -0.305 -13.193 3.550 1.00 12.04 H new ATOM 0 HD2 PRO A 656 0.666 -15.608 4.755 1.00 33.30 H new ATOM 0 HD3 PRO A 656 0.045 -15.426 3.127 1.00 33.30 H new ATOM 1835 N PHE A 657 3.436 -14.306 5.686 1.00 14.22 N ATOM 1836 CA PHE A 657 4.304 -14.390 6.848 1.00 1.11 C ATOM 1837 C PHE A 657 5.315 -15.528 6.695 1.00 23.04 C ATOM 1838 O PHE A 657 5.152 -16.398 5.841 1.00 43.41 O ATOM 1839 CB PHE A 657 3.409 -14.677 8.055 1.00 24.15 C ATOM 1840 CG PHE A 657 2.682 -16.021 7.985 1.00 75.01 C ATOM 1841 CD1 PHE A 657 1.470 -16.107 7.372 1.00 24.12 C ATOM 1842 CD2 PHE A 657 3.246 -17.130 8.535 1.00 53.41 C ATOM 1843 CE1 PHE A 657 0.795 -17.354 7.307 1.00 71.53 C ATOM 1844 CE2 PHE A 657 2.570 -18.377 8.469 1.00 2.14 C ATOM 1845 CZ PHE A 657 1.359 -18.463 7.857 1.00 61.03 C ATOM 0 H PHE A 657 2.460 -14.542 5.865 1.00 14.22 H new ATOM 0 HA PHE A 657 4.860 -13.460 6.966 1.00 1.11 H new ATOM 0 HB2 PHE A 657 4.017 -14.651 8.959 1.00 24.15 H new ATOM 0 HB3 PHE A 657 2.670 -13.880 8.144 1.00 24.15 H new ATOM 0 HD1 PHE A 657 1.022 -15.227 6.935 1.00 24.12 H new ATOM 0 HD2 PHE A 657 4.208 -17.062 9.022 1.00 53.41 H new ATOM 0 HE1 PHE A 657 -0.167 -17.422 6.821 1.00 71.53 H new ATOM 0 HE2 PHE A 657 3.018 -19.258 8.905 1.00 2.14 H new ATOM 0 HZ PHE A 657 0.845 -19.412 7.808 1.00 61.03 H new ATOM 1855 N SER A 658 6.338 -15.485 7.537 1.00 34.42 N ATOM 1856 CA SER A 658 7.375 -16.502 7.507 1.00 61.24 C ATOM 1857 C SER A 658 6.988 -17.672 8.413 1.00 21.24 C ATOM 1858 O SER A 658 6.332 -17.479 9.436 1.00 75.35 O ATOM 1859 CB SER A 658 8.726 -15.924 7.934 1.00 53.14 C ATOM 1860 OG SER A 658 8.883 -14.571 7.516 1.00 11.51 O ATOM 0 H SER A 658 6.470 -14.762 8.244 1.00 34.42 H new ATOM 0 HA SER A 658 7.471 -16.861 6.482 1.00 61.24 H new ATOM 0 HB2 SER A 658 8.819 -15.982 9.019 1.00 53.14 H new ATOM 0 HB3 SER A 658 9.529 -16.529 7.513 1.00 53.14 H new ATOM 0 HG SER A 658 9.757 -14.237 7.809 1.00 11.51 H new ATOM 1866 N VAL A 659 7.411 -18.860 8.006 1.00 5.25 N ATOM 1867 CA VAL A 659 7.117 -20.061 8.769 1.00 25.04 C ATOM 1868 C VAL A 659 8.395 -20.888 8.922 1.00 24.34 C ATOM 1869 O VAL A 659 8.757 -21.650 8.027 1.00 33.42 O ATOM 1870 CB VAL A 659 5.979 -20.837 8.105 1.00 74.30 C ATOM 1871 CG1 VAL A 659 5.336 -21.818 9.089 1.00 44.54 C ATOM 1872 CG2 VAL A 659 4.934 -19.885 7.519 1.00 4.33 C ATOM 0 H VAL A 659 7.955 -19.016 7.158 1.00 5.25 H new ATOM 0 HA VAL A 659 6.775 -19.803 9.771 1.00 25.04 H new ATOM 0 HB VAL A 659 6.403 -21.415 7.284 1.00 74.30 H new ATOM 0 HG11 VAL A 659 4.530 -22.357 8.591 1.00 44.54 H new ATOM 0 HG12 VAL A 659 6.086 -22.528 9.437 1.00 44.54 H new ATOM 0 HG13 VAL A 659 4.934 -21.269 9.940 1.00 44.54 H new ATOM 0 HG21 VAL A 659 4.136 -20.463 7.053 1.00 4.33 H new ATOM 0 HG22 VAL A 659 4.518 -19.267 8.315 1.00 4.33 H new ATOM 0 HG23 VAL A 659 5.403 -19.245 6.771 1.00 4.33 H new ATOM 1882 N PRO A 660 9.062 -20.705 10.094 1.00 74.42 N ATOM 1883 CA PRO A 660 10.292 -21.426 10.376 1.00 55.13 C ATOM 1884 C PRO A 660 10.003 -22.887 10.728 1.00 51.41 C ATOM 1885 O PRO A 660 8.939 -23.203 11.257 1.00 15.42 O ATOM 1886 CB PRO A 660 10.945 -20.659 11.513 1.00 1.53 C ATOM 1887 CG PRO A 660 9.843 -19.816 12.135 1.00 21.33 C ATOM 1888 CD PRO A 660 8.663 -19.811 11.177 1.00 23.20 C ATOM 0 HA PRO A 660 10.957 -21.477 9.514 1.00 55.13 H new ATOM 0 HB2 PRO A 660 11.377 -21.340 12.246 1.00 1.53 H new ATOM 0 HB3 PRO A 660 11.756 -20.031 11.145 1.00 1.53 H new ATOM 0 HG2 PRO A 660 9.548 -20.225 13.101 1.00 21.33 H new ATOM 0 HG3 PRO A 660 10.194 -18.800 12.313 1.00 21.33 H new ATOM 0 HD2 PRO A 660 7.754 -20.162 11.666 1.00 23.20 H new ATOM 0 HD3 PRO A 660 8.458 -18.807 10.806 1.00 23.20 H new ATOM 1896 N ASP A 661 10.970 -23.738 10.420 1.00 71.40 N ATOM 1897 CA ASP A 661 10.833 -25.158 10.697 1.00 21.15 C ATOM 1898 C ASP A 661 10.847 -25.381 12.211 1.00 31.11 C ATOM 1899 O ASP A 661 11.390 -24.568 12.957 1.00 14.51 O ATOM 1900 CB ASP A 661 11.993 -25.952 10.092 1.00 14.21 C ATOM 1901 CG ASP A 661 13.382 -25.362 10.345 1.00 35.11 C ATOM 1902 OD1 ASP A 661 13.896 -25.401 11.473 1.00 42.24 O ATOM 1903 OD2 ASP A 661 13.948 -24.839 9.311 1.00 1.31 O ATOM 0 H ASP A 661 11.852 -23.472 9.981 1.00 71.40 H new ATOM 0 HA ASP A 661 9.895 -25.498 10.258 1.00 21.15 H new ATOM 0 HB2 ASP A 661 11.967 -26.966 10.492 1.00 14.21 H new ATOM 0 HB3 ASP A 661 11.838 -26.030 9.016 1.00 14.21 H new ATOM 1909 N PHE A 662 10.243 -26.488 12.620 1.00 44.45 N ATOM 1910 CA PHE A 662 10.179 -26.828 14.031 1.00 43.13 C ATOM 1911 C PHE A 662 11.579 -27.063 14.602 1.00 1.42 C ATOM 1912 O PHE A 662 12.216 -28.070 14.300 1.00 61.43 O ATOM 1913 CB PHE A 662 9.372 -28.123 14.142 1.00 2.23 C ATOM 1914 CG PHE A 662 9.259 -28.664 15.569 1.00 72.32 C ATOM 1915 CD1 PHE A 662 8.264 -28.225 16.386 1.00 61.42 C ATOM 1916 CD2 PHE A 662 10.153 -29.585 16.020 1.00 52.22 C ATOM 1917 CE1 PHE A 662 8.159 -28.728 17.710 1.00 72.13 C ATOM 1918 CE2 PHE A 662 10.048 -30.087 17.344 1.00 75.44 C ATOM 1919 CZ PHE A 662 9.053 -29.649 18.161 1.00 52.54 C ATOM 0 H PHE A 662 9.794 -27.161 11.998 1.00 44.45 H new ATOM 0 HA PHE A 662 9.720 -26.013 14.590 1.00 43.13 H new ATOM 0 HB2 PHE A 662 8.370 -27.950 13.749 1.00 2.23 H new ATOM 0 HB3 PHE A 662 9.834 -28.883 13.512 1.00 2.23 H new ATOM 0 HD1 PHE A 662 7.554 -27.494 16.028 1.00 61.42 H new ATOM 0 HD2 PHE A 662 10.942 -29.934 15.371 1.00 52.22 H new ATOM 0 HE1 PHE A 662 7.369 -28.379 18.359 1.00 72.13 H new ATOM 0 HE2 PHE A 662 10.759 -30.817 17.702 1.00 75.44 H new ATOM 0 HZ PHE A 662 8.973 -30.032 19.168 1.00 52.54 H new