USER MOD reduce.3.24.130724 H: found=0, std=0, add=1244, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1247 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: B 574 HIS : no HE2:sc= -1 K(o=-0.89,f=-4.1) USER MOD Set 1.2: B 623 CYS SG : rot 116:sc= 0.111 USER MOD Set 2.1: B 563 LYS NZ :NH3+ 166:sc= -0.0617 (180deg=-0.439) USER MOD Set 2.2: B 564 THR OG1 : rot 67:sc= 1.28 USER MOD Set 3.1: B 531 LYS NZ :NH3+ -134:sc= -0.0589 (180deg=-0.275) USER MOD Set 3.2: B 536 ASN : amide:sc= -1.11 K(o=-1.2,f=-0.41) USER MOD Set 4.1: A 21 LYS NZ :NH3+ -162:sc= -0.0561 (180deg=-0.41) USER MOD Set 4.2: A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -39:sc= 0.987 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -0.568 X(o=-0.57,f=-0.72) USER MOD Single : A 8 ASN : amide:sc= -0.376 K(o=-0.38,f=-5.2!) USER MOD Single : A 13 LYS NZ :NH3+ -166:sc= -0.0124 (180deg=-0.231) USER MOD Single : A 20 ASN : amide:sc= -0.0127 X(o=-0.013,f=-0.4) USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : B 505 SER OG : rot 28:sc= 0.378 USER MOD Single : B 508 MET CE :methyl -143:sc= 0 (180deg=-0.528) USER MOD Single : B 509 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 514 LYS NZ :NH3+ -147:sc= -1.45 (180deg=-3.54!) USER MOD Single : B 519 THR OG1 : rot -11:sc= 1.01 USER MOD Single : B 522 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 528 CYS SG : rot -19:sc= -0.968 USER MOD Single : B 530 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 534 LYS NZ :NH3+ -178:sc= -0.432 (180deg=-0.452) USER MOD Single : B 537 LYS NZ :NH3+ 148:sc= -0.98! (180deg=-2.01!) USER MOD Single : B 542 SER OG : rot -33:sc= 1.24 USER MOD Single : B 543 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : B 545 MET CE :methyl -161:sc= -0.0109 (180deg=-0.164) USER MOD Single : B 546 TYR OH : rot 180:sc= 0 USER MOD Single : B 550 GLN : amide:sc= -2.81! K(o=-2.8!,f=-0.086) USER MOD Single : B 551 TYR OH : rot 180:sc= 0 USER MOD Single : B 558 HIS : no HE2:sc= -1.47 K(o=-1.5,f=-4.3!) USER MOD Single : B 560 LYS NZ :NH3+ -166:sc= -0.036 (180deg=-0.295) USER MOD Single : B 567 ASN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : B 568 LYS NZ :NH3+ -160:sc= -3.21! (180deg=-4.78!) USER MOD Single : B 573 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 576 THR OG1 : rot 180:sc= 0 USER MOD Single : B 577 HIS : no HD1:sc= -1.28 K(o=-1.3,f=-2.6!) USER MOD Single : B 581 GLN : amide:sc= -2.57! C(o=-2.6!,f=-11!) USER MOD Single : B 583 MET CE :methyl -116:sc= -0.441 (180deg=-2.1!) USER MOD Single : B 585 CYS SG : rot 142:sc= 0.139 USER MOD Single : B 587 THR OG1 : rot 76:sc= 0.449 USER MOD Single : B 590 LYS NZ :NH3+ -163:sc= -0.05 (180deg=-0.316) USER MOD Single : B 593 GLN : amide:sc= -1.63 K(o=-1.6,f=-0.75) USER MOD Single : B 594 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 595 CYS SG : rot 180:sc= 0 USER MOD Single : B 598 HIS : no HD1:sc= -1.83 K(o=-1.8,f=-3.6) USER MOD Single : B 601 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 603 GLN : amide:sc= -2.04 K(o=-2,f=-0.36) USER MOD Single : B 608 MET CE :methyl 161:sc= -0.124 (180deg=-0.595) USER MOD Single : B 616 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : B 617 ASN : amide:sc= -2.14! K(o=-2.1!,f=-0.32) USER MOD Single : B 619 ASN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : B 620 THR OG1 : rot 180:sc= 0 USER MOD Single : B 626 GLN : amide:sc= -1.87 K(o=-1.9,f=-1.2) USER MOD Single : B 628 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : B 629 GLN : amide:sc= -5.11! C(o=-5.1!,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.637 1.413 12.253 1.00 9.86 N ATOM 2 CA GLY A 1 18.999 1.637 12.810 1.00 9.49 C ATOM 3 C GLY A 1 19.549 3.005 12.460 1.00 8.77 C ATOM 4 O GLY A 1 20.505 3.118 11.691 1.00 8.88 O ATOM 0 H1 GLY A 1 17.305 0.464 12.519 1.00 9.86 H new ATOM 0 H2 GLY A 1 16.984 2.128 12.633 1.00 9.86 H new ATOM 0 H3 GLY A 1 17.669 1.490 11.216 1.00 9.86 H new ATOM 0 HA2 GLY A 1 18.968 1.528 13.894 1.00 9.49 H new ATOM 0 HA3 GLY A 1 19.674 0.869 12.432 1.00 9.49 H new ATOM 10 N SER A 2 18.941 4.048 13.023 1.00 8.31 N ATOM 11 CA SER A 2 19.372 5.420 12.767 1.00 7.88 C ATOM 12 C SER A 2 19.309 5.738 11.276 1.00 7.19 C ATOM 13 O SER A 2 19.974 6.655 10.793 1.00 7.34 O ATOM 14 CB SER A 2 20.793 5.637 13.294 1.00 8.41 C ATOM 15 OG SER A 2 21.211 6.979 13.105 1.00 8.78 O ATOM 0 H SER A 2 18.148 3.968 13.660 1.00 8.31 H new ATOM 0 HA SER A 2 18.695 6.094 13.291 1.00 7.88 H new ATOM 0 HB2 SER A 2 20.833 5.387 14.354 1.00 8.41 H new ATOM 0 HB3 SER A 2 21.480 4.964 12.782 1.00 8.41 H new ATOM 0 HG SER A 2 20.896 7.300 12.234 1.00 8.78 H new ATOM 21 N ALA A 3 18.501 4.969 10.551 1.00 6.75 N ATOM 22 CA ALA A 3 18.344 5.160 9.114 1.00 6.38 C ATOM 23 C ALA A 3 17.462 6.369 8.814 1.00 5.72 C ATOM 24 O ALA A 3 17.594 7.000 7.766 1.00 5.87 O ATOM 25 CB ALA A 3 17.762 3.907 8.478 1.00 6.82 C ATOM 0 H ALA A 3 17.944 4.207 10.937 1.00 6.75 H new ATOM 0 HA ALA A 3 19.329 5.348 8.686 1.00 6.38 H new ATOM 0 HB1 ALA A 3 17.650 4.062 7.405 1.00 6.82 H new ATOM 0 HB2 ALA A 3 18.431 3.065 8.655 1.00 6.82 H new ATOM 0 HB3 ALA A 3 16.788 3.695 8.918 1.00 6.82 H new ATOM 31 N SER A 4 16.564 6.685 9.742 1.00 5.38 N ATOM 32 CA SER A 4 15.659 7.818 9.581 1.00 5.10 C ATOM 33 C SER A 4 14.958 8.144 10.896 1.00 4.43 C ATOM 34 O SER A 4 15.290 9.128 11.557 1.00 4.55 O ATOM 35 CB SER A 4 14.624 7.525 8.495 1.00 5.78 C ATOM 36 OG SER A 4 13.733 8.615 8.334 1.00 6.25 O ATOM 0 H SER A 4 16.444 6.171 10.615 1.00 5.38 H new ATOM 0 HA SER A 4 16.251 8.683 9.281 1.00 5.10 H new ATOM 0 HB2 SER A 4 15.130 7.322 7.551 1.00 5.78 H new ATOM 0 HB3 SER A 4 14.063 6.628 8.755 1.00 5.78 H new ATOM 0 HG SER A 4 13.082 8.404 7.633 1.00 6.25 H new ATOM 42 N GLY A 5 13.991 7.315 11.271 1.00 4.12 N ATOM 43 CA GLY A 5 13.263 7.539 12.507 1.00 3.78 C ATOM 44 C GLY A 5 12.234 8.645 12.382 1.00 3.46 C ATOM 45 O GLY A 5 12.032 9.422 13.316 1.00 3.82 O ATOM 0 H GLY A 5 13.698 6.493 10.743 1.00 4.12 H new ATOM 0 HA2 GLY A 5 12.765 6.616 12.804 1.00 3.78 H new ATOM 0 HA3 GLY A 5 13.968 7.791 13.300 1.00 3.78 H new ATOM 49 N ASN A 6 11.588 8.717 11.223 1.00 3.11 N ATOM 50 CA ASN A 6 10.572 9.730 10.970 1.00 2.93 C ATOM 51 C ASN A 6 9.513 9.195 10.013 1.00 2.42 C ATOM 52 O ASN A 6 8.359 9.616 10.047 1.00 2.39 O ATOM 53 CB ASN A 6 11.210 10.999 10.395 1.00 3.19 C ATOM 54 CG ASN A 6 12.162 11.660 11.373 1.00 3.56 C ATOM 55 OD1 ASN A 6 13.357 11.364 11.392 1.00 3.97 O ATOM 56 ND2 ASN A 6 11.636 12.559 12.196 1.00 4.03 N ATOM 0 H ASN A 6 11.752 8.082 10.441 1.00 3.11 H new ATOM 0 HA ASN A 6 10.094 9.979 11.917 1.00 2.93 H new ATOM 0 HB2 ASN A 6 11.748 10.750 9.480 1.00 3.19 H new ATOM 0 HB3 ASN A 6 10.426 11.705 10.121 1.00 3.19 H new ATOM 0 HD21 ASN A 6 12.228 13.034 12.878 1.00 4.03 H new ATOM 0 HD22 ASN A 6 10.640 12.775 12.147 1.00 4.03 H new ATOM 63 N LEU A 7 9.922 8.264 9.155 1.00 2.21 N ATOM 64 CA LEU A 7 9.017 7.659 8.185 1.00 1.95 C ATOM 65 C LEU A 7 8.181 6.548 8.821 1.00 2.03 C ATOM 66 O LEU A 7 7.180 6.111 8.253 1.00 2.04 O ATOM 67 CB LEU A 7 9.816 7.111 6.998 1.00 2.09 C ATOM 68 CG LEU A 7 8.987 6.427 5.908 1.00 1.70 C ATOM 69 CD1 LEU A 7 9.459 6.866 4.530 1.00 2.02 C ATOM 70 CD2 LEU A 7 9.075 4.913 6.043 1.00 2.01 C ATOM 0 H LEU A 7 10.878 7.912 9.113 1.00 2.21 H new ATOM 0 HA LEU A 7 8.332 8.430 7.832 1.00 1.95 H new ATOM 0 HB2 LEU A 7 10.372 7.932 6.546 1.00 2.09 H new ATOM 0 HB3 LEU A 7 10.550 6.398 7.374 1.00 2.09 H new ATOM 0 HG LEU A 7 7.945 6.724 6.028 1.00 1.70 H new ATOM 0 HD11 LEU A 7 8.860 6.371 3.766 1.00 2.02 H new ATOM 0 HD12 LEU A 7 9.349 7.946 4.435 1.00 2.02 H new ATOM 0 HD13 LEU A 7 10.507 6.596 4.401 1.00 2.02 H new ATOM 0 HD21 LEU A 7 8.480 4.443 5.260 1.00 2.01 H new ATOM 0 HD22 LEU A 7 10.114 4.599 5.947 1.00 2.01 H new ATOM 0 HD23 LEU A 7 8.694 4.612 7.019 1.00 2.01 H new ATOM 82 N ASN A 8 8.594 6.100 10.004 1.00 2.30 N ATOM 83 CA ASN A 8 7.893 5.028 10.709 1.00 2.54 C ATOM 84 C ASN A 8 6.457 5.417 11.051 1.00 2.33 C ATOM 85 O ASN A 8 5.556 4.577 11.024 1.00 2.42 O ATOM 86 CB ASN A 8 8.645 4.651 11.987 1.00 3.04 C ATOM 87 CG ASN A 8 8.653 5.772 13.009 1.00 3.36 C ATOM 88 OD1 ASN A 8 8.656 6.951 12.656 1.00 3.79 O ATOM 89 ND2 ASN A 8 8.655 5.408 14.285 1.00 3.72 N ATOM 0 H ASN A 8 9.411 6.462 10.496 1.00 2.30 H new ATOM 0 HA ASN A 8 7.858 4.168 10.040 1.00 2.54 H new ATOM 0 HB2 ASN A 8 8.186 3.766 12.427 1.00 3.04 H new ATOM 0 HB3 ASN A 8 9.672 4.386 11.736 1.00 3.04 H new ATOM 0 HD21 ASN A 8 8.659 6.118 15.018 1.00 3.72 H new ATOM 0 HD22 ASN A 8 8.652 4.419 14.533 1.00 3.72 H new ATOM 96 N GLU A 9 6.246 6.688 11.376 1.00 2.24 N ATOM 97 CA GLU A 9 4.917 7.176 11.732 1.00 2.25 C ATOM 98 C GLU A 9 4.021 7.296 10.502 1.00 1.83 C ATOM 99 O GLU A 9 2.796 7.254 10.611 1.00 1.95 O ATOM 100 CB GLU A 9 5.020 8.532 12.431 1.00 2.63 C ATOM 101 CG GLU A 9 5.673 9.604 11.576 1.00 3.15 C ATOM 102 CD GLU A 9 5.744 10.945 12.279 1.00 3.69 C ATOM 103 OE1 GLU A 9 6.743 11.195 12.985 1.00 4.02 O ATOM 104 OE2 GLU A 9 4.796 11.745 12.126 1.00 4.17 O ATOM 0 H GLU A 9 6.977 7.399 11.400 1.00 2.24 H new ATOM 0 HA GLU A 9 4.469 6.452 12.412 1.00 2.25 H new ATOM 0 HB2 GLU A 9 4.021 8.863 12.715 1.00 2.63 H new ATOM 0 HB3 GLU A 9 5.591 8.415 13.352 1.00 2.63 H new ATOM 0 HG2 GLU A 9 6.680 9.285 11.306 1.00 3.15 H new ATOM 0 HG3 GLU A 9 5.114 9.714 10.647 1.00 3.15 H new ATOM 111 N LEU A 10 4.637 7.447 9.335 1.00 1.57 N ATOM 112 CA LEU A 10 3.891 7.580 8.087 1.00 1.57 C ATOM 113 C LEU A 10 3.168 6.281 7.738 1.00 1.64 C ATOM 114 O LEU A 10 2.203 6.282 6.973 1.00 1.93 O ATOM 115 CB LEU A 10 4.835 7.972 6.949 1.00 1.77 C ATOM 116 CG LEU A 10 5.805 9.110 7.275 1.00 2.02 C ATOM 117 CD1 LEU A 10 6.742 9.364 6.105 1.00 2.38 C ATOM 118 CD2 LEU A 10 5.042 10.376 7.641 1.00 2.58 C ATOM 0 H LEU A 10 5.651 7.480 9.226 1.00 1.57 H new ATOM 0 HA LEU A 10 3.144 8.362 8.221 1.00 1.57 H new ATOM 0 HB2 LEU A 10 5.413 7.095 6.658 1.00 1.77 H new ATOM 0 HB3 LEU A 10 4.237 8.261 6.085 1.00 1.77 H new ATOM 0 HG LEU A 10 6.406 8.815 8.135 1.00 2.02 H new ATOM 0 HD11 LEU A 10 7.424 10.176 6.355 1.00 2.38 H new ATOM 0 HD12 LEU A 10 7.315 8.461 5.895 1.00 2.38 H new ATOM 0 HD13 LEU A 10 6.160 9.637 5.225 1.00 2.38 H new ATOM 0 HD21 LEU A 10 5.749 11.174 7.869 1.00 2.58 H new ATOM 0 HD22 LEU A 10 4.414 10.677 6.803 1.00 2.58 H new ATOM 0 HD23 LEU A 10 4.417 10.185 8.513 1.00 2.58 H new ATOM 130 N ALA A 11 3.640 5.176 8.306 1.00 1.78 N ATOM 131 CA ALA A 11 3.047 3.866 8.051 1.00 2.22 C ATOM 132 C ALA A 11 1.786 3.642 8.884 1.00 2.09 C ATOM 133 O ALA A 11 0.833 3.013 8.422 1.00 2.30 O ATOM 134 CB ALA A 11 4.063 2.769 8.330 1.00 2.84 C ATOM 0 H ALA A 11 4.433 5.161 8.947 1.00 1.78 H new ATOM 0 HA ALA A 11 2.758 3.832 7.001 1.00 2.22 H new ATOM 0 HB1 ALA A 11 3.611 1.796 8.137 1.00 2.84 H new ATOM 0 HB2 ALA A 11 4.929 2.902 7.682 1.00 2.84 H new ATOM 0 HB3 ALA A 11 4.379 2.822 9.372 1.00 2.84 H new ATOM 140 N LEU A 12 1.788 4.156 10.110 1.00 2.00 N ATOM 141 CA LEU A 12 0.644 4.004 11.007 1.00 2.17 C ATOM 142 C LEU A 12 -0.611 4.635 10.411 1.00 1.91 C ATOM 143 O LEU A 12 -1.727 4.183 10.670 1.00 2.14 O ATOM 144 CB LEU A 12 0.950 4.634 12.368 1.00 2.63 C ATOM 145 CG LEU A 12 -0.158 4.500 13.417 1.00 3.09 C ATOM 146 CD1 LEU A 12 -0.331 3.047 13.835 1.00 3.67 C ATOM 147 CD2 LEU A 12 0.144 5.368 14.629 1.00 3.46 C ATOM 0 H LEU A 12 2.567 4.681 10.506 1.00 2.00 H new ATOM 0 HA LEU A 12 0.460 2.938 11.139 1.00 2.17 H new ATOM 0 HB2 LEU A 12 1.859 4.180 12.764 1.00 2.63 H new ATOM 0 HB3 LEU A 12 1.161 5.693 12.220 1.00 2.63 H new ATOM 0 HG LEU A 12 -1.091 4.843 12.970 1.00 3.09 H new ATOM 0 HD11 LEU A 12 -1.123 2.975 14.581 1.00 3.67 H new ATOM 0 HD12 LEU A 12 -0.596 2.447 12.964 1.00 3.67 H new ATOM 0 HD13 LEU A 12 0.602 2.677 14.260 1.00 3.67 H new ATOM 0 HD21 LEU A 12 -0.655 5.259 15.363 1.00 3.46 H new ATOM 0 HD22 LEU A 12 1.090 5.057 15.073 1.00 3.46 H new ATOM 0 HD23 LEU A 12 0.214 6.411 14.321 1.00 3.46 H new ATOM 159 N LYS A 13 -0.422 5.679 9.611 1.00 1.79 N ATOM 160 CA LYS A 13 -1.542 6.377 8.985 1.00 2.05 C ATOM 161 C LYS A 13 -2.101 5.589 7.803 1.00 1.82 C ATOM 162 O LYS A 13 -3.304 5.617 7.545 1.00 2.14 O ATOM 163 CB LYS A 13 -1.109 7.772 8.526 1.00 2.54 C ATOM 164 CG LYS A 13 -1.072 8.805 9.644 1.00 3.11 C ATOM 165 CD LYS A 13 -0.044 8.451 10.707 1.00 3.66 C ATOM 166 CE LYS A 13 -0.017 9.484 11.821 1.00 4.38 C ATOM 167 NZ LYS A 13 0.354 10.834 11.315 1.00 4.93 N ATOM 0 H LYS A 13 0.495 6.061 9.380 1.00 1.79 H new ATOM 0 HA LYS A 13 -2.331 6.473 9.731 1.00 2.05 H new ATOM 0 HB2 LYS A 13 -0.119 7.704 8.074 1.00 2.54 H new ATOM 0 HB3 LYS A 13 -1.791 8.116 7.749 1.00 2.54 H new ATOM 0 HG2 LYS A 13 -0.840 9.785 9.226 1.00 3.11 H new ATOM 0 HG3 LYS A 13 -2.058 8.880 10.103 1.00 3.11 H new ATOM 0 HD2 LYS A 13 -0.273 7.470 11.124 1.00 3.66 H new ATOM 0 HD3 LYS A 13 0.943 8.380 10.251 1.00 3.66 H new ATOM 0 HE2 LYS A 13 -0.997 9.531 12.297 1.00 4.38 H new ATOM 0 HE3 LYS A 13 0.695 9.175 12.586 1.00 4.38 H new ATOM 0 HZ1 LYS A 13 0.593 11.452 12.117 1.00 4.93 H new ATOM 0 HZ2 LYS A 13 1.176 10.754 10.683 1.00 4.93 H new ATOM 0 HZ3 LYS A 13 -0.447 11.241 10.791 1.00 4.93 H new ATOM 181 N LEU A 14 -1.224 4.889 7.088 1.00 1.64 N ATOM 182 CA LEU A 14 -1.639 4.098 5.930 1.00 1.80 C ATOM 183 C LEU A 14 -2.664 3.040 6.334 1.00 1.73 C ATOM 184 O LEU A 14 -3.673 2.851 5.654 1.00 1.92 O ATOM 185 CB LEU A 14 -0.415 3.433 5.283 1.00 2.37 C ATOM 186 CG LEU A 14 -0.616 2.867 3.865 1.00 2.77 C ATOM 187 CD1 LEU A 14 -1.474 1.610 3.889 1.00 3.27 C ATOM 188 CD2 LEU A 14 -1.235 3.910 2.943 1.00 3.08 C ATOM 0 H LEU A 14 -0.224 4.852 7.288 1.00 1.64 H new ATOM 0 HA LEU A 14 -2.106 4.765 5.206 1.00 1.80 H new ATOM 0 HB2 LEU A 14 0.393 4.164 5.248 1.00 2.37 H new ATOM 0 HB3 LEU A 14 -0.084 2.622 5.931 1.00 2.37 H new ATOM 0 HG LEU A 14 0.367 2.602 3.477 1.00 2.77 H new ATOM 0 HD11 LEU A 14 -1.598 1.234 2.873 1.00 3.27 H new ATOM 0 HD12 LEU A 14 -0.988 0.850 4.500 1.00 3.27 H new ATOM 0 HD13 LEU A 14 -2.451 1.845 4.311 1.00 3.27 H new ATOM 0 HD21 LEU A 14 -1.366 3.484 1.948 1.00 3.08 H new ATOM 0 HD22 LEU A 14 -2.204 4.215 3.338 1.00 3.08 H new ATOM 0 HD23 LEU A 14 -0.578 4.778 2.883 1.00 3.08 H new ATOM 200 N ALA A 15 -2.402 2.360 7.446 1.00 1.91 N ATOM 201 CA ALA A 15 -3.297 1.316 7.939 1.00 2.49 C ATOM 202 C ALA A 15 -4.683 1.871 8.259 1.00 2.42 C ATOM 203 O ALA A 15 -5.618 1.113 8.522 1.00 2.94 O ATOM 204 CB ALA A 15 -2.697 0.641 9.165 1.00 3.13 C ATOM 0 H ALA A 15 -1.576 2.513 8.024 1.00 1.91 H new ATOM 0 HA ALA A 15 -3.413 0.575 7.148 1.00 2.49 H new ATOM 0 HB1 ALA A 15 -3.375 -0.135 9.522 1.00 3.13 H new ATOM 0 HB2 ALA A 15 -1.739 0.193 8.901 1.00 3.13 H new ATOM 0 HB3 ALA A 15 -2.547 1.381 9.951 1.00 3.13 H new ATOM 210 N GLY A 16 -4.809 3.194 8.238 1.00 2.11 N ATOM 211 CA GLY A 16 -6.085 3.824 8.524 1.00 2.47 C ATOM 212 C GLY A 16 -6.812 4.272 7.269 1.00 2.01 C ATOM 213 O GLY A 16 -7.258 5.415 7.177 1.00 2.42 O ATOM 0 H GLY A 16 -4.050 3.842 8.028 1.00 2.11 H new ATOM 0 HA2 GLY A 16 -6.715 3.125 9.074 1.00 2.47 H new ATOM 0 HA3 GLY A 16 -5.923 4.685 9.172 1.00 2.47 H new ATOM 217 N LEU A 17 -6.928 3.367 6.298 1.00 1.81 N ATOM 218 CA LEU A 17 -7.605 3.672 5.040 1.00 1.49 C ATOM 219 C LEU A 17 -8.831 2.777 4.869 1.00 1.60 C ATOM 220 O LEU A 17 -8.705 1.590 4.569 1.00 2.14 O ATOM 221 CB LEU A 17 -6.647 3.478 3.858 1.00 1.49 C ATOM 222 CG LEU A 17 -6.875 4.405 2.656 1.00 1.48 C ATOM 223 CD1 LEU A 17 -8.312 4.320 2.161 1.00 2.01 C ATOM 224 CD2 LEU A 17 -6.516 5.840 3.015 1.00 2.03 C ATOM 0 H LEU A 17 -6.562 2.417 6.359 1.00 1.81 H new ATOM 0 HA LEU A 17 -7.928 4.713 5.064 1.00 1.49 H new ATOM 0 HB2 LEU A 17 -5.627 3.620 4.214 1.00 1.49 H new ATOM 0 HB3 LEU A 17 -6.725 2.446 3.517 1.00 1.49 H new ATOM 0 HG LEU A 17 -6.223 4.075 1.847 1.00 1.48 H new ATOM 0 HD11 LEU A 17 -8.444 4.987 1.309 1.00 2.01 H new ATOM 0 HD12 LEU A 17 -8.532 3.297 1.858 1.00 2.01 H new ATOM 0 HD13 LEU A 17 -8.991 4.615 2.961 1.00 2.01 H new ATOM 0 HD21 LEU A 17 -6.683 6.484 2.152 1.00 2.03 H new ATOM 0 HD22 LEU A 17 -7.140 6.175 3.844 1.00 2.03 H new ATOM 0 HD23 LEU A 17 -5.467 5.890 3.307 1.00 2.03 H new ATOM 236 N ASP A 18 -10.015 3.352 5.061 1.00 1.65 N ATOM 237 CA ASP A 18 -11.256 2.598 4.935 1.00 2.11 C ATOM 238 C ASP A 18 -12.243 3.310 4.018 1.00 1.91 C ATOM 239 O ASP A 18 -12.441 4.521 4.121 1.00 2.04 O ATOM 240 CB ASP A 18 -11.884 2.383 6.313 1.00 2.91 C ATOM 241 CG ASP A 18 -10.989 1.579 7.236 1.00 3.44 C ATOM 242 OD1 ASP A 18 -10.049 2.168 7.812 1.00 3.79 O ATOM 243 OD2 ASP A 18 -11.229 0.363 7.386 1.00 3.92 O ATOM 0 H ASP A 18 -10.140 4.335 5.304 1.00 1.65 H new ATOM 0 HA ASP A 18 -11.019 1.630 4.493 1.00 2.11 H new ATOM 0 HB2 ASP A 18 -12.095 3.351 6.768 1.00 2.91 H new ATOM 0 HB3 ASP A 18 -12.839 1.869 6.198 1.00 2.91 H new ATOM 248 N ILE A 19 -12.859 2.549 3.118 1.00 2.16 N ATOM 249 CA ILE A 19 -13.831 3.100 2.182 1.00 2.28 C ATOM 250 C ILE A 19 -15.240 3.040 2.764 1.00 2.90 C ATOM 251 O ILE A 19 -16.089 3.873 2.448 1.00 3.25 O ATOM 252 CB ILE A 19 -13.802 2.347 0.834 1.00 2.05 C ATOM 253 CG1 ILE A 19 -12.409 2.447 0.202 1.00 1.84 C ATOM 254 CG2 ILE A 19 -14.860 2.900 -0.112 1.00 2.78 C ATOM 255 CD1 ILE A 19 -12.262 1.657 -1.082 1.00 1.64 C ATOM 0 H ILE A 19 -12.701 1.546 3.018 1.00 2.16 H new ATOM 0 HA ILE A 19 -13.557 4.141 2.009 1.00 2.28 H new ATOM 0 HB ILE A 19 -14.026 1.296 1.018 1.00 2.05 H new ATOM 0 HG12 ILE A 19 -12.186 3.495 0.000 1.00 1.84 H new ATOM 0 HG13 ILE A 19 -11.668 2.096 0.920 1.00 1.84 H new ATOM 0 HG21 ILE A 19 -14.824 2.357 -1.056 1.00 2.78 H new ATOM 0 HG22 ILE A 19 -15.846 2.782 0.337 1.00 2.78 H new ATOM 0 HG23 ILE A 19 -14.668 3.957 -0.294 1.00 2.78 H new ATOM 0 HD11 ILE A 19 -11.250 1.777 -1.469 1.00 1.64 H new ATOM 0 HD12 ILE A 19 -12.452 0.602 -0.884 1.00 1.64 H new ATOM 0 HD13 ILE A 19 -12.978 2.023 -1.818 1.00 1.64 H new ATOM 267 N ASN A 20 -15.479 2.053 3.623 1.00 3.46 N ATOM 268 CA ASN A 20 -16.786 1.881 4.249 1.00 4.28 C ATOM 269 C ASN A 20 -17.142 3.086 5.115 1.00 4.91 C ATOM 270 O ASN A 20 -17.983 3.904 4.739 1.00 5.31 O ATOM 271 CB ASN A 20 -16.803 0.609 5.099 1.00 4.79 C ATOM 272 CG ASN A 20 -16.416 -0.623 4.304 1.00 5.35 C ATOM 273 OD1 ASN A 20 -16.663 -0.701 3.099 1.00 5.63 O ATOM 274 ND2 ASN A 20 -15.804 -1.592 4.973 1.00 5.95 N ATOM 0 H ASN A 20 -14.784 1.360 3.901 1.00 3.46 H new ATOM 0 HA ASN A 20 -17.529 1.794 3.457 1.00 4.28 H new ATOM 0 HB2 ASN A 20 -16.117 0.727 5.938 1.00 4.79 H new ATOM 0 HB3 ASN A 20 -17.799 0.469 5.519 1.00 4.79 H new ATOM 0 HD21 ASN A 20 -15.518 -2.444 4.490 1.00 5.95 H new ATOM 0 HD22 ASN A 20 -15.619 -1.485 5.970 1.00 5.95 H new ATOM 281 N LYS A 21 -16.495 3.188 6.273 1.00 5.40 N ATOM 282 CA LYS A 21 -16.740 4.290 7.199 1.00 6.25 C ATOM 283 C LYS A 21 -15.717 4.286 8.334 1.00 6.80 C ATOM 284 O LYS A 21 -14.631 3.720 8.196 1.00 7.04 O ATOM 285 CB LYS A 21 -18.157 4.195 7.773 1.00 6.80 C ATOM 286 CG LYS A 21 -18.417 2.911 8.544 1.00 7.47 C ATOM 287 CD LYS A 21 -19.842 2.851 9.069 1.00 8.15 C ATOM 288 CE LYS A 21 -20.089 3.901 10.140 1.00 8.86 C ATOM 289 NZ LYS A 21 -19.172 3.734 11.301 1.00 9.39 N ATOM 0 H LYS A 21 -15.795 2.519 6.593 1.00 5.40 H new ATOM 0 HA LYS A 21 -16.640 5.225 6.648 1.00 6.25 H new ATOM 0 HB2 LYS A 21 -18.331 5.046 8.432 1.00 6.80 H new ATOM 0 HB3 LYS A 21 -18.876 4.271 6.957 1.00 6.80 H new ATOM 0 HG2 LYS A 21 -18.231 2.054 7.897 1.00 7.47 H new ATOM 0 HG3 LYS A 21 -17.718 2.839 9.378 1.00 7.47 H new ATOM 0 HD2 LYS A 21 -20.540 3.000 8.245 1.00 8.15 H new ATOM 0 HD3 LYS A 21 -20.038 1.860 9.478 1.00 8.15 H new ATOM 0 HE2 LYS A 21 -19.956 4.895 9.712 1.00 8.86 H new ATOM 0 HE3 LYS A 21 -21.122 3.836 10.481 1.00 8.86 H new ATOM 0 HZ1 LYS A 21 -19.553 4.248 12.121 1.00 9.39 H new ATOM 0 HZ2 LYS A 21 -19.087 2.724 11.534 1.00 9.39 H new ATOM 0 HZ3 LYS A 21 -18.234 4.114 11.060 1.00 9.39 H new ATOM 303 N THR A 22 -16.074 4.922 9.451 1.00 7.34 N ATOM 304 CA THR A 22 -15.197 5.001 10.619 1.00 8.15 C ATOM 305 C THR A 22 -13.955 5.837 10.325 1.00 8.74 C ATOM 306 O THR A 22 -13.227 5.577 9.368 1.00 8.97 O ATOM 307 CB THR A 22 -14.764 3.602 11.103 1.00 8.62 C ATOM 308 OG1 THR A 22 -15.917 2.797 11.371 1.00 8.94 O ATOM 309 CG2 THR A 22 -13.910 3.701 12.359 1.00 8.92 C ATOM 0 H THR A 22 -16.971 5.393 9.571 1.00 7.34 H new ATOM 0 HA THR A 22 -15.774 5.482 11.408 1.00 8.15 H new ATOM 0 HB THR A 22 -14.171 3.139 10.314 1.00 8.62 H new ATOM 0 HG1 THR A 22 -15.633 1.910 11.676 1.00 8.94 H new ATOM 0 HG21 THR A 22 -13.618 2.701 12.680 1.00 8.92 H new ATOM 0 HG22 THR A 22 -13.017 4.289 12.147 1.00 8.92 H new ATOM 0 HG23 THR A 22 -14.483 4.183 13.151 1.00 8.92 H new ATOM 317 N GLU A 23 -13.718 6.844 11.163 1.00 9.21 N ATOM 318 CA GLU A 23 -12.565 7.722 11.002 1.00 9.98 C ATOM 319 C GLU A 23 -12.026 8.159 12.361 1.00 10.65 C ATOM 320 O GLU A 23 -12.726 8.080 13.370 1.00 10.93 O ATOM 321 CB GLU A 23 -12.940 8.951 10.169 1.00 10.36 C ATOM 322 CG GLU A 23 -14.064 9.783 10.768 1.00 10.79 C ATOM 323 CD GLU A 23 -15.410 9.088 10.699 1.00 11.31 C ATOM 324 OE1 GLU A 23 -15.966 8.978 9.587 1.00 11.67 O ATOM 325 OE2 GLU A 23 -15.908 8.655 11.760 1.00 11.54 O ATOM 0 H GLU A 23 -14.311 7.071 11.961 1.00 9.21 H new ATOM 0 HA GLU A 23 -11.786 7.166 10.480 1.00 9.98 H new ATOM 0 HB2 GLU A 23 -12.058 9.581 10.051 1.00 10.36 H new ATOM 0 HB3 GLU A 23 -13.234 8.625 9.171 1.00 10.36 H new ATOM 0 HG2 GLU A 23 -13.829 10.008 11.808 1.00 10.79 H new ATOM 0 HG3 GLU A 23 -14.125 10.736 10.242 1.00 10.79 H new ATOM 332 N GLY A 24 -10.778 8.619 12.378 1.00 11.11 N ATOM 333 CA GLY A 24 -10.169 9.059 13.620 1.00 11.93 C ATOM 334 C GLY A 24 -9.362 10.331 13.454 1.00 12.65 C ATOM 335 O GLY A 24 -8.245 10.303 12.938 1.00 12.86 O ATOM 0 H GLY A 24 -10.179 8.695 11.556 1.00 11.11 H new ATOM 0 HA2 GLY A 24 -10.948 9.222 14.365 1.00 11.93 H new ATOM 0 HA3 GLY A 24 -9.522 8.270 14.003 1.00 11.93 H new ATOM 339 N GLU A 25 -9.929 11.451 13.894 1.00 13.21 N ATOM 340 CA GLU A 25 -9.257 12.742 13.795 1.00 14.07 C ATOM 341 C GLU A 25 -9.132 13.395 15.168 1.00 14.60 C ATOM 342 O GLU A 25 -10.133 13.633 15.843 1.00 14.82 O ATOM 343 CB GLU A 25 -10.019 13.669 12.846 1.00 14.52 C ATOM 344 CG GLU A 25 -10.086 13.156 11.418 1.00 14.78 C ATOM 345 CD GLU A 25 -10.827 14.104 10.496 1.00 15.09 C ATOM 346 OE1 GLU A 25 -10.182 15.022 9.944 1.00 15.18 O ATOM 347 OE2 GLU A 25 -12.052 13.930 10.324 1.00 15.37 O ATOM 0 H GLU A 25 -10.854 11.490 14.323 1.00 13.21 H new ATOM 0 HA GLU A 25 -8.256 12.572 13.398 1.00 14.07 H new ATOM 0 HB2 GLU A 25 -11.033 13.806 13.222 1.00 14.52 H new ATOM 0 HB3 GLU A 25 -9.543 14.649 12.849 1.00 14.52 H new ATOM 0 HG2 GLU A 25 -9.074 13.005 11.042 1.00 14.78 H new ATOM 0 HG3 GLU A 25 -10.579 12.184 11.407 1.00 14.78 H new ATOM 354 N GLU A 26 -7.899 13.683 15.574 1.00 14.96 N ATOM 355 CA GLU A 26 -7.648 14.310 16.867 1.00 15.63 C ATOM 356 C GLU A 26 -7.373 15.802 16.707 1.00 16.22 C ATOM 357 O GLU A 26 -6.685 16.222 15.776 1.00 16.54 O ATOM 358 CB GLU A 26 -6.466 13.634 17.566 1.00 15.83 C ATOM 359 CG GLU A 26 -5.164 13.720 16.785 1.00 16.01 C ATOM 360 CD GLU A 26 -4.008 13.051 17.503 1.00 16.27 C ATOM 361 OE1 GLU A 26 -3.372 13.713 18.349 1.00 16.51 O ATOM 362 OE2 GLU A 26 -3.739 11.865 17.218 1.00 16.36 O ATOM 0 H GLU A 26 -7.059 13.492 15.027 1.00 14.96 H new ATOM 0 HA GLU A 26 -8.542 14.188 17.479 1.00 15.63 H new ATOM 0 HB2 GLU A 26 -6.323 14.092 18.545 1.00 15.83 H new ATOM 0 HB3 GLU A 26 -6.708 12.585 17.737 1.00 15.83 H new ATOM 0 HG2 GLU A 26 -5.299 13.254 15.809 1.00 16.01 H new ATOM 0 HG3 GLU A 26 -4.920 14.767 16.608 1.00 16.01 H new ATOM 369 N CYS A 27 -7.918 16.598 17.621 1.00 16.52 N ATOM 370 CA CYS A 27 -7.731 18.043 17.586 1.00 17.22 C ATOM 371 C CYS A 27 -6.847 18.501 18.743 1.00 17.60 C ATOM 372 O CYS A 27 -5.616 18.585 18.547 1.00 17.78 O ATOM 373 CB CYS A 27 -9.084 18.754 17.647 1.00 17.58 C ATOM 374 SG CYS A 27 -10.194 18.342 16.279 1.00 17.93 S ATOM 375 OXT CYS A 27 -7.391 18.768 19.834 1.00 17.86 O ATOM 0 H CYS A 27 -8.493 16.266 18.395 1.00 16.52 H new ATOM 0 HA CYS A 27 -7.237 18.301 16.649 1.00 17.22 H new ATOM 0 HB2 CYS A 27 -9.574 18.501 18.587 1.00 17.58 H new ATOM 0 HB3 CYS A 27 -8.917 19.831 17.654 1.00 17.58 H new ATOM 0 HG CYS A 27 -11.313 18.989 16.418 1.00 17.93 H new TER 381 CYS A 27 ATOM 382 N ILE B 504 6.403 10.438 -13.692 1.00 0.00 N ATOM 383 CA ILE B 504 7.761 10.964 -13.586 1.00 0.00 C ATOM 384 C ILE B 504 8.641 10.157 -12.644 1.00 0.00 C ATOM 385 O ILE B 504 9.749 10.580 -12.300 1.00 0.00 O ATOM 386 CB ILE B 504 7.692 12.434 -13.102 1.00 0.03 C ATOM 387 CG1 ILE B 504 8.935 13.213 -13.522 1.00 1.30 C ATOM 388 CG2 ILE B 504 7.509 12.501 -11.591 1.00 1.33 C ATOM 389 CD1 ILE B 504 9.081 13.363 -15.021 1.00 2.13 C ATOM 0 HA ILE B 504 8.216 10.897 -14.574 1.00 0.00 H new ATOM 0 HB ILE B 504 6.826 12.896 -13.576 1.00 0.03 H new ATOM 0 HG12 ILE B 504 8.903 14.203 -13.068 1.00 1.30 H new ATOM 0 HG13 ILE B 504 9.818 12.710 -13.128 1.00 1.30 H new ATOM 0 HG21 ILE B 504 7.463 13.543 -11.276 1.00 1.33 H new ATOM 0 HG22 ILE B 504 6.583 11.997 -11.314 1.00 1.33 H new ATOM 0 HG23 ILE B 504 8.350 12.010 -11.101 1.00 1.33 H new ATOM 0 HD11 ILE B 504 9.987 13.927 -15.244 1.00 2.13 H new ATOM 0 HD12 ILE B 504 9.146 12.377 -15.481 1.00 2.13 H new ATOM 0 HD13 ILE B 504 8.216 13.893 -15.420 1.00 2.13 H new ATOM 403 N SER B 505 8.155 8.984 -12.248 1.00 0.00 N ATOM 404 CA SER B 505 8.934 8.045 -11.436 1.00 0.00 C ATOM 405 C SER B 505 10.342 7.806 -12.001 1.00 0.00 C ATOM 406 O SER B 505 10.503 7.337 -13.131 1.00 0.00 O ATOM 407 CB SER B 505 8.194 6.713 -11.324 1.00 0.00 C ATOM 408 OG SER B 505 7.987 6.135 -12.602 1.00 1.29 O ATOM 0 H SER B 505 7.217 8.656 -12.477 1.00 0.00 H new ATOM 0 HA SER B 505 9.049 8.494 -10.450 1.00 0.00 H new ATOM 0 HB2 SER B 505 8.766 6.027 -10.700 1.00 0.00 H new ATOM 0 HB3 SER B 505 7.234 6.867 -10.831 1.00 0.00 H new ATOM 0 HG SER B 505 8.697 6.425 -13.211 1.00 1.29 H new ATOM 414 N GLY B 506 11.359 8.140 -11.218 1.00 0.00 N ATOM 415 CA GLY B 506 12.729 7.974 -11.663 1.00 0.00 C ATOM 416 C GLY B 506 13.331 9.211 -12.322 1.00 0.00 C ATOM 417 O GLY B 506 14.478 9.168 -12.766 1.00 0.00 O ATOM 0 H GLY B 506 11.259 8.525 -10.279 1.00 0.00 H new ATOM 0 HA2 GLY B 506 13.345 7.697 -10.808 1.00 0.00 H new ATOM 0 HA3 GLY B 506 12.771 7.144 -12.369 1.00 0.00 H new ATOM 421 N ALA B 507 12.573 10.304 -12.398 1.00 0.00 N ATOM 422 CA ALA B 507 13.104 11.547 -12.957 1.00 0.00 C ATOM 423 C ALA B 507 13.664 12.491 -11.868 1.00 0.00 C ATOM 424 O ALA B 507 14.277 13.522 -12.175 1.00 0.00 O ATOM 425 CB ALA B 507 12.056 12.259 -13.787 1.00 0.02 C ATOM 0 H ALA B 507 11.604 10.355 -12.085 1.00 0.00 H new ATOM 0 HA ALA B 507 13.936 11.270 -13.604 1.00 0.00 H new ATOM 0 HB1 ALA B 507 12.476 13.180 -14.191 1.00 0.02 H new ATOM 0 HB2 ALA B 507 11.741 11.613 -14.607 1.00 0.02 H new ATOM 0 HB3 ALA B 507 11.196 12.497 -13.161 1.00 0.02 H new ATOM 431 N MET B 508 13.447 12.126 -10.606 1.00 0.00 N ATOM 432 CA MET B 508 14.016 12.841 -9.465 1.00 0.00 C ATOM 433 C MET B 508 15.055 12.003 -8.718 1.00 0.00 C ATOM 434 O MET B 508 15.077 10.780 -8.819 1.00 0.00 O ATOM 435 CB MET B 508 12.907 13.269 -8.502 1.00 0.01 C ATOM 436 CG MET B 508 12.083 14.445 -9.001 1.00 0.47 C ATOM 437 SD MET B 508 11.104 14.045 -10.461 1.00 1.65 S ATOM 438 CE MET B 508 10.290 15.612 -10.762 1.00 2.21 C ATOM 0 H MET B 508 12.871 11.325 -10.345 1.00 0.00 H new ATOM 0 HA MET B 508 14.522 13.723 -9.858 1.00 0.00 H new ATOM 0 HB2 MET B 508 12.244 12.422 -8.326 1.00 0.01 H new ATOM 0 HB3 MET B 508 13.353 13.530 -7.542 1.00 0.01 H new ATOM 0 HG2 MET B 508 11.419 14.781 -8.205 1.00 0.47 H new ATOM 0 HG3 MET B 508 12.749 15.277 -9.232 1.00 0.47 H new ATOM 0 HE1 MET B 508 9.273 15.433 -11.111 1.00 2.21 H new ATOM 0 HE2 MET B 508 10.260 16.190 -9.838 1.00 2.21 H new ATOM 0 HE3 MET B 508 10.841 16.168 -11.521 1.00 2.21 H new ATOM 448 N HIS B 509 15.906 12.683 -7.950 1.00 0.00 N ATOM 449 CA HIS B 509 16.892 12.033 -7.079 1.00 0.00 C ATOM 450 C HIS B 509 16.164 11.350 -5.920 1.00 0.00 C ATOM 451 O HIS B 509 15.267 11.946 -5.318 1.00 0.00 O ATOM 452 CB HIS B 509 17.901 13.053 -6.545 1.00 0.00 C ATOM 453 CG HIS B 509 18.651 13.774 -7.621 1.00 1.05 C ATOM 454 ND1 HIS B 509 19.757 13.246 -8.250 1.00 2.01 N ATOM 455 CD2 HIS B 509 18.445 14.989 -8.183 1.00 1.87 C ATOM 456 CE1 HIS B 509 20.203 14.104 -9.150 1.00 2.67 C ATOM 457 NE2 HIS B 509 19.424 15.170 -9.130 1.00 2.55 N ATOM 0 H HIS B 509 15.933 13.702 -7.912 1.00 0.00 H new ATOM 0 HA HIS B 509 17.441 11.288 -7.655 1.00 0.00 H new ATOM 0 HB2 HIS B 509 17.376 13.783 -5.929 1.00 0.00 H new ATOM 0 HB3 HIS B 509 18.613 12.542 -5.897 1.00 0.00 H new ATOM 0 HD2 HIS B 509 17.658 15.685 -7.933 1.00 1.87 H new ATOM 0 HE1 HIS B 509 21.059 13.958 -9.793 1.00 2.67 H new ATOM 0 HE2 HIS B 509 19.532 15.994 -9.721 1.00 2.55 H new ATOM 466 N GLU B 510 16.540 10.104 -5.622 1.00 0.00 N ATOM 467 CA GLU B 510 15.835 9.284 -4.638 1.00 0.00 C ATOM 468 C GLU B 510 15.424 10.057 -3.386 1.00 0.00 C ATOM 469 O GLU B 510 14.347 9.831 -2.815 1.00 0.00 O ATOM 470 CB GLU B 510 16.707 8.094 -4.234 1.00 0.01 C ATOM 471 CG GLU B 510 17.101 7.199 -5.398 1.00 1.38 C ATOM 472 CD GLU B 510 17.981 6.041 -4.969 1.00 2.04 C ATOM 473 OE1 GLU B 510 19.212 6.235 -4.873 1.00 2.66 O ATOM 474 OE2 GLU B 510 17.441 4.940 -4.731 1.00 2.52 O ATOM 0 H GLU B 510 17.338 9.638 -6.054 1.00 0.00 H new ATOM 0 HA GLU B 510 14.917 8.946 -5.119 1.00 0.00 H new ATOM 0 HB2 GLU B 510 17.611 8.465 -3.751 1.00 0.01 H new ATOM 0 HB3 GLU B 510 16.172 7.498 -3.494 1.00 0.01 H new ATOM 0 HG2 GLU B 510 16.201 6.810 -5.874 1.00 1.38 H new ATOM 0 HG3 GLU B 510 17.626 7.792 -6.147 1.00 1.38 H new ATOM 481 N GLU B 511 16.275 10.994 -2.988 1.00 0.00 N ATOM 482 CA GLU B 511 16.077 11.778 -1.770 1.00 0.00 C ATOM 483 C GLU B 511 14.973 12.819 -1.931 1.00 0.00 C ATOM 484 O GLU B 511 14.161 13.020 -1.026 1.00 0.00 O ATOM 485 CB GLU B 511 17.381 12.467 -1.370 1.00 0.01 C ATOM 486 CG GLU B 511 18.481 11.501 -0.961 1.00 1.31 C ATOM 487 CD GLU B 511 18.099 10.654 0.237 1.00 1.88 C ATOM 488 OE1 GLU B 511 18.277 11.126 1.379 1.00 2.44 O ATOM 489 OE2 GLU B 511 17.623 9.518 0.033 1.00 2.41 O ATOM 0 H GLU B 511 17.124 11.234 -3.500 1.00 0.00 H new ATOM 0 HA GLU B 511 15.770 11.086 -0.986 1.00 0.00 H new ATOM 0 HB2 GLU B 511 17.733 13.072 -2.205 1.00 0.01 H new ATOM 0 HB3 GLU B 511 17.183 13.149 -0.543 1.00 0.01 H new ATOM 0 HG2 GLU B 511 18.717 10.849 -1.802 1.00 1.31 H new ATOM 0 HG3 GLU B 511 19.386 12.063 -0.730 1.00 1.31 H new ATOM 496 N ASP B 512 14.948 13.487 -3.079 1.00 0.00 N ATOM 497 CA ASP B 512 13.830 14.365 -3.416 1.00 0.00 C ATOM 498 C ASP B 512 12.545 13.569 -3.577 1.00 0.00 C ATOM 499 O ASP B 512 11.475 13.995 -3.146 1.00 0.00 O ATOM 500 CB ASP B 512 14.133 15.132 -4.705 1.00 0.00 C ATOM 501 CG ASP B 512 13.000 16.054 -5.112 1.00 1.11 C ATOM 502 OD1 ASP B 512 12.985 17.215 -4.652 1.00 1.03 O ATOM 503 OD2 ASP B 512 12.128 15.615 -5.891 1.00 2.08 O ATOM 0 H ASP B 512 15.681 13.440 -3.787 1.00 0.00 H new ATOM 0 HA ASP B 512 13.696 15.074 -2.599 1.00 0.00 H new ATOM 0 HB2 ASP B 512 15.043 15.717 -4.571 1.00 0.00 H new ATOM 0 HB3 ASP B 512 14.326 14.422 -5.509 1.00 0.00 H new ATOM 508 N GLU B 513 12.672 12.403 -4.198 1.00 0.00 N ATOM 509 CA GLU B 513 11.567 11.494 -4.387 1.00 0.00 C ATOM 510 C GLU B 513 10.878 11.181 -3.058 1.00 0.00 C ATOM 511 O GLU B 513 9.658 11.244 -2.951 1.00 0.00 O ATOM 512 CB GLU B 513 12.052 10.197 -5.036 1.00 0.01 C ATOM 513 CG GLU B 513 12.438 10.354 -6.496 1.00 1.13 C ATOM 514 CD GLU B 513 11.230 10.446 -7.408 1.00 1.38 C ATOM 515 OE1 GLU B 513 10.531 11.481 -7.366 1.00 1.92 O ATOM 516 OE2 GLU B 513 10.983 9.483 -8.165 1.00 1.88 O ATOM 0 H GLU B 513 13.554 12.066 -4.584 1.00 0.00 H new ATOM 0 HA GLU B 513 10.845 11.977 -5.045 1.00 0.00 H new ATOM 0 HB2 GLU B 513 12.911 9.822 -4.480 1.00 0.01 H new ATOM 0 HB3 GLU B 513 11.267 9.445 -4.955 1.00 0.01 H new ATOM 0 HG2 GLU B 513 13.047 11.250 -6.613 1.00 1.13 H new ATOM 0 HG3 GLU B 513 13.055 9.508 -6.799 1.00 1.13 H new ATOM 523 N LYS B 514 11.665 10.834 -2.052 1.00 0.00 N ATOM 524 CA LYS B 514 11.135 10.513 -0.728 1.00 0.00 C ATOM 525 C LYS B 514 10.272 11.633 -0.178 1.00 0.00 C ATOM 526 O LYS B 514 9.095 11.407 0.146 1.00 0.00 O ATOM 527 CB LYS B 514 12.284 10.220 0.237 1.00 0.03 C ATOM 528 CG LYS B 514 13.055 8.953 -0.100 1.00 1.17 C ATOM 529 CD LYS B 514 14.399 8.899 0.612 1.00 1.23 C ATOM 530 CE LYS B 514 14.256 8.495 2.074 1.00 2.02 C ATOM 531 NZ LYS B 514 13.511 9.509 2.871 1.00 2.73 N ATOM 0 H LYS B 514 12.680 10.766 -2.124 1.00 0.00 H new ATOM 0 HA LYS B 514 10.506 9.629 -0.830 1.00 0.00 H new ATOM 0 HB2 LYS B 514 12.972 11.065 0.236 1.00 0.03 H new ATOM 0 HB3 LYS B 514 11.885 10.135 1.248 1.00 0.03 H new ATOM 0 HG2 LYS B 514 12.462 8.082 0.179 1.00 1.17 H new ATOM 0 HG3 LYS B 514 13.213 8.900 -1.177 1.00 1.17 H new ATOM 0 HD2 LYS B 514 15.051 8.190 0.102 1.00 1.23 H new ATOM 0 HD3 LYS B 514 14.881 9.875 0.551 1.00 1.23 H new ATOM 0 HE2 LYS B 514 13.739 7.537 2.135 1.00 2.02 H new ATOM 0 HE3 LYS B 514 15.246 8.351 2.507 1.00 2.02 H new ATOM 0 HZ1 LYS B 514 13.882 9.528 3.842 1.00 2.73 H new ATOM 0 HZ2 LYS B 514 13.629 10.447 2.437 1.00 2.73 H new ATOM 0 HZ3 LYS B 514 12.501 9.261 2.891 1.00 2.73 H new ATOM 545 N ARG B 515 10.864 12.826 -0.071 1.00 0.00 N ATOM 546 CA ARG B 515 10.195 14.011 0.492 1.00 0.00 C ATOM 547 C ARG B 515 8.922 14.317 -0.249 1.00 0.00 C ATOM 548 O ARG B 515 7.935 14.768 0.327 1.00 0.00 O ATOM 549 CB ARG B 515 11.133 15.218 0.445 1.00 0.02 C ATOM 550 CG ARG B 515 10.548 16.472 1.075 1.00 1.32 C ATOM 551 CD ARG B 515 11.506 17.645 0.966 1.00 1.65 C ATOM 552 NE ARG B 515 11.787 17.994 -0.424 1.00 2.20 N ATOM 553 CZ ARG B 515 12.815 18.747 -0.803 1.00 2.85 C ATOM 554 NH1 ARG B 515 13.672 19.209 0.099 1.00 3.02 N ATOM 555 NH2 ARG B 515 12.992 19.033 -2.086 1.00 3.75 N ATOM 0 H ARG B 515 11.823 13.002 -0.372 1.00 0.00 H new ATOM 0 HA ARG B 515 9.941 13.796 1.530 1.00 0.00 H new ATOM 0 HB2 ARG B 515 12.062 14.965 0.956 1.00 0.02 H new ATOM 0 HB3 ARG B 515 11.388 15.429 -0.594 1.00 0.02 H new ATOM 0 HG2 ARG B 515 9.607 16.722 0.585 1.00 1.32 H new ATOM 0 HG3 ARG B 515 10.321 16.282 2.124 1.00 1.32 H new ATOM 0 HD2 ARG B 515 11.082 18.509 1.478 1.00 1.65 H new ATOM 0 HD3 ARG B 515 12.439 17.400 1.474 1.00 1.65 H new ATOM 0 HE ARG B 515 11.159 17.640 -1.145 1.00 2.20 H new ATOM 0 HH11 ARG B 515 13.543 18.987 1.086 1.00 3.02 H new ATOM 0 HH12 ARG B 515 14.460 19.786 -0.195 1.00 3.02 H new ATOM 0 HH21 ARG B 515 12.339 18.675 -2.783 1.00 3.75 H new ATOM 0 HH22 ARG B 515 13.781 19.611 -2.376 1.00 3.75 H new ATOM 569 N PHE B 516 8.959 14.084 -1.550 1.00 0.00 N ATOM 570 CA PHE B 516 7.870 14.458 -2.417 1.00 0.00 C ATOM 571 C PHE B 516 6.700 13.479 -2.263 1.00 0.00 C ATOM 572 O PHE B 516 5.543 13.888 -2.145 1.00 0.00 O ATOM 573 CB PHE B 516 8.338 14.496 -3.873 1.00 0.01 C ATOM 574 CG PHE B 516 7.315 15.055 -4.822 1.00 0.66 C ATOM 575 CD1 PHE B 516 7.180 16.424 -4.987 1.00 1.12 C ATOM 576 CD2 PHE B 516 6.489 14.212 -5.549 1.00 1.15 C ATOM 577 CE1 PHE B 516 6.243 16.942 -5.860 1.00 1.67 C ATOM 578 CE2 PHE B 516 5.549 14.725 -6.422 1.00 1.70 C ATOM 579 CZ PHE B 516 5.426 16.092 -6.578 1.00 1.89 C ATOM 0 H PHE B 516 9.741 13.634 -2.026 1.00 0.00 H new ATOM 0 HA PHE B 516 7.530 15.454 -2.132 1.00 0.00 H new ATOM 0 HB2 PHE B 516 9.246 15.095 -3.938 1.00 0.01 H new ATOM 0 HB3 PHE B 516 8.599 13.486 -4.188 1.00 0.01 H new ATOM 0 HD1 PHE B 516 7.815 17.094 -4.426 1.00 1.12 H new ATOM 0 HD2 PHE B 516 6.581 13.142 -5.432 1.00 1.15 H new ATOM 0 HE1 PHE B 516 6.150 18.011 -5.981 1.00 1.67 H new ATOM 0 HE2 PHE B 516 4.911 14.058 -6.982 1.00 1.70 H new ATOM 0 HZ PHE B 516 4.692 16.495 -7.260 1.00 1.89 H new ATOM 589 N LEU B 517 7.023 12.191 -2.257 1.00 0.00 N ATOM 590 CA LEU B 517 6.045 11.145 -2.060 1.00 0.00 C ATOM 591 C LEU B 517 5.450 11.159 -0.668 1.00 0.00 C ATOM 592 O LEU B 517 4.298 10.791 -0.495 1.00 0.00 O ATOM 593 CB LEU B 517 6.668 9.778 -2.347 1.00 0.02 C ATOM 594 CG LEU B 517 5.665 8.661 -2.642 1.00 1.00 C ATOM 595 CD1 LEU B 517 4.979 8.896 -3.980 1.00 1.77 C ATOM 596 CD2 LEU B 517 6.359 7.309 -2.632 1.00 1.90 C ATOM 0 H LEU B 517 7.975 11.849 -2.390 1.00 0.00 H new ATOM 0 HA LEU B 517 5.232 11.334 -2.761 1.00 0.00 H new ATOM 0 HB2 LEU B 517 7.343 9.874 -3.198 1.00 0.02 H new ATOM 0 HB3 LEU B 517 7.275 9.485 -1.490 1.00 0.02 H new ATOM 0 HG LEU B 517 4.905 8.667 -1.861 1.00 1.00 H new ATOM 0 HD11 LEU B 517 4.270 8.091 -4.172 1.00 1.77 H new ATOM 0 HD12 LEU B 517 4.449 9.848 -3.955 1.00 1.77 H new ATOM 0 HD13 LEU B 517 5.726 8.917 -4.773 1.00 1.77 H new ATOM 0 HD21 LEU B 517 5.632 6.525 -2.843 1.00 1.90 H new ATOM 0 HD22 LEU B 517 7.139 7.295 -3.393 1.00 1.90 H new ATOM 0 HD23 LEU B 517 6.804 7.136 -1.652 1.00 1.90 H new ATOM 608 N VAL B 518 6.218 11.560 0.339 1.00 0.00 N ATOM 609 CA VAL B 518 5.646 11.607 1.673 1.00 0.00 C ATOM 610 C VAL B 518 4.589 12.697 1.722 1.00 0.00 C ATOM 611 O VAL B 518 3.569 12.541 2.392 1.00 0.00 O ATOM 612 CB VAL B 518 6.719 11.878 2.749 1.00 0.03 C ATOM 613 CG1 VAL B 518 6.074 12.125 4.106 1.00 1.40 C ATOM 614 CG2 VAL B 518 7.700 10.719 2.830 1.00 1.40 C ATOM 0 H VAL B 518 7.194 11.845 0.263 1.00 0.00 H new ATOM 0 HA VAL B 518 5.202 10.635 1.887 1.00 0.00 H new ATOM 0 HB VAL B 518 7.267 12.776 2.463 1.00 0.03 H new ATOM 0 HG11 VAL B 518 6.849 12.314 4.848 1.00 1.40 H new ATOM 0 HG12 VAL B 518 5.414 12.990 4.043 1.00 1.40 H new ATOM 0 HG13 VAL B 518 5.496 11.248 4.399 1.00 1.40 H new ATOM 0 HG21 VAL B 518 8.449 10.929 3.594 1.00 1.40 H new ATOM 0 HG22 VAL B 518 7.164 9.806 3.088 1.00 1.40 H new ATOM 0 HG23 VAL B 518 8.192 10.590 1.866 1.00 1.40 H new ATOM 624 N THR B 519 4.830 13.783 0.992 1.00 0.00 N ATOM 625 CA THR B 519 3.884 14.893 0.921 1.00 0.00 C ATOM 626 C THR B 519 2.639 14.551 0.080 1.00 0.00 C ATOM 627 O THR B 519 1.527 14.986 0.376 1.00 0.00 O ATOM 628 CB THR B 519 4.536 16.176 0.367 1.00 0.02 C ATOM 629 OG1 THR B 519 5.063 15.944 -0.941 1.00 1.10 O ATOM 630 CG2 THR B 519 5.646 16.658 1.289 1.00 1.18 C ATOM 0 H THR B 519 5.676 13.918 0.439 1.00 0.00 H new ATOM 0 HA THR B 519 3.569 15.073 1.949 1.00 0.00 H new ATOM 0 HB THR B 519 3.767 16.947 0.310 1.00 0.02 H new ATOM 0 HG1 THR B 519 5.052 14.983 -1.132 1.00 1.10 H new ATOM 0 HG21 THR B 519 6.092 17.564 0.879 1.00 1.18 H new ATOM 0 HG22 THR B 519 5.233 16.871 2.275 1.00 1.18 H new ATOM 0 HG23 THR B 519 6.409 15.885 1.375 1.00 1.18 H new ATOM 638 N VAL B 520 2.837 13.786 -0.984 1.00 0.00 N ATOM 639 CA VAL B 520 1.761 13.500 -1.912 1.00 0.00 C ATOM 640 C VAL B 520 0.731 12.563 -1.304 1.00 0.00 C ATOM 641 O VAL B 520 -0.475 12.779 -1.459 1.00 0.00 O ATOM 642 CB VAL B 520 2.295 12.891 -3.226 1.00 0.03 C ATOM 643 CG1 VAL B 520 1.151 12.404 -4.105 1.00 1.21 C ATOM 644 CG2 VAL B 520 3.145 13.907 -3.975 1.00 1.22 C ATOM 0 H VAL B 520 3.730 13.355 -1.223 1.00 0.00 H new ATOM 0 HA VAL B 520 1.280 14.453 -2.133 1.00 0.00 H new ATOM 0 HB VAL B 520 2.918 12.033 -2.974 1.00 0.03 H new ATOM 0 HG11 VAL B 520 1.554 11.979 -5.024 1.00 1.21 H new ATOM 0 HG12 VAL B 520 0.582 11.642 -3.572 1.00 1.21 H new ATOM 0 HG13 VAL B 520 0.497 13.241 -4.348 1.00 1.21 H new ATOM 0 HG21 VAL B 520 3.514 13.462 -4.899 1.00 1.22 H new ATOM 0 HG22 VAL B 520 2.541 14.784 -4.210 1.00 1.22 H new ATOM 0 HG23 VAL B 520 3.989 14.204 -3.353 1.00 1.22 H new ATOM 654 N ILE B 521 1.209 11.535 -0.601 1.00 0.00 N ATOM 655 CA ILE B 521 0.331 10.515 -0.063 1.00 0.00 C ATOM 656 C ILE B 521 -0.192 10.778 1.352 1.00 0.00 C ATOM 657 O ILE B 521 -1.278 10.309 1.712 1.00 0.00 O ATOM 658 CB ILE B 521 1.012 9.133 -0.088 1.00 0.02 C ATOM 659 CG1 ILE B 521 -0.026 8.028 0.126 1.00 1.41 C ATOM 660 CG2 ILE B 521 2.105 9.054 0.968 1.00 1.40 C ATOM 661 CD1 ILE B 521 0.507 6.636 -0.130 1.00 1.98 C ATOM 0 H ILE B 521 2.198 11.394 -0.395 1.00 0.00 H new ATOM 0 HA ILE B 521 -0.537 10.541 -0.722 1.00 0.00 H new ATOM 0 HB ILE B 521 1.474 8.991 -1.065 1.00 0.02 H new ATOM 0 HG12 ILE B 521 -0.397 8.083 1.150 1.00 1.41 H new ATOM 0 HG13 ILE B 521 -0.877 8.208 -0.531 1.00 1.41 H new ATOM 0 HG21 ILE B 521 2.573 8.070 0.934 1.00 1.40 H new ATOM 0 HG22 ILE B 521 2.855 9.820 0.773 1.00 1.40 H new ATOM 0 HG23 ILE B 521 1.670 9.215 1.954 1.00 1.40 H new ATOM 0 HD11 ILE B 521 -0.284 5.906 0.042 1.00 1.98 H new ATOM 0 HD12 ILE B 521 0.851 6.562 -1.162 1.00 1.98 H new ATOM 0 HD13 ILE B 521 1.339 6.435 0.545 1.00 1.98 H new ATOM 673 N LYS B 522 0.554 11.556 2.140 1.00 0.00 N ATOM 674 CA LYS B 522 0.086 11.986 3.460 1.00 0.00 C ATOM 675 C LYS B 522 -1.188 12.800 3.282 1.00 0.00 C ATOM 676 O LYS B 522 -2.117 12.738 4.095 1.00 0.00 O ATOM 677 CB LYS B 522 1.158 12.815 4.174 1.00 0.01 C ATOM 678 CG LYS B 522 1.091 12.744 5.695 1.00 1.10 C ATOM 679 CD LYS B 522 -0.092 13.523 6.255 1.00 1.37 C ATOM 680 CE LYS B 522 0.036 15.015 5.987 1.00 2.02 C ATOM 681 NZ LYS B 522 -1.158 15.768 6.463 1.00 2.57 N ATOM 0 H LYS B 522 1.481 11.900 1.889 1.00 0.00 H new ATOM 0 HA LYS B 522 -0.118 11.111 4.077 1.00 0.00 H new ATOM 0 HB2 LYS B 522 2.141 12.475 3.848 1.00 0.01 H new ATOM 0 HB3 LYS B 522 1.062 13.856 3.865 1.00 0.01 H new ATOM 0 HG2 LYS B 522 1.018 11.702 6.006 1.00 1.10 H new ATOM 0 HG3 LYS B 522 2.016 13.138 6.117 1.00 1.10 H new ATOM 0 HD2 LYS B 522 -1.015 13.152 5.810 1.00 1.37 H new ATOM 0 HD3 LYS B 522 -0.164 13.352 7.329 1.00 1.37 H new ATOM 0 HE2 LYS B 522 0.928 15.398 6.482 1.00 2.02 H new ATOM 0 HE3 LYS B 522 0.168 15.182 4.918 1.00 2.02 H new ATOM 0 HZ1 LYS B 522 -1.032 16.781 6.262 1.00 2.57 H new ATOM 0 HZ2 LYS B 522 -2.006 15.420 5.972 1.00 2.57 H new ATOM 0 HZ3 LYS B 522 -1.270 15.629 7.488 1.00 2.57 H new ATOM 695 N ASP B 523 -1.243 13.556 2.198 1.00 0.00 N ATOM 696 CA ASP B 523 -2.404 14.404 1.966 1.00 0.00 C ATOM 697 C ASP B 523 -3.521 13.764 1.119 1.00 0.00 C ATOM 698 O ASP B 523 -4.666 14.192 1.201 1.00 0.00 O ATOM 699 CB ASP B 523 -1.953 15.706 1.301 1.00 0.01 C ATOM 700 CG ASP B 523 -3.099 16.672 1.074 1.00 1.28 C ATOM 701 OD1 ASP B 523 -3.381 17.484 1.981 1.00 1.70 O ATOM 702 OD2 ASP B 523 -3.717 16.615 -0.011 1.00 2.17 O ATOM 0 H ASP B 523 -0.519 13.602 1.481 1.00 0.00 H new ATOM 0 HA ASP B 523 -2.841 14.579 2.949 1.00 0.00 H new ATOM 0 HB2 ASP B 523 -1.197 16.185 1.923 1.00 0.01 H new ATOM 0 HB3 ASP B 523 -1.481 15.477 0.346 1.00 0.01 H new ATOM 707 N LEU B 524 -3.192 12.736 0.329 1.00 0.00 N ATOM 708 CA LEU B 524 -4.218 11.915 -0.325 1.00 0.00 C ATOM 709 C LEU B 524 -4.931 11.068 0.725 1.00 0.00 C ATOM 710 O LEU B 524 -6.147 11.005 0.749 1.00 0.00 O ATOM 711 CB LEU B 524 -3.591 11.022 -1.399 1.00 0.04 C ATOM 712 CG LEU B 524 -3.165 11.746 -2.679 1.00 0.63 C ATOM 713 CD1 LEU B 524 -2.371 10.812 -3.579 1.00 1.48 C ATOM 714 CD2 LEU B 524 -4.380 12.286 -3.418 1.00 1.36 C ATOM 0 H LEU B 524 -2.233 12.454 0.128 1.00 0.00 H new ATOM 0 HA LEU B 524 -4.942 12.568 -0.813 1.00 0.00 H new ATOM 0 HB2 LEU B 524 -2.719 10.526 -0.973 1.00 0.04 H new ATOM 0 HB3 LEU B 524 -4.305 10.241 -1.662 1.00 0.04 H new ATOM 0 HG LEU B 524 -2.528 12.586 -2.402 1.00 0.63 H new ATOM 0 HD11 LEU B 524 -2.076 11.343 -4.484 1.00 1.48 H new ATOM 0 HD12 LEU B 524 -1.480 10.470 -3.053 1.00 1.48 H new ATOM 0 HD13 LEU B 524 -2.987 9.953 -3.846 1.00 1.48 H new ATOM 0 HD21 LEU B 524 -4.057 12.797 -4.325 1.00 1.36 H new ATOM 0 HD22 LEU B 524 -5.041 11.461 -3.683 1.00 1.36 H new ATOM 0 HD23 LEU B 524 -4.914 12.987 -2.777 1.00 1.36 H new ATOM 726 N LEU B 525 -4.165 10.453 1.615 1.00 0.00 N ATOM 727 CA LEU B 525 -4.709 9.802 2.782 1.00 0.00 C ATOM 728 C LEU B 525 -5.630 10.756 3.565 1.00 0.00 C ATOM 729 O LEU B 525 -6.736 10.377 3.995 1.00 0.00 O ATOM 730 CB LEU B 525 -3.584 9.312 3.694 1.00 0.02 C ATOM 731 CG LEU B 525 -4.049 8.510 4.908 1.00 1.09 C ATOM 732 CD1 LEU B 525 -3.515 7.088 4.844 1.00 1.76 C ATOM 733 CD2 LEU B 525 -3.612 9.190 6.195 1.00 1.95 C ATOM 0 H LEU B 525 -3.149 10.395 1.542 1.00 0.00 H new ATOM 0 HA LEU B 525 -5.295 8.947 2.445 1.00 0.00 H new ATOM 0 HB2 LEU B 525 -2.902 8.696 3.108 1.00 0.02 H new ATOM 0 HB3 LEU B 525 -3.015 10.174 4.042 1.00 0.02 H new ATOM 0 HG LEU B 525 -5.138 8.467 4.896 1.00 1.09 H new ATOM 0 HD11 LEU B 525 -3.856 6.532 5.717 1.00 1.76 H new ATOM 0 HD12 LEU B 525 -3.880 6.603 3.939 1.00 1.76 H new ATOM 0 HD13 LEU B 525 -2.425 7.109 4.830 1.00 1.76 H new ATOM 0 HD21 LEU B 525 -3.952 8.605 7.049 1.00 1.95 H new ATOM 0 HD22 LEU B 525 -2.525 9.265 6.216 1.00 1.95 H new ATOM 0 HD23 LEU B 525 -4.045 10.189 6.244 1.00 1.95 H new ATOM 745 N GLY B 526 -5.168 11.989 3.758 1.00 0.00 N ATOM 746 CA GLY B 526 -5.938 12.958 4.507 1.00 0.00 C ATOM 747 C GLY B 526 -7.212 13.327 3.769 1.00 0.00 C ATOM 748 O GLY B 526 -8.279 13.479 4.378 1.00 0.00 O ATOM 0 H GLY B 526 -4.273 12.331 3.407 1.00 0.00 H new ATOM 0 HA2 GLY B 526 -6.186 12.551 5.487 1.00 0.00 H new ATOM 0 HA3 GLY B 526 -5.339 13.853 4.675 1.00 0.00 H new ATOM 752 N LEU B 527 -7.095 13.476 2.453 1.00 0.00 N ATOM 753 CA LEU B 527 -8.249 13.740 1.597 1.00 0.00 C ATOM 754 C LEU B 527 -9.243 12.570 1.619 1.00 0.00 C ATOM 755 O LEU B 527 -10.463 12.768 1.560 1.00 0.00 O ATOM 756 CB LEU B 527 -7.799 14.010 0.159 1.00 0.01 C ATOM 757 CG LEU B 527 -7.227 15.407 -0.094 1.00 0.98 C ATOM 758 CD1 LEU B 527 -6.671 15.504 -1.505 1.00 1.57 C ATOM 759 CD2 LEU B 527 -8.292 16.471 0.128 1.00 1.67 C ATOM 0 H LEU B 527 -6.208 13.418 1.953 1.00 0.00 H new ATOM 0 HA LEU B 527 -8.753 14.624 1.988 1.00 0.00 H new ATOM 0 HB2 LEU B 527 -7.045 13.271 -0.113 1.00 0.01 H new ATOM 0 HB3 LEU B 527 -8.649 13.857 -0.505 1.00 0.01 H new ATOM 0 HG LEU B 527 -6.416 15.579 0.614 1.00 0.98 H new ATOM 0 HD11 LEU B 527 -6.268 16.503 -1.669 1.00 1.57 H new ATOM 0 HD12 LEU B 527 -5.878 14.767 -1.635 1.00 1.57 H new ATOM 0 HD13 LEU B 527 -7.467 15.311 -2.224 1.00 1.57 H new ATOM 0 HD21 LEU B 527 -7.865 17.457 -0.057 1.00 1.67 H new ATOM 0 HD22 LEU B 527 -9.124 16.301 -0.556 1.00 1.67 H new ATOM 0 HD23 LEU B 527 -8.651 16.418 1.156 1.00 1.67 H new ATOM 771 N CYS B 528 -8.711 11.353 1.696 1.00 0.00 N ATOM 772 CA CYS B 528 -9.542 10.170 1.622 1.00 0.00 C ATOM 773 C CYS B 528 -10.504 10.117 2.796 1.00 0.00 C ATOM 774 O CYS B 528 -11.700 9.879 2.624 1.00 0.00 O ATOM 775 CB CYS B 528 -8.678 8.910 1.604 1.00 0.04 C ATOM 776 SG CYS B 528 -9.628 7.372 1.536 1.00 0.59 S ATOM 0 H CYS B 528 -7.714 11.168 1.809 1.00 0.00 H new ATOM 0 HA CYS B 528 -10.118 10.218 0.698 1.00 0.00 H new ATOM 0 HB2 CYS B 528 -8.010 8.951 0.744 1.00 0.04 H new ATOM 0 HB3 CYS B 528 -8.050 8.899 2.495 1.00 0.04 H new ATOM 0 HG CYS B 528 -10.850 7.600 1.916 1.00 0.59 H new ATOM 782 N GLU B 529 -9.963 10.339 3.988 1.00 0.00 N ATOM 783 CA GLU B 529 -10.766 10.451 5.194 1.00 0.00 C ATOM 784 C GLU B 529 -11.754 11.634 5.138 1.00 0.00 C ATOM 785 O GLU B 529 -12.832 11.586 5.741 1.00 0.00 O ATOM 786 CB GLU B 529 -9.859 10.595 6.417 1.00 0.02 C ATOM 787 CG GLU B 529 -8.985 9.377 6.674 1.00 1.29 C ATOM 788 CD GLU B 529 -9.794 8.126 6.952 1.00 1.85 C ATOM 789 OE1 GLU B 529 -10.165 7.908 8.125 1.00 2.25 O ATOM 790 OE2 GLU B 529 -10.058 7.364 5.997 1.00 2.50 O ATOM 0 H GLU B 529 -8.960 10.446 4.143 1.00 0.00 H new ATOM 0 HA GLU B 529 -11.355 9.537 5.272 1.00 0.00 H new ATOM 0 HB2 GLU B 529 -9.221 11.468 6.285 1.00 0.02 H new ATOM 0 HB3 GLU B 529 -10.476 10.781 7.296 1.00 0.02 H new ATOM 0 HG2 GLU B 529 -8.344 9.206 5.809 1.00 1.29 H new ATOM 0 HG3 GLU B 529 -8.330 9.577 7.522 1.00 1.29 H new ATOM 797 N GLN B 530 -11.384 12.683 4.408 1.00 0.00 N ATOM 798 CA GLN B 530 -12.202 13.892 4.306 1.00 0.00 C ATOM 799 C GLN B 530 -13.468 13.698 3.474 1.00 0.00 C ATOM 800 O GLN B 530 -14.574 13.994 3.922 1.00 0.00 O ATOM 801 CB GLN B 530 -11.377 15.037 3.714 1.00 0.01 C ATOM 802 CG GLN B 530 -12.123 16.363 3.673 1.00 0.99 C ATOM 803 CD GLN B 530 -11.333 17.457 2.983 1.00 1.50 C ATOM 804 OE1 GLN B 530 -10.561 18.177 3.616 1.00 2.15 O ATOM 805 NE2 GLN B 530 -11.527 17.592 1.675 1.00 2.24 N ATOM 0 H GLN B 530 -10.516 12.721 3.874 1.00 0.00 H new ATOM 0 HA GLN B 530 -12.519 14.133 5.321 1.00 0.00 H new ATOM 0 HB2 GLN B 530 -10.466 15.159 4.300 1.00 0.01 H new ATOM 0 HB3 GLN B 530 -11.071 14.769 2.703 1.00 0.01 H new ATOM 0 HG2 GLN B 530 -13.073 16.225 3.156 1.00 0.99 H new ATOM 0 HG3 GLN B 530 -12.356 16.676 4.691 1.00 0.99 H new ATOM 0 HE21 GLN B 530 -12.176 16.973 1.189 1.00 2.24 H new ATOM 0 HE22 GLN B 530 -11.026 18.314 1.157 1.00 2.24 H new ATOM 814 N LYS B 531 -13.291 13.227 2.247 1.00 0.00 N ATOM 815 CA LYS B 531 -14.402 13.046 1.332 1.00 0.00 C ATOM 816 C LYS B 531 -15.316 11.917 1.796 1.00 0.00 C ATOM 817 O LYS B 531 -14.849 10.865 2.245 1.00 0.00 O ATOM 818 CB LYS B 531 -13.886 12.750 -0.078 1.00 0.03 C ATOM 819 CG LYS B 531 -12.952 13.819 -0.629 1.00 0.77 C ATOM 820 CD LYS B 531 -13.651 15.162 -0.782 1.00 1.35 C ATOM 821 CE LYS B 531 -14.776 15.099 -1.802 1.00 1.81 C ATOM 822 NZ LYS B 531 -14.283 14.701 -3.149 1.00 2.28 N ATOM 0 H LYS B 531 -12.383 12.963 1.864 1.00 0.00 H new ATOM 0 HA LYS B 531 -14.978 13.971 1.316 1.00 0.00 H new ATOM 0 HB2 LYS B 531 -13.363 11.794 -0.070 1.00 0.03 H new ATOM 0 HB3 LYS B 531 -14.737 12.643 -0.751 1.00 0.03 H new ATOM 0 HG2 LYS B 531 -12.095 13.930 0.036 1.00 0.77 H new ATOM 0 HG3 LYS B 531 -12.565 13.499 -1.597 1.00 0.77 H new ATOM 0 HD2 LYS B 531 -14.051 15.475 0.182 1.00 1.35 H new ATOM 0 HD3 LYS B 531 -12.926 15.917 -1.087 1.00 1.35 H new ATOM 0 HE2 LYS B 531 -15.530 14.387 -1.467 1.00 1.81 H new ATOM 0 HE3 LYS B 531 -15.262 16.072 -1.867 1.00 1.81 H new ATOM 0 HZ1 LYS B 531 -14.694 15.329 -3.869 1.00 2.28 H new ATOM 0 HZ2 LYS B 531 -13.246 14.776 -3.175 1.00 2.28 H new ATOM 0 HZ3 LYS B 531 -14.564 13.719 -3.345 1.00 2.28 H new ATOM 836 N ARG B 532 -16.621 12.149 1.690 1.00 0.00 N ATOM 837 CA ARG B 532 -17.591 11.143 2.065 1.00 0.00 C ATOM 838 C ARG B 532 -18.046 10.366 0.834 1.00 0.00 C ATOM 839 O ARG B 532 -17.883 10.829 -0.303 1.00 0.00 O ATOM 840 CB ARG B 532 -18.797 11.796 2.744 1.00 0.01 C ATOM 841 CG ARG B 532 -18.438 12.647 3.951 1.00 1.32 C ATOM 842 CD ARG B 532 -17.849 11.809 5.076 1.00 1.86 C ATOM 843 NE ARG B 532 -17.622 12.597 6.284 1.00 2.54 N ATOM 844 CZ ARG B 532 -17.288 12.068 7.459 1.00 3.32 C ATOM 845 NH1 ARG B 532 -17.142 10.756 7.583 1.00 3.60 N ATOM 846 NH2 ARG B 532 -17.101 12.854 8.510 1.00 4.21 N ATOM 0 H ARG B 532 -17.023 13.022 1.349 1.00 0.00 H new ATOM 0 HA ARG B 532 -17.122 10.453 2.766 1.00 0.00 H new ATOM 0 HB2 ARG B 532 -19.319 12.417 2.016 1.00 0.01 H new ATOM 0 HB3 ARG B 532 -19.493 11.017 3.055 1.00 0.01 H new ATOM 0 HG2 ARG B 532 -17.722 13.414 3.655 1.00 1.32 H new ATOM 0 HG3 ARG B 532 -19.328 13.163 4.310 1.00 1.32 H new ATOM 0 HD2 ARG B 532 -18.523 10.983 5.303 1.00 1.86 H new ATOM 0 HD3 ARG B 532 -16.907 11.371 4.747 1.00 1.86 H new ATOM 0 HE ARG B 532 -17.725 13.610 6.224 1.00 2.54 H new ATOM 0 HH11 ARG B 532 -17.286 10.148 6.776 1.00 3.60 H new ATOM 0 HH12 ARG B 532 -16.886 10.354 8.485 1.00 3.60 H new ATOM 0 HH21 ARG B 532 -17.213 13.864 8.418 1.00 4.21 H new ATOM 0 HH22 ARG B 532 -16.845 12.449 9.411 1.00 4.21 H new ATOM 860 N GLY B 533 -18.610 9.183 1.070 1.00 0.00 N ATOM 861 CA GLY B 533 -19.096 8.352 -0.009 1.00 0.00 C ATOM 862 C GLY B 533 -18.046 7.432 -0.599 1.00 0.00 C ATOM 863 O GLY B 533 -17.036 7.883 -1.131 1.00 0.00 O ATOM 0 H GLY B 533 -18.738 8.786 2.001 1.00 0.00 H new ATOM 0 HA2 GLY B 533 -19.928 7.750 0.356 1.00 0.00 H new ATOM 0 HA3 GLY B 533 -19.488 8.992 -0.799 1.00 0.00 H new ATOM 867 N LYS B 534 -18.311 6.129 -0.518 1.00 0.00 N ATOM 868 CA LYS B 534 -17.433 5.114 -1.089 1.00 0.00 C ATOM 869 C LYS B 534 -16.995 5.432 -2.532 1.00 0.00 C ATOM 870 O LYS B 534 -15.868 5.161 -2.907 1.00 0.00 O ATOM 871 CB LYS B 534 -18.122 3.745 -1.059 1.00 0.02 C ATOM 872 CG LYS B 534 -18.441 3.246 0.342 1.00 1.17 C ATOM 873 CD LYS B 534 -19.820 3.692 0.801 1.00 1.67 C ATOM 874 CE LYS B 534 -20.108 3.232 2.221 1.00 2.37 C ATOM 875 NZ LYS B 534 -19.990 1.753 2.361 1.00 2.95 N ATOM 0 H LYS B 534 -19.138 5.750 -0.056 1.00 0.00 H new ATOM 0 HA LYS B 534 -16.534 5.103 -0.473 1.00 0.00 H new ATOM 0 HB2 LYS B 534 -19.047 3.802 -1.633 1.00 0.02 H new ATOM 0 HB3 LYS B 534 -17.482 3.016 -1.557 1.00 0.02 H new ATOM 0 HG2 LYS B 534 -18.386 2.158 0.361 1.00 1.17 H new ATOM 0 HG3 LYS B 534 -17.689 3.615 1.039 1.00 1.17 H new ATOM 0 HD2 LYS B 534 -19.889 4.779 0.748 1.00 1.67 H new ATOM 0 HD3 LYS B 534 -20.577 3.291 0.127 1.00 1.67 H new ATOM 0 HE2 LYS B 534 -19.415 3.718 2.908 1.00 2.37 H new ATOM 0 HE3 LYS B 534 -21.112 3.545 2.507 1.00 2.37 H new ATOM 0 HZ1 LYS B 534 -20.227 1.477 3.335 1.00 2.95 H new ATOM 0 HZ2 LYS B 534 -20.645 1.288 1.700 1.00 2.95 H new ATOM 0 HZ3 LYS B 534 -19.016 1.461 2.146 1.00 2.95 H new ATOM 889 N ASP B 535 -17.881 6.012 -3.334 1.00 0.00 N ATOM 890 CA ASP B 535 -17.493 6.447 -4.671 1.00 0.00 C ATOM 891 C ASP B 535 -16.216 7.299 -4.619 1.00 0.00 C ATOM 892 O ASP B 535 -15.264 7.030 -5.340 1.00 0.00 O ATOM 893 CB ASP B 535 -18.630 7.233 -5.329 1.00 0.01 C ATOM 894 CG ASP B 535 -19.036 8.454 -4.529 1.00 1.35 C ATOM 895 OD1 ASP B 535 -19.600 8.281 -3.427 1.00 1.82 O ATOM 896 OD2 ASP B 535 -18.794 9.582 -5.005 1.00 2.20 O ATOM 0 H ASP B 535 -18.855 6.190 -3.089 1.00 0.00 H new ATOM 0 HA ASP B 535 -17.289 5.560 -5.271 1.00 0.00 H new ATOM 0 HB2 ASP B 535 -18.321 7.544 -6.327 1.00 0.01 H new ATOM 0 HB3 ASP B 535 -19.494 6.580 -5.452 1.00 0.01 H new ATOM 901 N ASN B 536 -16.210 8.326 -3.768 1.00 0.00 N ATOM 902 CA ASN B 536 -15.038 9.193 -3.599 1.00 0.00 C ATOM 903 C ASN B 536 -13.855 8.463 -2.993 1.00 0.00 C ATOM 904 O ASN B 536 -12.712 8.628 -3.432 1.00 0.00 O ATOM 905 CB ASN B 536 -15.395 10.401 -2.730 1.00 0.07 C ATOM 906 CG ASN B 536 -16.465 11.275 -3.356 1.00 0.63 C ATOM 907 OD1 ASN B 536 -16.165 12.190 -4.125 1.00 1.38 O ATOM 908 ND2 ASN B 536 -17.722 11.003 -3.028 1.00 1.47 N ATOM 0 H ASN B 536 -17.005 8.580 -3.182 1.00 0.00 H new ATOM 0 HA ASN B 536 -14.744 9.523 -4.595 1.00 0.00 H new ATOM 0 HB2 ASN B 536 -15.739 10.054 -1.756 1.00 0.07 H new ATOM 0 HB3 ASN B 536 -14.499 10.997 -2.558 1.00 0.07 H new ATOM 0 HD21 ASN B 536 -18.483 11.561 -3.416 1.00 1.47 H new ATOM 0 HD22 ASN B 536 -17.927 10.236 -2.388 1.00 1.47 H new ATOM 915 N LYS B 537 -14.118 7.680 -1.955 1.00 0.00 N ATOM 916 CA LYS B 537 -13.035 7.022 -1.232 1.00 0.00 C ATOM 917 C LYS B 537 -12.376 5.965 -2.114 1.00 0.00 C ATOM 918 O LYS B 537 -11.168 5.734 -2.025 1.00 0.00 O ATOM 919 CB LYS B 537 -13.561 6.373 0.049 1.00 0.03 C ATOM 920 CG LYS B 537 -14.015 7.371 1.101 1.00 0.81 C ATOM 921 CD LYS B 537 -14.464 6.668 2.371 1.00 1.12 C ATOM 922 CE LYS B 537 -14.876 7.659 3.447 1.00 1.82 C ATOM 923 NZ LYS B 537 -16.069 8.454 3.043 1.00 2.50 N ATOM 0 H LYS B 537 -15.054 7.486 -1.599 1.00 0.00 H new ATOM 0 HA LYS B 537 -12.294 7.776 -0.965 1.00 0.00 H new ATOM 0 HB2 LYS B 537 -14.396 5.719 -0.203 1.00 0.03 H new ATOM 0 HB3 LYS B 537 -12.779 5.743 0.473 1.00 0.03 H new ATOM 0 HG2 LYS B 537 -13.199 8.056 1.331 1.00 0.81 H new ATOM 0 HG3 LYS B 537 -14.834 7.972 0.706 1.00 0.81 H new ATOM 0 HD2 LYS B 537 -15.301 6.008 2.145 1.00 1.12 H new ATOM 0 HD3 LYS B 537 -13.655 6.040 2.745 1.00 1.12 H new ATOM 0 HE2 LYS B 537 -15.093 7.122 4.371 1.00 1.82 H new ATOM 0 HE3 LYS B 537 -14.045 8.333 3.657 1.00 1.82 H new ATOM 0 HZ1 LYS B 537 -16.633 8.686 3.885 1.00 2.50 H new ATOM 0 HZ2 LYS B 537 -15.760 9.332 2.580 1.00 2.50 H new ATOM 0 HZ3 LYS B 537 -16.648 7.899 2.381 1.00 2.50 H new ATOM 937 N ALA B 538 -13.176 5.357 -2.987 1.00 0.00 N ATOM 938 CA ALA B 538 -12.693 4.350 -3.922 1.00 0.00 C ATOM 939 C ALA B 538 -11.768 4.969 -4.968 1.00 0.00 C ATOM 940 O ALA B 538 -10.697 4.442 -5.243 1.00 0.00 O ATOM 941 CB ALA B 538 -13.863 3.649 -4.593 1.00 0.04 C ATOM 0 H ALA B 538 -14.175 5.550 -3.064 1.00 0.00 H new ATOM 0 HA ALA B 538 -12.118 3.613 -3.361 1.00 0.00 H new ATOM 0 HB1 ALA B 538 -13.487 2.899 -5.289 1.00 0.04 H new ATOM 0 HB2 ALA B 538 -14.480 3.165 -3.836 1.00 0.04 H new ATOM 0 HB3 ALA B 538 -14.462 4.380 -5.136 1.00 0.04 H new ATOM 947 N ILE B 539 -12.189 6.086 -5.546 1.00 0.00 N ATOM 948 CA ILE B 539 -11.335 6.843 -6.454 1.00 0.00 C ATOM 949 C ILE B 539 -10.027 7.272 -5.761 1.00 0.00 C ATOM 950 O ILE B 539 -8.925 6.984 -6.229 1.00 0.00 O ATOM 951 CB ILE B 539 -12.060 8.091 -6.994 1.00 0.05 C ATOM 952 CG1 ILE B 539 -13.347 7.682 -7.714 1.00 1.15 C ATOM 953 CG2 ILE B 539 -11.148 8.875 -7.929 1.00 1.12 C ATOM 954 CD1 ILE B 539 -14.252 8.847 -8.058 1.00 1.82 C ATOM 0 H ILE B 539 -13.115 6.488 -5.403 1.00 0.00 H new ATOM 0 HA ILE B 539 -11.095 6.185 -7.289 1.00 0.00 H new ATOM 0 HB ILE B 539 -12.321 8.735 -6.154 1.00 0.05 H new ATOM 0 HG12 ILE B 539 -13.087 7.153 -8.631 1.00 1.15 H new ATOM 0 HG13 ILE B 539 -13.896 6.980 -7.086 1.00 1.15 H new ATOM 0 HG21 ILE B 539 -11.676 9.753 -8.301 1.00 1.12 H new ATOM 0 HG22 ILE B 539 -10.256 9.191 -7.387 1.00 1.12 H new ATOM 0 HG23 ILE B 539 -10.858 8.243 -8.769 1.00 1.12 H new ATOM 0 HD11 ILE B 539 -15.143 8.478 -8.566 1.00 1.82 H new ATOM 0 HD12 ILE B 539 -14.544 9.364 -7.144 1.00 1.82 H new ATOM 0 HD13 ILE B 539 -13.722 9.539 -8.712 1.00 1.82 H new ATOM 966 N ILE B 540 -10.147 7.957 -4.633 1.00 0.00 N ATOM 967 CA ILE B 540 -8.959 8.425 -3.927 1.00 0.00 C ATOM 968 C ILE B 540 -8.036 7.255 -3.594 1.00 0.00 C ATOM 969 O ILE B 540 -6.836 7.308 -3.846 1.00 0.00 O ATOM 970 CB ILE B 540 -9.330 9.164 -2.624 1.00 0.06 C ATOM 971 CG1 ILE B 540 -10.164 10.408 -2.939 1.00 1.12 C ATOM 972 CG2 ILE B 540 -8.073 9.542 -1.852 1.00 1.11 C ATOM 973 CD1 ILE B 540 -10.704 11.105 -1.706 1.00 1.85 C ATOM 0 H ILE B 540 -11.035 8.198 -4.192 1.00 0.00 H new ATOM 0 HA ILE B 540 -8.444 9.121 -4.589 1.00 0.00 H new ATOM 0 HB ILE B 540 -9.927 8.497 -2.002 1.00 0.06 H new ATOM 0 HG12 ILE B 540 -9.553 11.111 -3.505 1.00 1.12 H new ATOM 0 HG13 ILE B 540 -10.998 10.123 -3.580 1.00 1.12 H new ATOM 0 HG21 ILE B 540 -8.352 10.062 -0.936 1.00 1.11 H new ATOM 0 HG22 ILE B 540 -7.515 8.640 -1.602 1.00 1.11 H new ATOM 0 HG23 ILE B 540 -7.452 10.195 -2.465 1.00 1.11 H new ATOM 0 HD11 ILE B 540 -11.285 11.977 -2.006 1.00 1.85 H new ATOM 0 HD12 ILE B 540 -11.342 10.418 -1.150 1.00 1.85 H new ATOM 0 HD13 ILE B 540 -9.874 11.421 -1.074 1.00 1.85 H new ATOM 985 N ALA B 541 -8.616 6.197 -3.038 1.00 0.00 N ATOM 986 CA ALA B 541 -7.883 4.992 -2.670 1.00 0.00 C ATOM 987 C ALA B 541 -7.139 4.343 -3.845 1.00 0.00 C ATOM 988 O ALA B 541 -5.985 3.915 -3.705 1.00 0.00 O ATOM 989 CB ALA B 541 -8.825 3.985 -2.028 1.00 0.02 C ATOM 0 H ALA B 541 -9.613 6.151 -2.829 1.00 0.00 H new ATOM 0 HA ALA B 541 -7.120 5.301 -1.956 1.00 0.00 H new ATOM 0 HB1 ALA B 541 -8.268 3.088 -1.756 1.00 0.02 H new ATOM 0 HB2 ALA B 541 -9.269 4.421 -1.133 1.00 0.02 H new ATOM 0 HB3 ALA B 541 -9.613 3.723 -2.734 1.00 0.02 H new ATOM 995 N SER B 542 -7.806 4.248 -4.992 1.00 0.00 N ATOM 996 CA SER B 542 -7.190 3.623 -6.164 1.00 0.00 C ATOM 997 C SER B 542 -5.933 4.383 -6.566 1.00 0.00 C ATOM 998 O SER B 542 -4.944 3.783 -6.958 1.00 0.00 O ATOM 999 CB SER B 542 -8.176 3.581 -7.332 1.00 0.01 C ATOM 1000 OG SER B 542 -8.530 4.886 -7.751 1.00 1.20 O ATOM 0 H SER B 542 -8.757 4.588 -5.137 1.00 0.00 H new ATOM 0 HA SER B 542 -6.917 2.600 -5.905 1.00 0.00 H new ATOM 0 HB2 SER B 542 -7.733 3.036 -8.166 1.00 0.01 H new ATOM 0 HB3 SER B 542 -9.072 3.036 -7.035 1.00 0.01 H new ATOM 0 HG SER B 542 -8.535 5.488 -6.978 1.00 1.20 H new ATOM 1006 N ASN B 543 -6.006 5.707 -6.462 1.00 0.00 N ATOM 1007 CA ASN B 543 -4.957 6.613 -6.889 1.00 0.00 C ATOM 1008 C ASN B 543 -3.684 6.555 -6.034 1.00 0.00 C ATOM 1009 O ASN B 543 -2.564 6.476 -6.541 1.00 0.00 O ATOM 1010 CB ASN B 543 -5.489 8.047 -6.905 1.00 0.01 C ATOM 1011 CG ASN B 543 -4.455 9.043 -7.394 1.00 1.12 C ATOM 1012 OD1 ASN B 543 -3.594 8.713 -8.208 1.00 2.03 O ATOM 1013 ND2 ASN B 543 -4.536 10.272 -6.898 1.00 1.80 N ATOM 0 H ASN B 543 -6.817 6.185 -6.069 1.00 0.00 H new ATOM 0 HA ASN B 543 -4.670 6.286 -7.888 1.00 0.00 H new ATOM 0 HB2 ASN B 543 -6.369 8.098 -7.546 1.00 0.01 H new ATOM 0 HB3 ASN B 543 -5.809 8.324 -5.901 1.00 0.01 H new ATOM 0 HD21 ASN B 543 -3.868 10.985 -7.190 1.00 1.80 H new ATOM 0 HD22 ASN B 543 -5.266 10.503 -6.225 1.00 1.80 H new ATOM 1020 N ILE B 544 -3.867 6.582 -4.731 1.00 0.00 N ATOM 1021 CA ILE B 544 -2.781 6.321 -3.816 1.00 0.00 C ATOM 1022 C ILE B 544 -2.124 4.981 -4.206 1.00 0.00 C ATOM 1023 O ILE B 544 -0.899 4.864 -4.294 1.00 0.00 O ATOM 1024 CB ILE B 544 -3.205 6.314 -2.328 1.00 0.05 C ATOM 1025 CG1 ILE B 544 -4.246 5.234 -2.047 1.00 1.41 C ATOM 1026 CG2 ILE B 544 -3.738 7.681 -1.929 1.00 1.38 C ATOM 1027 CD1 ILE B 544 -4.554 5.056 -0.574 1.00 1.81 C ATOM 0 H ILE B 544 -4.761 6.783 -4.283 1.00 0.00 H new ATOM 0 HA ILE B 544 -2.069 7.142 -3.905 1.00 0.00 H new ATOM 0 HB ILE B 544 -2.323 6.086 -1.729 1.00 0.05 H new ATOM 0 HG12 ILE B 544 -5.167 5.483 -2.575 1.00 1.41 H new ATOM 0 HG13 ILE B 544 -3.892 4.286 -2.453 1.00 1.41 H new ATOM 0 HG21 ILE B 544 -4.033 7.664 -0.880 1.00 1.38 H new ATOM 0 HG22 ILE B 544 -2.961 8.431 -2.075 1.00 1.38 H new ATOM 0 HG23 ILE B 544 -4.602 7.929 -2.545 1.00 1.38 H new ATOM 0 HD11 ILE B 544 -5.302 4.272 -0.451 1.00 1.81 H new ATOM 0 HD12 ILE B 544 -3.644 4.776 -0.043 1.00 1.81 H new ATOM 0 HD13 ILE B 544 -4.938 5.991 -0.167 1.00 1.81 H new ATOM 1039 N MET B 545 -2.943 3.969 -4.459 1.00 0.00 N ATOM 1040 CA MET B 545 -2.395 2.675 -4.846 1.00 0.00 C ATOM 1041 C MET B 545 -1.647 2.722 -6.184 1.00 0.00 C ATOM 1042 O MET B 545 -0.568 2.139 -6.321 1.00 0.00 O ATOM 1043 CB MET B 545 -3.508 1.629 -4.910 1.00 0.04 C ATOM 1044 CG MET B 545 -4.166 1.365 -3.564 1.00 0.88 C ATOM 1045 SD MET B 545 -2.967 0.996 -2.269 1.00 1.81 S ATOM 1046 CE MET B 545 -4.049 0.750 -0.865 1.00 2.60 C ATOM 0 H MET B 545 -3.961 4.014 -4.406 1.00 0.00 H new ATOM 0 HA MET B 545 -1.669 2.399 -4.081 1.00 0.00 H new ATOM 0 HB2 MET B 545 -4.267 1.960 -5.619 1.00 0.04 H new ATOM 0 HB3 MET B 545 -3.098 0.695 -5.295 1.00 0.04 H new ATOM 0 HG2 MET B 545 -4.753 2.236 -3.273 1.00 0.88 H new ATOM 0 HG3 MET B 545 -4.860 0.530 -3.660 1.00 0.88 H new ATOM 0 HE1 MET B 545 -3.477 0.849 0.057 1.00 2.60 H new ATOM 0 HE2 MET B 545 -4.842 1.497 -0.882 1.00 2.60 H new ATOM 0 HE3 MET B 545 -4.488 -0.246 -0.914 1.00 2.60 H new ATOM 1056 N TYR B 546 -2.207 3.423 -7.164 1.00 0.00 N ATOM 1057 CA TYR B 546 -1.506 3.562 -8.421 1.00 0.00 C ATOM 1058 C TYR B 546 -0.144 4.209 -8.187 1.00 0.00 C ATOM 1059 O TYR B 546 0.869 3.698 -8.654 1.00 0.00 O ATOM 1060 CB TYR B 546 -2.327 4.405 -9.400 1.00 0.01 C ATOM 1061 CG TYR B 546 -1.685 4.551 -10.761 1.00 0.55 C ATOM 1062 CD1 TYR B 546 -1.865 3.584 -11.742 1.00 0.55 C ATOM 1063 CD2 TYR B 546 -0.901 5.657 -11.067 1.00 1.19 C ATOM 1064 CE1 TYR B 546 -1.281 3.714 -12.987 1.00 1.00 C ATOM 1065 CE2 TYR B 546 -0.314 5.794 -12.310 1.00 1.68 C ATOM 1066 CZ TYR B 546 -0.506 4.820 -13.266 1.00 1.57 C ATOM 1067 OH TYR B 546 0.077 4.952 -14.505 1.00 2.08 O ATOM 0 H TYR B 546 -3.114 3.887 -7.112 1.00 0.00 H new ATOM 0 HA TYR B 546 -1.361 2.572 -8.853 1.00 0.00 H new ATOM 0 HB2 TYR B 546 -3.311 3.952 -9.519 1.00 0.01 H new ATOM 0 HB3 TYR B 546 -2.481 5.396 -8.972 1.00 0.01 H new ATOM 0 HD1 TYR B 546 -2.471 2.716 -11.528 1.00 0.55 H new ATOM 0 HD2 TYR B 546 -0.748 6.422 -10.320 1.00 1.19 H new ATOM 0 HE1 TYR B 546 -1.431 2.953 -13.739 1.00 1.00 H new ATOM 0 HE2 TYR B 546 0.292 6.660 -12.531 1.00 1.68 H new ATOM 0 HH TYR B 546 0.589 5.787 -14.538 1.00 2.08 H new ATOM 1077 N ILE B 547 -0.134 5.313 -7.439 1.00 0.00 N ATOM 1078 CA ILE B 547 1.092 6.045 -7.106 1.00 0.00 C ATOM 1079 C ILE B 547 2.149 5.161 -6.442 1.00 0.00 C ATOM 1080 O ILE B 547 3.251 4.975 -6.968 1.00 0.00 O ATOM 1081 CB ILE B 547 0.792 7.252 -6.191 1.00 0.06 C ATOM 1082 CG1 ILE B 547 -0.099 8.269 -6.915 1.00 0.74 C ATOM 1083 CG2 ILE B 547 2.085 7.910 -5.726 1.00 0.78 C ATOM 1084 CD1 ILE B 547 0.495 8.801 -8.204 1.00 1.50 C ATOM 0 H ILE B 547 -0.979 5.727 -7.045 1.00 0.00 H new ATOM 0 HA ILE B 547 1.495 6.396 -8.056 1.00 0.00 H new ATOM 0 HB ILE B 547 0.258 6.890 -5.313 1.00 0.06 H new ATOM 0 HG12 ILE B 547 -1.060 7.803 -7.135 1.00 0.74 H new ATOM 0 HG13 ILE B 547 -0.296 9.106 -6.245 1.00 0.74 H new ATOM 0 HG21 ILE B 547 1.851 8.758 -5.083 1.00 0.78 H new ATOM 0 HG22 ILE B 547 2.682 7.187 -5.170 1.00 0.78 H new ATOM 0 HG23 ILE B 547 2.649 8.257 -6.592 1.00 0.78 H new ATOM 0 HD11 ILE B 547 -0.195 9.514 -8.656 1.00 1.50 H new ATOM 0 HD12 ILE B 547 1.442 9.297 -7.991 1.00 1.50 H new ATOM 0 HD13 ILE B 547 0.666 7.975 -8.894 1.00 1.50 H new ATOM 1096 N VAL B 548 1.821 4.605 -5.289 1.00 0.00 N ATOM 1097 CA VAL B 548 2.744 3.687 -4.639 1.00 0.00 C ATOM 1098 C VAL B 548 3.289 2.644 -5.630 1.00 0.00 C ATOM 1099 O VAL B 548 4.477 2.341 -5.636 1.00 0.00 O ATOM 1100 CB VAL B 548 2.109 2.969 -3.429 1.00 0.03 C ATOM 1101 CG1 VAL B 548 1.718 3.974 -2.357 1.00 1.40 C ATOM 1102 CG2 VAL B 548 0.908 2.138 -3.849 1.00 1.39 C ATOM 0 H VAL B 548 0.945 4.766 -4.792 1.00 0.00 H new ATOM 0 HA VAL B 548 3.569 4.298 -4.273 1.00 0.00 H new ATOM 0 HB VAL B 548 2.854 2.291 -3.013 1.00 0.03 H new ATOM 0 HG11 VAL B 548 1.272 3.450 -1.512 1.00 1.40 H new ATOM 0 HG12 VAL B 548 2.605 4.513 -2.023 1.00 1.40 H new ATOM 0 HG13 VAL B 548 0.997 4.681 -2.767 1.00 1.40 H new ATOM 0 HG21 VAL B 548 0.483 1.645 -2.975 1.00 1.39 H new ATOM 0 HG22 VAL B 548 0.157 2.786 -4.301 1.00 1.39 H new ATOM 0 HG23 VAL B 548 1.221 1.386 -4.573 1.00 1.39 H new ATOM 1112 N GLY B 549 2.416 2.077 -6.461 1.00 0.00 N ATOM 1113 CA GLY B 549 2.816 1.046 -7.407 1.00 0.00 C ATOM 1114 C GLY B 549 3.915 1.501 -8.346 1.00 0.00 C ATOM 1115 O GLY B 549 4.729 0.701 -8.824 1.00 0.00 O ATOM 0 H GLY B 549 1.425 2.318 -6.495 1.00 0.00 H new ATOM 0 HA2 GLY B 549 3.155 0.168 -6.858 1.00 0.00 H new ATOM 0 HA3 GLY B 549 1.949 0.741 -7.992 1.00 0.00 H new ATOM 1119 N GLN B 550 3.952 2.807 -8.597 1.00 0.00 N ATOM 1120 CA GLN B 550 4.881 3.390 -9.552 1.00 0.00 C ATOM 1121 C GLN B 550 6.224 3.728 -8.929 1.00 0.00 C ATOM 1122 O GLN B 550 7.179 4.046 -9.636 1.00 0.00 O ATOM 1123 CB GLN B 550 4.264 4.648 -10.172 1.00 0.01 C ATOM 1124 CG GLN B 550 5.022 5.182 -11.379 1.00 1.12 C ATOM 1125 CD GLN B 550 4.647 4.487 -12.678 1.00 1.59 C ATOM 1126 OE1 GLN B 550 4.702 5.088 -13.750 1.00 2.25 O ATOM 1127 NE2 GLN B 550 4.268 3.216 -12.593 1.00 2.27 N ATOM 0 H GLN B 550 3.340 3.486 -8.144 1.00 0.00 H new ATOM 0 HA GLN B 550 5.064 2.642 -10.323 1.00 0.00 H new ATOM 0 HB2 GLN B 550 3.238 4.428 -10.469 1.00 0.01 H new ATOM 0 HB3 GLN B 550 4.216 5.428 -9.412 1.00 0.01 H new ATOM 0 HG2 GLN B 550 4.829 6.250 -11.477 1.00 1.12 H new ATOM 0 HG3 GLN B 550 6.092 5.066 -11.208 1.00 1.12 H new ATOM 0 HE21 GLN B 550 4.236 2.753 -11.685 1.00 2.27 H new ATOM 0 HE22 GLN B 550 4.010 2.703 -13.436 1.00 2.27 H new ATOM 1136 N TYR B 551 6.302 3.640 -7.605 1.00 0.00 N ATOM 1137 CA TYR B 551 7.520 4.004 -6.906 1.00 0.00 C ATOM 1138 C TYR B 551 8.132 2.858 -6.086 1.00 0.00 C ATOM 1139 O TYR B 551 8.289 2.968 -4.871 1.00 0.00 O ATOM 1140 CB TYR B 551 7.260 5.204 -5.994 1.00 0.08 C ATOM 1141 CG TYR B 551 7.083 6.510 -6.738 1.00 0.90 C ATOM 1142 CD1 TYR B 551 5.868 6.834 -7.328 1.00 1.10 C ATOM 1143 CD2 TYR B 551 8.131 7.413 -6.855 1.00 1.80 C ATOM 1144 CE1 TYR B 551 5.701 8.024 -8.011 1.00 1.91 C ATOM 1145 CE2 TYR B 551 7.973 8.606 -7.537 1.00 2.65 C ATOM 1146 CZ TYR B 551 6.760 8.913 -8.101 1.00 2.65 C ATOM 1147 OH TYR B 551 6.594 10.091 -8.794 1.00 3.53 O ATOM 0 H TYR B 551 5.542 3.323 -7.003 1.00 0.00 H new ATOM 0 HA TYR B 551 8.247 4.257 -7.677 1.00 0.00 H new ATOM 0 HB2 TYR B 551 6.366 5.011 -5.401 1.00 0.08 H new ATOM 0 HB3 TYR B 551 8.091 5.304 -5.295 1.00 0.08 H new ATOM 0 HD1 TYR B 551 5.040 6.145 -7.252 1.00 1.10 H new ATOM 0 HD2 TYR B 551 9.085 7.180 -6.406 1.00 1.80 H new ATOM 0 HE1 TYR B 551 4.753 8.259 -8.471 1.00 1.91 H new ATOM 0 HE2 TYR B 551 8.801 9.293 -7.625 1.00 2.65 H new ATOM 0 HH TYR B 551 7.426 10.607 -8.766 1.00 3.53 H new ATOM 1157 N PRO B 552 8.484 1.747 -6.754 1.00 0.00 N ATOM 1158 CA PRO B 552 9.115 0.635 -6.029 1.00 0.00 C ATOM 1159 C PRO B 552 10.379 1.051 -5.273 1.00 0.00 C ATOM 1160 O PRO B 552 10.617 0.552 -4.182 1.00 0.00 O ATOM 1161 CB PRO B 552 9.458 -0.366 -7.143 1.00 0.01 C ATOM 1162 CG PRO B 552 9.379 0.412 -8.418 1.00 0.46 C ATOM 1163 CD PRO B 552 8.351 1.483 -8.191 1.00 0.02 C ATOM 0 HA PRO B 552 8.456 0.234 -5.259 1.00 0.00 H new ATOM 0 HB2 PRO B 552 10.454 -0.786 -7.000 1.00 0.01 H new ATOM 0 HB3 PRO B 552 8.758 -1.201 -7.149 1.00 0.01 H new ATOM 0 HG2 PRO B 552 10.346 0.847 -8.669 1.00 0.46 H new ATOM 0 HG3 PRO B 552 9.094 -0.232 -9.250 1.00 0.46 H new ATOM 0 HD2 PRO B 552 8.552 2.373 -8.788 1.00 0.02 H new ATOM 0 HD3 PRO B 552 7.348 1.145 -8.451 1.00 0.02 H new ATOM 1171 N ARG B 553 11.201 1.914 -5.860 1.00 0.00 N ATOM 1172 CA ARG B 553 12.484 2.260 -5.258 1.00 0.00 C ATOM 1173 C ARG B 553 12.267 2.790 -3.845 1.00 0.00 C ATOM 1174 O ARG B 553 12.957 2.403 -2.911 1.00 0.00 O ATOM 1175 CB ARG B 553 13.212 3.306 -6.107 1.00 0.01 C ATOM 1176 CG ARG B 553 14.589 3.670 -5.574 1.00 1.17 C ATOM 1177 CD ARG B 553 15.554 2.498 -5.665 1.00 1.73 C ATOM 1178 NE ARG B 553 15.766 2.068 -7.044 1.00 2.26 N ATOM 1179 CZ ARG B 553 16.642 1.131 -7.397 1.00 3.06 C ATOM 1180 NH1 ARG B 553 17.384 0.531 -6.476 1.00 3.50 N ATOM 1181 NH2 ARG B 553 16.777 0.793 -8.672 1.00 3.87 N ATOM 0 H ARG B 553 11.005 2.383 -6.744 1.00 0.00 H new ATOM 0 HA ARG B 553 13.102 1.363 -5.212 1.00 0.00 H new ATOM 0 HB2 ARG B 553 13.313 2.929 -7.125 1.00 0.01 H new ATOM 0 HB3 ARG B 553 12.602 4.208 -6.160 1.00 0.01 H new ATOM 0 HG2 ARG B 553 14.987 4.514 -6.138 1.00 1.17 H new ATOM 0 HG3 ARG B 553 14.504 3.992 -4.536 1.00 1.17 H new ATOM 0 HD2 ARG B 553 16.509 2.780 -5.223 1.00 1.73 H new ATOM 0 HD3 ARG B 553 15.166 1.663 -5.081 1.00 1.73 H new ATOM 0 HE ARG B 553 15.212 2.510 -7.777 1.00 2.26 H new ATOM 0 HH11 ARG B 553 17.284 0.788 -5.494 1.00 3.50 H new ATOM 0 HH12 ARG B 553 18.055 -0.187 -6.750 1.00 3.50 H new ATOM 0 HH21 ARG B 553 16.209 1.252 -9.384 1.00 3.87 H new ATOM 0 HH22 ARG B 553 17.449 0.074 -8.941 1.00 3.87 H new ATOM 1195 N PHE B 554 11.304 3.698 -3.716 1.00 0.00 N ATOM 1196 CA PHE B 554 10.769 4.142 -2.432 1.00 0.00 C ATOM 1197 C PHE B 554 10.406 2.963 -1.519 1.00 0.00 C ATOM 1198 O PHE B 554 10.934 2.836 -0.406 1.00 0.00 O ATOM 1199 CB PHE B 554 9.546 5.034 -2.637 1.00 0.03 C ATOM 1200 CG PHE B 554 9.035 5.643 -1.361 1.00 0.17 C ATOM 1201 CD1 PHE B 554 9.607 6.798 -0.852 1.00 0.40 C ATOM 1202 CD2 PHE B 554 7.985 5.058 -0.669 1.00 0.59 C ATOM 1203 CE1 PHE B 554 9.140 7.360 0.322 1.00 0.45 C ATOM 1204 CE2 PHE B 554 7.515 5.616 0.506 1.00 0.70 C ATOM 1205 CZ PHE B 554 8.094 6.768 1.002 1.00 0.48 C ATOM 0 H PHE B 554 10.865 4.155 -4.516 1.00 0.00 H new ATOM 0 HA PHE B 554 11.556 4.715 -1.941 1.00 0.00 H new ATOM 0 HB2 PHE B 554 9.799 5.831 -3.336 1.00 0.03 H new ATOM 0 HB3 PHE B 554 8.750 4.448 -3.096 1.00 0.03 H new ATOM 0 HD1 PHE B 554 10.427 7.264 -1.378 1.00 0.40 H new ATOM 0 HD2 PHE B 554 7.529 4.157 -1.052 1.00 0.59 H new ATOM 0 HE1 PHE B 554 9.593 8.262 0.707 1.00 0.45 H new ATOM 0 HE2 PHE B 554 6.696 5.152 1.035 1.00 0.70 H new ATOM 0 HZ PHE B 554 7.729 7.205 1.920 1.00 0.48 H new ATOM 1215 N LEU B 555 9.491 2.113 -1.987 1.00 0.00 N ATOM 1216 CA LEU B 555 9.029 0.956 -1.221 1.00 0.00 C ATOM 1217 C LEU B 555 10.201 0.113 -0.794 1.00 0.00 C ATOM 1218 O LEU B 555 10.323 -0.251 0.377 1.00 0.00 O ATOM 1219 CB LEU B 555 8.056 0.122 -2.061 1.00 0.03 C ATOM 1220 CG LEU B 555 6.600 0.601 -2.056 1.00 0.54 C ATOM 1221 CD1 LEU B 555 6.509 2.082 -2.389 1.00 1.49 C ATOM 1222 CD2 LEU B 555 5.774 -0.213 -3.041 1.00 1.34 C ATOM 0 H LEU B 555 9.052 2.207 -2.903 1.00 0.00 H new ATOM 0 HA LEU B 555 8.510 1.310 -0.330 1.00 0.00 H new ATOM 0 HB2 LEU B 555 8.412 0.109 -3.091 1.00 0.03 H new ATOM 0 HB3 LEU B 555 8.083 -0.907 -1.701 1.00 0.03 H new ATOM 0 HG LEU B 555 6.199 0.455 -1.053 1.00 0.54 H new ATOM 0 HD11 LEU B 555 5.465 2.394 -2.378 1.00 1.49 H new ATOM 0 HD12 LEU B 555 7.067 2.656 -1.649 1.00 1.49 H new ATOM 0 HD13 LEU B 555 6.930 2.259 -3.379 1.00 1.49 H new ATOM 0 HD21 LEU B 555 4.742 0.138 -3.027 1.00 1.34 H new ATOM 0 HD22 LEU B 555 6.184 -0.095 -4.044 1.00 1.34 H new ATOM 0 HD23 LEU B 555 5.803 -1.265 -2.758 1.00 1.34 H new ATOM 1234 N ARG B 556 11.071 -0.176 -1.756 1.00 0.00 N ATOM 1235 CA ARG B 556 12.244 -1.010 -1.532 1.00 0.00 C ATOM 1236 C ARG B 556 13.132 -0.534 -0.371 1.00 0.00 C ATOM 1237 O ARG B 556 13.691 -1.350 0.380 1.00 0.00 O ATOM 1238 CB ARG B 556 13.075 -1.090 -2.814 1.00 0.02 C ATOM 1239 CG ARG B 556 14.273 -2.020 -2.710 1.00 1.02 C ATOM 1240 CD ARG B 556 15.056 -2.070 -4.012 1.00 1.14 C ATOM 1241 NE ARG B 556 14.263 -2.617 -5.110 1.00 1.74 N ATOM 1242 CZ ARG B 556 14.727 -2.783 -6.347 1.00 2.13 C ATOM 1243 NH1 ARG B 556 15.974 -2.441 -6.644 1.00 1.99 N ATOM 1244 NH2 ARG B 556 13.945 -3.292 -7.287 1.00 3.09 N ATOM 0 H ARG B 556 10.982 0.162 -2.714 1.00 0.00 H new ATOM 0 HA ARG B 556 11.870 -1.995 -1.251 1.00 0.00 H new ATOM 0 HB2 ARG B 556 12.436 -1.426 -3.630 1.00 0.02 H new ATOM 0 HB3 ARG B 556 13.424 -0.090 -3.073 1.00 0.02 H new ATOM 0 HG2 ARG B 556 14.926 -1.685 -1.904 1.00 1.02 H new ATOM 0 HG3 ARG B 556 13.935 -3.023 -2.449 1.00 1.02 H new ATOM 0 HD2 ARG B 556 15.390 -1.066 -4.272 1.00 1.14 H new ATOM 0 HD3 ARG B 556 15.950 -2.678 -3.874 1.00 1.14 H new ATOM 0 HE ARG B 556 13.298 -2.887 -4.918 1.00 1.74 H new ATOM 0 HH11 ARG B 556 16.581 -2.049 -5.924 1.00 1.99 H new ATOM 0 HH12 ARG B 556 16.326 -2.570 -7.593 1.00 1.99 H new ATOM 0 HH21 ARG B 556 12.986 -3.557 -7.064 1.00 3.09 H new ATOM 0 HH22 ARG B 556 14.302 -3.418 -8.234 1.00 3.09 H new ATOM 1258 N ALA B 557 13.237 0.780 -0.208 1.00 0.00 N ATOM 1259 CA ALA B 557 14.100 1.333 0.838 1.00 0.00 C ATOM 1260 C ALA B 557 13.382 1.433 2.181 1.00 0.00 C ATOM 1261 O ALA B 557 14.030 1.659 3.196 1.00 0.00 O ATOM 1262 CB ALA B 557 14.618 2.697 0.414 1.00 0.00 C ATOM 0 H ALA B 557 12.747 1.474 -0.773 1.00 0.00 H new ATOM 0 HA ALA B 557 14.939 0.650 0.970 1.00 0.00 H new ATOM 0 HB1 ALA B 557 15.259 3.102 1.197 1.00 0.00 H new ATOM 0 HB2 ALA B 557 15.190 2.598 -0.509 1.00 0.00 H new ATOM 0 HB3 ALA B 557 13.777 3.370 0.249 1.00 0.00 H new ATOM 1268 N HIS B 558 12.060 1.265 2.189 1.00 0.00 N ATOM 1269 CA HIS B 558 11.289 1.401 3.442 1.00 0.00 C ATOM 1270 C HIS B 558 10.362 0.208 3.752 1.00 0.00 C ATOM 1271 O HIS B 558 9.150 0.300 3.572 1.00 0.00 O ATOM 1272 CB HIS B 558 10.458 2.683 3.391 1.00 0.08 C ATOM 1273 CG HIS B 558 11.258 3.895 3.031 1.00 1.15 C ATOM 1274 ND1 HIS B 558 11.134 4.546 1.822 1.00 2.12 N ATOM 1275 CD2 HIS B 558 12.203 4.570 3.725 1.00 2.10 C ATOM 1276 CE1 HIS B 558 11.968 5.569 1.789 1.00 2.93 C ATOM 1277 NE2 HIS B 558 12.628 5.607 2.931 1.00 2.91 N ATOM 0 H HIS B 558 11.503 1.039 1.365 1.00 0.00 H new ATOM 0 HA HIS B 558 12.025 1.433 4.246 1.00 0.00 H new ATOM 0 HB2 HIS B 558 9.655 2.558 2.665 1.00 0.08 H new ATOM 0 HB3 HIS B 558 9.988 2.842 4.362 1.00 0.08 H new ATOM 0 HD1 HIS B 558 10.498 4.279 1.071 1.00 2.12 H new ATOM 0 HD2 HIS B 558 12.557 4.337 4.718 1.00 2.10 H new ATOM 0 HE1 HIS B 558 12.089 6.258 0.966 1.00 2.93 H new ATOM 1286 N TRP B 559 10.925 -0.884 4.260 1.00 0.00 N ATOM 1287 CA TRP B 559 10.154 -2.120 4.518 1.00 0.00 C ATOM 1288 C TRP B 559 8.849 -1.962 5.321 1.00 0.00 C ATOM 1289 O TRP B 559 7.801 -2.516 4.947 1.00 0.00 O ATOM 1290 CB TRP B 559 11.053 -3.130 5.230 1.00 0.02 C ATOM 1291 CG TRP B 559 12.276 -3.496 4.446 1.00 1.09 C ATOM 1292 CD1 TRP B 559 12.378 -4.467 3.491 1.00 2.27 C ATOM 1293 CD2 TRP B 559 13.574 -2.900 4.552 1.00 1.54 C ATOM 1294 NE1 TRP B 559 13.659 -4.510 2.997 1.00 2.97 N ATOM 1295 CE2 TRP B 559 14.412 -3.557 3.632 1.00 2.47 C ATOM 1296 CE3 TRP B 559 14.108 -1.874 5.335 1.00 2.00 C ATOM 1297 CZ2 TRP B 559 15.755 -3.221 3.474 1.00 3.11 C ATOM 1298 CZ3 TRP B 559 15.441 -1.540 5.178 1.00 2.76 C ATOM 1299 CH2 TRP B 559 16.251 -2.212 4.254 1.00 3.08 C ATOM 0 H TRP B 559 11.913 -0.949 4.505 1.00 0.00 H new ATOM 0 HA TRP B 559 9.836 -2.456 3.531 1.00 0.00 H new ATOM 0 HB2 TRP B 559 11.357 -2.719 6.192 1.00 0.02 H new ATOM 0 HB3 TRP B 559 10.479 -4.033 5.436 1.00 0.02 H new ATOM 0 HD1 TRP B 559 11.570 -5.108 3.171 1.00 2.27 H new ATOM 0 HE1 TRP B 559 13.995 -5.147 2.275 1.00 2.97 H new ATOM 0 HE3 TRP B 559 13.491 -1.351 6.050 1.00 2.00 H new ATOM 0 HZ2 TRP B 559 16.381 -3.738 2.762 1.00 3.11 H new ATOM 0 HZ3 TRP B 559 15.864 -0.748 5.778 1.00 2.76 H new ATOM 0 HH2 TRP B 559 17.288 -1.928 4.155 1.00 3.08 H new ATOM 1310 N LYS B 560 8.927 -1.244 6.438 1.00 0.00 N ATOM 1311 CA LYS B 560 7.766 -1.019 7.282 1.00 0.00 C ATOM 1312 C LYS B 560 6.626 -0.373 6.494 1.00 0.00 C ATOM 1313 O LYS B 560 5.460 -0.679 6.711 1.00 0.00 O ATOM 1314 CB LYS B 560 8.140 -0.138 8.475 1.00 0.01 C ATOM 1315 CG LYS B 560 9.214 -0.744 9.364 1.00 1.26 C ATOM 1316 CD LYS B 560 9.488 0.124 10.585 1.00 1.83 C ATOM 1317 CE LYS B 560 10.099 1.462 10.197 1.00 2.58 C ATOM 1318 NZ LYS B 560 11.412 1.298 9.517 1.00 3.32 N ATOM 0 H LYS B 560 9.785 -0.809 6.777 1.00 0.00 H new ATOM 0 HA LYS B 560 7.424 -1.988 7.645 1.00 0.00 H new ATOM 0 HB2 LYS B 560 8.486 0.828 8.108 1.00 0.01 H new ATOM 0 HB3 LYS B 560 7.248 0.049 9.073 1.00 0.01 H new ATOM 0 HG2 LYS B 560 8.902 -1.738 9.686 1.00 1.26 H new ATOM 0 HG3 LYS B 560 10.133 -0.868 8.792 1.00 1.26 H new ATOM 0 HD2 LYS B 560 8.558 0.292 11.128 1.00 1.83 H new ATOM 0 HD3 LYS B 560 10.162 -0.402 11.262 1.00 1.83 H new ATOM 0 HE2 LYS B 560 9.414 1.996 9.539 1.00 2.58 H new ATOM 0 HE3 LYS B 560 10.227 2.075 11.089 1.00 2.58 H new ATOM 0 HZ1 LYS B 560 11.902 2.215 9.482 1.00 3.32 H new ATOM 0 HZ2 LYS B 560 11.993 0.615 10.044 1.00 3.32 H new ATOM 0 HZ3 LYS B 560 11.260 0.949 8.549 1.00 3.32 H new ATOM 1332 N PHE B 561 6.957 0.520 5.570 1.00 0.00 N ATOM 1333 CA PHE B 561 5.914 1.090 4.729 1.00 0.00 C ATOM 1334 C PHE B 561 5.432 0.093 3.657 1.00 0.00 C ATOM 1335 O PHE B 561 4.233 -0.060 3.440 1.00 0.00 O ATOM 1336 CB PHE B 561 6.411 2.376 4.056 1.00 0.03 C ATOM 1337 CG PHE B 561 5.329 3.398 3.818 1.00 0.40 C ATOM 1338 CD1 PHE B 561 4.190 3.061 3.105 1.00 0.95 C ATOM 1339 CD2 PHE B 561 5.447 4.691 4.310 1.00 0.98 C ATOM 1340 CE1 PHE B 561 3.191 3.989 2.883 1.00 1.18 C ATOM 1341 CE2 PHE B 561 4.450 5.625 4.090 1.00 1.25 C ATOM 1342 CZ PHE B 561 3.343 5.299 3.381 1.00 1.14 C ATOM 0 H PHE B 561 7.903 0.855 5.388 1.00 0.00 H new ATOM 0 HA PHE B 561 5.068 1.323 5.376 1.00 0.00 H new ATOM 0 HB2 PHE B 561 7.188 2.822 4.676 1.00 0.03 H new ATOM 0 HB3 PHE B 561 6.872 2.120 3.102 1.00 0.03 H new ATOM 0 HD1 PHE B 561 4.082 2.059 2.717 1.00 0.95 H new ATOM 0 HD2 PHE B 561 6.327 4.971 4.871 1.00 0.98 H new ATOM 0 HE1 PHE B 561 2.303 3.714 2.334 1.00 1.18 H new ATOM 0 HE2 PHE B 561 4.556 6.624 4.488 1.00 1.25 H new ATOM 0 HZ PHE B 561 2.579 6.040 3.198 1.00 1.14 H new ATOM 1352 N LEU B 562 6.374 -0.579 2.997 1.00 0.00 N ATOM 1353 CA LEU B 562 6.061 -1.621 2.038 1.00 0.00 C ATOM 1354 C LEU B 562 5.078 -2.619 2.644 1.00 0.00 C ATOM 1355 O LEU B 562 3.984 -2.805 2.118 1.00 0.00 O ATOM 1356 CB LEU B 562 7.337 -2.323 1.564 1.00 0.03 C ATOM 1357 CG LEU B 562 7.177 -3.245 0.347 1.00 0.45 C ATOM 1358 CD1 LEU B 562 6.155 -2.692 -0.638 1.00 1.32 C ATOM 1359 CD2 LEU B 562 8.517 -3.433 -0.344 1.00 1.23 C ATOM 0 H LEU B 562 7.373 -0.412 3.116 1.00 0.00 H new ATOM 0 HA LEU B 562 5.590 -1.163 1.168 1.00 0.00 H new ATOM 0 HB2 LEU B 562 8.081 -1.563 1.325 1.00 0.03 H new ATOM 0 HB3 LEU B 562 7.736 -2.910 2.391 1.00 0.03 H new ATOM 0 HG LEU B 562 6.815 -4.210 0.702 1.00 0.45 H new ATOM 0 HD11 LEU B 562 6.066 -3.369 -1.488 1.00 1.32 H new ATOM 0 HD12 LEU B 562 5.187 -2.599 -0.145 1.00 1.32 H new ATOM 0 HD13 LEU B 562 6.480 -1.712 -0.987 1.00 1.32 H new ATOM 0 HD21 LEU B 562 8.393 -4.089 -1.206 1.00 1.23 H new ATOM 0 HD22 LEU B 562 8.895 -2.466 -0.675 1.00 1.23 H new ATOM 0 HD23 LEU B 562 9.226 -3.880 0.353 1.00 1.23 H new ATOM 1371 N LYS B 563 5.467 -3.249 3.752 1.00 0.00 N ATOM 1372 CA LYS B 563 4.600 -4.215 4.444 1.00 0.00 C ATOM 1373 C LYS B 563 3.183 -3.694 4.717 1.00 0.00 C ATOM 1374 O LYS B 563 2.197 -4.432 4.605 1.00 0.00 O ATOM 1375 CB LYS B 563 5.248 -4.685 5.752 1.00 0.03 C ATOM 1376 CG LYS B 563 5.289 -3.627 6.842 1.00 1.29 C ATOM 1377 CD LYS B 563 5.732 -4.220 8.171 1.00 1.53 C ATOM 1378 CE LYS B 563 5.670 -3.193 9.290 1.00 2.10 C ATOM 1379 NZ LYS B 563 4.301 -2.633 9.455 1.00 2.74 N ATOM 0 H LYS B 563 6.376 -3.111 4.193 1.00 0.00 H new ATOM 0 HA LYS B 563 4.492 -5.057 3.760 1.00 0.00 H new ATOM 0 HB2 LYS B 563 4.702 -5.552 6.124 1.00 0.03 H new ATOM 0 HB3 LYS B 563 6.266 -5.014 5.542 1.00 0.03 H new ATOM 0 HG2 LYS B 563 5.972 -2.829 6.552 1.00 1.29 H new ATOM 0 HG3 LYS B 563 4.302 -3.177 6.953 1.00 1.29 H new ATOM 0 HD2 LYS B 563 5.097 -5.070 8.421 1.00 1.53 H new ATOM 0 HD3 LYS B 563 6.750 -4.599 8.080 1.00 1.53 H new ATOM 0 HE2 LYS B 563 5.988 -3.655 10.225 1.00 2.10 H new ATOM 0 HE3 LYS B 563 6.370 -2.384 9.080 1.00 2.10 H new ATOM 0 HZ1 LYS B 563 4.240 -2.126 10.361 1.00 2.74 H new ATOM 0 HZ2 LYS B 563 4.099 -1.975 8.675 1.00 2.74 H new ATOM 0 HZ3 LYS B 563 3.606 -3.407 9.444 1.00 2.74 H new ATOM 1393 N THR B 564 3.096 -2.410 5.074 1.00 0.00 N ATOM 1394 CA THR B 564 1.834 -1.782 5.448 1.00 0.00 C ATOM 1395 C THR B 564 0.949 -1.595 4.221 1.00 0.00 C ATOM 1396 O THR B 564 -0.273 -1.767 4.273 1.00 0.00 O ATOM 1397 CB THR B 564 2.060 -0.415 6.121 1.00 0.03 C ATOM 1398 OG1 THR B 564 2.917 -0.564 7.259 1.00 1.17 O ATOM 1399 CG2 THR B 564 0.739 0.202 6.556 1.00 1.24 C ATOM 0 H THR B 564 3.898 -1.781 5.111 1.00 0.00 H new ATOM 0 HA THR B 564 1.341 -2.443 6.161 1.00 0.00 H new ATOM 0 HB THR B 564 2.531 0.247 5.394 1.00 0.03 H new ATOM 0 HG1 THR B 564 3.814 -0.822 6.961 1.00 1.17 H new ATOM 0 HG21 THR B 564 0.926 1.166 7.028 1.00 1.24 H new ATOM 0 HG22 THR B 564 0.099 0.342 5.685 1.00 1.24 H new ATOM 0 HG23 THR B 564 0.245 -0.460 7.267 1.00 1.24 H new ATOM 1407 N VAL B 565 1.573 -1.224 3.117 1.00 0.00 N ATOM 1408 CA VAL B 565 0.882 -1.145 1.840 1.00 0.00 C ATOM 1409 C VAL B 565 0.350 -2.513 1.371 1.00 0.00 C ATOM 1410 O VAL B 565 -0.763 -2.604 0.859 1.00 0.00 O ATOM 1411 CB VAL B 565 1.795 -0.554 0.752 1.00 0.06 C ATOM 1412 CG1 VAL B 565 1.080 -0.520 -0.593 1.00 1.19 C ATOM 1413 CG2 VAL B 565 2.259 0.838 1.156 1.00 1.18 C ATOM 0 H VAL B 565 2.561 -0.972 3.078 1.00 0.00 H new ATOM 0 HA VAL B 565 0.028 -0.486 1.997 1.00 0.00 H new ATOM 0 HB VAL B 565 2.672 -1.193 0.648 1.00 0.06 H new ATOM 0 HG11 VAL B 565 1.744 -0.098 -1.348 1.00 1.19 H new ATOM 0 HG12 VAL B 565 0.799 -1.533 -0.882 1.00 1.19 H new ATOM 0 HG13 VAL B 565 0.184 0.096 -0.513 1.00 1.19 H new ATOM 0 HG21 VAL B 565 2.905 1.246 0.378 1.00 1.18 H new ATOM 0 HG22 VAL B 565 1.393 1.487 1.286 1.00 1.18 H new ATOM 0 HG23 VAL B 565 2.812 0.779 2.093 1.00 1.18 H new ATOM 1423 N VAL B 566 1.147 -3.561 1.548 1.00 0.00 N ATOM 1424 CA VAL B 566 0.755 -4.879 1.067 1.00 0.00 C ATOM 1425 C VAL B 566 -0.384 -5.447 1.904 1.00 0.00 C ATOM 1426 O VAL B 566 -1.413 -5.873 1.369 1.00 0.00 O ATOM 1427 CB VAL B 566 1.940 -5.865 1.090 1.00 0.04 C ATOM 1428 CG1 VAL B 566 1.547 -7.190 0.456 1.00 1.36 C ATOM 1429 CG2 VAL B 566 3.146 -5.270 0.378 1.00 1.36 C ATOM 0 H VAL B 566 2.054 -3.525 2.013 1.00 0.00 H new ATOM 0 HA VAL B 566 0.421 -4.755 0.037 1.00 0.00 H new ATOM 0 HB VAL B 566 2.211 -6.049 2.130 1.00 0.04 H new ATOM 0 HG11 VAL B 566 2.397 -7.872 0.482 1.00 1.36 H new ATOM 0 HG12 VAL B 566 0.715 -7.626 1.009 1.00 1.36 H new ATOM 0 HG13 VAL B 566 1.247 -7.024 -0.579 1.00 1.36 H new ATOM 0 HG21 VAL B 566 3.972 -5.981 0.405 1.00 1.36 H new ATOM 0 HG22 VAL B 566 2.887 -5.054 -0.658 1.00 1.36 H new ATOM 0 HG23 VAL B 566 3.445 -4.348 0.877 1.00 1.36 H new ATOM 1439 N ASN B 567 -0.204 -5.433 3.217 1.00 0.00 N ATOM 1440 CA ASN B 567 -1.296 -5.756 4.118 1.00 0.00 C ATOM 1441 C ASN B 567 -2.564 -4.942 3.802 1.00 0.00 C ATOM 1442 O ASN B 567 -3.674 -5.446 3.906 1.00 0.00 O ATOM 1443 CB ASN B 567 -0.873 -5.511 5.567 1.00 0.01 C ATOM 1444 CG ASN B 567 -1.947 -5.913 6.558 1.00 1.12 C ATOM 1445 OD1 ASN B 567 -2.807 -5.110 6.920 1.00 1.94 O ATOM 1446 ND2 ASN B 567 -1.902 -7.163 7.003 1.00 1.91 N ATOM 0 H ASN B 567 0.678 -5.204 3.676 1.00 0.00 H new ATOM 0 HA ASN B 567 -1.533 -6.810 3.977 1.00 0.00 H new ATOM 0 HB2 ASN B 567 0.039 -6.071 5.776 1.00 0.01 H new ATOM 0 HB3 ASN B 567 -0.636 -4.455 5.700 1.00 0.01 H new ATOM 0 HD21 ASN B 567 -2.598 -7.492 7.672 1.00 1.91 H new ATOM 0 HD22 ASN B 567 -1.171 -7.795 6.676 1.00 1.91 H new ATOM 1453 N LYS B 568 -2.393 -3.681 3.421 1.00 0.00 N ATOM 1454 CA LYS B 568 -3.539 -2.830 3.120 1.00 0.00 C ATOM 1455 C LYS B 568 -4.156 -3.255 1.800 1.00 0.00 C ATOM 1456 O LYS B 568 -5.362 -3.142 1.614 1.00 0.00 O ATOM 1457 CB LYS B 568 -3.119 -1.360 3.067 1.00 0.02 C ATOM 1458 CG LYS B 568 -4.253 -0.402 2.725 1.00 0.94 C ATOM 1459 CD LYS B 568 -5.440 -0.549 3.670 1.00 1.74 C ATOM 1460 CE LYS B 568 -5.090 -0.149 5.097 1.00 2.68 C ATOM 1461 NZ LYS B 568 -4.393 -1.243 5.829 1.00 3.53 N ATOM 0 H LYS B 568 -1.485 -3.230 3.314 1.00 0.00 H new ATOM 0 HA LYS B 568 -4.280 -2.941 3.912 1.00 0.00 H new ATOM 0 HB2 LYS B 568 -2.698 -1.078 4.032 1.00 0.02 H new ATOM 0 HB3 LYS B 568 -2.326 -1.246 2.328 1.00 0.02 H new ATOM 0 HG2 LYS B 568 -3.884 0.623 2.765 1.00 0.94 H new ATOM 0 HG3 LYS B 568 -4.582 -0.582 1.702 1.00 0.94 H new ATOM 0 HD2 LYS B 568 -6.265 0.068 3.313 1.00 1.74 H new ATOM 0 HD3 LYS B 568 -5.786 -1.583 3.658 1.00 1.74 H new ATOM 0 HE2 LYS B 568 -4.455 0.737 5.080 1.00 2.68 H new ATOM 0 HE3 LYS B 568 -6.001 0.122 5.631 1.00 2.68 H new ATOM 0 HZ1 LYS B 568 -4.472 -1.081 6.853 1.00 3.53 H new ATOM 0 HZ2 LYS B 568 -4.830 -2.155 5.588 1.00 3.53 H new ATOM 0 HZ3 LYS B 568 -3.389 -1.258 5.558 1.00 3.53 H new ATOM 1475 N LEU B 569 -3.316 -3.730 0.890 1.00 0.00 N ATOM 1476 CA LEU B 569 -3.775 -4.229 -0.391 1.00 0.00 C ATOM 1477 C LEU B 569 -4.584 -5.516 -0.158 1.00 0.00 C ATOM 1478 O LEU B 569 -5.571 -5.770 -0.841 1.00 0.00 O ATOM 1479 CB LEU B 569 -2.589 -4.519 -1.314 1.00 0.05 C ATOM 1480 CG LEU B 569 -2.374 -3.510 -2.442 1.00 1.14 C ATOM 1481 CD1 LEU B 569 -1.995 -2.150 -1.879 1.00 2.01 C ATOM 1482 CD2 LEU B 569 -1.302 -4.012 -3.397 1.00 1.89 C ATOM 0 H LEU B 569 -2.306 -3.778 1.021 1.00 0.00 H new ATOM 0 HA LEU B 569 -4.400 -3.475 -0.869 1.00 0.00 H new ATOM 0 HB2 LEU B 569 -1.683 -4.562 -0.710 1.00 0.05 H new ATOM 0 HB3 LEU B 569 -2.726 -5.507 -1.754 1.00 0.05 H new ATOM 0 HG LEU B 569 -3.308 -3.401 -2.993 1.00 1.14 H new ATOM 0 HD11 LEU B 569 -1.846 -1.446 -2.698 1.00 2.01 H new ATOM 0 HD12 LEU B 569 -2.793 -1.789 -1.231 1.00 2.01 H new ATOM 0 HD13 LEU B 569 -1.073 -2.238 -1.304 1.00 2.01 H new ATOM 0 HD21 LEU B 569 -1.157 -3.285 -4.196 1.00 1.89 H new ATOM 0 HD22 LEU B 569 -0.366 -4.146 -2.855 1.00 1.89 H new ATOM 0 HD23 LEU B 569 -1.613 -4.965 -3.825 1.00 1.89 H new ATOM 1494 N PHE B 570 -4.157 -6.321 0.813 1.00 0.00 N ATOM 1495 CA PHE B 570 -4.869 -7.553 1.147 1.00 0.00 C ATOM 1496 C PHE B 570 -6.244 -7.222 1.697 1.00 0.00 C ATOM 1497 O PHE B 570 -7.226 -7.900 1.395 1.00 0.00 O ATOM 1498 CB PHE B 570 -4.084 -8.375 2.175 1.00 0.02 C ATOM 1499 CG PHE B 570 -2.820 -8.998 1.640 1.00 1.32 C ATOM 1500 CD1 PHE B 570 -2.774 -9.536 0.362 1.00 2.04 C ATOM 1501 CD2 PHE B 570 -1.681 -9.056 2.427 1.00 1.92 C ATOM 1502 CE1 PHE B 570 -1.616 -10.116 -0.120 1.00 3.25 C ATOM 1503 CE2 PHE B 570 -0.520 -9.635 1.950 1.00 3.12 C ATOM 1504 CZ PHE B 570 -0.488 -10.166 0.675 1.00 3.77 C ATOM 0 H PHE B 570 -3.327 -6.144 1.379 1.00 0.00 H new ATOM 0 HA PHE B 570 -4.974 -8.146 0.238 1.00 0.00 H new ATOM 0 HB2 PHE B 570 -3.829 -7.732 3.018 1.00 0.02 H new ATOM 0 HB3 PHE B 570 -4.729 -9.165 2.560 1.00 0.02 H new ATOM 0 HD1 PHE B 570 -3.654 -9.501 -0.264 1.00 2.04 H new ATOM 0 HD2 PHE B 570 -1.701 -8.644 3.425 1.00 1.92 H new ATOM 0 HE1 PHE B 570 -1.593 -10.530 -1.117 1.00 3.25 H new ATOM 0 HE2 PHE B 570 0.361 -9.672 2.573 1.00 3.12 H new ATOM 0 HZ PHE B 570 0.418 -10.620 0.301 1.00 3.77 H new ATOM 1514 N GLU B 571 -6.313 -6.170 2.507 1.00 0.00 N ATOM 1515 CA GLU B 571 -7.597 -5.735 3.025 1.00 0.00 C ATOM 1516 C GLU B 571 -8.563 -5.412 1.871 1.00 0.00 C ATOM 1517 O GLU B 571 -9.660 -5.949 1.803 1.00 0.00 O ATOM 1518 CB GLU B 571 -7.424 -4.503 3.917 1.00 0.01 C ATOM 1519 CG GLU B 571 -8.724 -4.000 4.529 1.00 1.13 C ATOM 1520 CD GLU B 571 -9.346 -4.998 5.487 1.00 1.67 C ATOM 1521 OE1 GLU B 571 -10.078 -5.893 5.016 1.00 2.47 O ATOM 1522 OE2 GLU B 571 -9.099 -4.885 6.706 1.00 1.97 O ATOM 0 H GLU B 571 -5.512 -5.616 2.811 1.00 0.00 H new ATOM 0 HA GLU B 571 -8.017 -6.546 3.620 1.00 0.00 H new ATOM 0 HB2 GLU B 571 -6.725 -4.741 4.718 1.00 0.01 H new ATOM 0 HB3 GLU B 571 -6.975 -3.701 3.330 1.00 0.01 H new ATOM 0 HG2 GLU B 571 -8.534 -3.066 5.057 1.00 1.13 H new ATOM 0 HG3 GLU B 571 -9.433 -3.777 3.732 1.00 1.13 H new ATOM 1529 N PHE B 572 -8.131 -4.553 0.952 1.00 0.00 N ATOM 1530 CA PHE B 572 -8.976 -4.132 -0.141 1.00 0.00 C ATOM 1531 C PHE B 572 -9.403 -5.282 -1.087 1.00 0.00 C ATOM 1532 O PHE B 572 -10.263 -5.084 -1.934 1.00 0.00 O ATOM 1533 CB PHE B 572 -8.278 -3.040 -0.955 1.00 0.03 C ATOM 1534 CG PHE B 572 -8.267 -1.699 -0.277 1.00 0.34 C ATOM 1535 CD1 PHE B 572 -9.455 -1.044 0.004 1.00 1.03 C ATOM 1536 CD2 PHE B 572 -7.072 -1.095 0.076 1.00 1.02 C ATOM 1537 CE1 PHE B 572 -9.450 0.190 0.627 1.00 1.23 C ATOM 1538 CE2 PHE B 572 -7.063 0.139 0.698 1.00 1.21 C ATOM 1539 CZ PHE B 572 -8.253 0.782 0.973 1.00 0.99 C ATOM 0 H PHE B 572 -7.199 -4.139 0.950 1.00 0.00 H new ATOM 0 HA PHE B 572 -9.888 -3.750 0.318 1.00 0.00 H new ATOM 0 HB2 PHE B 572 -7.251 -3.346 -1.153 1.00 0.03 H new ATOM 0 HB3 PHE B 572 -8.774 -2.945 -1.921 1.00 0.03 H new ATOM 0 HD1 PHE B 572 -10.395 -1.502 -0.266 1.00 1.03 H new ATOM 0 HD2 PHE B 572 -6.138 -1.593 -0.137 1.00 1.02 H new ATOM 0 HE1 PHE B 572 -10.383 0.690 0.843 1.00 1.23 H new ATOM 0 HE2 PHE B 572 -6.125 0.600 0.969 1.00 1.21 H new ATOM 0 HZ PHE B 572 -8.247 1.747 1.458 1.00 0.99 H new ATOM 1549 N MET B 573 -8.817 -6.466 -0.944 1.00 0.00 N ATOM 1550 CA MET B 573 -9.197 -7.589 -1.780 1.00 0.00 C ATOM 1551 C MET B 573 -10.523 -8.157 -1.303 1.00 0.00 C ATOM 1552 O MET B 573 -11.112 -9.053 -1.930 1.00 0.00 O ATOM 1553 CB MET B 573 -8.120 -8.676 -1.754 1.00 0.03 C ATOM 1554 CG MET B 573 -6.832 -8.277 -2.456 1.00 0.87 C ATOM 1555 SD MET B 573 -5.619 -9.610 -2.492 1.00 1.42 S ATOM 1556 CE MET B 573 -4.238 -8.789 -3.281 1.00 2.11 C ATOM 0 H MET B 573 -8.085 -6.668 -0.263 1.00 0.00 H new ATOM 0 HA MET B 573 -9.302 -7.238 -2.807 1.00 0.00 H new ATOM 0 HB2 MET B 573 -7.895 -8.928 -0.718 1.00 0.03 H new ATOM 0 HB3 MET B 573 -8.515 -9.577 -2.223 1.00 0.03 H new ATOM 0 HG2 MET B 573 -7.059 -7.970 -3.477 1.00 0.87 H new ATOM 0 HG3 MET B 573 -6.401 -7.412 -1.952 1.00 0.87 H new ATOM 0 HE1 MET B 573 -3.406 -9.486 -3.375 1.00 2.11 H new ATOM 0 HE2 MET B 573 -4.537 -8.445 -4.271 1.00 2.11 H new ATOM 0 HE3 MET B 573 -3.929 -7.935 -2.678 1.00 2.11 H new ATOM 1566 N HIS B 574 -10.994 -7.608 -0.192 1.00 0.00 N ATOM 1567 CA HIS B 574 -12.310 -7.938 0.329 1.00 0.00 C ATOM 1568 C HIS B 574 -13.278 -6.776 0.172 1.00 0.00 C ATOM 1569 O HIS B 574 -14.435 -6.876 0.562 1.00 0.00 O ATOM 1570 CB HIS B 574 -12.215 -8.324 1.808 1.00 0.02 C ATOM 1571 CG HIS B 574 -10.970 -9.078 2.160 1.00 1.30 C ATOM 1572 ND1 HIS B 574 -10.628 -10.282 1.582 1.00 2.28 N ATOM 1573 CD2 HIS B 574 -9.982 -8.791 3.040 1.00 2.30 C ATOM 1574 CE1 HIS B 574 -9.485 -10.703 2.092 1.00 3.20 C ATOM 1575 NE2 HIS B 574 -9.071 -9.816 2.978 1.00 3.20 N ATOM 0 H HIS B 574 -10.479 -6.928 0.368 1.00 0.00 H new ATOM 0 HA HIS B 574 -12.688 -8.783 -0.247 1.00 0.00 H new ATOM 0 HB2 HIS B 574 -12.263 -7.419 2.413 1.00 0.02 H new ATOM 0 HB3 HIS B 574 -13.082 -8.930 2.072 1.00 0.02 H new ATOM 0 HD1 HIS B 574 -11.173 -10.771 0.872 1.00 2.28 H new ATOM 0 HD2 HIS B 574 -9.922 -7.918 3.673 1.00 2.30 H new ATOM 0 HE1 HIS B 574 -8.975 -11.618 1.829 1.00 3.20 H new ATOM 1584 N GLU B 575 -12.785 -5.671 -0.388 1.00 0.00 N ATOM 1585 CA GLU B 575 -13.612 -4.500 -0.647 1.00 0.00 C ATOM 1586 C GLU B 575 -14.619 -4.804 -1.743 1.00 0.00 C ATOM 1587 O GLU B 575 -14.261 -5.306 -2.810 1.00 0.00 O ATOM 1588 CB GLU B 575 -12.735 -3.303 -1.014 1.00 0.02 C ATOM 1589 CG GLU B 575 -13.455 -1.965 -0.926 1.00 0.96 C ATOM 1590 CD GLU B 575 -13.792 -1.576 0.500 1.00 1.15 C ATOM 1591 OE1 GLU B 575 -12.927 -0.977 1.174 1.00 1.55 O ATOM 1592 OE2 GLU B 575 -14.923 -1.868 0.944 1.00 1.55 O ATOM 0 H GLU B 575 -11.811 -5.566 -0.671 1.00 0.00 H new ATOM 0 HA GLU B 575 -14.164 -4.245 0.258 1.00 0.00 H new ATOM 0 HB2 GLU B 575 -11.868 -3.283 -0.353 1.00 0.02 H new ATOM 0 HB3 GLU B 575 -12.359 -3.437 -2.028 1.00 0.02 H new ATOM 0 HG2 GLU B 575 -12.831 -1.191 -1.372 1.00 0.96 H new ATOM 0 HG3 GLU B 575 -14.373 -2.011 -1.512 1.00 0.96 H new ATOM 1599 N THR B 576 -15.881 -4.490 -1.487 1.00 0.00 N ATOM 1600 CA THR B 576 -16.917 -4.801 -2.450 1.00 0.00 C ATOM 1601 C THR B 576 -17.121 -3.694 -3.488 1.00 0.00 C ATOM 1602 O THR B 576 -17.652 -3.947 -4.570 1.00 0.00 O ATOM 1603 CB THR B 576 -18.259 -5.066 -1.745 1.00 0.00 C ATOM 1604 OG1 THR B 576 -18.687 -3.891 -1.048 1.00 1.33 O ATOM 1605 CG2 THR B 576 -18.133 -6.222 -0.763 1.00 1.40 C ATOM 0 H THR B 576 -16.204 -4.029 -0.636 1.00 0.00 H new ATOM 0 HA THR B 576 -16.578 -5.696 -2.971 1.00 0.00 H new ATOM 0 HB THR B 576 -18.997 -5.329 -2.503 1.00 0.00 H new ATOM 0 HG1 THR B 576 -19.542 -4.068 -0.604 1.00 1.33 H new ATOM 0 HG21 THR B 576 -19.093 -6.392 -0.276 1.00 1.40 H new ATOM 0 HG22 THR B 576 -17.833 -7.123 -1.298 1.00 1.40 H new ATOM 0 HG23 THR B 576 -17.382 -5.980 -0.011 1.00 1.40 H new ATOM 1613 N HIS B 577 -16.701 -2.474 -3.170 1.00 0.00 N ATOM 1614 CA HIS B 577 -16.953 -1.348 -4.069 1.00 0.00 C ATOM 1615 C HIS B 577 -16.317 -1.545 -5.451 1.00 0.00 C ATOM 1616 O HIS B 577 -15.130 -1.834 -5.574 1.00 0.00 O ATOM 1617 CB HIS B 577 -16.439 -0.049 -3.448 1.00 0.04 C ATOM 1618 CG HIS B 577 -16.906 1.175 -4.172 1.00 1.15 C ATOM 1619 ND1 HIS B 577 -17.890 2.008 -3.683 1.00 2.11 N ATOM 1620 CD2 HIS B 577 -16.523 1.705 -5.360 1.00 2.04 C ATOM 1621 CE1 HIS B 577 -18.094 2.995 -4.539 1.00 2.85 C ATOM 1622 NE2 HIS B 577 -17.277 2.834 -5.563 1.00 2.79 N ATOM 0 H HIS B 577 -16.195 -2.240 -2.316 1.00 0.00 H new ATOM 0 HA HIS B 577 -18.032 -1.291 -4.209 1.00 0.00 H new ATOM 0 HB2 HIS B 577 -16.766 0.004 -2.409 1.00 0.04 H new ATOM 0 HB3 HIS B 577 -15.349 -0.064 -3.439 1.00 0.04 H new ATOM 0 HD2 HIS B 577 -15.766 1.312 -6.023 1.00 2.04 H new ATOM 0 HE1 HIS B 577 -18.808 3.797 -4.420 1.00 2.85 H new ATOM 0 HE2 HIS B 577 -17.216 3.449 -6.374 1.00 2.79 H new ATOM 1631 N ASP B 578 -17.138 -1.382 -6.485 1.00 0.00 N ATOM 1632 CA ASP B 578 -16.760 -1.694 -7.859 1.00 0.00 C ATOM 1633 C ASP B 578 -15.362 -1.179 -8.232 1.00 0.00 C ATOM 1634 O ASP B 578 -15.059 -0.002 -8.049 1.00 0.00 O ATOM 1635 CB ASP B 578 -17.795 -1.117 -8.828 1.00 0.00 C ATOM 1636 CG ASP B 578 -17.936 0.387 -8.696 1.00 1.37 C ATOM 1637 OD1 ASP B 578 -18.758 0.837 -7.871 1.00 2.04 O ATOM 1638 OD2 ASP B 578 -17.222 1.115 -9.418 1.00 2.15 O ATOM 0 H ASP B 578 -18.090 -1.028 -6.392 1.00 0.00 H new ATOM 0 HA ASP B 578 -16.731 -2.781 -7.936 1.00 0.00 H new ATOM 0 HB2 ASP B 578 -17.509 -1.364 -9.850 1.00 0.00 H new ATOM 0 HB3 ASP B 578 -18.761 -1.587 -8.645 1.00 0.00 H new ATOM 1643 N GLY B 579 -14.512 -2.083 -8.724 1.00 0.00 N ATOM 1644 CA GLY B 579 -13.191 -1.721 -9.220 1.00 0.00 C ATOM 1645 C GLY B 579 -12.038 -1.884 -8.243 1.00 0.00 C ATOM 1646 O GLY B 579 -10.927 -2.213 -8.634 1.00 0.00 O ATOM 0 H GLY B 579 -14.722 -3.079 -8.788 1.00 0.00 H new ATOM 0 HA2 GLY B 579 -12.980 -2.324 -10.103 1.00 0.00 H new ATOM 0 HA3 GLY B 579 -13.220 -0.681 -9.544 1.00 0.00 H new ATOM 1650 N VAL B 580 -12.298 -1.636 -6.966 1.00 0.00 N ATOM 1651 CA VAL B 580 -11.264 -1.660 -5.945 1.00 0.00 C ATOM 1652 C VAL B 580 -10.473 -2.960 -5.926 1.00 0.00 C ATOM 1653 O VAL B 580 -9.241 -2.942 -5.857 1.00 0.00 O ATOM 1654 CB VAL B 580 -11.867 -1.424 -4.550 1.00 0.05 C ATOM 1655 CG1 VAL B 580 -12.830 -2.543 -4.199 1.00 1.28 C ATOM 1656 CG2 VAL B 580 -10.769 -1.299 -3.504 1.00 1.29 C ATOM 0 H VAL B 580 -13.228 -1.414 -6.612 1.00 0.00 H new ATOM 0 HA VAL B 580 -10.576 -0.854 -6.201 1.00 0.00 H new ATOM 0 HB VAL B 580 -12.422 -0.486 -4.564 1.00 0.05 H new ATOM 0 HG11 VAL B 580 -13.250 -2.364 -3.209 1.00 1.28 H new ATOM 0 HG12 VAL B 580 -13.634 -2.575 -4.934 1.00 1.28 H new ATOM 0 HG13 VAL B 580 -12.298 -3.495 -4.201 1.00 1.28 H new ATOM 0 HG21 VAL B 580 -11.217 -1.132 -2.524 1.00 1.29 H new ATOM 0 HG22 VAL B 580 -10.181 -2.216 -3.483 1.00 1.29 H new ATOM 0 HG23 VAL B 580 -10.122 -0.459 -3.755 1.00 1.29 H new ATOM 1666 N GLN B 581 -11.181 -4.086 -5.981 1.00 0.00 N ATOM 1667 CA GLN B 581 -10.528 -5.395 -5.966 1.00 0.00 C ATOM 1668 C GLN B 581 -9.562 -5.580 -7.143 1.00 0.00 C ATOM 1669 O GLN B 581 -8.472 -6.117 -6.987 1.00 0.00 O ATOM 1670 CB GLN B 581 -11.571 -6.520 -5.968 1.00 0.01 C ATOM 1671 CG GLN B 581 -12.484 -6.525 -7.186 1.00 1.21 C ATOM 1672 CD GLN B 581 -13.542 -5.441 -7.133 1.00 1.41 C ATOM 1673 OE1 GLN B 581 -13.339 -4.334 -7.629 1.00 1.90 O ATOM 1674 NE2 GLN B 581 -14.682 -5.755 -6.529 1.00 1.99 N ATOM 0 H GLN B 581 -12.199 -4.120 -6.036 1.00 0.00 H new ATOM 0 HA GLN B 581 -9.943 -5.443 -5.048 1.00 0.00 H new ATOM 0 HB2 GLN B 581 -11.055 -7.478 -5.911 1.00 0.01 H new ATOM 0 HB3 GLN B 581 -12.183 -6.434 -5.070 1.00 0.01 H new ATOM 0 HG2 GLN B 581 -11.882 -6.395 -8.086 1.00 1.21 H new ATOM 0 HG3 GLN B 581 -12.970 -7.497 -7.265 1.00 1.21 H new ATOM 0 HE21 GLN B 581 -14.809 -6.686 -6.131 1.00 1.99 H new ATOM 0 HE22 GLN B 581 -15.431 -5.066 -6.463 1.00 1.99 H new ATOM 1683 N ASP B 582 -9.981 -5.145 -8.321 1.00 0.00 N ATOM 1684 CA ASP B 582 -9.101 -5.107 -9.474 1.00 0.00 C ATOM 1685 C ASP B 582 -7.887 -4.203 -9.244 1.00 0.00 C ATOM 1686 O ASP B 582 -6.774 -4.569 -9.598 1.00 0.00 O ATOM 1687 CB ASP B 582 -9.871 -4.636 -10.709 1.00 0.00 C ATOM 1688 CG ASP B 582 -9.023 -4.663 -11.964 1.00 1.21 C ATOM 1689 OD1 ASP B 582 -8.994 -5.714 -12.640 1.00 1.15 O ATOM 1690 OD2 ASP B 582 -8.387 -3.633 -12.273 1.00 2.23 O ATOM 0 H ASP B 582 -10.928 -4.813 -8.502 1.00 0.00 H new ATOM 0 HA ASP B 582 -8.733 -6.120 -9.634 1.00 0.00 H new ATOM 0 HB2 ASP B 582 -10.746 -5.270 -10.852 1.00 0.00 H new ATOM 0 HB3 ASP B 582 -10.235 -3.622 -10.542 1.00 0.00 H new ATOM 1695 N MET B 583 -8.110 -3.035 -8.640 1.00 0.00 N ATOM 1696 CA MET B 583 -7.013 -2.149 -8.291 1.00 0.00 C ATOM 1697 C MET B 583 -6.063 -2.836 -7.325 1.00 0.00 C ATOM 1698 O MET B 583 -4.845 -2.842 -7.539 1.00 0.00 O ATOM 1699 CB MET B 583 -7.544 -0.856 -7.671 1.00 0.02 C ATOM 1700 CG MET B 583 -8.440 -0.050 -8.599 1.00 1.14 C ATOM 1701 SD MET B 583 -7.546 0.668 -9.994 1.00 1.87 S ATOM 1702 CE MET B 583 -7.695 -0.637 -11.212 1.00 2.58 C ATOM 0 H MET B 583 -9.035 -2.688 -8.386 1.00 0.00 H new ATOM 0 HA MET B 583 -6.470 -1.902 -9.203 1.00 0.00 H new ATOM 0 HB2 MET B 583 -8.101 -1.100 -6.766 1.00 0.02 H new ATOM 0 HB3 MET B 583 -6.700 -0.236 -7.368 1.00 0.02 H new ATOM 0 HG2 MET B 583 -9.235 -0.693 -8.976 1.00 1.14 H new ATOM 0 HG3 MET B 583 -8.918 0.748 -8.031 1.00 1.14 H new ATOM 0 HE1 MET B 583 -6.706 -1.032 -11.445 1.00 2.58 H new ATOM 0 HE2 MET B 583 -8.320 -1.436 -10.814 1.00 2.58 H new ATOM 0 HE3 MET B 583 -8.149 -0.238 -12.119 1.00 2.58 H new ATOM 1712 N ALA B 584 -6.622 -3.418 -6.265 1.00 0.00 N ATOM 1713 CA ALA B 584 -5.814 -4.058 -5.234 1.00 0.00 C ATOM 1714 C ALA B 584 -4.913 -5.144 -5.815 1.00 0.00 C ATOM 1715 O ALA B 584 -3.734 -5.232 -5.460 1.00 0.00 O ATOM 1716 CB ALA B 584 -6.711 -4.645 -4.152 1.00 0.03 C ATOM 0 H ALA B 584 -7.628 -3.458 -6.100 1.00 0.00 H new ATOM 0 HA ALA B 584 -5.172 -3.294 -4.796 1.00 0.00 H new ATOM 0 HB1 ALA B 584 -6.096 -5.120 -3.388 1.00 0.03 H new ATOM 0 HB2 ALA B 584 -7.303 -3.850 -3.699 1.00 0.03 H new ATOM 0 HB3 ALA B 584 -7.377 -5.386 -4.594 1.00 0.03 H new ATOM 1722 N CYS B 585 -5.453 -5.953 -6.719 1.00 0.00 N ATOM 1723 CA CYS B 585 -4.675 -7.045 -7.272 1.00 0.00 C ATOM 1724 C CYS B 585 -3.637 -6.556 -8.266 1.00 0.00 C ATOM 1725 O CYS B 585 -2.510 -7.049 -8.286 1.00 0.00 O ATOM 1726 CB CYS B 585 -5.599 -8.059 -7.949 1.00 0.01 C ATOM 1727 SG CYS B 585 -4.735 -9.452 -8.713 1.00 1.50 S ATOM 0 H CYS B 585 -6.405 -5.874 -7.076 1.00 0.00 H new ATOM 0 HA CYS B 585 -4.148 -7.521 -6.445 1.00 0.00 H new ATOM 0 HB2 CYS B 585 -6.302 -8.443 -7.210 1.00 0.01 H new ATOM 0 HB3 CYS B 585 -6.186 -7.547 -8.712 1.00 0.01 H new ATOM 0 HG CYS B 585 -5.424 -10.540 -8.536 1.00 1.50 H new ATOM 1733 N ASP B 586 -4.026 -5.592 -9.100 1.00 0.00 N ATOM 1734 CA ASP B 586 -3.141 -5.025 -10.109 1.00 0.00 C ATOM 1735 C ASP B 586 -1.896 -4.397 -9.488 1.00 0.00 C ATOM 1736 O ASP B 586 -0.785 -4.635 -9.950 1.00 0.00 O ATOM 1737 CB ASP B 586 -3.887 -3.981 -10.941 1.00 0.01 C ATOM 1738 CG ASP B 586 -3.012 -3.361 -12.012 1.00 0.98 C ATOM 1739 OD1 ASP B 586 -2.353 -2.340 -11.724 1.00 1.98 O ATOM 1740 OD2 ASP B 586 -2.985 -3.897 -13.141 1.00 0.87 O ATOM 0 H ASP B 586 -4.961 -5.185 -9.093 1.00 0.00 H new ATOM 0 HA ASP B 586 -2.817 -5.842 -10.753 1.00 0.00 H new ATOM 0 HB2 ASP B 586 -4.755 -4.446 -11.409 1.00 0.01 H new ATOM 0 HB3 ASP B 586 -4.262 -3.197 -10.283 1.00 0.01 H new ATOM 1745 N THR B 587 -2.104 -3.607 -8.432 1.00 0.00 N ATOM 1746 CA THR B 587 -1.034 -3.003 -7.668 1.00 0.00 C ATOM 1747 C THR B 587 -0.170 -4.073 -7.031 1.00 0.00 C ATOM 1748 O THR B 587 1.062 -3.978 -7.012 1.00 0.00 O ATOM 1749 CB THR B 587 -1.578 -2.065 -6.575 1.00 0.03 C ATOM 1750 OG1 THR B 587 -2.455 -1.092 -7.156 1.00 1.24 O ATOM 1751 CG2 THR B 587 -0.442 -1.358 -5.852 1.00 1.30 C ATOM 0 H THR B 587 -3.035 -3.372 -8.087 1.00 0.00 H new ATOM 0 HA THR B 587 -0.433 -2.412 -8.360 1.00 0.00 H new ATOM 0 HB THR B 587 -2.129 -2.668 -5.853 1.00 0.03 H new ATOM 0 HG1 THR B 587 -3.314 -1.512 -7.370 1.00 1.24 H new ATOM 0 HG21 THR B 587 -0.852 -0.701 -5.085 1.00 1.30 H new ATOM 0 HG22 THR B 587 0.209 -2.098 -5.386 1.00 1.30 H new ATOM 0 HG23 THR B 587 0.132 -0.768 -6.566 1.00 1.30 H new ATOM 1759 N PHE B 588 -0.814 -5.108 -6.515 1.00 0.00 N ATOM 1760 CA PHE B 588 -0.096 -6.176 -5.828 1.00 0.00 C ATOM 1761 C PHE B 588 0.882 -6.873 -6.767 1.00 0.00 C ATOM 1762 O PHE B 588 1.940 -7.343 -6.346 1.00 0.00 O ATOM 1763 CB PHE B 588 -1.083 -7.196 -5.253 1.00 0.02 C ATOM 1764 CG PHE B 588 -0.420 -8.312 -4.496 1.00 0.16 C ATOM 1765 CD1 PHE B 588 0.090 -8.096 -3.226 1.00 0.40 C ATOM 1766 CD2 PHE B 588 -0.303 -9.574 -5.056 1.00 0.45 C ATOM 1767 CE1 PHE B 588 0.701 -9.121 -2.527 1.00 0.49 C ATOM 1768 CE2 PHE B 588 0.308 -10.601 -4.363 1.00 0.51 C ATOM 1769 CZ PHE B 588 0.812 -10.374 -3.097 1.00 0.53 C ATOM 0 H PHE B 588 -1.825 -5.233 -6.557 1.00 0.00 H new ATOM 0 HA PHE B 588 0.472 -5.728 -5.013 1.00 0.00 H new ATOM 0 HB2 PHE B 588 -1.779 -6.682 -4.591 1.00 0.02 H new ATOM 0 HB3 PHE B 588 -1.671 -7.619 -6.067 1.00 0.02 H new ATOM 0 HD1 PHE B 588 0.010 -7.117 -2.777 1.00 0.40 H new ATOM 0 HD2 PHE B 588 -0.694 -9.757 -6.046 1.00 0.45 H new ATOM 0 HE1 PHE B 588 1.091 -8.942 -1.536 1.00 0.49 H new ATOM 0 HE2 PHE B 588 0.392 -11.580 -4.811 1.00 0.51 H new ATOM 0 HZ PHE B 588 1.292 -11.175 -2.554 1.00 0.53 H new ATOM 1779 N ILE B 589 0.546 -6.951 -8.044 1.00 0.00 N ATOM 1780 CA ILE B 589 1.425 -7.698 -8.903 1.00 0.00 C ATOM 1781 C ILE B 589 2.627 -6.843 -9.280 1.00 0.00 C ATOM 1782 O ILE B 589 3.743 -7.345 -9.374 1.00 0.00 O ATOM 1783 CB ILE B 589 0.704 -8.173 -10.183 1.00 0.03 C ATOM 1784 CG1 ILE B 589 -0.470 -9.095 -9.828 1.00 1.34 C ATOM 1785 CG2 ILE B 589 1.678 -8.878 -11.118 1.00 1.31 C ATOM 1786 CD1 ILE B 589 -0.060 -10.376 -9.125 1.00 1.97 C ATOM 0 H ILE B 589 -0.276 -6.533 -8.481 1.00 0.00 H new ATOM 0 HA ILE B 589 1.755 -8.581 -8.356 1.00 0.00 H new ATOM 0 HB ILE B 589 0.309 -7.298 -10.700 1.00 0.03 H new ATOM 0 HG12 ILE B 589 -1.166 -8.550 -9.191 1.00 1.34 H new ATOM 0 HG13 ILE B 589 -1.007 -9.350 -10.742 1.00 1.34 H new ATOM 0 HG21 ILE B 589 1.150 -9.205 -12.014 1.00 1.31 H new ATOM 0 HG22 ILE B 589 2.476 -8.190 -11.398 1.00 1.31 H new ATOM 0 HG23 ILE B 589 2.106 -9.744 -10.612 1.00 1.31 H new ATOM 0 HD11 ILE B 589 -0.947 -10.972 -8.909 1.00 1.97 H new ATOM 0 HD12 ILE B 589 0.612 -10.945 -9.768 1.00 1.97 H new ATOM 0 HD13 ILE B 589 0.450 -10.132 -8.193 1.00 1.97 H new ATOM 1798 N LYS B 590 2.395 -5.545 -9.461 1.00 0.00 N ATOM 1799 CA LYS B 590 3.471 -4.610 -9.741 1.00 0.00 C ATOM 1800 C LYS B 590 4.479 -4.704 -8.595 1.00 0.00 C ATOM 1801 O LYS B 590 5.669 -4.884 -8.812 1.00 0.00 O ATOM 1802 CB LYS B 590 2.939 -3.181 -9.870 1.00 0.01 C ATOM 1803 CG LYS B 590 2.037 -2.975 -11.074 1.00 0.99 C ATOM 1804 CD LYS B 590 1.569 -1.533 -11.183 1.00 1.52 C ATOM 1805 CE LYS B 590 0.716 -1.321 -12.423 1.00 2.04 C ATOM 1806 NZ LYS B 590 1.470 -1.614 -13.673 1.00 2.62 N ATOM 0 H LYS B 590 1.468 -5.121 -9.418 1.00 0.00 H new ATOM 0 HA LYS B 590 3.945 -4.863 -10.689 1.00 0.00 H new ATOM 0 HB2 LYS B 590 2.388 -2.924 -8.965 1.00 0.01 H new ATOM 0 HB3 LYS B 590 3.782 -2.493 -9.936 1.00 0.01 H new ATOM 0 HG2 LYS B 590 2.572 -3.254 -11.982 1.00 0.99 H new ATOM 0 HG3 LYS B 590 1.172 -3.634 -10.998 1.00 0.99 H new ATOM 0 HD2 LYS B 590 0.996 -1.266 -10.295 1.00 1.52 H new ATOM 0 HD3 LYS B 590 2.433 -0.870 -11.216 1.00 1.52 H new ATOM 0 HE2 LYS B 590 -0.164 -1.962 -12.372 1.00 2.04 H new ATOM 0 HE3 LYS B 590 0.360 -0.291 -12.447 1.00 2.04 H new ATOM 0 HZ1 LYS B 590 0.973 -1.194 -14.484 1.00 2.62 H new ATOM 0 HZ2 LYS B 590 2.426 -1.210 -13.605 1.00 2.62 H new ATOM 0 HZ3 LYS B 590 1.538 -2.643 -13.804 1.00 2.62 H new ATOM 1820 N ILE B 591 3.973 -4.618 -7.376 1.00 0.00 N ATOM 1821 CA ILE B 591 4.791 -4.624 -6.165 1.00 0.00 C ATOM 1822 C ILE B 591 5.548 -5.936 -5.969 1.00 0.00 C ATOM 1823 O ILE B 591 6.730 -5.936 -5.632 1.00 0.00 O ATOM 1824 CB ILE B 591 3.928 -4.354 -4.913 1.00 0.04 C ATOM 1825 CG1 ILE B 591 3.294 -2.964 -4.993 1.00 1.27 C ATOM 1826 CG2 ILE B 591 4.764 -4.489 -3.646 1.00 1.28 C ATOM 1827 CD1 ILE B 591 2.265 -2.705 -3.913 1.00 1.96 C ATOM 0 H ILE B 591 2.973 -4.541 -7.193 1.00 0.00 H new ATOM 0 HA ILE B 591 5.522 -3.826 -6.294 1.00 0.00 H new ATOM 0 HB ILE B 591 3.131 -5.096 -4.877 1.00 0.04 H new ATOM 0 HG12 ILE B 591 4.079 -2.211 -4.923 1.00 1.27 H new ATOM 0 HG13 ILE B 591 2.823 -2.844 -5.969 1.00 1.27 H new ATOM 0 HG21 ILE B 591 4.138 -4.295 -2.775 1.00 1.28 H new ATOM 0 HG22 ILE B 591 5.170 -5.499 -3.584 1.00 1.28 H new ATOM 0 HG23 ILE B 591 5.583 -3.770 -3.672 1.00 1.28 H new ATOM 0 HD11 ILE B 591 1.858 -1.701 -4.032 1.00 1.96 H new ATOM 0 HD12 ILE B 591 1.460 -3.435 -3.995 1.00 1.96 H new ATOM 0 HD13 ILE B 591 2.736 -2.792 -2.934 1.00 1.96 H new ATOM 1839 N ALA B 592 4.879 -7.058 -6.186 1.00 0.00 N ATOM 1840 CA ALA B 592 5.545 -8.354 -6.071 1.00 0.00 C ATOM 1841 C ALA B 592 6.653 -8.529 -7.105 1.00 0.00 C ATOM 1842 O ALA B 592 7.695 -9.085 -6.796 1.00 0.00 O ATOM 1843 CB ALA B 592 4.527 -9.476 -6.198 1.00 0.00 C ATOM 0 H ALA B 592 3.892 -7.103 -6.439 1.00 0.00 H new ATOM 0 HA ALA B 592 6.012 -8.394 -5.087 1.00 0.00 H new ATOM 0 HB1 ALA B 592 5.033 -10.438 -6.111 1.00 0.00 H new ATOM 0 HB2 ALA B 592 3.784 -9.384 -5.406 1.00 0.00 H new ATOM 0 HB3 ALA B 592 4.034 -9.412 -7.168 1.00 0.00 H new ATOM 1849 N GLN B 593 6.438 -8.063 -8.332 1.00 0.00 N ATOM 1850 CA GLN B 593 7.525 -8.106 -9.312 1.00 0.00 C ATOM 1851 C GLN B 593 8.701 -7.236 -8.825 1.00 0.00 C ATOM 1852 O GLN B 593 9.756 -7.732 -8.460 1.00 0.00 O ATOM 1853 CB GLN B 593 7.040 -7.620 -10.679 1.00 0.01 C ATOM 1854 CG GLN B 593 6.021 -8.542 -11.328 1.00 1.09 C ATOM 1855 CD GLN B 593 5.531 -8.020 -12.665 1.00 1.64 C ATOM 1856 OE1 GLN B 593 6.255 -7.322 -13.376 1.00 2.36 O ATOM 1857 NE2 GLN B 593 4.296 -8.359 -13.016 1.00 2.26 N ATOM 0 H GLN B 593 5.560 -7.666 -8.665 1.00 0.00 H new ATOM 0 HA GLN B 593 7.861 -9.138 -9.416 1.00 0.00 H new ATOM 0 HB2 GLN B 593 6.601 -6.629 -10.568 1.00 0.01 H new ATOM 0 HB3 GLN B 593 7.898 -7.516 -11.343 1.00 0.01 H new ATOM 0 HG2 GLN B 593 6.465 -9.528 -11.468 1.00 1.09 H new ATOM 0 HG3 GLN B 593 5.171 -8.667 -10.657 1.00 1.09 H new ATOM 0 HE21 GLN B 593 3.731 -8.939 -12.396 1.00 2.26 H new ATOM 0 HE22 GLN B 593 3.913 -8.039 -13.905 1.00 2.26 H new ATOM 1866 N LYS B 594 8.487 -5.926 -8.837 1.00 0.00 N ATOM 1867 CA LYS B 594 9.501 -4.951 -8.485 1.00 0.00 C ATOM 1868 C LYS B 594 10.149 -5.101 -7.091 1.00 0.00 C ATOM 1869 O LYS B 594 11.267 -4.648 -6.895 1.00 0.00 O ATOM 1870 CB LYS B 594 8.925 -3.541 -8.618 1.00 0.01 C ATOM 1871 CG LYS B 594 9.172 -2.907 -9.980 1.00 0.52 C ATOM 1872 CD LYS B 594 8.333 -3.557 -11.070 1.00 1.21 C ATOM 1873 CE LYS B 594 6.894 -3.071 -11.033 1.00 1.59 C ATOM 1874 NZ LYS B 594 6.066 -3.704 -12.098 1.00 2.19 N ATOM 0 H LYS B 594 7.592 -5.510 -9.095 1.00 0.00 H new ATOM 0 HA LYS B 594 10.310 -5.139 -9.191 1.00 0.00 H new ATOM 0 HB2 LYS B 594 7.851 -3.577 -8.433 1.00 0.01 H new ATOM 0 HB3 LYS B 594 9.360 -2.906 -7.847 1.00 0.01 H new ATOM 0 HG2 LYS B 594 8.942 -1.843 -9.932 1.00 0.52 H new ATOM 0 HG3 LYS B 594 10.228 -2.994 -10.235 1.00 0.52 H new ATOM 0 HD2 LYS B 594 8.767 -3.336 -12.045 1.00 1.21 H new ATOM 0 HD3 LYS B 594 8.355 -4.640 -10.950 1.00 1.21 H new ATOM 0 HE2 LYS B 594 6.461 -3.292 -10.057 1.00 1.59 H new ATOM 0 HE3 LYS B 594 6.873 -1.988 -11.153 1.00 1.59 H new ATOM 0 HZ1 LYS B 594 5.091 -3.346 -12.039 1.00 2.19 H new ATOM 0 HZ2 LYS B 594 6.464 -3.472 -13.031 1.00 2.19 H new ATOM 0 HZ3 LYS B 594 6.064 -4.736 -11.969 1.00 2.19 H new ATOM 1888 N CYS B 595 9.477 -5.738 -6.134 1.00 0.00 N ATOM 1889 CA CYS B 595 10.052 -5.877 -4.792 1.00 0.00 C ATOM 1890 C CYS B 595 10.210 -7.318 -4.325 1.00 0.00 C ATOM 1891 O CYS B 595 10.280 -7.598 -3.129 1.00 0.00 O ATOM 1892 CB CYS B 595 9.201 -5.103 -3.784 1.00 0.01 C ATOM 1893 SG CYS B 595 9.081 -3.331 -4.132 1.00 1.26 S ATOM 0 H CYS B 595 8.555 -6.158 -6.254 1.00 0.00 H new ATOM 0 HA CYS B 595 11.059 -5.465 -4.852 1.00 0.00 H new ATOM 0 HB2 CYS B 595 8.198 -5.529 -3.768 1.00 0.01 H new ATOM 0 HB3 CYS B 595 9.621 -5.240 -2.788 1.00 0.01 H new ATOM 0 HG CYS B 595 8.340 -2.761 -3.229 1.00 1.26 H new ATOM 1899 N ARG B 596 10.322 -8.219 -5.288 1.00 0.00 N ATOM 1900 CA ARG B 596 10.319 -9.659 -5.026 1.00 0.00 C ATOM 1901 C ARG B 596 11.258 -10.139 -3.902 1.00 0.00 C ATOM 1902 O ARG B 596 10.905 -11.049 -3.147 1.00 0.00 O ATOM 1903 CB ARG B 596 10.655 -10.414 -6.314 1.00 0.01 C ATOM 1904 CG ARG B 596 12.053 -10.134 -6.841 1.00 1.21 C ATOM 1905 CD ARG B 596 12.386 -11.018 -8.033 1.00 1.42 C ATOM 1906 NE ARG B 596 13.756 -10.817 -8.502 1.00 2.09 N ATOM 1907 CZ ARG B 596 14.385 -11.650 -9.327 1.00 2.60 C ATOM 1908 NH1 ARG B 596 13.773 -12.741 -9.771 1.00 2.53 N ATOM 1909 NH2 ARG B 596 15.629 -11.396 -9.710 1.00 3.58 N ATOM 0 H ARG B 596 10.418 -7.978 -6.275 1.00 0.00 H new ATOM 0 HA ARG B 596 9.311 -9.876 -4.673 1.00 0.00 H new ATOM 0 HB2 ARG B 596 10.552 -11.484 -6.134 1.00 0.01 H new ATOM 0 HB3 ARG B 596 9.927 -10.148 -7.081 1.00 0.01 H new ATOM 0 HG2 ARG B 596 12.131 -9.086 -7.131 1.00 1.21 H new ATOM 0 HG3 ARG B 596 12.782 -10.300 -6.048 1.00 1.21 H new ATOM 0 HD2 ARG B 596 12.247 -12.064 -7.758 1.00 1.42 H new ATOM 0 HD3 ARG B 596 11.691 -10.807 -8.845 1.00 1.42 H new ATOM 0 HE ARG B 596 14.259 -9.991 -8.178 1.00 2.09 H new ATOM 0 HH11 ARG B 596 12.817 -12.944 -9.480 1.00 2.53 H new ATOM 0 HH12 ARG B 596 14.259 -13.377 -10.403 1.00 2.53 H new ATOM 0 HH21 ARG B 596 16.106 -10.560 -9.372 1.00 3.58 H new ATOM 0 HH22 ARG B 596 16.109 -12.036 -10.343 1.00 3.58 H new ATOM 1923 N ARG B 597 12.452 -9.558 -3.791 1.00 0.00 N ATOM 1924 CA ARG B 597 13.429 -10.038 -2.802 1.00 0.00 C ATOM 1925 C ARG B 597 13.025 -9.745 -1.374 1.00 0.00 C ATOM 1926 O ARG B 597 13.342 -10.504 -0.457 1.00 0.00 O ATOM 1927 CB ARG B 597 14.802 -9.429 -3.081 1.00 0.01 C ATOM 1928 CG ARG B 597 15.341 -9.758 -4.463 1.00 1.27 C ATOM 1929 CD ARG B 597 16.769 -9.265 -4.633 1.00 1.71 C ATOM 1930 NE ARG B 597 16.886 -7.832 -4.382 1.00 2.17 N ATOM 1931 CZ ARG B 597 17.987 -7.127 -4.630 1.00 2.92 C ATOM 1932 NH1 ARG B 597 19.060 -7.720 -5.134 1.00 3.29 N ATOM 1933 NH2 ARG B 597 18.013 -5.826 -4.372 1.00 3.74 N ATOM 0 H ARG B 597 12.766 -8.771 -4.358 1.00 0.00 H new ATOM 0 HA ARG B 597 13.468 -11.122 -2.907 1.00 0.00 H new ATOM 0 HB2 ARG B 597 14.739 -8.346 -2.972 1.00 0.01 H new ATOM 0 HB3 ARG B 597 15.508 -9.784 -2.330 1.00 0.01 H new ATOM 0 HG2 ARG B 597 15.305 -10.836 -4.622 1.00 1.27 H new ATOM 0 HG3 ARG B 597 14.704 -9.302 -5.221 1.00 1.27 H new ATOM 0 HD2 ARG B 597 17.423 -9.807 -3.951 1.00 1.71 H new ATOM 0 HD3 ARG B 597 17.111 -9.485 -5.644 1.00 1.71 H new ATOM 0 HE ARG B 597 16.079 -7.344 -3.995 1.00 2.17 H new ATOM 0 HH11 ARG B 597 19.044 -8.720 -5.333 1.00 3.29 H new ATOM 0 HH12 ARG B 597 19.902 -7.176 -5.323 1.00 3.29 H new ATOM 0 HH21 ARG B 597 17.189 -5.367 -3.984 1.00 3.74 H new ATOM 0 HH22 ARG B 597 18.857 -5.285 -4.562 1.00 3.74 H new ATOM 1947 N HIS B 598 12.336 -8.627 -1.192 1.00 0.00 N ATOM 1948 CA HIS B 598 11.990 -8.130 0.136 1.00 0.00 C ATOM 1949 C HIS B 598 10.947 -8.999 0.816 1.00 0.00 C ATOM 1950 O HIS B 598 10.598 -8.763 1.981 1.00 0.00 O ATOM 1951 CB HIS B 598 11.481 -6.684 0.037 1.00 0.02 C ATOM 1952 CG HIS B 598 10.027 -6.531 0.373 1.00 0.83 C ATOM 1953 ND1 HIS B 598 9.579 -6.209 1.638 1.00 1.71 N ATOM 1954 CD2 HIS B 598 8.917 -6.692 -0.386 1.00 1.62 C ATOM 1955 CE1 HIS B 598 8.260 -6.181 1.643 1.00 2.14 C ATOM 1956 NE2 HIS B 598 7.833 -6.469 0.427 1.00 2.04 N ATOM 0 H HIS B 598 12.002 -8.040 -1.956 1.00 0.00 H new ATOM 0 HA HIS B 598 12.893 -8.163 0.745 1.00 0.00 H new ATOM 0 HB2 HIS B 598 12.068 -6.055 0.707 1.00 0.02 H new ATOM 0 HB3 HIS B 598 11.651 -6.317 -0.975 1.00 0.02 H new ATOM 0 HD2 HIS B 598 8.889 -6.948 -1.435 1.00 1.62 H new ATOM 0 HE1 HIS B 598 7.636 -5.960 2.496 1.00 2.14 H new ATOM 0 HE2 HIS B 598 6.856 -6.518 0.138 1.00 2.04 H new ATOM 1965 N PHE B 599 10.462 -10.003 0.091 1.00 0.00 N ATOM 1966 CA PHE B 599 9.401 -10.869 0.597 1.00 0.00 C ATOM 1967 C PHE B 599 9.970 -12.220 0.986 1.00 0.00 C ATOM 1968 O PHE B 599 9.341 -12.989 1.717 1.00 0.00 O ATOM 1969 CB PHE B 599 8.212 -11.002 -0.387 1.00 0.06 C ATOM 1970 CG PHE B 599 8.456 -11.711 -1.710 1.00 1.01 C ATOM 1971 CD1 PHE B 599 9.289 -12.820 -1.743 1.00 1.94 C ATOM 1972 CD2 PHE B 599 7.910 -11.266 -2.910 1.00 1.40 C ATOM 1973 CE1 PHE B 599 9.564 -13.472 -2.932 1.00 2.87 C ATOM 1974 CE2 PHE B 599 8.187 -11.912 -4.102 1.00 2.28 C ATOM 1975 CZ PHE B 599 8.793 -13.003 -4.159 1.00 2.95 C ATOM 0 H PHE B 599 10.786 -10.237 -0.847 1.00 0.00 H new ATOM 0 HA PHE B 599 8.990 -10.397 1.489 1.00 0.00 H new ATOM 0 HB2 PHE B 599 7.408 -11.526 0.130 1.00 0.06 H new ATOM 0 HB3 PHE B 599 7.848 -9.999 -0.608 1.00 0.06 H new ATOM 0 HD1 PHE B 599 9.730 -13.180 -0.825 1.00 1.94 H new ATOM 0 HD2 PHE B 599 7.260 -10.403 -2.911 1.00 1.40 H new ATOM 0 HE1 PHE B 599 10.288 -14.272 -2.987 1.00 2.87 H new ATOM 0 HE2 PHE B 599 7.865 -11.452 -5.025 1.00 2.28 H new ATOM 0 HZ PHE B 599 8.771 -13.600 -5.058 1.00 2.95 H new ATOM 1985 N VAL B 600 11.172 -12.490 0.491 1.00 0.00 N ATOM 1986 CA VAL B 600 11.843 -13.767 0.675 1.00 0.00 C ATOM 1987 C VAL B 600 12.990 -13.655 1.697 1.00 0.00 C ATOM 1988 O VAL B 600 13.377 -14.627 2.344 1.00 0.00 O ATOM 1989 CB VAL B 600 12.395 -14.316 -0.659 1.00 0.01 C ATOM 1990 CG1 VAL B 600 13.409 -13.357 -1.262 1.00 1.42 C ATOM 1991 CG2 VAL B 600 13.009 -15.695 -0.460 1.00 1.42 C ATOM 0 H VAL B 600 11.713 -11.819 -0.055 1.00 0.00 H new ATOM 0 HA VAL B 600 11.095 -14.462 1.056 1.00 0.00 H new ATOM 0 HB VAL B 600 11.563 -14.410 -1.357 1.00 0.01 H new ATOM 0 HG11 VAL B 600 13.783 -13.766 -2.201 1.00 1.42 H new ATOM 0 HG12 VAL B 600 12.933 -12.395 -1.450 1.00 1.42 H new ATOM 0 HG13 VAL B 600 14.239 -13.222 -0.569 1.00 1.42 H new ATOM 0 HG21 VAL B 600 13.392 -16.064 -1.412 1.00 1.42 H new ATOM 0 HG22 VAL B 600 13.826 -15.629 0.259 1.00 1.42 H new ATOM 0 HG23 VAL B 600 12.250 -16.381 -0.084 1.00 1.42 H new ATOM 2001 N GLN B 601 13.523 -12.455 1.866 1.00 0.00 N ATOM 2002 CA GLN B 601 14.550 -12.265 2.867 1.00 0.00 C ATOM 2003 C GLN B 601 13.992 -11.604 4.127 1.00 0.00 C ATOM 2004 O GLN B 601 13.166 -10.691 4.050 1.00 0.00 O ATOM 2005 CB GLN B 601 15.684 -11.413 2.292 1.00 0.01 C ATOM 2006 CG GLN B 601 16.869 -11.255 3.233 1.00 1.31 C ATOM 2007 CD GLN B 601 17.940 -10.345 2.667 1.00 1.73 C ATOM 2008 OE1 GLN B 601 17.928 -9.134 2.895 1.00 2.34 O ATOM 2009 NE2 GLN B 601 18.873 -10.924 1.920 1.00 2.31 N ATOM 0 H GLN B 601 13.268 -11.621 1.337 1.00 0.00 H new ATOM 0 HA GLN B 601 14.932 -13.247 3.145 1.00 0.00 H new ATOM 0 HB2 GLN B 601 16.028 -11.863 1.361 1.00 0.01 H new ATOM 0 HB3 GLN B 601 15.295 -10.426 2.044 1.00 0.01 H new ATOM 0 HG2 GLN B 601 16.522 -10.854 4.185 1.00 1.31 H new ATOM 0 HG3 GLN B 601 17.300 -12.235 3.438 1.00 1.31 H new ATOM 0 HE21 GLN B 601 18.844 -11.931 1.757 1.00 2.31 H new ATOM 0 HE22 GLN B 601 19.619 -10.362 1.509 1.00 2.31 H new ATOM 2018 N VAL B 602 14.445 -12.078 5.288 1.00 0.00 N ATOM 2019 CA VAL B 602 14.008 -11.533 6.566 1.00 0.00 C ATOM 2020 C VAL B 602 14.395 -10.072 6.625 1.00 0.00 C ATOM 2021 O VAL B 602 15.569 -9.735 6.461 1.00 0.00 O ATOM 2022 CB VAL B 602 14.630 -12.293 7.759 1.00 0.01 C ATOM 2023 CG1 VAL B 602 16.145 -12.364 7.630 1.00 1.37 C ATOM 2024 CG2 VAL B 602 14.234 -11.642 9.076 1.00 1.36 C ATOM 0 H VAL B 602 15.117 -12.841 5.366 1.00 0.00 H new ATOM 0 HA VAL B 602 12.926 -11.646 6.641 1.00 0.00 H new ATOM 0 HB VAL B 602 14.242 -13.312 7.749 1.00 0.01 H new ATOM 0 HG11 VAL B 602 16.558 -12.904 8.482 1.00 1.37 H new ATOM 0 HG12 VAL B 602 16.408 -12.884 6.709 1.00 1.37 H new ATOM 0 HG13 VAL B 602 16.556 -11.355 7.606 1.00 1.37 H new ATOM 0 HG21 VAL B 602 14.682 -12.192 9.903 1.00 1.36 H new ATOM 0 HG22 VAL B 602 14.587 -10.611 9.093 1.00 1.36 H new ATOM 0 HG23 VAL B 602 13.149 -11.656 9.177 1.00 1.36 H new ATOM 2034 N GLN B 603 13.400 -9.209 6.829 1.00 0.00 N ATOM 2035 CA GLN B 603 13.615 -7.762 6.859 1.00 0.00 C ATOM 2036 C GLN B 603 13.858 -7.299 8.289 1.00 0.00 C ATOM 2037 O GLN B 603 13.638 -8.053 9.227 1.00 0.00 O ATOM 2038 CB GLN B 603 12.402 -7.035 6.272 1.00 0.02 C ATOM 2039 CG GLN B 603 11.103 -7.320 7.013 1.00 1.20 C ATOM 2040 CD GLN B 603 9.917 -6.573 6.431 1.00 1.93 C ATOM 2041 OE1 GLN B 603 8.983 -6.215 7.149 1.00 2.58 O ATOM 2042 NE2 GLN B 603 9.944 -6.337 5.123 1.00 2.68 N ATOM 0 H GLN B 603 12.431 -9.489 6.977 1.00 0.00 H new ATOM 0 HA GLN B 603 14.492 -7.526 6.257 1.00 0.00 H new ATOM 0 HB2 GLN B 603 12.591 -5.962 6.286 1.00 0.02 H new ATOM 0 HB3 GLN B 603 12.286 -7.325 5.228 1.00 0.02 H new ATOM 0 HG2 GLN B 603 10.901 -8.391 6.985 1.00 1.20 H new ATOM 0 HG3 GLN B 603 11.220 -7.045 8.061 1.00 1.20 H new ATOM 0 HE21 GLN B 603 10.738 -6.651 4.564 1.00 2.68 H new ATOM 0 HE22 GLN B 603 9.171 -5.842 4.678 1.00 2.68 H new ATOM 2051 N VAL B 604 14.324 -6.065 8.465 1.00 0.00 N ATOM 2052 CA VAL B 604 14.676 -5.602 9.809 1.00 0.00 C ATOM 2053 C VAL B 604 13.453 -5.354 10.693 1.00 0.00 C ATOM 2054 O VAL B 604 12.527 -4.651 10.309 1.00 0.00 O ATOM 2055 CB VAL B 604 15.524 -4.314 9.749 1.00 0.01 C ATOM 2056 CG1 VAL B 604 14.785 -3.216 8.997 1.00 1.27 C ATOM 2057 CG2 VAL B 604 15.898 -3.850 11.149 1.00 1.27 C ATOM 0 H VAL B 604 14.465 -5.383 7.719 1.00 0.00 H new ATOM 0 HA VAL B 604 15.257 -6.408 10.257 1.00 0.00 H new ATOM 0 HB VAL B 604 16.443 -4.537 9.207 1.00 0.01 H new ATOM 0 HG11 VAL B 604 15.401 -2.317 8.967 1.00 1.27 H new ATOM 0 HG12 VAL B 604 14.578 -3.548 7.980 1.00 1.27 H new ATOM 0 HG13 VAL B 604 13.846 -2.995 9.505 1.00 1.27 H new ATOM 0 HG21 VAL B 604 16.496 -2.941 11.083 1.00 1.27 H new ATOM 0 HG22 VAL B 604 14.992 -3.648 11.720 1.00 1.27 H new ATOM 0 HG23 VAL B 604 16.475 -4.628 11.648 1.00 1.27 H new ATOM 2067 N GLY B 605 13.475 -5.932 11.884 1.00 0.00 N ATOM 2068 CA GLY B 605 12.338 -5.852 12.773 1.00 0.00 C ATOM 2069 C GLY B 605 11.399 -7.023 12.602 1.00 0.00 C ATOM 2070 O GLY B 605 10.308 -7.037 13.158 1.00 0.00 O ATOM 0 H GLY B 605 14.267 -6.459 12.252 1.00 0.00 H new ATOM 0 HA2 GLY B 605 12.687 -5.816 13.805 1.00 0.00 H new ATOM 0 HA3 GLY B 605 11.797 -4.924 12.587 1.00 0.00 H new ATOM 2074 N GLU B 606 11.789 -8.000 11.795 1.00 0.00 N ATOM 2075 CA GLU B 606 10.968 -9.198 11.667 1.00 0.00 C ATOM 2076 C GLU B 606 11.816 -10.449 11.811 1.00 0.00 C ATOM 2077 O GLU B 606 13.029 -10.433 11.609 1.00 0.00 O ATOM 2078 CB GLU B 606 10.252 -9.200 10.314 1.00 0.02 C ATOM 2079 CG GLU B 606 9.184 -10.275 10.190 1.00 1.16 C ATOM 2080 CD GLU B 606 8.040 -10.072 11.163 1.00 1.64 C ATOM 2081 OE1 GLU B 606 8.144 -10.551 12.312 1.00 2.51 O ATOM 2082 OE2 GLU B 606 7.038 -9.433 10.777 1.00 1.84 O ATOM 0 H GLU B 606 12.641 -7.992 11.235 1.00 0.00 H new ATOM 0 HA GLU B 606 10.225 -9.194 12.464 1.00 0.00 H new ATOM 0 HB2 GLU B 606 9.793 -8.224 10.154 1.00 0.02 H new ATOM 0 HB3 GLU B 606 10.989 -9.339 9.523 1.00 0.02 H new ATOM 0 HG2 GLU B 606 8.794 -10.280 9.172 1.00 1.16 H new ATOM 0 HG3 GLU B 606 9.635 -11.252 10.363 1.00 1.16 H new ATOM 2089 N VAL B 607 11.152 -11.538 12.163 1.00 0.00 N ATOM 2090 CA VAL B 607 11.815 -12.798 12.446 1.00 0.00 C ATOM 2091 C VAL B 607 11.680 -13.796 11.303 1.00 0.00 C ATOM 2092 O VAL B 607 12.485 -14.712 11.186 1.00 0.00 O ATOM 2093 CB VAL B 607 11.259 -13.438 13.734 1.00 0.01 C ATOM 2094 CG1 VAL B 607 12.111 -14.623 14.161 1.00 1.40 C ATOM 2095 CG2 VAL B 607 11.173 -12.407 14.849 1.00 1.40 C ATOM 0 H VAL B 607 10.137 -11.572 12.260 1.00 0.00 H new ATOM 0 HA VAL B 607 12.871 -12.562 12.574 1.00 0.00 H new ATOM 0 HB VAL B 607 10.253 -13.803 13.526 1.00 0.01 H new ATOM 0 HG11 VAL B 607 11.699 -15.058 15.072 1.00 1.40 H new ATOM 0 HG12 VAL B 607 12.114 -15.373 13.370 1.00 1.40 H new ATOM 0 HG13 VAL B 607 13.132 -14.289 14.348 1.00 1.40 H new ATOM 0 HG21 VAL B 607 10.778 -12.877 15.750 1.00 1.40 H new ATOM 0 HG22 VAL B 607 12.167 -12.008 15.053 1.00 1.40 H new ATOM 0 HG23 VAL B 607 10.512 -11.596 14.544 1.00 1.40 H new ATOM 2105 N MET B 608 10.663 -13.622 10.463 1.00 0.00 N ATOM 2106 CA MET B 608 10.376 -14.595 9.410 1.00 0.00 C ATOM 2107 C MET B 608 10.042 -13.937 8.078 1.00 0.00 C ATOM 2108 O MET B 608 9.351 -12.928 8.029 1.00 0.00 O ATOM 2109 CB MET B 608 9.217 -15.498 9.839 1.00 0.01 C ATOM 2110 CG MET B 608 9.509 -16.305 11.093 1.00 1.32 C ATOM 2111 SD MET B 608 8.109 -17.315 11.614 1.00 2.02 S ATOM 2112 CE MET B 608 7.932 -18.409 10.205 1.00 2.68 C ATOM 0 H MET B 608 10.028 -12.824 10.489 1.00 0.00 H new ATOM 0 HA MET B 608 11.281 -15.184 9.264 1.00 0.00 H new ATOM 0 HB2 MET B 608 8.333 -14.884 10.009 1.00 0.01 H new ATOM 0 HB3 MET B 608 8.979 -16.181 9.024 1.00 0.01 H new ATOM 0 HG2 MET B 608 10.369 -16.950 10.913 1.00 1.32 H new ATOM 0 HG3 MET B 608 9.783 -15.626 11.901 1.00 1.32 H new ATOM 0 HE1 MET B 608 7.356 -19.288 10.497 1.00 2.68 H new ATOM 0 HE2 MET B 608 7.414 -17.886 9.401 1.00 2.68 H new ATOM 0 HE3 MET B 608 8.918 -18.720 9.859 1.00 2.68 H new ATOM 2122 N PRO B 609 10.502 -14.539 6.984 1.00 0.00 N ATOM 2123 CA PRO B 609 10.221 -13.995 5.651 1.00 0.00 C ATOM 2124 C PRO B 609 8.719 -13.742 5.433 1.00 0.00 C ATOM 2125 O PRO B 609 7.905 -14.633 5.703 1.00 0.00 O ATOM 2126 CB PRO B 609 10.720 -15.092 4.708 1.00 0.01 C ATOM 2127 CG PRO B 609 11.747 -15.836 5.491 1.00 0.43 C ATOM 2128 CD PRO B 609 11.308 -15.772 6.929 1.00 0.02 C ATOM 0 HA PRO B 609 10.701 -13.029 5.493 1.00 0.00 H new ATOM 0 HB2 PRO B 609 9.906 -15.749 4.401 1.00 0.01 H new ATOM 0 HB3 PRO B 609 11.147 -14.667 3.800 1.00 0.01 H new ATOM 0 HG2 PRO B 609 11.821 -16.869 5.152 1.00 0.43 H new ATOM 0 HG3 PRO B 609 12.733 -15.388 5.365 1.00 0.43 H new ATOM 0 HD2 PRO B 609 10.723 -16.648 7.210 1.00 0.02 H new ATOM 0 HD3 PRO B 609 12.160 -15.726 7.608 1.00 0.02 H new ATOM 2136 N PHE B 610 8.362 -12.549 4.949 1.00 0.00 N ATOM 2137 CA PHE B 610 6.959 -12.148 4.818 1.00 0.00 C ATOM 2138 C PHE B 610 6.160 -13.136 3.948 1.00 0.00 C ATOM 2139 O PHE B 610 4.970 -13.344 4.185 1.00 0.00 O ATOM 2140 CB PHE B 610 6.869 -10.741 4.222 1.00 0.01 C ATOM 2141 CG PHE B 610 5.486 -10.156 4.271 1.00 0.79 C ATOM 2142 CD1 PHE B 610 4.946 -9.732 5.474 1.00 0.80 C ATOM 2143 CD2 PHE B 610 4.728 -10.032 3.118 1.00 1.65 C ATOM 2144 CE1 PHE B 610 3.674 -9.194 5.527 1.00 1.48 C ATOM 2145 CE2 PHE B 610 3.454 -9.496 3.165 1.00 2.37 C ATOM 2146 CZ PHE B 610 2.928 -9.077 4.371 1.00 2.25 C ATOM 0 H PHE B 610 9.029 -11.842 4.640 1.00 0.00 H new ATOM 0 HA PHE B 610 6.521 -12.153 5.816 1.00 0.00 H new ATOM 0 HB2 PHE B 610 7.552 -10.083 4.759 1.00 0.01 H new ATOM 0 HB3 PHE B 610 7.205 -10.772 3.186 1.00 0.01 H new ATOM 0 HD1 PHE B 610 5.525 -9.823 6.381 1.00 0.80 H new ATOM 0 HD2 PHE B 610 5.136 -10.357 2.173 1.00 1.65 H new ATOM 0 HE1 PHE B 610 3.264 -8.866 6.471 1.00 1.48 H new ATOM 0 HE2 PHE B 610 2.872 -9.405 2.260 1.00 2.37 H new ATOM 0 HZ PHE B 610 1.933 -8.658 4.410 1.00 2.25 H new ATOM 2156 N ILE B 611 6.821 -13.748 2.966 1.00 0.00 N ATOM 2157 CA ILE B 611 6.181 -14.735 2.098 1.00 0.00 C ATOM 2158 C ILE B 611 5.443 -15.793 2.937 1.00 0.00 C ATOM 2159 O ILE B 611 4.300 -16.152 2.638 1.00 0.00 O ATOM 2160 CB ILE B 611 7.184 -15.476 1.200 1.00 0.02 C ATOM 2161 CG1 ILE B 611 8.450 -15.839 1.986 1.00 1.20 C ATOM 2162 CG2 ILE B 611 7.510 -14.644 -0.019 1.00 1.20 C ATOM 2163 CD1 ILE B 611 9.404 -16.731 1.223 1.00 1.84 C ATOM 0 H ILE B 611 7.803 -13.576 2.751 1.00 0.00 H new ATOM 0 HA ILE B 611 5.489 -14.175 1.470 1.00 0.00 H new ATOM 0 HB ILE B 611 6.730 -16.407 0.860 1.00 0.02 H new ATOM 0 HG12 ILE B 611 8.969 -14.922 2.266 1.00 1.20 H new ATOM 0 HG13 ILE B 611 8.162 -16.337 2.912 1.00 1.20 H new ATOM 0 HG21 ILE B 611 8.222 -15.181 -0.646 1.00 1.20 H new ATOM 0 HG22 ILE B 611 6.598 -14.455 -0.585 1.00 1.20 H new ATOM 0 HG23 ILE B 611 7.946 -13.695 0.294 1.00 1.20 H new ATOM 0 HD11 ILE B 611 10.275 -16.945 1.842 1.00 1.84 H new ATOM 0 HD12 ILE B 611 8.903 -17.664 0.966 1.00 1.84 H new ATOM 0 HD13 ILE B 611 9.722 -16.227 0.310 1.00 1.84 H new ATOM 2175 N ASP B 612 6.113 -16.268 3.984 1.00 0.00 N ATOM 2176 CA ASP B 612 5.564 -17.234 4.919 1.00 0.00 C ATOM 2177 C ASP B 612 4.186 -16.837 5.440 1.00 0.00 C ATOM 2178 O ASP B 612 3.239 -17.629 5.393 1.00 0.00 O ATOM 2179 CB ASP B 612 6.522 -17.428 6.095 1.00 0.01 C ATOM 2180 CG ASP B 612 7.821 -18.089 5.676 1.00 1.14 C ATOM 2181 OD1 ASP B 612 7.817 -19.316 5.451 1.00 1.26 O ATOM 2182 OD2 ASP B 612 8.844 -17.379 5.578 1.00 2.15 O ATOM 0 H ASP B 612 7.067 -15.985 4.206 1.00 0.00 H new ATOM 0 HA ASP B 612 5.445 -18.169 4.372 1.00 0.00 H new ATOM 0 HB2 ASP B 612 6.739 -16.460 6.548 1.00 0.01 H new ATOM 0 HB3 ASP B 612 6.037 -18.036 6.859 1.00 0.01 H new ATOM 2187 N GLU B 613 4.065 -15.621 5.947 1.00 0.00 N ATOM 2188 CA GLU B 613 2.782 -15.154 6.458 1.00 0.00 C ATOM 2189 C GLU B 613 1.740 -15.176 5.355 1.00 0.00 C ATOM 2190 O GLU B 613 0.562 -15.493 5.594 1.00 0.00 O ATOM 2191 CB GLU B 613 2.915 -13.741 7.029 1.00 0.01 C ATOM 2192 CG GLU B 613 3.909 -13.636 8.173 1.00 1.17 C ATOM 2193 CD GLU B 613 3.543 -14.521 9.350 1.00 1.82 C ATOM 2194 OE1 GLU B 613 2.783 -14.058 10.226 1.00 2.11 O ATOM 2195 OE2 GLU B 613 4.015 -15.677 9.393 1.00 2.66 O ATOM 0 H GLU B 613 4.826 -14.946 6.017 1.00 0.00 H new ATOM 0 HA GLU B 613 2.464 -15.823 7.258 1.00 0.00 H new ATOM 0 HB2 GLU B 613 3.220 -13.063 6.231 1.00 0.01 H new ATOM 0 HB3 GLU B 613 1.938 -13.406 7.376 1.00 0.01 H new ATOM 0 HG2 GLU B 613 4.901 -13.909 7.813 1.00 1.17 H new ATOM 0 HG3 GLU B 613 3.965 -12.600 8.506 1.00 1.17 H new ATOM 2202 N ILE B 614 2.168 -14.838 4.143 1.00 0.00 N ATOM 2203 CA ILE B 614 1.253 -14.856 3.012 1.00 0.00 C ATOM 2204 C ILE B 614 0.745 -16.287 2.700 1.00 0.00 C ATOM 2205 O ILE B 614 -0.443 -16.498 2.536 1.00 0.00 O ATOM 2206 CB ILE B 614 1.909 -14.269 1.745 1.00 0.05 C ATOM 2207 CG1 ILE B 614 2.398 -12.842 2.013 1.00 1.10 C ATOM 2208 CG2 ILE B 614 0.926 -14.291 0.581 1.00 1.11 C ATOM 2209 CD1 ILE B 614 3.116 -12.212 0.837 1.00 1.76 C ATOM 0 H ILE B 614 3.123 -14.554 3.923 1.00 0.00 H new ATOM 0 HA ILE B 614 0.404 -14.236 3.299 1.00 0.00 H new ATOM 0 HB ILE B 614 2.769 -14.883 1.479 1.00 0.05 H new ATOM 0 HG12 ILE B 614 1.544 -12.220 2.282 1.00 1.10 H new ATOM 0 HG13 ILE B 614 3.068 -12.853 2.873 1.00 1.10 H new ATOM 0 HG21 ILE B 614 1.403 -13.874 -0.306 1.00 1.11 H new ATOM 0 HG22 ILE B 614 0.623 -15.319 0.380 1.00 1.11 H new ATOM 0 HG23 ILE B 614 0.048 -13.696 0.835 1.00 1.11 H new ATOM 0 HD11 ILE B 614 3.432 -11.203 1.102 1.00 1.76 H new ATOM 0 HD12 ILE B 614 3.990 -12.811 0.581 1.00 1.76 H new ATOM 0 HD13 ILE B 614 2.443 -12.168 -0.019 1.00 1.76 H new ATOM 2221 N LEU B 615 1.670 -17.240 2.634 1.00 0.00 N ATOM 2222 CA LEU B 615 1.355 -18.631 2.306 1.00 0.00 C ATOM 2223 C LEU B 615 0.436 -19.288 3.326 1.00 0.00 C ATOM 2224 O LEU B 615 -0.355 -20.159 2.977 1.00 0.00 O ATOM 2225 CB LEU B 615 2.646 -19.446 2.187 1.00 0.01 C ATOM 2226 CG LEU B 615 3.297 -19.463 0.799 1.00 1.09 C ATOM 2227 CD1 LEU B 615 2.380 -20.121 -0.218 1.00 1.70 C ATOM 2228 CD2 LEU B 615 3.659 -18.053 0.353 1.00 1.84 C ATOM 0 H LEU B 615 2.661 -17.072 2.806 1.00 0.00 H new ATOM 0 HA LEU B 615 0.825 -18.615 1.354 1.00 0.00 H new ATOM 0 HB2 LEU B 615 3.369 -19.053 2.902 1.00 0.01 H new ATOM 0 HB3 LEU B 615 2.433 -20.474 2.481 1.00 0.01 H new ATOM 0 HG LEU B 615 4.214 -20.048 0.865 1.00 1.09 H new ATOM 0 HD11 LEU B 615 2.862 -20.122 -1.196 1.00 1.70 H new ATOM 0 HD12 LEU B 615 2.176 -21.147 0.087 1.00 1.70 H new ATOM 0 HD13 LEU B 615 1.443 -19.566 -0.276 1.00 1.70 H new ATOM 0 HD21 LEU B 615 4.119 -18.091 -0.634 1.00 1.84 H new ATOM 0 HD22 LEU B 615 2.757 -17.442 0.310 1.00 1.84 H new ATOM 0 HD23 LEU B 615 4.360 -17.615 1.064 1.00 1.84 H new ATOM 2240 N ASN B 616 0.544 -18.867 4.581 1.00 0.00 N ATOM 2241 CA ASN B 616 -0.278 -19.433 5.644 1.00 0.00 C ATOM 2242 C ASN B 616 -1.712 -18.884 5.707 1.00 0.00 C ATOM 2243 O ASN B 616 -2.499 -19.269 6.569 1.00 0.00 O ATOM 2244 CB ASN B 616 0.400 -19.202 6.996 1.00 0.02 C ATOM 2245 CG ASN B 616 1.778 -19.829 7.070 1.00 1.19 C ATOM 2246 OD1 ASN B 616 2.045 -20.849 6.436 1.00 2.06 O ATOM 2247 ND2 ASN B 616 2.663 -19.218 7.851 1.00 1.95 N ATOM 0 H ASN B 616 1.190 -18.139 4.887 1.00 0.00 H new ATOM 0 HA ASN B 616 -0.365 -20.495 5.412 1.00 0.00 H new ATOM 0 HB2 ASN B 616 0.482 -18.131 7.179 1.00 0.02 H new ATOM 0 HB3 ASN B 616 -0.226 -19.614 7.788 1.00 0.02 H new ATOM 0 HD21 ASN B 616 3.607 -19.593 7.943 1.00 1.95 H new ATOM 0 HD22 ASN B 616 2.398 -18.374 8.359 1.00 1.95 H new ATOM 2254 N ASN B 617 -2.039 -18.006 4.772 1.00 0.00 N ATOM 2255 CA ASN B 617 -3.312 -17.302 4.762 1.00 0.00 C ATOM 2256 C ASN B 617 -3.876 -17.110 3.368 1.00 0.00 C ATOM 2257 O ASN B 617 -4.772 -16.272 3.170 1.00 0.00 O ATOM 2258 CB ASN B 617 -3.161 -15.940 5.443 1.00 0.03 C ATOM 2259 CG ASN B 617 -2.922 -16.054 6.937 1.00 1.15 C ATOM 2260 OD1 ASN B 617 -2.189 -15.257 7.521 1.00 1.96 O ATOM 2261 ND2 ASN B 617 -3.548 -17.042 7.567 1.00 1.97 N ATOM 0 H ASN B 617 -1.426 -17.760 3.995 1.00 0.00 H new ATOM 0 HA ASN B 617 -4.017 -17.927 5.310 1.00 0.00 H new ATOM 0 HB2 ASN B 617 -2.331 -15.401 4.987 1.00 0.03 H new ATOM 0 HB3 ASN B 617 -4.060 -15.349 5.267 1.00 0.03 H new ATOM 0 HD21 ASN B 617 -3.429 -17.161 8.573 1.00 1.97 H new ATOM 0 HD22 ASN B 617 -4.147 -17.681 7.045 1.00 1.97 H new ATOM 2268 N ILE B 618 -3.357 -17.844 2.396 1.00 0.00 N ATOM 2269 CA ILE B 618 -3.823 -17.637 1.025 1.00 0.00 C ATOM 2270 C ILE B 618 -5.341 -17.583 0.990 1.00 0.00 C ATOM 2271 O ILE B 618 -5.922 -16.677 0.393 1.00 0.00 O ATOM 2272 CB ILE B 618 -3.339 -18.759 0.087 1.00 0.01 C ATOM 2273 CG1 ILE B 618 -1.813 -18.867 0.125 1.00 1.42 C ATOM 2274 CG2 ILE B 618 -3.824 -18.508 -1.336 1.00 1.42 C ATOM 2275 CD1 ILE B 618 -1.270 -20.053 -0.644 1.00 2.01 C ATOM 0 H ILE B 618 -2.642 -18.561 2.516 1.00 0.00 H new ATOM 0 HA ILE B 618 -3.407 -16.691 0.679 1.00 0.00 H new ATOM 0 HB ILE B 618 -3.758 -19.704 0.432 1.00 0.01 H new ATOM 0 HG12 ILE B 618 -1.382 -17.952 -0.282 1.00 1.42 H new ATOM 0 HG13 ILE B 618 -1.488 -18.938 1.163 1.00 1.42 H new ATOM 0 HG21 ILE B 618 -3.474 -19.309 -1.986 1.00 1.42 H new ATOM 0 HG22 ILE B 618 -4.914 -18.480 -1.349 1.00 1.42 H new ATOM 0 HG23 ILE B 618 -3.432 -17.555 -1.691 1.00 1.42 H new ATOM 0 HD11 ILE B 618 -0.182 -20.066 -0.573 1.00 2.01 H new ATOM 0 HD12 ILE B 618 -1.672 -20.975 -0.223 1.00 2.01 H new ATOM 0 HD13 ILE B 618 -1.564 -19.974 -1.690 1.00 2.01 H new ATOM 2287 N ASN B 619 -5.976 -18.537 1.657 1.00 0.00 N ATOM 2288 CA ASN B 619 -7.422 -18.616 1.618 1.00 0.00 C ATOM 2289 C ASN B 619 -8.120 -17.401 2.221 1.00 0.00 C ATOM 2290 O ASN B 619 -8.976 -16.783 1.589 1.00 0.00 O ATOM 2291 CB ASN B 619 -7.893 -19.879 2.339 1.00 0.01 C ATOM 2292 CG ASN B 619 -7.305 -21.142 1.743 1.00 1.38 C ATOM 2293 OD1 ASN B 619 -7.027 -21.205 0.545 1.00 2.28 O ATOM 2294 ND2 ASN B 619 -7.113 -22.155 2.578 1.00 2.18 N ATOM 0 H ASN B 619 -5.519 -19.253 2.221 1.00 0.00 H new ATOM 0 HA ASN B 619 -7.696 -18.645 0.563 1.00 0.00 H new ATOM 0 HB2 ASN B 619 -7.618 -19.816 3.392 1.00 0.01 H new ATOM 0 HB3 ASN B 619 -8.981 -19.933 2.296 1.00 0.01 H new ATOM 0 HD21 ASN B 619 -6.720 -23.031 2.235 1.00 2.18 H new ATOM 0 HD22 ASN B 619 -7.358 -22.057 3.563 1.00 2.18 H new ATOM 2301 N THR B 620 -7.735 -17.027 3.435 1.00 0.00 N ATOM 2302 CA THR B 620 -8.360 -15.873 4.060 1.00 0.00 C ATOM 2303 C THR B 620 -8.211 -14.641 3.185 1.00 0.00 C ATOM 2304 O THR B 620 -9.098 -13.802 3.161 1.00 0.00 O ATOM 2305 CB THR B 620 -7.751 -15.584 5.445 1.00 0.02 C ATOM 2306 OG1 THR B 620 -7.795 -16.764 6.256 1.00 1.27 O ATOM 2307 CG2 THR B 620 -8.501 -14.458 6.144 1.00 1.32 C ATOM 0 H THR B 620 -7.016 -17.490 3.990 1.00 0.00 H new ATOM 0 HA THR B 620 -9.417 -16.108 4.183 1.00 0.00 H new ATOM 0 HB THR B 620 -6.715 -15.277 5.303 1.00 0.02 H new ATOM 0 HG1 THR B 620 -7.404 -16.572 7.134 1.00 1.27 H new ATOM 0 HG21 THR B 620 -8.052 -14.273 7.120 1.00 1.32 H new ATOM 0 HG22 THR B 620 -8.443 -13.552 5.540 1.00 1.32 H new ATOM 0 HG23 THR B 620 -9.545 -14.742 6.273 1.00 1.32 H new ATOM 2315 N ILE B 621 -7.110 -14.546 2.431 1.00 0.00 N ATOM 2316 CA ILE B 621 -6.884 -13.378 1.578 1.00 0.00 C ATOM 2317 C ILE B 621 -7.648 -13.376 0.259 1.00 0.00 C ATOM 2318 O ILE B 621 -8.174 -12.335 -0.140 1.00 0.00 O ATOM 2319 CB ILE B 621 -5.381 -13.222 1.269 1.00 0.06 C ATOM 2320 CG1 ILE B 621 -4.579 -13.156 2.571 1.00 1.39 C ATOM 2321 CG2 ILE B 621 -5.137 -11.979 0.426 1.00 1.37 C ATOM 2322 CD1 ILE B 621 -3.082 -13.249 2.367 1.00 2.00 C ATOM 0 H ILE B 621 -6.374 -15.251 2.395 1.00 0.00 H new ATOM 0 HA ILE B 621 -7.268 -12.540 2.160 1.00 0.00 H new ATOM 0 HB ILE B 621 -5.049 -14.091 0.700 1.00 0.06 H new ATOM 0 HG12 ILE B 621 -4.810 -12.222 3.083 1.00 1.39 H new ATOM 0 HG13 ILE B 621 -4.899 -13.966 3.226 1.00 1.39 H new ATOM 0 HG21 ILE B 621 -4.071 -11.884 0.217 1.00 1.37 H new ATOM 0 HG22 ILE B 621 -5.685 -12.063 -0.513 1.00 1.37 H new ATOM 0 HG23 ILE B 621 -5.480 -11.098 0.969 1.00 1.37 H new ATOM 0 HD11 ILE B 621 -2.579 -13.195 3.333 1.00 2.00 H new ATOM 0 HD12 ILE B 621 -2.839 -14.195 1.883 1.00 2.00 H new ATOM 0 HD13 ILE B 621 -2.749 -12.424 1.738 1.00 2.00 H new ATOM 2334 N ILE B 622 -7.706 -14.514 -0.433 1.00 0.00 N ATOM 2335 CA ILE B 622 -8.390 -14.531 -1.731 1.00 0.00 C ATOM 2336 C ILE B 622 -9.901 -14.804 -1.667 1.00 0.00 C ATOM 2337 O ILE B 622 -10.588 -14.712 -2.678 1.00 0.00 O ATOM 2338 CB ILE B 622 -7.748 -15.560 -2.679 1.00 0.04 C ATOM 2339 CG1 ILE B 622 -7.904 -16.979 -2.122 1.00 1.31 C ATOM 2340 CG2 ILE B 622 -6.279 -15.227 -2.897 1.00 1.30 C ATOM 2341 CD1 ILE B 622 -7.448 -18.060 -3.078 1.00 2.09 C ATOM 0 H ILE B 622 -7.306 -15.404 -0.135 1.00 0.00 H new ATOM 0 HA ILE B 622 -8.268 -13.516 -2.109 1.00 0.00 H new ATOM 0 HB ILE B 622 -8.261 -15.515 -3.640 1.00 0.04 H new ATOM 0 HG12 ILE B 622 -7.335 -17.061 -1.196 1.00 1.31 H new ATOM 0 HG13 ILE B 622 -8.951 -17.148 -1.869 1.00 1.31 H new ATOM 0 HG21 ILE B 622 -5.835 -15.962 -3.569 1.00 1.30 H new ATOM 0 HG22 ILE B 622 -6.193 -14.234 -3.337 1.00 1.30 H new ATOM 0 HG23 ILE B 622 -5.756 -15.247 -1.941 1.00 1.30 H new ATOM 0 HD11 ILE B 622 -7.588 -19.037 -2.616 1.00 2.09 H new ATOM 0 HD12 ILE B 622 -8.034 -18.005 -3.996 1.00 2.09 H new ATOM 0 HD13 ILE B 622 -6.393 -17.917 -3.312 1.00 2.09 H new ATOM 2353 N CYS B 623 -10.384 -15.123 -0.471 1.00 0.00 N ATOM 2354 CA CYS B 623 -11.811 -15.425 -0.205 1.00 0.00 C ATOM 2355 C CYS B 623 -12.806 -14.926 -1.220 1.00 0.00 C ATOM 2356 O CYS B 623 -13.595 -15.692 -1.775 1.00 0.00 O ATOM 2357 CB CYS B 623 -12.193 -14.892 1.175 1.00 0.01 C ATOM 2358 SG CYS B 623 -11.744 -13.163 1.452 1.00 1.47 S ATOM 0 H CYS B 623 -9.798 -15.184 0.362 1.00 0.00 H new ATOM 0 HA CYS B 623 -11.875 -16.511 -0.266 1.00 0.00 H new ATOM 0 HB2 CYS B 623 -13.269 -15.002 1.310 1.00 0.01 H new ATOM 0 HB3 CYS B 623 -11.712 -15.507 1.936 1.00 0.01 H new ATOM 0 HG CYS B 623 -12.822 -12.457 1.622 1.00 1.47 H new ATOM 2364 N ASP B 624 -12.778 -13.612 -1.404 1.00 0.00 N ATOM 2365 CA ASP B 624 -13.835 -12.879 -2.056 1.00 0.00 C ATOM 2366 C ASP B 624 -13.489 -12.596 -3.497 1.00 0.00 C ATOM 2367 O ASP B 624 -14.323 -12.082 -4.247 1.00 0.00 O ATOM 2368 CB ASP B 624 -14.109 -11.564 -1.320 1.00 0.01 C ATOM 2369 CG ASP B 624 -14.702 -11.780 0.059 1.00 1.08 C ATOM 2370 OD1 ASP B 624 -15.784 -12.396 0.150 1.00 1.01 O ATOM 2371 OD2 ASP B 624 -14.084 -11.332 1.048 1.00 2.07 O ATOM 0 H ASP B 624 -12.004 -13.024 -1.096 1.00 0.00 H new ATOM 0 HA ASP B 624 -14.733 -13.496 -2.030 1.00 0.00 H new ATOM 0 HB2 ASP B 624 -13.179 -11.003 -1.228 1.00 0.01 H new ATOM 0 HB3 ASP B 624 -14.791 -10.955 -1.913 1.00 0.01 H new ATOM 2376 N LEU B 625 -12.252 -12.908 -3.883 1.00 0.00 N ATOM 2377 CA LEU B 625 -11.755 -12.555 -5.211 1.00 0.00 C ATOM 2378 C LEU B 625 -12.404 -13.419 -6.307 1.00 0.00 C ATOM 2379 O LEU B 625 -12.734 -14.584 -6.068 1.00 0.00 O ATOM 2380 CB LEU B 625 -10.234 -12.709 -5.263 1.00 0.06 C ATOM 2381 CG LEU B 625 -9.454 -11.755 -4.353 1.00 0.72 C ATOM 2382 CD1 LEU B 625 -7.970 -12.083 -4.383 1.00 1.60 C ATOM 2383 CD2 LEU B 625 -9.691 -10.309 -4.770 1.00 1.67 C ATOM 0 H LEU B 625 -11.579 -13.402 -3.297 1.00 0.00 H new ATOM 0 HA LEU B 625 -12.023 -11.515 -5.398 1.00 0.00 H new ATOM 0 HB2 LEU B 625 -9.978 -13.734 -4.994 1.00 0.06 H new ATOM 0 HB3 LEU B 625 -9.904 -12.558 -6.291 1.00 0.06 H new ATOM 0 HG LEU B 625 -9.813 -11.882 -3.332 1.00 0.72 H new ATOM 0 HD11 LEU B 625 -7.432 -11.395 -3.731 1.00 1.60 H new ATOM 0 HD12 LEU B 625 -7.816 -13.105 -4.038 1.00 1.60 H new ATOM 0 HD13 LEU B 625 -7.596 -11.984 -5.402 1.00 1.60 H new ATOM 0 HD21 LEU B 625 -9.130 -9.644 -4.113 1.00 1.67 H new ATOM 0 HD22 LEU B 625 -9.359 -10.168 -5.799 1.00 1.67 H new ATOM 0 HD23 LEU B 625 -10.754 -10.079 -4.697 1.00 1.67 H new ATOM 2395 N GLN B 626 -12.604 -12.839 -7.493 1.00 0.00 N ATOM 2396 CA GLN B 626 -13.106 -13.584 -8.647 1.00 0.00 C ATOM 2397 C GLN B 626 -11.973 -14.417 -9.224 1.00 0.00 C ATOM 2398 O GLN B 626 -10.806 -14.132 -8.969 1.00 0.00 O ATOM 2399 CB GLN B 626 -13.663 -12.623 -9.705 1.00 0.01 C ATOM 2400 CG GLN B 626 -14.971 -11.959 -9.302 1.00 0.94 C ATOM 2401 CD GLN B 626 -14.822 -11.051 -8.098 1.00 1.63 C ATOM 2402 OE1 GLN B 626 -14.544 -9.859 -8.234 1.00 2.35 O ATOM 2403 NE2 GLN B 626 -15.007 -11.611 -6.907 1.00 2.33 N ATOM 0 H GLN B 626 -12.425 -11.852 -7.678 1.00 0.00 H new ATOM 0 HA GLN B 626 -13.917 -14.241 -8.334 1.00 0.00 H new ATOM 0 HB2 GLN B 626 -12.921 -11.850 -9.907 1.00 0.01 H new ATOM 0 HB3 GLN B 626 -13.815 -13.170 -10.635 1.00 0.01 H new ATOM 0 HG2 GLN B 626 -15.353 -11.380 -10.143 1.00 0.94 H new ATOM 0 HG3 GLN B 626 -15.711 -12.728 -9.082 1.00 0.94 H new ATOM 0 HE21 GLN B 626 -15.236 -12.603 -6.840 1.00 2.33 H new ATOM 0 HE22 GLN B 626 -14.920 -11.049 -6.060 1.00 2.33 H new ATOM 2412 N PRO B 627 -12.303 -15.427 -10.033 1.00 0.00 N ATOM 2413 CA PRO B 627 -11.275 -16.306 -10.609 1.00 0.00 C ATOM 2414 C PRO B 627 -10.075 -15.600 -11.241 1.00 0.00 C ATOM 2415 O PRO B 627 -8.930 -16.023 -11.066 1.00 0.00 O ATOM 2416 CB PRO B 627 -12.049 -17.071 -11.683 1.00 0.01 C ATOM 2417 CG PRO B 627 -13.454 -17.105 -11.189 1.00 0.44 C ATOM 2418 CD PRO B 627 -13.668 -15.815 -10.443 1.00 0.01 C ATOM 0 HA PRO B 627 -10.820 -16.911 -9.825 1.00 0.00 H new ATOM 0 HB2 PRO B 627 -11.982 -16.572 -12.650 1.00 0.01 H new ATOM 0 HB3 PRO B 627 -11.652 -18.077 -11.815 1.00 0.01 H new ATOM 0 HG2 PRO B 627 -14.156 -17.196 -12.018 1.00 0.44 H new ATOM 0 HG3 PRO B 627 -13.617 -17.963 -10.537 1.00 0.44 H new ATOM 0 HD2 PRO B 627 -14.128 -15.056 -11.076 1.00 0.01 H new ATOM 0 HD3 PRO B 627 -14.323 -15.952 -9.582 1.00 0.01 H new ATOM 2426 N GLN B 628 -10.335 -14.548 -12.003 1.00 0.00 N ATOM 2427 CA GLN B 628 -9.275 -13.892 -12.732 1.00 0.00 C ATOM 2428 C GLN B 628 -8.314 -13.216 -11.747 1.00 0.00 C ATOM 2429 O GLN B 628 -7.088 -13.318 -11.878 1.00 0.00 O ATOM 2430 CB GLN B 628 -9.853 -12.862 -13.706 1.00 0.01 C ATOM 2431 CG GLN B 628 -10.847 -11.907 -13.065 1.00 1.30 C ATOM 2432 CD GLN B 628 -11.357 -10.859 -14.035 1.00 1.94 C ATOM 2433 OE1 GLN B 628 -10.649 -10.456 -14.959 1.00 2.62 O ATOM 2434 NE2 GLN B 628 -12.590 -10.413 -13.833 1.00 2.58 N ATOM 0 H GLN B 628 -11.261 -14.139 -12.128 1.00 0.00 H new ATOM 0 HA GLN B 628 -8.727 -14.637 -13.309 1.00 0.00 H new ATOM 0 HB2 GLN B 628 -9.036 -12.285 -14.139 1.00 0.01 H new ATOM 0 HB3 GLN B 628 -10.343 -13.386 -14.527 1.00 0.01 H new ATOM 0 HG2 GLN B 628 -11.691 -12.475 -12.673 1.00 1.30 H new ATOM 0 HG3 GLN B 628 -10.375 -11.412 -12.216 1.00 1.30 H new ATOM 0 HE21 GLN B 628 -13.142 -10.774 -13.055 1.00 2.58 H new ATOM 0 HE22 GLN B 628 -12.986 -9.709 -14.456 1.00 2.58 H new ATOM 2443 N GLN B 629 -8.881 -12.562 -10.738 1.00 0.00 N ATOM 2444 CA GLN B 629 -8.098 -11.896 -9.709 1.00 0.00 C ATOM 2445 C GLN B 629 -7.270 -12.898 -8.924 1.00 0.00 C ATOM 2446 O GLN B 629 -6.118 -12.628 -8.558 1.00 0.00 O ATOM 2447 CB GLN B 629 -9.014 -11.119 -8.763 1.00 0.01 C ATOM 2448 CG GLN B 629 -9.816 -10.030 -9.454 1.00 0.49 C ATOM 2449 CD GLN B 629 -8.951 -9.130 -10.315 1.00 1.22 C ATOM 2450 OE1 GLN B 629 -8.393 -8.145 -9.834 1.00 2.04 O ATOM 2451 NE2 GLN B 629 -8.837 -9.463 -11.596 1.00 2.06 N ATOM 0 H GLN B 629 -9.890 -12.480 -10.613 1.00 0.00 H new ATOM 0 HA GLN B 629 -7.420 -11.198 -10.199 1.00 0.00 H new ATOM 0 HB2 GLN B 629 -9.701 -11.815 -8.282 1.00 0.01 H new ATOM 0 HB3 GLN B 629 -8.411 -10.670 -7.974 1.00 0.01 H new ATOM 0 HG2 GLN B 629 -10.587 -10.488 -10.073 1.00 0.49 H new ATOM 0 HG3 GLN B 629 -10.327 -9.427 -8.703 1.00 0.49 H new ATOM 0 HE21 GLN B 629 -9.317 -10.289 -11.953 1.00 2.06 H new ATOM 0 HE22 GLN B 629 -8.269 -8.893 -12.223 1.00 2.06 H new ATOM 2460 N VAL B 630 -7.847 -14.067 -8.665 1.00 0.00 N ATOM 2461 CA VAL B 630 -7.110 -15.132 -7.975 1.00 0.00 C ATOM 2462 C VAL B 630 -5.862 -15.525 -8.766 1.00 0.00 C ATOM 2463 O VAL B 630 -5.989 -16.332 -9.710 1.00 1.10 O ATOM 2464 CB VAL B 630 -7.990 -16.380 -7.760 1.00 0.05 C ATOM 2465 CG1 VAL B 630 -7.197 -17.488 -7.084 1.00 1.27 C ATOM 2466 CG2 VAL B 630 -9.225 -16.030 -6.945 1.00 1.30 C ATOM 2467 OXT VAL B 630 -4.768 -15.020 -8.433 1.00 1.10 O ATOM 0 H VAL B 630 -8.807 -14.304 -8.916 1.00 0.00 H new ATOM 0 HA VAL B 630 -6.815 -14.741 -7.001 1.00 0.00 H new ATOM 0 HB VAL B 630 -8.315 -16.741 -8.736 1.00 0.05 H new ATOM 0 HG11 VAL B 630 -7.837 -18.359 -6.942 1.00 1.27 H new ATOM 0 HG12 VAL B 630 -6.347 -17.761 -7.709 1.00 1.27 H new ATOM 0 HG13 VAL B 630 -6.838 -17.140 -6.116 1.00 1.27 H new ATOM 0 HG21 VAL B 630 -9.833 -16.924 -6.804 1.00 1.30 H new ATOM 0 HG22 VAL B 630 -8.921 -15.641 -5.973 1.00 1.30 H new ATOM 0 HG23 VAL B 630 -9.807 -15.274 -7.473 1.00 1.30 H new TER 2477 VAL B 630