USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 597 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 30:sc= 0.759 USER MOD Single : A 3 SER OG : rot 33:sc= 1 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 112:sc= 0.116 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 20 SER OG : rot -121:sc= 1.14 USER MOD Single : A 21 GLN : amide:sc= -0.143 X(o=-0.14,f=-0.068) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 153:sc= -0.19 (180deg=-0.89) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.35 X(o=-0.35,f=-0.69) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -135:sc= -0.0533 (180deg=-0.461) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -4.63! C(o=-4.6!,f=-6.5!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.488 K(o=-0.49,f=-6.3!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 160:sc= -0.0348 (180deg=-0.343) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 79:sc= 0.538 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -70:sc= 0.988 USER MOD Single : A 65 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0331) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.0149 X(o=-0.015,f=-0.41) USER MOD Single : A 69 TYR OH : rot -139:sc= 1.99 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.152 14.239 11.053 1.00 0.00 N ATOM 2 CA GLY A 1 -1.244 13.085 11.929 1.00 0.00 C ATOM 3 C GLY A 1 -2.572 12.365 11.802 1.00 0.00 C ATOM 4 O GLY A 1 -3.256 12.130 12.798 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.226 14.696 11.177 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.257 13.934 10.064 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.906 14.915 11.289 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.435 12.392 11.698 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.105 13.405 12.962 1.00 0.00 H new ATOM 8 N SER A 2 -2.939 12.016 10.573 1.00 0.00 N ATOM 9 CA SER A 2 -4.197 11.324 10.319 1.00 0.00 C ATOM 10 C SER A 2 -4.066 9.833 10.614 1.00 0.00 C ATOM 11 O SER A 2 -3.307 9.122 9.955 1.00 0.00 O ATOM 12 CB SER A 2 -4.634 11.531 8.867 1.00 0.00 C ATOM 13 OG SER A 2 -3.696 10.967 7.967 1.00 0.00 O ATOM 0 H SER A 2 -2.383 12.201 9.738 1.00 0.00 H new ATOM 0 HA SER A 2 -4.954 11.743 10.982 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.612 11.076 8.710 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.742 12.597 8.665 1.00 0.00 H new ATOM 0 HG SER A 2 -3.263 10.195 8.387 1.00 0.00 H new ATOM 19 N SER A 3 -4.811 9.365 11.611 1.00 0.00 N ATOM 20 CA SER A 3 -4.776 7.960 11.997 1.00 0.00 C ATOM 21 C SER A 3 -5.199 7.066 10.836 1.00 0.00 C ATOM 22 O SER A 3 -6.371 7.026 10.463 1.00 0.00 O ATOM 23 CB SER A 3 -5.688 7.717 13.201 1.00 0.00 C ATOM 24 OG SER A 3 -7.048 7.925 12.860 1.00 0.00 O ATOM 0 H SER A 3 -5.446 9.939 12.166 1.00 0.00 H new ATOM 0 HA SER A 3 -3.751 7.710 12.270 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.552 6.698 13.564 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.407 8.386 14.015 1.00 0.00 H new ATOM 0 HG SER A 3 -7.193 7.671 11.925 1.00 0.00 H new ATOM 30 N GLY A 4 -4.234 6.349 10.267 1.00 0.00 N ATOM 31 CA GLY A 4 -4.526 5.465 9.153 1.00 0.00 C ATOM 32 C GLY A 4 -4.001 6.001 7.835 1.00 0.00 C ATOM 33 O GLY A 4 -4.683 6.763 7.152 1.00 0.00 O ATOM 0 H GLY A 4 -3.256 6.365 10.557 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.086 4.486 9.345 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.604 5.321 9.080 1.00 0.00 H new ATOM 37 N SER A 5 -2.784 5.602 7.479 1.00 0.00 N ATOM 38 CA SER A 5 -2.166 6.051 6.237 1.00 0.00 C ATOM 39 C SER A 5 -2.426 5.056 5.110 1.00 0.00 C ATOM 40 O SER A 5 -2.405 3.844 5.320 1.00 0.00 O ATOM 41 CB SER A 5 -0.660 6.237 6.431 1.00 0.00 C ATOM 42 OG SER A 5 -0.057 5.049 6.914 1.00 0.00 O ATOM 0 H SER A 5 -2.207 4.969 8.033 1.00 0.00 H new ATOM 0 HA SER A 5 -2.611 7.008 5.963 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.201 6.523 5.485 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.478 7.052 7.132 1.00 0.00 H new ATOM 0 HG SER A 5 0.906 5.194 7.028 1.00 0.00 H new ATOM 48 N SER A 6 -2.671 5.579 3.913 1.00 0.00 N ATOM 49 CA SER A 6 -2.939 4.738 2.752 1.00 0.00 C ATOM 50 C SER A 6 -2.290 5.319 1.499 1.00 0.00 C ATOM 51 O SER A 6 -2.583 6.445 1.099 1.00 0.00 O ATOM 52 CB SER A 6 -4.447 4.593 2.538 1.00 0.00 C ATOM 53 OG SER A 6 -4.739 3.495 1.692 1.00 0.00 O ATOM 0 H SER A 6 -2.689 6.581 3.722 1.00 0.00 H new ATOM 0 HA SER A 6 -2.509 3.754 2.940 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.942 4.457 3.499 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.845 5.509 2.101 1.00 0.00 H new ATOM 0 HG SER A 6 -5.709 3.423 1.573 1.00 0.00 H new ATOM 59 N GLY A 7 -1.405 4.540 0.883 1.00 0.00 N ATOM 60 CA GLY A 7 -0.728 4.993 -0.318 1.00 0.00 C ATOM 61 C GLY A 7 0.729 4.576 -0.354 1.00 0.00 C ATOM 62 O GLY A 7 1.217 4.090 -1.374 1.00 0.00 O ATOM 0 H GLY A 7 -1.145 3.604 1.194 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.239 4.592 -1.193 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.794 6.079 -0.381 1.00 0.00 H new ATOM 66 N ASP A 8 1.425 4.768 0.761 1.00 0.00 N ATOM 67 CA ASP A 8 2.835 4.409 0.853 1.00 0.00 C ATOM 68 C ASP A 8 3.015 2.895 0.805 1.00 0.00 C ATOM 69 O ASP A 8 2.754 2.197 1.786 1.00 0.00 O ATOM 70 CB ASP A 8 3.443 4.966 2.142 1.00 0.00 C ATOM 71 CG ASP A 8 3.591 6.474 2.107 1.00 0.00 C ATOM 72 OD1 ASP A 8 2.578 7.175 2.316 1.00 0.00 O ATOM 73 OD2 ASP A 8 4.719 6.954 1.870 1.00 0.00 O ATOM 0 H ASP A 8 1.036 5.170 1.614 1.00 0.00 H new ATOM 0 HA ASP A 8 3.351 4.846 -0.002 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.815 4.685 2.988 1.00 0.00 H new ATOM 0 HB3 ASP A 8 4.420 4.512 2.305 1.00 0.00 H new ATOM 78 N TYR A 9 3.460 2.393 -0.342 1.00 0.00 N ATOM 79 CA TYR A 9 3.671 0.961 -0.519 1.00 0.00 C ATOM 80 C TYR A 9 4.491 0.385 0.631 1.00 0.00 C ATOM 81 O TYR A 9 4.178 -0.683 1.158 1.00 0.00 O ATOM 82 CB TYR A 9 4.375 0.689 -1.849 1.00 0.00 C ATOM 83 CG TYR A 9 3.612 1.194 -3.053 1.00 0.00 C ATOM 84 CD1 TYR A 9 2.252 0.944 -3.193 1.00 0.00 C ATOM 85 CD2 TYR A 9 4.250 1.922 -4.049 1.00 0.00 C ATOM 86 CE1 TYR A 9 1.552 1.403 -4.292 1.00 0.00 C ATOM 87 CE2 TYR A 9 3.557 2.387 -5.150 1.00 0.00 C ATOM 88 CZ TYR A 9 2.208 2.124 -5.267 1.00 0.00 C ATOM 89 OH TYR A 9 1.513 2.584 -6.362 1.00 0.00 O ATOM 0 H TYR A 9 3.681 2.957 -1.163 1.00 0.00 H new ATOM 0 HA TYR A 9 2.696 0.474 -0.525 1.00 0.00 H new ATOM 0 HB2 TYR A 9 5.360 1.156 -1.831 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.533 -0.384 -1.954 1.00 0.00 H new ATOM 0 HD1 TYR A 9 1.734 0.382 -2.430 1.00 0.00 H new ATOM 0 HD2 TYR A 9 5.306 2.128 -3.961 1.00 0.00 H new ATOM 0 HE1 TYR A 9 0.496 1.198 -4.387 1.00 0.00 H new ATOM 0 HE2 TYR A 9 4.068 2.953 -5.914 1.00 0.00 H new ATOM 0 HH TYR A 9 2.122 3.074 -6.953 1.00 0.00 H new ATOM 99 N TYR A 10 5.542 1.100 1.015 1.00 0.00 N ATOM 100 CA TYR A 10 6.410 0.660 2.101 1.00 0.00 C ATOM 101 C TYR A 10 5.592 0.278 3.331 1.00 0.00 C ATOM 102 O TYR A 10 5.949 -0.644 4.064 1.00 0.00 O ATOM 103 CB TYR A 10 7.409 1.761 2.461 1.00 0.00 C ATOM 104 CG TYR A 10 8.245 2.227 1.291 1.00 0.00 C ATOM 105 CD1 TYR A 10 9.129 1.363 0.655 1.00 0.00 C ATOM 106 CD2 TYR A 10 8.150 3.530 0.819 1.00 0.00 C ATOM 107 CE1 TYR A 10 9.895 1.785 -0.414 1.00 0.00 C ATOM 108 CE2 TYR A 10 8.911 3.960 -0.251 1.00 0.00 C ATOM 109 CZ TYR A 10 9.782 3.084 -0.864 1.00 0.00 C ATOM 110 OH TYR A 10 10.542 3.508 -1.930 1.00 0.00 O ATOM 0 H TYR A 10 5.814 1.987 0.591 1.00 0.00 H new ATOM 0 HA TYR A 10 6.956 -0.220 1.762 1.00 0.00 H new ATOM 0 HB2 TYR A 10 6.866 2.613 2.871 1.00 0.00 H new ATOM 0 HB3 TYR A 10 8.071 1.397 3.247 1.00 0.00 H new ATOM 0 HD1 TYR A 10 9.218 0.344 1.003 1.00 0.00 H new ATOM 0 HD2 TYR A 10 7.469 4.219 1.297 1.00 0.00 H new ATOM 0 HE1 TYR A 10 10.579 1.101 -0.895 1.00 0.00 H new ATOM 0 HE2 TYR A 10 8.824 4.977 -0.605 1.00 0.00 H new ATOM 0 HH TYR A 10 9.959 3.687 -2.697 1.00 0.00 H new ATOM 120 N GLN A 11 4.494 0.994 3.550 1.00 0.00 N ATOM 121 CA GLN A 11 3.625 0.731 4.690 1.00 0.00 C ATOM 122 C GLN A 11 2.716 -0.463 4.418 1.00 0.00 C ATOM 123 O GLN A 11 2.539 -1.329 5.276 1.00 0.00 O ATOM 124 CB GLN A 11 2.782 1.966 5.012 1.00 0.00 C ATOM 125 CG GLN A 11 3.483 2.960 5.923 1.00 0.00 C ATOM 126 CD GLN A 11 3.248 2.671 7.393 1.00 0.00 C ATOM 127 OE1 GLN A 11 2.110 2.677 7.864 1.00 0.00 O ATOM 128 NE2 GLN A 11 4.325 2.417 8.126 1.00 0.00 N ATOM 0 H GLN A 11 4.185 1.761 2.953 1.00 0.00 H new ATOM 0 HA GLN A 11 4.255 0.497 5.548 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.514 2.465 4.081 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.852 1.648 5.483 1.00 0.00 H new ATOM 0 HG2 GLN A 11 4.554 2.941 5.720 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.133 3.966 5.694 1.00 0.00 H new ATOM 0 HE21 GLN A 11 5.249 2.423 7.694 1.00 0.00 H new ATOM 0 HE22 GLN A 11 4.229 2.216 9.121 1.00 0.00 H new ATOM 137 N ILE A 12 2.143 -0.503 3.220 1.00 0.00 N ATOM 138 CA ILE A 12 1.253 -1.591 2.835 1.00 0.00 C ATOM 139 C ILE A 12 1.936 -2.944 3.001 1.00 0.00 C ATOM 140 O ILE A 12 1.338 -3.897 3.502 1.00 0.00 O ATOM 141 CB ILE A 12 0.779 -1.442 1.377 1.00 0.00 C ATOM 142 CG1 ILE A 12 0.015 -0.129 1.198 1.00 0.00 C ATOM 143 CG2 ILE A 12 -0.090 -2.626 0.979 1.00 0.00 C ATOM 144 CD1 ILE A 12 -0.429 0.122 -0.226 1.00 0.00 C ATOM 0 H ILE A 12 2.279 0.206 2.499 1.00 0.00 H new ATOM 0 HA ILE A 12 0.388 -1.540 3.496 1.00 0.00 H new ATOM 0 HB ILE A 12 1.653 -1.423 0.726 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.861 -0.136 1.847 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.647 0.697 1.524 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.417 -2.506 -0.054 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.485 -3.547 1.073 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.961 -2.674 1.632 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.964 1.070 -0.278 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.444 0.161 -0.878 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.087 -0.685 -0.549 1.00 0.00 H new ATOM 156 N LEU A 13 3.193 -3.022 2.578 1.00 0.00 N ATOM 157 CA LEU A 13 3.960 -4.259 2.680 1.00 0.00 C ATOM 158 C LEU A 13 4.520 -4.437 4.088 1.00 0.00 C ATOM 159 O LEU A 13 4.542 -5.544 4.623 1.00 0.00 O ATOM 160 CB LEU A 13 5.100 -4.261 1.661 1.00 0.00 C ATOM 161 CG LEU A 13 4.712 -4.594 0.220 1.00 0.00 C ATOM 162 CD1 LEU A 13 5.830 -4.209 -0.736 1.00 0.00 C ATOM 163 CD2 LEU A 13 4.378 -6.072 0.086 1.00 0.00 C ATOM 0 H LEU A 13 3.703 -2.243 2.161 1.00 0.00 H new ATOM 0 HA LEU A 13 3.290 -5.092 2.467 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.571 -3.278 1.671 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.852 -4.979 1.989 1.00 0.00 H new ATOM 0 HG LEU A 13 3.825 -4.017 -0.040 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.536 -4.453 -1.757 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.021 -3.139 -0.660 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.735 -4.759 -0.478 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.104 -6.291 -0.946 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.247 -6.668 0.365 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.543 -6.317 0.743 1.00 0.00 H new ATOM 175 N GLY A 14 4.971 -3.337 4.684 1.00 0.00 N ATOM 176 CA GLY A 14 5.523 -3.393 6.025 1.00 0.00 C ATOM 177 C GLY A 14 7.038 -3.349 6.030 1.00 0.00 C ATOM 178 O GLY A 14 7.683 -4.012 6.843 1.00 0.00 O ATOM 0 H GLY A 14 4.964 -2.408 4.262 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.136 -2.558 6.609 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.187 -4.307 6.515 1.00 0.00 H new ATOM 182 N VAL A 15 7.610 -2.568 5.119 1.00 0.00 N ATOM 183 CA VAL A 15 9.059 -2.441 5.021 1.00 0.00 C ATOM 184 C VAL A 15 9.493 -0.985 5.143 1.00 0.00 C ATOM 185 O VAL A 15 8.738 -0.059 4.843 1.00 0.00 O ATOM 186 CB VAL A 15 9.584 -3.012 3.690 1.00 0.00 C ATOM 187 CG1 VAL A 15 9.640 -4.531 3.746 1.00 0.00 C ATOM 188 CG2 VAL A 15 8.717 -2.544 2.531 1.00 0.00 C ATOM 0 H VAL A 15 7.091 -2.013 4.438 1.00 0.00 H new ATOM 0 HA VAL A 15 9.483 -3.014 5.846 1.00 0.00 H new ATOM 0 HB VAL A 15 10.596 -2.641 3.529 1.00 0.00 H new ATOM 0 HG11 VAL A 15 10.013 -4.917 2.797 1.00 0.00 H new ATOM 0 HG12 VAL A 15 10.306 -4.841 4.551 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.641 -4.925 3.930 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.102 -2.957 1.599 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.693 -2.884 2.682 1.00 0.00 H new ATOM 0 HG23 VAL A 15 8.734 -1.455 2.480 1.00 0.00 H new ATOM 198 N PRO A 16 10.739 -0.774 5.593 1.00 0.00 N ATOM 199 CA PRO A 16 11.302 0.569 5.764 1.00 0.00 C ATOM 200 C PRO A 16 11.561 1.262 4.431 1.00 0.00 C ATOM 201 O PRO A 16 11.764 0.607 3.408 1.00 0.00 O ATOM 202 CB PRO A 16 12.621 0.309 6.496 1.00 0.00 C ATOM 203 CG PRO A 16 12.991 -1.086 6.128 1.00 0.00 C ATOM 204 CD PRO A 16 11.693 -1.830 5.969 1.00 0.00 C ATOM 0 HA PRO A 16 10.623 1.231 6.302 1.00 0.00 H new ATOM 0 HB2 PRO A 16 13.391 1.017 6.188 1.00 0.00 H new ATOM 0 HB3 PRO A 16 12.503 0.416 7.574 1.00 0.00 H new ATOM 0 HG2 PRO A 16 13.568 -1.106 5.203 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.610 -1.542 6.900 1.00 0.00 H new ATOM 0 HD2 PRO A 16 11.763 -2.600 5.201 1.00 0.00 H new ATOM 0 HD3 PRO A 16 11.399 -2.327 6.893 1.00 0.00 H new ATOM 212 N ARG A 17 11.553 2.591 4.449 1.00 0.00 N ATOM 213 CA ARG A 17 11.786 3.374 3.241 1.00 0.00 C ATOM 214 C ARG A 17 13.104 2.977 2.583 1.00 0.00 C ATOM 215 O ARG A 17 13.292 3.170 1.383 1.00 0.00 O ATOM 216 CB ARG A 17 11.797 4.868 3.570 1.00 0.00 C ATOM 217 CG ARG A 17 10.503 5.363 4.196 1.00 0.00 C ATOM 218 CD ARG A 17 10.711 6.672 4.942 1.00 0.00 C ATOM 219 NE ARG A 17 11.721 6.550 5.990 1.00 0.00 N ATOM 220 CZ ARG A 17 12.103 7.560 6.764 1.00 0.00 C ATOM 221 NH1 ARG A 17 11.561 8.760 6.608 1.00 0.00 N ATOM 222 NH2 ARG A 17 13.028 7.371 7.696 1.00 0.00 N ATOM 0 H ARG A 17 11.388 3.148 5.287 1.00 0.00 H new ATOM 0 HA ARG A 17 10.975 3.169 2.543 1.00 0.00 H new ATOM 0 HB2 ARG A 17 12.623 5.076 4.251 1.00 0.00 H new ATOM 0 HB3 ARG A 17 11.988 5.431 2.657 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.751 5.501 3.419 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.118 4.609 4.882 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.012 7.447 4.237 1.00 0.00 H new ATOM 0 HD3 ARG A 17 9.767 6.992 5.384 1.00 0.00 H new ATOM 0 HE ARG A 17 12.157 5.639 6.136 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.849 8.909 5.893 1.00 0.00 H new ATOM 0 HH12 ARG A 17 11.856 9.534 7.203 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.447 6.449 7.819 1.00 0.00 H new ATOM 0 HH22 ARG A 17 13.320 8.147 8.289 1.00 0.00 H new ATOM 236 N ASN A 18 14.014 2.424 3.378 1.00 0.00 N ATOM 237 CA ASN A 18 15.315 2.001 2.873 1.00 0.00 C ATOM 238 C ASN A 18 15.436 0.480 2.886 1.00 0.00 C ATOM 239 O ASN A 18 16.483 -0.066 3.232 1.00 0.00 O ATOM 240 CB ASN A 18 16.436 2.620 3.711 1.00 0.00 C ATOM 241 CG ASN A 18 16.233 4.105 3.942 1.00 0.00 C ATOM 242 OD1 ASN A 18 15.675 4.805 3.097 1.00 0.00 O ATOM 243 ND2 ASN A 18 16.686 4.592 5.091 1.00 0.00 N ATOM 0 H ASN A 18 13.874 2.258 4.375 1.00 0.00 H new ATOM 0 HA ASN A 18 15.407 2.346 1.843 1.00 0.00 H new ATOM 0 HB2 ASN A 18 16.491 2.110 4.673 1.00 0.00 H new ATOM 0 HB3 ASN A 18 17.391 2.460 3.210 1.00 0.00 H new ATOM 0 HD21 ASN A 18 16.578 5.584 5.303 1.00 0.00 H new ATOM 0 HD22 ASN A 18 17.142 3.974 5.762 1.00 0.00 H new ATOM 250 N ALA A 19 14.358 -0.197 2.505 1.00 0.00 N ATOM 251 CA ALA A 19 14.344 -1.654 2.470 1.00 0.00 C ATOM 252 C ALA A 19 15.306 -2.187 1.414 1.00 0.00 C ATOM 253 O ALA A 19 15.876 -1.421 0.637 1.00 0.00 O ATOM 254 CB ALA A 19 12.934 -2.161 2.206 1.00 0.00 C ATOM 0 H ALA A 19 13.483 0.240 2.216 1.00 0.00 H new ATOM 0 HA ALA A 19 14.674 -2.020 3.442 1.00 0.00 H new ATOM 0 HB1 ALA A 19 12.938 -3.251 2.182 1.00 0.00 H new ATOM 0 HB2 ALA A 19 12.269 -1.817 2.999 1.00 0.00 H new ATOM 0 HB3 ALA A 19 12.583 -1.778 1.247 1.00 0.00 H new ATOM 260 N SER A 20 15.482 -3.504 1.391 1.00 0.00 N ATOM 261 CA SER A 20 16.379 -4.139 0.433 1.00 0.00 C ATOM 262 C SER A 20 15.605 -5.049 -0.516 1.00 0.00 C ATOM 263 O SER A 20 14.616 -5.670 -0.127 1.00 0.00 O ATOM 264 CB SER A 20 17.455 -4.944 1.165 1.00 0.00 C ATOM 265 OG SER A 20 16.928 -6.160 1.667 1.00 0.00 O ATOM 0 H SER A 20 15.015 -4.152 2.025 1.00 0.00 H new ATOM 0 HA SER A 20 16.858 -3.355 -0.153 1.00 0.00 H new ATOM 0 HB2 SER A 20 18.281 -5.155 0.486 1.00 0.00 H new ATOM 0 HB3 SER A 20 17.860 -4.353 1.986 1.00 0.00 H new ATOM 0 HG SER A 20 17.049 -6.192 2.639 1.00 0.00 H new ATOM 271 N GLN A 21 16.063 -5.121 -1.761 1.00 0.00 N ATOM 272 CA GLN A 21 15.413 -5.954 -2.766 1.00 0.00 C ATOM 273 C GLN A 21 14.940 -7.270 -2.159 1.00 0.00 C ATOM 274 O GLN A 21 13.820 -7.716 -2.412 1.00 0.00 O ATOM 275 CB GLN A 21 16.370 -6.229 -3.928 1.00 0.00 C ATOM 276 CG GLN A 21 16.432 -5.102 -4.946 1.00 0.00 C ATOM 277 CD GLN A 21 15.162 -4.986 -5.766 1.00 0.00 C ATOM 278 OE1 GLN A 21 14.966 -5.721 -6.734 1.00 0.00 O ATOM 279 NE2 GLN A 21 14.291 -4.061 -5.381 1.00 0.00 N ATOM 0 H GLN A 21 16.881 -4.613 -2.098 1.00 0.00 H new ATOM 0 HA GLN A 21 14.543 -5.415 -3.141 1.00 0.00 H new ATOM 0 HB2 GLN A 21 17.370 -6.404 -3.531 1.00 0.00 H new ATOM 0 HB3 GLN A 21 16.063 -7.146 -4.432 1.00 0.00 H new ATOM 0 HG2 GLN A 21 16.613 -4.160 -4.429 1.00 0.00 H new ATOM 0 HG3 GLN A 21 17.277 -5.267 -5.614 1.00 0.00 H new ATOM 0 HE21 GLN A 21 14.495 -3.474 -4.572 1.00 0.00 H new ATOM 0 HE22 GLN A 21 13.418 -3.938 -5.894 1.00 0.00 H new ATOM 288 N LYS A 22 15.799 -7.889 -1.357 1.00 0.00 N ATOM 289 CA LYS A 22 15.470 -9.154 -0.712 1.00 0.00 C ATOM 290 C LYS A 22 14.273 -8.994 0.221 1.00 0.00 C ATOM 291 O LYS A 22 13.315 -9.763 0.152 1.00 0.00 O ATOM 292 CB LYS A 22 16.674 -9.680 0.072 1.00 0.00 C ATOM 293 CG LYS A 22 16.499 -11.102 0.575 1.00 0.00 C ATOM 294 CD LYS A 22 16.777 -12.119 -0.519 1.00 0.00 C ATOM 295 CE LYS A 22 18.265 -12.406 -0.648 1.00 0.00 C ATOM 296 NZ LYS A 22 18.523 -13.770 -1.187 1.00 0.00 N ATOM 0 H LYS A 22 16.730 -7.534 -1.138 1.00 0.00 H new ATOM 0 HA LYS A 22 15.209 -9.872 -1.490 1.00 0.00 H new ATOM 0 HB2 LYS A 22 17.558 -9.635 -0.563 1.00 0.00 H new ATOM 0 HB3 LYS A 22 16.858 -9.023 0.922 1.00 0.00 H new ATOM 0 HG2 LYS A 22 17.171 -11.277 1.415 1.00 0.00 H new ATOM 0 HG3 LYS A 22 15.483 -11.235 0.947 1.00 0.00 H new ATOM 0 HD2 LYS A 22 16.244 -13.045 -0.301 1.00 0.00 H new ATOM 0 HD3 LYS A 22 16.393 -11.747 -1.469 1.00 0.00 H new ATOM 0 HE2 LYS A 22 18.722 -11.664 -1.303 1.00 0.00 H new ATOM 0 HE3 LYS A 22 18.740 -12.305 0.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 19.549 -13.926 -1.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 18.109 -14.479 -0.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 18.092 -13.858 -2.129 1.00 0.00 H new ATOM 310 N GLU A 23 14.336 -7.991 1.090 1.00 0.00 N ATOM 311 CA GLU A 23 13.257 -7.731 2.035 1.00 0.00 C ATOM 312 C GLU A 23 11.941 -7.484 1.304 1.00 0.00 C ATOM 313 O GLU A 23 10.898 -8.016 1.684 1.00 0.00 O ATOM 314 CB GLU A 23 13.598 -6.527 2.915 1.00 0.00 C ATOM 315 CG GLU A 23 14.354 -6.893 4.181 1.00 0.00 C ATOM 316 CD GLU A 23 15.494 -7.858 3.922 1.00 0.00 C ATOM 317 OE1 GLU A 23 15.220 -9.057 3.708 1.00 0.00 O ATOM 318 OE2 GLU A 23 16.661 -7.414 3.933 1.00 0.00 O ATOM 0 H GLU A 23 15.123 -7.345 1.159 1.00 0.00 H new ATOM 0 HA GLU A 23 13.142 -8.612 2.666 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.195 -5.822 2.336 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.676 -6.014 3.188 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.748 -5.986 4.639 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.662 -7.337 4.897 1.00 0.00 H new ATOM 325 N ILE A 24 11.998 -6.672 0.253 1.00 0.00 N ATOM 326 CA ILE A 24 10.812 -6.354 -0.532 1.00 0.00 C ATOM 327 C ILE A 24 10.164 -7.619 -1.086 1.00 0.00 C ATOM 328 O ILE A 24 8.949 -7.797 -0.999 1.00 0.00 O ATOM 329 CB ILE A 24 11.147 -5.408 -1.700 1.00 0.00 C ATOM 330 CG1 ILE A 24 11.575 -4.039 -1.170 1.00 0.00 C ATOM 331 CG2 ILE A 24 9.951 -5.272 -2.631 1.00 0.00 C ATOM 332 CD1 ILE A 24 12.145 -3.129 -2.235 1.00 0.00 C ATOM 0 H ILE A 24 12.853 -6.223 -0.074 1.00 0.00 H new ATOM 0 HA ILE A 24 10.113 -5.855 0.140 1.00 0.00 H new ATOM 0 HB ILE A 24 11.977 -5.833 -2.265 1.00 0.00 H new ATOM 0 HG12 ILE A 24 10.715 -3.552 -0.710 1.00 0.00 H new ATOM 0 HG13 ILE A 24 12.320 -4.179 -0.386 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.203 -4.600 -3.452 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.688 -6.251 -3.031 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.104 -4.867 -2.078 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.427 -2.176 -1.787 1.00 0.00 H new ATOM 0 HD12 ILE A 24 13.024 -3.595 -2.679 1.00 0.00 H new ATOM 0 HD13 ILE A 24 11.395 -2.959 -3.008 1.00 0.00 H new ATOM 344 N LYS A 25 10.984 -8.496 -1.655 1.00 0.00 N ATOM 345 CA LYS A 25 10.493 -9.747 -2.221 1.00 0.00 C ATOM 346 C LYS A 25 9.916 -10.647 -1.133 1.00 0.00 C ATOM 347 O LYS A 25 8.750 -11.040 -1.192 1.00 0.00 O ATOM 348 CB LYS A 25 11.622 -10.476 -2.954 1.00 0.00 C ATOM 349 CG LYS A 25 11.149 -11.674 -3.760 1.00 0.00 C ATOM 350 CD LYS A 25 12.250 -12.709 -3.919 1.00 0.00 C ATOM 351 CE LYS A 25 11.725 -13.988 -4.553 1.00 0.00 C ATOM 352 NZ LYS A 25 11.474 -13.820 -6.012 1.00 0.00 N ATOM 0 H LYS A 25 11.992 -8.363 -1.736 1.00 0.00 H new ATOM 0 HA LYS A 25 9.700 -9.510 -2.930 1.00 0.00 H new ATOM 0 HB2 LYS A 25 12.123 -9.775 -3.621 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.362 -10.808 -2.226 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.289 -12.129 -3.267 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.815 -11.343 -4.743 1.00 0.00 H new ATOM 0 HD2 LYS A 25 13.051 -12.299 -4.534 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.682 -12.935 -2.944 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.444 -14.792 -4.398 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.801 -14.287 -4.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.117 -14.713 -6.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.769 -13.070 -6.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.361 -13.560 -6.489 1.00 0.00 H new ATOM 366 N LYS A 26 10.737 -10.969 -0.140 1.00 0.00 N ATOM 367 CA LYS A 26 10.308 -11.820 0.964 1.00 0.00 C ATOM 368 C LYS A 26 9.022 -11.290 1.591 1.00 0.00 C ATOM 369 O LYS A 26 8.058 -12.033 1.775 1.00 0.00 O ATOM 370 CB LYS A 26 11.407 -11.908 2.025 1.00 0.00 C ATOM 371 CG LYS A 26 11.193 -13.025 3.031 1.00 0.00 C ATOM 372 CD LYS A 26 12.501 -13.456 3.672 1.00 0.00 C ATOM 373 CE LYS A 26 12.798 -12.651 4.928 1.00 0.00 C ATOM 374 NZ LYS A 26 11.743 -12.829 5.964 1.00 0.00 N ATOM 0 H LYS A 26 11.705 -10.653 -0.077 1.00 0.00 H new ATOM 0 HA LYS A 26 10.115 -12.817 0.568 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.367 -12.055 1.530 1.00 0.00 H new ATOM 0 HB3 LYS A 26 11.464 -10.958 2.556 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.500 -12.692 3.804 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.731 -13.879 2.535 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.454 -14.516 3.921 1.00 0.00 H new ATOM 0 HD3 LYS A 26 13.315 -13.332 2.958 1.00 0.00 H new ATOM 0 HE2 LYS A 26 13.762 -12.956 5.335 1.00 0.00 H new ATOM 0 HE3 LYS A 26 12.880 -11.595 4.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 12.153 -12.676 6.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.979 -12.142 5.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.359 -13.794 5.906 1.00 0.00 H new ATOM 388 N ALA A 27 9.015 -10.001 1.916 1.00 0.00 N ATOM 389 CA ALA A 27 7.847 -9.372 2.519 1.00 0.00 C ATOM 390 C ALA A 27 6.612 -9.554 1.643 1.00 0.00 C ATOM 391 O ALA A 27 5.593 -10.081 2.091 1.00 0.00 O ATOM 392 CB ALA A 27 8.111 -7.893 2.762 1.00 0.00 C ATOM 0 H ALA A 27 9.805 -9.372 1.772 1.00 0.00 H new ATOM 0 HA ALA A 27 7.656 -9.858 3.476 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.230 -7.435 3.213 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.962 -7.781 3.434 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.330 -7.402 1.814 1.00 0.00 H new ATOM 398 N TYR A 28 6.708 -9.114 0.394 1.00 0.00 N ATOM 399 CA TYR A 28 5.597 -9.225 -0.544 1.00 0.00 C ATOM 400 C TYR A 28 4.897 -10.573 -0.401 1.00 0.00 C ATOM 401 O TYR A 28 3.692 -10.636 -0.156 1.00 0.00 O ATOM 402 CB TYR A 28 6.094 -9.046 -1.979 1.00 0.00 C ATOM 403 CG TYR A 28 5.069 -9.420 -3.026 1.00 0.00 C ATOM 404 CD1 TYR A 28 3.804 -8.848 -3.024 1.00 0.00 C ATOM 405 CD2 TYR A 28 5.367 -10.347 -4.018 1.00 0.00 C ATOM 406 CE1 TYR A 28 2.864 -9.188 -3.977 1.00 0.00 C ATOM 407 CE2 TYR A 28 4.434 -10.691 -4.977 1.00 0.00 C ATOM 408 CZ TYR A 28 3.184 -10.109 -4.952 1.00 0.00 C ATOM 409 OH TYR A 28 2.251 -10.450 -5.905 1.00 0.00 O ATOM 0 H TYR A 28 7.544 -8.677 0.007 1.00 0.00 H new ATOM 0 HA TYR A 28 4.880 -8.437 -0.314 1.00 0.00 H new ATOM 0 HB2 TYR A 28 6.388 -8.007 -2.126 1.00 0.00 H new ATOM 0 HB3 TYR A 28 6.987 -9.654 -2.124 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.550 -8.124 -2.264 1.00 0.00 H new ATOM 0 HD2 TYR A 28 6.344 -10.806 -4.039 1.00 0.00 H new ATOM 0 HE1 TYR A 28 1.884 -8.735 -3.959 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.682 -11.412 -5.742 1.00 0.00 H new ATOM 0 HH TYR A 28 2.636 -11.110 -6.518 1.00 0.00 H new ATOM 419 N TYR A 29 5.661 -11.648 -0.554 1.00 0.00 N ATOM 420 CA TYR A 29 5.115 -12.996 -0.443 1.00 0.00 C ATOM 421 C TYR A 29 4.533 -13.236 0.947 1.00 0.00 C ATOM 422 O TYR A 29 3.423 -13.749 1.086 1.00 0.00 O ATOM 423 CB TYR A 29 6.198 -14.034 -0.741 1.00 0.00 C ATOM 424 CG TYR A 29 6.384 -14.308 -2.216 1.00 0.00 C ATOM 425 CD1 TYR A 29 5.334 -14.782 -2.993 1.00 0.00 C ATOM 426 CD2 TYR A 29 7.611 -14.096 -2.834 1.00 0.00 C ATOM 427 CE1 TYR A 29 5.499 -15.035 -4.341 1.00 0.00 C ATOM 428 CE2 TYR A 29 7.785 -14.345 -4.181 1.00 0.00 C ATOM 429 CZ TYR A 29 6.726 -14.814 -4.930 1.00 0.00 C ATOM 430 OH TYR A 29 6.896 -15.065 -6.273 1.00 0.00 O ATOM 0 H TYR A 29 6.660 -11.613 -0.755 1.00 0.00 H new ATOM 0 HA TYR A 29 4.313 -13.097 -1.175 1.00 0.00 H new ATOM 0 HB2 TYR A 29 7.144 -13.691 -0.322 1.00 0.00 H new ATOM 0 HB3 TYR A 29 5.945 -14.966 -0.236 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.372 -14.956 -2.535 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.443 -13.730 -2.250 1.00 0.00 H new ATOM 0 HE1 TYR A 29 4.672 -15.404 -4.930 1.00 0.00 H new ATOM 0 HE2 TYR A 29 8.745 -14.173 -4.645 1.00 0.00 H new ATOM 0 HH TYR A 29 7.818 -14.856 -6.531 1.00 0.00 H new ATOM 440 N GLN A 30 5.292 -12.860 1.971 1.00 0.00 N ATOM 441 CA GLN A 30 4.852 -13.035 3.351 1.00 0.00 C ATOM 442 C GLN A 30 3.455 -12.457 3.554 1.00 0.00 C ATOM 443 O GLN A 30 2.564 -13.129 4.076 1.00 0.00 O ATOM 444 CB GLN A 30 5.838 -12.366 4.310 1.00 0.00 C ATOM 445 CG GLN A 30 6.972 -13.278 4.751 1.00 0.00 C ATOM 446 CD GLN A 30 6.479 -14.505 5.493 1.00 0.00 C ATOM 447 OE1 GLN A 30 6.281 -15.565 4.899 1.00 0.00 O ATOM 448 NE2 GLN A 30 6.278 -14.367 6.798 1.00 0.00 N ATOM 0 H GLN A 30 6.213 -12.433 1.872 1.00 0.00 H new ATOM 0 HA GLN A 30 4.817 -14.104 3.563 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.259 -11.484 3.828 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.297 -12.020 5.191 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.542 -13.592 3.876 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.654 -12.720 5.392 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.455 -13.470 7.249 1.00 0.00 H new ATOM 0 HE22 GLN A 30 5.946 -15.158 7.349 1.00 0.00 H new ATOM 457 N LEU A 31 3.271 -11.209 3.139 1.00 0.00 N ATOM 458 CA LEU A 31 1.981 -10.540 3.276 1.00 0.00 C ATOM 459 C LEU A 31 0.933 -11.191 2.379 1.00 0.00 C ATOM 460 O LEU A 31 -0.157 -11.538 2.834 1.00 0.00 O ATOM 461 CB LEU A 31 2.115 -9.056 2.929 1.00 0.00 C ATOM 462 CG LEU A 31 2.684 -8.159 4.028 1.00 0.00 C ATOM 463 CD1 LEU A 31 1.696 -8.030 5.177 1.00 0.00 C ATOM 464 CD2 LEU A 31 4.015 -8.704 4.526 1.00 0.00 C ATOM 0 H LEU A 31 3.998 -10.640 2.705 1.00 0.00 H new ATOM 0 HA LEU A 31 1.657 -10.637 4.312 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.751 -8.965 2.048 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.131 -8.678 2.652 1.00 0.00 H new ATOM 0 HG LEU A 31 2.854 -7.167 3.609 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.119 -7.388 5.950 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.767 -7.594 4.811 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.494 -9.016 5.595 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.405 -8.053 5.308 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.870 -9.707 4.928 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.724 -8.743 3.699 1.00 0.00 H new ATOM 476 N ALA A 32 1.271 -11.355 1.105 1.00 0.00 N ATOM 477 CA ALA A 32 0.360 -11.968 0.146 1.00 0.00 C ATOM 478 C ALA A 32 -0.268 -13.234 0.717 1.00 0.00 C ATOM 479 O ALA A 32 -1.491 -13.378 0.741 1.00 0.00 O ATOM 480 CB ALA A 32 1.091 -12.278 -1.152 1.00 0.00 C ATOM 0 H ALA A 32 2.169 -11.072 0.713 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.441 -11.259 -0.061 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.399 -12.735 -1.859 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.486 -11.355 -1.576 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.912 -12.966 -0.952 1.00 0.00 H new ATOM 486 N LYS A 33 0.576 -14.152 1.177 1.00 0.00 N ATOM 487 CA LYS A 33 0.104 -15.407 1.749 1.00 0.00 C ATOM 488 C LYS A 33 -0.799 -15.152 2.952 1.00 0.00 C ATOM 489 O LYS A 33 -1.763 -15.882 3.184 1.00 0.00 O ATOM 490 CB LYS A 33 1.291 -16.280 2.166 1.00 0.00 C ATOM 491 CG LYS A 33 2.168 -16.709 1.002 1.00 0.00 C ATOM 492 CD LYS A 33 1.642 -17.973 0.344 1.00 0.00 C ATOM 493 CE LYS A 33 2.003 -19.212 1.149 1.00 0.00 C ATOM 494 NZ LYS A 33 3.411 -19.636 0.913 1.00 0.00 N ATOM 0 H LYS A 33 1.591 -14.050 1.165 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.474 -15.929 0.987 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.899 -15.732 2.886 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.917 -17.168 2.675 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.215 -15.907 0.266 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.185 -16.878 1.355 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.559 -17.907 0.241 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.053 -18.059 -0.662 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.857 -19.011 2.210 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.329 -20.027 0.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.618 -20.483 1.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.544 -19.853 -0.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.056 -18.868 1.190 1.00 0.00 H new ATOM 508 N LYS A 34 -0.482 -14.110 3.713 1.00 0.00 N ATOM 509 CA LYS A 34 -1.265 -13.755 4.891 1.00 0.00 C ATOM 510 C LYS A 34 -2.636 -13.220 4.490 1.00 0.00 C ATOM 511 O LYS A 34 -3.646 -13.538 5.120 1.00 0.00 O ATOM 512 CB LYS A 34 -0.523 -12.711 5.728 1.00 0.00 C ATOM 513 CG LYS A 34 -1.229 -12.358 7.025 1.00 0.00 C ATOM 514 CD LYS A 34 -2.192 -11.198 6.837 1.00 0.00 C ATOM 515 CE LYS A 34 -3.140 -11.064 8.019 1.00 0.00 C ATOM 516 NZ LYS A 34 -4.046 -12.240 8.139 1.00 0.00 N ATOM 0 H LYS A 34 0.313 -13.496 3.535 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.405 -14.656 5.488 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.475 -13.084 5.957 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.396 -11.805 5.135 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.773 -13.228 7.393 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -0.490 -12.100 7.784 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.629 -10.273 6.714 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.767 -11.345 5.923 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.563 -10.955 8.937 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.735 -10.157 7.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.017 -11.913 8.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.022 -12.788 7.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.733 -12.841 8.928 1.00 0.00 H new ATOM 530 N TYR A 35 -2.665 -12.407 3.440 1.00 0.00 N ATOM 531 CA TYR A 35 -3.913 -11.827 2.957 1.00 0.00 C ATOM 532 C TYR A 35 -4.401 -12.550 1.705 1.00 0.00 C ATOM 533 O TYR A 35 -4.920 -11.928 0.777 1.00 0.00 O ATOM 534 CB TYR A 35 -3.726 -10.338 2.660 1.00 0.00 C ATOM 535 CG TYR A 35 -3.467 -9.503 3.893 1.00 0.00 C ATOM 536 CD1 TYR A 35 -4.479 -9.253 4.812 1.00 0.00 C ATOM 537 CD2 TYR A 35 -2.211 -8.962 4.138 1.00 0.00 C ATOM 538 CE1 TYR A 35 -4.247 -8.489 5.940 1.00 0.00 C ATOM 539 CE2 TYR A 35 -1.969 -8.199 5.264 1.00 0.00 C ATOM 540 CZ TYR A 35 -2.990 -7.965 6.162 1.00 0.00 C ATOM 541 OH TYR A 35 -2.754 -7.204 7.284 1.00 0.00 O ATOM 0 H TYR A 35 -1.839 -12.135 2.907 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.665 -11.943 3.738 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -2.893 -10.216 1.967 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -4.617 -9.962 2.157 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -5.464 -9.663 4.642 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.410 -9.141 3.436 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.045 -8.303 6.644 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -0.986 -7.788 5.440 1.00 0.00 H new ATOM 0 HH TYR A 35 -1.818 -6.913 7.291 1.00 0.00 H new ATOM 551 N HIS A 36 -4.230 -13.868 1.686 1.00 0.00 N ATOM 552 CA HIS A 36 -4.654 -14.677 0.549 1.00 0.00 C ATOM 553 C HIS A 36 -6.176 -14.717 0.447 1.00 0.00 C ATOM 554 O HIS A 36 -6.887 -14.799 1.449 1.00 0.00 O ATOM 555 CB HIS A 36 -4.103 -16.098 0.674 1.00 0.00 C ATOM 556 CG HIS A 36 -3.847 -16.759 -0.645 1.00 0.00 C ATOM 557 ND1 HIS A 36 -4.462 -17.931 -1.032 1.00 0.00 N ATOM 558 CD2 HIS A 36 -3.037 -16.405 -1.671 1.00 0.00 C ATOM 559 CE1 HIS A 36 -4.041 -18.270 -2.237 1.00 0.00 C ATOM 560 NE2 HIS A 36 -3.176 -17.360 -2.648 1.00 0.00 N ATOM 0 H HIS A 36 -3.801 -14.398 2.445 1.00 0.00 H new ATOM 0 HA HIS A 36 -4.259 -14.220 -0.358 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -3.174 -16.070 1.243 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -4.808 -16.703 1.244 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -2.400 -15.534 -1.713 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -4.351 -19.143 -2.792 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -2.690 -17.366 -3.545 1.00 0.00 H new ATOM 568 N PRO A 37 -6.688 -14.656 -0.791 1.00 0.00 N ATOM 569 CA PRO A 37 -8.131 -14.683 -1.052 1.00 0.00 C ATOM 570 C PRO A 37 -8.748 -16.046 -0.758 1.00 0.00 C ATOM 571 O PRO A 37 -9.936 -16.146 -0.452 1.00 0.00 O ATOM 572 CB PRO A 37 -8.226 -14.364 -2.547 1.00 0.00 C ATOM 573 CG PRO A 37 -6.917 -14.798 -3.111 1.00 0.00 C ATOM 574 CD PRO A 37 -5.900 -14.557 -2.030 1.00 0.00 C ATOM 0 HA PRO A 37 -8.674 -13.983 -0.417 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.054 -14.897 -3.014 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.396 -13.301 -2.715 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.944 -15.850 -3.394 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.673 -14.232 -4.010 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.101 -15.298 -2.058 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.431 -13.578 -2.131 1.00 0.00 H new ATOM 582 N ASP A 38 -7.934 -17.091 -0.852 1.00 0.00 N ATOM 583 CA ASP A 38 -8.400 -18.449 -0.594 1.00 0.00 C ATOM 584 C ASP A 38 -8.760 -18.630 0.877 1.00 0.00 C ATOM 585 O ASP A 38 -9.891 -18.982 1.213 1.00 0.00 O ATOM 586 CB ASP A 38 -7.330 -19.464 -0.999 1.00 0.00 C ATOM 587 CG ASP A 38 -7.100 -19.497 -2.497 1.00 0.00 C ATOM 588 OD1 ASP A 38 -6.832 -18.425 -3.080 1.00 0.00 O ATOM 589 OD2 ASP A 38 -7.188 -20.594 -3.087 1.00 0.00 O ATOM 0 H ASP A 38 -6.948 -17.024 -1.105 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.295 -18.619 -1.192 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.394 -19.221 -0.496 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -7.627 -20.456 -0.658 1.00 0.00 H new ATOM 594 N THR A 39 -7.789 -18.387 1.753 1.00 0.00 N ATOM 595 CA THR A 39 -8.002 -18.525 3.188 1.00 0.00 C ATOM 596 C THR A 39 -9.032 -17.520 3.690 1.00 0.00 C ATOM 597 O THR A 39 -9.773 -17.795 4.632 1.00 0.00 O ATOM 598 CB THR A 39 -6.689 -18.334 3.971 1.00 0.00 C ATOM 599 OG1 THR A 39 -6.939 -18.435 5.378 1.00 0.00 O ATOM 600 CG2 THR A 39 -6.064 -16.983 3.658 1.00 0.00 C ATOM 0 H THR A 39 -6.847 -18.094 1.493 1.00 0.00 H new ATOM 0 HA THR A 39 -8.373 -19.536 3.357 1.00 0.00 H new ATOM 0 HB THR A 39 -5.994 -19.117 3.668 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.099 -18.314 5.869 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.138 -16.871 4.222 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.849 -16.920 2.591 1.00 0.00 H new ATOM 0 HG23 THR A 39 -6.757 -16.189 3.936 1.00 0.00 H new ATOM 608 N ASN A 40 -9.072 -16.353 3.054 1.00 0.00 N ATOM 609 CA ASN A 40 -10.012 -15.307 3.437 1.00 0.00 C ATOM 610 C ASN A 40 -11.337 -15.468 2.698 1.00 0.00 C ATOM 611 O ASN A 40 -11.562 -14.846 1.660 1.00 0.00 O ATOM 612 CB ASN A 40 -9.418 -13.927 3.146 1.00 0.00 C ATOM 613 CG ASN A 40 -8.636 -13.374 4.322 1.00 0.00 C ATOM 614 OD1 ASN A 40 -9.213 -12.845 5.272 1.00 0.00 O ATOM 615 ND2 ASN A 40 -7.315 -13.495 4.263 1.00 0.00 N ATOM 0 H ASN A 40 -8.465 -16.109 2.272 1.00 0.00 H new ATOM 0 HA ASN A 40 -10.200 -15.397 4.507 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -8.764 -13.992 2.277 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -10.221 -13.236 2.890 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -6.736 -13.142 5.025 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -6.879 -13.941 3.456 1.00 0.00 H new ATOM 622 N LYS A 41 -12.212 -16.308 3.241 1.00 0.00 N ATOM 623 CA LYS A 41 -13.516 -16.551 2.636 1.00 0.00 C ATOM 624 C LYS A 41 -14.524 -15.492 3.072 1.00 0.00 C ATOM 625 O LYS A 41 -15.179 -14.865 2.238 1.00 0.00 O ATOM 626 CB LYS A 41 -14.027 -17.943 3.017 1.00 0.00 C ATOM 627 CG LYS A 41 -13.069 -19.063 2.649 1.00 0.00 C ATOM 628 CD LYS A 41 -12.973 -19.242 1.143 1.00 0.00 C ATOM 629 CE LYS A 41 -14.006 -20.236 0.633 1.00 0.00 C ATOM 630 NZ LYS A 41 -13.575 -20.881 -0.638 1.00 0.00 N ATOM 0 H LYS A 41 -12.041 -16.832 4.099 1.00 0.00 H new ATOM 0 HA LYS A 41 -13.402 -16.496 1.553 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -14.212 -17.972 4.091 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -14.984 -18.117 2.524 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -12.081 -18.846 3.054 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -13.403 -19.994 3.106 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -13.118 -18.280 0.651 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.973 -19.587 0.879 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -14.177 -21.002 1.389 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -14.956 -19.725 0.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.306 -21.551 -0.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.436 -20.153 -1.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.682 -21.391 -0.483 1.00 0.00 H new ATOM 644 N ASP A 42 -14.643 -15.297 4.380 1.00 0.00 N ATOM 645 CA ASP A 42 -15.569 -14.312 4.926 1.00 0.00 C ATOM 646 C ASP A 42 -14.896 -12.950 5.060 1.00 0.00 C ATOM 647 O ASP A 42 -15.205 -12.181 5.971 1.00 0.00 O ATOM 648 CB ASP A 42 -16.094 -14.772 6.287 1.00 0.00 C ATOM 649 CG ASP A 42 -17.406 -14.109 6.656 1.00 0.00 C ATOM 650 OD1 ASP A 42 -18.445 -14.482 6.070 1.00 0.00 O ATOM 651 OD2 ASP A 42 -17.395 -13.219 7.531 1.00 0.00 O ATOM 0 H ASP A 42 -14.109 -15.808 5.083 1.00 0.00 H new ATOM 0 HA ASP A 42 -16.408 -14.217 4.236 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -16.228 -15.854 6.275 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -15.351 -14.551 7.053 1.00 0.00 H new ATOM 656 N ASP A 43 -13.975 -12.658 4.149 1.00 0.00 N ATOM 657 CA ASP A 43 -13.258 -11.388 4.166 1.00 0.00 C ATOM 658 C ASP A 43 -13.282 -10.732 2.788 1.00 0.00 C ATOM 659 O ASP A 43 -12.365 -10.892 1.982 1.00 0.00 O ATOM 660 CB ASP A 43 -11.813 -11.600 4.618 1.00 0.00 C ATOM 661 CG ASP A 43 -11.656 -11.493 6.122 1.00 0.00 C ATOM 662 OD1 ASP A 43 -11.559 -10.356 6.630 1.00 0.00 O ATOM 663 OD2 ASP A 43 -11.630 -12.547 6.792 1.00 0.00 O ATOM 0 H ASP A 43 -13.707 -13.283 3.389 1.00 0.00 H new ATOM 0 HA ASP A 43 -13.758 -10.726 4.873 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -11.473 -12.582 4.289 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -11.172 -10.862 4.135 1.00 0.00 H new ATOM 668 N PRO A 44 -14.355 -9.978 2.510 1.00 0.00 N ATOM 669 CA PRO A 44 -14.525 -9.283 1.231 1.00 0.00 C ATOM 670 C PRO A 44 -13.546 -8.126 1.065 1.00 0.00 C ATOM 671 O PRO A 44 -13.210 -7.738 -0.054 1.00 0.00 O ATOM 672 CB PRO A 44 -15.963 -8.762 1.297 1.00 0.00 C ATOM 673 CG PRO A 44 -16.253 -8.638 2.753 1.00 0.00 C ATOM 674 CD PRO A 44 -15.486 -9.743 3.424 1.00 0.00 C ATOM 0 HA PRO A 44 -14.334 -9.940 0.382 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -16.060 -7.802 0.791 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -16.656 -9.450 0.812 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -15.944 -7.663 3.131 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -17.322 -8.731 2.947 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.146 -9.450 4.417 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -16.096 -10.638 3.547 1.00 0.00 H new ATOM 682 N LYS A 45 -13.091 -7.577 2.186 1.00 0.00 N ATOM 683 CA LYS A 45 -12.149 -6.464 2.167 1.00 0.00 C ATOM 684 C LYS A 45 -10.763 -6.932 1.733 1.00 0.00 C ATOM 685 O LYS A 45 -10.057 -6.227 1.014 1.00 0.00 O ATOM 686 CB LYS A 45 -12.069 -5.812 3.549 1.00 0.00 C ATOM 687 CG LYS A 45 -13.375 -5.179 3.999 1.00 0.00 C ATOM 688 CD LYS A 45 -13.574 -3.808 3.374 1.00 0.00 C ATOM 689 CE LYS A 45 -12.713 -2.755 4.055 1.00 0.00 C ATOM 690 NZ LYS A 45 -12.747 -1.456 3.327 1.00 0.00 N ATOM 0 H LYS A 45 -13.360 -7.885 3.120 1.00 0.00 H new ATOM 0 HA LYS A 45 -12.508 -5.729 1.446 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -11.768 -6.563 4.279 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -11.290 -5.049 3.537 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.208 -5.828 3.728 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.382 -5.089 5.085 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -13.327 -3.851 2.313 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -14.624 -3.523 3.446 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -13.060 -2.608 5.078 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -11.684 -3.111 4.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -12.148 -0.765 3.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -12.392 -1.591 2.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -13.725 -1.104 3.291 1.00 0.00 H new ATOM 704 N ALA A 46 -10.382 -8.126 2.175 1.00 0.00 N ATOM 705 CA ALA A 46 -9.083 -8.689 1.829 1.00 0.00 C ATOM 706 C ALA A 46 -8.832 -8.611 0.327 1.00 0.00 C ATOM 707 O ALA A 46 -7.811 -8.086 -0.116 1.00 0.00 O ATOM 708 CB ALA A 46 -8.988 -10.131 2.307 1.00 0.00 C ATOM 0 H ALA A 46 -10.954 -8.722 2.773 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.315 -8.100 2.330 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -8.013 -10.539 2.042 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.113 -10.165 3.389 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.770 -10.724 1.833 1.00 0.00 H new ATOM 714 N LYS A 47 -9.771 -9.137 -0.453 1.00 0.00 N ATOM 715 CA LYS A 47 -9.653 -9.126 -1.906 1.00 0.00 C ATOM 716 C LYS A 47 -9.045 -7.815 -2.393 1.00 0.00 C ATOM 717 O LYS A 47 -8.285 -7.795 -3.361 1.00 0.00 O ATOM 718 CB LYS A 47 -11.025 -9.335 -2.551 1.00 0.00 C ATOM 719 CG LYS A 47 -10.966 -9.539 -4.055 1.00 0.00 C ATOM 720 CD LYS A 47 -12.277 -10.084 -4.596 1.00 0.00 C ATOM 721 CE LYS A 47 -13.330 -8.992 -4.708 1.00 0.00 C ATOM 722 NZ LYS A 47 -12.975 -7.981 -5.741 1.00 0.00 N ATOM 0 H LYS A 47 -10.622 -9.576 -0.103 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.993 -9.943 -2.198 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.504 -10.201 -2.094 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -11.654 -8.472 -2.334 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -10.736 -8.592 -4.543 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -10.157 -10.228 -4.298 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -12.110 -10.532 -5.576 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.641 -10.876 -3.942 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -14.293 -9.440 -4.955 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -13.446 -8.499 -3.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -13.830 -7.464 -6.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -12.282 -7.312 -5.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -12.564 -8.459 -6.568 1.00 0.00 H new ATOM 736 N GLU A 48 -9.384 -6.722 -1.716 1.00 0.00 N ATOM 737 CA GLU A 48 -8.870 -5.407 -2.080 1.00 0.00 C ATOM 738 C GLU A 48 -7.448 -5.217 -1.563 1.00 0.00 C ATOM 739 O GLU A 48 -6.602 -4.631 -2.240 1.00 0.00 O ATOM 740 CB GLU A 48 -9.778 -4.308 -1.525 1.00 0.00 C ATOM 741 CG GLU A 48 -9.105 -2.949 -1.437 1.00 0.00 C ATOM 742 CD GLU A 48 -10.089 -1.802 -1.559 1.00 0.00 C ATOM 743 OE1 GLU A 48 -10.680 -1.416 -0.529 1.00 0.00 O ATOM 744 OE2 GLU A 48 -10.267 -1.289 -2.684 1.00 0.00 O ATOM 0 H GLU A 48 -10.012 -6.721 -0.913 1.00 0.00 H new ATOM 0 HA GLU A 48 -8.854 -5.340 -3.168 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.662 -4.226 -2.157 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.121 -4.599 -0.532 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.577 -2.870 -0.487 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.357 -2.866 -2.225 1.00 0.00 H new ATOM 751 N LYS A 49 -7.191 -5.715 -0.358 1.00 0.00 N ATOM 752 CA LYS A 49 -5.871 -5.601 0.252 1.00 0.00 C ATOM 753 C LYS A 49 -4.819 -6.312 -0.593 1.00 0.00 C ATOM 754 O LYS A 49 -3.772 -5.744 -0.905 1.00 0.00 O ATOM 755 CB LYS A 49 -5.888 -6.188 1.665 1.00 0.00 C ATOM 756 CG LYS A 49 -6.237 -5.173 2.740 1.00 0.00 C ATOM 757 CD LYS A 49 -6.904 -5.834 3.935 1.00 0.00 C ATOM 758 CE LYS A 49 -7.385 -4.803 4.945 1.00 0.00 C ATOM 759 NZ LYS A 49 -7.447 -5.364 6.323 1.00 0.00 N ATOM 0 H LYS A 49 -7.880 -6.202 0.216 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.613 -4.543 0.308 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.608 -7.006 1.701 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.909 -6.615 1.884 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.332 -4.660 3.065 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.901 -4.415 2.324 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.748 -6.434 3.596 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.201 -6.515 4.415 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.716 -3.943 4.933 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.372 -4.443 4.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.779 -4.631 6.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.105 -6.169 6.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.500 -5.684 6.610 1.00 0.00 H new ATOM 773 N PHE A 50 -5.103 -7.557 -0.960 1.00 0.00 N ATOM 774 CA PHE A 50 -4.181 -8.346 -1.769 1.00 0.00 C ATOM 775 C PHE A 50 -3.778 -7.587 -3.030 1.00 0.00 C ATOM 776 O PHE A 50 -2.595 -7.483 -3.354 1.00 0.00 O ATOM 777 CB PHE A 50 -4.817 -9.685 -2.147 1.00 0.00 C ATOM 778 CG PHE A 50 -3.844 -10.666 -2.734 1.00 0.00 C ATOM 779 CD1 PHE A 50 -3.524 -10.624 -4.082 1.00 0.00 C ATOM 780 CD2 PHE A 50 -3.248 -11.632 -1.938 1.00 0.00 C ATOM 781 CE1 PHE A 50 -2.629 -11.526 -4.625 1.00 0.00 C ATOM 782 CE2 PHE A 50 -2.352 -12.536 -2.476 1.00 0.00 C ATOM 783 CZ PHE A 50 -2.042 -12.484 -3.821 1.00 0.00 C ATOM 0 H PHE A 50 -5.965 -8.042 -0.710 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.285 -8.532 -1.176 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.273 -10.125 -1.260 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -5.619 -9.508 -2.864 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.980 -9.877 -4.716 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.487 -11.679 -0.886 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.389 -11.482 -5.677 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.894 -13.283 -1.845 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.343 -13.190 -4.243 1.00 0.00 H new ATOM 793 N SER A 51 -4.771 -7.058 -3.737 1.00 0.00 N ATOM 794 CA SER A 51 -4.522 -6.312 -4.966 1.00 0.00 C ATOM 795 C SER A 51 -3.471 -5.229 -4.739 1.00 0.00 C ATOM 796 O SER A 51 -2.575 -5.039 -5.561 1.00 0.00 O ATOM 797 CB SER A 51 -5.819 -5.682 -5.477 1.00 0.00 C ATOM 798 OG SER A 51 -6.828 -6.662 -5.650 1.00 0.00 O ATOM 0 H SER A 51 -5.755 -7.132 -3.480 1.00 0.00 H new ATOM 0 HA SER A 51 -4.146 -7.008 -5.716 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.161 -4.924 -4.773 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.633 -5.176 -6.424 1.00 0.00 H new ATOM 0 HG SER A 51 -7.225 -6.879 -4.781 1.00 0.00 H new ATOM 804 N GLN A 52 -3.591 -4.522 -3.620 1.00 0.00 N ATOM 805 CA GLN A 52 -2.652 -3.457 -3.286 1.00 0.00 C ATOM 806 C GLN A 52 -1.230 -3.998 -3.183 1.00 0.00 C ATOM 807 O GLN A 52 -0.277 -3.358 -3.631 1.00 0.00 O ATOM 808 CB GLN A 52 -3.053 -2.790 -1.969 1.00 0.00 C ATOM 809 CG GLN A 52 -4.379 -2.050 -2.041 1.00 0.00 C ATOM 810 CD GLN A 52 -4.443 -0.874 -1.086 1.00 0.00 C ATOM 811 OE1 GLN A 52 -4.213 -1.021 0.114 1.00 0.00 O ATOM 812 NE2 GLN A 52 -4.758 0.302 -1.616 1.00 0.00 N ATOM 0 H GLN A 52 -4.328 -4.667 -2.930 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.682 -2.716 -4.085 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.112 -3.550 -1.190 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.271 -2.090 -1.673 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.538 -1.695 -3.059 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.190 -2.742 -1.814 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.941 0.378 -2.617 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.817 1.129 -1.023 1.00 0.00 H new ATOM 821 N LEU A 53 -1.092 -5.179 -2.592 1.00 0.00 N ATOM 822 CA LEU A 53 0.215 -5.806 -2.430 1.00 0.00 C ATOM 823 C LEU A 53 0.899 -5.995 -3.780 1.00 0.00 C ATOM 824 O LEU A 53 1.926 -5.377 -4.058 1.00 0.00 O ATOM 825 CB LEU A 53 0.071 -7.156 -1.725 1.00 0.00 C ATOM 826 CG LEU A 53 -0.301 -7.103 -0.243 1.00 0.00 C ATOM 827 CD1 LEU A 53 -0.737 -8.475 0.248 1.00 0.00 C ATOM 828 CD2 LEU A 53 0.870 -6.588 0.582 1.00 0.00 C ATOM 0 H LEU A 53 -1.869 -5.722 -2.217 1.00 0.00 H new ATOM 0 HA LEU A 53 0.833 -5.148 -1.819 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.688 -7.738 -2.249 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.012 -7.697 -1.824 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.137 -6.414 -0.123 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.998 -8.417 1.305 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.605 -8.807 -0.322 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.079 -9.186 0.114 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.588 -6.557 1.634 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.725 -7.253 0.455 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.137 -5.585 0.248 1.00 0.00 H new ATOM 840 N ALA A 54 0.322 -6.853 -4.615 1.00 0.00 N ATOM 841 CA ALA A 54 0.873 -7.119 -5.938 1.00 0.00 C ATOM 842 C ALA A 54 1.356 -5.834 -6.601 1.00 0.00 C ATOM 843 O ALA A 54 2.497 -5.750 -7.054 1.00 0.00 O ATOM 844 CB ALA A 54 -0.163 -7.810 -6.812 1.00 0.00 C ATOM 0 H ALA A 54 -0.527 -7.376 -4.399 1.00 0.00 H new ATOM 0 HA ALA A 54 1.732 -7.780 -5.820 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.262 -8.003 -7.797 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.456 -8.754 -6.352 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.039 -7.169 -6.914 1.00 0.00 H new ATOM 850 N GLU A 55 0.480 -4.836 -6.654 1.00 0.00 N ATOM 851 CA GLU A 55 0.818 -3.555 -7.264 1.00 0.00 C ATOM 852 C GLU A 55 2.039 -2.937 -6.589 1.00 0.00 C ATOM 853 O GLU A 55 2.943 -2.436 -7.257 1.00 0.00 O ATOM 854 CB GLU A 55 -0.369 -2.594 -7.176 1.00 0.00 C ATOM 855 CG GLU A 55 -0.175 -1.312 -7.969 1.00 0.00 C ATOM 856 CD GLU A 55 -1.487 -0.694 -8.408 1.00 0.00 C ATOM 857 OE1 GLU A 55 -2.002 -1.088 -9.475 1.00 0.00 O ATOM 858 OE2 GLU A 55 -2.000 0.186 -7.684 1.00 0.00 O ATOM 0 H GLU A 55 -0.468 -4.889 -6.282 1.00 0.00 H new ATOM 0 HA GLU A 55 1.055 -3.732 -8.313 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.264 -3.102 -7.536 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.544 -2.341 -6.130 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.376 -0.593 -7.362 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.436 -1.521 -8.847 1.00 0.00 H new ATOM 865 N ALA A 56 2.057 -2.975 -5.261 1.00 0.00 N ATOM 866 CA ALA A 56 3.166 -2.421 -4.495 1.00 0.00 C ATOM 867 C ALA A 56 4.489 -3.057 -4.906 1.00 0.00 C ATOM 868 O ALA A 56 5.441 -2.361 -5.260 1.00 0.00 O ATOM 869 CB ALA A 56 2.926 -2.612 -3.005 1.00 0.00 C ATOM 0 H ALA A 56 1.315 -3.384 -4.693 1.00 0.00 H new ATOM 0 HA ALA A 56 3.225 -1.354 -4.708 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.762 -2.193 -2.445 1.00 0.00 H new ATOM 0 HB2 ALA A 56 2.006 -2.104 -2.717 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.838 -3.676 -2.784 1.00 0.00 H new ATOM 875 N TYR A 57 4.543 -4.384 -4.855 1.00 0.00 N ATOM 876 CA TYR A 57 5.751 -5.114 -5.219 1.00 0.00 C ATOM 877 C TYR A 57 6.171 -4.794 -6.651 1.00 0.00 C ATOM 878 O TYR A 57 7.289 -4.341 -6.894 1.00 0.00 O ATOM 879 CB TYR A 57 5.528 -6.619 -5.066 1.00 0.00 C ATOM 880 CG TYR A 57 6.655 -7.459 -5.625 1.00 0.00 C ATOM 881 CD1 TYR A 57 7.782 -7.741 -4.863 1.00 0.00 C ATOM 882 CD2 TYR A 57 6.592 -7.970 -6.916 1.00 0.00 C ATOM 883 CE1 TYR A 57 8.814 -8.506 -5.370 1.00 0.00 C ATOM 884 CE2 TYR A 57 7.619 -8.738 -7.431 1.00 0.00 C ATOM 885 CZ TYR A 57 8.728 -9.003 -6.654 1.00 0.00 C ATOM 886 OH TYR A 57 9.753 -9.767 -7.163 1.00 0.00 O ATOM 0 H TYR A 57 3.764 -4.975 -4.565 1.00 0.00 H new ATOM 0 HA TYR A 57 6.550 -4.801 -4.547 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.401 -6.853 -4.009 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.599 -6.893 -5.567 1.00 0.00 H new ATOM 0 HD1 TYR A 57 7.852 -7.355 -3.857 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.726 -7.763 -7.527 1.00 0.00 H new ATOM 0 HE1 TYR A 57 9.684 -8.714 -4.764 1.00 0.00 H new ATOM 0 HE2 TYR A 57 7.554 -9.129 -8.436 1.00 0.00 H new ATOM 0 HH TYR A 57 9.535 -10.039 -8.079 1.00 0.00 H new ATOM 896 N GLU A 58 5.265 -5.032 -7.594 1.00 0.00 N ATOM 897 CA GLU A 58 5.541 -4.770 -9.001 1.00 0.00 C ATOM 898 C GLU A 58 6.411 -3.526 -9.162 1.00 0.00 C ATOM 899 O GLU A 58 7.426 -3.551 -9.857 1.00 0.00 O ATOM 900 CB GLU A 58 4.233 -4.595 -9.776 1.00 0.00 C ATOM 901 CG GLU A 58 4.429 -4.460 -11.277 1.00 0.00 C ATOM 902 CD GLU A 58 3.178 -3.981 -11.988 1.00 0.00 C ATOM 903 OE1 GLU A 58 2.648 -2.918 -11.601 1.00 0.00 O ATOM 904 OE2 GLU A 58 2.729 -4.668 -12.929 1.00 0.00 O ATOM 0 H GLU A 58 4.334 -5.406 -7.409 1.00 0.00 H new ATOM 0 HA GLU A 58 6.082 -5.626 -9.405 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.586 -5.449 -9.578 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.716 -3.710 -9.404 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.243 -3.762 -11.472 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.730 -5.423 -11.688 1.00 0.00 H new ATOM 911 N VAL A 59 6.004 -2.439 -8.515 1.00 0.00 N ATOM 912 CA VAL A 59 6.745 -1.185 -8.585 1.00 0.00 C ATOM 913 C VAL A 59 8.104 -1.311 -7.905 1.00 0.00 C ATOM 914 O VAL A 59 9.146 -1.140 -8.540 1.00 0.00 O ATOM 915 CB VAL A 59 5.961 -0.032 -7.930 1.00 0.00 C ATOM 916 CG1 VAL A 59 6.846 1.195 -7.774 1.00 0.00 C ATOM 917 CG2 VAL A 59 4.718 0.296 -8.744 1.00 0.00 C ATOM 0 H VAL A 59 5.165 -2.401 -7.936 1.00 0.00 H new ATOM 0 HA VAL A 59 6.890 -0.962 -9.642 1.00 0.00 H new ATOM 0 HB VAL A 59 5.644 -0.349 -6.937 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.275 1.999 -7.310 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.702 0.949 -7.146 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.196 1.518 -8.754 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.176 1.113 -8.267 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.011 0.594 -9.751 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.076 -0.583 -8.798 1.00 0.00 H new ATOM 927 N LEU A 60 8.086 -1.611 -6.611 1.00 0.00 N ATOM 928 CA LEU A 60 9.318 -1.762 -5.844 1.00 0.00 C ATOM 929 C LEU A 60 10.283 -2.712 -6.545 1.00 0.00 C ATOM 930 O LEU A 60 11.350 -2.303 -7.004 1.00 0.00 O ATOM 931 CB LEU A 60 9.007 -2.277 -4.438 1.00 0.00 C ATOM 932 CG LEU A 60 8.065 -1.412 -3.599 1.00 0.00 C ATOM 933 CD1 LEU A 60 7.694 -2.125 -2.308 1.00 0.00 C ATOM 934 CD2 LEU A 60 8.705 -0.064 -3.301 1.00 0.00 C ATOM 0 H LEU A 60 7.233 -1.754 -6.071 1.00 0.00 H new ATOM 0 HA LEU A 60 9.792 -0.783 -5.769 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.572 -3.273 -4.525 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.947 -2.386 -3.897 1.00 0.00 H new ATOM 0 HG LEU A 60 7.153 -1.241 -4.170 1.00 0.00 H new ATOM 0 HD11 LEU A 60 7.023 -1.495 -1.724 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.196 -3.066 -2.542 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.597 -2.326 -1.731 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.022 0.539 -2.703 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.633 -0.216 -2.749 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.920 0.452 -4.237 1.00 0.00 H new ATOM 946 N SER A 61 9.901 -3.983 -6.625 1.00 0.00 N ATOM 947 CA SER A 61 10.734 -4.992 -7.268 1.00 0.00 C ATOM 948 C SER A 61 11.409 -4.426 -8.514 1.00 0.00 C ATOM 949 O SER A 61 12.493 -4.864 -8.900 1.00 0.00 O ATOM 950 CB SER A 61 9.893 -6.215 -7.641 1.00 0.00 C ATOM 951 OG SER A 61 8.894 -5.878 -8.587 1.00 0.00 O ATOM 0 H SER A 61 9.020 -4.338 -6.253 1.00 0.00 H new ATOM 0 HA SER A 61 11.508 -5.293 -6.562 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.538 -6.993 -8.050 1.00 0.00 H new ATOM 0 HB3 SER A 61 9.427 -6.626 -6.746 1.00 0.00 H new ATOM 0 HG SER A 61 8.214 -5.317 -8.159 1.00 0.00 H new ATOM 957 N ASP A 62 10.759 -3.451 -9.139 1.00 0.00 N ATOM 958 CA ASP A 62 11.295 -2.823 -10.341 1.00 0.00 C ATOM 959 C ASP A 62 12.123 -1.591 -9.988 1.00 0.00 C ATOM 960 O ASP A 62 11.614 -0.640 -9.395 1.00 0.00 O ATOM 961 CB ASP A 62 10.160 -2.435 -11.290 1.00 0.00 C ATOM 962 CG ASP A 62 10.586 -2.464 -12.745 1.00 0.00 C ATOM 963 OD1 ASP A 62 10.751 -3.574 -13.293 1.00 0.00 O ATOM 964 OD2 ASP A 62 10.753 -1.377 -13.335 1.00 0.00 O ATOM 0 H ASP A 62 9.860 -3.078 -8.833 1.00 0.00 H new ATOM 0 HA ASP A 62 11.943 -3.544 -10.839 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.321 -3.116 -11.146 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.805 -1.436 -11.038 1.00 0.00 H new ATOM 969 N GLU A 63 13.400 -1.616 -10.355 1.00 0.00 N ATOM 970 CA GLU A 63 14.297 -0.502 -10.075 1.00 0.00 C ATOM 971 C GLU A 63 13.790 0.782 -10.725 1.00 0.00 C ATOM 972 O GLU A 63 13.880 1.864 -10.144 1.00 0.00 O ATOM 973 CB GLU A 63 15.709 -0.816 -10.574 1.00 0.00 C ATOM 974 CG GLU A 63 15.775 -1.116 -12.062 1.00 0.00 C ATOM 975 CD GLU A 63 17.170 -1.497 -12.519 1.00 0.00 C ATOM 976 OE1 GLU A 63 17.549 -2.675 -12.352 1.00 0.00 O ATOM 977 OE2 GLU A 63 17.883 -0.616 -13.044 1.00 0.00 O ATOM 0 H GLU A 63 13.836 -2.396 -10.847 1.00 0.00 H new ATOM 0 HA GLU A 63 14.326 -0.356 -8.995 1.00 0.00 H new ATOM 0 HB2 GLU A 63 16.360 0.030 -10.353 1.00 0.00 H new ATOM 0 HB3 GLU A 63 16.099 -1.671 -10.022 1.00 0.00 H new ATOM 0 HG2 GLU A 63 15.086 -1.927 -12.296 1.00 0.00 H new ATOM 0 HG3 GLU A 63 15.440 -0.242 -12.620 1.00 0.00 H new ATOM 984 N VAL A 64 13.257 0.654 -11.936 1.00 0.00 N ATOM 985 CA VAL A 64 12.735 1.803 -12.667 1.00 0.00 C ATOM 986 C VAL A 64 11.555 2.430 -11.934 1.00 0.00 C ATOM 987 O VAL A 64 11.566 3.621 -11.620 1.00 0.00 O ATOM 988 CB VAL A 64 12.292 1.410 -14.089 1.00 0.00 C ATOM 989 CG1 VAL A 64 11.762 2.623 -14.838 1.00 0.00 C ATOM 990 CG2 VAL A 64 13.443 0.766 -14.846 1.00 0.00 C ATOM 0 H VAL A 64 13.175 -0.234 -12.432 1.00 0.00 H new ATOM 0 HA VAL A 64 13.545 2.530 -12.735 1.00 0.00 H new ATOM 0 HB VAL A 64 11.485 0.681 -14.011 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.454 2.326 -15.840 1.00 0.00 H new ATOM 0 HG12 VAL A 64 10.907 3.036 -14.303 1.00 0.00 H new ATOM 0 HG13 VAL A 64 12.545 3.378 -14.908 1.00 0.00 H new ATOM 0 HG21 VAL A 64 13.112 0.495 -15.849 1.00 0.00 H new ATOM 0 HG22 VAL A 64 14.272 1.470 -14.915 1.00 0.00 H new ATOM 0 HG23 VAL A 64 13.771 -0.129 -14.317 1.00 0.00 H new ATOM 1000 N LYS A 65 10.536 1.621 -11.662 1.00 0.00 N ATOM 1001 CA LYS A 65 9.347 2.095 -10.964 1.00 0.00 C ATOM 1002 C LYS A 65 9.698 2.585 -9.563 1.00 0.00 C ATOM 1003 O LYS A 65 9.198 3.616 -9.112 1.00 0.00 O ATOM 1004 CB LYS A 65 8.303 0.980 -10.879 1.00 0.00 C ATOM 1005 CG LYS A 65 7.967 0.357 -12.223 1.00 0.00 C ATOM 1006 CD LYS A 65 6.710 -0.493 -12.145 1.00 0.00 C ATOM 1007 CE LYS A 65 6.053 -0.643 -13.509 1.00 0.00 C ATOM 1008 NZ LYS A 65 4.810 -1.460 -13.439 1.00 0.00 N ATOM 0 H LYS A 65 10.510 0.633 -11.915 1.00 0.00 H new ATOM 0 HA LYS A 65 8.933 2.930 -11.529 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.668 0.202 -10.209 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.391 1.380 -10.436 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.830 1.143 -12.965 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.802 -0.257 -12.559 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.959 -1.478 -11.750 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.005 -0.039 -11.448 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.817 0.343 -13.909 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.755 -1.108 -14.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.347 -1.468 -14.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.050 -2.434 -13.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.164 -1.049 -12.735 1.00 0.00 H new ATOM 1022 N ARG A 66 10.562 1.841 -8.880 1.00 0.00 N ATOM 1023 CA ARG A 66 10.980 2.200 -7.530 1.00 0.00 C ATOM 1024 C ARG A 66 11.663 3.565 -7.518 1.00 0.00 C ATOM 1025 O ARG A 66 11.355 4.418 -6.685 1.00 0.00 O ATOM 1026 CB ARG A 66 11.927 1.139 -6.967 1.00 0.00 C ATOM 1027 CG ARG A 66 12.020 1.150 -5.450 1.00 0.00 C ATOM 1028 CD ARG A 66 13.321 0.528 -4.967 1.00 0.00 C ATOM 1029 NE ARG A 66 13.580 0.823 -3.561 1.00 0.00 N ATOM 1030 CZ ARG A 66 14.765 0.663 -2.982 1.00 0.00 C ATOM 1031 NH1 ARG A 66 15.795 0.213 -3.686 1.00 0.00 N ATOM 1032 NH2 ARG A 66 14.923 0.954 -1.697 1.00 0.00 N ATOM 0 H ARG A 66 10.986 0.986 -9.239 1.00 0.00 H new ATOM 0 HA ARG A 66 10.090 2.252 -6.903 1.00 0.00 H new ATOM 0 HB2 ARG A 66 11.593 0.155 -7.295 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.922 1.293 -7.385 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.949 2.176 -5.087 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.176 0.604 -5.029 1.00 0.00 H new ATOM 0 HD2 ARG A 66 13.281 -0.552 -5.109 1.00 0.00 H new ATOM 0 HD3 ARG A 66 14.147 0.899 -5.573 1.00 0.00 H new ATOM 0 HE ARG A 66 12.809 1.171 -2.992 1.00 0.00 H new ATOM 0 HH11 ARG A 66 15.678 -0.011 -4.674 1.00 0.00 H new ATOM 0 HH12 ARG A 66 16.704 0.091 -3.239 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.134 1.301 -1.152 1.00 0.00 H new ATOM 0 HH22 ARG A 66 15.834 0.830 -1.254 1.00 0.00 H new ATOM 1046 N LYS A 67 12.592 3.764 -8.446 1.00 0.00 N ATOM 1047 CA LYS A 67 13.319 5.024 -8.544 1.00 0.00 C ATOM 1048 C LYS A 67 12.358 6.193 -8.734 1.00 0.00 C ATOM 1049 O LYS A 67 12.407 7.175 -7.993 1.00 0.00 O ATOM 1050 CB LYS A 67 14.314 4.974 -9.706 1.00 0.00 C ATOM 1051 CG LYS A 67 15.307 6.123 -9.706 1.00 0.00 C ATOM 1052 CD LYS A 67 16.539 5.794 -10.532 1.00 0.00 C ATOM 1053 CE LYS A 67 17.522 6.955 -10.554 1.00 0.00 C ATOM 1054 NZ LYS A 67 18.256 7.085 -9.266 1.00 0.00 N ATOM 0 H LYS A 67 12.860 3.068 -9.142 1.00 0.00 H new ATOM 0 HA LYS A 67 13.865 5.173 -7.612 1.00 0.00 H new ATOM 0 HB2 LYS A 67 14.861 4.032 -9.665 1.00 0.00 H new ATOM 0 HB3 LYS A 67 13.763 4.981 -10.646 1.00 0.00 H new ATOM 0 HG2 LYS A 67 14.829 7.018 -10.104 1.00 0.00 H new ATOM 0 HG3 LYS A 67 15.604 6.349 -8.682 1.00 0.00 H new ATOM 0 HD2 LYS A 67 17.028 4.910 -10.122 1.00 0.00 H new ATOM 0 HD3 LYS A 67 16.240 5.549 -11.551 1.00 0.00 H new ATOM 0 HE2 LYS A 67 18.235 6.811 -11.366 1.00 0.00 H new ATOM 0 HE3 LYS A 67 16.986 7.881 -10.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 18.916 7.887 -9.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 17.578 7.248 -8.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 18.789 6.211 -9.080 1.00 0.00 H new ATOM 1068 N GLN A 68 11.485 6.080 -9.730 1.00 0.00 N ATOM 1069 CA GLN A 68 10.512 7.128 -10.015 1.00 0.00 C ATOM 1070 C GLN A 68 9.565 7.328 -8.837 1.00 0.00 C ATOM 1071 O GLN A 68 9.250 8.458 -8.464 1.00 0.00 O ATOM 1072 CB GLN A 68 9.714 6.784 -11.274 1.00 0.00 C ATOM 1073 CG GLN A 68 10.515 6.918 -12.558 1.00 0.00 C ATOM 1074 CD GLN A 68 10.598 8.351 -13.047 1.00 0.00 C ATOM 1075 OE1 GLN A 68 9.594 9.062 -13.092 1.00 0.00 O ATOM 1076 NE2 GLN A 68 11.798 8.782 -13.417 1.00 0.00 N ATOM 0 H GLN A 68 11.432 5.274 -10.353 1.00 0.00 H new ATOM 0 HA GLN A 68 11.056 8.058 -10.181 1.00 0.00 H new ATOM 0 HB2 GLN A 68 9.344 5.762 -11.192 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.842 7.435 -11.330 1.00 0.00 H new ATOM 0 HG2 GLN A 68 11.522 6.535 -12.395 1.00 0.00 H new ATOM 0 HG3 GLN A 68 10.060 6.300 -13.332 1.00 0.00 H new ATOM 0 HE21 GLN A 68 12.603 8.158 -13.363 1.00 0.00 H new ATOM 0 HE22 GLN A 68 11.915 9.737 -13.755 1.00 0.00 H new ATOM 1085 N TYR A 69 9.113 6.223 -8.254 1.00 0.00 N ATOM 1086 CA TYR A 69 8.199 6.276 -7.119 1.00 0.00 C ATOM 1087 C TYR A 69 8.889 6.863 -5.891 1.00 0.00 C ATOM 1088 O TYR A 69 8.258 7.530 -5.071 1.00 0.00 O ATOM 1089 CB TYR A 69 7.668 4.878 -6.799 1.00 0.00 C ATOM 1090 CG TYR A 69 7.243 4.707 -5.358 1.00 0.00 C ATOM 1091 CD1 TYR A 69 6.253 5.509 -4.805 1.00 0.00 C ATOM 1092 CD2 TYR A 69 7.830 3.741 -4.551 1.00 0.00 C ATOM 1093 CE1 TYR A 69 5.863 5.357 -3.489 1.00 0.00 C ATOM 1094 CE2 TYR A 69 7.445 3.580 -3.234 1.00 0.00 C ATOM 1095 CZ TYR A 69 6.461 4.390 -2.707 1.00 0.00 C ATOM 1096 OH TYR A 69 6.074 4.234 -1.396 1.00 0.00 O ATOM 0 H TYR A 69 9.365 5.280 -8.549 1.00 0.00 H new ATOM 0 HA TYR A 69 7.363 6.922 -7.388 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.818 4.664 -7.447 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.439 4.144 -7.031 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.780 6.265 -5.415 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.601 3.105 -4.960 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.094 5.992 -3.074 1.00 0.00 H new ATOM 0 HE2 TYR A 69 7.912 2.824 -2.620 1.00 0.00 H new ATOM 0 HH TYR A 69 6.864 4.077 -0.838 1.00 0.00 H new ATOM 1106 N ASP A 70 10.188 6.611 -5.773 1.00 0.00 N ATOM 1107 CA ASP A 70 10.965 7.115 -4.647 1.00 0.00 C ATOM 1108 C ASP A 70 10.878 8.635 -4.564 1.00 0.00 C ATOM 1109 O ASP A 70 10.837 9.206 -3.474 1.00 0.00 O ATOM 1110 CB ASP A 70 12.427 6.682 -4.775 1.00 0.00 C ATOM 1111 CG ASP A 70 13.170 6.758 -3.456 1.00 0.00 C ATOM 1112 OD1 ASP A 70 13.041 7.787 -2.760 1.00 0.00 O ATOM 1113 OD2 ASP A 70 13.882 5.788 -3.120 1.00 0.00 O ATOM 0 H ASP A 70 10.725 6.061 -6.443 1.00 0.00 H new ATOM 0 HA ASP A 70 10.548 6.695 -3.732 1.00 0.00 H new ATOM 0 HB2 ASP A 70 12.469 5.661 -5.154 1.00 0.00 H new ATOM 0 HB3 ASP A 70 12.928 7.315 -5.508 1.00 0.00 H new ATOM 1118 N ALA A 71 10.850 9.286 -5.722 1.00 0.00 N ATOM 1119 CA ALA A 71 10.766 10.740 -5.780 1.00 0.00 C ATOM 1120 C ALA A 71 9.319 11.202 -5.913 1.00 0.00 C ATOM 1121 O ALA A 71 8.905 12.169 -5.274 1.00 0.00 O ATOM 1122 CB ALA A 71 11.600 11.271 -6.937 1.00 0.00 C ATOM 0 H ALA A 71 10.884 8.829 -6.633 1.00 0.00 H new ATOM 0 HA ALA A 71 11.163 11.139 -4.847 1.00 0.00 H new ATOM 0 HB1 ALA A 71 11.528 12.358 -6.968 1.00 0.00 H new ATOM 0 HB2 ALA A 71 12.641 10.980 -6.799 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.229 10.856 -7.874 1.00 0.00 H new ATOM 1128 N TYR A 72 8.555 10.505 -6.747 1.00 0.00 N ATOM 1129 CA TYR A 72 7.154 10.846 -6.965 1.00 0.00 C ATOM 1130 C TYR A 72 6.258 10.152 -5.943 1.00 0.00 C ATOM 1131 O TYR A 72 5.058 9.994 -6.159 1.00 0.00 O ATOM 1132 CB TYR A 72 6.728 10.455 -8.382 1.00 0.00 C ATOM 1133 CG TYR A 72 7.278 11.369 -9.453 1.00 0.00 C ATOM 1134 CD1 TYR A 72 6.817 12.673 -9.586 1.00 0.00 C ATOM 1135 CD2 TYR A 72 8.260 10.929 -10.332 1.00 0.00 C ATOM 1136 CE1 TYR A 72 7.317 13.511 -10.564 1.00 0.00 C ATOM 1137 CE2 TYR A 72 8.766 11.760 -11.312 1.00 0.00 C ATOM 1138 CZ TYR A 72 8.291 13.050 -11.424 1.00 0.00 C ATOM 1139 OH TYR A 72 8.792 13.883 -12.399 1.00 0.00 O ATOM 0 H TYR A 72 8.882 9.701 -7.283 1.00 0.00 H new ATOM 0 HA TYR A 72 7.045 11.924 -6.843 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.056 9.435 -8.583 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.639 10.456 -8.439 1.00 0.00 H new ATOM 0 HD1 TYR A 72 6.055 13.038 -8.913 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.634 9.919 -10.247 1.00 0.00 H new ATOM 0 HE1 TYR A 72 6.947 14.522 -10.654 1.00 0.00 H new ATOM 0 HE2 TYR A 72 9.529 11.402 -11.987 1.00 0.00 H new ATOM 0 HH TYR A 72 9.471 13.406 -12.920 1.00 0.00 H new ATOM 1149 N GLY A 73 6.853 9.740 -4.828 1.00 0.00 N ATOM 1150 CA GLY A 73 6.096 9.069 -3.788 1.00 0.00 C ATOM 1151 C GLY A 73 5.690 10.007 -2.669 1.00 0.00 C ATOM 1152 O GLY A 73 6.014 9.773 -1.505 1.00 0.00 O ATOM 0 H GLY A 73 7.846 9.859 -4.626 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.203 8.621 -4.224 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.693 8.255 -3.377 1.00 0.00 H new ATOM 1156 N SER A 74 4.979 11.073 -3.022 1.00 0.00 N ATOM 1157 CA SER A 74 4.532 12.054 -2.039 1.00 0.00 C ATOM 1158 C SER A 74 3.010 12.063 -1.933 1.00 0.00 C ATOM 1159 O SER A 74 2.307 11.829 -2.915 1.00 0.00 O ATOM 1160 CB SER A 74 5.037 13.449 -2.413 1.00 0.00 C ATOM 1161 OG SER A 74 6.304 13.706 -1.832 1.00 0.00 O ATOM 0 H SER A 74 4.700 11.280 -3.981 1.00 0.00 H new ATOM 0 HA SER A 74 4.944 11.774 -1.070 1.00 0.00 H new ATOM 0 HB2 SER A 74 5.107 13.535 -3.497 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.321 14.200 -2.079 1.00 0.00 H new ATOM 0 HG SER A 74 6.605 14.603 -2.088 1.00 0.00 H new ATOM 1167 N GLY A 75 2.508 12.335 -0.732 1.00 0.00 N ATOM 1168 CA GLY A 75 1.073 12.370 -0.519 1.00 0.00 C ATOM 1169 C GLY A 75 0.551 13.778 -0.320 1.00 0.00 C ATOM 1170 O GLY A 75 0.370 14.243 0.806 1.00 0.00 O ATOM 0 H GLY A 75 3.069 12.532 0.097 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.571 11.917 -1.374 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.824 11.767 0.354 1.00 0.00 H new ATOM 1174 N PRO A 76 0.300 14.484 -1.433 1.00 0.00 N ATOM 1175 CA PRO A 76 -0.207 15.859 -1.401 1.00 0.00 C ATOM 1176 C PRO A 76 -1.650 15.933 -0.912 1.00 0.00 C ATOM 1177 O PRO A 76 -2.163 17.015 -0.625 1.00 0.00 O ATOM 1178 CB PRO A 76 -0.115 16.304 -2.863 1.00 0.00 C ATOM 1179 CG PRO A 76 -0.182 15.041 -3.649 1.00 0.00 C ATOM 1180 CD PRO A 76 0.493 13.993 -2.808 1.00 0.00 C ATOM 0 HA PRO A 76 0.359 16.487 -0.713 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -0.932 16.976 -3.124 1.00 0.00 H new ATOM 0 HB3 PRO A 76 0.814 16.841 -3.055 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -1.216 14.766 -3.859 1.00 0.00 H new ATOM 0 HG3 PRO A 76 0.320 15.153 -4.610 1.00 0.00 H new ATOM 0 HD2 PRO A 76 0.042 13.011 -2.951 1.00 0.00 H new ATOM 0 HD3 PRO A 76 1.550 13.898 -3.056 1.00 0.00 H new ATOM 1188 N SER A 77 -2.299 14.777 -0.819 1.00 0.00 N ATOM 1189 CA SER A 77 -3.683 14.712 -0.367 1.00 0.00 C ATOM 1190 C SER A 77 -3.856 15.439 0.963 1.00 0.00 C ATOM 1191 O SER A 77 -3.409 14.962 2.006 1.00 0.00 O ATOM 1192 CB SER A 77 -4.129 13.255 -0.227 1.00 0.00 C ATOM 1193 OG SER A 77 -4.446 12.695 -1.489 1.00 0.00 O ATOM 0 H SER A 77 -1.888 13.873 -1.051 1.00 0.00 H new ATOM 0 HA SER A 77 -4.306 15.205 -1.114 1.00 0.00 H new ATOM 0 HB2 SER A 77 -3.337 12.673 0.244 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.999 13.199 0.428 1.00 0.00 H new ATOM 0 HG SER A 77 -4.726 11.763 -1.372 1.00 0.00 H new ATOM 1199 N SER A 78 -4.506 16.597 0.917 1.00 0.00 N ATOM 1200 CA SER A 78 -4.735 17.393 2.118 1.00 0.00 C ATOM 1201 C SER A 78 -4.957 16.495 3.331 1.00 0.00 C ATOM 1202 O SER A 78 -5.580 15.439 3.230 1.00 0.00 O ATOM 1203 CB SER A 78 -5.941 18.314 1.922 1.00 0.00 C ATOM 1204 OG SER A 78 -7.142 17.568 1.831 1.00 0.00 O ATOM 0 H SER A 78 -4.883 17.005 0.062 1.00 0.00 H new ATOM 0 HA SER A 78 -3.848 18.001 2.296 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.007 19.015 2.754 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.807 18.906 1.017 1.00 0.00 H new ATOM 0 HG SER A 78 -7.898 18.179 1.708 1.00 0.00 H new ATOM 1210 N GLY A 79 -4.442 16.925 4.479 1.00 0.00 N ATOM 1211 CA GLY A 79 -4.594 16.149 5.696 1.00 0.00 C ATOM 1212 C GLY A 79 -4.393 16.984 6.945 1.00 0.00 C ATOM 1213 O GLY A 79 -5.360 17.402 7.582 1.00 0.00 O ATOM 0 H GLY A 79 -3.923 17.796 4.588 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.588 15.703 5.717 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -3.877 15.328 5.692 1.00 0.00 H new TER 1217 GLY A 79