USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 804 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 LYS NZ :NH3+ -173:sc= 1.22 (180deg=0) USER MOD Set 1.2: A 96 TYR OH : rot 29:sc= 2.19 USER MOD Set 2.1: A 57 TYR OH : rot 180:sc= 0.118 USER MOD Set 2.2: A 71 LYS NZ :NH3+ -128:sc= 1.92 (180deg=0.907) USER MOD Set 3.1: A 19 ASN : amide:sc= 1.38 K(o=-2.1,f=-6.1!) USER MOD Set 3.2: A 49 THR OG1 : rot 65:sc= -3.52! USER MOD Set 4.1: A 48 LYS NZ :NH3+ 162:sc= 1.28 (180deg=-0.00257) USER MOD Set 4.2: A 50 SER OG : rot -24:sc= 1.88 USER MOD Set 5.1: A 30 GLN : amide:sc= -0.695 K(o=-0.69,f=-5.3!) USER MOD Set 5.2: A 41 THR OG1 : rot 110:sc= 0.00665 USER MOD Single : A 0 SER OG : rot 44:sc= 0.0737 USER MOD Single : A 9 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.101) USER MOD Single : A -1 GLY N :NH3+ -144:sc= 0.659 (180deg=-1.16!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -166:sc= 1.28 (180deg=1.03) USER MOD Single : A 23 LYS NZ :NH3+ -122:sc= 1.26 (180deg=-0.212) USER MOD Single : A 28 LYS NZ :NH3+ 178:sc= 1.21 (180deg=1.15) USER MOD Single : A 34 LYS NZ :NH3+ -120:sc= 1.25 (180deg=0.515) USER MOD Single : A 36 LYS NZ :NH3+ 164:sc= -0.047 (180deg=-0.308) USER MOD Single : A 37 TYR OH : rot 50:sc= -0.982 USER MOD Single : A 42 LYS NZ :NH3+ 169:sc=-0.00958 (180deg=-0.14) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -178:sc= 0.428 (180deg=0.355) USER MOD Single : A 56 TYR OH : rot 30:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -128:sc= -0.97 (180deg=-3.05!) USER MOD Single : A 74 LYS NZ :NH3+ 169:sc= 2.37 (180deg=2.31) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -160:sc= -0.135 (180deg=-0.619) USER MOD Single : A 85 LYS NZ :NH3+ -167:sc=-0.00955 (180deg=-0.2) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 6.434 9.329 4.156 1.00 0.00 N ATOM 2 CA GLY A -1 7.660 8.530 4.369 1.00 0.00 C ATOM 3 C GLY A -1 7.378 7.044 4.378 1.00 0.00 C ATOM 4 O GLY A -1 6.990 6.484 5.404 1.00 0.00 O ATOM 0 H1 GLY A -1 6.660 10.164 3.578 1.00 0.00 H new ATOM 0 H2 GLY A -1 5.723 8.750 3.665 1.00 0.00 H new ATOM 0 H3 GLY A -1 6.056 9.636 5.075 1.00 0.00 H new ATOM 0 HA2 GLY A -1 8.381 8.757 3.583 1.00 0.00 H new ATOM 0 HA3 GLY A -1 8.119 8.817 5.315 1.00 0.00 H new ATOM 10 N SER A 0 7.554 6.405 3.230 1.00 0.00 N ATOM 11 CA SER A 0 7.412 4.959 3.126 1.00 0.00 C ATOM 12 C SER A 0 8.651 4.277 3.718 1.00 0.00 C ATOM 13 O SER A 0 9.435 3.646 3.012 1.00 0.00 O ATOM 14 CB SER A 0 7.203 4.565 1.661 1.00 0.00 C ATOM 15 OG SER A 0 6.073 5.236 1.115 1.00 0.00 O ATOM 0 H SER A 0 7.796 6.867 2.354 1.00 0.00 H new ATOM 0 HA SER A 0 6.540 4.630 3.692 1.00 0.00 H new ATOM 0 HB2 SER A 0 8.093 4.812 1.082 1.00 0.00 H new ATOM 0 HB3 SER A 0 7.063 3.487 1.586 1.00 0.00 H new ATOM 0 HG SER A 0 6.087 6.176 1.390 1.00 0.00 H new ATOM 21 N LEU A 1 8.809 4.425 5.028 1.00 0.00 N ATOM 22 CA LEU A 1 10.029 4.031 5.713 1.00 0.00 C ATOM 23 C LEU A 1 10.006 2.573 6.169 1.00 0.00 C ATOM 24 O LEU A 1 8.989 2.053 6.629 1.00 0.00 O ATOM 25 CB LEU A 1 10.281 4.974 6.900 1.00 0.00 C ATOM 26 CG LEU A 1 9.102 5.163 7.874 1.00 0.00 C ATOM 27 CD1 LEU A 1 9.071 4.065 8.929 1.00 0.00 C ATOM 28 CD2 LEU A 1 9.194 6.520 8.552 1.00 0.00 C ATOM 0 H LEU A 1 8.096 4.820 5.641 1.00 0.00 H new ATOM 0 HA LEU A 1 10.850 4.114 5.000 1.00 0.00 H new ATOM 0 HB2 LEU A 1 11.135 4.597 7.463 1.00 0.00 H new ATOM 0 HB3 LEU A 1 10.563 5.951 6.509 1.00 0.00 H new ATOM 0 HG LEU A 1 8.181 5.107 7.294 1.00 0.00 H new ATOM 0 HD11 LEU A 1 8.227 4.228 9.600 1.00 0.00 H new ATOM 0 HD12 LEU A 1 8.965 3.096 8.442 1.00 0.00 H new ATOM 0 HD13 LEU A 1 9.998 4.084 9.501 1.00 0.00 H new ATOM 0 HD21 LEU A 1 8.355 6.642 9.238 1.00 0.00 H new ATOM 0 HD22 LEU A 1 10.130 6.587 9.107 1.00 0.00 H new ATOM 0 HD23 LEU A 1 9.163 7.306 7.798 1.00 0.00 H new ATOM 40 N ILE A 2 11.147 1.929 6.021 1.00 0.00 N ATOM 41 CA ILE A 2 11.355 0.562 6.475 1.00 0.00 C ATOM 42 C ILE A 2 12.862 0.290 6.441 1.00 0.00 C ATOM 43 O ILE A 2 13.344 -0.745 5.982 1.00 0.00 O ATOM 44 CB ILE A 2 10.548 -0.454 5.612 1.00 0.00 C ATOM 45 CG1 ILE A 2 10.709 -1.887 6.132 1.00 0.00 C ATOM 46 CG2 ILE A 2 10.931 -0.364 4.144 1.00 0.00 C ATOM 47 CD1 ILE A 2 10.176 -2.091 7.534 1.00 0.00 C ATOM 0 H ILE A 2 11.967 2.342 5.577 1.00 0.00 H new ATOM 0 HA ILE A 2 10.985 0.436 7.492 1.00 0.00 H new ATOM 0 HB ILE A 2 9.495 -0.185 5.700 1.00 0.00 H new ATOM 0 HG12 ILE A 2 10.195 -2.569 5.455 1.00 0.00 H new ATOM 0 HG13 ILE A 2 11.766 -2.154 6.112 1.00 0.00 H new ATOM 0 HG21 ILE A 2 10.349 -1.086 3.571 1.00 0.00 H new ATOM 0 HG22 ILE A 2 10.726 0.641 3.775 1.00 0.00 H new ATOM 0 HG23 ILE A 2 11.993 -0.582 4.031 1.00 0.00 H new ATOM 0 HD11 ILE A 2 10.325 -3.129 7.833 1.00 0.00 H new ATOM 0 HD12 ILE A 2 10.707 -1.435 8.224 1.00 0.00 H new ATOM 0 HD13 ILE A 2 9.112 -1.856 7.556 1.00 0.00 H new ATOM 59 N LEU A 3 13.593 1.269 6.957 1.00 0.00 N ATOM 60 CA LEU A 3 15.045 1.304 6.862 1.00 0.00 C ATOM 61 C LEU A 3 15.743 0.461 7.914 1.00 0.00 C ATOM 62 O LEU A 3 15.119 -0.224 8.725 1.00 0.00 O ATOM 63 CB LEU A 3 15.539 2.740 6.984 1.00 0.00 C ATOM 64 CG LEU A 3 15.605 3.510 5.674 1.00 0.00 C ATOM 65 CD1 LEU A 3 16.011 4.952 5.932 1.00 0.00 C ATOM 66 CD2 LEU A 3 16.574 2.830 4.712 1.00 0.00 C ATOM 0 H LEU A 3 13.193 2.064 7.455 1.00 0.00 H new ATOM 0 HA LEU A 3 15.293 0.882 5.888 1.00 0.00 H new ATOM 0 HB2 LEU A 3 14.884 3.276 7.671 1.00 0.00 H new ATOM 0 HB3 LEU A 3 16.532 2.730 7.433 1.00 0.00 H new ATOM 0 HG LEU A 3 14.617 3.514 5.214 1.00 0.00 H new ATOM 0 HD11 LEU A 3 16.055 5.492 4.986 1.00 0.00 H new ATOM 0 HD12 LEU A 3 15.279 5.425 6.587 1.00 0.00 H new ATOM 0 HD13 LEU A 3 16.991 4.974 6.408 1.00 0.00 H new ATOM 0 HD21 LEU A 3 16.613 3.390 3.778 1.00 0.00 H new ATOM 0 HD22 LEU A 3 17.568 2.799 5.158 1.00 0.00 H new ATOM 0 HD23 LEU A 3 16.235 1.814 4.512 1.00 0.00 H new ATOM 78 N ASP A 4 17.058 0.600 7.884 1.00 0.00 N ATOM 79 CA ASP A 4 18.009 -0.158 8.682 1.00 0.00 C ATOM 80 C ASP A 4 19.371 0.107 8.075 1.00 0.00 C ATOM 81 O ASP A 4 20.395 0.169 8.757 1.00 0.00 O ATOM 82 CB ASP A 4 17.718 -1.664 8.656 1.00 0.00 C ATOM 83 CG ASP A 4 18.765 -2.459 9.411 1.00 0.00 C ATOM 84 OD1 ASP A 4 19.675 -3.017 8.765 1.00 0.00 O ATOM 85 OD2 ASP A 4 18.699 -2.510 10.658 1.00 0.00 O ATOM 0 H ASP A 4 17.514 1.277 7.273 1.00 0.00 H new ATOM 0 HA ASP A 4 17.949 0.150 9.726 1.00 0.00 H new ATOM 0 HB2 ASP A 4 16.737 -1.851 9.092 1.00 0.00 H new ATOM 0 HB3 ASP A 4 17.678 -2.008 7.622 1.00 0.00 H new ATOM 90 N GLY A 5 19.339 0.305 6.761 1.00 0.00 N ATOM 91 CA GLY A 5 20.520 0.642 6.006 1.00 0.00 C ATOM 92 C GLY A 5 20.501 -0.003 4.637 1.00 0.00 C ATOM 93 O GLY A 5 21.102 -1.060 4.454 1.00 0.00 O ATOM 0 H GLY A 5 18.491 0.234 6.199 1.00 0.00 H new ATOM 0 HA2 GLY A 5 20.589 1.725 5.899 1.00 0.00 H new ATOM 0 HA3 GLY A 5 21.407 0.318 6.551 1.00 0.00 H new ATOM 97 N ASP A 6 19.768 0.607 3.686 1.00 0.00 N ATOM 98 CA ASP A 6 19.681 0.089 2.315 1.00 0.00 C ATOM 99 C ASP A 6 18.804 -1.161 2.291 1.00 0.00 C ATOM 100 O ASP A 6 18.755 -1.887 1.299 1.00 0.00 O ATOM 101 CB ASP A 6 21.081 -0.204 1.741 1.00 0.00 C ATOM 102 CG ASP A 6 21.074 -0.508 0.254 1.00 0.00 C ATOM 103 OD1 ASP A 6 20.904 0.436 -0.549 1.00 0.00 O ATOM 104 OD2 ASP A 6 21.266 -1.685 -0.122 1.00 0.00 O ATOM 0 H ASP A 6 19.229 1.458 3.846 1.00 0.00 H new ATOM 0 HA ASP A 6 19.225 0.850 1.682 1.00 0.00 H new ATOM 0 HB2 ASP A 6 21.727 0.654 1.925 1.00 0.00 H new ATOM 0 HB3 ASP A 6 21.514 -1.050 2.275 1.00 0.00 H new ATOM 109 N LEU A 7 18.121 -1.396 3.419 1.00 0.00 N ATOM 110 CA LEU A 7 17.128 -2.450 3.561 1.00 0.00 C ATOM 111 C LEU A 7 17.799 -3.769 3.868 1.00 0.00 C ATOM 112 O LEU A 7 19.024 -3.886 3.838 1.00 0.00 O ATOM 113 CB LEU A 7 16.234 -2.584 2.327 1.00 0.00 C ATOM 114 CG LEU A 7 15.435 -1.336 1.953 1.00 0.00 C ATOM 115 CD1 LEU A 7 14.452 -1.671 0.852 1.00 0.00 C ATOM 116 CD2 LEU A 7 14.707 -0.768 3.162 1.00 0.00 C ATOM 0 H LEU A 7 18.251 -0.846 4.268 1.00 0.00 H new ATOM 0 HA LEU A 7 16.484 -2.170 4.394 1.00 0.00 H new ATOM 0 HB2 LEU A 7 16.857 -2.863 1.477 1.00 0.00 H new ATOM 0 HB3 LEU A 7 15.536 -3.404 2.493 1.00 0.00 H new ATOM 0 HG LEU A 7 16.128 -0.575 1.596 1.00 0.00 H new ATOM 0 HD11 LEU A 7 13.884 -0.779 0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 7 14.994 -2.029 -0.023 1.00 0.00 H new ATOM 0 HD13 LEU A 7 13.769 -2.447 1.198 1.00 0.00 H new ATOM 0 HD21 LEU A 7 14.147 0.119 2.866 1.00 0.00 H new ATOM 0 HD22 LEU A 7 14.020 -1.516 3.557 1.00 0.00 H new ATOM 0 HD23 LEU A 7 15.432 -0.500 3.930 1.00 0.00 H new ATOM 128 N LEU A 8 16.993 -4.763 4.159 1.00 0.00 N ATOM 129 CA LEU A 8 17.503 -6.038 4.590 1.00 0.00 C ATOM 130 C LEU A 8 16.558 -7.137 4.124 1.00 0.00 C ATOM 131 O LEU A 8 15.376 -7.141 4.468 1.00 0.00 O ATOM 132 CB LEU A 8 17.652 -6.006 6.113 1.00 0.00 C ATOM 133 CG LEU A 8 18.635 -7.015 6.726 1.00 0.00 C ATOM 134 CD1 LEU A 8 18.876 -6.682 8.189 1.00 0.00 C ATOM 135 CD2 LEU A 8 18.120 -8.442 6.594 1.00 0.00 C ATOM 0 H LEU A 8 15.976 -4.710 4.104 1.00 0.00 H new ATOM 0 HA LEU A 8 18.481 -6.244 4.156 1.00 0.00 H new ATOM 0 HB2 LEU A 8 17.966 -5.004 6.404 1.00 0.00 H new ATOM 0 HB3 LEU A 8 16.670 -6.174 6.556 1.00 0.00 H new ATOM 0 HG LEU A 8 19.575 -6.945 6.179 1.00 0.00 H new ATOM 0 HD11 LEU A 8 19.574 -7.402 8.616 1.00 0.00 H new ATOM 0 HD12 LEU A 8 19.295 -5.679 8.270 1.00 0.00 H new ATOM 0 HD13 LEU A 8 17.932 -6.726 8.732 1.00 0.00 H new ATOM 0 HD21 LEU A 8 18.839 -9.131 7.038 1.00 0.00 H new ATOM 0 HD22 LEU A 8 17.164 -8.533 7.110 1.00 0.00 H new ATOM 0 HD23 LEU A 8 17.988 -8.685 5.540 1.00 0.00 H new ATOM 147 N LYS A 9 17.079 -8.044 3.316 1.00 0.00 N ATOM 148 CA LYS A 9 16.270 -9.099 2.730 1.00 0.00 C ATOM 149 C LYS A 9 16.061 -10.220 3.736 1.00 0.00 C ATOM 150 O LYS A 9 16.916 -11.093 3.899 1.00 0.00 O ATOM 151 CB LYS A 9 16.943 -9.636 1.465 1.00 0.00 C ATOM 152 CG LYS A 9 17.405 -8.539 0.518 1.00 0.00 C ATOM 153 CD LYS A 9 16.240 -7.734 -0.031 1.00 0.00 C ATOM 154 CE LYS A 9 16.709 -6.417 -0.633 1.00 0.00 C ATOM 155 NZ LYS A 9 17.771 -6.608 -1.656 1.00 0.00 N ATOM 0 H LYS A 9 18.063 -8.071 3.050 1.00 0.00 H new ATOM 0 HA LYS A 9 15.297 -8.689 2.460 1.00 0.00 H new ATOM 0 HB2 LYS A 9 17.800 -10.246 1.749 1.00 0.00 H new ATOM 0 HB3 LYS A 9 16.246 -10.290 0.940 1.00 0.00 H new ATOM 0 HG2 LYS A 9 18.091 -7.873 1.042 1.00 0.00 H new ATOM 0 HG3 LYS A 9 17.960 -8.983 -0.308 1.00 0.00 H new ATOM 0 HD2 LYS A 9 15.718 -8.317 -0.790 1.00 0.00 H new ATOM 0 HD3 LYS A 9 15.524 -7.537 0.767 1.00 0.00 H new ATOM 0 HE2 LYS A 9 15.860 -5.905 -1.086 1.00 0.00 H new ATOM 0 HE3 LYS A 9 17.085 -5.771 0.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 17.973 -5.700 -2.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 18.635 -6.963 -1.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 17.449 -7.296 -2.367 1.00 0.00 H new ATOM 169 N ASP A 10 14.940 -10.171 4.436 1.00 0.00 N ATOM 170 CA ASP A 10 14.638 -11.168 5.449 1.00 0.00 C ATOM 171 C ASP A 10 13.968 -12.386 4.823 1.00 0.00 C ATOM 172 O ASP A 10 14.647 -13.345 4.446 1.00 0.00 O ATOM 173 CB ASP A 10 13.761 -10.567 6.549 1.00 0.00 C ATOM 174 CG ASP A 10 13.497 -11.539 7.679 1.00 0.00 C ATOM 175 OD1 ASP A 10 14.466 -12.098 8.227 1.00 0.00 O ATOM 176 OD2 ASP A 10 12.319 -11.730 8.037 1.00 0.00 O ATOM 0 H ASP A 10 14.225 -9.453 4.322 1.00 0.00 H new ATOM 0 HA ASP A 10 15.575 -11.494 5.901 1.00 0.00 H new ATOM 0 HB2 ASP A 10 14.245 -9.675 6.947 1.00 0.00 H new ATOM 0 HB3 ASP A 10 12.811 -10.249 6.119 1.00 0.00 H new ATOM 181 N LYS A 11 12.647 -12.339 4.681 1.00 0.00 N ATOM 182 CA LYS A 11 11.905 -13.446 4.092 1.00 0.00 C ATOM 183 C LYS A 11 10.448 -13.069 3.855 1.00 0.00 C ATOM 184 O LYS A 11 9.821 -12.415 4.690 1.00 0.00 O ATOM 185 CB LYS A 11 11.972 -14.688 4.994 1.00 0.00 C ATOM 186 CG LYS A 11 11.125 -15.848 4.490 1.00 0.00 C ATOM 187 CD LYS A 11 11.608 -16.352 3.139 1.00 0.00 C ATOM 188 CE LYS A 11 10.518 -17.130 2.417 1.00 0.00 C ATOM 189 NZ LYS A 11 11.028 -17.792 1.190 1.00 0.00 N ATOM 0 H LYS A 11 12.070 -11.547 4.965 1.00 0.00 H new ATOM 0 HA LYS A 11 12.368 -13.674 3.132 1.00 0.00 H new ATOM 0 HB2 LYS A 11 13.009 -15.013 5.075 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.644 -14.417 5.997 1.00 0.00 H new ATOM 0 HG2 LYS A 11 11.155 -16.662 5.214 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.085 -15.531 4.410 1.00 0.00 H new ATOM 0 HD2 LYS A 11 11.923 -15.508 2.525 1.00 0.00 H new ATOM 0 HD3 LYS A 11 12.482 -16.989 3.277 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.103 -17.881 3.089 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.704 -16.454 2.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.254 -18.311 0.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.401 -17.073 0.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.787 -18.456 1.444 1.00 0.00 H new ATOM 203 N LEU A 12 9.931 -13.482 2.705 1.00 0.00 N ATOM 204 CA LEU A 12 8.516 -13.352 2.395 1.00 0.00 C ATOM 205 C LEU A 12 7.695 -14.272 3.289 1.00 0.00 C ATOM 206 O LEU A 12 7.820 -15.495 3.211 1.00 0.00 O ATOM 207 CB LEU A 12 8.274 -13.715 0.929 1.00 0.00 C ATOM 208 CG LEU A 12 6.810 -13.709 0.480 1.00 0.00 C ATOM 209 CD1 LEU A 12 6.179 -12.343 0.701 1.00 0.00 C ATOM 210 CD2 LEU A 12 6.703 -14.112 -0.982 1.00 0.00 C ATOM 0 H LEU A 12 10.481 -13.915 1.963 1.00 0.00 H new ATOM 0 HA LEU A 12 8.211 -12.321 2.570 1.00 0.00 H new ATOM 0 HB2 LEU A 12 8.830 -13.017 0.304 1.00 0.00 H new ATOM 0 HB3 LEU A 12 8.688 -14.707 0.746 1.00 0.00 H new ATOM 0 HG LEU A 12 6.266 -14.435 1.084 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.139 -12.365 0.374 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.221 -12.090 1.760 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.724 -11.593 0.127 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.656 -14.103 -1.286 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.265 -13.408 -1.596 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.111 -15.114 -1.114 1.00 0.00 H new ATOM 222 N LYS A 13 6.868 -13.689 4.139 1.00 0.00 N ATOM 223 CA LYS A 13 6.031 -14.472 5.037 1.00 0.00 C ATOM 224 C LYS A 13 4.782 -14.959 4.314 1.00 0.00 C ATOM 225 O LYS A 13 3.868 -14.175 4.051 1.00 0.00 O ATOM 226 CB LYS A 13 5.635 -13.645 6.263 1.00 0.00 C ATOM 227 CG LYS A 13 4.867 -14.441 7.308 1.00 0.00 C ATOM 228 CD LYS A 13 4.379 -13.559 8.444 1.00 0.00 C ATOM 229 CE LYS A 13 5.523 -12.836 9.137 1.00 0.00 C ATOM 230 NZ LYS A 13 5.036 -11.966 10.240 1.00 0.00 N ATOM 0 H LYS A 13 6.757 -12.679 4.228 1.00 0.00 H new ATOM 0 HA LYS A 13 6.606 -15.337 5.368 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.535 -13.233 6.720 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.026 -12.800 5.941 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.015 -14.932 6.837 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.507 -15.228 7.708 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.670 -12.827 8.056 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.842 -14.168 9.171 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.228 -13.567 9.534 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.066 -12.232 8.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.795 -11.317 10.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.217 -11.416 9.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.756 -12.556 11.049 1.00 0.00 H new ATOM 244 N LEU A 14 4.753 -16.261 4.007 1.00 0.00 N ATOM 245 CA LEU A 14 3.646 -16.896 3.325 1.00 0.00 C ATOM 246 C LEU A 14 3.372 -16.263 1.949 1.00 0.00 C ATOM 247 O LEU A 14 4.026 -15.294 1.557 1.00 0.00 O ATOM 248 CB LEU A 14 2.416 -16.823 4.217 1.00 0.00 C ATOM 249 CG LEU A 14 2.650 -17.141 5.698 1.00 0.00 C ATOM 250 CD1 LEU A 14 1.434 -16.751 6.523 1.00 0.00 C ATOM 251 CD2 LEU A 14 2.983 -18.612 5.886 1.00 0.00 C ATOM 0 H LEU A 14 5.513 -16.902 4.233 1.00 0.00 H new ATOM 0 HA LEU A 14 3.903 -17.938 3.135 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.994 -15.821 4.142 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.667 -17.514 3.830 1.00 0.00 H new ATOM 0 HG LEU A 14 3.501 -16.556 6.046 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.616 -16.983 7.572 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.248 -15.682 6.415 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.564 -17.307 6.174 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.145 -18.816 6.944 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.156 -19.222 5.522 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.887 -18.855 5.327 1.00 0.00 H new ATOM 263 N PRO A 15 2.446 -16.840 1.155 1.00 0.00 N ATOM 264 CA PRO A 15 1.987 -16.208 -0.087 1.00 0.00 C ATOM 265 C PRO A 15 1.153 -14.975 0.193 1.00 0.00 C ATOM 266 O PRO A 15 0.975 -14.096 -0.650 1.00 0.00 O ATOM 267 CB PRO A 15 1.154 -17.294 -0.766 1.00 0.00 C ATOM 268 CG PRO A 15 0.724 -18.188 0.334 1.00 0.00 C ATOM 269 CD PRO A 15 1.824 -18.162 1.358 1.00 0.00 C ATOM 0 HA PRO A 15 2.814 -15.862 -0.707 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.297 -16.867 -1.286 1.00 0.00 H new ATOM 0 HB3 PRO A 15 1.740 -17.835 -1.509 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.217 -17.847 0.766 1.00 0.00 H new ATOM 0 HG3 PRO A 15 0.558 -19.201 -0.032 1.00 0.00 H new ATOM 0 HD2 PRO A 15 1.434 -18.272 2.370 1.00 0.00 H new ATOM 0 HD3 PRO A 15 2.538 -18.971 1.202 1.00 0.00 H new ATOM 277 N VAL A 16 0.661 -14.938 1.402 1.00 0.00 N ATOM 278 CA VAL A 16 -0.104 -13.814 1.915 1.00 0.00 C ATOM 279 C VAL A 16 0.326 -13.538 3.344 1.00 0.00 C ATOM 280 O VAL A 16 0.106 -14.356 4.239 1.00 0.00 O ATOM 281 CB VAL A 16 -1.632 -14.058 1.900 1.00 0.00 C ATOM 282 CG1 VAL A 16 -2.377 -12.745 2.127 1.00 0.00 C ATOM 283 CG2 VAL A 16 -2.082 -14.705 0.600 1.00 0.00 C ATOM 0 H VAL A 16 0.778 -15.695 2.075 1.00 0.00 H new ATOM 0 HA VAL A 16 0.097 -12.966 1.260 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.869 -14.747 2.711 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.451 -12.929 2.114 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.092 -12.327 3.092 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.121 -12.040 1.336 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.160 -14.861 0.626 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.829 -14.054 -0.237 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.579 -15.664 0.478 1.00 0.00 H new ATOM 293 N ILE A 17 0.948 -12.393 3.539 1.00 0.00 N ATOM 294 CA ILE A 17 1.462 -11.995 4.837 1.00 0.00 C ATOM 295 C ILE A 17 0.294 -11.708 5.799 1.00 0.00 C ATOM 296 O ILE A 17 -0.868 -11.749 5.392 1.00 0.00 O ATOM 297 CB ILE A 17 2.389 -10.756 4.678 1.00 0.00 C ATOM 298 CG1 ILE A 17 3.344 -10.967 3.500 1.00 0.00 C ATOM 299 CG2 ILE A 17 3.202 -10.489 5.933 1.00 0.00 C ATOM 300 CD1 ILE A 17 4.338 -9.841 3.302 1.00 0.00 C ATOM 0 H ILE A 17 1.113 -11.709 2.800 1.00 0.00 H new ATOM 0 HA ILE A 17 2.053 -12.806 5.262 1.00 0.00 H new ATOM 0 HB ILE A 17 1.748 -9.893 4.497 1.00 0.00 H new ATOM 0 HG12 ILE A 17 3.891 -11.898 3.651 1.00 0.00 H new ATOM 0 HG13 ILE A 17 2.759 -11.086 2.588 1.00 0.00 H new ATOM 0 HG21 ILE A 17 3.835 -9.615 5.777 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.529 -10.305 6.770 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.826 -11.355 6.153 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.978 -10.066 2.449 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.801 -8.910 3.118 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.951 -9.735 4.197 1.00 0.00 H new ATOM 312 N ASP A 18 0.611 -11.419 7.063 1.00 0.00 N ATOM 313 CA ASP A 18 -0.387 -11.239 8.130 1.00 0.00 C ATOM 314 C ASP A 18 -1.489 -10.247 7.764 1.00 0.00 C ATOM 315 O ASP A 18 -2.552 -10.255 8.382 1.00 0.00 O ATOM 316 CB ASP A 18 0.293 -10.737 9.409 1.00 0.00 C ATOM 317 CG ASP A 18 1.503 -11.551 9.798 1.00 0.00 C ATOM 318 OD1 ASP A 18 2.631 -11.129 9.470 1.00 0.00 O ATOM 319 OD2 ASP A 18 1.338 -12.613 10.433 1.00 0.00 O ATOM 0 H ASP A 18 1.573 -11.302 7.381 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.845 -12.217 8.279 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.592 -9.698 9.270 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.427 -10.755 10.227 1.00 0.00 H new ATOM 324 N ASN A 19 -1.213 -9.382 6.788 1.00 0.00 N ATOM 325 CA ASN A 19 -2.120 -8.296 6.389 1.00 0.00 C ATOM 326 C ASN A 19 -2.133 -7.183 7.433 1.00 0.00 C ATOM 327 O ASN A 19 -2.144 -6.011 7.084 1.00 0.00 O ATOM 328 CB ASN A 19 -3.543 -8.792 6.094 1.00 0.00 C ATOM 329 CG ASN A 19 -3.618 -9.633 4.831 1.00 0.00 C ATOM 330 OD1 ASN A 19 -2.800 -9.487 3.918 1.00 0.00 O ATOM 331 ND2 ASN A 19 -4.615 -10.497 4.756 1.00 0.00 N ATOM 0 H ASN A 19 -0.349 -9.412 6.246 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.731 -7.890 5.455 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -3.902 -9.379 6.939 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.209 -7.935 5.996 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -4.729 -11.073 3.922 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -5.270 -10.588 5.532 1.00 0.00 H new ATOM 338 N LEU A 20 -2.117 -7.549 8.711 1.00 0.00 N ATOM 339 CA LEU A 20 -1.911 -6.592 9.782 1.00 0.00 C ATOM 340 C LEU A 20 -0.504 -6.021 9.680 1.00 0.00 C ATOM 341 O LEU A 20 -0.273 -4.846 9.953 1.00 0.00 O ATOM 342 CB LEU A 20 -2.120 -7.263 11.141 1.00 0.00 C ATOM 343 CG LEU A 20 -1.616 -6.461 12.339 1.00 0.00 C ATOM 344 CD1 LEU A 20 -2.339 -5.127 12.447 1.00 0.00 C ATOM 345 CD2 LEU A 20 -1.771 -7.262 13.617 1.00 0.00 C ATOM 0 H LEU A 20 -2.246 -8.510 9.027 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.635 -5.782 9.689 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.184 -7.457 11.274 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.618 -8.231 11.133 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.556 -6.255 12.188 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.961 -4.577 13.308 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.167 -4.546 11.541 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.408 -5.301 12.569 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.407 -6.675 14.460 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.823 -7.503 13.770 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.195 -8.184 13.541 1.00 0.00 H new ATOM 357 N PHE A 21 0.431 -6.870 9.272 1.00 0.00 N ATOM 358 CA PHE A 21 1.783 -6.423 8.979 1.00 0.00 C ATOM 359 C PHE A 21 1.726 -5.372 7.881 1.00 0.00 C ATOM 360 O PHE A 21 2.391 -4.345 7.957 1.00 0.00 O ATOM 361 CB PHE A 21 2.655 -7.608 8.551 1.00 0.00 C ATOM 362 CG PHE A 21 4.078 -7.236 8.233 1.00 0.00 C ATOM 363 CD1 PHE A 21 4.988 -6.995 9.249 1.00 0.00 C ATOM 364 CD2 PHE A 21 4.505 -7.137 6.918 1.00 0.00 C ATOM 365 CE1 PHE A 21 6.296 -6.658 8.960 1.00 0.00 C ATOM 366 CE2 PHE A 21 5.812 -6.800 6.623 1.00 0.00 C ATOM 367 CZ PHE A 21 6.709 -6.561 7.645 1.00 0.00 C ATOM 0 H PHE A 21 0.277 -7.869 9.137 1.00 0.00 H new ATOM 0 HA PHE A 21 2.228 -5.987 9.873 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.654 -8.353 9.347 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.208 -8.077 7.674 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.671 -7.071 10.279 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.808 -7.325 6.115 1.00 0.00 H new ATOM 0 HE1 PHE A 21 6.995 -6.470 9.761 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.132 -6.724 5.594 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.732 -6.299 7.417 1.00 0.00 H new ATOM 377 N GLY A 22 0.898 -5.629 6.876 1.00 0.00 N ATOM 378 CA GLY A 22 0.685 -4.660 5.824 1.00 0.00 C ATOM 379 C GLY A 22 0.008 -3.416 6.354 1.00 0.00 C ATOM 380 O GLY A 22 0.384 -2.306 6.008 1.00 0.00 O ATOM 0 H GLY A 22 0.369 -6.495 6.773 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.641 -4.393 5.373 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.074 -5.102 5.037 1.00 0.00 H new ATOM 384 N LYS A 23 -0.989 -3.611 7.207 1.00 0.00 N ATOM 385 CA LYS A 23 -1.688 -2.514 7.853 1.00 0.00 C ATOM 386 C LYS A 23 -0.703 -1.560 8.519 1.00 0.00 C ATOM 387 O LYS A 23 -0.852 -0.346 8.430 1.00 0.00 O ATOM 388 CB LYS A 23 -2.674 -3.078 8.875 1.00 0.00 C ATOM 389 CG LYS A 23 -3.954 -3.616 8.258 1.00 0.00 C ATOM 390 CD LYS A 23 -4.809 -2.503 7.674 1.00 0.00 C ATOM 391 CE LYS A 23 -6.088 -3.051 7.066 1.00 0.00 C ATOM 392 NZ LYS A 23 -7.017 -1.970 6.642 1.00 0.00 N ATOM 0 H LYS A 23 -1.334 -4.535 7.469 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.237 -1.947 7.101 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.187 -3.877 9.434 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.927 -2.297 9.592 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.707 -4.334 7.476 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.525 -4.154 9.015 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.054 -1.782 8.454 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.242 -1.968 6.912 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.842 -3.674 6.206 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.587 -3.693 7.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.928 -2.083 7.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.607 -1.045 6.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.167 -2.024 5.614 1.00 0.00 H new ATOM 406 N GLU A 24 0.308 -2.125 9.167 1.00 0.00 N ATOM 407 CA GLU A 24 1.397 -1.366 9.739 1.00 0.00 C ATOM 408 C GLU A 24 2.102 -0.531 8.672 1.00 0.00 C ATOM 409 O GLU A 24 2.245 0.681 8.820 1.00 0.00 O ATOM 410 CB GLU A 24 2.362 -2.342 10.379 1.00 0.00 C ATOM 411 CG GLU A 24 2.187 -2.471 11.872 1.00 0.00 C ATOM 412 CD GLU A 24 2.632 -1.231 12.622 1.00 0.00 C ATOM 413 OE1 GLU A 24 3.829 -1.130 12.962 1.00 0.00 O ATOM 414 OE2 GLU A 24 1.790 -0.345 12.875 1.00 0.00 O ATOM 0 H GLU A 24 0.390 -3.132 9.308 1.00 0.00 H new ATOM 0 HA GLU A 24 1.012 -0.673 10.487 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.233 -3.322 9.920 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.383 -2.023 10.167 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.139 -2.669 12.095 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.756 -3.330 12.228 1.00 0.00 H new ATOM 421 N LEU A 25 2.544 -1.199 7.608 1.00 0.00 N ATOM 422 CA LEU A 25 3.126 -0.535 6.445 1.00 0.00 C ATOM 423 C LEU A 25 2.264 0.631 5.986 1.00 0.00 C ATOM 424 O LEU A 25 2.678 1.788 6.041 1.00 0.00 O ATOM 425 CB LEU A 25 3.233 -1.521 5.285 1.00 0.00 C ATOM 426 CG LEU A 25 4.490 -2.379 5.225 1.00 0.00 C ATOM 427 CD1 LEU A 25 4.669 -3.200 6.488 1.00 0.00 C ATOM 428 CD2 LEU A 25 4.414 -3.278 4.007 1.00 0.00 C ATOM 0 H LEU A 25 2.508 -2.215 7.529 1.00 0.00 H new ATOM 0 HA LEU A 25 4.110 -0.168 6.737 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.370 -2.186 5.324 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.161 -0.959 4.354 1.00 0.00 H new ATOM 0 HG LEU A 25 5.358 -1.725 5.147 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.576 -3.799 6.407 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.749 -2.534 7.347 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.810 -3.858 6.619 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.310 -3.897 3.955 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.535 -3.918 4.081 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.343 -2.667 3.107 1.00 0.00 H new ATOM 440 N LEU A 26 1.055 0.303 5.553 1.00 0.00 N ATOM 441 CA LEU A 26 0.150 1.275 4.963 1.00 0.00 C ATOM 442 C LEU A 26 -0.169 2.398 5.941 1.00 0.00 C ATOM 443 O LEU A 26 -0.389 3.531 5.536 1.00 0.00 O ATOM 444 CB LEU A 26 -1.148 0.599 4.499 1.00 0.00 C ATOM 445 CG LEU A 26 -1.059 -0.198 3.188 1.00 0.00 C ATOM 446 CD1 LEU A 26 -0.167 -1.411 3.335 1.00 0.00 C ATOM 447 CD2 LEU A 26 -2.448 -0.601 2.721 1.00 0.00 C ATOM 0 H LEU A 26 0.676 -0.643 5.601 1.00 0.00 H new ATOM 0 HA LEU A 26 0.652 1.707 4.097 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.487 -0.073 5.288 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.913 1.367 4.384 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.610 0.446 2.432 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.128 -1.950 2.389 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.838 -1.092 3.613 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.567 -2.065 4.109 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.370 -1.165 1.791 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.922 -1.220 3.482 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.049 0.293 2.554 1.00 0.00 H new ATOM 459 N ASP A 27 -0.199 2.078 7.224 1.00 0.00 N ATOM 460 CA ASP A 27 -0.433 3.088 8.261 1.00 0.00 C ATOM 461 C ASP A 27 0.709 4.101 8.313 1.00 0.00 C ATOM 462 O ASP A 27 0.478 5.305 8.424 1.00 0.00 O ATOM 463 CB ASP A 27 -0.605 2.424 9.630 1.00 0.00 C ATOM 464 CG ASP A 27 -0.696 3.426 10.765 1.00 0.00 C ATOM 465 OD1 ASP A 27 0.247 3.490 11.583 1.00 0.00 O ATOM 466 OD2 ASP A 27 -1.710 4.150 10.852 1.00 0.00 O ATOM 0 H ASP A 27 -0.065 1.131 7.579 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.351 3.618 8.006 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.506 1.811 9.620 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.235 1.753 9.811 1.00 0.00 H new ATOM 471 N LYS A 28 1.939 3.609 8.219 1.00 0.00 N ATOM 472 CA LYS A 28 3.116 4.474 8.252 1.00 0.00 C ATOM 473 C LYS A 28 3.231 5.273 6.962 1.00 0.00 C ATOM 474 O LYS A 28 3.528 6.468 6.978 1.00 0.00 O ATOM 475 CB LYS A 28 4.390 3.644 8.432 1.00 0.00 C ATOM 476 CG LYS A 28 4.343 2.689 9.608 1.00 0.00 C ATOM 477 CD LYS A 28 5.564 1.790 9.640 1.00 0.00 C ATOM 478 CE LYS A 28 5.357 0.608 10.570 1.00 0.00 C ATOM 479 NZ LYS A 28 5.006 1.032 11.950 1.00 0.00 N ATOM 0 H LYS A 28 2.149 2.616 8.119 1.00 0.00 H new ATOM 0 HA LYS A 28 3.002 5.156 9.095 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.571 3.074 7.521 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.236 4.319 8.559 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.282 3.256 10.537 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.442 2.079 9.548 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.779 1.430 8.634 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.432 2.364 9.966 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.565 -0.028 10.175 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.265 0.006 10.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.841 0.192 12.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.787 1.589 12.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.143 1.613 11.926 1.00 0.00 H new ATOM 493 N PHE A 29 2.984 4.602 5.846 1.00 0.00 N ATOM 494 CA PHE A 29 3.192 5.196 4.531 1.00 0.00 C ATOM 495 C PHE A 29 1.946 5.951 4.087 1.00 0.00 C ATOM 496 O PHE A 29 1.911 6.537 3.000 1.00 0.00 O ATOM 497 CB PHE A 29 3.531 4.115 3.494 1.00 0.00 C ATOM 498 CG PHE A 29 4.513 3.070 3.963 1.00 0.00 C ATOM 499 CD1 PHE A 29 5.413 3.327 4.986 1.00 0.00 C ATOM 500 CD2 PHE A 29 4.527 1.820 3.374 1.00 0.00 C ATOM 501 CE1 PHE A 29 6.298 2.358 5.409 1.00 0.00 C ATOM 502 CE2 PHE A 29 5.413 0.846 3.792 1.00 0.00 C ATOM 503 CZ PHE A 29 6.299 1.116 4.812 1.00 0.00 C ATOM 0 H PHE A 29 2.638 3.643 5.824 1.00 0.00 H new ATOM 0 HA PHE A 29 4.028 5.891 4.604 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.609 3.617 3.195 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.935 4.599 2.605 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.421 4.299 5.458 1.00 0.00 H new ATOM 0 HD2 PHE A 29 3.835 1.601 2.575 1.00 0.00 H new ATOM 0 HE1 PHE A 29 6.991 2.573 6.209 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.411 -0.125 3.320 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.992 0.357 5.143 1.00 0.00 H new ATOM 513 N GLN A 30 0.925 5.928 4.938 1.00 0.00 N ATOM 514 CA GLN A 30 -0.328 6.570 4.658 1.00 0.00 C ATOM 515 C GLN A 30 -0.133 8.042 4.362 1.00 0.00 C ATOM 516 O GLN A 30 -0.802 8.589 3.502 1.00 0.00 O ATOM 517 CB GLN A 30 -1.260 6.403 5.844 1.00 0.00 C ATOM 518 CG GLN A 30 -2.648 6.851 5.549 1.00 0.00 C ATOM 519 CD GLN A 30 -3.567 6.813 6.751 1.00 0.00 C ATOM 520 OE1 GLN A 30 -4.765 6.574 6.617 1.00 0.00 O ATOM 521 NE2 GLN A 30 -3.021 7.069 7.929 1.00 0.00 N ATOM 0 H GLN A 30 0.957 5.458 5.842 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.765 6.102 3.776 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.276 5.355 6.144 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.871 6.970 6.690 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -2.617 7.868 5.158 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -3.065 6.220 4.764 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.022 7.263 7.997 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.599 7.073 8.769 1.00 0.00 H new ATOM 530 N ASP A 31 0.799 8.674 5.064 1.00 0.00 N ATOM 531 CA ASP A 31 1.054 10.099 4.884 1.00 0.00 C ATOM 532 C ASP A 31 1.356 10.421 3.421 1.00 0.00 C ATOM 533 O ASP A 31 0.935 11.454 2.911 1.00 0.00 O ATOM 534 CB ASP A 31 2.211 10.554 5.777 1.00 0.00 C ATOM 535 CG ASP A 31 2.500 12.038 5.655 1.00 0.00 C ATOM 536 OD1 ASP A 31 3.302 12.423 4.778 1.00 0.00 O ATOM 537 OD2 ASP A 31 1.930 12.831 6.438 1.00 0.00 O ATOM 0 H ASP A 31 1.391 8.224 5.762 1.00 0.00 H new ATOM 0 HA ASP A 31 0.154 10.641 5.174 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.977 10.318 6.815 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.108 9.991 5.517 1.00 0.00 H new ATOM 542 N ASP A 32 2.048 9.515 2.738 1.00 0.00 N ATOM 543 CA ASP A 32 2.362 9.711 1.324 1.00 0.00 C ATOM 544 C ASP A 32 1.122 9.474 0.484 1.00 0.00 C ATOM 545 O ASP A 32 0.747 10.297 -0.347 1.00 0.00 O ATOM 546 CB ASP A 32 3.469 8.761 0.855 1.00 0.00 C ATOM 547 CG ASP A 32 4.805 9.041 1.503 1.00 0.00 C ATOM 548 OD1 ASP A 32 5.264 10.200 1.459 1.00 0.00 O ATOM 549 OD2 ASP A 32 5.408 8.097 2.058 1.00 0.00 O ATOM 0 H ASP A 32 2.400 8.644 3.135 1.00 0.00 H new ATOM 0 HA ASP A 32 2.711 10.736 1.203 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.175 7.734 1.073 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.573 8.840 -0.227 1.00 0.00 H new ATOM 554 N ILE A 33 0.476 8.347 0.730 1.00 0.00 N ATOM 555 CA ILE A 33 -0.707 7.949 -0.021 1.00 0.00 C ATOM 556 C ILE A 33 -1.849 8.953 0.180 1.00 0.00 C ATOM 557 O ILE A 33 -2.663 9.192 -0.714 1.00 0.00 O ATOM 558 CB ILE A 33 -1.174 6.545 0.421 1.00 0.00 C ATOM 559 CG1 ILE A 33 -0.007 5.552 0.373 1.00 0.00 C ATOM 560 CG2 ILE A 33 -2.308 6.063 -0.467 1.00 0.00 C ATOM 561 CD1 ILE A 33 -0.297 4.230 1.057 1.00 0.00 C ATOM 0 H ILE A 33 0.754 7.683 1.453 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.441 7.928 -1.078 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.535 6.609 1.448 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.253 5.362 -0.668 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.865 6.008 0.841 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.627 5.072 -0.144 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.146 6.756 -0.395 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.965 6.015 -1.501 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.576 3.582 0.981 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.527 4.407 2.108 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.149 3.750 0.575 1.00 0.00 H new ATOM 573 N LYS A 34 -1.878 9.558 1.350 1.00 0.00 N ATOM 574 CA LYS A 34 -2.953 10.447 1.745 1.00 0.00 C ATOM 575 C LYS A 34 -2.646 11.876 1.316 1.00 0.00 C ATOM 576 O LYS A 34 -3.547 12.668 1.057 1.00 0.00 O ATOM 577 CB LYS A 34 -3.132 10.341 3.254 1.00 0.00 C ATOM 578 CG LYS A 34 -4.473 10.816 3.776 1.00 0.00 C ATOM 579 CD LYS A 34 -4.735 10.246 5.163 1.00 0.00 C ATOM 580 CE LYS A 34 -6.123 10.590 5.675 1.00 0.00 C ATOM 581 NZ LYS A 34 -6.415 9.933 6.978 1.00 0.00 N ATOM 0 H LYS A 34 -1.152 9.446 2.058 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.882 10.160 1.253 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -2.992 9.301 3.549 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.345 10.918 3.739 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.490 11.905 3.814 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.266 10.508 3.094 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.618 9.163 5.136 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.988 10.630 5.858 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.211 11.671 5.786 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.867 10.284 4.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.245 9.315 6.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.595 9.366 7.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.610 10.659 7.697 1.00 0.00 H new ATOM 595 N ASP A 35 -1.367 12.200 1.248 1.00 0.00 N ATOM 596 CA ASP A 35 -0.930 13.466 0.673 1.00 0.00 C ATOM 597 C ASP A 35 -1.165 13.480 -0.825 1.00 0.00 C ATOM 598 O ASP A 35 -1.771 14.400 -1.371 1.00 0.00 O ATOM 599 CB ASP A 35 0.555 13.692 0.928 1.00 0.00 C ATOM 600 CG ASP A 35 1.068 14.980 0.305 1.00 0.00 C ATOM 601 OD1 ASP A 35 1.478 14.960 -0.879 1.00 0.00 O ATOM 602 OD2 ASP A 35 1.068 16.022 0.996 1.00 0.00 O ATOM 0 H ASP A 35 -0.610 11.605 1.584 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.509 14.258 1.148 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.735 13.716 2.003 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.120 12.850 0.529 1.00 0.00 H new ATOM 607 N LYS A 36 -0.673 12.441 -1.475 1.00 0.00 N ATOM 608 CA LYS A 36 -0.663 12.364 -2.924 1.00 0.00 C ATOM 609 C LYS A 36 -2.042 12.062 -3.507 1.00 0.00 C ATOM 610 O LYS A 36 -2.449 12.674 -4.495 1.00 0.00 O ATOM 611 CB LYS A 36 0.347 11.316 -3.361 1.00 0.00 C ATOM 612 CG LYS A 36 1.763 11.674 -2.950 1.00 0.00 C ATOM 613 CD LYS A 36 2.685 10.489 -3.048 1.00 0.00 C ATOM 614 CE LYS A 36 2.893 10.037 -4.483 1.00 0.00 C ATOM 615 NZ LYS A 36 3.491 11.108 -5.324 1.00 0.00 N ATOM 0 H LYS A 36 -0.269 11.626 -1.013 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.376 13.342 -3.310 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.078 10.353 -2.928 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.303 11.202 -4.444 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.134 12.478 -3.585 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.761 12.051 -1.927 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.648 10.744 -2.606 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.276 9.664 -2.465 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.541 9.161 -4.497 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.937 9.733 -4.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.864 10.693 -6.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.763 11.814 -5.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.265 11.568 -4.803 1.00 0.00 H new ATOM 629 N TYR A 37 -2.762 11.130 -2.897 1.00 0.00 N ATOM 630 CA TYR A 37 -4.033 10.674 -3.458 1.00 0.00 C ATOM 631 C TYR A 37 -5.189 10.922 -2.493 1.00 0.00 C ATOM 632 O TYR A 37 -6.353 10.919 -2.890 1.00 0.00 O ATOM 633 CB TYR A 37 -3.935 9.187 -3.806 1.00 0.00 C ATOM 634 CG TYR A 37 -2.637 8.836 -4.486 1.00 0.00 C ATOM 635 CD1 TYR A 37 -2.426 9.141 -5.824 1.00 0.00 C ATOM 636 CD2 TYR A 37 -1.606 8.234 -3.777 1.00 0.00 C ATOM 637 CE1 TYR A 37 -1.223 8.854 -6.435 1.00 0.00 C ATOM 638 CE2 TYR A 37 -0.404 7.937 -4.382 1.00 0.00 C ATOM 639 CZ TYR A 37 -0.217 8.255 -5.710 1.00 0.00 C ATOM 640 OH TYR A 37 0.989 7.988 -6.310 1.00 0.00 O ATOM 0 H TYR A 37 -2.494 10.677 -2.023 1.00 0.00 H new ATOM 0 HA TYR A 37 -4.235 11.245 -4.364 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -4.035 8.597 -2.895 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.767 8.914 -4.455 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -3.215 9.609 -6.394 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.749 7.994 -2.734 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.071 9.098 -7.476 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.385 7.459 -3.820 1.00 0.00 H new ATOM 0 HH TYR A 37 1.312 8.793 -6.766 1.00 0.00 H new ATOM 650 N GLY A 38 -4.863 11.138 -1.226 1.00 0.00 N ATOM 651 CA GLY A 38 -5.885 11.419 -0.233 1.00 0.00 C ATOM 652 C GLY A 38 -6.556 10.161 0.273 1.00 0.00 C ATOM 653 O GLY A 38 -7.725 10.180 0.650 1.00 0.00 O ATOM 0 H GLY A 38 -3.909 11.124 -0.866 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.437 11.951 0.606 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.636 12.080 -0.665 1.00 0.00 H new ATOM 657 N VAL A 39 -5.809 9.070 0.294 1.00 0.00 N ATOM 658 CA VAL A 39 -6.355 7.777 0.666 1.00 0.00 C ATOM 659 C VAL A 39 -6.178 7.506 2.153 1.00 0.00 C ATOM 660 O VAL A 39 -5.195 7.925 2.759 1.00 0.00 O ATOM 661 CB VAL A 39 -5.656 6.654 -0.105 1.00 0.00 C ATOM 662 CG1 VAL A 39 -6.373 5.333 0.089 1.00 0.00 C ATOM 663 CG2 VAL A 39 -5.552 6.993 -1.580 1.00 0.00 C ATOM 0 H VAL A 39 -4.817 9.055 0.056 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.417 7.801 0.423 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.647 6.554 0.294 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.856 4.553 -0.469 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.382 5.076 1.148 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.398 5.419 -0.272 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.052 6.180 -2.106 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.551 7.132 -1.993 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.978 7.912 -1.703 1.00 0.00 H new ATOM 673 N ASP A 40 -7.129 6.790 2.725 1.00 0.00 N ATOM 674 CA ASP A 40 -7.038 6.367 4.111 1.00 0.00 C ATOM 675 C ASP A 40 -6.795 4.863 4.159 1.00 0.00 C ATOM 676 O ASP A 40 -7.599 4.080 3.650 1.00 0.00 O ATOM 677 CB ASP A 40 -8.314 6.727 4.865 1.00 0.00 C ATOM 678 CG ASP A 40 -8.145 6.613 6.362 1.00 0.00 C ATOM 679 OD1 ASP A 40 -8.398 5.525 6.916 1.00 0.00 O ATOM 680 OD2 ASP A 40 -7.763 7.620 6.995 1.00 0.00 O ATOM 0 H ASP A 40 -7.978 6.488 2.248 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.207 6.883 4.592 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -8.609 7.745 4.611 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.122 6.071 4.542 1.00 0.00 H new ATOM 685 N THR A 41 -5.691 4.458 4.763 1.00 0.00 N ATOM 686 CA THR A 41 -5.255 3.071 4.696 1.00 0.00 C ATOM 687 C THR A 41 -6.006 2.175 5.679 1.00 0.00 C ATOM 688 O THR A 41 -5.960 0.945 5.576 1.00 0.00 O ATOM 689 CB THR A 41 -3.741 2.968 4.933 1.00 0.00 C ATOM 690 OG1 THR A 41 -3.386 3.655 6.137 1.00 0.00 O ATOM 691 CG2 THR A 41 -2.976 3.563 3.759 1.00 0.00 C ATOM 0 H THR A 41 -5.080 5.068 5.305 1.00 0.00 H new ATOM 0 HA THR A 41 -5.486 2.715 3.692 1.00 0.00 H new ATOM 0 HB THR A 41 -3.477 1.915 5.027 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.124 3.003 6.820 1.00 0.00 H new ATOM 0 HG21 THR A 41 -1.905 3.482 3.944 1.00 0.00 H new ATOM 0 HG22 THR A 41 -3.229 3.021 2.848 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.245 4.613 3.644 1.00 0.00 H new ATOM 699 N LYS A 42 -6.709 2.790 6.621 1.00 0.00 N ATOM 700 CA LYS A 42 -7.553 2.060 7.544 1.00 0.00 C ATOM 701 C LYS A 42 -8.820 1.603 6.826 1.00 0.00 C ATOM 702 O LYS A 42 -9.492 0.658 7.244 1.00 0.00 O ATOM 703 CB LYS A 42 -7.907 2.956 8.730 1.00 0.00 C ATOM 704 CG LYS A 42 -8.642 2.235 9.835 1.00 0.00 C ATOM 705 CD LYS A 42 -9.116 3.199 10.908 1.00 0.00 C ATOM 706 CE LYS A 42 -9.775 2.472 12.069 1.00 0.00 C ATOM 707 NZ LYS A 42 -8.808 1.637 12.828 1.00 0.00 N ATOM 0 H LYS A 42 -6.708 3.800 6.762 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.022 1.182 7.912 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.991 3.387 9.135 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.521 3.785 8.378 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.497 1.703 9.418 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.987 1.486 10.281 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.269 3.779 11.276 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.822 3.907 10.474 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.230 3.200 12.741 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.579 1.841 11.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.250 1.310 13.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.533 0.815 12.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.963 2.201 13.052 1.00 0.00 H new ATOM 721 N ASP A 43 -9.122 2.279 5.727 1.00 0.00 N ATOM 722 CA ASP A 43 -10.291 1.966 4.921 1.00 0.00 C ATOM 723 C ASP A 43 -9.937 0.891 3.923 1.00 0.00 C ATOM 724 O ASP A 43 -10.711 -0.029 3.662 1.00 0.00 O ATOM 725 CB ASP A 43 -10.763 3.204 4.176 1.00 0.00 C ATOM 726 CG ASP A 43 -12.014 2.947 3.363 1.00 0.00 C ATOM 727 OD1 ASP A 43 -11.896 2.744 2.139 1.00 0.00 O ATOM 728 OD2 ASP A 43 -13.120 2.942 3.941 1.00 0.00 O ATOM 0 H ASP A 43 -8.566 3.056 5.371 1.00 0.00 H new ATOM 0 HA ASP A 43 -11.090 1.618 5.576 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -10.956 4.004 4.891 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -9.969 3.552 3.515 1.00 0.00 H new ATOM 733 N LEU A 44 -8.750 1.044 3.365 1.00 0.00 N ATOM 734 CA LEU A 44 -8.195 0.085 2.425 1.00 0.00 C ATOM 735 C LEU A 44 -8.198 -1.322 3.006 1.00 0.00 C ATOM 736 O LEU A 44 -7.440 -1.627 3.930 1.00 0.00 O ATOM 737 CB LEU A 44 -6.764 0.472 2.065 1.00 0.00 C ATOM 738 CG LEU A 44 -6.601 1.837 1.406 1.00 0.00 C ATOM 739 CD1 LEU A 44 -5.129 2.138 1.185 1.00 0.00 C ATOM 740 CD2 LEU A 44 -7.359 1.885 0.090 1.00 0.00 C ATOM 0 H LEU A 44 -8.140 1.840 3.551 1.00 0.00 H new ATOM 0 HA LEU A 44 -8.820 0.097 1.532 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.161 0.452 2.973 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.358 -0.286 1.396 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.016 2.597 2.068 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.024 3.115 0.714 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.610 2.140 2.144 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.695 1.375 0.539 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.232 2.866 -0.367 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.971 1.119 -0.581 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.418 1.704 0.273 1.00 0.00 H new ATOM 752 N LYS A 45 -9.057 -2.169 2.468 1.00 0.00 N ATOM 753 CA LYS A 45 -9.110 -3.554 2.870 1.00 0.00 C ATOM 754 C LYS A 45 -7.960 -4.304 2.226 1.00 0.00 C ATOM 755 O LYS A 45 -7.951 -4.506 1.014 1.00 0.00 O ATOM 756 CB LYS A 45 -10.444 -4.170 2.452 1.00 0.00 C ATOM 757 CG LYS A 45 -10.495 -5.673 2.614 1.00 0.00 C ATOM 758 CD LYS A 45 -11.774 -6.257 2.038 1.00 0.00 C ATOM 759 CE LYS A 45 -11.821 -7.768 2.197 1.00 0.00 C ATOM 760 NZ LYS A 45 -12.997 -8.362 1.509 1.00 0.00 N ATOM 0 H LYS A 45 -9.731 -1.914 1.746 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.023 -3.623 3.954 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -11.243 -3.722 3.043 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.640 -3.919 1.410 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.634 -6.122 2.118 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -10.422 -5.928 3.671 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -12.635 -5.811 2.536 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -11.849 -5.999 0.982 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.907 -8.204 1.794 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -11.855 -8.021 3.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -12.992 -9.394 1.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -13.871 -7.965 1.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -12.952 -8.143 0.493 1.00 0.00 H new ATOM 774 N ILE A 46 -6.981 -4.689 3.023 1.00 0.00 N ATOM 775 CA ILE A 46 -5.841 -5.408 2.496 1.00 0.00 C ATOM 776 C ILE A 46 -6.234 -6.836 2.155 1.00 0.00 C ATOM 777 O ILE A 46 -6.611 -7.623 3.022 1.00 0.00 O ATOM 778 CB ILE A 46 -4.643 -5.392 3.464 1.00 0.00 C ATOM 779 CG1 ILE A 46 -4.175 -3.947 3.684 1.00 0.00 C ATOM 780 CG2 ILE A 46 -3.517 -6.248 2.907 1.00 0.00 C ATOM 781 CD1 ILE A 46 -2.933 -3.819 4.539 1.00 0.00 C ATOM 0 H ILE A 46 -6.953 -4.517 4.028 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.523 -4.897 1.587 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.945 -5.807 4.425 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.983 -3.488 2.714 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.983 -3.383 4.150 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.673 -6.232 3.596 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.866 -7.273 2.784 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.204 -5.853 1.941 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.671 -2.766 4.644 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.124 -4.246 5.524 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.109 -4.353 4.066 1.00 0.00 H new ATOM 793 N LEU A 47 -6.164 -7.140 0.872 1.00 0.00 N ATOM 794 CA LEU A 47 -6.594 -8.421 0.347 1.00 0.00 C ATOM 795 C LEU A 47 -5.456 -9.423 0.413 1.00 0.00 C ATOM 796 O LEU A 47 -5.655 -10.595 0.727 1.00 0.00 O ATOM 797 CB LEU A 47 -7.039 -8.249 -1.106 1.00 0.00 C ATOM 798 CG LEU A 47 -7.886 -7.003 -1.376 1.00 0.00 C ATOM 799 CD1 LEU A 47 -8.214 -6.890 -2.855 1.00 0.00 C ATOM 800 CD2 LEU A 47 -9.165 -7.033 -0.552 1.00 0.00 C ATOM 0 H LEU A 47 -5.805 -6.501 0.162 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.426 -8.791 0.946 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.153 -8.213 -1.740 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.609 -9.129 -1.403 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.306 -6.128 -1.081 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -8.817 -5.998 -3.027 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.290 -6.819 -3.428 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.771 -7.771 -3.172 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -9.752 -6.138 -0.759 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -9.746 -7.917 -0.814 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.914 -7.065 0.508 1.00 0.00 H new ATOM 812 N LYS A 48 -4.258 -8.943 0.121 1.00 0.00 N ATOM 813 CA LYS A 48 -3.092 -9.792 0.058 1.00 0.00 C ATOM 814 C LYS A 48 -1.837 -8.968 0.282 1.00 0.00 C ATOM 815 O LYS A 48 -1.423 -8.204 -0.592 1.00 0.00 O ATOM 816 CB LYS A 48 -3.010 -10.484 -1.305 1.00 0.00 C ATOM 817 CG LYS A 48 -2.203 -11.771 -1.283 1.00 0.00 C ATOM 818 CD LYS A 48 -2.121 -12.412 -2.661 1.00 0.00 C ATOM 819 CE LYS A 48 -1.033 -11.789 -3.522 1.00 0.00 C ATOM 820 NZ LYS A 48 0.324 -12.260 -3.134 1.00 0.00 N ATOM 0 H LYS A 48 -4.073 -7.960 -0.077 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.173 -10.549 0.838 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.019 -10.703 -1.654 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.565 -9.798 -2.026 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.197 -11.563 -0.919 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.657 -12.472 -0.583 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.929 -13.479 -2.552 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.082 -12.311 -3.164 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.215 -12.032 -4.569 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.079 -10.703 -3.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.992 -12.068 -3.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.633 -11.759 -2.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.296 -13.283 -2.946 1.00 0.00 H new ATOM 834 N THR A 49 -1.260 -9.091 1.461 1.00 0.00 N ATOM 835 CA THR A 49 0.027 -8.482 1.728 1.00 0.00 C ATOM 836 C THR A 49 1.114 -9.411 1.231 1.00 0.00 C ATOM 837 O THR A 49 1.091 -10.604 1.530 1.00 0.00 O ATOM 838 CB THR A 49 0.252 -8.219 3.230 1.00 0.00 C ATOM 839 OG1 THR A 49 -0.892 -7.574 3.792 1.00 0.00 O ATOM 840 CG2 THR A 49 1.477 -7.343 3.450 1.00 0.00 C ATOM 0 H THR A 49 -1.660 -9.605 2.246 1.00 0.00 H new ATOM 0 HA THR A 49 0.054 -7.521 1.214 1.00 0.00 H new ATOM 0 HB THR A 49 0.411 -9.180 3.720 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.663 -8.177 3.747 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.615 -7.172 4.518 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.358 -7.841 3.046 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.337 -6.388 2.944 1.00 0.00 H new ATOM 848 N SER A 50 2.032 -8.893 0.441 1.00 0.00 N ATOM 849 CA SER A 50 3.160 -9.680 -0.015 1.00 0.00 C ATOM 850 C SER A 50 4.322 -8.762 -0.359 1.00 0.00 C ATOM 851 O SER A 50 4.211 -7.541 -0.240 1.00 0.00 O ATOM 852 CB SER A 50 2.771 -10.510 -1.244 1.00 0.00 C ATOM 853 OG SER A 50 1.590 -11.261 -1.005 1.00 0.00 O ATOM 0 H SER A 50 2.020 -7.931 0.101 1.00 0.00 H new ATOM 0 HA SER A 50 3.460 -10.358 0.784 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.619 -9.850 -2.098 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.587 -11.184 -1.504 1.00 0.00 H new ATOM 0 HG SER A 50 1.482 -11.402 -0.041 1.00 0.00 H new ATOM 859 N GLU A 51 5.427 -9.351 -0.775 1.00 0.00 N ATOM 860 CA GLU A 51 6.577 -8.587 -1.207 1.00 0.00 C ATOM 861 C GLU A 51 7.419 -9.417 -2.161 1.00 0.00 C ATOM 862 O GLU A 51 7.047 -10.538 -2.513 1.00 0.00 O ATOM 863 CB GLU A 51 7.419 -8.138 -0.009 1.00 0.00 C ATOM 864 CG GLU A 51 8.062 -9.273 0.770 1.00 0.00 C ATOM 865 CD GLU A 51 9.049 -8.760 1.794 1.00 0.00 C ATOM 866 OE1 GLU A 51 10.114 -8.253 1.383 1.00 0.00 O ATOM 867 OE2 GLU A 51 8.761 -8.845 3.003 1.00 0.00 O ATOM 0 H GLU A 51 5.551 -10.362 -0.822 1.00 0.00 H new ATOM 0 HA GLU A 51 6.224 -7.695 -1.724 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.202 -7.467 -0.362 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.787 -7.562 0.667 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.288 -9.855 1.270 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.571 -9.946 0.080 1.00 0.00 H new ATOM 874 N ASP A 52 8.537 -8.860 -2.588 1.00 0.00 N ATOM 875 CA ASP A 52 9.463 -9.573 -3.449 1.00 0.00 C ATOM 876 C ASP A 52 10.877 -9.420 -2.908 1.00 0.00 C ATOM 877 O ASP A 52 11.336 -10.237 -2.111 1.00 0.00 O ATOM 878 CB ASP A 52 9.379 -9.048 -4.887 1.00 0.00 C ATOM 879 CG ASP A 52 10.041 -9.974 -5.886 1.00 0.00 C ATOM 880 OD1 ASP A 52 11.286 -10.027 -5.927 1.00 0.00 O ATOM 881 OD2 ASP A 52 9.315 -10.649 -6.642 1.00 0.00 O ATOM 0 H ASP A 52 8.827 -7.911 -2.351 1.00 0.00 H new ATOM 0 HA ASP A 52 9.195 -10.630 -3.461 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.332 -8.914 -5.160 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.850 -8.067 -4.939 1.00 0.00 H new ATOM 886 N LYS A 53 11.555 -8.358 -3.323 1.00 0.00 N ATOM 887 CA LYS A 53 12.871 -8.035 -2.788 1.00 0.00 C ATOM 888 C LYS A 53 12.884 -6.577 -2.329 1.00 0.00 C ATOM 889 O LYS A 53 12.672 -6.283 -1.155 1.00 0.00 O ATOM 890 CB LYS A 53 13.976 -8.280 -3.831 1.00 0.00 C ATOM 891 CG LYS A 53 13.920 -9.639 -4.509 1.00 0.00 C ATOM 892 CD LYS A 53 14.070 -10.788 -3.527 1.00 0.00 C ATOM 893 CE LYS A 53 13.838 -12.125 -4.216 1.00 0.00 C ATOM 894 NZ LYS A 53 12.478 -12.213 -4.814 1.00 0.00 N ATOM 0 H LYS A 53 11.215 -7.705 -4.029 1.00 0.00 H new ATOM 0 HA LYS A 53 13.073 -8.688 -1.939 1.00 0.00 H new ATOM 0 HB2 LYS A 53 13.914 -7.505 -4.595 1.00 0.00 H new ATOM 0 HB3 LYS A 53 14.946 -8.171 -3.345 1.00 0.00 H new ATOM 0 HG2 LYS A 53 12.972 -9.739 -5.037 1.00 0.00 H new ATOM 0 HG3 LYS A 53 14.710 -9.700 -5.258 1.00 0.00 H new ATOM 0 HD2 LYS A 53 15.068 -10.769 -3.088 1.00 0.00 H new ATOM 0 HD3 LYS A 53 13.360 -10.668 -2.709 1.00 0.00 H new ATOM 0 HE2 LYS A 53 14.587 -12.267 -4.995 1.00 0.00 H new ATOM 0 HE3 LYS A 53 13.971 -12.932 -3.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.348 -13.151 -5.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.763 -12.070 -4.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.372 -11.480 -5.544 1.00 0.00 H new ATOM 908 N ARG A 54 13.075 -5.660 -3.270 1.00 0.00 N ATOM 909 CA ARG A 54 13.031 -4.232 -2.975 1.00 0.00 C ATOM 910 C ARG A 54 11.605 -3.723 -3.112 1.00 0.00 C ATOM 911 O ARG A 54 11.377 -2.540 -3.335 1.00 0.00 O ATOM 912 CB ARG A 54 13.933 -3.462 -3.947 1.00 0.00 C ATOM 913 CG ARG A 54 15.416 -3.712 -3.762 1.00 0.00 C ATOM 914 CD ARG A 54 16.219 -3.119 -4.911 1.00 0.00 C ATOM 915 NE ARG A 54 17.655 -3.324 -4.742 1.00 0.00 N ATOM 916 CZ ARG A 54 18.376 -4.185 -5.456 1.00 0.00 C ATOM 917 NH1 ARG A 54 17.802 -4.906 -6.414 1.00 0.00 N ATOM 918 NH2 ARG A 54 19.677 -4.309 -5.224 1.00 0.00 N ATOM 0 H ARG A 54 13.263 -5.881 -4.248 1.00 0.00 H new ATOM 0 HA ARG A 54 13.383 -4.076 -1.955 1.00 0.00 H new ATOM 0 HB2 ARG A 54 13.657 -3.729 -4.967 1.00 0.00 H new ATOM 0 HB3 ARG A 54 13.741 -2.395 -3.833 1.00 0.00 H new ATOM 0 HG2 ARG A 54 15.747 -3.275 -2.820 1.00 0.00 H new ATOM 0 HG3 ARG A 54 15.602 -4.784 -3.699 1.00 0.00 H new ATOM 0 HD2 ARG A 54 15.897 -3.571 -5.849 1.00 0.00 H new ATOM 0 HD3 ARG A 54 16.012 -2.051 -4.984 1.00 0.00 H new ATOM 0 HE ARG A 54 18.136 -2.772 -4.032 1.00 0.00 H new ATOM 0 HH11 ARG A 54 16.805 -4.800 -6.604 1.00 0.00 H new ATOM 0 HH12 ARG A 54 18.358 -5.565 -6.959 1.00 0.00 H new ATOM 0 HH21 ARG A 54 20.122 -3.745 -4.500 1.00 0.00 H new ATOM 0 HH22 ARG A 54 20.232 -4.968 -5.770 1.00 0.00 H new ATOM 932 N PHE A 55 10.638 -4.621 -2.974 1.00 0.00 N ATOM 933 CA PHE A 55 9.261 -4.290 -3.306 1.00 0.00 C ATOM 934 C PHE A 55 8.271 -4.937 -2.350 1.00 0.00 C ATOM 935 O PHE A 55 8.377 -6.122 -2.048 1.00 0.00 O ATOM 936 CB PHE A 55 8.938 -4.755 -4.730 1.00 0.00 C ATOM 937 CG PHE A 55 9.952 -4.346 -5.759 1.00 0.00 C ATOM 938 CD1 PHE A 55 9.964 -3.058 -6.266 1.00 0.00 C ATOM 939 CD2 PHE A 55 10.896 -5.253 -6.213 1.00 0.00 C ATOM 940 CE1 PHE A 55 10.900 -2.682 -7.206 1.00 0.00 C ATOM 941 CE2 PHE A 55 11.835 -4.881 -7.154 1.00 0.00 C ATOM 942 CZ PHE A 55 11.836 -3.593 -7.651 1.00 0.00 C ATOM 0 H PHE A 55 10.780 -5.574 -2.638 1.00 0.00 H new ATOM 0 HA PHE A 55 9.165 -3.207 -3.224 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.852 -5.842 -4.734 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.965 -4.357 -5.018 1.00 0.00 H new ATOM 0 HD1 PHE A 55 9.233 -2.341 -5.922 1.00 0.00 H new ATOM 0 HD2 PHE A 55 10.897 -6.262 -5.827 1.00 0.00 H new ATOM 0 HE1 PHE A 55 10.901 -1.674 -7.594 1.00 0.00 H new ATOM 0 HE2 PHE A 55 12.567 -5.596 -7.500 1.00 0.00 H new ATOM 0 HZ PHE A 55 12.569 -3.299 -8.388 1.00 0.00 H new ATOM 952 N TYR A 56 7.333 -4.138 -1.869 1.00 0.00 N ATOM 953 CA TYR A 56 6.146 -4.630 -1.187 1.00 0.00 C ATOM 954 C TYR A 56 4.974 -4.582 -2.152 1.00 0.00 C ATOM 955 O TYR A 56 4.935 -3.730 -3.039 1.00 0.00 O ATOM 956 CB TYR A 56 5.801 -3.775 0.039 1.00 0.00 C ATOM 957 CG TYR A 56 6.616 -4.067 1.276 1.00 0.00 C ATOM 958 CD1 TYR A 56 6.564 -5.313 1.882 1.00 0.00 C ATOM 959 CD2 TYR A 56 7.413 -3.089 1.854 1.00 0.00 C ATOM 960 CE1 TYR A 56 7.287 -5.581 3.028 1.00 0.00 C ATOM 961 CE2 TYR A 56 8.143 -3.348 3.000 1.00 0.00 C ATOM 962 CZ TYR A 56 8.075 -4.596 3.583 1.00 0.00 C ATOM 963 OH TYR A 56 8.798 -4.859 4.726 1.00 0.00 O ATOM 0 H TYR A 56 7.374 -3.121 -1.941 1.00 0.00 H new ATOM 0 HA TYR A 56 6.344 -5.648 -0.852 1.00 0.00 H new ATOM 0 HB2 TYR A 56 5.930 -2.725 -0.222 1.00 0.00 H new ATOM 0 HB3 TYR A 56 4.747 -3.917 0.276 1.00 0.00 H new ATOM 0 HD1 TYR A 56 5.947 -6.088 1.450 1.00 0.00 H new ATOM 0 HD2 TYR A 56 7.464 -2.110 1.402 1.00 0.00 H new ATOM 0 HE1 TYR A 56 7.235 -6.557 3.487 1.00 0.00 H new ATOM 0 HE2 TYR A 56 8.762 -2.578 3.435 1.00 0.00 H new ATOM 0 HH TYR A 56 9.039 -5.809 4.749 1.00 0.00 H new ATOM 973 N TYR A 57 4.030 -5.487 -1.988 1.00 0.00 N ATOM 974 CA TYR A 57 2.841 -5.504 -2.823 1.00 0.00 C ATOM 975 C TYR A 57 1.603 -5.692 -1.964 1.00 0.00 C ATOM 976 O TYR A 57 1.273 -6.810 -1.568 1.00 0.00 O ATOM 977 CB TYR A 57 2.935 -6.613 -3.878 1.00 0.00 C ATOM 978 CG TYR A 57 4.073 -6.414 -4.851 1.00 0.00 C ATOM 979 CD1 TYR A 57 3.963 -5.508 -5.899 1.00 0.00 C ATOM 980 CD2 TYR A 57 5.263 -7.116 -4.712 1.00 0.00 C ATOM 981 CE1 TYR A 57 5.006 -5.309 -6.779 1.00 0.00 C ATOM 982 CE2 TYR A 57 6.310 -6.924 -5.591 1.00 0.00 C ATOM 983 CZ TYR A 57 6.177 -6.017 -6.622 1.00 0.00 C ATOM 984 OH TYR A 57 7.221 -5.807 -7.492 1.00 0.00 O ATOM 0 H TYR A 57 4.062 -6.223 -1.283 1.00 0.00 H new ATOM 0 HA TYR A 57 2.767 -4.548 -3.341 1.00 0.00 H new ATOM 0 HB2 TYR A 57 3.058 -7.573 -3.377 1.00 0.00 H new ATOM 0 HB3 TYR A 57 1.997 -6.660 -4.431 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.046 -4.951 -6.026 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.371 -7.824 -3.903 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.905 -4.601 -7.588 1.00 0.00 H new ATOM 0 HE2 TYR A 57 7.228 -7.481 -5.472 1.00 0.00 H new ATOM 0 HH TYR A 57 7.974 -6.383 -7.244 1.00 0.00 H new ATOM 994 N VAL A 58 0.942 -4.589 -1.646 1.00 0.00 N ATOM 995 CA VAL A 58 -0.252 -4.635 -0.822 1.00 0.00 C ATOM 996 C VAL A 58 -1.501 -4.420 -1.666 1.00 0.00 C ATOM 997 O VAL A 58 -1.865 -3.285 -1.978 1.00 0.00 O ATOM 998 CB VAL A 58 -0.219 -3.583 0.308 1.00 0.00 C ATOM 999 CG1 VAL A 58 -1.343 -3.841 1.293 1.00 0.00 C ATOM 1000 CG2 VAL A 58 1.132 -3.584 1.006 1.00 0.00 C ATOM 0 H VAL A 58 1.214 -3.653 -1.947 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.280 -5.626 -0.369 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.365 -2.595 -0.129 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.311 -3.094 2.086 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.301 -3.781 0.776 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.226 -4.834 1.726 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.133 -2.835 1.798 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.319 -4.568 1.436 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.915 -3.349 0.284 1.00 0.00 H new ATOM 1010 N SER A 59 -2.136 -5.511 -2.056 1.00 0.00 N ATOM 1011 CA SER A 59 -3.376 -5.444 -2.815 1.00 0.00 C ATOM 1012 C SER A 59 -4.515 -5.075 -1.872 1.00 0.00 C ATOM 1013 O SER A 59 -4.701 -5.721 -0.841 1.00 0.00 O ATOM 1014 CB SER A 59 -3.652 -6.790 -3.484 1.00 0.00 C ATOM 1015 OG SER A 59 -4.701 -6.706 -4.433 1.00 0.00 O ATOM 0 H SER A 59 -1.813 -6.458 -1.860 1.00 0.00 H new ATOM 0 HA SER A 59 -3.292 -4.685 -3.593 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.746 -7.143 -3.976 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.909 -7.527 -2.723 1.00 0.00 H new ATOM 0 HG SER A 59 -4.846 -7.586 -4.840 1.00 0.00 H new ATOM 1021 N VAL A 60 -5.261 -4.033 -2.210 1.00 0.00 N ATOM 1022 CA VAL A 60 -6.298 -3.526 -1.324 1.00 0.00 C ATOM 1023 C VAL A 60 -7.591 -3.216 -2.067 1.00 0.00 C ATOM 1024 O VAL A 60 -7.587 -2.883 -3.257 1.00 0.00 O ATOM 1025 CB VAL A 60 -5.841 -2.249 -0.583 1.00 0.00 C ATOM 1026 CG1 VAL A 60 -4.665 -2.554 0.326 1.00 0.00 C ATOM 1027 CG2 VAL A 60 -5.490 -1.150 -1.574 1.00 0.00 C ATOM 0 H VAL A 60 -5.168 -3.524 -3.089 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.484 -4.322 -0.603 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.666 -1.895 0.035 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.356 -1.643 0.840 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.958 -3.304 1.061 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.834 -2.934 -0.269 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.171 -0.260 -1.032 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.682 -1.489 -2.222 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.365 -0.912 -2.179 1.00 0.00 H new ATOM 1037 N ASP A 61 -8.689 -3.342 -1.343 1.00 0.00 N ATOM 1038 CA ASP A 61 -10.001 -2.955 -1.834 1.00 0.00 C ATOM 1039 C ASP A 61 -10.351 -1.583 -1.287 1.00 0.00 C ATOM 1040 O ASP A 61 -10.339 -1.363 -0.071 1.00 0.00 O ATOM 1041 CB ASP A 61 -11.047 -3.990 -1.408 1.00 0.00 C ATOM 1042 CG ASP A 61 -12.458 -3.604 -1.802 1.00 0.00 C ATOM 1043 OD1 ASP A 61 -12.893 -3.980 -2.909 1.00 0.00 O ATOM 1044 OD2 ASP A 61 -13.146 -2.942 -1.002 1.00 0.00 O ATOM 0 H ASP A 61 -8.696 -3.717 -0.394 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.989 -2.913 -2.923 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.801 -4.952 -1.857 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.001 -4.121 -0.327 1.00 0.00 H new ATOM 1049 N ALA A 62 -10.647 -0.657 -2.181 1.00 0.00 N ATOM 1050 CA ALA A 62 -10.826 0.732 -1.798 1.00 0.00 C ATOM 1051 C ALA A 62 -12.206 1.251 -2.175 1.00 0.00 C ATOM 1052 O ALA A 62 -12.500 2.435 -2.004 1.00 0.00 O ATOM 1053 CB ALA A 62 -9.746 1.576 -2.444 1.00 0.00 C ATOM 0 H ALA A 62 -10.769 -0.841 -3.177 1.00 0.00 H new ATOM 0 HA ALA A 62 -10.744 0.800 -0.713 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.879 2.619 -2.157 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.767 1.231 -2.112 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.814 1.486 -3.528 1.00 0.00 H new ATOM 1059 N GLY A 63 -13.046 0.367 -2.682 1.00 0.00 N ATOM 1060 CA GLY A 63 -14.367 0.754 -3.094 1.00 0.00 C ATOM 1061 C GLY A 63 -15.068 -0.380 -3.790 1.00 0.00 C ATOM 1062 O GLY A 63 -14.536 -1.488 -3.862 1.00 0.00 O ATOM 0 H GLY A 63 -12.830 -0.621 -2.815 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -14.946 1.066 -2.225 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -14.306 1.613 -3.762 1.00 0.00 H new ATOM 1066 N ASP A 64 -16.243 -0.104 -4.320 1.00 0.00 N ATOM 1067 CA ASP A 64 -17.057 -1.126 -4.970 1.00 0.00 C ATOM 1068 C ASP A 64 -16.319 -1.727 -6.163 1.00 0.00 C ATOM 1069 O ASP A 64 -16.409 -2.929 -6.427 1.00 0.00 O ATOM 1070 CB ASP A 64 -18.395 -0.538 -5.421 1.00 0.00 C ATOM 1071 CG ASP A 64 -19.354 -1.599 -5.917 1.00 0.00 C ATOM 1072 OD1 ASP A 64 -20.033 -2.226 -5.079 1.00 0.00 O ATOM 1073 OD2 ASP A 64 -19.442 -1.807 -7.144 1.00 0.00 O ATOM 0 H ASP A 64 -16.663 0.826 -4.316 1.00 0.00 H new ATOM 0 HA ASP A 64 -17.248 -1.918 -4.246 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -18.851 -0.000 -4.590 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -18.220 0.189 -6.214 1.00 0.00 H new ATOM 1078 N GLY A 65 -15.579 -0.885 -6.866 1.00 0.00 N ATOM 1079 CA GLY A 65 -14.789 -1.347 -7.987 1.00 0.00 C ATOM 1080 C GLY A 65 -13.330 -0.973 -7.837 1.00 0.00 C ATOM 1081 O GLY A 65 -12.486 -1.384 -8.635 1.00 0.00 O ATOM 0 H GLY A 65 -15.511 0.115 -6.679 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -14.880 -2.430 -8.074 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.181 -0.919 -8.909 1.00 0.00 H new ATOM 1085 N GLU A 66 -13.032 -0.190 -6.807 1.00 0.00 N ATOM 1086 CA GLU A 66 -11.683 0.268 -6.565 1.00 0.00 C ATOM 1087 C GLU A 66 -10.820 -0.845 -5.994 1.00 0.00 C ATOM 1088 O GLU A 66 -11.097 -1.383 -4.922 1.00 0.00 O ATOM 1089 CB GLU A 66 -11.676 1.472 -5.627 1.00 0.00 C ATOM 1090 CG GLU A 66 -12.339 2.706 -6.211 1.00 0.00 C ATOM 1091 CD GLU A 66 -13.824 2.785 -5.904 1.00 0.00 C ATOM 1092 OE1 GLU A 66 -14.227 3.674 -5.125 1.00 0.00 O ATOM 1093 OE2 GLU A 66 -14.594 1.953 -6.429 1.00 0.00 O ATOM 0 H GLU A 66 -13.716 0.139 -6.126 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.262 0.571 -7.524 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.183 1.202 -4.701 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.645 1.713 -5.368 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.845 3.596 -5.820 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.197 2.711 -7.292 1.00 0.00 H new ATOM 1100 N LYS A 67 -9.771 -1.170 -6.723 1.00 0.00 N ATOM 1101 CA LYS A 67 -8.856 -2.226 -6.338 1.00 0.00 C ATOM 1102 C LYS A 67 -7.446 -1.853 -6.758 1.00 0.00 C ATOM 1103 O LYS A 67 -7.167 -1.706 -7.946 1.00 0.00 O ATOM 1104 CB LYS A 67 -9.264 -3.554 -6.975 1.00 0.00 C ATOM 1105 CG LYS A 67 -8.306 -4.697 -6.676 1.00 0.00 C ATOM 1106 CD LYS A 67 -8.696 -5.988 -7.391 1.00 0.00 C ATOM 1107 CE LYS A 67 -8.633 -5.858 -8.909 1.00 0.00 C ATOM 1108 NZ LYS A 67 -9.871 -5.261 -9.483 1.00 0.00 N ATOM 0 H LYS A 67 -9.529 -0.709 -7.600 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.891 -2.345 -5.255 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -10.259 -3.825 -6.623 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.333 -3.423 -8.055 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.298 -4.410 -6.975 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.281 -4.874 -5.601 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.033 -6.791 -7.071 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.706 -6.272 -7.096 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.776 -5.242 -9.182 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.471 -6.842 -9.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.231 -5.872 -10.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.592 -5.174 -8.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.656 -4.319 -9.868 1.00 0.00 H new ATOM 1122 N CYS A 68 -6.569 -1.700 -5.789 1.00 0.00 N ATOM 1123 CA CYS A 68 -5.215 -1.244 -6.059 1.00 0.00 C ATOM 1124 C CYS A 68 -4.204 -2.188 -5.437 1.00 0.00 C ATOM 1125 O CYS A 68 -4.534 -2.957 -4.542 1.00 0.00 O ATOM 1126 CB CYS A 68 -5.006 0.165 -5.491 1.00 0.00 C ATOM 1127 SG CYS A 68 -6.449 1.267 -5.631 1.00 0.00 S ATOM 0 H CYS A 68 -6.766 -1.884 -4.805 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.072 -1.225 -7.139 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.732 0.081 -4.439 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.163 0.627 -6.004 1.00 0.00 H new ATOM 1132 N LYS A 69 -2.981 -2.140 -5.929 1.00 0.00 N ATOM 1133 CA LYS A 69 -1.887 -2.875 -5.324 1.00 0.00 C ATOM 1134 C LYS A 69 -0.779 -1.900 -4.975 1.00 0.00 C ATOM 1135 O LYS A 69 -0.089 -1.390 -5.861 1.00 0.00 O ATOM 1136 CB LYS A 69 -1.355 -3.953 -6.270 1.00 0.00 C ATOM 1137 CG LYS A 69 -0.116 -4.650 -5.738 1.00 0.00 C ATOM 1138 CD LYS A 69 0.457 -5.644 -6.735 1.00 0.00 C ATOM 1139 CE LYS A 69 -0.552 -6.713 -7.118 1.00 0.00 C ATOM 1140 NZ LYS A 69 0.020 -7.685 -8.087 1.00 0.00 N ATOM 0 H LYS A 69 -2.719 -1.596 -6.751 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.249 -3.372 -4.424 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.136 -4.694 -6.443 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.125 -3.501 -7.235 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.641 -3.905 -5.494 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.363 -5.169 -4.812 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.780 -5.113 -7.631 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.341 -6.117 -6.308 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.880 -7.241 -6.223 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.434 -6.242 -7.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.728 -8.328 -8.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.418 -7.172 -8.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.771 -8.236 -7.624 1.00 0.00 H new ATOM 1154 N PHE A 70 -0.631 -1.614 -3.695 1.00 0.00 N ATOM 1155 CA PHE A 70 0.392 -0.694 -3.250 1.00 0.00 C ATOM 1156 C PHE A 70 1.758 -1.337 -3.339 1.00 0.00 C ATOM 1157 O PHE A 70 2.178 -2.097 -2.464 1.00 0.00 O ATOM 1158 CB PHE A 70 0.103 -0.182 -1.843 1.00 0.00 C ATOM 1159 CG PHE A 70 -0.963 0.872 -1.838 1.00 0.00 C ATOM 1160 CD1 PHE A 70 -2.275 0.555 -1.535 1.00 0.00 C ATOM 1161 CD2 PHE A 70 -0.650 2.182 -2.162 1.00 0.00 C ATOM 1162 CE1 PHE A 70 -3.256 1.526 -1.555 1.00 0.00 C ATOM 1163 CE2 PHE A 70 -1.627 3.156 -2.180 1.00 0.00 C ATOM 1164 CZ PHE A 70 -2.933 2.828 -1.876 1.00 0.00 C ATOM 0 H PHE A 70 -1.206 -2.006 -2.949 1.00 0.00 H new ATOM 0 HA PHE A 70 0.385 0.171 -3.913 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.207 -1.014 -1.211 1.00 0.00 H new ATOM 0 HB3 PHE A 70 1.017 0.224 -1.410 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.534 -0.462 -1.280 1.00 0.00 H new ATOM 0 HD2 PHE A 70 0.370 2.444 -2.403 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.277 1.266 -1.319 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.370 4.174 -2.432 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.700 3.589 -1.889 1.00 0.00 H new ATOM 1174 N LYS A 71 2.417 -1.044 -4.439 1.00 0.00 N ATOM 1175 CA LYS A 71 3.745 -1.535 -4.711 1.00 0.00 C ATOM 1176 C LYS A 71 4.763 -0.645 -4.014 1.00 0.00 C ATOM 1177 O LYS A 71 5.356 0.262 -4.598 1.00 0.00 O ATOM 1178 CB LYS A 71 3.950 -1.580 -6.226 1.00 0.00 C ATOM 1179 CG LYS A 71 5.383 -1.745 -6.688 1.00 0.00 C ATOM 1180 CD LYS A 71 5.439 -1.727 -8.205 1.00 0.00 C ATOM 1181 CE LYS A 71 6.871 -1.787 -8.714 1.00 0.00 C ATOM 1182 NZ LYS A 71 7.510 -3.103 -8.440 1.00 0.00 N ATOM 0 H LYS A 71 2.038 -0.450 -5.177 1.00 0.00 H new ATOM 0 HA LYS A 71 3.878 -2.545 -4.324 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.360 -2.402 -6.630 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.552 -0.661 -6.656 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.000 -0.943 -6.283 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.791 -2.683 -6.311 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.876 -2.573 -8.600 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.958 -0.822 -8.577 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.882 -1.596 -9.787 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.455 -0.996 -8.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.420 -2.954 -7.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.886 -3.672 -7.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.671 -3.604 -9.337 1.00 0.00 H new ATOM 1196 N ILE A 72 4.918 -0.879 -2.736 1.00 0.00 N ATOM 1197 CA ILE A 72 5.813 -0.091 -1.927 1.00 0.00 C ATOM 1198 C ILE A 72 7.244 -0.498 -2.217 1.00 0.00 C ATOM 1199 O ILE A 72 7.694 -1.552 -1.790 1.00 0.00 O ATOM 1200 CB ILE A 72 5.483 -0.265 -0.434 1.00 0.00 C ATOM 1201 CG1 ILE A 72 4.045 0.189 -0.184 1.00 0.00 C ATOM 1202 CG2 ILE A 72 6.452 0.522 0.437 1.00 0.00 C ATOM 1203 CD1 ILE A 72 3.428 -0.396 1.067 1.00 0.00 C ATOM 0 H ILE A 72 4.430 -1.617 -2.229 1.00 0.00 H new ATOM 0 HA ILE A 72 5.690 0.963 -2.174 1.00 0.00 H new ATOM 0 HB ILE A 72 5.585 -1.317 -0.168 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.024 1.277 -0.113 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.433 -0.086 -1.043 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.195 0.381 1.487 1.00 0.00 H new ATOM 0 HG22 ILE A 72 7.468 0.169 0.261 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.388 1.581 0.187 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.408 -0.027 1.176 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.415 -1.483 0.992 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.016 -0.099 1.936 1.00 0.00 H new ATOM 1215 N ARG A 73 7.955 0.344 -2.952 1.00 0.00 N ATOM 1216 CA ARG A 73 9.309 0.022 -3.391 1.00 0.00 C ATOM 1217 C ARG A 73 10.282 0.137 -2.223 1.00 0.00 C ATOM 1218 O ARG A 73 11.497 0.067 -2.388 1.00 0.00 O ATOM 1219 CB ARG A 73 9.716 0.942 -4.542 1.00 0.00 C ATOM 1220 CG ARG A 73 10.847 0.385 -5.395 1.00 0.00 C ATOM 1221 CD ARG A 73 10.994 1.151 -6.698 1.00 0.00 C ATOM 1222 NE ARG A 73 12.047 0.599 -7.545 1.00 0.00 N ATOM 1223 CZ ARG A 73 13.273 1.109 -7.643 1.00 0.00 C ATOM 1224 NH1 ARG A 73 13.608 2.185 -6.939 1.00 0.00 N ATOM 1225 NH2 ARG A 73 14.161 0.542 -8.450 1.00 0.00 N ATOM 0 H ARG A 73 7.618 1.257 -3.258 1.00 0.00 H new ATOM 0 HA ARG A 73 9.336 -1.007 -3.751 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.848 1.122 -5.176 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.020 1.907 -4.135 1.00 0.00 H new ATOM 0 HG2 ARG A 73 11.782 0.433 -4.837 1.00 0.00 H new ATOM 0 HG3 ARG A 73 10.657 -0.667 -5.610 1.00 0.00 H new ATOM 0 HD2 ARG A 73 10.047 1.131 -7.238 1.00 0.00 H new ATOM 0 HD3 ARG A 73 11.215 2.196 -6.481 1.00 0.00 H new ATOM 0 HE ARG A 73 11.830 -0.231 -8.097 1.00 0.00 H new ATOM 0 HH11 ARG A 73 12.925 2.623 -6.321 1.00 0.00 H new ATOM 0 HH12 ARG A 73 14.548 2.573 -7.017 1.00 0.00 H new ATOM 0 HH21 ARG A 73 13.903 -0.282 -8.993 1.00 0.00 H new ATOM 0 HH22 ARG A 73 15.101 0.930 -8.527 1.00 0.00 H new ATOM 1239 N LYS A 74 9.701 0.295 -1.041 1.00 0.00 N ATOM 1240 CA LYS A 74 10.433 0.358 0.216 1.00 0.00 C ATOM 1241 C LYS A 74 11.356 1.569 0.264 1.00 0.00 C ATOM 1242 O LYS A 74 11.454 2.338 -0.694 1.00 0.00 O ATOM 1243 CB LYS A 74 11.233 -0.931 0.444 1.00 0.00 C ATOM 1244 CG LYS A 74 10.384 -2.196 0.449 1.00 0.00 C ATOM 1245 CD LYS A 74 11.222 -3.438 0.733 1.00 0.00 C ATOM 1246 CE LYS A 74 10.375 -4.704 0.711 1.00 0.00 C ATOM 1247 NZ LYS A 74 11.158 -5.909 1.096 1.00 0.00 N ATOM 0 H LYS A 74 8.691 0.384 -0.927 1.00 0.00 H new ATOM 0 HA LYS A 74 9.701 0.462 1.017 1.00 0.00 H new ATOM 0 HB2 LYS A 74 11.991 -1.018 -0.334 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.760 -0.856 1.395 1.00 0.00 H new ATOM 0 HG2 LYS A 74 9.601 -2.106 1.202 1.00 0.00 H new ATOM 0 HG3 LYS A 74 9.888 -2.305 -0.515 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.017 -3.519 -0.009 1.00 0.00 H new ATOM 0 HD3 LYS A 74 11.703 -3.338 1.706 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.532 -4.587 1.392 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.961 -4.845 -0.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.511 -6.709 1.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 11.828 -6.145 0.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 11.683 -5.716 1.973 1.00 0.00 H new ATOM 1261 N ASP A 75 12.015 1.738 1.396 1.00 0.00 N ATOM 1262 CA ASP A 75 12.967 2.821 1.576 1.00 0.00 C ATOM 1263 C ASP A 75 14.304 2.449 0.944 1.00 0.00 C ATOM 1264 O ASP A 75 15.313 2.255 1.629 1.00 0.00 O ATOM 1265 CB ASP A 75 13.144 3.125 3.066 1.00 0.00 C ATOM 1266 CG ASP A 75 13.689 4.514 3.341 1.00 0.00 C ATOM 1267 OD1 ASP A 75 14.701 4.905 2.723 1.00 0.00 O ATOM 1268 OD2 ASP A 75 13.114 5.210 4.205 1.00 0.00 O ATOM 0 H ASP A 75 11.907 1.134 2.211 1.00 0.00 H new ATOM 0 HA ASP A 75 12.585 3.716 1.084 1.00 0.00 H new ATOM 0 HB2 ASP A 75 12.183 3.015 3.568 1.00 0.00 H new ATOM 0 HB3 ASP A 75 13.817 2.387 3.502 1.00 0.00 H new ATOM 1273 N VAL A 76 14.288 2.290 -0.368 1.00 0.00 N ATOM 1274 CA VAL A 76 15.499 2.031 -1.121 1.00 0.00 C ATOM 1275 C VAL A 76 16.161 3.353 -1.467 1.00 0.00 C ATOM 1276 O VAL A 76 15.877 3.938 -2.517 1.00 0.00 O ATOM 1277 CB VAL A 76 15.226 1.218 -2.415 1.00 0.00 C ATOM 1278 CG1 VAL A 76 14.986 -0.244 -2.091 1.00 0.00 C ATOM 1279 CG2 VAL A 76 14.049 1.786 -3.200 1.00 0.00 C ATOM 0 H VAL A 76 13.442 2.337 -0.936 1.00 0.00 H new ATOM 0 HA VAL A 76 16.160 1.427 -0.499 1.00 0.00 H new ATOM 0 HB VAL A 76 16.114 1.298 -3.042 1.00 0.00 H new ATOM 0 HG11 VAL A 76 14.797 -0.795 -3.012 1.00 0.00 H new ATOM 0 HG12 VAL A 76 15.865 -0.656 -1.596 1.00 0.00 H new ATOM 0 HG13 VAL A 76 14.123 -0.334 -1.431 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.889 1.190 -4.099 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.152 1.758 -2.582 1.00 0.00 H new ATOM 0 HG23 VAL A 76 14.263 2.817 -3.482 1.00 0.00 H new ATOM 1289 N ASP A 77 17.002 3.853 -0.552 1.00 0.00 N ATOM 1290 CA ASP A 77 17.617 5.183 -0.692 1.00 0.00 C ATOM 1291 C ASP A 77 16.576 6.259 -0.395 1.00 0.00 C ATOM 1292 O ASP A 77 16.789 7.138 0.443 1.00 0.00 O ATOM 1293 CB ASP A 77 18.210 5.411 -2.094 1.00 0.00 C ATOM 1294 CG ASP A 77 19.387 4.510 -2.414 1.00 0.00 C ATOM 1295 OD1 ASP A 77 19.167 3.338 -2.791 1.00 0.00 O ATOM 1296 OD2 ASP A 77 20.539 4.983 -2.322 1.00 0.00 O ATOM 0 H ASP A 77 17.274 3.356 0.296 1.00 0.00 H new ATOM 0 HA ASP A 77 18.438 5.241 0.022 1.00 0.00 H new ATOM 0 HB2 ASP A 77 17.430 5.252 -2.839 1.00 0.00 H new ATOM 0 HB3 ASP A 77 18.526 6.451 -2.180 1.00 0.00 H new ATOM 1301 N VAL A 78 15.453 6.176 -1.092 1.00 0.00 N ATOM 1302 CA VAL A 78 14.301 7.009 -0.811 1.00 0.00 C ATOM 1303 C VAL A 78 13.156 6.121 -0.334 1.00 0.00 C ATOM 1304 O VAL A 78 12.913 5.048 -0.890 1.00 0.00 O ATOM 1305 CB VAL A 78 13.852 7.831 -2.047 1.00 0.00 C ATOM 1306 CG1 VAL A 78 13.402 6.914 -3.168 1.00 0.00 C ATOM 1307 CG2 VAL A 78 12.733 8.803 -1.693 1.00 0.00 C ATOM 0 H VAL A 78 15.318 5.528 -1.868 1.00 0.00 H new ATOM 0 HA VAL A 78 14.581 7.724 -0.037 1.00 0.00 H new ATOM 0 HB VAL A 78 14.713 8.408 -2.384 1.00 0.00 H new ATOM 0 HG11 VAL A 78 13.091 7.512 -4.025 1.00 0.00 H new ATOM 0 HG12 VAL A 78 14.227 6.264 -3.459 1.00 0.00 H new ATOM 0 HG13 VAL A 78 12.564 6.306 -2.827 1.00 0.00 H new ATOM 0 HG21 VAL A 78 12.443 9.363 -2.582 1.00 0.00 H new ATOM 0 HG22 VAL A 78 11.874 8.247 -1.317 1.00 0.00 H new ATOM 0 HG23 VAL A 78 13.081 9.495 -0.926 1.00 0.00 H new ATOM 1317 N PRO A 79 12.471 6.546 0.719 1.00 0.00 N ATOM 1318 CA PRO A 79 11.364 5.799 1.301 1.00 0.00 C ATOM 1319 C PRO A 79 10.170 5.685 0.366 1.00 0.00 C ATOM 1320 O PRO A 79 9.664 4.593 0.124 1.00 0.00 O ATOM 1321 CB PRO A 79 10.983 6.626 2.532 1.00 0.00 C ATOM 1322 CG PRO A 79 11.538 7.980 2.293 1.00 0.00 C ATOM 1323 CD PRO A 79 12.744 7.789 1.434 1.00 0.00 C ATOM 0 HA PRO A 79 11.652 4.771 1.522 1.00 0.00 H new ATOM 0 HB2 PRO A 79 9.901 6.663 2.659 1.00 0.00 H new ATOM 0 HB3 PRO A 79 11.396 6.188 3.441 1.00 0.00 H new ATOM 0 HG2 PRO A 79 10.806 8.619 1.800 1.00 0.00 H new ATOM 0 HG3 PRO A 79 11.802 8.464 3.233 1.00 0.00 H new ATOM 0 HD2 PRO A 79 12.881 8.624 0.747 1.00 0.00 H new ATOM 0 HD3 PRO A 79 13.653 7.715 2.031 1.00 0.00 H new ATOM 1331 N LYS A 80 9.747 6.830 -0.163 1.00 0.00 N ATOM 1332 CA LYS A 80 8.493 6.947 -0.903 1.00 0.00 C ATOM 1333 C LYS A 80 8.297 5.842 -1.934 1.00 0.00 C ATOM 1334 O LYS A 80 9.170 5.568 -2.759 1.00 0.00 O ATOM 1335 CB LYS A 80 8.384 8.326 -1.548 1.00 0.00 C ATOM 1336 CG LYS A 80 7.892 9.387 -0.574 1.00 0.00 C ATOM 1337 CD LYS A 80 7.992 10.789 -1.150 1.00 0.00 C ATOM 1338 CE LYS A 80 9.433 11.269 -1.206 1.00 0.00 C ATOM 1339 NZ LYS A 80 9.530 12.665 -1.702 1.00 0.00 N ATOM 0 H LYS A 80 10.265 7.705 -0.091 1.00 0.00 H new ATOM 0 HA LYS A 80 7.688 6.827 -0.178 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.359 8.619 -1.938 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.703 8.274 -2.398 1.00 0.00 H new ATOM 0 HG2 LYS A 80 6.856 9.179 -0.307 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.475 9.332 0.345 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.564 10.803 -2.152 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.402 11.476 -0.542 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.876 11.205 -0.212 1.00 0.00 H new ATOM 0 HE3 LYS A 80 10.010 10.611 -1.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 10.528 12.956 -1.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 9.130 12.722 -2.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 9.000 13.296 -1.068 1.00 0.00 H new ATOM 1353 N MET A 81 7.122 5.221 -1.852 1.00 0.00 N ATOM 1354 CA MET A 81 6.762 4.069 -2.671 1.00 0.00 C ATOM 1355 C MET A 81 6.831 4.388 -4.167 1.00 0.00 C ATOM 1356 O MET A 81 6.781 5.552 -4.574 1.00 0.00 O ATOM 1357 CB MET A 81 5.351 3.580 -2.292 1.00 0.00 C ATOM 1358 CG MET A 81 4.269 3.876 -3.327 1.00 0.00 C ATOM 1359 SD MET A 81 3.867 5.634 -3.480 1.00 0.00 S ATOM 1360 CE MET A 81 3.201 5.983 -1.856 1.00 0.00 C ATOM 0 H MET A 81 6.386 5.508 -1.207 1.00 0.00 H new ATOM 0 HA MET A 81 7.486 3.279 -2.474 1.00 0.00 H new ATOM 0 HB2 MET A 81 5.388 2.504 -2.124 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.065 4.040 -1.346 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.595 3.502 -4.297 1.00 0.00 H new ATOM 0 HG3 MET A 81 3.365 3.328 -3.061 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.597 6.889 -1.898 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.581 5.148 -1.530 1.00 0.00 H new ATOM 0 HE3 MET A 81 4.019 6.125 -1.150 1.00 0.00 H new ATOM 1370 N VAL A 82 6.940 3.346 -4.975 1.00 0.00 N ATOM 1371 CA VAL A 82 6.952 3.509 -6.425 1.00 0.00 C ATOM 1372 C VAL A 82 5.608 3.112 -7.019 1.00 0.00 C ATOM 1373 O VAL A 82 5.203 3.612 -8.066 1.00 0.00 O ATOM 1374 CB VAL A 82 8.051 2.654 -7.095 1.00 0.00 C ATOM 1375 CG1 VAL A 82 7.622 1.190 -7.214 1.00 0.00 C ATOM 1376 CG2 VAL A 82 8.415 3.225 -8.456 1.00 0.00 C ATOM 0 H VAL A 82 7.021 2.381 -4.656 1.00 0.00 H new ATOM 0 HA VAL A 82 7.157 4.562 -6.618 1.00 0.00 H new ATOM 0 HB VAL A 82 8.936 2.687 -6.460 1.00 0.00 H new ATOM 0 HG11 VAL A 82 8.417 0.615 -7.689 1.00 0.00 H new ATOM 0 HG12 VAL A 82 7.427 0.786 -6.221 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.716 1.124 -7.817 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.190 2.610 -8.913 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.533 3.231 -9.096 1.00 0.00 H new ATOM 0 HG23 VAL A 82 8.783 4.244 -8.336 1.00 0.00 H new ATOM 1386 N GLY A 83 4.925 2.209 -6.338 1.00 0.00 N ATOM 1387 CA GLY A 83 3.741 1.610 -6.891 1.00 0.00 C ATOM 1388 C GLY A 83 2.510 1.882 -6.073 1.00 0.00 C ATOM 1389 O GLY A 83 2.514 1.769 -4.848 1.00 0.00 O ATOM 0 H GLY A 83 5.175 1.881 -5.405 1.00 0.00 H new ATOM 0 HA2 GLY A 83 3.589 1.986 -7.903 1.00 0.00 H new ATOM 0 HA3 GLY A 83 3.888 0.533 -6.970 1.00 0.00 H new ATOM 1393 N ARG A 84 1.459 2.220 -6.772 1.00 0.00 N ATOM 1394 CA ARG A 84 0.197 2.604 -6.167 1.00 0.00 C ATOM 1395 C ARG A 84 -0.909 2.334 -7.161 1.00 0.00 C ATOM 1396 O ARG A 84 -2.018 2.855 -7.048 1.00 0.00 O ATOM 1397 CB ARG A 84 0.217 4.092 -5.806 1.00 0.00 C ATOM 1398 CG ARG A 84 0.749 4.975 -6.928 1.00 0.00 C ATOM 1399 CD ARG A 84 2.258 5.157 -6.831 1.00 0.00 C ATOM 1400 NE ARG A 84 2.835 5.716 -8.053 1.00 0.00 N ATOM 1401 CZ ARG A 84 3.612 6.798 -8.088 1.00 0.00 C ATOM 1402 NH1 ARG A 84 3.862 7.481 -6.978 1.00 0.00 N ATOM 1403 NH2 ARG A 84 4.137 7.195 -9.239 1.00 0.00 N ATOM 0 H ARG A 84 1.448 2.239 -7.792 1.00 0.00 H new ATOM 0 HA ARG A 84 0.033 2.030 -5.255 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.793 4.411 -5.550 1.00 0.00 H new ATOM 0 HB3 ARG A 84 0.831 4.235 -4.917 1.00 0.00 H new ATOM 0 HG2 ARG A 84 0.497 4.532 -7.891 1.00 0.00 H new ATOM 0 HG3 ARG A 84 0.261 5.949 -6.888 1.00 0.00 H new ATOM 0 HD2 ARG A 84 2.488 5.813 -5.991 1.00 0.00 H new ATOM 0 HD3 ARG A 84 2.724 4.194 -6.621 1.00 0.00 H new ATOM 0 HE ARG A 84 2.629 5.247 -8.935 1.00 0.00 H new ATOM 0 HH11 ARG A 84 3.459 7.179 -6.091 1.00 0.00 H new ATOM 0 HH12 ARG A 84 4.458 8.308 -7.012 1.00 0.00 H new ATOM 0 HH21 ARG A 84 3.946 6.673 -10.094 1.00 0.00 H new ATOM 0 HH22 ARG A 84 4.732 8.023 -9.269 1.00 0.00 H new ATOM 1417 N LYS A 85 -0.590 1.491 -8.125 1.00 0.00 N ATOM 1418 CA LYS A 85 -1.431 1.299 -9.285 1.00 0.00 C ATOM 1419 C LYS A 85 -2.699 0.547 -8.925 1.00 0.00 C ATOM 1420 O LYS A 85 -2.651 -0.599 -8.462 1.00 0.00 O ATOM 1421 CB LYS A 85 -0.668 0.545 -10.376 1.00 0.00 C ATOM 1422 CG LYS A 85 -0.830 1.170 -11.752 1.00 0.00 C ATOM 1423 CD LYS A 85 -0.053 0.416 -12.812 1.00 0.00 C ATOM 1424 CE LYS A 85 -0.259 1.033 -14.186 1.00 0.00 C ATOM 1425 NZ LYS A 85 -1.666 0.902 -14.651 1.00 0.00 N ATOM 0 H LYS A 85 0.257 0.923 -8.124 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.713 2.283 -9.661 1.00 0.00 H new ATOM 0 HB2 LYS A 85 0.391 0.516 -10.118 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -1.016 -0.487 -10.408 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -1.886 1.188 -12.020 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -0.491 2.206 -11.722 1.00 0.00 H new ATOM 0 HD2 LYS A 85 1.008 0.422 -12.563 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -0.371 -0.627 -12.827 1.00 0.00 H new ATOM 0 HE2 LYS A 85 0.016 2.087 -14.155 1.00 0.00 H new ATOM 0 HE3 LYS A 85 0.406 0.551 -14.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -1.719 1.130 -15.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -1.993 -0.073 -14.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -2.271 1.557 -14.116 1.00 0.00 H new ATOM 1439 N CYS A 86 -3.830 1.198 -9.116 1.00 0.00 N ATOM 1440 CA CYS A 86 -5.102 0.534 -8.966 1.00 0.00 C ATOM 1441 C CYS A 86 -5.445 -0.169 -10.255 1.00 0.00 C ATOM 1442 O CYS A 86 -5.723 0.464 -11.275 1.00 0.00 O ATOM 1443 CB CYS A 86 -6.215 1.511 -8.618 1.00 0.00 C ATOM 1444 SG CYS A 86 -5.918 2.518 -7.135 1.00 0.00 S ATOM 0 H CYS A 86 -3.890 2.183 -9.374 1.00 0.00 H new ATOM 0 HA CYS A 86 -5.015 -0.180 -8.147 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -6.371 2.178 -9.466 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -7.139 0.951 -8.479 1.00 0.00 H new ATOM 1449 N ARG A 87 -5.421 -1.475 -10.212 1.00 0.00 N ATOM 1450 CA ARG A 87 -5.739 -2.268 -11.379 1.00 0.00 C ATOM 1451 C ARG A 87 -7.239 -2.490 -11.445 1.00 0.00 C ATOM 1452 O ARG A 87 -7.746 -3.594 -11.247 1.00 0.00 O ATOM 1453 CB ARG A 87 -4.967 -3.589 -11.389 1.00 0.00 C ATOM 1454 CG ARG A 87 -4.965 -4.333 -10.068 1.00 0.00 C ATOM 1455 CD ARG A 87 -4.293 -5.681 -10.223 1.00 0.00 C ATOM 1456 NE ARG A 87 -5.040 -6.544 -11.144 1.00 0.00 N ATOM 1457 CZ ARG A 87 -4.784 -7.834 -11.348 1.00 0.00 C ATOM 1458 NH1 ARG A 87 -3.753 -8.413 -10.752 1.00 0.00 N ATOM 1459 NH2 ARG A 87 -5.552 -8.532 -12.172 1.00 0.00 N ATOM 0 H ARG A 87 -5.184 -2.017 -9.381 1.00 0.00 H new ATOM 0 HA ARG A 87 -5.428 -1.724 -12.271 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.393 -4.237 -12.155 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.936 -3.389 -11.679 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.444 -3.745 -9.313 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.988 -4.468 -9.718 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -3.277 -5.543 -10.593 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -4.215 -6.165 -9.250 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.811 -6.126 -11.665 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -3.151 -7.870 -10.133 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -3.561 -9.402 -10.912 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -6.334 -8.080 -12.646 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -5.361 -9.521 -12.333 1.00 0.00 H new ATOM 1473 N LYS A 88 -7.938 -1.393 -11.669 1.00 0.00 N ATOM 1474 CA LYS A 88 -9.382 -1.401 -11.771 1.00 0.00 C ATOM 1475 C LYS A 88 -9.784 -1.564 -13.227 1.00 0.00 C ATOM 1476 O LYS A 88 -10.836 -2.121 -13.540 1.00 0.00 O ATOM 1477 CB LYS A 88 -9.942 -0.102 -11.195 1.00 0.00 C ATOM 1478 CG LYS A 88 -9.573 0.120 -9.737 1.00 0.00 C ATOM 1479 CD LYS A 88 -10.131 1.433 -9.216 1.00 0.00 C ATOM 1480 CE LYS A 88 -9.541 2.627 -9.947 1.00 0.00 C ATOM 1481 NZ LYS A 88 -10.059 3.913 -9.416 1.00 0.00 N ATOM 0 H LYS A 88 -7.518 -0.471 -11.785 1.00 0.00 H new ATOM 0 HA LYS A 88 -9.790 -2.236 -11.201 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -9.576 0.737 -11.787 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -11.028 -0.109 -11.290 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -9.955 -0.704 -9.134 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -8.488 0.116 -9.630 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -11.215 1.437 -9.329 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -9.921 1.520 -8.150 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -8.455 2.608 -9.856 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -9.773 2.553 -11.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -9.632 4.703 -9.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -11.093 3.943 -9.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -9.815 3.996 -8.408 1.00 0.00 H new ATOM 1495 N ASP A 89 -8.928 -1.064 -14.108 1.00 0.00 N ATOM 1496 CA ASP A 89 -9.087 -1.257 -15.542 1.00 0.00 C ATOM 1497 C ASP A 89 -8.537 -2.628 -15.911 1.00 0.00 C ATOM 1498 O ASP A 89 -9.262 -3.501 -16.391 1.00 0.00 O ATOM 1499 CB ASP A 89 -8.325 -0.176 -16.317 1.00 0.00 C ATOM 1500 CG ASP A 89 -8.654 1.231 -15.859 1.00 0.00 C ATOM 1501 OD1 ASP A 89 -9.410 1.934 -16.562 1.00 0.00 O ATOM 1502 OD2 ASP A 89 -8.146 1.647 -14.796 1.00 0.00 O ATOM 0 H ASP A 89 -8.108 -0.516 -13.850 1.00 0.00 H new ATOM 0 HA ASP A 89 -10.144 -1.189 -15.801 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -7.254 -0.346 -16.207 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -8.555 -0.269 -17.378 1.00 0.00 H new ATOM 1507 N ASP A 90 -7.246 -2.797 -15.657 1.00 0.00 N ATOM 1508 CA ASP A 90 -6.553 -4.065 -15.844 1.00 0.00 C ATOM 1509 C ASP A 90 -5.188 -3.945 -15.175 1.00 0.00 C ATOM 1510 O ASP A 90 -4.911 -2.933 -14.529 1.00 0.00 O ATOM 1511 CB ASP A 90 -6.396 -4.392 -17.337 1.00 0.00 C ATOM 1512 CG ASP A 90 -6.268 -5.881 -17.614 1.00 0.00 C ATOM 1513 OD1 ASP A 90 -5.200 -6.467 -17.332 1.00 0.00 O ATOM 1514 OD2 ASP A 90 -7.238 -6.474 -18.130 1.00 0.00 O ATOM 0 H ASP A 90 -6.644 -2.050 -15.312 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.128 -4.876 -15.398 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -7.256 -4.001 -17.880 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.515 -3.880 -17.724 1.00 0.00 H new ATOM 1519 N ASP A 91 -4.340 -4.946 -15.327 1.00 0.00 N ATOM 1520 CA ASP A 91 -3.019 -4.925 -14.709 1.00 0.00 C ATOM 1521 C ASP A 91 -1.945 -5.090 -15.779 1.00 0.00 C ATOM 1522 O ASP A 91 -2.250 -5.399 -16.932 1.00 0.00 O ATOM 1523 CB ASP A 91 -2.906 -6.035 -13.657 1.00 0.00 C ATOM 1524 CG ASP A 91 -1.687 -5.890 -12.758 1.00 0.00 C ATOM 1525 OD1 ASP A 91 -1.045 -4.821 -12.777 1.00 0.00 O ATOM 1526 OD2 ASP A 91 -1.371 -6.847 -12.019 1.00 0.00 O ATOM 0 H ASP A 91 -4.539 -5.785 -15.872 1.00 0.00 H new ATOM 0 HA ASP A 91 -2.874 -3.966 -14.211 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.805 -6.035 -13.041 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -2.865 -7.001 -14.161 1.00 0.00 H new ATOM 1531 N ASP A 92 -0.698 -4.869 -15.402 1.00 0.00 N ATOM 1532 CA ASP A 92 0.416 -4.994 -16.330 1.00 0.00 C ATOM 1533 C ASP A 92 1.237 -6.236 -16.013 1.00 0.00 C ATOM 1534 O ASP A 92 1.054 -7.286 -16.632 1.00 0.00 O ATOM 1535 CB ASP A 92 1.308 -3.746 -16.280 1.00 0.00 C ATOM 1536 CG ASP A 92 2.534 -3.869 -17.170 1.00 0.00 C ATOM 1537 OD1 ASP A 92 2.379 -3.890 -18.407 1.00 0.00 O ATOM 1538 OD2 ASP A 92 3.660 -3.926 -16.635 1.00 0.00 O ATOM 0 H ASP A 92 -0.429 -4.601 -14.455 1.00 0.00 H new ATOM 0 HA ASP A 92 0.009 -5.089 -17.337 1.00 0.00 H new ATOM 0 HB2 ASP A 92 0.727 -2.876 -16.586 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.626 -3.572 -15.252 1.00 0.00 H new ATOM 1543 N ASP A 93 2.109 -6.113 -15.022 1.00 0.00 N ATOM 1544 CA ASP A 93 3.027 -7.181 -14.639 1.00 0.00 C ATOM 1545 C ASP A 93 3.877 -6.703 -13.476 1.00 0.00 C ATOM 1546 O ASP A 93 3.910 -7.314 -12.408 1.00 0.00 O ATOM 1547 CB ASP A 93 3.939 -7.556 -15.813 1.00 0.00 C ATOM 1548 CG ASP A 93 4.789 -8.780 -15.542 1.00 0.00 C ATOM 1549 OD1 ASP A 93 5.781 -8.676 -14.794 1.00 0.00 O ATOM 1550 OD2 ASP A 93 4.481 -9.852 -16.106 1.00 0.00 O ATOM 0 H ASP A 93 2.201 -5.268 -14.458 1.00 0.00 H new ATOM 0 HA ASP A 93 2.450 -8.060 -14.352 1.00 0.00 H new ATOM 0 HB2 ASP A 93 3.327 -7.735 -16.697 1.00 0.00 H new ATOM 0 HB3 ASP A 93 4.591 -6.713 -16.042 1.00 0.00 H new ATOM 1555 N ASP A 94 4.556 -5.590 -13.706 1.00 0.00 N ATOM 1556 CA ASP A 94 5.372 -4.947 -12.692 1.00 0.00 C ATOM 1557 C ASP A 94 5.509 -3.475 -13.044 1.00 0.00 C ATOM 1558 O ASP A 94 5.256 -3.087 -14.184 1.00 0.00 O ATOM 1559 CB ASP A 94 6.754 -5.601 -12.601 1.00 0.00 C ATOM 1560 CG ASP A 94 7.543 -5.135 -11.393 1.00 0.00 C ATOM 1561 OD1 ASP A 94 6.927 -4.608 -10.442 1.00 0.00 O ATOM 1562 OD2 ASP A 94 8.786 -5.293 -11.389 1.00 0.00 O ATOM 0 H ASP A 94 4.556 -5.107 -14.604 1.00 0.00 H new ATOM 0 HA ASP A 94 4.891 -5.057 -11.720 1.00 0.00 H new ATOM 0 HB2 ASP A 94 6.637 -6.684 -12.558 1.00 0.00 H new ATOM 0 HB3 ASP A 94 7.318 -5.377 -13.507 1.00 0.00 H new ATOM 1567 N GLY A 95 5.922 -2.666 -12.089 1.00 0.00 N ATOM 1568 CA GLY A 95 5.936 -1.236 -12.300 1.00 0.00 C ATOM 1569 C GLY A 95 4.549 -0.659 -12.141 1.00 0.00 C ATOM 1570 O GLY A 95 3.884 -0.325 -13.120 1.00 0.00 O ATOM 0 H GLY A 95 6.248 -2.971 -11.172 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.615 -0.765 -11.589 1.00 0.00 H new ATOM 0 HA3 GLY A 95 6.315 -1.014 -13.298 1.00 0.00 H new ATOM 1574 N TYR A 96 4.113 -0.558 -10.899 1.00 0.00 N ATOM 1575 CA TYR A 96 2.760 -0.118 -10.594 1.00 0.00 C ATOM 1576 C TYR A 96 2.719 1.391 -10.371 1.00 0.00 C ATOM 1577 O TYR A 96 2.157 1.827 -9.351 1.00 0.00 O ATOM 1578 CB TYR A 96 2.229 -0.852 -9.355 1.00 0.00 C ATOM 1579 CG TYR A 96 1.784 -2.283 -9.617 1.00 0.00 C ATOM 1580 CD1 TYR A 96 0.434 -2.632 -9.587 1.00 0.00 C ATOM 1581 CD2 TYR A 96 2.709 -3.284 -9.888 1.00 0.00 C ATOM 1582 CE1 TYR A 96 0.024 -3.928 -9.817 1.00 0.00 C ATOM 1583 CE2 TYR A 96 2.304 -4.585 -10.123 1.00 0.00 C ATOM 1584 CZ TYR A 96 0.962 -4.901 -10.087 1.00 0.00 C ATOM 1585 OH TYR A 96 0.558 -6.201 -10.306 1.00 0.00 O ATOM 1586 OXT TYR A 96 3.278 2.130 -11.208 1.00 0.00 O ATOM 0 H TYR A 96 4.679 -0.776 -10.079 1.00 0.00 H new ATOM 0 HA TYR A 96 2.122 -0.356 -11.445 1.00 0.00 H new ATOM 0 HB2 TYR A 96 3.006 -0.860 -8.591 1.00 0.00 H new ATOM 0 HB3 TYR A 96 1.388 -0.291 -8.948 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -0.305 -1.872 -9.380 1.00 0.00 H new ATOM 0 HD2 TYR A 96 3.761 -3.042 -9.916 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -1.026 -4.179 -9.786 1.00 0.00 H new ATOM 0 HE2 TYR A 96 3.036 -5.351 -10.334 1.00 0.00 H new ATOM 0 HH TYR A 96 -0.345 -6.203 -10.686 1.00 0.00 H new TER 1596 TYR A 96