USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 852 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 26 MET CE :methyl -125:sc= -2.98! (180deg=-2.87!) USER MOD Set 1.2: A 80 CYS SG : rot -51:sc= -0.169 USER MOD Set 1.3: A 88 THR OG1 : rot 75:sc= -1.23! USER MOD Set 2.1: A 81 ASN : amide:sc= -3.18! C(o=-2.4!,f=-17!) USER MOD Set 2.2: A 83 ASN : amide:sc= 0.785 K(o=-2.4,f=-3.9) USER MOD Set 3.1: A 27 SER OG : rot 92:sc= 0.426 USER MOD Set 3.2: A 61 THR OG1 : rot 95:sc= -0.19 USER MOD Set 4.1: A 59 LYS NZ :NH3+ 156:sc= 1.24 (180deg=-0.561) USER MOD Set 4.2: A 95 TYR OH : rot -36:sc= -0.0462 USER MOD Set 5.1: A 48 THR OG1 : rot 109:sc= 0.816 USER MOD Set 5.2: A 49 THR OG1 : rot 101:sc= 1.09 USER MOD Set 6.1: A 24 LYS NZ :NH3+ -173:sc= 1.14 (180deg=-0.00359) USER MOD Set 6.2: A 28 GLN : amide:sc= -2.52! C(o=-1.4!,f=-9.7!) USER MOD Single : A 10 THR OG1 : rot -31:sc= 0.454 USER MOD Single : A 11 SER OG : rot -89:sc= 1.23 USER MOD Single : A 12 SER OG : rot 180:sc= 0.139 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot -95:sc= 0.448 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 CYS SG : rot 66:sc= 0.953 USER MOD Single : A 35 ASN : amide:sc= 1.95 K(o=1.9,f=-5.7!) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.94 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot -90:sc= -3.23! USER MOD Single : A 43 LYS NZ :NH3+ 169:sc= -0.0629 (180deg=-0.412) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 149:sc= 1.28 (180deg=0.932) USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 65 MET CE :methyl -122:sc= 0 (180deg=-0.114) USER MOD Single : A 66 ASN : amide:sc= 1.15 K(o=1.2,f=0) USER MOD Single : A 67 LYS NZ :NH3+ -169:sc= -0.0133 (180deg=-0.128) USER MOD Single : A 70 LYS NZ :NH3+ -107:sc= -0.669 (180deg=-2.64!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 CYS SG : rot -108:sc= 1.27 USER MOD Single : A 73 LYS NZ :NH3+ -174:sc=-0.00517 (180deg=-0.0655) USER MOD Single : A 74 ASN : amide:sc=-0.00407 X(o=-0.0041,f=-0.12) USER MOD Single : A 85 LYS NZ :NH3+ 155:sc= 1.22 (180deg=1.09) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ -151:sc= 0.86 (180deg=-0.609!) USER MOD Single : A 89 LYS NZ :NH3+ -143:sc= 1.27 (180deg=0.482) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl -160:sc= -0.257 (180deg=-1.54) USER MOD Single : A 97 GLN : amide:sc= 0.0752 K(o=0.075,f=-3.3!) USER MOD Single : A 98 LYS NZ :NH3+ -118:sc= 1.18 (180deg=-2.42!) USER MOD Single : A 103 TYR OH : rot 180:sc= -0.643 USER MOD Single : A 104 LYS NZ :NH3+ 133:sc= 0.556 (180deg=-2.06!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot -25:sc= 0.542 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 10 -3.993 -23.174 5.535 1.00 0.00 N ATOM 2 CA THR A 10 -3.315 -22.323 6.479 1.00 0.00 C ATOM 3 C THR A 10 -2.890 -20.958 5.848 1.00 0.00 C ATOM 4 O THR A 10 -1.791 -20.447 6.078 1.00 0.00 O ATOM 5 CB THR A 10 -2.083 -23.108 6.972 1.00 0.00 C ATOM 6 OG1 THR A 10 -1.394 -23.660 5.831 1.00 0.00 O ATOM 7 CG2 THR A 10 -2.511 -24.249 7.890 1.00 0.00 C ATOM 0 HA THR A 10 -3.983 -22.071 7.302 1.00 0.00 H new ATOM 0 HB THR A 10 -1.429 -22.433 7.525 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.042 -23.864 5.125 1.00 0.00 H new ATOM 0 HG21 THR A 10 -1.630 -24.793 8.229 1.00 0.00 H new ATOM 0 HG22 THR A 10 -3.041 -23.843 8.752 1.00 0.00 H new ATOM 0 HG23 THR A 10 -3.169 -24.927 7.346 1.00 0.00 H new ATOM 15 N SER A 11 -3.805 -20.347 5.122 1.00 0.00 N ATOM 16 CA SER A 11 -3.598 -19.053 4.491 1.00 0.00 C ATOM 17 C SER A 11 -3.626 -17.986 5.522 1.00 0.00 C ATOM 18 O SER A 11 -3.213 -16.876 5.278 1.00 0.00 O ATOM 19 CB SER A 11 -4.679 -18.816 3.492 1.00 0.00 C ATOM 20 OG SER A 11 -4.805 -19.927 2.615 1.00 0.00 O ATOM 0 H SER A 11 -4.730 -20.740 4.949 1.00 0.00 H new ATOM 0 HA SER A 11 -2.630 -19.040 3.990 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.624 -18.643 4.006 1.00 0.00 H new ATOM 0 HB3 SER A 11 -4.459 -17.916 2.918 1.00 0.00 H new ATOM 0 HG SER A 11 -4.204 -19.809 1.850 1.00 0.00 H new ATOM 26 N SER A 12 -4.092 -18.338 6.658 1.00 0.00 N ATOM 27 CA SER A 12 -4.124 -17.500 7.761 1.00 0.00 C ATOM 28 C SER A 12 -2.683 -17.174 8.188 1.00 0.00 C ATOM 29 O SER A 12 -2.318 -16.007 8.336 1.00 0.00 O ATOM 30 CB SER A 12 -4.906 -18.252 8.807 1.00 0.00 C ATOM 31 OG SER A 12 -4.553 -19.634 8.735 1.00 0.00 O ATOM 0 H SER A 12 -4.477 -19.265 6.839 1.00 0.00 H new ATOM 0 HA SER A 12 -4.600 -16.538 7.571 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.687 -17.857 9.799 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.976 -18.126 8.642 1.00 0.00 H new ATOM 0 HG SER A 12 -5.054 -20.135 9.412 1.00 0.00 H new ATOM 37 N GLU A 13 -1.842 -18.197 8.323 1.00 0.00 N ATOM 38 CA GLU A 13 -0.463 -17.998 8.732 1.00 0.00 C ATOM 39 C GLU A 13 0.418 -17.560 7.572 1.00 0.00 C ATOM 40 O GLU A 13 1.378 -16.813 7.763 1.00 0.00 O ATOM 41 CB GLU A 13 0.096 -19.245 9.364 1.00 0.00 C ATOM 42 CG GLU A 13 0.141 -20.427 8.428 1.00 0.00 C ATOM 43 CD GLU A 13 0.680 -21.646 9.089 1.00 0.00 C ATOM 44 OE1 GLU A 13 1.903 -21.753 9.235 1.00 0.00 O ATOM 45 OE2 GLU A 13 -0.120 -22.512 9.494 1.00 0.00 O ATOM 0 H GLU A 13 -2.096 -19.170 8.154 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.464 -17.197 9.471 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.104 -19.039 9.725 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.508 -19.504 10.234 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.863 -20.631 8.055 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.758 -20.181 7.564 1.00 0.00 H new ATOM 52 N LEU A 14 0.092 -18.036 6.375 1.00 0.00 N ATOM 53 CA LEU A 14 0.837 -17.702 5.157 1.00 0.00 C ATOM 54 C LEU A 14 0.747 -16.224 4.928 1.00 0.00 C ATOM 55 O LEU A 14 1.687 -15.559 4.489 1.00 0.00 O ATOM 56 CB LEU A 14 0.200 -18.418 3.973 1.00 0.00 C ATOM 57 CG LEU A 14 0.969 -18.362 2.643 1.00 0.00 C ATOM 58 CD1 LEU A 14 2.333 -19.030 2.770 1.00 0.00 C ATOM 59 CD2 LEU A 14 0.161 -19.008 1.531 1.00 0.00 C ATOM 0 H LEU A 14 -0.696 -18.665 6.217 1.00 0.00 H new ATOM 0 HA LEU A 14 1.878 -18.007 5.262 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.060 -19.465 4.242 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.792 -17.995 3.812 1.00 0.00 H new ATOM 0 HG LEU A 14 1.129 -17.314 2.391 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.855 -18.976 1.815 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.919 -18.518 3.533 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.202 -20.074 3.053 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.722 -18.958 0.598 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.035 -20.051 1.782 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.785 -18.479 1.414 1.00 0.00 H new ATOM 71 N ALA A 15 -0.366 -15.720 5.319 1.00 0.00 N ATOM 72 CA ALA A 15 -0.659 -14.357 5.165 1.00 0.00 C ATOM 73 C ALA A 15 -0.101 -13.532 6.287 1.00 0.00 C ATOM 74 O ALA A 15 0.003 -12.343 6.155 1.00 0.00 O ATOM 75 CB ALA A 15 -2.096 -14.124 5.008 1.00 0.00 C ATOM 0 H ALA A 15 -1.108 -16.261 5.763 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.169 -14.035 4.246 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.281 -13.056 4.892 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -2.456 -14.653 4.126 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.622 -14.489 5.890 1.00 0.00 H new ATOM 81 N LYS A 16 0.292 -14.153 7.391 1.00 0.00 N ATOM 82 CA LYS A 16 0.938 -13.396 8.461 1.00 0.00 C ATOM 83 C LYS A 16 2.219 -12.853 7.922 1.00 0.00 C ATOM 84 O LYS A 16 2.630 -11.743 8.240 1.00 0.00 O ATOM 85 CB LYS A 16 1.180 -14.245 9.705 1.00 0.00 C ATOM 86 CG LYS A 16 -0.090 -14.696 10.389 1.00 0.00 C ATOM 87 CD LYS A 16 0.201 -15.642 11.535 1.00 0.00 C ATOM 88 CE LYS A 16 -1.084 -16.119 12.178 1.00 0.00 C ATOM 89 NZ LYS A 16 -0.837 -17.121 13.227 1.00 0.00 N ATOM 0 H LYS A 16 0.181 -15.151 7.570 1.00 0.00 H new ATOM 0 HA LYS A 16 0.282 -12.585 8.778 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.764 -15.122 9.427 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.780 -13.674 10.413 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.632 -13.827 10.762 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.739 -15.189 9.665 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.770 -16.497 11.171 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.820 -15.140 12.278 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.612 -15.268 12.607 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.734 -16.546 11.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.743 -17.421 13.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.356 -17.945 12.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.238 -16.706 13.969 1.00 0.00 H new ATOM 103 N LYS A 17 2.837 -13.644 7.084 1.00 0.00 N ATOM 104 CA LYS A 17 3.994 -13.215 6.396 1.00 0.00 C ATOM 105 C LYS A 17 3.632 -12.387 5.176 1.00 0.00 C ATOM 106 O LYS A 17 4.226 -11.354 4.947 1.00 0.00 O ATOM 107 CB LYS A 17 4.928 -14.377 6.051 1.00 0.00 C ATOM 108 CG LYS A 17 5.461 -15.107 7.284 1.00 0.00 C ATOM 109 CD LYS A 17 5.923 -14.105 8.342 1.00 0.00 C ATOM 110 CE LYS A 17 6.694 -14.756 9.482 1.00 0.00 C ATOM 111 NZ LYS A 17 5.915 -15.779 10.207 1.00 0.00 N ATOM 0 H LYS A 17 2.542 -14.597 6.870 1.00 0.00 H new ATOM 0 HA LYS A 17 4.552 -12.568 7.073 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.396 -15.087 5.418 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.768 -13.999 5.469 1.00 0.00 H new ATOM 0 HG2 LYS A 17 4.684 -15.749 7.698 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.291 -15.754 7.000 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.552 -13.351 7.870 1.00 0.00 H new ATOM 0 HD3 LYS A 17 5.054 -13.587 8.748 1.00 0.00 H new ATOM 0 HE2 LYS A 17 7.599 -15.214 9.084 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.010 -13.985 10.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 6.496 -16.183 10.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 5.064 -15.343 10.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 5.635 -16.534 9.548 1.00 0.00 H new ATOM 125 N SER A 18 2.607 -12.800 4.430 1.00 0.00 N ATOM 126 CA SER A 18 2.269 -12.097 3.202 1.00 0.00 C ATOM 127 C SER A 18 1.784 -10.666 3.483 1.00 0.00 C ATOM 128 O SER A 18 2.089 -9.781 2.733 1.00 0.00 O ATOM 129 CB SER A 18 1.273 -12.879 2.317 1.00 0.00 C ATOM 130 OG SER A 18 1.198 -12.335 0.988 1.00 0.00 O ATOM 0 H SER A 18 2.012 -13.598 4.650 1.00 0.00 H new ATOM 0 HA SER A 18 3.192 -12.023 2.626 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.576 -13.925 2.265 1.00 0.00 H new ATOM 0 HB3 SER A 18 0.284 -12.856 2.775 1.00 0.00 H new ATOM 0 HG SER A 18 0.446 -11.709 0.933 1.00 0.00 H new ATOM 136 N LYS A 19 1.072 -10.441 4.597 1.00 0.00 N ATOM 137 CA LYS A 19 0.593 -9.107 4.919 1.00 0.00 C ATOM 138 C LYS A 19 1.745 -8.218 5.261 1.00 0.00 C ATOM 139 O LYS A 19 1.784 -7.098 4.805 1.00 0.00 O ATOM 140 CB LYS A 19 -0.470 -9.058 6.054 1.00 0.00 C ATOM 141 CG LYS A 19 -1.698 -9.955 5.848 1.00 0.00 C ATOM 142 CD LYS A 19 -2.944 -9.434 6.572 1.00 0.00 C ATOM 143 CE LYS A 19 -2.743 -9.240 8.067 1.00 0.00 C ATOM 144 NZ LYS A 19 -2.509 -10.507 8.806 1.00 0.00 N ATOM 0 H LYS A 19 0.823 -11.160 5.276 1.00 0.00 H new ATOM 0 HA LYS A 19 0.085 -8.752 4.022 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.011 -9.340 6.991 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.809 -8.028 6.167 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.910 -10.034 4.782 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.471 -10.960 6.203 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.242 -8.484 6.128 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.766 -10.132 6.412 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.895 -8.574 8.227 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.621 -8.744 8.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.380 -10.300 9.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.327 -11.137 8.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.655 -10.972 8.436 1.00 0.00 H new ATOM 158 N GLU A 20 2.716 -8.728 6.014 1.00 0.00 N ATOM 159 CA GLU A 20 3.840 -7.902 6.381 1.00 0.00 C ATOM 160 C GLU A 20 4.753 -7.654 5.194 1.00 0.00 C ATOM 161 O GLU A 20 5.262 -6.543 5.030 1.00 0.00 O ATOM 162 CB GLU A 20 4.625 -8.423 7.586 1.00 0.00 C ATOM 163 CG GLU A 20 5.311 -9.750 7.397 1.00 0.00 C ATOM 164 CD GLU A 20 6.234 -10.052 8.527 1.00 0.00 C ATOM 165 OE1 GLU A 20 5.769 -10.422 9.594 1.00 0.00 O ATOM 166 OE2 GLU A 20 7.459 -9.909 8.369 1.00 0.00 O ATOM 0 H GLU A 20 2.741 -9.684 6.369 1.00 0.00 H new ATOM 0 HA GLU A 20 3.414 -6.950 6.697 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.377 -7.681 7.854 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.943 -8.505 8.432 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.563 -10.539 7.315 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.870 -9.742 6.461 1.00 0.00 H new ATOM 173 N VAL A 21 4.941 -8.668 4.355 1.00 0.00 N ATOM 174 CA VAL A 21 5.756 -8.517 3.172 1.00 0.00 C ATOM 175 C VAL A 21 5.075 -7.553 2.226 1.00 0.00 C ATOM 176 O VAL A 21 5.681 -6.578 1.812 1.00 0.00 O ATOM 177 CB VAL A 21 6.070 -9.871 2.475 1.00 0.00 C ATOM 178 CG1 VAL A 21 6.900 -9.656 1.223 1.00 0.00 C ATOM 179 CG2 VAL A 21 6.817 -10.794 3.419 1.00 0.00 C ATOM 0 H VAL A 21 4.538 -9.597 4.479 1.00 0.00 H new ATOM 0 HA VAL A 21 6.723 -8.115 3.475 1.00 0.00 H new ATOM 0 HB VAL A 21 5.121 -10.329 2.197 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.106 -10.618 0.754 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.350 -9.023 0.526 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.840 -9.173 1.488 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.028 -11.737 2.915 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.754 -10.326 3.720 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.206 -10.984 4.302 1.00 0.00 H new ATOM 189 N PHE A 22 3.787 -7.777 1.975 1.00 0.00 N ATOM 190 CA PHE A 22 2.979 -6.892 1.129 1.00 0.00 C ATOM 191 C PHE A 22 3.008 -5.483 1.648 1.00 0.00 C ATOM 192 O PHE A 22 3.329 -4.558 0.904 1.00 0.00 O ATOM 193 CB PHE A 22 1.510 -7.395 1.052 1.00 0.00 C ATOM 194 CG PHE A 22 0.478 -6.318 0.756 1.00 0.00 C ATOM 195 CD1 PHE A 22 0.432 -5.682 -0.462 1.00 0.00 C ATOM 196 CD2 PHE A 22 -0.418 -5.928 1.729 1.00 0.00 C ATOM 197 CE1 PHE A 22 -0.485 -4.687 -0.706 1.00 0.00 C ATOM 198 CE2 PHE A 22 -1.329 -4.935 1.487 1.00 0.00 C ATOM 199 CZ PHE A 22 -1.367 -4.313 0.270 1.00 0.00 C ATOM 0 H PHE A 22 3.272 -8.574 2.350 1.00 0.00 H new ATOM 0 HA PHE A 22 3.409 -6.905 0.128 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.444 -8.162 0.281 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.255 -7.872 1.998 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.126 -5.968 -1.238 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.401 -6.412 2.694 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.509 -4.200 -1.670 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.022 -4.641 2.262 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.088 -3.532 0.081 1.00 0.00 H new ATOM 209 N ARG A 23 2.683 -5.310 2.930 1.00 0.00 N ATOM 210 CA ARG A 23 2.675 -3.979 3.490 1.00 0.00 C ATOM 211 C ARG A 23 4.057 -3.345 3.415 1.00 0.00 C ATOM 212 O ARG A 23 4.155 -2.173 3.211 1.00 0.00 O ATOM 213 CB ARG A 23 2.080 -3.901 4.912 1.00 0.00 C ATOM 214 CG ARG A 23 2.922 -4.519 6.013 1.00 0.00 C ATOM 215 CD ARG A 23 3.287 -3.516 7.093 1.00 0.00 C ATOM 216 NE ARG A 23 2.109 -2.987 7.801 1.00 0.00 N ATOM 217 CZ ARG A 23 2.098 -2.637 9.101 1.00 0.00 C ATOM 218 NH1 ARG A 23 3.181 -2.808 9.849 1.00 0.00 N ATOM 219 NH2 ARG A 23 0.999 -2.129 9.650 1.00 0.00 N ATOM 0 H ARG A 23 2.430 -6.058 3.576 1.00 0.00 H new ATOM 0 HA ARG A 23 1.997 -3.395 2.868 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.908 -2.853 5.157 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.106 -4.391 4.906 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.377 -5.350 6.461 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.834 -4.932 5.581 1.00 0.00 H new ATOM 0 HD2 ARG A 23 3.955 -3.990 7.812 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.837 -2.689 6.644 1.00 0.00 H new ATOM 0 HE ARG A 23 1.244 -2.879 7.271 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.026 -3.206 9.439 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.168 -2.541 10.833 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.159 -2.003 9.086 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.996 -1.866 10.635 1.00 0.00 H new ATOM 233 N LYS A 24 5.116 -4.150 3.497 1.00 0.00 N ATOM 234 CA LYS A 24 6.478 -3.630 3.412 1.00 0.00 C ATOM 235 C LYS A 24 6.730 -3.075 2.016 1.00 0.00 C ATOM 236 O LYS A 24 7.077 -1.896 1.864 1.00 0.00 O ATOM 237 CB LYS A 24 7.508 -4.722 3.766 1.00 0.00 C ATOM 238 CG LYS A 24 8.981 -4.294 3.750 1.00 0.00 C ATOM 239 CD LYS A 24 9.258 -3.158 4.727 1.00 0.00 C ATOM 240 CE LYS A 24 10.755 -2.930 4.922 1.00 0.00 C ATOM 241 NZ LYS A 24 11.471 -2.590 3.667 1.00 0.00 N ATOM 0 H LYS A 24 5.056 -5.161 3.622 1.00 0.00 H new ATOM 0 HA LYS A 24 6.593 -2.824 4.136 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.273 -5.105 4.759 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.384 -5.549 3.067 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.609 -5.149 4.001 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.256 -3.981 2.743 1.00 0.00 H new ATOM 0 HD2 LYS A 24 8.796 -2.242 4.360 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.797 -3.385 5.688 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.901 -2.126 5.643 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.198 -3.828 5.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.495 -2.565 3.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.264 -3.308 2.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.156 -1.658 3.329 1.00 0.00 H new ATOM 255 N GLU A 25 6.464 -3.882 0.993 1.00 0.00 N ATOM 256 CA GLU A 25 6.725 -3.467 -0.357 1.00 0.00 C ATOM 257 C GLU A 25 5.783 -2.390 -0.830 1.00 0.00 C ATOM 258 O GLU A 25 6.168 -1.535 -1.628 1.00 0.00 O ATOM 259 CB GLU A 25 6.811 -4.642 -1.329 1.00 0.00 C ATOM 260 CG GLU A 25 5.940 -5.825 -1.042 1.00 0.00 C ATOM 261 CD GLU A 25 6.192 -6.919 -2.038 1.00 0.00 C ATOM 262 OE1 GLU A 25 5.963 -6.694 -3.245 1.00 0.00 O ATOM 263 OE2 GLU A 25 6.660 -8.009 -1.656 1.00 0.00 O ATOM 0 H GLU A 25 6.071 -4.819 1.085 1.00 0.00 H new ATOM 0 HA GLU A 25 7.716 -3.013 -0.343 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.567 -4.276 -2.326 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.846 -4.982 -1.359 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.135 -6.191 -0.034 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.892 -5.529 -1.076 1.00 0.00 H new ATOM 270 N MET A 26 4.578 -2.399 -0.332 1.00 0.00 N ATOM 271 CA MET A 26 3.638 -1.380 -0.682 1.00 0.00 C ATOM 272 C MET A 26 3.924 -0.080 0.055 1.00 0.00 C ATOM 273 O MET A 26 3.757 0.972 -0.493 1.00 0.00 O ATOM 274 CB MET A 26 2.222 -1.861 -0.458 1.00 0.00 C ATOM 275 CG MET A 26 1.161 -0.843 -0.870 1.00 0.00 C ATOM 276 SD MET A 26 1.549 0.037 -2.426 1.00 0.00 S ATOM 277 CE MET A 26 1.157 -1.099 -3.740 1.00 0.00 C ATOM 0 H MET A 26 4.227 -3.103 0.318 1.00 0.00 H new ATOM 0 HA MET A 26 3.748 -1.166 -1.745 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.067 -2.783 -1.019 1.00 0.00 H new ATOM 0 HB3 MET A 26 2.092 -2.103 0.597 1.00 0.00 H new ATOM 0 HG2 MET A 26 0.204 -1.354 -0.981 1.00 0.00 H new ATOM 0 HG3 MET A 26 1.042 -0.112 -0.070 1.00 0.00 H new ATOM 0 HE1 MET A 26 2.030 -1.230 -4.380 1.00 0.00 H new ATOM 0 HE2 MET A 26 0.870 -2.061 -3.316 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.331 -0.702 -4.330 1.00 0.00 H new ATOM 287 N SER A 27 4.414 -0.172 1.282 1.00 0.00 N ATOM 288 CA SER A 27 4.817 1.009 2.003 1.00 0.00 C ATOM 289 C SER A 27 5.936 1.644 1.247 1.00 0.00 C ATOM 290 O SER A 27 5.966 2.837 1.080 1.00 0.00 O ATOM 291 CB SER A 27 5.260 0.722 3.454 1.00 0.00 C ATOM 292 OG SER A 27 4.199 0.195 4.231 1.00 0.00 O ATOM 0 H SER A 27 4.539 -1.048 1.789 1.00 0.00 H new ATOM 0 HA SER A 27 3.954 1.670 2.080 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.092 0.017 3.448 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.625 1.642 3.912 1.00 0.00 H new ATOM 0 HG SER A 27 4.217 -0.784 4.188 1.00 0.00 H new ATOM 298 N GLN A 28 6.815 0.813 0.706 1.00 0.00 N ATOM 299 CA GLN A 28 7.952 1.323 -0.050 1.00 0.00 C ATOM 300 C GLN A 28 7.487 1.925 -1.364 1.00 0.00 C ATOM 301 O GLN A 28 7.910 3.022 -1.733 1.00 0.00 O ATOM 302 CB GLN A 28 9.010 0.243 -0.293 1.00 0.00 C ATOM 303 CG GLN A 28 9.584 -0.406 0.969 1.00 0.00 C ATOM 304 CD GLN A 28 10.559 0.443 1.797 1.00 0.00 C ATOM 305 OE1 GLN A 28 11.431 -0.110 2.468 1.00 0.00 O ATOM 306 NE2 GLN A 28 10.472 1.746 1.744 1.00 0.00 N ATOM 0 H GLN A 28 6.766 -0.204 0.774 1.00 0.00 H new ATOM 0 HA GLN A 28 8.421 2.104 0.549 1.00 0.00 H new ATOM 0 HB2 GLN A 28 8.573 -0.537 -0.916 1.00 0.00 H new ATOM 0 HB3 GLN A 28 9.830 0.682 -0.861 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.752 -0.694 1.612 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.094 -1.324 0.678 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.743 2.186 1.183 1.00 0.00 H new ATOM 0 HE22 GLN A 28 11.133 2.323 2.264 1.00 0.00 H new ATOM 315 N PHE A 29 6.604 1.218 -2.036 1.00 0.00 N ATOM 316 CA PHE A 29 6.027 1.663 -3.288 1.00 0.00 C ATOM 317 C PHE A 29 5.285 2.994 -3.091 1.00 0.00 C ATOM 318 O PHE A 29 5.467 3.932 -3.862 1.00 0.00 O ATOM 319 CB PHE A 29 5.092 0.580 -3.835 1.00 0.00 C ATOM 320 CG PHE A 29 4.435 0.907 -5.133 1.00 0.00 C ATOM 321 CD1 PHE A 29 5.063 0.633 -6.329 1.00 0.00 C ATOM 322 CD2 PHE A 29 3.175 1.466 -5.153 1.00 0.00 C ATOM 323 CE1 PHE A 29 4.438 0.912 -7.520 1.00 0.00 C ATOM 324 CE2 PHE A 29 2.553 1.749 -6.333 1.00 0.00 C ATOM 325 CZ PHE A 29 3.180 1.473 -7.513 1.00 0.00 C ATOM 0 H PHE A 29 6.262 0.308 -1.726 1.00 0.00 H new ATOM 0 HA PHE A 29 6.822 1.832 -4.015 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.661 -0.342 -3.956 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.318 0.382 -3.094 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.051 0.197 -6.330 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.674 1.683 -4.221 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.930 0.693 -8.456 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.567 2.190 -6.334 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.687 1.696 -8.448 1.00 0.00 H new ATOM 335 N ILE A 30 4.470 3.063 -2.063 1.00 0.00 N ATOM 336 CA ILE A 30 3.741 4.268 -1.716 1.00 0.00 C ATOM 337 C ILE A 30 4.687 5.371 -1.326 1.00 0.00 C ATOM 338 O ILE A 30 4.513 6.507 -1.752 1.00 0.00 O ATOM 339 CB ILE A 30 2.697 4.024 -0.609 1.00 0.00 C ATOM 340 CG1 ILE A 30 1.580 3.156 -1.174 1.00 0.00 C ATOM 341 CG2 ILE A 30 2.148 5.349 -0.071 1.00 0.00 C ATOM 342 CD1 ILE A 30 0.620 2.628 -0.150 1.00 0.00 C ATOM 0 H ILE A 30 4.291 2.278 -1.436 1.00 0.00 H new ATOM 0 HA ILE A 30 3.194 4.577 -2.607 1.00 0.00 H new ATOM 0 HB ILE A 30 3.167 3.509 0.229 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.023 3.737 -1.909 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.025 2.314 -1.704 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.413 5.149 0.709 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.965 5.940 0.343 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.675 5.903 -0.882 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.140 2.022 -0.642 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.159 2.016 0.573 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.142 3.462 0.365 1.00 0.00 H new ATOM 354 N VAL A 31 5.688 5.047 -0.522 1.00 0.00 N ATOM 355 CA VAL A 31 6.737 6.018 -0.193 1.00 0.00 C ATOM 356 C VAL A 31 7.328 6.609 -1.473 1.00 0.00 C ATOM 357 O VAL A 31 7.414 7.826 -1.624 1.00 0.00 O ATOM 358 CB VAL A 31 7.849 5.380 0.708 1.00 0.00 C ATOM 359 CG1 VAL A 31 9.142 6.193 0.701 1.00 0.00 C ATOM 360 CG2 VAL A 31 7.343 5.271 2.142 1.00 0.00 C ATOM 0 H VAL A 31 5.802 4.132 -0.086 1.00 0.00 H new ATOM 0 HA VAL A 31 6.286 6.826 0.383 1.00 0.00 H new ATOM 0 HB VAL A 31 8.070 4.395 0.298 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.880 5.708 1.340 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.528 6.254 -0.317 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.942 7.197 1.074 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.117 4.827 2.768 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.098 6.264 2.518 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.452 4.643 2.167 1.00 0.00 H new ATOM 370 N GLN A 32 7.653 5.745 -2.401 1.00 0.00 N ATOM 371 CA GLN A 32 8.203 6.111 -3.696 1.00 0.00 C ATOM 372 C GLN A 32 7.239 7.027 -4.447 1.00 0.00 C ATOM 373 O GLN A 32 7.640 8.022 -5.058 1.00 0.00 O ATOM 374 CB GLN A 32 8.398 4.832 -4.476 1.00 0.00 C ATOM 375 CG GLN A 32 8.950 4.982 -5.860 1.00 0.00 C ATOM 376 CD GLN A 32 9.047 3.643 -6.536 1.00 0.00 C ATOM 377 OE1 GLN A 32 8.111 3.203 -7.204 1.00 0.00 O ATOM 378 NE2 GLN A 32 10.152 2.976 -6.353 1.00 0.00 N ATOM 0 H GLN A 32 7.542 4.738 -2.280 1.00 0.00 H new ATOM 0 HA GLN A 32 9.145 6.645 -3.571 1.00 0.00 H new ATOM 0 HB2 GLN A 32 9.065 4.183 -3.909 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.437 4.321 -4.543 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.311 5.645 -6.443 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.935 5.446 -5.817 1.00 0.00 H new ATOM 0 HE21 GLN A 32 10.903 3.378 -5.792 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.265 2.052 -6.771 1.00 0.00 H new ATOM 387 N CYS A 33 5.979 6.665 -4.388 1.00 0.00 N ATOM 388 CA CYS A 33 4.909 7.401 -5.010 1.00 0.00 C ATOM 389 C CYS A 33 4.705 8.767 -4.379 1.00 0.00 C ATOM 390 O CYS A 33 4.391 9.715 -5.071 1.00 0.00 O ATOM 391 CB CYS A 33 3.620 6.603 -4.926 1.00 0.00 C ATOM 392 SG CYS A 33 3.653 5.056 -5.842 1.00 0.00 S ATOM 0 H CYS A 33 5.664 5.830 -3.894 1.00 0.00 H new ATOM 0 HA CYS A 33 5.186 7.559 -6.052 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.406 6.388 -3.879 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.800 7.217 -5.300 1.00 0.00 H new ATOM 0 HG CYS A 33 4.522 4.252 -5.305 1.00 0.00 H new ATOM 398 N LEU A 34 4.858 8.846 -3.073 1.00 0.00 N ATOM 399 CA LEU A 34 4.694 10.095 -2.339 1.00 0.00 C ATOM 400 C LEU A 34 5.918 10.994 -2.411 1.00 0.00 C ATOM 401 O LEU A 34 5.811 12.193 -2.166 1.00 0.00 O ATOM 402 CB LEU A 34 4.308 9.863 -0.886 1.00 0.00 C ATOM 403 CG LEU A 34 2.936 9.264 -0.614 1.00 0.00 C ATOM 404 CD1 LEU A 34 2.720 9.177 0.877 1.00 0.00 C ATOM 405 CD2 LEU A 34 1.833 10.097 -1.261 1.00 0.00 C ATOM 0 H LEU A 34 5.100 8.048 -2.485 1.00 0.00 H new ATOM 0 HA LEU A 34 3.874 10.611 -2.838 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.056 9.208 -0.439 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.368 10.818 -0.365 1.00 0.00 H new ATOM 0 HG LEU A 34 2.895 8.266 -1.050 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.738 8.748 1.078 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.490 8.545 1.320 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.776 10.175 1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.864 9.645 -1.050 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.857 11.109 -0.857 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.989 10.133 -2.339 1.00 0.00 H new ATOM 417 N ASN A 35 7.084 10.414 -2.684 1.00 0.00 N ATOM 418 CA ASN A 35 8.323 11.197 -2.902 1.00 0.00 C ATOM 419 C ASN A 35 8.180 12.507 -3.699 1.00 0.00 C ATOM 420 O ASN A 35 8.657 13.539 -3.250 1.00 0.00 O ATOM 421 CB ASN A 35 9.426 10.352 -3.466 1.00 0.00 C ATOM 422 CG ASN A 35 10.261 9.966 -2.347 1.00 0.00 C ATOM 423 OD1 ASN A 35 11.299 10.568 -2.079 1.00 0.00 O ATOM 424 ND2 ASN A 35 9.778 9.066 -1.609 1.00 0.00 N ATOM 0 H ASN A 35 7.209 9.405 -2.762 1.00 0.00 H new ATOM 0 HA ASN A 35 8.584 11.522 -1.895 1.00 0.00 H new ATOM 0 HB2 ASN A 35 9.023 9.474 -3.970 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.001 10.908 -4.206 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.252 8.807 -0.744 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.913 8.596 -1.877 1.00 0.00 H new ATOM 431 N PRO A 36 7.512 12.517 -4.887 1.00 0.00 N ATOM 432 CA PRO A 36 7.328 13.755 -5.657 1.00 0.00 C ATOM 433 C PRO A 36 6.375 14.751 -4.976 1.00 0.00 C ATOM 434 O PRO A 36 6.352 15.934 -5.314 1.00 0.00 O ATOM 435 CB PRO A 36 6.734 13.272 -6.982 1.00 0.00 C ATOM 436 CG PRO A 36 6.092 11.976 -6.661 1.00 0.00 C ATOM 437 CD PRO A 36 6.943 11.352 -5.603 1.00 0.00 C ATOM 0 HA PRO A 36 8.267 14.298 -5.764 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.009 13.986 -7.374 1.00 0.00 H new ATOM 0 HB3 PRO A 36 7.507 13.153 -7.741 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.072 12.122 -6.307 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.035 11.339 -7.543 1.00 0.00 H new ATOM 0 HD2 PRO A 36 6.356 10.719 -4.937 1.00 0.00 H new ATOM 0 HD3 PRO A 36 7.724 10.725 -6.034 1.00 0.00 H new ATOM 445 N TYR A 37 5.627 14.284 -4.011 1.00 0.00 N ATOM 446 CA TYR A 37 4.658 15.117 -3.344 1.00 0.00 C ATOM 447 C TYR A 37 5.290 15.889 -2.229 1.00 0.00 C ATOM 448 O TYR A 37 4.837 16.954 -1.884 1.00 0.00 O ATOM 449 CB TYR A 37 3.479 14.298 -2.828 1.00 0.00 C ATOM 450 CG TYR A 37 2.654 13.670 -3.917 1.00 0.00 C ATOM 451 CD1 TYR A 37 3.032 12.481 -4.492 1.00 0.00 C ATOM 452 CD2 TYR A 37 1.492 14.266 -4.356 1.00 0.00 C ATOM 453 CE1 TYR A 37 2.285 11.895 -5.480 1.00 0.00 C ATOM 454 CE2 TYR A 37 0.728 13.697 -5.349 1.00 0.00 C ATOM 455 CZ TYR A 37 1.132 12.502 -5.910 1.00 0.00 C ATOM 456 OH TYR A 37 0.378 11.909 -6.893 1.00 0.00 O ATOM 0 H TYR A 37 5.670 13.325 -3.667 1.00 0.00 H new ATOM 0 HA TYR A 37 4.277 15.826 -4.079 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.854 13.514 -2.170 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.838 14.941 -2.224 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.938 11.997 -4.158 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.175 15.198 -3.912 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.602 10.960 -5.918 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.177 14.180 -5.686 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.407 12.464 -7.083 1.00 0.00 H new ATOM 466 N ARG A 38 6.358 15.374 -1.685 1.00 0.00 N ATOM 467 CA ARG A 38 7.025 16.057 -0.579 1.00 0.00 C ATOM 468 C ARG A 38 8.044 17.049 -1.096 1.00 0.00 C ATOM 469 O ARG A 38 8.730 17.738 -0.323 1.00 0.00 O ATOM 470 CB ARG A 38 7.674 15.079 0.360 1.00 0.00 C ATOM 471 CG ARG A 38 8.753 14.249 -0.271 1.00 0.00 C ATOM 472 CD ARG A 38 9.385 13.390 0.781 1.00 0.00 C ATOM 473 NE ARG A 38 10.459 12.527 0.299 1.00 0.00 N ATOM 474 CZ ARG A 38 11.197 11.745 1.098 1.00 0.00 C ATOM 475 NH1 ARG A 38 11.093 11.865 2.420 1.00 0.00 N ATOM 476 NH2 ARG A 38 12.059 10.885 0.580 1.00 0.00 N ATOM 0 H ARG A 38 6.791 14.497 -1.975 1.00 0.00 H new ATOM 0 HA ARG A 38 6.262 16.601 -0.022 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.097 15.626 1.202 1.00 0.00 H new ATOM 0 HB3 ARG A 38 6.909 14.416 0.763 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.335 13.628 -1.063 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.502 14.893 -0.732 1.00 0.00 H new ATOM 0 HD2 ARG A 38 9.779 14.033 1.568 1.00 0.00 H new ATOM 0 HD3 ARG A 38 8.613 12.768 1.235 1.00 0.00 H new ATOM 0 HE ARG A 38 10.659 12.519 -0.701 1.00 0.00 H new ATOM 0 HH11 ARG A 38 10.453 12.551 2.821 1.00 0.00 H new ATOM 0 HH12 ARG A 38 11.653 11.271 3.032 1.00 0.00 H new ATOM 0 HH21 ARG A 38 12.164 10.815 -0.432 1.00 0.00 H new ATOM 0 HH22 ARG A 38 12.618 10.292 1.193 1.00 0.00 H new ATOM 490 N LYS A 39 8.142 17.108 -2.393 1.00 0.00 N ATOM 491 CA LYS A 39 8.990 18.063 -3.063 1.00 0.00 C ATOM 492 C LYS A 39 8.379 19.440 -2.904 1.00 0.00 C ATOM 493 O LYS A 39 7.166 19.588 -3.017 1.00 0.00 O ATOM 494 CB LYS A 39 9.085 17.737 -4.555 1.00 0.00 C ATOM 495 CG LYS A 39 9.684 16.393 -4.849 1.00 0.00 C ATOM 496 CD LYS A 39 11.096 16.311 -4.348 1.00 0.00 C ATOM 497 CE LYS A 39 11.641 14.933 -4.541 1.00 0.00 C ATOM 498 NZ LYS A 39 13.047 14.836 -4.104 1.00 0.00 N ATOM 0 H LYS A 39 7.632 16.490 -3.025 1.00 0.00 H new ATOM 0 HA LYS A 39 9.988 18.027 -2.627 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.087 17.782 -4.990 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.682 18.505 -5.047 1.00 0.00 H new ATOM 0 HG2 LYS A 39 9.083 15.613 -4.382 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.665 16.210 -5.923 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.718 17.032 -4.878 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.129 16.577 -3.291 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.036 14.221 -3.981 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.567 14.656 -5.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.391 13.866 -4.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.629 15.498 -4.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.114 15.076 -3.094 1.00 0.00 H new ATOM 512 N PRO A 40 9.187 20.463 -2.655 1.00 0.00 N ATOM 513 CA PRO A 40 8.693 21.828 -2.471 1.00 0.00 C ATOM 514 C PRO A 40 7.997 22.393 -3.709 1.00 0.00 C ATOM 515 O PRO A 40 7.213 23.340 -3.609 1.00 0.00 O ATOM 516 CB PRO A 40 9.939 22.640 -2.146 1.00 0.00 C ATOM 517 CG PRO A 40 11.075 21.812 -2.629 1.00 0.00 C ATOM 518 CD PRO A 40 10.648 20.386 -2.493 1.00 0.00 C ATOM 0 HA PRO A 40 7.934 21.860 -1.689 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.919 23.610 -2.643 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.017 22.831 -1.076 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.314 22.048 -3.666 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.973 22.006 -2.043 1.00 0.00 H new ATOM 0 HD2 PRO A 40 11.106 19.753 -3.253 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.926 19.972 -1.524 1.00 0.00 H new ATOM 526 N ASP A 41 8.222 21.774 -4.855 1.00 0.00 N ATOM 527 CA ASP A 41 7.642 22.256 -6.094 1.00 0.00 C ATOM 528 C ASP A 41 6.374 21.465 -6.430 1.00 0.00 C ATOM 529 O ASP A 41 5.776 21.616 -7.507 1.00 0.00 O ATOM 530 CB ASP A 41 8.662 22.178 -7.236 1.00 0.00 C ATOM 531 CG ASP A 41 8.198 22.904 -8.473 1.00 0.00 C ATOM 532 OD1 ASP A 41 8.166 24.160 -8.455 1.00 0.00 O ATOM 533 OD2 ASP A 41 7.827 22.252 -9.472 1.00 0.00 O ATOM 0 H ASP A 41 8.800 20.939 -4.952 1.00 0.00 H new ATOM 0 HA ASP A 41 7.366 23.303 -5.966 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.609 22.602 -6.903 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.850 21.133 -7.481 1.00 0.00 H new ATOM 538 N CYS A 42 5.952 20.631 -5.491 1.00 0.00 N ATOM 539 CA CYS A 42 4.738 19.875 -5.669 1.00 0.00 C ATOM 540 C CYS A 42 3.575 20.844 -5.676 1.00 0.00 C ATOM 541 O CYS A 42 3.546 21.809 -4.890 1.00 0.00 O ATOM 542 CB CYS A 42 4.558 18.826 -4.580 1.00 0.00 C ATOM 543 SG CYS A 42 3.110 17.776 -4.793 1.00 0.00 S ATOM 0 H CYS A 42 6.434 20.467 -4.607 1.00 0.00 H new ATOM 0 HA CYS A 42 4.788 19.335 -6.615 1.00 0.00 H new ATOM 0 HB2 CYS A 42 5.447 18.196 -4.548 1.00 0.00 H new ATOM 0 HB3 CYS A 42 4.489 19.329 -3.615 1.00 0.00 H new ATOM 0 HG CYS A 42 2.091 18.314 -4.191 1.00 0.00 H new ATOM 549 N LYS A 43 2.677 20.644 -6.589 1.00 0.00 N ATOM 550 CA LYS A 43 1.558 21.528 -6.769 1.00 0.00 C ATOM 551 C LYS A 43 0.286 20.908 -6.260 1.00 0.00 C ATOM 552 O LYS A 43 -0.647 21.608 -5.893 1.00 0.00 O ATOM 553 CB LYS A 43 1.449 21.887 -8.239 1.00 0.00 C ATOM 554 CG LYS A 43 2.703 22.582 -8.732 1.00 0.00 C ATOM 555 CD LYS A 43 2.714 22.820 -10.215 1.00 0.00 C ATOM 556 CE LYS A 43 4.026 23.475 -10.622 1.00 0.00 C ATOM 557 NZ LYS A 43 5.196 22.653 -10.226 1.00 0.00 N ATOM 0 H LYS A 43 2.696 19.857 -7.238 1.00 0.00 H new ATOM 0 HA LYS A 43 1.718 22.437 -6.188 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.278 20.984 -8.824 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.587 22.535 -8.394 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.805 23.538 -8.218 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.571 21.981 -8.462 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.588 21.876 -10.745 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.876 23.458 -10.497 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.037 23.628 -11.701 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.100 24.460 -10.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.054 23.030 -10.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.307 22.682 -9.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.048 21.670 -10.531 1.00 0.00 H new ATOM 571 N VAL A 44 0.247 19.607 -6.226 1.00 0.00 N ATOM 572 CA VAL A 44 -0.925 18.935 -5.744 1.00 0.00 C ATOM 573 C VAL A 44 -0.579 17.908 -4.681 1.00 0.00 C ATOM 574 O VAL A 44 0.145 16.945 -4.938 1.00 0.00 O ATOM 575 CB VAL A 44 -1.793 18.324 -6.888 1.00 0.00 C ATOM 576 CG1 VAL A 44 -1.046 17.293 -7.721 1.00 0.00 C ATOM 577 CG2 VAL A 44 -3.095 17.761 -6.343 1.00 0.00 C ATOM 0 H VAL A 44 1.006 18.995 -6.524 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.547 19.698 -5.275 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.030 19.143 -7.567 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.705 16.907 -8.499 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.175 17.759 -8.182 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.722 16.473 -7.080 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.681 17.342 -7.161 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.877 16.980 -5.615 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.663 18.557 -5.862 1.00 0.00 H new ATOM 587 N GLY A 45 -1.076 18.149 -3.488 1.00 0.00 N ATOM 588 CA GLY A 45 -0.833 17.273 -2.373 1.00 0.00 C ATOM 589 C GLY A 45 0.610 17.348 -1.901 1.00 0.00 C ATOM 590 O GLY A 45 1.239 16.325 -1.685 1.00 0.00 O ATOM 0 H GLY A 45 -1.658 18.957 -3.268 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.499 17.537 -1.551 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.070 16.248 -2.658 1.00 0.00 H new ATOM 594 N ARG A 46 1.147 18.553 -1.752 1.00 0.00 N ATOM 595 CA ARG A 46 2.518 18.716 -1.314 1.00 0.00 C ATOM 596 C ARG A 46 2.666 18.367 0.157 1.00 0.00 C ATOM 597 O ARG A 46 2.060 18.997 1.021 1.00 0.00 O ATOM 598 CB ARG A 46 3.011 20.138 -1.590 1.00 0.00 C ATOM 599 CG ARG A 46 4.478 20.368 -1.251 1.00 0.00 C ATOM 600 CD ARG A 46 4.957 21.711 -1.766 1.00 0.00 C ATOM 601 NE ARG A 46 4.282 22.829 -1.121 1.00 0.00 N ATOM 602 CZ ARG A 46 3.799 23.918 -1.737 1.00 0.00 C ATOM 603 NH1 ARG A 46 3.881 24.039 -3.061 1.00 0.00 N ATOM 604 NH2 ARG A 46 3.229 24.875 -1.017 1.00 0.00 N ATOM 0 H ARG A 46 0.651 19.427 -1.929 1.00 0.00 H new ATOM 0 HA ARG A 46 3.138 18.025 -1.885 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.853 20.367 -2.644 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.403 20.839 -1.017 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.616 20.320 -0.171 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.083 19.572 -1.685 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.031 21.797 -1.603 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.792 21.763 -2.842 1.00 0.00 H new ATOM 0 HE ARG A 46 4.166 22.779 -0.109 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.314 23.300 -3.615 1.00 0.00 H new ATOM 0 HH12 ARG A 46 3.511 24.871 -3.521 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.161 24.779 -0.004 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.859 25.707 -1.476 1.00 0.00 H new ATOM 618 N ILE A 47 3.455 17.366 0.426 1.00 0.00 N ATOM 619 CA ILE A 47 3.676 16.900 1.763 1.00 0.00 C ATOM 620 C ILE A 47 4.615 17.811 2.502 1.00 0.00 C ATOM 621 O ILE A 47 5.758 18.020 2.101 1.00 0.00 O ATOM 622 CB ILE A 47 4.183 15.443 1.806 1.00 0.00 C ATOM 623 CG1 ILE A 47 3.202 14.541 1.045 1.00 0.00 C ATOM 624 CG2 ILE A 47 4.364 14.994 3.244 1.00 0.00 C ATOM 625 CD1 ILE A 47 3.588 13.090 0.995 1.00 0.00 C ATOM 0 H ILE A 47 3.968 16.846 -0.286 1.00 0.00 H new ATOM 0 HA ILE A 47 2.708 16.915 2.264 1.00 0.00 H new ATOM 0 HB ILE A 47 5.156 15.374 1.320 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.219 14.625 1.508 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.106 14.912 0.025 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.722 13.965 3.261 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.091 15.639 3.738 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.410 15.055 3.767 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.836 12.532 0.437 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.555 12.987 0.502 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.654 12.696 2.009 1.00 0.00 H new ATOM 637 N THR A 48 4.099 18.358 3.543 1.00 0.00 N ATOM 638 CA THR A 48 4.770 19.262 4.417 1.00 0.00 C ATOM 639 C THR A 48 5.980 18.656 5.116 1.00 0.00 C ATOM 640 O THR A 48 7.133 19.051 4.884 1.00 0.00 O ATOM 641 CB THR A 48 3.760 19.684 5.470 1.00 0.00 C ATOM 642 OG1 THR A 48 3.005 18.509 5.868 1.00 0.00 O ATOM 643 CG2 THR A 48 2.821 20.669 4.895 1.00 0.00 C ATOM 0 H THR A 48 3.137 18.177 3.828 1.00 0.00 H new ATOM 0 HA THR A 48 5.147 20.094 3.822 1.00 0.00 H new ATOM 0 HB THR A 48 4.277 20.127 6.322 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.266 18.244 6.775 1.00 0.00 H new ATOM 0 HG21 THR A 48 2.098 20.969 5.654 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.375 21.544 4.555 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.296 20.222 4.051 1.00 0.00 H new ATOM 651 N THR A 49 5.726 17.679 5.917 1.00 0.00 N ATOM 652 CA THR A 49 6.730 17.192 6.806 1.00 0.00 C ATOM 653 C THR A 49 6.985 15.735 6.541 1.00 0.00 C ATOM 654 O THR A 49 6.117 15.036 6.040 1.00 0.00 O ATOM 655 CB THR A 49 6.241 17.357 8.266 1.00 0.00 C ATOM 656 OG1 THR A 49 5.459 18.565 8.372 1.00 0.00 O ATOM 657 CG2 THR A 49 7.415 17.458 9.234 1.00 0.00 C ATOM 0 H THR A 49 4.828 17.198 5.977 1.00 0.00 H new ATOM 0 HA THR A 49 7.649 17.756 6.651 1.00 0.00 H new ATOM 0 HB THR A 49 5.644 16.482 8.524 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.506 18.338 8.373 1.00 0.00 H new ATOM 0 HG21 THR A 49 7.039 17.573 10.251 1.00 0.00 H new ATOM 0 HG22 THR A 49 8.018 16.552 9.170 1.00 0.00 H new ATOM 0 HG23 THR A 49 8.028 18.321 8.974 1.00 0.00 H new ATOM 665 N THR A 50 8.162 15.291 6.870 1.00 0.00 N ATOM 666 CA THR A 50 8.542 13.916 6.779 1.00 0.00 C ATOM 667 C THR A 50 7.611 13.060 7.631 1.00 0.00 C ATOM 668 O THR A 50 7.202 11.996 7.226 1.00 0.00 O ATOM 669 CB THR A 50 10.014 13.773 7.246 1.00 0.00 C ATOM 670 OG1 THR A 50 10.500 12.426 7.108 1.00 0.00 O ATOM 671 CG2 THR A 50 10.210 14.257 8.669 1.00 0.00 C ATOM 0 H THR A 50 8.905 15.896 7.220 1.00 0.00 H new ATOM 0 HA THR A 50 8.461 13.572 5.748 1.00 0.00 H new ATOM 0 HB THR A 50 10.601 14.412 6.586 1.00 0.00 H new ATOM 0 HG1 THR A 50 11.431 12.381 7.412 1.00 0.00 H new ATOM 0 HG21 THR A 50 11.256 14.138 8.953 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.933 15.309 8.737 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.582 13.673 9.342 1.00 0.00 H new ATOM 679 N GLU A 51 7.241 13.579 8.792 1.00 0.00 N ATOM 680 CA GLU A 51 6.318 12.910 9.680 1.00 0.00 C ATOM 681 C GLU A 51 4.953 12.783 9.041 1.00 0.00 C ATOM 682 O GLU A 51 4.244 11.789 9.251 1.00 0.00 O ATOM 683 CB GLU A 51 6.230 13.630 11.015 1.00 0.00 C ATOM 684 CG GLU A 51 7.537 13.635 11.782 1.00 0.00 C ATOM 685 CD GLU A 51 8.065 12.238 12.001 1.00 0.00 C ATOM 686 OE1 GLU A 51 7.565 11.527 12.894 1.00 0.00 O ATOM 687 OE2 GLU A 51 8.990 11.824 11.285 1.00 0.00 O ATOM 0 H GLU A 51 7.576 14.477 9.140 1.00 0.00 H new ATOM 0 HA GLU A 51 6.697 11.905 9.867 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.913 14.659 10.845 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.461 13.156 11.625 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.276 14.221 11.236 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.391 14.123 12.745 1.00 0.00 H new ATOM 694 N ASP A 52 4.598 13.760 8.238 1.00 0.00 N ATOM 695 CA ASP A 52 3.348 13.754 7.505 1.00 0.00 C ATOM 696 C ASP A 52 3.432 12.787 6.378 1.00 0.00 C ATOM 697 O ASP A 52 2.503 12.027 6.139 1.00 0.00 O ATOM 698 CB ASP A 52 3.031 15.142 6.958 1.00 0.00 C ATOM 699 CG ASP A 52 2.496 16.084 7.997 1.00 0.00 C ATOM 700 OD1 ASP A 52 1.392 15.826 8.534 1.00 0.00 O ATOM 701 OD2 ASP A 52 3.177 17.089 8.310 1.00 0.00 O ATOM 0 H ASP A 52 5.171 14.588 8.073 1.00 0.00 H new ATOM 0 HA ASP A 52 2.552 13.458 8.188 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.935 15.568 6.523 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.303 15.049 6.153 1.00 0.00 H new ATOM 706 N PHE A 53 4.574 12.789 5.727 1.00 0.00 N ATOM 707 CA PHE A 53 4.887 11.879 4.652 1.00 0.00 C ATOM 708 C PHE A 53 4.755 10.430 5.161 1.00 0.00 C ATOM 709 O PHE A 53 4.062 9.614 4.575 1.00 0.00 O ATOM 710 CB PHE A 53 6.318 12.157 4.154 1.00 0.00 C ATOM 711 CG PHE A 53 6.824 11.212 3.122 1.00 0.00 C ATOM 712 CD1 PHE A 53 7.492 10.060 3.490 1.00 0.00 C ATOM 713 CD2 PHE A 53 6.640 11.473 1.791 1.00 0.00 C ATOM 714 CE1 PHE A 53 7.955 9.191 2.543 1.00 0.00 C ATOM 715 CE2 PHE A 53 7.105 10.609 0.838 1.00 0.00 C ATOM 716 CZ PHE A 53 7.761 9.468 1.209 1.00 0.00 C ATOM 0 H PHE A 53 5.329 13.441 5.938 1.00 0.00 H new ATOM 0 HA PHE A 53 4.195 12.021 3.822 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.354 13.168 3.747 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.994 12.133 5.009 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.650 9.844 4.536 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.122 12.371 1.490 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.471 8.290 2.840 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.954 10.828 -0.209 1.00 0.00 H new ATOM 0 HZ PHE A 53 8.126 8.785 0.456 1.00 0.00 H new ATOM 726 N LYS A 54 5.409 10.166 6.271 1.00 0.00 N ATOM 727 CA LYS A 54 5.402 8.876 6.936 1.00 0.00 C ATOM 728 C LYS A 54 4.000 8.466 7.340 1.00 0.00 C ATOM 729 O LYS A 54 3.590 7.326 7.104 1.00 0.00 O ATOM 730 CB LYS A 54 6.330 8.942 8.159 1.00 0.00 C ATOM 731 CG LYS A 54 7.812 8.981 7.780 1.00 0.00 C ATOM 732 CD LYS A 54 8.696 9.475 8.920 1.00 0.00 C ATOM 733 CE LYS A 54 8.585 8.632 10.180 1.00 0.00 C ATOM 734 NZ LYS A 54 9.424 9.182 11.262 1.00 0.00 N ATOM 0 H LYS A 54 5.978 10.862 6.752 1.00 0.00 H new ATOM 0 HA LYS A 54 5.765 8.117 6.243 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.087 9.828 8.746 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.146 8.077 8.796 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.133 7.983 7.482 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.945 9.630 6.915 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.734 9.483 8.588 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.429 10.505 9.156 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.545 8.594 10.505 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.889 7.608 9.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.984 8.975 12.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.368 8.747 11.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.512 10.212 11.144 1.00 0.00 H new ATOM 748 N HIS A 55 3.241 9.418 7.880 1.00 0.00 N ATOM 749 CA HIS A 55 1.863 9.166 8.324 1.00 0.00 C ATOM 750 C HIS A 55 0.999 8.809 7.141 1.00 0.00 C ATOM 751 O HIS A 55 0.226 7.860 7.188 1.00 0.00 O ATOM 752 CB HIS A 55 1.284 10.406 9.018 1.00 0.00 C ATOM 753 CG HIS A 55 -0.152 10.268 9.511 1.00 0.00 C ATOM 754 ND1 HIS A 55 -0.486 9.681 10.708 1.00 0.00 N ATOM 755 CD2 HIS A 55 -1.334 10.668 8.952 1.00 0.00 C ATOM 756 CE1 HIS A 55 -1.788 9.715 10.877 1.00 0.00 C ATOM 757 NE2 HIS A 55 -2.333 10.311 9.827 1.00 0.00 N ATOM 0 H HIS A 55 3.556 10.378 8.023 1.00 0.00 H new ATOM 0 HA HIS A 55 1.877 8.337 9.032 1.00 0.00 H new ATOM 0 HB2 HIS A 55 1.920 10.656 9.868 1.00 0.00 H new ATOM 0 HB3 HIS A 55 1.333 11.246 8.325 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -1.459 11.169 8.004 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -2.324 9.323 11.729 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -3.330 10.478 9.690 1.00 0.00 H new ATOM 765 N LEU A 56 1.120 9.567 6.107 1.00 0.00 N ATOM 766 CA LEU A 56 0.330 9.342 4.951 1.00 0.00 C ATOM 767 C LEU A 56 0.720 8.045 4.269 1.00 0.00 C ATOM 768 O LEU A 56 -0.156 7.240 3.960 1.00 0.00 O ATOM 769 CB LEU A 56 0.434 10.492 3.966 1.00 0.00 C ATOM 770 CG LEU A 56 -0.866 11.044 3.385 1.00 0.00 C ATOM 771 CD1 LEU A 56 -0.633 11.668 2.035 1.00 0.00 C ATOM 772 CD2 LEU A 56 -2.025 10.060 3.399 1.00 0.00 C ATOM 0 H LEU A 56 1.765 10.354 6.040 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.706 9.270 5.284 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.956 11.311 4.460 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.062 10.168 3.136 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.191 11.835 4.061 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.575 12.053 1.645 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.081 12.486 2.131 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.236 10.918 1.351 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.908 10.532 2.969 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.762 9.180 2.812 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.236 9.761 4.426 1.00 0.00 H new ATOM 784 N ALA A 57 2.028 7.813 4.077 1.00 0.00 N ATOM 785 CA ALA A 57 2.503 6.597 3.415 1.00 0.00 C ATOM 786 C ALA A 57 1.975 5.367 4.128 1.00 0.00 C ATOM 787 O ALA A 57 1.447 4.431 3.489 1.00 0.00 O ATOM 788 CB ALA A 57 4.020 6.562 3.323 1.00 0.00 C ATOM 0 H ALA A 57 2.769 8.450 4.370 1.00 0.00 H new ATOM 0 HA ALA A 57 2.118 6.601 2.395 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.333 5.644 2.826 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.370 7.422 2.752 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.446 6.595 4.326 1.00 0.00 H new ATOM 794 N ARG A 58 2.024 5.404 5.448 1.00 0.00 N ATOM 795 CA ARG A 58 1.570 4.256 6.233 1.00 0.00 C ATOM 796 C ARG A 58 0.049 4.093 6.126 1.00 0.00 C ATOM 797 O ARG A 58 -0.456 2.962 5.937 1.00 0.00 O ATOM 798 CB ARG A 58 2.044 4.306 7.707 1.00 0.00 C ATOM 799 CG ARG A 58 1.535 5.471 8.520 1.00 0.00 C ATOM 800 CD ARG A 58 2.036 5.426 9.949 1.00 0.00 C ATOM 801 NE ARG A 58 1.520 4.263 10.679 1.00 0.00 N ATOM 802 CZ ARG A 58 1.484 4.150 12.012 1.00 0.00 C ATOM 803 NH1 ARG A 58 2.017 5.090 12.785 1.00 0.00 N ATOM 804 NH2 ARG A 58 0.926 3.087 12.567 1.00 0.00 N ATOM 0 H ARG A 58 2.365 6.195 5.995 1.00 0.00 H new ATOM 0 HA ARG A 58 2.038 3.370 5.803 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.738 3.383 8.199 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.134 4.328 7.718 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.851 6.404 8.054 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.445 5.467 8.517 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.126 5.400 9.950 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.739 6.339 10.466 1.00 0.00 H new ATOM 0 HE ARG A 58 1.162 3.482 10.129 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.459 5.907 12.363 1.00 0.00 H new ATOM 0 HH12 ARG A 58 1.984 4.995 13.800 1.00 0.00 H new ATOM 0 HH21 ARG A 58 0.525 2.356 11.979 1.00 0.00 H new ATOM 0 HH22 ARG A 58 0.897 2.998 13.583 1.00 0.00 H new ATOM 818 N LYS A 59 -0.665 5.222 6.186 1.00 0.00 N ATOM 819 CA LYS A 59 -2.111 5.240 6.067 1.00 0.00 C ATOM 820 C LYS A 59 -2.558 4.645 4.729 1.00 0.00 C ATOM 821 O LYS A 59 -3.445 3.797 4.679 1.00 0.00 O ATOM 822 CB LYS A 59 -2.654 6.677 6.160 1.00 0.00 C ATOM 823 CG LYS A 59 -4.139 6.738 5.874 1.00 0.00 C ATOM 824 CD LYS A 59 -4.660 8.135 5.641 1.00 0.00 C ATOM 825 CE LYS A 59 -6.058 8.026 5.081 1.00 0.00 C ATOM 826 NZ LYS A 59 -6.660 9.309 4.725 1.00 0.00 N ATOM 0 H LYS A 59 -0.249 6.144 6.319 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.506 4.642 6.888 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.459 7.075 7.156 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.122 7.313 5.453 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.355 6.129 4.996 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.679 6.294 6.711 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.666 8.699 6.573 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.013 8.672 4.948 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.035 7.390 4.196 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.694 7.529 5.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -7.396 9.159 4.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -7.085 9.740 5.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.928 9.942 4.344 1.00 0.00 H new ATOM 840 N LEU A 60 -1.938 5.100 3.656 1.00 0.00 N ATOM 841 CA LEU A 60 -2.308 4.693 2.302 1.00 0.00 C ATOM 842 C LEU A 60 -2.045 3.239 2.097 1.00 0.00 C ATOM 843 O LEU A 60 -2.873 2.534 1.515 1.00 0.00 O ATOM 844 CB LEU A 60 -1.570 5.550 1.306 1.00 0.00 C ATOM 845 CG LEU A 60 -1.896 7.011 1.480 1.00 0.00 C ATOM 846 CD1 LEU A 60 -0.846 7.903 0.853 1.00 0.00 C ATOM 847 CD2 LEU A 60 -3.266 7.309 0.928 1.00 0.00 C ATOM 0 H LEU A 60 -1.163 5.762 3.692 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.378 4.841 2.153 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.497 5.400 1.422 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.828 5.237 0.294 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.897 7.228 2.548 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.120 8.947 1.001 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.120 7.711 1.320 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.781 7.693 -0.215 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.489 8.368 1.060 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.292 7.062 -0.133 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.009 6.713 1.458 1.00 0.00 H new ATOM 859 N THR A 61 -0.912 2.784 2.624 1.00 0.00 N ATOM 860 CA THR A 61 -0.568 1.373 2.594 1.00 0.00 C ATOM 861 C THR A 61 -1.667 0.588 3.258 1.00 0.00 C ATOM 862 O THR A 61 -2.137 -0.428 2.754 1.00 0.00 O ATOM 863 CB THR A 61 0.757 1.114 3.359 1.00 0.00 C ATOM 864 OG1 THR A 61 1.812 1.897 2.785 1.00 0.00 O ATOM 865 CG2 THR A 61 1.139 -0.361 3.299 1.00 0.00 C ATOM 0 H THR A 61 -0.217 3.377 3.077 1.00 0.00 H new ATOM 0 HA THR A 61 -0.445 1.065 1.556 1.00 0.00 H new ATOM 0 HB THR A 61 0.609 1.398 4.401 1.00 0.00 H new ATOM 0 HG1 THR A 61 1.901 2.739 3.279 1.00 0.00 H new ATOM 0 HG21 THR A 61 2.071 -0.518 3.842 1.00 0.00 H new ATOM 0 HG22 THR A 61 0.349 -0.960 3.753 1.00 0.00 H new ATOM 0 HG23 THR A 61 1.270 -0.661 2.259 1.00 0.00 H new ATOM 873 N HIS A 62 -2.132 1.133 4.348 1.00 0.00 N ATOM 874 CA HIS A 62 -3.131 0.477 5.152 1.00 0.00 C ATOM 875 C HIS A 62 -4.515 0.513 4.458 1.00 0.00 C ATOM 876 O HIS A 62 -5.323 -0.405 4.634 1.00 0.00 O ATOM 877 CB HIS A 62 -3.161 1.116 6.548 1.00 0.00 C ATOM 878 CG HIS A 62 -4.041 0.456 7.570 1.00 0.00 C ATOM 879 ND1 HIS A 62 -3.582 -0.510 8.437 1.00 0.00 N ATOM 880 CD2 HIS A 62 -5.342 0.655 7.891 1.00 0.00 C ATOM 881 CE1 HIS A 62 -4.540 -0.883 9.240 1.00 0.00 C ATOM 882 NE2 HIS A 62 -5.630 -0.191 8.936 1.00 0.00 N ATOM 0 H HIS A 62 -1.832 2.040 4.705 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.873 -0.576 5.266 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.143 1.135 6.936 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.481 2.153 6.442 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -6.023 1.346 7.417 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -4.459 -1.627 10.018 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -6.534 -0.273 9.401 1.00 0.00 H new ATOM 890 N GLY A 63 -4.774 1.544 3.675 1.00 0.00 N ATOM 891 CA GLY A 63 -6.050 1.662 2.991 1.00 0.00 C ATOM 892 C GLY A 63 -6.145 0.777 1.765 1.00 0.00 C ATOM 893 O GLY A 63 -7.184 0.167 1.535 1.00 0.00 O ATOM 0 H GLY A 63 -4.122 2.308 3.497 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.852 1.404 3.682 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.204 2.700 2.697 1.00 0.00 H new ATOM 897 N VAL A 64 -5.047 0.667 0.996 1.00 0.00 N ATOM 898 CA VAL A 64 -5.025 -0.222 -0.200 1.00 0.00 C ATOM 899 C VAL A 64 -5.214 -1.641 0.283 1.00 0.00 C ATOM 900 O VAL A 64 -6.028 -2.391 -0.245 1.00 0.00 O ATOM 901 CB VAL A 64 -3.675 -0.120 -1.001 1.00 0.00 C ATOM 902 CG1 VAL A 64 -3.614 -1.141 -2.163 1.00 0.00 C ATOM 903 CG2 VAL A 64 -3.484 1.289 -1.542 1.00 0.00 C ATOM 0 H VAL A 64 -4.175 1.168 1.168 1.00 0.00 H new ATOM 0 HA VAL A 64 -5.820 0.086 -0.879 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.868 -0.355 -0.306 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.665 -1.036 -2.690 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.698 -2.152 -1.764 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.436 -0.955 -2.855 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.545 1.343 -2.094 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.311 1.539 -2.207 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.459 1.997 -0.713 1.00 0.00 H new ATOM 913 N MET A 65 -4.569 -1.896 1.394 1.00 0.00 N ATOM 914 CA MET A 65 -4.550 -3.181 2.060 1.00 0.00 C ATOM 915 C MET A 65 -5.960 -3.593 2.459 1.00 0.00 C ATOM 916 O MET A 65 -6.401 -4.694 2.169 1.00 0.00 O ATOM 917 CB MET A 65 -3.652 -3.086 3.278 1.00 0.00 C ATOM 918 CG MET A 65 -3.648 -4.274 4.176 1.00 0.00 C ATOM 919 SD MET A 65 -2.542 -4.007 5.559 1.00 0.00 S ATOM 920 CE MET A 65 -3.007 -5.377 6.552 1.00 0.00 C ATOM 0 H MET A 65 -4.020 -1.188 1.881 1.00 0.00 H new ATOM 0 HA MET A 65 -4.162 -3.942 1.383 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.631 -2.906 2.940 1.00 0.00 H new ATOM 0 HB3 MET A 65 -3.953 -2.215 3.860 1.00 0.00 H new ATOM 0 HG2 MET A 65 -4.657 -4.466 4.541 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.337 -5.158 3.619 1.00 0.00 H new ATOM 0 HE1 MET A 65 -3.346 -5.022 7.525 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.814 -5.923 6.063 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.150 -6.037 6.685 1.00 0.00 H new ATOM 930 N ASN A 66 -6.657 -2.686 3.097 1.00 0.00 N ATOM 931 CA ASN A 66 -8.011 -2.920 3.554 1.00 0.00 C ATOM 932 C ASN A 66 -8.980 -3.110 2.404 1.00 0.00 C ATOM 933 O ASN A 66 -9.816 -4.030 2.426 1.00 0.00 O ATOM 934 CB ASN A 66 -8.458 -1.807 4.496 1.00 0.00 C ATOM 935 CG ASN A 66 -8.179 -2.117 5.941 1.00 0.00 C ATOM 936 OD1 ASN A 66 -9.007 -2.691 6.638 1.00 0.00 O ATOM 937 ND2 ASN A 66 -7.019 -1.754 6.403 1.00 0.00 N ATOM 0 H ASN A 66 -6.301 -1.756 3.317 1.00 0.00 H new ATOM 0 HA ASN A 66 -8.014 -3.856 4.112 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.951 -0.882 4.224 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -9.526 -1.635 4.366 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -6.774 -1.946 7.375 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.354 -1.278 5.794 1.00 0.00 H new ATOM 944 N LYS A 67 -8.846 -2.293 1.386 1.00 0.00 N ATOM 945 CA LYS A 67 -9.715 -2.374 0.231 1.00 0.00 C ATOM 946 C LYS A 67 -9.543 -3.701 -0.499 1.00 0.00 C ATOM 947 O LYS A 67 -10.534 -4.376 -0.842 1.00 0.00 O ATOM 948 CB LYS A 67 -9.513 -1.179 -0.705 1.00 0.00 C ATOM 949 CG LYS A 67 -9.910 0.153 -0.073 1.00 0.00 C ATOM 950 CD LYS A 67 -9.631 1.325 -0.999 1.00 0.00 C ATOM 951 CE LYS A 67 -10.017 2.655 -0.355 1.00 0.00 C ATOM 952 NZ LYS A 67 -11.467 2.741 -0.060 1.00 0.00 N ATOM 0 H LYS A 67 -8.139 -1.559 1.332 1.00 0.00 H new ATOM 0 HA LYS A 67 -10.744 -2.332 0.587 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.466 -1.134 -1.005 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.098 -1.333 -1.612 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.970 0.134 0.179 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.363 0.289 0.860 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.573 1.340 -1.259 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.186 1.195 -1.928 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.453 2.785 0.569 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.735 3.472 -1.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.711 3.718 0.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.010 2.460 -0.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.699 2.105 0.729 1.00 0.00 H new ATOM 966 N GLU A 68 -8.321 -4.132 -0.679 1.00 0.00 N ATOM 967 CA GLU A 68 -8.133 -5.351 -1.351 1.00 0.00 C ATOM 968 C GLU A 68 -8.463 -6.525 -0.485 1.00 0.00 C ATOM 969 O GLU A 68 -9.056 -7.457 -0.946 1.00 0.00 O ATOM 970 CB GLU A 68 -6.815 -5.433 -2.028 1.00 0.00 C ATOM 971 CG GLU A 68 -5.591 -5.256 -1.176 1.00 0.00 C ATOM 972 CD GLU A 68 -4.402 -5.222 -2.060 1.00 0.00 C ATOM 973 OE1 GLU A 68 -4.245 -4.215 -2.794 1.00 0.00 O ATOM 974 OE2 GLU A 68 -3.677 -6.233 -2.124 1.00 0.00 O ATOM 0 H GLU A 68 -7.473 -3.657 -0.371 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.856 -5.389 -2.166 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.747 -6.404 -2.518 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -6.792 -4.677 -2.813 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.661 -4.333 -0.600 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.507 -6.073 -0.460 1.00 0.00 H new ATOM 981 N LEU A 69 -8.144 -6.462 0.781 1.00 0.00 N ATOM 982 CA LEU A 69 -8.585 -7.496 1.711 1.00 0.00 C ATOM 983 C LEU A 69 -10.099 -7.600 1.785 1.00 0.00 C ATOM 984 O LEU A 69 -10.621 -8.667 2.086 1.00 0.00 O ATOM 985 CB LEU A 69 -8.007 -7.304 3.111 1.00 0.00 C ATOM 986 CG LEU A 69 -6.546 -7.672 3.291 1.00 0.00 C ATOM 987 CD1 LEU A 69 -6.067 -7.295 4.681 1.00 0.00 C ATOM 988 CD2 LEU A 69 -6.356 -9.159 3.050 1.00 0.00 C ATOM 0 H LEU A 69 -7.586 -5.718 1.200 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.199 -8.433 1.310 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.134 -6.259 3.393 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.598 -7.897 3.809 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.952 -7.117 2.565 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.017 -7.567 4.790 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.181 -6.221 4.826 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.659 -7.826 5.426 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.305 -9.417 3.181 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.959 -9.723 3.761 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.667 -9.406 2.035 1.00 0.00 H new ATOM 1000 N LYS A 70 -10.818 -6.525 1.504 1.00 0.00 N ATOM 1001 CA LYS A 70 -12.254 -6.616 1.544 1.00 0.00 C ATOM 1002 C LYS A 70 -12.817 -7.098 0.214 1.00 0.00 C ATOM 1003 O LYS A 70 -13.925 -7.615 0.156 1.00 0.00 O ATOM 1004 CB LYS A 70 -12.906 -5.306 2.028 1.00 0.00 C ATOM 1005 CG LYS A 70 -12.925 -4.182 1.041 1.00 0.00 C ATOM 1006 CD LYS A 70 -13.471 -2.872 1.598 1.00 0.00 C ATOM 1007 CE LYS A 70 -14.964 -2.904 2.024 1.00 0.00 C ATOM 1008 NZ LYS A 70 -15.226 -3.650 3.289 1.00 0.00 N ATOM 0 H LYS A 70 -10.440 -5.611 1.254 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.513 -7.371 2.287 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -13.933 -5.522 2.324 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -12.381 -4.970 2.922 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.911 -4.015 0.678 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.527 -4.478 0.182 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.870 -2.584 2.461 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.341 -2.094 0.846 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -15.319 -1.880 2.140 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -15.549 -3.355 1.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -15.690 -4.555 3.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.326 -3.832 3.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.845 -3.084 3.904 1.00 0.00 H new ATOM 1022 N TYR A 71 -12.054 -6.911 -0.864 1.00 0.00 N ATOM 1023 CA TYR A 71 -12.482 -7.384 -2.200 1.00 0.00 C ATOM 1024 C TYR A 71 -11.942 -8.775 -2.543 1.00 0.00 C ATOM 1025 O TYR A 71 -12.597 -9.557 -3.239 1.00 0.00 O ATOM 1026 CB TYR A 71 -12.110 -6.356 -3.287 1.00 0.00 C ATOM 1027 CG TYR A 71 -12.947 -5.085 -3.227 1.00 0.00 C ATOM 1028 CD1 TYR A 71 -13.756 -4.829 -2.140 1.00 0.00 C ATOM 1029 CD2 TYR A 71 -12.948 -4.171 -4.262 1.00 0.00 C ATOM 1030 CE1 TYR A 71 -14.527 -3.729 -2.054 1.00 0.00 C ATOM 1031 CE2 TYR A 71 -13.739 -3.040 -4.199 1.00 0.00 C ATOM 1032 CZ TYR A 71 -14.528 -2.825 -3.083 1.00 0.00 C ATOM 1033 OH TYR A 71 -15.331 -1.711 -3.010 1.00 0.00 O ATOM 0 H TYR A 71 -11.148 -6.443 -0.850 1.00 0.00 H new ATOM 0 HA TYR A 71 -13.567 -7.480 -2.167 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -11.057 -6.094 -3.184 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -12.230 -6.816 -4.268 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -13.772 -5.539 -1.326 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -12.325 -4.342 -5.128 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -15.140 -3.561 -1.181 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -13.741 -2.330 -5.013 1.00 0.00 H new ATOM 0 HH TYR A 71 -15.215 -1.170 -3.819 1.00 0.00 H new ATOM 1043 N CYS A 72 -10.787 -9.083 -2.033 1.00 0.00 N ATOM 1044 CA CYS A 72 -10.137 -10.364 -2.247 1.00 0.00 C ATOM 1045 C CYS A 72 -10.577 -11.356 -1.191 1.00 0.00 C ATOM 1046 O CYS A 72 -10.744 -12.548 -1.463 1.00 0.00 O ATOM 1047 CB CYS A 72 -8.611 -10.185 -2.193 1.00 0.00 C ATOM 1048 SG CYS A 72 -7.922 -9.232 -3.563 1.00 0.00 S ATOM 0 H CYS A 72 -10.251 -8.446 -1.444 1.00 0.00 H new ATOM 0 HA CYS A 72 -10.421 -10.747 -3.227 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -8.348 -9.694 -1.256 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -8.142 -11.169 -2.179 1.00 0.00 H new ATOM 0 HG CYS A 72 -7.263 -10.025 -4.355 1.00 0.00 H new ATOM 1054 N LYS A 73 -10.769 -10.846 0.019 1.00 0.00 N ATOM 1055 CA LYS A 73 -11.174 -11.601 1.216 1.00 0.00 C ATOM 1056 C LYS A 73 -10.065 -12.526 1.736 1.00 0.00 C ATOM 1057 O LYS A 73 -9.818 -12.588 2.933 1.00 0.00 O ATOM 1058 CB LYS A 73 -12.525 -12.341 1.078 1.00 0.00 C ATOM 1059 CG LYS A 73 -13.741 -11.447 0.795 1.00 0.00 C ATOM 1060 CD LYS A 73 -13.976 -11.235 -0.699 1.00 0.00 C ATOM 1061 CE LYS A 73 -15.123 -10.261 -0.970 1.00 0.00 C ATOM 1062 NZ LYS A 73 -16.399 -10.688 -0.363 1.00 0.00 N ATOM 0 H LYS A 73 -10.643 -9.852 0.210 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.341 -10.836 1.975 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.439 -13.072 0.275 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.711 -12.897 1.997 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -14.629 -11.896 1.239 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -13.597 -10.480 1.278 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -13.063 -10.856 -1.159 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -14.196 -12.193 -1.170 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -14.855 -9.277 -0.585 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -15.256 -10.156 -2.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.159 -10.045 -0.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -16.623 -11.656 -0.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -16.316 -10.664 0.673 1.00 0.00 H new ATOM 1076 N ASN A 74 -9.399 -13.215 0.849 1.00 0.00 N ATOM 1077 CA ASN A 74 -8.294 -14.068 1.224 1.00 0.00 C ATOM 1078 C ASN A 74 -6.976 -13.369 0.937 1.00 0.00 C ATOM 1079 O ASN A 74 -6.738 -12.877 -0.167 1.00 0.00 O ATOM 1080 CB ASN A 74 -8.336 -15.459 0.545 1.00 0.00 C ATOM 1081 CG ASN A 74 -8.337 -15.416 -0.972 1.00 0.00 C ATOM 1082 OD1 ASN A 74 -7.286 -15.391 -1.618 1.00 0.00 O ATOM 1083 ND2 ASN A 74 -9.507 -15.443 -1.551 1.00 0.00 N ATOM 0 H ASN A 74 -9.602 -13.204 -0.150 1.00 0.00 H new ATOM 0 HA ASN A 74 -8.386 -14.251 2.295 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -7.476 -16.039 0.879 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -9.228 -15.988 0.882 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -9.572 -15.444 -2.569 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -10.356 -15.463 -0.985 1.00 0.00 H new ATOM 1090 N PRO A 75 -6.116 -13.259 1.944 1.00 0.00 N ATOM 1091 CA PRO A 75 -4.800 -12.628 1.799 1.00 0.00 C ATOM 1092 C PRO A 75 -3.789 -13.425 1.037 1.00 0.00 C ATOM 1093 O PRO A 75 -2.656 -12.999 0.860 1.00 0.00 O ATOM 1094 CB PRO A 75 -4.308 -12.453 3.159 1.00 0.00 C ATOM 1095 CG PRO A 75 -5.082 -13.435 4.013 1.00 0.00 C ATOM 1096 CD PRO A 75 -6.377 -13.680 3.331 1.00 0.00 C ATOM 0 HA PRO A 75 -4.927 -11.708 1.228 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.237 -12.648 3.214 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.464 -11.430 3.502 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.526 -14.365 4.130 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -5.243 -13.032 5.013 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -6.667 -14.729 3.385 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -7.184 -13.102 3.781 1.00 0.00 H new ATOM 1104 N GLU A 76 -4.187 -14.557 0.583 1.00 0.00 N ATOM 1105 CA GLU A 76 -3.377 -15.370 -0.271 1.00 0.00 C ATOM 1106 C GLU A 76 -3.279 -14.693 -1.653 1.00 0.00 C ATOM 1107 O GLU A 76 -2.550 -15.125 -2.539 1.00 0.00 O ATOM 1108 CB GLU A 76 -3.964 -16.784 -0.359 1.00 0.00 C ATOM 1109 CG GLU A 76 -3.031 -17.811 -0.978 1.00 0.00 C ATOM 1110 CD GLU A 76 -3.603 -19.199 -0.945 1.00 0.00 C ATOM 1111 OE1 GLU A 76 -3.822 -19.733 0.158 1.00 0.00 O ATOM 1112 OE2 GLU A 76 -3.852 -19.793 -2.021 1.00 0.00 O ATOM 0 H GLU A 76 -5.101 -14.959 0.794 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.370 -15.467 0.135 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.236 -17.115 0.643 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.884 -16.747 -0.943 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.822 -17.532 -2.011 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.080 -17.800 -0.446 1.00 0.00 H new ATOM 1119 N ASP A 77 -4.003 -13.602 -1.791 1.00 0.00 N ATOM 1120 CA ASP A 77 -3.987 -12.788 -3.007 1.00 0.00 C ATOM 1121 C ASP A 77 -3.558 -11.368 -2.642 1.00 0.00 C ATOM 1122 O ASP A 77 -3.449 -10.479 -3.489 1.00 0.00 O ATOM 1123 CB ASP A 77 -5.357 -12.802 -3.701 1.00 0.00 C ATOM 1124 CG ASP A 77 -5.394 -12.030 -5.022 1.00 0.00 C ATOM 1125 OD1 ASP A 77 -4.665 -12.397 -5.969 1.00 0.00 O ATOM 1126 OD2 ASP A 77 -6.196 -11.077 -5.152 1.00 0.00 O ATOM 0 H ASP A 77 -4.625 -13.246 -1.065 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.273 -13.206 -3.716 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.647 -13.836 -3.888 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -6.100 -12.380 -3.024 1.00 0.00 H new ATOM 1131 N LEU A 78 -3.254 -11.182 -1.374 1.00 0.00 N ATOM 1132 CA LEU A 78 -2.814 -9.934 -0.868 1.00 0.00 C ATOM 1133 C LEU A 78 -1.321 -9.872 -1.094 1.00 0.00 C ATOM 1134 O LEU A 78 -0.520 -10.461 -0.347 1.00 0.00 O ATOM 1135 CB LEU A 78 -3.120 -9.874 0.603 1.00 0.00 C ATOM 1136 CG LEU A 78 -2.707 -8.641 1.316 1.00 0.00 C ATOM 1137 CD1 LEU A 78 -3.612 -7.478 1.012 1.00 0.00 C ATOM 1138 CD2 LEU A 78 -2.557 -8.871 2.779 1.00 0.00 C ATOM 0 H LEU A 78 -3.312 -11.917 -0.669 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.309 -9.098 -1.361 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.195 -9.999 0.733 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.639 -10.725 1.086 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.721 -8.372 0.937 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.269 -6.598 1.557 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.593 -7.272 -0.058 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.630 -7.720 1.317 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.254 -7.943 3.264 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.508 -9.203 3.194 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.799 -9.635 2.951 1.00 0.00 H new ATOM 1150 N GLU A 79 -0.983 -9.241 -2.146 1.00 0.00 N ATOM 1151 CA GLU A 79 0.336 -9.131 -2.627 1.00 0.00 C ATOM 1152 C GLU A 79 0.500 -7.749 -3.171 1.00 0.00 C ATOM 1153 O GLU A 79 -0.427 -7.214 -3.740 1.00 0.00 O ATOM 1154 CB GLU A 79 0.438 -10.098 -3.773 1.00 0.00 C ATOM 1155 CG GLU A 79 1.717 -10.078 -4.530 1.00 0.00 C ATOM 1156 CD GLU A 79 2.884 -10.469 -3.705 1.00 0.00 C ATOM 1157 OE1 GLU A 79 3.465 -9.593 -3.064 1.00 0.00 O ATOM 1158 OE2 GLU A 79 3.262 -11.659 -3.712 1.00 0.00 O ATOM 0 H GLU A 79 -1.662 -8.756 -2.733 1.00 0.00 H new ATOM 0 HA GLU A 79 1.081 -9.331 -1.857 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.283 -11.106 -3.387 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.376 -9.894 -4.468 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.639 -10.753 -5.382 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.881 -9.077 -4.930 1.00 0.00 H new ATOM 1165 N CYS A 80 1.672 -7.201 -3.056 1.00 0.00 N ATOM 1166 CA CYS A 80 1.953 -5.900 -3.623 1.00 0.00 C ATOM 1167 C CYS A 80 2.329 -6.129 -5.055 1.00 0.00 C ATOM 1168 O CYS A 80 3.485 -6.005 -5.465 1.00 0.00 O ATOM 1169 CB CYS A 80 3.065 -5.149 -2.849 1.00 0.00 C ATOM 1170 SG CYS A 80 3.550 -3.555 -3.548 1.00 0.00 S ATOM 0 H CYS A 80 2.460 -7.632 -2.572 1.00 0.00 H new ATOM 0 HA CYS A 80 1.076 -5.257 -3.550 1.00 0.00 H new ATOM 0 HB2 CYS A 80 2.728 -4.991 -1.824 1.00 0.00 H new ATOM 0 HB3 CYS A 80 3.946 -5.789 -2.800 1.00 0.00 H new ATOM 0 HG CYS A 80 3.811 -3.697 -4.814 1.00 0.00 H new ATOM 1176 N ASN A 81 1.359 -6.542 -5.811 1.00 0.00 N ATOM 1177 CA ASN A 81 1.630 -6.937 -7.152 1.00 0.00 C ATOM 1178 C ASN A 81 1.337 -5.792 -8.060 1.00 0.00 C ATOM 1179 O ASN A 81 0.924 -4.756 -7.625 1.00 0.00 O ATOM 1180 CB ASN A 81 0.816 -8.145 -7.592 1.00 0.00 C ATOM 1181 CG ASN A 81 -0.662 -7.806 -7.794 1.00 0.00 C ATOM 1182 OD1 ASN A 81 -1.036 -7.310 -8.766 1.00 0.00 O ATOM 1183 ND2 ASN A 81 -1.460 -8.071 -6.900 1.00 0.00 N ATOM 0 H ASN A 81 0.383 -6.613 -5.523 1.00 0.00 H new ATOM 0 HA ASN A 81 2.680 -7.224 -7.201 1.00 0.00 H new ATOM 0 HB2 ASN A 81 1.227 -8.538 -8.522 1.00 0.00 H new ATOM 0 HB3 ASN A 81 0.907 -8.933 -6.845 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.449 -7.853 -7.018 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.134 -8.510 -6.039 1.00 0.00 H new ATOM 1190 N GLU A 82 1.528 -6.027 -9.304 1.00 0.00 N ATOM 1191 CA GLU A 82 1.271 -5.111 -10.393 1.00 0.00 C ATOM 1192 C GLU A 82 -0.102 -4.452 -10.351 1.00 0.00 C ATOM 1193 O GLU A 82 -0.204 -3.228 -10.408 1.00 0.00 O ATOM 1194 CB GLU A 82 1.422 -5.878 -11.641 1.00 0.00 C ATOM 1195 CG GLU A 82 2.847 -5.928 -12.147 1.00 0.00 C ATOM 1196 CD GLU A 82 3.842 -6.424 -11.136 1.00 0.00 C ATOM 1197 OE1 GLU A 82 3.781 -7.591 -10.733 1.00 0.00 O ATOM 1198 OE2 GLU A 82 4.710 -5.649 -10.723 1.00 0.00 O ATOM 0 H GLU A 82 1.893 -6.922 -9.630 1.00 0.00 H new ATOM 0 HA GLU A 82 1.980 -4.287 -10.317 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.066 -6.895 -11.479 1.00 0.00 H new ATOM 0 HB3 GLU A 82 0.787 -5.437 -12.409 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.886 -6.572 -13.025 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.141 -4.930 -12.470 1.00 0.00 H new ATOM 1205 N ASN A 83 -1.113 -5.277 -10.284 1.00 0.00 N ATOM 1206 CA ASN A 83 -2.509 -4.890 -10.135 1.00 0.00 C ATOM 1207 C ASN A 83 -2.619 -4.014 -8.938 1.00 0.00 C ATOM 1208 O ASN A 83 -3.144 -2.895 -9.011 1.00 0.00 O ATOM 1209 CB ASN A 83 -3.397 -6.139 -9.890 1.00 0.00 C ATOM 1210 CG ASN A 83 -3.400 -7.117 -11.050 1.00 0.00 C ATOM 1211 OD1 ASN A 83 -4.197 -7.003 -11.969 1.00 0.00 O ATOM 1212 ND2 ASN A 83 -2.536 -8.105 -11.001 1.00 0.00 N ATOM 0 H ASN A 83 -0.990 -6.288 -10.333 1.00 0.00 H new ATOM 0 HA ASN A 83 -2.838 -4.382 -11.042 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -3.049 -6.652 -8.994 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -4.420 -5.815 -9.695 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -2.518 -8.804 -11.744 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -1.883 -8.173 -10.220 1.00 0.00 H new ATOM 1219 N VAL A 84 -2.061 -4.494 -7.821 1.00 0.00 N ATOM 1220 CA VAL A 84 -2.115 -3.734 -6.597 1.00 0.00 C ATOM 1221 C VAL A 84 -1.407 -2.395 -6.733 1.00 0.00 C ATOM 1222 O VAL A 84 -1.967 -1.363 -6.351 1.00 0.00 O ATOM 1223 CB VAL A 84 -1.600 -4.546 -5.416 1.00 0.00 C ATOM 1224 CG1 VAL A 84 -1.436 -3.700 -4.181 1.00 0.00 C ATOM 1225 CG2 VAL A 84 -2.568 -5.640 -5.138 1.00 0.00 C ATOM 0 H VAL A 84 -1.578 -5.390 -7.752 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.162 -3.510 -6.394 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.619 -4.946 -5.674 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.067 -4.318 -3.363 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.724 -2.899 -4.380 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.398 -3.269 -3.905 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.215 -6.233 -4.294 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.542 -5.212 -4.899 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.658 -6.278 -6.017 1.00 0.00 H new ATOM 1235 N LYS A 85 -0.220 -2.414 -7.331 1.00 0.00 N ATOM 1236 CA LYS A 85 0.561 -1.202 -7.578 1.00 0.00 C ATOM 1237 C LYS A 85 -0.250 -0.233 -8.362 1.00 0.00 C ATOM 1238 O LYS A 85 -0.373 0.909 -7.980 1.00 0.00 O ATOM 1239 CB LYS A 85 1.828 -1.526 -8.346 1.00 0.00 C ATOM 1240 CG LYS A 85 2.775 -2.393 -7.584 1.00 0.00 C ATOM 1241 CD LYS A 85 3.908 -2.849 -8.450 1.00 0.00 C ATOM 1242 CE LYS A 85 4.661 -3.932 -7.752 1.00 0.00 C ATOM 1243 NZ LYS A 85 5.743 -4.497 -8.587 1.00 0.00 N ATOM 0 H LYS A 85 0.230 -3.269 -7.659 1.00 0.00 H new ATOM 0 HA LYS A 85 0.832 -0.767 -6.616 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.562 -2.023 -9.279 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.331 -0.596 -8.612 1.00 0.00 H new ATOM 0 HG2 LYS A 85 3.167 -1.844 -6.728 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.243 -3.259 -7.191 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.527 -3.213 -9.404 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.572 -2.013 -8.670 1.00 0.00 H new ATOM 0 HE2 LYS A 85 5.087 -3.538 -6.829 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.971 -4.727 -7.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 6.477 -4.906 -7.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.354 -5.239 -9.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.160 -3.744 -9.171 1.00 0.00 H new ATOM 1257 N HIS A 86 -0.867 -0.742 -9.410 1.00 0.00 N ATOM 1258 CA HIS A 86 -1.708 0.046 -10.301 1.00 0.00 C ATOM 1259 C HIS A 86 -2.782 0.765 -9.501 1.00 0.00 C ATOM 1260 O HIS A 86 -2.903 1.995 -9.551 1.00 0.00 O ATOM 1261 CB HIS A 86 -2.338 -0.851 -11.392 1.00 0.00 C ATOM 1262 CG HIS A 86 -3.414 -0.184 -12.216 1.00 0.00 C ATOM 1263 ND1 HIS A 86 -4.658 -0.732 -12.394 1.00 0.00 N ATOM 1264 CD2 HIS A 86 -3.423 0.984 -12.902 1.00 0.00 C ATOM 1265 CE1 HIS A 86 -5.387 0.048 -13.142 1.00 0.00 C ATOM 1266 NE2 HIS A 86 -4.666 1.110 -13.470 1.00 0.00 N ATOM 0 H HIS A 86 -0.800 -1.725 -9.673 1.00 0.00 H new ATOM 0 HA HIS A 86 -1.090 0.793 -10.799 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -1.549 -1.195 -12.060 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -2.760 -1.736 -10.916 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -2.605 1.685 -12.986 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -6.407 -0.140 -13.444 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -4.981 1.890 -14.047 1.00 0.00 H new ATOM 1274 N LYS A 87 -3.496 -0.009 -8.724 1.00 0.00 N ATOM 1275 CA LYS A 87 -4.597 0.471 -7.908 1.00 0.00 C ATOM 1276 C LYS A 87 -4.093 1.497 -6.908 1.00 0.00 C ATOM 1277 O LYS A 87 -4.753 2.498 -6.635 1.00 0.00 O ATOM 1278 CB LYS A 87 -5.278 -0.705 -7.207 1.00 0.00 C ATOM 1279 CG LYS A 87 -6.487 -0.311 -6.400 1.00 0.00 C ATOM 1280 CD LYS A 87 -7.205 -1.497 -5.742 1.00 0.00 C ATOM 1281 CE LYS A 87 -6.452 -2.119 -4.538 1.00 0.00 C ATOM 1282 NZ LYS A 87 -5.319 -3.023 -4.897 1.00 0.00 N ATOM 0 H LYS A 87 -3.330 -1.011 -8.635 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.336 0.957 -8.544 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -5.575 -1.440 -7.955 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -4.557 -1.192 -6.551 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -6.182 0.392 -5.625 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.190 0.213 -7.048 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.189 -1.169 -5.408 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.364 -2.271 -6.493 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.069 -1.312 -3.913 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -7.165 -2.679 -3.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.198 -3.740 -4.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -5.523 -3.493 -5.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -4.445 -2.466 -4.986 1.00 0.00 H new ATOM 1296 N THR A 88 -2.903 1.294 -6.482 1.00 0.00 N ATOM 1297 CA THR A 88 -2.320 2.052 -5.482 1.00 0.00 C ATOM 1298 C THR A 88 -1.915 3.389 -5.972 1.00 0.00 C ATOM 1299 O THR A 88 -2.425 4.364 -5.501 1.00 0.00 O ATOM 1300 CB THR A 88 -1.148 1.311 -4.933 1.00 0.00 C ATOM 1301 OG1 THR A 88 -1.616 0.185 -4.204 1.00 0.00 O ATOM 1302 CG2 THR A 88 -0.283 2.205 -4.105 1.00 0.00 C ATOM 0 H THR A 88 -2.296 0.560 -6.847 1.00 0.00 H new ATOM 0 HA THR A 88 -3.054 2.215 -4.693 1.00 0.00 H new ATOM 0 HB THR A 88 -0.520 0.957 -5.751 1.00 0.00 H new ATOM 0 HG1 THR A 88 -1.910 -0.510 -4.829 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.563 1.637 -3.718 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.083 3.028 -4.719 1.00 0.00 H new ATOM 0 HG23 THR A 88 -0.863 2.603 -3.273 1.00 0.00 H new ATOM 1310 N LYS A 89 -1.048 3.436 -6.942 1.00 0.00 N ATOM 1311 CA LYS A 89 -0.578 4.696 -7.418 1.00 0.00 C ATOM 1312 C LYS A 89 -1.700 5.539 -8.031 1.00 0.00 C ATOM 1313 O LYS A 89 -1.697 6.768 -7.922 1.00 0.00 O ATOM 1314 CB LYS A 89 0.662 4.540 -8.308 1.00 0.00 C ATOM 1315 CG LYS A 89 0.639 3.344 -9.234 1.00 0.00 C ATOM 1316 CD LYS A 89 -0.328 3.456 -10.347 1.00 0.00 C ATOM 1317 CE LYS A 89 0.071 4.544 -11.337 1.00 0.00 C ATOM 1318 NZ LYS A 89 -0.812 4.608 -12.513 1.00 0.00 N ATOM 0 H LYS A 89 -0.657 2.620 -7.413 1.00 0.00 H new ATOM 0 HA LYS A 89 -0.240 5.274 -6.558 1.00 0.00 H new ATOM 0 HB2 LYS A 89 0.776 5.443 -8.908 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.542 4.469 -7.669 1.00 0.00 H new ATOM 0 HG2 LYS A 89 1.637 3.200 -9.648 1.00 0.00 H new ATOM 0 HG3 LYS A 89 0.404 2.453 -8.652 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.397 2.500 -10.866 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -1.318 3.674 -9.947 1.00 0.00 H new ATOM 0 HE2 LYS A 89 0.061 5.509 -10.830 1.00 0.00 H new ATOM 0 HE3 LYS A 89 1.094 4.368 -11.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -0.249 4.832 -13.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -1.283 3.690 -12.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -1.529 5.347 -12.369 1.00 0.00 H new ATOM 1332 N GLU A 90 -2.682 4.856 -8.638 1.00 0.00 N ATOM 1333 CA GLU A 90 -3.884 5.536 -9.142 1.00 0.00 C ATOM 1334 C GLU A 90 -4.687 6.122 -7.985 1.00 0.00 C ATOM 1335 O GLU A 90 -5.113 7.309 -8.034 1.00 0.00 O ATOM 1336 CB GLU A 90 -4.770 4.602 -9.969 1.00 0.00 C ATOM 1337 CG GLU A 90 -4.209 4.250 -11.333 1.00 0.00 C ATOM 1338 CD GLU A 90 -4.068 5.457 -12.229 1.00 0.00 C ATOM 1339 OE1 GLU A 90 -3.007 6.108 -12.203 1.00 0.00 O ATOM 1340 OE2 GLU A 90 -5.010 5.768 -12.993 1.00 0.00 O ATOM 0 H GLU A 90 -2.669 3.848 -8.790 1.00 0.00 H new ATOM 0 HA GLU A 90 -3.548 6.340 -9.797 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.930 3.682 -9.407 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -5.746 5.069 -10.101 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.235 3.777 -11.211 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -4.860 3.519 -11.813 1.00 0.00 H new ATOM 1347 N TYR A 91 -4.798 5.342 -6.901 1.00 0.00 N ATOM 1348 CA TYR A 91 -5.542 5.767 -5.739 1.00 0.00 C ATOM 1349 C TYR A 91 -4.827 6.915 -5.101 1.00 0.00 C ATOM 1350 O TYR A 91 -5.432 7.899 -4.787 1.00 0.00 O ATOM 1351 CB TYR A 91 -5.718 4.611 -4.735 1.00 0.00 C ATOM 1352 CG TYR A 91 -6.028 5.030 -3.311 1.00 0.00 C ATOM 1353 CD1 TYR A 91 -7.216 5.668 -2.972 1.00 0.00 C ATOM 1354 CD2 TYR A 91 -5.104 4.791 -2.308 1.00 0.00 C ATOM 1355 CE1 TYR A 91 -7.468 6.048 -1.665 1.00 0.00 C ATOM 1356 CE2 TYR A 91 -5.342 5.162 -1.013 1.00 0.00 C ATOM 1357 CZ TYR A 91 -6.525 5.789 -0.688 1.00 0.00 C ATOM 1358 OH TYR A 91 -6.761 6.168 0.618 1.00 0.00 O ATOM 0 H TYR A 91 -4.377 4.416 -6.818 1.00 0.00 H new ATOM 0 HA TYR A 91 -6.539 6.081 -6.049 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -6.521 3.964 -5.089 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.806 4.014 -4.730 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -7.951 5.869 -3.737 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -4.174 4.300 -2.554 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -8.394 6.543 -1.411 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -4.605 4.964 -0.248 1.00 0.00 H new ATOM 0 HH TYR A 91 -5.998 5.910 1.176 1.00 0.00 H new ATOM 1368 N ILE A 92 -3.528 6.760 -4.927 1.00 0.00 N ATOM 1369 CA ILE A 92 -2.654 7.784 -4.366 1.00 0.00 C ATOM 1370 C ILE A 92 -2.826 9.101 -5.047 1.00 0.00 C ATOM 1371 O ILE A 92 -3.111 10.086 -4.378 1.00 0.00 O ATOM 1372 CB ILE A 92 -1.178 7.358 -4.454 1.00 0.00 C ATOM 1373 CG1 ILE A 92 -0.918 6.145 -3.566 1.00 0.00 C ATOM 1374 CG2 ILE A 92 -0.240 8.527 -4.117 1.00 0.00 C ATOM 1375 CD1 ILE A 92 -0.657 6.456 -2.153 1.00 0.00 C ATOM 0 H ILE A 92 -3.036 5.902 -5.176 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.939 7.896 -3.320 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.965 7.067 -5.483 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.780 5.480 -3.623 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.065 5.597 -3.966 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.796 8.195 -4.188 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.408 9.343 -4.820 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.441 8.874 -3.104 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.484 5.531 -1.603 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.224 7.093 -2.077 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -1.517 6.975 -1.730 1.00 0.00 H new ATOM 1387 N LYS A 93 -2.658 9.125 -6.356 1.00 0.00 N ATOM 1388 CA LYS A 93 -2.793 10.358 -7.076 1.00 0.00 C ATOM 1389 C LYS A 93 -4.141 10.953 -6.824 1.00 0.00 C ATOM 1390 O LYS A 93 -4.241 12.074 -6.314 1.00 0.00 O ATOM 1391 CB LYS A 93 -2.555 10.191 -8.574 1.00 0.00 C ATOM 1392 CG LYS A 93 -1.131 9.827 -8.937 1.00 0.00 C ATOM 1393 CD LYS A 93 -0.926 9.892 -10.436 1.00 0.00 C ATOM 1394 CE LYS A 93 0.522 9.672 -10.814 1.00 0.00 C ATOM 1395 NZ LYS A 93 0.738 9.848 -12.265 1.00 0.00 N ATOM 0 H LYS A 93 -2.431 8.312 -6.928 1.00 0.00 H new ATOM 0 HA LYS A 93 -2.021 11.034 -6.708 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -3.224 9.419 -8.953 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -2.821 11.120 -9.079 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.439 10.507 -8.441 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -0.904 8.823 -8.577 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.547 9.139 -10.921 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -1.255 10.863 -10.806 1.00 0.00 H new ATOM 0 HE2 LYS A 93 1.152 10.371 -10.264 1.00 0.00 H new ATOM 0 HE3 LYS A 93 0.827 8.668 -10.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 1.741 9.690 -12.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 0.155 9.164 -12.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 0.470 10.814 -12.541 1.00 0.00 H new ATOM 1409 N LYS A 94 -5.164 10.148 -6.990 1.00 0.00 N ATOM 1410 CA LYS A 94 -6.515 10.654 -6.908 1.00 0.00 C ATOM 1411 C LYS A 94 -6.809 11.115 -5.481 1.00 0.00 C ATOM 1412 O LYS A 94 -7.591 12.046 -5.251 1.00 0.00 O ATOM 1413 CB LYS A 94 -7.507 9.589 -7.366 1.00 0.00 C ATOM 1414 CG LYS A 94 -8.935 10.058 -7.476 1.00 0.00 C ATOM 1415 CD LYS A 94 -9.833 8.931 -7.920 1.00 0.00 C ATOM 1416 CE LYS A 94 -11.262 9.386 -8.034 1.00 0.00 C ATOM 1417 NZ LYS A 94 -12.164 8.272 -8.352 1.00 0.00 N ATOM 0 H LYS A 94 -5.089 9.149 -7.181 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.621 11.512 -7.571 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.188 9.210 -8.337 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.467 8.752 -6.669 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -9.273 10.441 -6.513 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.999 10.882 -8.187 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -9.493 8.549 -8.882 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -9.766 8.108 -7.209 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -11.572 9.849 -7.097 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -11.340 10.149 -8.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -13.140 8.625 -8.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -11.883 7.846 -9.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -12.108 7.555 -7.601 1.00 0.00 H new ATOM 1431 N TYR A 95 -6.174 10.464 -4.541 1.00 0.00 N ATOM 1432 CA TYR A 95 -6.288 10.811 -3.183 1.00 0.00 C ATOM 1433 C TYR A 95 -5.642 12.164 -2.901 1.00 0.00 C ATOM 1434 O TYR A 95 -6.253 13.031 -2.310 1.00 0.00 O ATOM 1435 CB TYR A 95 -5.643 9.724 -2.367 1.00 0.00 C ATOM 1436 CG TYR A 95 -5.530 10.056 -0.921 1.00 0.00 C ATOM 1437 CD1 TYR A 95 -6.630 9.970 -0.092 1.00 0.00 C ATOM 1438 CD2 TYR A 95 -4.342 10.500 -0.391 1.00 0.00 C ATOM 1439 CE1 TYR A 95 -6.542 10.303 1.229 1.00 0.00 C ATOM 1440 CE2 TYR A 95 -4.246 10.829 0.922 1.00 0.00 C ATOM 1441 CZ TYR A 95 -5.352 10.727 1.737 1.00 0.00 C ATOM 1442 OH TYR A 95 -5.257 11.031 3.079 1.00 0.00 O ATOM 0 H TYR A 95 -5.559 9.670 -4.719 1.00 0.00 H new ATOM 0 HA TYR A 95 -7.340 10.904 -2.914 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -6.221 8.806 -2.477 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -4.648 9.524 -2.765 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -7.574 9.634 -0.494 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -3.474 10.588 -1.028 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.410 10.231 1.867 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.305 11.170 1.327 1.00 0.00 H new ATOM 0 HH TYR A 95 -6.093 11.444 3.381 1.00 0.00 H new ATOM 1452 N MET A 96 -4.415 12.332 -3.332 1.00 0.00 N ATOM 1453 CA MET A 96 -3.678 13.551 -3.088 1.00 0.00 C ATOM 1454 C MET A 96 -4.358 14.742 -3.741 1.00 0.00 C ATOM 1455 O MET A 96 -4.217 15.878 -3.276 1.00 0.00 O ATOM 1456 CB MET A 96 -2.255 13.440 -3.557 1.00 0.00 C ATOM 1457 CG MET A 96 -1.493 12.244 -3.018 1.00 0.00 C ATOM 1458 SD MET A 96 -1.394 12.233 -1.239 1.00 0.00 S ATOM 1459 CE MET A 96 -0.577 13.786 -0.982 1.00 0.00 C ATOM 0 H MET A 96 -3.899 11.629 -3.861 1.00 0.00 H new ATOM 0 HA MET A 96 -3.666 13.709 -2.010 1.00 0.00 H new ATOM 0 HB2 MET A 96 -2.250 13.394 -4.646 1.00 0.00 H new ATOM 0 HB3 MET A 96 -1.723 14.348 -3.274 1.00 0.00 H new ATOM 0 HG2 MET A 96 -1.977 11.328 -3.356 1.00 0.00 H new ATOM 0 HG3 MET A 96 -0.485 12.244 -3.433 1.00 0.00 H new ATOM 0 HE1 MET A 96 -0.117 13.796 0.006 1.00 0.00 H new ATOM 0 HE2 MET A 96 0.193 13.922 -1.742 1.00 0.00 H new ATOM 0 HE3 MET A 96 -1.304 14.595 -1.053 1.00 0.00 H new ATOM 1469 N GLN A 97 -5.134 14.469 -4.791 1.00 0.00 N ATOM 1470 CA GLN A 97 -5.848 15.526 -5.492 1.00 0.00 C ATOM 1471 C GLN A 97 -6.882 16.190 -4.591 1.00 0.00 C ATOM 1472 O GLN A 97 -7.290 17.319 -4.840 1.00 0.00 O ATOM 1473 CB GLN A 97 -6.531 15.037 -6.775 1.00 0.00 C ATOM 1474 CG GLN A 97 -5.645 14.257 -7.734 1.00 0.00 C ATOM 1475 CD GLN A 97 -4.272 14.857 -7.941 1.00 0.00 C ATOM 1476 OE1 GLN A 97 -4.062 15.707 -8.804 1.00 0.00 O ATOM 1477 NE2 GLN A 97 -3.314 14.355 -7.186 1.00 0.00 N ATOM 0 H GLN A 97 -5.281 13.533 -5.169 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.089 16.256 -5.775 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -7.378 14.409 -6.498 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.935 15.901 -7.303 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -5.531 13.240 -7.359 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -6.147 14.187 -8.699 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -3.536 13.651 -6.482 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -2.352 14.671 -7.306 1.00 0.00 H new ATOM 1486 N LYS A 98 -7.289 15.501 -3.537 1.00 0.00 N ATOM 1487 CA LYS A 98 -8.313 16.036 -2.664 1.00 0.00 C ATOM 1488 C LYS A 98 -7.749 17.087 -1.703 1.00 0.00 C ATOM 1489 O LYS A 98 -8.497 17.896 -1.154 1.00 0.00 O ATOM 1490 CB LYS A 98 -9.057 14.926 -1.874 1.00 0.00 C ATOM 1491 CG LYS A 98 -8.304 14.337 -0.662 1.00 0.00 C ATOM 1492 CD LYS A 98 -9.205 14.308 0.563 1.00 0.00 C ATOM 1493 CE LYS A 98 -9.608 15.724 0.979 1.00 0.00 C ATOM 1494 NZ LYS A 98 -10.793 15.757 1.857 1.00 0.00 N ATOM 0 H LYS A 98 -6.931 14.584 -3.270 1.00 0.00 H new ATOM 0 HA LYS A 98 -9.040 16.522 -3.315 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -10.007 15.331 -1.525 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -9.291 14.113 -2.561 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -7.963 13.328 -0.894 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.416 14.934 -0.453 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.097 13.720 0.349 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.689 13.816 1.387 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.771 16.197 1.492 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.809 16.315 0.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -11.558 16.282 1.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -11.108 14.785 2.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -10.549 16.227 2.752 1.00 0.00 H new ATOM 1508 N PHE A 99 -6.438 17.065 -1.482 1.00 0.00 N ATOM 1509 CA PHE A 99 -5.825 18.023 -0.561 1.00 0.00 C ATOM 1510 C PHE A 99 -5.689 19.381 -1.199 1.00 0.00 C ATOM 1511 O PHE A 99 -5.826 20.414 -0.536 1.00 0.00 O ATOM 1512 CB PHE A 99 -4.461 17.562 -0.039 1.00 0.00 C ATOM 1513 CG PHE A 99 -4.501 16.361 0.846 1.00 0.00 C ATOM 1514 CD1 PHE A 99 -5.184 16.410 2.049 1.00 0.00 C ATOM 1515 CD2 PHE A 99 -3.845 15.190 0.494 1.00 0.00 C ATOM 1516 CE1 PHE A 99 -5.219 15.319 2.877 1.00 0.00 C ATOM 1517 CE2 PHE A 99 -3.886 14.092 1.329 1.00 0.00 C ATOM 1518 CZ PHE A 99 -4.578 14.167 2.517 1.00 0.00 C ATOM 0 H PHE A 99 -5.789 16.409 -1.917 1.00 0.00 H new ATOM 0 HA PHE A 99 -6.499 18.088 0.293 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.816 17.346 -0.891 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -4.001 18.384 0.509 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -5.694 17.317 2.338 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -3.300 15.138 -0.437 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.753 15.369 3.814 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -3.379 13.180 1.052 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.615 13.308 3.170 1.00 0.00 H new ATOM 1528 N GLY A 100 -5.433 19.382 -2.469 1.00 0.00 N ATOM 1529 CA GLY A 100 -5.265 20.591 -3.169 1.00 0.00 C ATOM 1530 C GLY A 100 -3.826 20.838 -3.391 1.00 0.00 C ATOM 1531 O GLY A 100 -3.133 19.995 -3.939 1.00 0.00 O ATOM 0 H GLY A 100 -5.337 18.541 -3.038 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -5.788 20.546 -4.124 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.703 21.414 -2.604 1.00 0.00 H new ATOM 1535 N ALA A 101 -3.361 21.935 -2.923 1.00 0.00 N ATOM 1536 CA ALA A 101 -1.986 22.303 -3.096 1.00 0.00 C ATOM 1537 C ALA A 101 -1.099 21.624 -2.062 1.00 0.00 C ATOM 1538 O ALA A 101 -0.071 21.034 -2.402 1.00 0.00 O ATOM 1539 CB ALA A 101 -1.834 23.810 -3.030 1.00 0.00 C ATOM 0 H ALA A 101 -3.917 22.615 -2.404 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.664 21.963 -4.080 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -0.785 24.076 -3.163 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.428 24.271 -3.819 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -2.179 24.168 -2.060 1.00 0.00 H new ATOM 1545 N VAL A 102 -1.514 21.647 -0.820 1.00 0.00 N ATOM 1546 CA VAL A 102 -0.670 21.122 0.241 1.00 0.00 C ATOM 1547 C VAL A 102 -1.395 19.979 0.908 1.00 0.00 C ATOM 1548 O VAL A 102 -2.626 19.926 0.918 1.00 0.00 O ATOM 1549 CB VAL A 102 -0.319 22.183 1.311 1.00 0.00 C ATOM 1550 CG1 VAL A 102 0.945 21.840 2.063 1.00 0.00 C ATOM 1551 CG2 VAL A 102 -0.282 23.592 0.757 1.00 0.00 C ATOM 0 H VAL A 102 -2.415 22.016 -0.515 1.00 0.00 H new ATOM 0 HA VAL A 102 0.266 20.797 -0.212 1.00 0.00 H new ATOM 0 HB VAL A 102 -1.136 22.160 2.032 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.150 22.614 2.803 1.00 0.00 H new ATOM 0 HG12 VAL A 102 0.820 20.881 2.566 1.00 0.00 H new ATOM 0 HG13 VAL A 102 1.779 21.777 1.364 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -0.031 24.290 1.555 1.00 0.00 H new ATOM 0 HG22 VAL A 102 0.470 23.654 -0.030 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -1.259 23.847 0.346 1.00 0.00 H new ATOM 1561 N TYR A 103 -0.637 19.094 1.461 1.00 0.00 N ATOM 1562 CA TYR A 103 -1.144 17.962 2.139 1.00 0.00 C ATOM 1563 C TYR A 103 -1.565 18.364 3.532 1.00 0.00 C ATOM 1564 O TYR A 103 -0.742 18.596 4.421 1.00 0.00 O ATOM 1565 CB TYR A 103 -0.118 16.807 2.120 1.00 0.00 C ATOM 1566 CG TYR A 103 -0.354 15.693 3.122 1.00 0.00 C ATOM 1567 CD1 TYR A 103 -1.605 15.225 3.391 1.00 0.00 C ATOM 1568 CD2 TYR A 103 0.697 15.136 3.807 1.00 0.00 C ATOM 1569 CE1 TYR A 103 -1.819 14.251 4.323 1.00 0.00 C ATOM 1570 CE2 TYR A 103 0.499 14.140 4.736 1.00 0.00 C ATOM 1571 CZ TYR A 103 -0.759 13.708 4.995 1.00 0.00 C ATOM 1572 OH TYR A 103 -0.972 12.745 5.966 1.00 0.00 O ATOM 0 H TYR A 103 0.382 19.145 1.450 1.00 0.00 H new ATOM 0 HA TYR A 103 -2.028 17.582 1.627 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -0.107 16.373 1.120 1.00 0.00 H new ATOM 0 HB3 TYR A 103 0.873 17.225 2.297 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -2.448 15.635 2.854 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.700 15.487 3.613 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -2.823 13.910 4.529 1.00 0.00 H new ATOM 0 HE2 TYR A 103 1.341 13.706 5.255 1.00 0.00 H new ATOM 0 HH TYR A 103 -0.112 12.466 6.344 1.00 0.00 H new ATOM 1582 N LYS A 104 -2.838 18.524 3.673 1.00 0.00 N ATOM 1583 CA LYS A 104 -3.457 18.841 4.921 1.00 0.00 C ATOM 1584 C LYS A 104 -4.361 17.683 5.362 1.00 0.00 C ATOM 1585 O LYS A 104 -5.533 17.647 5.026 1.00 0.00 O ATOM 1586 CB LYS A 104 -4.230 20.154 4.785 1.00 0.00 C ATOM 1587 CG LYS A 104 -3.311 21.347 4.521 1.00 0.00 C ATOM 1588 CD LYS A 104 -4.028 22.699 4.390 1.00 0.00 C ATOM 1589 CE LYS A 104 -4.873 22.848 3.115 1.00 0.00 C ATOM 1590 NZ LYS A 104 -6.124 22.069 3.138 1.00 0.00 N ATOM 0 H LYS A 104 -3.499 18.436 2.901 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.700 18.977 5.693 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -4.950 20.066 3.971 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -4.800 20.333 5.697 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.585 21.414 5.331 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.750 21.159 3.605 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -4.673 22.840 5.257 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -3.284 23.495 4.413 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -5.114 23.901 2.971 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -4.277 22.537 2.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -6.913 22.670 2.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -6.036 21.252 2.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -6.307 21.734 4.106 1.00 0.00 H new ATOM 1604 N PRO A 105 -3.793 16.695 6.099 1.00 0.00 N ATOM 1605 CA PRO A 105 -4.515 15.462 6.522 1.00 0.00 C ATOM 1606 C PRO A 105 -5.706 15.775 7.414 1.00 0.00 C ATOM 1607 O PRO A 105 -6.677 15.057 7.439 1.00 0.00 O ATOM 1608 CB PRO A 105 -3.472 14.668 7.293 1.00 0.00 C ATOM 1609 CG PRO A 105 -2.422 15.653 7.649 1.00 0.00 C ATOM 1610 CD PRO A 105 -2.411 16.698 6.588 1.00 0.00 C ATOM 0 HA PRO A 105 -4.924 14.923 5.667 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -3.903 14.212 8.184 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -3.064 13.859 6.686 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -2.627 16.097 8.623 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -1.449 15.167 7.719 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -2.127 17.672 6.986 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -1.703 16.459 5.795 1.00 0.00 H new ATOM 1618 N LYS A 106 -5.608 16.859 8.142 1.00 0.00 N ATOM 1619 CA LYS A 106 -6.695 17.376 8.979 1.00 0.00 C ATOM 1620 C LYS A 106 -7.965 17.697 8.178 1.00 0.00 C ATOM 1621 O LYS A 106 -9.028 17.964 8.753 1.00 0.00 O ATOM 1622 CB LYS A 106 -6.203 18.599 9.735 1.00 0.00 C ATOM 1623 CG LYS A 106 -5.551 19.657 8.860 1.00 0.00 C ATOM 1624 CD LYS A 106 -4.956 20.746 9.710 1.00 0.00 C ATOM 1625 CE LYS A 106 -4.175 21.740 8.883 1.00 0.00 C ATOM 1626 NZ LYS A 106 -3.562 22.788 9.724 1.00 0.00 N ATOM 0 H LYS A 106 -4.761 17.427 8.180 1.00 0.00 H new ATOM 0 HA LYS A 106 -6.977 16.593 9.683 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -7.045 19.049 10.262 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -5.487 18.279 10.492 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -4.775 19.202 8.245 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -6.289 20.081 8.179 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -5.751 21.264 10.246 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -4.301 20.304 10.461 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -3.396 21.218 8.326 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -4.836 22.202 8.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -3.034 23.452 9.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -4.307 23.302 10.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -2.912 22.349 10.407 1.00 0.00 H new ATOM 1640 N GLU A 107 -7.829 17.679 6.879 1.00 0.00 N ATOM 1641 CA GLU A 107 -8.901 17.927 5.956 1.00 0.00 C ATOM 1642 C GLU A 107 -8.939 16.805 4.924 1.00 0.00 C ATOM 1643 O GLU A 107 -9.349 17.013 3.791 1.00 0.00 O ATOM 1644 CB GLU A 107 -8.667 19.268 5.269 1.00 0.00 C ATOM 1645 CG GLU A 107 -8.692 20.435 6.225 1.00 0.00 C ATOM 1646 CD GLU A 107 -8.291 21.715 5.586 1.00 0.00 C ATOM 1647 OE1 GLU A 107 -9.154 22.438 5.073 1.00 0.00 O ATOM 1648 OE2 GLU A 107 -7.093 22.048 5.606 1.00 0.00 O ATOM 0 H GLU A 107 -6.939 17.485 6.420 1.00 0.00 H new ATOM 0 HA GLU A 107 -9.854 17.959 6.484 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -7.704 19.245 4.758 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -9.430 19.416 4.505 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -9.696 20.539 6.637 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.024 20.227 7.061 1.00 0.00 H new ATOM 1655 N ASP A 108 -8.528 15.599 5.331 1.00 0.00 N ATOM 1656 CA ASP A 108 -8.499 14.453 4.444 1.00 0.00 C ATOM 1657 C ASP A 108 -9.921 13.850 4.302 1.00 0.00 C ATOM 1658 O ASP A 108 -10.906 14.489 4.653 1.00 0.00 O ATOM 1659 CB ASP A 108 -7.452 13.394 4.899 1.00 0.00 C ATOM 1660 CG ASP A 108 -7.949 12.365 5.880 1.00 0.00 C ATOM 1661 OD1 ASP A 108 -8.011 12.611 7.081 1.00 0.00 O ATOM 1662 OD2 ASP A 108 -8.267 11.266 5.431 1.00 0.00 O ATOM 0 H ASP A 108 -8.210 15.400 6.280 1.00 0.00 H new ATOM 0 HA ASP A 108 -8.178 14.790 3.458 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -7.078 12.876 4.016 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -6.605 13.915 5.345 1.00 0.00 H new ATOM 1667 N THR A 109 -10.022 12.688 3.718 1.00 0.00 N ATOM 1668 CA THR A 109 -11.305 12.055 3.450 1.00 0.00 C ATOM 1669 C THR A 109 -11.778 11.199 4.654 1.00 0.00 C ATOM 1670 O THR A 109 -12.854 10.602 4.600 1.00 0.00 O ATOM 1671 CB THR A 109 -11.204 11.200 2.166 1.00 0.00 C ATOM 1672 OG1 THR A 109 -12.466 10.595 1.825 1.00 0.00 O ATOM 1673 CG2 THR A 109 -10.141 10.137 2.341 1.00 0.00 C ATOM 0 H THR A 109 -9.218 12.142 3.409 1.00 0.00 H new ATOM 0 HA THR A 109 -12.052 12.835 3.299 1.00 0.00 H new ATOM 0 HB THR A 109 -10.927 11.860 1.344 1.00 0.00 H new ATOM 0 HG1 THR A 109 -13.013 10.502 2.633 1.00 0.00 H new ATOM 0 HG21 THR A 109 -10.074 9.537 1.434 1.00 0.00 H new ATOM 0 HG22 THR A 109 -9.179 10.612 2.534 1.00 0.00 H new ATOM 0 HG23 THR A 109 -10.403 9.495 3.182 1.00 0.00 H new TER 1681 THR A 109