USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 704 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 9 CYS SG : rot -167:sc= 0.898 USER MOD Set 1.2: A 81 CYS SG : rot 68:sc= 1.53 USER MOD Set 2.1: A 17 HIS : no HD1:sc= 0.513 K(o=1.3,f=-0.2) USER MOD Set 2.2: A 36 SER OG : rot 106:sc= 0.751 USER MOD Set 3.1: A 22 CYS SG : rot -63:sc= -0.514 USER MOD Set 3.2: A 29 LYS NZ :NH3+ -178:sc= 1.51 (180deg=0.428) USER MOD Set 4.1: A 13 GLN : amide:sc= 2.35 K(o=3.2,f=-8.5!) USER MOD Set 4.2: A 88 GLN : amide:sc= 0.896 K(o=3.2,f=-7.5!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0.682 (180deg=0.623) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 110:sc= -0.608 USER MOD Single : A 10 CYS SG : rot 180:sc= 0.0129 USER MOD Single : A 11 ASN : amide:sc= -1.85 K(o=-1.8,f=-7.6!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 1.2 K(o=1.2,f=-4.6!) USER MOD Single : A 20 MET CE :methyl 177:sc= -0.574 (180deg=-0.595) USER MOD Single : A 30 MET CE :methyl 169:sc= 0 (180deg=-0.138) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 51 ASN : amide:sc= -0.0057 X(o=-0.0057,f=0) USER MOD Single : A 54 TYR OH : rot 30:sc= 0.206 USER MOD Single : A 55 CYS SG : rot 70:sc= -0.478 USER MOD Single : A 57 ASN : amide:sc= 1.17 K(o=1.2,f=-0.1) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= -0.0785 X(o=-0.079,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 178:sc= 0.559 (180deg=0.553) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc=-0.00459 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot -20:sc= 0.0566 USER MOD Single : A 73 SER OG : rot 156:sc= 1.26 USER MOD Single : A 80 GLN : amide:sc= 0.599 K(o=0.6,f=-0.18) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.224 -0.556 -0.970 1.00 0.00 N ATOM 2 CA MET A 1 2.874 -0.253 -2.263 1.00 0.00 C ATOM 3 C MET A 1 4.065 0.664 -2.009 1.00 0.00 C ATOM 4 O MET A 1 3.941 1.675 -1.315 1.00 0.00 O ATOM 5 CB MET A 1 1.904 0.359 -3.294 1.00 0.00 C ATOM 6 CG MET A 1 2.565 0.519 -4.673 1.00 0.00 C ATOM 7 SD MET A 1 3.182 -1.027 -5.402 1.00 0.00 S ATOM 8 CE MET A 1 3.927 -0.373 -6.919 1.00 0.00 C ATOM 0 H1 MET A 1 1.520 -1.309 -1.104 1.00 0.00 H new ATOM 0 H2 MET A 1 2.942 -0.870 -0.286 1.00 0.00 H new ATOM 0 H3 MET A 1 1.753 0.298 -0.610 1.00 0.00 H new ATOM 0 HA MET A 1 3.213 -1.191 -2.703 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.022 -0.275 -3.385 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.562 1.331 -2.939 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.843 0.965 -5.357 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.395 1.220 -4.584 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.358 -1.192 -7.495 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.162 0.126 -7.514 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.709 0.341 -6.662 1.00 0.00 H new ATOM 20 N GLU A 2 5.222 0.314 -2.568 1.00 0.00 N ATOM 21 CA GLU A 2 6.476 1.029 -2.402 1.00 0.00 C ATOM 22 C GLU A 2 7.027 1.284 -3.803 1.00 0.00 C ATOM 23 O GLU A 2 6.672 0.579 -4.756 1.00 0.00 O ATOM 24 CB GLU A 2 7.464 0.211 -1.548 1.00 0.00 C ATOM 25 CG GLU A 2 6.936 -0.144 -0.145 1.00 0.00 C ATOM 26 CD GLU A 2 6.024 -1.389 -0.111 1.00 0.00 C ATOM 27 OE1 GLU A 2 6.529 -2.522 -0.290 1.00 0.00 O ATOM 28 OE2 GLU A 2 4.802 -1.253 0.136 1.00 0.00 O ATOM 0 H GLU A 2 5.310 -0.505 -3.169 1.00 0.00 H new ATOM 0 HA GLU A 2 6.323 1.971 -1.876 1.00 0.00 H new ATOM 0 HB2 GLU A 2 7.709 -0.710 -2.077 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.391 0.775 -1.444 1.00 0.00 H new ATOM 0 HG2 GLU A 2 7.784 -0.310 0.519 1.00 0.00 H new ATOM 0 HG3 GLU A 2 6.384 0.709 0.250 1.00 0.00 H new ATOM 35 N TRP A 3 7.898 2.278 -3.929 1.00 0.00 N ATOM 36 CA TRP A 3 8.370 2.779 -5.207 1.00 0.00 C ATOM 37 C TRP A 3 9.895 2.811 -5.218 1.00 0.00 C ATOM 38 O TRP A 3 10.536 2.718 -4.170 1.00 0.00 O ATOM 39 CB TRP A 3 7.792 4.180 -5.475 1.00 0.00 C ATOM 40 CG TRP A 3 6.328 4.371 -5.206 1.00 0.00 C ATOM 41 CD1 TRP A 3 5.807 5.024 -4.144 1.00 0.00 C ATOM 42 CD2 TRP A 3 5.182 3.938 -6.001 1.00 0.00 C ATOM 43 NE1 TRP A 3 4.429 5.021 -4.215 1.00 0.00 N ATOM 44 CE2 TRP A 3 3.987 4.362 -5.343 1.00 0.00 C ATOM 45 CE3 TRP A 3 5.031 3.240 -7.219 1.00 0.00 C ATOM 46 CZ2 TRP A 3 2.710 4.100 -5.865 1.00 0.00 C ATOM 47 CZ3 TRP A 3 3.756 2.979 -7.756 1.00 0.00 C ATOM 48 CH2 TRP A 3 2.597 3.403 -7.081 1.00 0.00 C ATOM 0 H TRP A 3 8.301 2.765 -3.129 1.00 0.00 H new ATOM 0 HA TRP A 3 8.030 2.114 -6.001 1.00 0.00 H new ATOM 0 HB2 TRP A 3 8.345 4.897 -4.869 1.00 0.00 H new ATOM 0 HB3 TRP A 3 7.981 4.432 -6.519 1.00 0.00 H new ATOM 0 HD1 TRP A 3 6.385 5.482 -3.355 1.00 0.00 H new ATOM 0 HE1 TRP A 3 3.816 5.451 -3.522 1.00 0.00 H new ATOM 0 HE3 TRP A 3 5.909 2.900 -7.748 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 1.826 4.430 -5.339 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 3.667 2.449 -8.693 1.00 0.00 H new ATOM 0 HH2 TRP A 3 1.622 3.194 -7.496 1.00 0.00 H new ATOM 59 N LEU A 4 10.467 2.998 -6.402 1.00 0.00 N ATOM 60 CA LEU A 4 11.885 3.171 -6.644 1.00 0.00 C ATOM 61 C LEU A 4 12.054 4.542 -7.286 1.00 0.00 C ATOM 62 O LEU A 4 11.306 4.912 -8.186 1.00 0.00 O ATOM 63 CB LEU A 4 12.359 2.042 -7.570 1.00 0.00 C ATOM 64 CG LEU A 4 13.818 2.110 -8.055 1.00 0.00 C ATOM 65 CD1 LEU A 4 14.816 1.891 -6.916 1.00 0.00 C ATOM 66 CD2 LEU A 4 14.043 1.026 -9.117 1.00 0.00 C ATOM 0 H LEU A 4 9.920 3.034 -7.262 1.00 0.00 H new ATOM 0 HA LEU A 4 12.480 3.123 -5.732 1.00 0.00 H new ATOM 0 HB2 LEU A 4 12.217 1.094 -7.051 1.00 0.00 H new ATOM 0 HB3 LEU A 4 11.710 2.026 -8.446 1.00 0.00 H new ATOM 0 HG LEU A 4 13.984 3.106 -8.464 1.00 0.00 H new ATOM 0 HD11 LEU A 4 15.832 1.948 -7.307 1.00 0.00 H new ATOM 0 HD12 LEU A 4 14.676 2.660 -6.156 1.00 0.00 H new ATOM 0 HD13 LEU A 4 14.652 0.909 -6.473 1.00 0.00 H new ATOM 0 HD21 LEU A 4 15.075 1.067 -9.466 1.00 0.00 H new ATOM 0 HD22 LEU A 4 13.846 0.046 -8.684 1.00 0.00 H new ATOM 0 HD23 LEU A 4 13.369 1.194 -9.957 1.00 0.00 H new ATOM 78 N VAL A 5 13.033 5.291 -6.813 1.00 0.00 N ATOM 79 CA VAL A 5 13.519 6.525 -7.418 1.00 0.00 C ATOM 80 C VAL A 5 14.485 6.057 -8.490 1.00 0.00 C ATOM 81 O VAL A 5 15.544 5.517 -8.141 1.00 0.00 O ATOM 82 CB VAL A 5 14.244 7.400 -6.374 1.00 0.00 C ATOM 83 CG1 VAL A 5 14.673 8.739 -6.983 1.00 0.00 C ATOM 84 CG2 VAL A 5 13.348 7.662 -5.153 1.00 0.00 C ATOM 0 H VAL A 5 13.535 5.048 -5.959 1.00 0.00 H new ATOM 0 HA VAL A 5 12.712 7.138 -7.820 1.00 0.00 H new ATOM 0 HB VAL A 5 15.130 6.853 -6.053 1.00 0.00 H new ATOM 0 HG11 VAL A 5 15.182 9.337 -6.226 1.00 0.00 H new ATOM 0 HG12 VAL A 5 15.350 8.559 -7.818 1.00 0.00 H new ATOM 0 HG13 VAL A 5 13.793 9.276 -7.338 1.00 0.00 H new ATOM 0 HG21 VAL A 5 13.885 8.281 -4.434 1.00 0.00 H new ATOM 0 HG22 VAL A 5 12.442 8.178 -5.471 1.00 0.00 H new ATOM 0 HG23 VAL A 5 13.081 6.713 -4.687 1.00 0.00 H new ATOM 94 N LYS A 6 14.095 6.257 -9.757 1.00 0.00 N ATOM 95 CA LYS A 6 14.853 5.922 -10.967 1.00 0.00 C ATOM 96 C LYS A 6 15.523 7.155 -11.595 1.00 0.00 C ATOM 97 O LYS A 6 16.459 6.988 -12.370 1.00 0.00 O ATOM 98 CB LYS A 6 13.920 5.245 -11.988 1.00 0.00 C ATOM 99 CG LYS A 6 13.914 3.714 -11.852 1.00 0.00 C ATOM 100 CD LYS A 6 14.915 2.985 -12.769 1.00 0.00 C ATOM 101 CE LYS A 6 16.356 3.528 -12.713 1.00 0.00 C ATOM 102 NZ LYS A 6 17.288 2.730 -13.549 1.00 0.00 N ATOM 0 H LYS A 6 13.193 6.680 -9.975 1.00 0.00 H new ATOM 0 HA LYS A 6 15.650 5.236 -10.681 1.00 0.00 H new ATOM 0 HB2 LYS A 6 12.906 5.623 -11.856 1.00 0.00 H new ATOM 0 HB3 LYS A 6 14.232 5.516 -12.997 1.00 0.00 H new ATOM 0 HG2 LYS A 6 14.133 3.453 -10.817 1.00 0.00 H new ATOM 0 HG3 LYS A 6 12.910 3.347 -12.067 1.00 0.00 H new ATOM 0 HD2 LYS A 6 14.929 1.929 -12.501 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.557 3.048 -13.797 1.00 0.00 H new ATOM 0 HE2 LYS A 6 16.365 4.565 -13.050 1.00 0.00 H new ATOM 0 HE3 LYS A 6 16.704 3.525 -11.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 18.245 3.131 -13.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 17.300 1.746 -13.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 16.972 2.753 -14.540 1.00 0.00 H new ATOM 116 N LYS A 7 15.079 8.369 -11.259 1.00 0.00 N ATOM 117 CA LYS A 7 15.710 9.656 -11.576 1.00 0.00 C ATOM 118 C LYS A 7 15.377 10.580 -10.408 1.00 0.00 C ATOM 119 O LYS A 7 14.343 10.380 -9.768 1.00 0.00 O ATOM 120 CB LYS A 7 15.188 10.286 -12.881 1.00 0.00 C ATOM 121 CG LYS A 7 15.742 9.623 -14.148 1.00 0.00 C ATOM 122 CD LYS A 7 15.137 10.269 -15.402 1.00 0.00 C ATOM 123 CE LYS A 7 15.545 9.530 -16.684 1.00 0.00 C ATOM 124 NZ LYS A 7 16.979 9.706 -17.031 1.00 0.00 N ATOM 0 H LYS A 7 14.217 8.488 -10.726 1.00 0.00 H new ATOM 0 HA LYS A 7 16.780 9.507 -11.721 1.00 0.00 H new ATOM 0 HB2 LYS A 7 14.100 10.224 -12.895 1.00 0.00 H new ATOM 0 HB3 LYS A 7 15.447 11.345 -12.892 1.00 0.00 H new ATOM 0 HG2 LYS A 7 16.828 9.718 -14.170 1.00 0.00 H new ATOM 0 HG3 LYS A 7 15.516 8.557 -14.136 1.00 0.00 H new ATOM 0 HD2 LYS A 7 14.050 10.276 -15.318 1.00 0.00 H new ATOM 0 HD3 LYS A 7 15.458 11.309 -15.465 1.00 0.00 H new ATOM 0 HE2 LYS A 7 15.335 8.467 -16.565 1.00 0.00 H new ATOM 0 HE3 LYS A 7 14.931 9.886 -17.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 17.191 9.184 -17.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 17.180 10.716 -17.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 17.571 9.341 -16.257 1.00 0.00 H new ATOM 138 N SER A 8 16.200 11.590 -10.166 1.00 0.00 N ATOM 139 CA SER A 8 16.027 12.591 -9.123 1.00 0.00 C ATOM 140 C SER A 8 16.588 13.913 -9.661 1.00 0.00 C ATOM 141 O SER A 8 17.558 13.908 -10.428 1.00 0.00 O ATOM 142 CB SER A 8 16.757 12.120 -7.855 1.00 0.00 C ATOM 143 OG SER A 8 18.008 11.516 -8.159 1.00 0.00 O ATOM 0 H SER A 8 17.045 11.741 -10.717 1.00 0.00 H new ATOM 0 HA SER A 8 14.979 12.735 -8.859 1.00 0.00 H new ATOM 0 HB2 SER A 8 16.915 12.969 -7.190 1.00 0.00 H new ATOM 0 HB3 SER A 8 16.130 11.408 -7.318 1.00 0.00 H new ATOM 0 HG SER A 8 18.735 12.101 -7.859 1.00 0.00 H new ATOM 149 N CYS A 9 15.991 15.037 -9.262 1.00 0.00 N ATOM 150 CA CYS A 9 16.265 16.364 -9.800 1.00 0.00 C ATOM 151 C CYS A 9 16.449 17.325 -8.625 1.00 0.00 C ATOM 152 O CYS A 9 15.491 17.609 -7.899 1.00 0.00 O ATOM 153 CB CYS A 9 15.106 16.814 -10.706 1.00 0.00 C ATOM 154 SG CYS A 9 14.842 15.642 -12.074 1.00 0.00 S ATOM 0 H CYS A 9 15.280 15.045 -8.531 1.00 0.00 H new ATOM 0 HA CYS A 9 17.171 16.352 -10.406 1.00 0.00 H new ATOM 0 HB2 CYS A 9 14.193 16.900 -10.117 1.00 0.00 H new ATOM 0 HB3 CYS A 9 15.320 17.804 -11.109 1.00 0.00 H new ATOM 0 HG CYS A 9 14.058 16.180 -12.961 1.00 0.00 H new ATOM 160 N CYS A 10 17.688 17.778 -8.421 1.00 0.00 N ATOM 161 CA CYS A 10 18.073 18.694 -7.352 1.00 0.00 C ATOM 162 C CYS A 10 17.420 20.070 -7.535 1.00 0.00 C ATOM 163 O CYS A 10 17.098 20.476 -8.654 1.00 0.00 O ATOM 164 CB CYS A 10 19.603 18.836 -7.330 1.00 0.00 C ATOM 165 SG CYS A 10 20.396 17.209 -7.144 1.00 0.00 S ATOM 0 H CYS A 10 18.472 17.508 -9.014 1.00 0.00 H new ATOM 0 HA CYS A 10 17.726 18.284 -6.403 1.00 0.00 H new ATOM 0 HB2 CYS A 10 19.943 19.309 -8.252 1.00 0.00 H new ATOM 0 HB3 CYS A 10 19.901 19.488 -6.509 1.00 0.00 H new ATOM 0 HG CYS A 10 21.688 17.355 -7.130 1.00 0.00 H new ATOM 171 N ASN A 11 17.287 20.814 -6.433 1.00 0.00 N ATOM 172 CA ASN A 11 16.842 22.208 -6.397 1.00 0.00 C ATOM 173 C ASN A 11 17.352 22.860 -5.113 1.00 0.00 C ATOM 174 O ASN A 11 17.682 22.173 -4.143 1.00 0.00 O ATOM 175 CB ASN A 11 15.310 22.311 -6.475 1.00 0.00 C ATOM 176 CG ASN A 11 14.655 22.317 -5.106 1.00 0.00 C ATOM 177 OD1 ASN A 11 14.252 23.368 -4.615 1.00 0.00 O ATOM 178 ND2 ASN A 11 14.605 21.171 -4.446 1.00 0.00 N ATOM 0 H ASN A 11 17.495 20.446 -5.505 1.00 0.00 H new ATOM 0 HA ASN A 11 17.249 22.728 -7.264 1.00 0.00 H new ATOM 0 HB2 ASN A 11 15.037 23.222 -7.008 1.00 0.00 H new ATOM 0 HB3 ASN A 11 14.922 21.474 -7.056 1.00 0.00 H new ATOM 0 HD21 ASN A 11 14.223 21.143 -3.501 1.00 0.00 H new ATOM 0 HD22 ASN A 11 14.948 20.316 -4.883 1.00 0.00 H new ATOM 185 N LYS A 12 17.355 24.191 -5.108 1.00 0.00 N ATOM 186 CA LYS A 12 17.557 25.028 -3.922 1.00 0.00 C ATOM 187 C LYS A 12 16.495 26.130 -3.877 1.00 0.00 C ATOM 188 O LYS A 12 16.342 26.802 -2.858 1.00 0.00 O ATOM 189 CB LYS A 12 18.949 25.694 -3.865 1.00 0.00 C ATOM 190 CG LYS A 12 20.158 24.824 -4.242 1.00 0.00 C ATOM 191 CD LYS A 12 20.417 24.881 -5.755 1.00 0.00 C ATOM 192 CE LYS A 12 21.613 24.021 -6.193 1.00 0.00 C ATOM 193 NZ LYS A 12 22.915 24.539 -5.701 1.00 0.00 N ATOM 0 H LYS A 12 17.212 24.738 -5.957 1.00 0.00 H new ATOM 0 HA LYS A 12 17.476 24.359 -3.065 1.00 0.00 H new ATOM 0 HB2 LYS A 12 18.937 26.560 -4.526 1.00 0.00 H new ATOM 0 HB3 LYS A 12 19.104 26.068 -2.853 1.00 0.00 H new ATOM 0 HG2 LYS A 12 21.041 25.167 -3.704 1.00 0.00 H new ATOM 0 HG3 LYS A 12 19.980 23.793 -3.937 1.00 0.00 H new ATOM 0 HD2 LYS A 12 19.524 24.547 -6.284 1.00 0.00 H new ATOM 0 HD3 LYS A 12 20.594 25.916 -6.049 1.00 0.00 H new ATOM 0 HE2 LYS A 12 21.473 23.003 -5.829 1.00 0.00 H new ATOM 0 HE3 LYS A 12 21.637 23.970 -7.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 23.682 23.918 -6.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 23.067 25.500 -6.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 22.909 24.563 -4.661 1.00 0.00 H new ATOM 207 N GLN A 13 15.796 26.335 -4.996 1.00 0.00 N ATOM 208 CA GLN A 13 14.934 27.468 -5.231 1.00 0.00 C ATOM 209 C GLN A 13 13.682 27.398 -4.357 1.00 0.00 C ATOM 210 O GLN A 13 13.189 28.451 -3.949 1.00 0.00 O ATOM 211 CB GLN A 13 14.561 27.542 -6.727 1.00 0.00 C ATOM 212 CG GLN A 13 15.758 27.814 -7.666 1.00 0.00 C ATOM 213 CD GLN A 13 16.537 26.577 -8.136 1.00 0.00 C ATOM 214 OE1 GLN A 13 16.495 25.503 -7.538 1.00 0.00 O ATOM 215 NE2 GLN A 13 17.273 26.697 -9.225 1.00 0.00 N ATOM 0 H GLN A 13 15.824 25.687 -5.783 1.00 0.00 H new ATOM 0 HA GLN A 13 15.471 28.376 -4.959 1.00 0.00 H new ATOM 0 HB2 GLN A 13 14.090 26.603 -7.019 1.00 0.00 H new ATOM 0 HB3 GLN A 13 13.819 28.328 -6.866 1.00 0.00 H new ATOM 0 HG2 GLN A 13 15.392 28.344 -8.545 1.00 0.00 H new ATOM 0 HG3 GLN A 13 16.451 28.483 -7.155 1.00 0.00 H new ATOM 0 HE21 GLN A 13 17.308 27.587 -9.721 1.00 0.00 H new ATOM 0 HE22 GLN A 13 17.807 25.899 -9.570 1.00 0.00 H new ATOM 224 N ASP A 14 13.164 26.194 -4.060 1.00 0.00 N ATOM 225 CA ASP A 14 11.899 26.087 -3.297 1.00 0.00 C ATOM 226 C ASP A 14 11.781 24.807 -2.461 1.00 0.00 C ATOM 227 O ASP A 14 10.693 24.426 -2.032 1.00 0.00 O ATOM 228 CB ASP A 14 10.706 26.199 -4.264 1.00 0.00 C ATOM 229 CG ASP A 14 9.376 26.520 -3.541 1.00 0.00 C ATOM 230 OD1 ASP A 14 9.363 27.399 -2.648 1.00 0.00 O ATOM 231 OD2 ASP A 14 8.323 25.954 -3.916 1.00 0.00 O ATOM 0 H ASP A 14 13.583 25.303 -4.325 1.00 0.00 H new ATOM 0 HA ASP A 14 11.896 26.911 -2.583 1.00 0.00 H new ATOM 0 HB2 ASP A 14 10.912 26.977 -4.999 1.00 0.00 H new ATOM 0 HB3 ASP A 14 10.599 25.263 -4.812 1.00 0.00 H new ATOM 236 N ASN A 15 12.895 24.094 -2.274 1.00 0.00 N ATOM 237 CA ASN A 15 12.983 22.731 -1.732 1.00 0.00 C ATOM 238 C ASN A 15 12.211 21.687 -2.567 1.00 0.00 C ATOM 239 O ASN A 15 12.315 20.494 -2.293 1.00 0.00 O ATOM 240 CB ASN A 15 12.647 22.691 -0.228 1.00 0.00 C ATOM 241 CG ASN A 15 12.865 21.311 0.391 1.00 0.00 C ATOM 242 OD1 ASN A 15 11.933 20.682 0.877 1.00 0.00 O ATOM 243 ND2 ASN A 15 14.081 20.795 0.399 1.00 0.00 N ATOM 0 H ASN A 15 13.813 24.472 -2.509 1.00 0.00 H new ATOM 0 HA ASN A 15 14.027 22.429 -1.820 1.00 0.00 H new ATOM 0 HB2 ASN A 15 13.263 23.421 0.297 1.00 0.00 H new ATOM 0 HB3 ASN A 15 11.608 22.989 -0.084 1.00 0.00 H new ATOM 0 HD21 ASN A 15 14.242 19.875 0.809 1.00 0.00 H new ATOM 0 HD22 ASN A 15 14.859 21.316 -0.005 1.00 0.00 H new ATOM 250 N ARG A 16 11.540 22.095 -3.651 1.00 0.00 N ATOM 251 CA ARG A 16 10.834 21.230 -4.590 1.00 0.00 C ATOM 252 C ARG A 16 11.792 20.344 -5.376 1.00 0.00 C ATOM 253 O ARG A 16 12.285 20.733 -6.434 1.00 0.00 O ATOM 254 CB ARG A 16 10.020 22.054 -5.591 1.00 0.00 C ATOM 255 CG ARG A 16 8.866 22.825 -4.961 1.00 0.00 C ATOM 256 CD ARG A 16 8.082 23.556 -6.063 1.00 0.00 C ATOM 257 NE ARG A 16 6.677 23.144 -6.059 1.00 0.00 N ATOM 258 CZ ARG A 16 5.711 23.588 -5.256 1.00 0.00 C ATOM 259 NH1 ARG A 16 5.916 24.589 -4.402 1.00 0.00 N ATOM 260 NH2 ARG A 16 4.540 22.971 -5.342 1.00 0.00 N ATOM 0 H ARG A 16 11.475 23.081 -3.904 1.00 0.00 H new ATOM 0 HA ARG A 16 10.172 20.604 -3.991 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.684 22.758 -6.092 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.624 21.388 -6.358 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.208 22.142 -4.423 1.00 0.00 H new ATOM 0 HG3 ARG A 16 9.247 23.542 -4.233 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.151 24.633 -5.911 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.526 23.342 -7.035 1.00 0.00 H new ATOM 0 HE ARG A 16 6.408 22.440 -6.746 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.831 25.036 -4.351 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.158 24.908 -3.799 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.417 22.200 -5.998 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.763 23.267 -4.752 1.00 0.00 H new ATOM 274 N HIS A 17 12.084 19.166 -4.858 1.00 0.00 N ATOM 275 CA HIS A 17 12.738 18.128 -5.627 1.00 0.00 C ATOM 276 C HIS A 17 11.692 17.510 -6.550 1.00 0.00 C ATOM 277 O HIS A 17 10.484 17.641 -6.335 1.00 0.00 O ATOM 278 CB HIS A 17 13.331 17.090 -4.671 1.00 0.00 C ATOM 279 CG HIS A 17 14.577 17.619 -4.020 1.00 0.00 C ATOM 280 ND1 HIS A 17 14.667 18.337 -2.850 1.00 0.00 N ATOM 281 CD2 HIS A 17 15.822 17.581 -4.575 1.00 0.00 C ATOM 282 CE1 HIS A 17 15.951 18.710 -2.699 1.00 0.00 C ATOM 283 NE2 HIS A 17 16.695 18.289 -3.741 1.00 0.00 N ATOM 0 H HIS A 17 11.875 18.904 -3.895 1.00 0.00 H new ATOM 0 HA HIS A 17 13.555 18.527 -6.227 1.00 0.00 H new ATOM 0 HB2 HIS A 17 12.598 16.831 -3.907 1.00 0.00 H new ATOM 0 HB3 HIS A 17 13.560 16.175 -5.217 1.00 0.00 H new ATOM 0 HD2 HIS A 17 16.088 17.089 -5.499 1.00 0.00 H new ATOM 0 HE1 HIS A 17 16.333 19.270 -1.858 1.00 0.00 H new ATOM 0 HE2 HIS A 17 17.691 18.453 -3.891 1.00 0.00 H new ATOM 291 N VAL A 18 12.144 16.790 -7.568 1.00 0.00 N ATOM 292 CA VAL A 18 11.273 15.955 -8.384 1.00 0.00 C ATOM 293 C VAL A 18 12.041 14.678 -8.623 1.00 0.00 C ATOM 294 O VAL A 18 13.273 14.679 -8.680 1.00 0.00 O ATOM 295 CB VAL A 18 10.872 16.623 -9.714 1.00 0.00 C ATOM 296 CG1 VAL A 18 9.768 15.869 -10.473 1.00 0.00 C ATOM 297 CG2 VAL A 18 10.373 18.052 -9.500 1.00 0.00 C ATOM 0 H VAL A 18 13.124 16.768 -7.851 1.00 0.00 H new ATOM 0 HA VAL A 18 10.329 15.776 -7.870 1.00 0.00 H new ATOM 0 HB VAL A 18 11.786 16.610 -10.307 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.537 16.397 -11.398 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.110 14.861 -10.706 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.873 15.815 -9.854 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.100 18.490 -10.460 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.501 18.039 -8.846 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.162 18.648 -9.041 1.00 0.00 H new ATOM 307 N LEU A 19 11.302 13.586 -8.704 1.00 0.00 N ATOM 308 CA LEU A 19 11.867 12.274 -8.945 1.00 0.00 C ATOM 309 C LEU A 19 10.964 11.503 -9.898 1.00 0.00 C ATOM 310 O LEU A 19 9.784 11.832 -10.056 1.00 0.00 O ATOM 311 CB LEU A 19 12.159 11.486 -7.646 1.00 0.00 C ATOM 312 CG LEU A 19 11.752 12.032 -6.257 1.00 0.00 C ATOM 313 CD1 LEU A 19 11.953 10.913 -5.238 1.00 0.00 C ATOM 314 CD2 LEU A 19 12.606 13.230 -5.804 1.00 0.00 C ATOM 0 H LEU A 19 10.287 13.587 -8.604 1.00 0.00 H new ATOM 0 HA LEU A 19 12.843 12.409 -9.412 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.684 10.511 -7.754 1.00 0.00 H new ATOM 0 HB3 LEU A 19 13.235 11.314 -7.615 1.00 0.00 H new ATOM 0 HG LEU A 19 10.717 12.367 -6.327 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.674 11.269 -4.247 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.329 10.060 -5.506 1.00 0.00 H new ATOM 0 HD13 LEU A 19 13.000 10.609 -5.233 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.270 13.566 -4.823 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.652 12.930 -5.746 1.00 0.00 H new ATOM 0 HD23 LEU A 19 12.501 14.044 -6.522 1.00 0.00 H new ATOM 326 N MET A 20 11.526 10.465 -10.518 1.00 0.00 N ATOM 327 CA MET A 20 10.795 9.564 -11.389 1.00 0.00 C ATOM 328 C MET A 20 10.587 8.333 -10.534 1.00 0.00 C ATOM 329 O MET A 20 11.537 7.588 -10.267 1.00 0.00 O ATOM 330 CB MET A 20 11.551 9.280 -12.692 1.00 0.00 C ATOM 331 CG MET A 20 10.705 8.465 -13.678 1.00 0.00 C ATOM 332 SD MET A 20 11.453 8.238 -15.317 1.00 0.00 S ATOM 333 CE MET A 20 12.876 7.196 -14.909 1.00 0.00 C ATOM 0 H MET A 20 12.514 10.229 -10.424 1.00 0.00 H new ATOM 0 HA MET A 20 9.849 9.980 -11.736 1.00 0.00 H new ATOM 0 HB2 MET A 20 11.842 10.223 -13.156 1.00 0.00 H new ATOM 0 HB3 MET A 20 12.470 8.738 -12.468 1.00 0.00 H new ATOM 0 HG2 MET A 20 10.511 7.484 -13.244 1.00 0.00 H new ATOM 0 HG3 MET A 20 9.740 8.957 -13.800 1.00 0.00 H new ATOM 0 HE1 MET A 20 13.405 6.928 -15.824 1.00 0.00 H new ATOM 0 HE2 MET A 20 13.549 7.742 -14.248 1.00 0.00 H new ATOM 0 HE3 MET A 20 12.532 6.290 -14.410 1.00 0.00 H new ATOM 343 N LEU A 21 9.372 8.210 -10.014 1.00 0.00 N ATOM 344 CA LEU A 21 8.954 7.041 -9.270 1.00 0.00 C ATOM 345 C LEU A 21 8.840 5.883 -10.249 1.00 0.00 C ATOM 346 O LEU A 21 8.696 6.054 -11.460 1.00 0.00 O ATOM 347 CB LEU A 21 7.626 7.301 -8.533 1.00 0.00 C ATOM 348 CG LEU A 21 7.827 7.815 -7.097 1.00 0.00 C ATOM 349 CD1 LEU A 21 8.649 9.111 -7.051 1.00 0.00 C ATOM 350 CD2 LEU A 21 6.460 8.029 -6.438 1.00 0.00 C ATOM 0 H LEU A 21 8.650 8.925 -10.100 1.00 0.00 H new ATOM 0 HA LEU A 21 9.687 6.798 -8.501 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.041 8.029 -9.095 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.046 6.379 -8.505 1.00 0.00 H new ATOM 0 HG LEU A 21 8.392 7.062 -6.548 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.763 9.433 -6.016 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.632 8.934 -7.486 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.136 9.888 -7.618 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.600 8.393 -5.420 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.891 8.761 -7.011 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.916 7.085 -6.414 1.00 0.00 H new ATOM 362 N CYS A 22 8.897 4.683 -9.706 1.00 0.00 N ATOM 363 CA CYS A 22 8.941 3.442 -10.436 1.00 0.00 C ATOM 364 C CYS A 22 8.449 2.366 -9.478 1.00 0.00 C ATOM 365 O CYS A 22 8.419 2.593 -8.270 1.00 0.00 O ATOM 366 CB CYS A 22 10.401 3.245 -10.884 1.00 0.00 C ATOM 367 SG CYS A 22 10.762 1.598 -11.530 1.00 0.00 S ATOM 0 H CYS A 22 8.914 4.546 -8.695 1.00 0.00 H new ATOM 0 HA CYS A 22 8.314 3.414 -11.327 1.00 0.00 H new ATOM 0 HB2 CYS A 22 10.637 3.983 -11.651 1.00 0.00 H new ATOM 0 HB3 CYS A 22 11.059 3.443 -10.038 1.00 0.00 H new ATOM 0 HG CYS A 22 10.589 0.716 -10.591 1.00 0.00 H new ATOM 373 N ASP A 23 8.063 1.198 -9.984 1.00 0.00 N ATOM 374 CA ASP A 23 7.822 0.041 -9.119 1.00 0.00 C ATOM 375 C ASP A 23 9.109 -0.258 -8.349 1.00 0.00 C ATOM 376 O ASP A 23 10.199 -0.128 -8.919 1.00 0.00 O ATOM 377 CB ASP A 23 7.421 -1.173 -9.961 1.00 0.00 C ATOM 378 CG ASP A 23 7.522 -2.489 -9.174 1.00 0.00 C ATOM 379 OD1 ASP A 23 6.795 -2.650 -8.170 1.00 0.00 O ATOM 380 OD2 ASP A 23 8.320 -3.360 -9.581 1.00 0.00 O ATOM 0 H ASP A 23 7.911 1.025 -10.978 1.00 0.00 H new ATOM 0 HA ASP A 23 7.010 0.257 -8.424 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.399 -1.043 -10.318 1.00 0.00 H new ATOM 0 HB3 ASP A 23 8.061 -1.229 -10.841 1.00 0.00 H new ATOM 385 N ALA A 24 8.993 -0.662 -7.083 1.00 0.00 N ATOM 386 CA ALA A 24 10.094 -1.162 -6.264 1.00 0.00 C ATOM 387 C ALA A 24 10.609 -2.493 -6.840 1.00 0.00 C ATOM 388 O ALA A 24 10.326 -3.573 -6.314 1.00 0.00 O ATOM 389 CB ALA A 24 9.652 -1.276 -4.802 1.00 0.00 C ATOM 0 H ALA A 24 8.102 -0.649 -6.586 1.00 0.00 H new ATOM 0 HA ALA A 24 10.927 -0.459 -6.287 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.480 -1.650 -4.200 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.350 -0.295 -4.435 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.810 -1.965 -4.729 1.00 0.00 H new ATOM 395 N GLY A 25 11.327 -2.402 -7.959 1.00 0.00 N ATOM 396 CA GLY A 25 11.720 -3.534 -8.786 1.00 0.00 C ATOM 397 C GLY A 25 12.126 -3.144 -10.208 1.00 0.00 C ATOM 398 O GLY A 25 12.819 -3.922 -10.867 1.00 0.00 O ATOM 0 H GLY A 25 11.660 -1.509 -8.323 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.553 -4.050 -8.308 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.892 -4.242 -8.835 1.00 0.00 H new ATOM 402 N GLY A 26 11.736 -1.954 -10.681 1.00 0.00 N ATOM 403 CA GLY A 26 12.238 -1.379 -11.928 1.00 0.00 C ATOM 404 C GLY A 26 11.218 -1.261 -13.067 1.00 0.00 C ATOM 405 O GLY A 26 11.570 -0.692 -14.103 1.00 0.00 O ATOM 0 H GLY A 26 11.058 -1.361 -10.203 1.00 0.00 H new ATOM 0 HA2 GLY A 26 12.633 -0.386 -11.715 1.00 0.00 H new ATOM 0 HA3 GLY A 26 13.074 -1.986 -12.276 1.00 0.00 H new ATOM 409 N ALA A 27 9.985 -1.769 -12.926 1.00 0.00 N ATOM 410 CA ALA A 27 9.059 -1.887 -14.054 1.00 0.00 C ATOM 411 C ALA A 27 8.294 -0.586 -14.341 1.00 0.00 C ATOM 412 O ALA A 27 8.544 0.064 -15.359 1.00 0.00 O ATOM 413 CB ALA A 27 8.098 -3.060 -13.801 1.00 0.00 C ATOM 0 H ALA A 27 9.609 -2.104 -12.039 1.00 0.00 H new ATOM 0 HA ALA A 27 9.647 -2.084 -14.950 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.407 -3.151 -14.639 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.669 -3.983 -13.700 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.536 -2.879 -12.885 1.00 0.00 H new ATOM 419 N ILE A 28 7.363 -0.215 -13.455 1.00 0.00 N ATOM 420 CA ILE A 28 6.401 0.889 -13.647 1.00 0.00 C ATOM 421 C ILE A 28 7.170 2.222 -13.719 1.00 0.00 C ATOM 422 O ILE A 28 8.316 2.276 -13.272 1.00 0.00 O ATOM 423 CB ILE A 28 5.316 0.834 -12.528 1.00 0.00 C ATOM 424 CG1 ILE A 28 4.550 -0.514 -12.603 1.00 0.00 C ATOM 425 CG2 ILE A 28 4.311 2.004 -12.574 1.00 0.00 C ATOM 426 CD1 ILE A 28 3.539 -0.755 -11.471 1.00 0.00 C ATOM 0 H ILE A 28 7.250 -0.685 -12.557 1.00 0.00 H new ATOM 0 HA ILE A 28 5.865 0.792 -14.591 1.00 0.00 H new ATOM 0 HB ILE A 28 5.850 0.923 -11.582 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.023 -0.562 -13.556 1.00 0.00 H new ATOM 0 HG13 ILE A 28 5.276 -1.327 -12.599 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.589 1.895 -11.765 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.845 2.947 -12.459 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.788 1.997 -13.530 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.057 -1.722 -11.613 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.057 -0.746 -10.512 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.785 0.032 -11.483 1.00 0.00 H new ATOM 438 N LYS A 29 6.577 3.302 -14.247 1.00 0.00 N ATOM 439 CA LYS A 29 7.152 4.651 -14.191 1.00 0.00 C ATOM 440 C LYS A 29 6.068 5.671 -13.856 1.00 0.00 C ATOM 441 O LYS A 29 4.954 5.602 -14.376 1.00 0.00 O ATOM 442 CB LYS A 29 7.850 5.020 -15.519 1.00 0.00 C ATOM 443 CG LYS A 29 9.066 4.147 -15.869 1.00 0.00 C ATOM 444 CD LYS A 29 10.238 4.347 -14.888 1.00 0.00 C ATOM 445 CE LYS A 29 11.315 3.254 -14.976 1.00 0.00 C ATOM 446 NZ LYS A 29 10.742 1.913 -14.698 1.00 0.00 N ATOM 0 H LYS A 29 5.678 3.262 -14.728 1.00 0.00 H new ATOM 0 HA LYS A 29 7.907 4.665 -13.404 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.123 4.948 -16.328 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.169 6.061 -15.469 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.769 3.098 -15.866 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.399 4.382 -16.880 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.700 5.315 -15.081 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.847 4.377 -13.871 1.00 0.00 H new ATOM 0 HE2 LYS A 29 11.765 3.262 -15.969 1.00 0.00 H new ATOM 0 HE3 LYS A 29 12.112 3.467 -14.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.498 1.199 -14.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.305 1.911 -13.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.022 1.688 -15.414 1.00 0.00 H new ATOM 460 N MET A 30 6.416 6.631 -13.006 1.00 0.00 N ATOM 461 CA MET A 30 5.594 7.727 -12.506 1.00 0.00 C ATOM 462 C MET A 30 6.521 8.925 -12.274 1.00 0.00 C ATOM 463 O MET A 30 7.741 8.790 -12.337 1.00 0.00 O ATOM 464 CB MET A 30 4.903 7.313 -11.193 1.00 0.00 C ATOM 465 CG MET A 30 3.749 6.328 -11.405 1.00 0.00 C ATOM 466 SD MET A 30 2.724 6.030 -9.938 1.00 0.00 S ATOM 467 CE MET A 30 1.842 7.614 -9.819 1.00 0.00 C ATOM 0 H MET A 30 7.358 6.665 -12.617 1.00 0.00 H new ATOM 0 HA MET A 30 4.814 7.985 -13.222 1.00 0.00 H new ATOM 0 HB2 MET A 30 5.640 6.862 -10.528 1.00 0.00 H new ATOM 0 HB3 MET A 30 4.525 8.204 -10.692 1.00 0.00 H new ATOM 0 HG2 MET A 30 3.112 6.703 -12.206 1.00 0.00 H new ATOM 0 HG3 MET A 30 4.159 5.377 -11.744 1.00 0.00 H new ATOM 0 HE1 MET A 30 1.035 7.527 -9.092 1.00 0.00 H new ATOM 0 HE2 MET A 30 2.535 8.393 -9.501 1.00 0.00 H new ATOM 0 HE3 MET A 30 1.427 7.873 -10.793 1.00 0.00 H new ATOM 477 N ILE A 31 5.971 10.097 -11.969 1.00 0.00 N ATOM 478 CA ILE A 31 6.720 11.295 -11.591 1.00 0.00 C ATOM 479 C ILE A 31 6.126 11.745 -10.260 1.00 0.00 C ATOM 480 O ILE A 31 4.910 11.638 -10.079 1.00 0.00 O ATOM 481 CB ILE A 31 6.600 12.389 -12.668 1.00 0.00 C ATOM 482 CG1 ILE A 31 7.128 11.900 -14.031 1.00 0.00 C ATOM 483 CG2 ILE A 31 7.382 13.664 -12.288 1.00 0.00 C ATOM 484 CD1 ILE A 31 6.357 12.592 -15.144 1.00 0.00 C ATOM 0 H ILE A 31 4.962 10.245 -11.978 1.00 0.00 H new ATOM 0 HA ILE A 31 7.787 11.092 -11.498 1.00 0.00 H new ATOM 0 HB ILE A 31 5.537 12.620 -12.738 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.192 12.116 -14.121 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.015 10.819 -14.112 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.269 14.408 -13.076 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.992 14.064 -11.352 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.438 13.421 -12.167 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.727 12.249 -16.110 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.297 12.353 -15.056 1.00 0.00 H new ATOM 0 HD13 ILE A 31 6.493 13.671 -15.065 1.00 0.00 H new ATOM 496 N ALA A 32 6.947 12.275 -9.356 1.00 0.00 N ATOM 497 CA ALA A 32 6.472 12.938 -8.155 1.00 0.00 C ATOM 498 C ALA A 32 7.319 14.177 -7.923 1.00 0.00 C ATOM 499 O ALA A 32 8.549 14.110 -7.939 1.00 0.00 O ATOM 500 CB ALA A 32 6.560 12.016 -6.939 1.00 0.00 C ATOM 0 H ALA A 32 7.963 12.254 -9.441 1.00 0.00 H new ATOM 0 HA ALA A 32 5.425 13.209 -8.289 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.197 12.542 -6.056 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.949 11.129 -7.110 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.597 11.718 -6.783 1.00 0.00 H new ATOM 506 N GLU A 33 6.653 15.298 -7.694 1.00 0.00 N ATOM 507 CA GLU A 33 7.240 16.532 -7.220 1.00 0.00 C ATOM 508 C GLU A 33 7.106 16.463 -5.698 1.00 0.00 C ATOM 509 O GLU A 33 6.016 16.177 -5.186 1.00 0.00 O ATOM 510 CB GLU A 33 6.428 17.695 -7.816 1.00 0.00 C ATOM 511 CG GLU A 33 6.932 19.092 -7.441 1.00 0.00 C ATOM 512 CD GLU A 33 5.956 20.177 -7.934 1.00 0.00 C ATOM 513 OE1 GLU A 33 5.776 20.320 -9.164 1.00 0.00 O ATOM 514 OE2 GLU A 33 5.391 20.911 -7.089 1.00 0.00 O ATOM 0 H GLU A 33 5.646 15.371 -7.841 1.00 0.00 H new ATOM 0 HA GLU A 33 8.282 16.677 -7.506 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.432 17.603 -8.902 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.392 17.599 -7.492 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.046 19.164 -6.359 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.917 19.257 -7.877 1.00 0.00 H new ATOM 521 N VAL A 34 8.196 16.683 -4.968 1.00 0.00 N ATOM 522 CA VAL A 34 8.271 16.420 -3.538 1.00 0.00 C ATOM 523 C VAL A 34 9.071 17.521 -2.833 1.00 0.00 C ATOM 524 O VAL A 34 9.826 18.258 -3.463 1.00 0.00 O ATOM 525 CB VAL A 34 8.879 15.015 -3.276 1.00 0.00 C ATOM 526 CG1 VAL A 34 8.185 13.887 -4.062 1.00 0.00 C ATOM 527 CG2 VAL A 34 10.380 14.927 -3.583 1.00 0.00 C ATOM 0 H VAL A 34 9.062 17.054 -5.360 1.00 0.00 H new ATOM 0 HA VAL A 34 7.263 16.427 -3.124 1.00 0.00 H new ATOM 0 HB VAL A 34 8.714 14.875 -2.208 1.00 0.00 H new ATOM 0 HG11 VAL A 34 8.662 12.935 -3.830 1.00 0.00 H new ATOM 0 HG12 VAL A 34 7.132 13.843 -3.783 1.00 0.00 H new ATOM 0 HG13 VAL A 34 8.269 14.083 -5.131 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.735 13.917 -3.377 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.551 15.164 -4.633 1.00 0.00 H new ATOM 0 HG23 VAL A 34 10.921 15.637 -2.958 1.00 0.00 H new ATOM 537 N LYS A 35 8.925 17.628 -1.517 1.00 0.00 N ATOM 538 CA LYS A 35 9.817 18.389 -0.651 1.00 0.00 C ATOM 539 C LYS A 35 10.627 17.361 0.111 1.00 0.00 C ATOM 540 O LYS A 35 10.178 16.223 0.271 1.00 0.00 O ATOM 541 CB LYS A 35 9.046 19.320 0.298 1.00 0.00 C ATOM 542 CG LYS A 35 8.831 20.658 -0.409 1.00 0.00 C ATOM 543 CD LYS A 35 8.210 21.728 0.493 1.00 0.00 C ATOM 544 CE LYS A 35 8.079 23.041 -0.297 1.00 0.00 C ATOM 545 NZ LYS A 35 7.539 24.147 0.532 1.00 0.00 N ATOM 0 H LYS A 35 8.164 17.176 -1.010 1.00 0.00 H new ATOM 0 HA LYS A 35 10.459 19.049 -1.235 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.088 18.876 0.570 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.604 19.465 1.223 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.788 21.020 -0.784 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.187 20.504 -1.275 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.231 21.401 0.844 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.830 21.881 1.376 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.056 23.326 -0.687 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.427 22.882 -1.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.469 25.010 -0.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.595 23.888 0.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.174 24.319 1.338 1.00 0.00 H new ATOM 559 N SER A 36 11.791 17.755 0.603 1.00 0.00 N ATOM 560 CA SER A 36 12.755 16.812 1.146 1.00 0.00 C ATOM 561 C SER A 36 13.534 17.486 2.268 1.00 0.00 C ATOM 562 O SER A 36 14.221 18.480 2.031 1.00 0.00 O ATOM 563 CB SER A 36 13.700 16.309 0.038 1.00 0.00 C ATOM 564 OG SER A 36 13.098 16.312 -1.250 1.00 0.00 O ATOM 0 H SER A 36 12.092 18.729 0.637 1.00 0.00 H new ATOM 0 HA SER A 36 12.232 15.945 1.550 1.00 0.00 H new ATOM 0 HB2 SER A 36 14.592 16.935 0.017 1.00 0.00 H new ATOM 0 HB3 SER A 36 14.026 15.297 0.278 1.00 0.00 H new ATOM 0 HG SER A 36 13.463 17.051 -1.780 1.00 0.00 H new ATOM 570 N ASP A 37 13.441 16.945 3.485 1.00 0.00 N ATOM 571 CA ASP A 37 14.242 17.409 4.623 1.00 0.00 C ATOM 572 C ASP A 37 15.609 16.703 4.662 1.00 0.00 C ATOM 573 O ASP A 37 16.455 17.005 5.505 1.00 0.00 O ATOM 574 CB ASP A 37 13.459 17.195 5.927 1.00 0.00 C ATOM 575 CG ASP A 37 14.148 17.853 7.137 1.00 0.00 C ATOM 576 OD1 ASP A 37 14.412 19.077 7.099 1.00 0.00 O ATOM 577 OD2 ASP A 37 14.359 17.175 8.167 1.00 0.00 O ATOM 0 H ASP A 37 12.811 16.175 3.710 1.00 0.00 H new ATOM 0 HA ASP A 37 14.437 18.475 4.508 1.00 0.00 H new ATOM 0 HB2 ASP A 37 12.455 17.604 5.817 1.00 0.00 H new ATOM 0 HB3 ASP A 37 13.349 16.126 6.111 1.00 0.00 H new ATOM 582 N PHE A 38 15.835 15.774 3.727 1.00 0.00 N ATOM 583 CA PHE A 38 17.030 14.956 3.572 1.00 0.00 C ATOM 584 C PHE A 38 17.296 14.808 2.070 1.00 0.00 C ATOM 585 O PHE A 38 16.380 14.987 1.260 1.00 0.00 O ATOM 586 CB PHE A 38 16.804 13.566 4.191 1.00 0.00 C ATOM 587 CG PHE A 38 16.373 13.547 5.647 1.00 0.00 C ATOM 588 CD1 PHE A 38 15.016 13.727 5.981 1.00 0.00 C ATOM 589 CD2 PHE A 38 17.317 13.326 6.668 1.00 0.00 C ATOM 590 CE1 PHE A 38 14.604 13.686 7.323 1.00 0.00 C ATOM 591 CE2 PHE A 38 16.905 13.286 8.013 1.00 0.00 C ATOM 592 CZ PHE A 38 15.549 13.464 8.340 1.00 0.00 C ATOM 0 H PHE A 38 15.137 15.564 3.013 1.00 0.00 H new ATOM 0 HA PHE A 38 17.877 15.424 4.075 1.00 0.00 H new ATOM 0 HB2 PHE A 38 16.048 13.047 3.602 1.00 0.00 H new ATOM 0 HB3 PHE A 38 17.728 12.995 4.099 1.00 0.00 H new ATOM 0 HD1 PHE A 38 14.289 13.897 5.201 1.00 0.00 H new ATOM 0 HD2 PHE A 38 18.359 13.187 6.419 1.00 0.00 H new ATOM 0 HE1 PHE A 38 13.563 13.825 7.573 1.00 0.00 H new ATOM 0 HE2 PHE A 38 17.631 13.118 8.795 1.00 0.00 H new ATOM 0 HZ PHE A 38 15.233 13.430 9.372 1.00 0.00 H new ATOM 602 N ALA A 39 18.530 14.462 1.693 1.00 0.00 N ATOM 603 CA ALA A 39 18.872 14.148 0.312 1.00 0.00 C ATOM 604 C ALA A 39 18.113 12.897 -0.155 1.00 0.00 C ATOM 605 O ALA A 39 17.846 11.994 0.639 1.00 0.00 O ATOM 606 CB ALA A 39 20.385 13.941 0.185 1.00 0.00 C ATOM 0 H ALA A 39 19.316 14.393 2.339 1.00 0.00 H new ATOM 0 HA ALA A 39 18.578 14.982 -0.325 1.00 0.00 H new ATOM 0 HB1 ALA A 39 20.635 13.706 -0.850 1.00 0.00 H new ATOM 0 HB2 ALA A 39 20.903 14.851 0.486 1.00 0.00 H new ATOM 0 HB3 ALA A 39 20.695 13.118 0.828 1.00 0.00 H new ATOM 612 N VAL A 40 17.830 12.820 -1.454 1.00 0.00 N ATOM 613 CA VAL A 40 17.176 11.697 -2.117 1.00 0.00 C ATOM 614 C VAL A 40 17.786 11.607 -3.520 1.00 0.00 C ATOM 615 O VAL A 40 18.072 12.641 -4.133 1.00 0.00 O ATOM 616 CB VAL A 40 15.639 11.892 -2.092 1.00 0.00 C ATOM 617 CG1 VAL A 40 15.158 13.251 -2.635 1.00 0.00 C ATOM 618 CG2 VAL A 40 14.901 10.771 -2.838 1.00 0.00 C ATOM 0 H VAL A 40 18.062 13.574 -2.101 1.00 0.00 H new ATOM 0 HA VAL A 40 17.342 10.746 -1.611 1.00 0.00 H new ATOM 0 HB VAL A 40 15.392 11.859 -1.031 1.00 0.00 H new ATOM 0 HG11 VAL A 40 14.071 13.301 -2.580 1.00 0.00 H new ATOM 0 HG12 VAL A 40 15.589 14.055 -2.038 1.00 0.00 H new ATOM 0 HG13 VAL A 40 15.474 13.361 -3.672 1.00 0.00 H new ATOM 0 HG21 VAL A 40 13.827 10.950 -2.794 1.00 0.00 H new ATOM 0 HG22 VAL A 40 15.223 10.753 -3.879 1.00 0.00 H new ATOM 0 HG23 VAL A 40 15.128 9.812 -2.371 1.00 0.00 H new ATOM 628 N LYS A 41 18.049 10.393 -4.009 1.00 0.00 N ATOM 629 CA LYS A 41 18.807 10.158 -5.236 1.00 0.00 C ATOM 630 C LYS A 41 18.354 8.873 -5.928 1.00 0.00 C ATOM 631 O LYS A 41 17.568 8.102 -5.383 1.00 0.00 O ATOM 632 CB LYS A 41 20.328 10.230 -4.958 1.00 0.00 C ATOM 633 CG LYS A 41 20.867 9.482 -3.723 1.00 0.00 C ATOM 634 CD LYS A 41 20.730 7.960 -3.834 1.00 0.00 C ATOM 635 CE LYS A 41 21.193 7.221 -2.571 1.00 0.00 C ATOM 636 NZ LYS A 41 22.656 7.321 -2.333 1.00 0.00 N ATOM 0 H LYS A 41 17.736 9.534 -3.556 1.00 0.00 H new ATOM 0 HA LYS A 41 18.596 10.955 -5.949 1.00 0.00 H new ATOM 0 HB2 LYS A 41 20.848 9.846 -5.836 1.00 0.00 H new ATOM 0 HB3 LYS A 41 20.602 11.281 -4.860 1.00 0.00 H new ATOM 0 HG2 LYS A 41 21.917 9.737 -3.581 1.00 0.00 H new ATOM 0 HG3 LYS A 41 20.333 9.825 -2.837 1.00 0.00 H new ATOM 0 HD2 LYS A 41 19.688 7.708 -4.034 1.00 0.00 H new ATOM 0 HD3 LYS A 41 21.312 7.610 -4.687 1.00 0.00 H new ATOM 0 HE2 LYS A 41 20.663 7.625 -1.708 1.00 0.00 H new ATOM 0 HE3 LYS A 41 20.916 6.170 -2.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 22.903 6.802 -1.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 23.168 6.911 -3.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 22.923 8.320 -2.226 1.00 0.00 H new ATOM 650 N VAL A 42 18.827 8.653 -7.150 1.00 0.00 N ATOM 651 CA VAL A 42 18.526 7.460 -7.934 1.00 0.00 C ATOM 652 C VAL A 42 18.913 6.179 -7.185 1.00 0.00 C ATOM 653 O VAL A 42 19.891 6.143 -6.434 1.00 0.00 O ATOM 654 CB VAL A 42 19.205 7.561 -9.314 1.00 0.00 C ATOM 655 CG1 VAL A 42 18.805 6.383 -10.212 1.00 0.00 C ATOM 656 CG2 VAL A 42 18.784 8.871 -9.991 1.00 0.00 C ATOM 0 H VAL A 42 19.441 9.310 -7.632 1.00 0.00 H new ATOM 0 HA VAL A 42 17.449 7.403 -8.090 1.00 0.00 H new ATOM 0 HB VAL A 42 20.285 7.538 -9.169 1.00 0.00 H new ATOM 0 HG11 VAL A 42 19.298 6.479 -11.179 1.00 0.00 H new ATOM 0 HG12 VAL A 42 19.108 5.448 -9.742 1.00 0.00 H new ATOM 0 HG13 VAL A 42 17.724 6.384 -10.354 1.00 0.00 H new ATOM 0 HG21 VAL A 42 19.262 8.946 -10.968 1.00 0.00 H new ATOM 0 HG22 VAL A 42 17.701 8.885 -10.115 1.00 0.00 H new ATOM 0 HG23 VAL A 42 19.089 9.715 -9.372 1.00 0.00 H new ATOM 666 N GLY A 43 18.153 5.114 -7.442 1.00 0.00 N ATOM 667 CA GLY A 43 18.279 3.830 -6.786 1.00 0.00 C ATOM 668 C GLY A 43 17.751 3.902 -5.356 1.00 0.00 C ATOM 669 O GLY A 43 18.246 3.150 -4.514 1.00 0.00 O ATOM 0 H GLY A 43 17.409 5.132 -8.139 1.00 0.00 H new ATOM 0 HA2 GLY A 43 17.727 3.074 -7.345 1.00 0.00 H new ATOM 0 HA3 GLY A 43 19.324 3.521 -6.778 1.00 0.00 H new ATOM 673 N ASP A 44 16.793 4.796 -5.059 1.00 0.00 N ATOM 674 CA ASP A 44 16.299 4.913 -3.665 1.00 0.00 C ATOM 675 C ASP A 44 14.943 4.242 -3.569 1.00 0.00 C ATOM 676 O ASP A 44 14.143 4.356 -4.491 1.00 0.00 O ATOM 677 CB ASP A 44 16.145 6.357 -3.133 1.00 0.00 C ATOM 678 CG ASP A 44 17.382 6.952 -2.445 1.00 0.00 C ATOM 679 OD1 ASP A 44 18.223 6.177 -1.940 1.00 0.00 O ATOM 680 OD2 ASP A 44 17.460 8.195 -2.317 1.00 0.00 O ATOM 0 H ASP A 44 16.356 5.427 -5.730 1.00 0.00 H new ATOM 0 HA ASP A 44 17.063 4.437 -3.050 1.00 0.00 H new ATOM 0 HB2 ASP A 44 15.870 7.004 -3.966 1.00 0.00 H new ATOM 0 HB3 ASP A 44 15.315 6.377 -2.427 1.00 0.00 H new ATOM 685 N LEU A 45 14.642 3.581 -2.453 1.00 0.00 N ATOM 686 CA LEU A 45 13.287 3.110 -2.197 1.00 0.00 C ATOM 687 C LEU A 45 12.472 4.273 -1.630 1.00 0.00 C ATOM 688 O LEU A 45 13.025 5.114 -0.915 1.00 0.00 O ATOM 689 CB LEU A 45 13.345 1.980 -1.155 1.00 0.00 C ATOM 690 CG LEU A 45 12.029 1.192 -0.987 1.00 0.00 C ATOM 691 CD1 LEU A 45 11.814 0.201 -2.134 1.00 0.00 C ATOM 692 CD2 LEU A 45 12.058 0.440 0.344 1.00 0.00 C ATOM 0 H LEU A 45 15.314 3.362 -1.718 1.00 0.00 H new ATOM 0 HA LEU A 45 12.829 2.742 -3.116 1.00 0.00 H new ATOM 0 HB2 LEU A 45 14.136 1.285 -1.436 1.00 0.00 H new ATOM 0 HB3 LEU A 45 13.623 2.406 -0.191 1.00 0.00 H new ATOM 0 HG LEU A 45 11.202 1.902 -1.001 1.00 0.00 H new ATOM 0 HD11 LEU A 45 10.877 -0.335 -1.981 1.00 0.00 H new ATOM 0 HD12 LEU A 45 11.772 0.742 -3.079 1.00 0.00 H new ATOM 0 HD13 LEU A 45 12.639 -0.510 -2.160 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.130 -0.118 0.467 1.00 0.00 H new ATOM 0 HD22 LEU A 45 12.901 -0.251 0.353 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.164 1.152 1.162 1.00 0.00 H new ATOM 704 N LEU A 46 11.162 4.281 -1.876 1.00 0.00 N ATOM 705 CA LEU A 46 10.201 5.141 -1.205 1.00 0.00 C ATOM 706 C LEU A 46 9.115 4.226 -0.660 1.00 0.00 C ATOM 707 O LEU A 46 8.470 3.512 -1.429 1.00 0.00 O ATOM 708 CB LEU A 46 9.560 6.177 -2.143 1.00 0.00 C ATOM 709 CG LEU A 46 10.493 7.247 -2.726 1.00 0.00 C ATOM 710 CD1 LEU A 46 9.666 8.189 -3.610 1.00 0.00 C ATOM 711 CD2 LEU A 46 11.205 8.075 -1.656 1.00 0.00 C ATOM 0 H LEU A 46 10.732 3.669 -2.570 1.00 0.00 H new ATOM 0 HA LEU A 46 10.713 5.707 -0.427 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.094 5.644 -2.971 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.762 6.681 -1.599 1.00 0.00 H new ATOM 0 HG LEU A 46 11.264 6.728 -3.296 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.316 8.956 -4.032 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.205 7.619 -4.417 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.889 8.662 -3.010 1.00 0.00 H new ATOM 0 HD21 LEU A 46 11.849 8.813 -2.135 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.465 8.585 -1.039 1.00 0.00 H new ATOM 0 HD23 LEU A 46 11.809 7.418 -1.030 1.00 0.00 H new ATOM 723 N SER A 47 8.876 4.299 0.644 1.00 0.00 N ATOM 724 CA SER A 47 7.828 3.534 1.327 1.00 0.00 C ATOM 725 C SER A 47 6.933 4.506 2.101 1.00 0.00 C ATOM 726 O SER A 47 7.470 5.420 2.726 1.00 0.00 O ATOM 727 CB SER A 47 8.458 2.517 2.282 1.00 0.00 C ATOM 728 OG SER A 47 9.400 1.711 1.601 1.00 0.00 O ATOM 0 H SER A 47 9.411 4.900 1.271 1.00 0.00 H new ATOM 0 HA SER A 47 7.230 2.991 0.595 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.945 3.038 3.106 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.681 1.889 2.717 1.00 0.00 H new ATOM 0 HG SER A 47 9.794 1.068 2.227 1.00 0.00 H new ATOM 734 N PRO A 48 5.598 4.381 2.055 1.00 0.00 N ATOM 735 CA PRO A 48 4.707 5.383 2.623 1.00 0.00 C ATOM 736 C PRO A 48 4.764 5.393 4.153 1.00 0.00 C ATOM 737 O PRO A 48 5.078 4.386 4.796 1.00 0.00 O ATOM 738 CB PRO A 48 3.308 5.037 2.100 1.00 0.00 C ATOM 739 CG PRO A 48 3.388 3.535 1.826 1.00 0.00 C ATOM 740 CD PRO A 48 4.838 3.334 1.393 1.00 0.00 C ATOM 0 HA PRO A 48 4.999 6.390 2.325 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.537 5.270 2.834 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.068 5.597 1.196 1.00 0.00 H new ATOM 0 HG2 PRO A 48 3.149 2.951 2.715 1.00 0.00 H new ATOM 0 HG3 PRO A 48 2.689 3.230 1.047 1.00 0.00 H new ATOM 0 HD2 PRO A 48 5.199 2.347 1.682 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.936 3.405 0.310 1.00 0.00 H new ATOM 748 N LEU A 49 4.392 6.539 4.725 1.00 0.00 N ATOM 749 CA LEU A 49 4.280 6.771 6.168 1.00 0.00 C ATOM 750 C LEU A 49 2.897 7.333 6.485 1.00 0.00 C ATOM 751 O LEU A 49 2.267 6.915 7.457 1.00 0.00 O ATOM 752 CB LEU A 49 5.362 7.768 6.618 1.00 0.00 C ATOM 753 CG LEU A 49 6.789 7.197 6.606 1.00 0.00 C ATOM 754 CD1 LEU A 49 7.793 8.340 6.767 1.00 0.00 C ATOM 755 CD2 LEU A 49 6.995 6.170 7.725 1.00 0.00 C ATOM 0 H LEU A 49 4.151 7.364 4.176 1.00 0.00 H new ATOM 0 HA LEU A 49 4.419 5.829 6.699 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.327 8.643 5.968 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.128 8.110 7.626 1.00 0.00 H new ATOM 0 HG LEU A 49 6.945 6.690 5.654 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.806 7.938 6.759 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.676 9.046 5.945 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.613 8.852 7.712 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.015 5.788 7.685 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.823 6.645 8.691 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.294 5.346 7.596 1.00 0.00 H new ATOM 767 N GLN A 50 2.416 8.244 5.640 1.00 0.00 N ATOM 768 CA GLN A 50 1.048 8.751 5.603 1.00 0.00 C ATOM 769 C GLN A 50 0.786 9.196 4.154 1.00 0.00 C ATOM 770 O GLN A 50 1.557 8.834 3.262 1.00 0.00 O ATOM 771 CB GLN A 50 0.814 9.837 6.679 1.00 0.00 C ATOM 772 CG GLN A 50 1.828 10.992 6.694 1.00 0.00 C ATOM 773 CD GLN A 50 1.471 12.080 7.714 1.00 0.00 C ATOM 774 OE1 GLN A 50 0.990 11.810 8.812 1.00 0.00 O ATOM 775 NE2 GLN A 50 1.699 13.343 7.384 1.00 0.00 N ATOM 0 H GLN A 50 3.004 8.671 4.924 1.00 0.00 H new ATOM 0 HA GLN A 50 0.317 7.986 5.865 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.182 10.255 6.536 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.821 9.359 7.659 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.818 10.598 6.921 1.00 0.00 H new ATOM 0 HG3 GLN A 50 1.882 11.436 5.700 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.098 13.568 6.473 1.00 0.00 H new ATOM 0 HE22 GLN A 50 1.475 14.090 8.041 1.00 0.00 H new ATOM 784 N ASN A 51 -0.290 9.952 3.902 1.00 0.00 N ATOM 785 CA ASN A 51 -0.765 10.260 2.549 1.00 0.00 C ATOM 786 C ASN A 51 0.324 10.808 1.620 1.00 0.00 C ATOM 787 O ASN A 51 0.376 10.414 0.454 1.00 0.00 O ATOM 788 CB ASN A 51 -1.939 11.249 2.608 1.00 0.00 C ATOM 789 CG ASN A 51 -2.406 11.623 1.200 1.00 0.00 C ATOM 790 OD1 ASN A 51 -3.133 10.871 0.558 1.00 0.00 O ATOM 791 ND2 ASN A 51 -1.998 12.774 0.689 1.00 0.00 N ATOM 0 H ASN A 51 -0.859 10.370 4.638 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.089 9.310 2.123 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.765 10.807 3.164 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.637 12.147 3.146 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.288 13.046 -0.250 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.394 13.389 1.235 1.00 0.00 H new ATOM 798 N ALA A 52 1.186 11.698 2.127 1.00 0.00 N ATOM 799 CA ALA A 52 2.209 12.367 1.354 1.00 0.00 C ATOM 800 C ALA A 52 3.621 12.094 1.874 1.00 0.00 C ATOM 801 O ALA A 52 4.552 12.219 1.084 1.00 0.00 O ATOM 802 CB ALA A 52 1.918 13.873 1.330 1.00 0.00 C ATOM 0 H ALA A 52 1.181 11.971 3.110 1.00 0.00 H new ATOM 0 HA ALA A 52 2.178 11.965 0.341 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.686 14.383 0.749 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.943 14.048 0.875 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.918 14.260 2.349 1.00 0.00 H new ATOM 808 N LEU A 53 3.832 11.755 3.154 1.00 0.00 N ATOM 809 CA LEU A 53 5.179 11.438 3.621 1.00 0.00 C ATOM 810 C LEU A 53 5.550 10.043 3.143 1.00 0.00 C ATOM 811 O LEU A 53 4.777 9.096 3.324 1.00 0.00 O ATOM 812 CB LEU A 53 5.355 11.500 5.149 1.00 0.00 C ATOM 813 CG LEU A 53 5.446 12.913 5.754 1.00 0.00 C ATOM 814 CD1 LEU A 53 5.486 12.806 7.282 1.00 0.00 C ATOM 815 CD2 LEU A 53 6.699 13.672 5.295 1.00 0.00 C ATOM 0 H LEU A 53 3.103 11.695 3.865 1.00 0.00 H new ATOM 0 HA LEU A 53 5.833 12.204 3.205 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.518 10.979 5.614 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.259 10.952 5.415 1.00 0.00 H new ATOM 0 HG LEU A 53 4.570 13.465 5.413 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.550 13.804 7.715 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.580 12.315 7.636 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.356 12.223 7.583 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.712 14.662 5.751 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.589 13.121 5.597 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.686 13.773 4.210 1.00 0.00 H new ATOM 827 N TYR A 54 6.772 9.914 2.639 1.00 0.00 N ATOM 828 CA TYR A 54 7.394 8.647 2.303 1.00 0.00 C ATOM 829 C TYR A 54 8.803 8.650 2.896 1.00 0.00 C ATOM 830 O TYR A 54 9.464 9.691 2.955 1.00 0.00 O ATOM 831 CB TYR A 54 7.457 8.449 0.777 1.00 0.00 C ATOM 832 CG TYR A 54 6.188 7.963 0.097 1.00 0.00 C ATOM 833 CD1 TYR A 54 5.112 8.841 -0.140 1.00 0.00 C ATOM 834 CD2 TYR A 54 6.110 6.637 -0.366 1.00 0.00 C ATOM 835 CE1 TYR A 54 3.969 8.397 -0.833 1.00 0.00 C ATOM 836 CE2 TYR A 54 4.970 6.179 -1.044 1.00 0.00 C ATOM 837 CZ TYR A 54 3.900 7.062 -1.298 1.00 0.00 C ATOM 838 OH TYR A 54 2.829 6.613 -2.012 1.00 0.00 O ATOM 0 H TYR A 54 7.373 10.716 2.449 1.00 0.00 H new ATOM 0 HA TYR A 54 6.806 7.825 2.712 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.744 9.397 0.323 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.253 7.737 0.559 1.00 0.00 H new ATOM 0 HD1 TYR A 54 5.164 9.861 0.212 1.00 0.00 H new ATOM 0 HD2 TYR A 54 6.937 5.963 -0.198 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.146 9.074 -1.009 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.912 5.151 -1.371 1.00 0.00 H new ATOM 0 HH TYR A 54 2.442 7.355 -2.523 1.00 0.00 H new ATOM 848 N CYS A 55 9.243 7.473 3.332 1.00 0.00 N ATOM 849 CA CYS A 55 10.616 7.167 3.710 1.00 0.00 C ATOM 850 C CYS A 55 11.519 7.361 2.488 1.00 0.00 C ATOM 851 O CYS A 55 11.038 7.224 1.364 1.00 0.00 O ATOM 852 CB CYS A 55 10.716 5.685 4.118 1.00 0.00 C ATOM 853 SG CYS A 55 9.400 5.155 5.250 1.00 0.00 S ATOM 0 H CYS A 55 8.622 6.671 3.436 1.00 0.00 H new ATOM 0 HA CYS A 55 10.915 7.816 4.533 1.00 0.00 H new ATOM 0 HB2 CYS A 55 10.684 5.067 3.221 1.00 0.00 H new ATOM 0 HB3 CYS A 55 11.683 5.511 4.591 1.00 0.00 H new ATOM 0 HG CYS A 55 8.267 5.125 4.614 1.00 0.00 H new ATOM 859 N ILE A 56 12.823 7.539 2.690 1.00 0.00 N ATOM 860 CA ILE A 56 13.826 7.524 1.630 1.00 0.00 C ATOM 861 C ILE A 56 14.724 6.314 1.868 1.00 0.00 C ATOM 862 O ILE A 56 14.940 5.889 3.006 1.00 0.00 O ATOM 863 CB ILE A 56 14.658 8.832 1.635 1.00 0.00 C ATOM 864 CG1 ILE A 56 13.770 10.089 1.468 1.00 0.00 C ATOM 865 CG2 ILE A 56 15.749 8.826 0.536 1.00 0.00 C ATOM 866 CD1 ILE A 56 14.481 11.343 1.983 1.00 0.00 C ATOM 0 H ILE A 56 13.219 7.701 3.616 1.00 0.00 H new ATOM 0 HA ILE A 56 13.344 7.457 0.655 1.00 0.00 H new ATOM 0 HB ILE A 56 15.141 8.874 2.611 1.00 0.00 H new ATOM 0 HG12 ILE A 56 13.514 10.219 0.417 1.00 0.00 H new ATOM 0 HG13 ILE A 56 12.834 9.951 2.009 1.00 0.00 H new ATOM 0 HG21 ILE A 56 16.309 9.760 0.574 1.00 0.00 H new ATOM 0 HG22 ILE A 56 16.428 7.989 0.702 1.00 0.00 H new ATOM 0 HG23 ILE A 56 15.279 8.724 -0.442 1.00 0.00 H new ATOM 0 HD11 ILE A 56 13.832 12.209 1.852 1.00 0.00 H new ATOM 0 HD12 ILE A 56 14.714 11.221 3.041 1.00 0.00 H new ATOM 0 HD13 ILE A 56 15.404 11.494 1.423 1.00 0.00 H new ATOM 878 N ASN A 57 15.294 5.808 0.776 1.00 0.00 N ATOM 879 CA ASN A 57 16.364 4.824 0.683 1.00 0.00 C ATOM 880 C ASN A 57 15.937 3.418 1.061 1.00 0.00 C ATOM 881 O ASN A 57 16.128 2.527 0.236 1.00 0.00 O ATOM 882 CB ASN A 57 17.608 5.255 1.479 1.00 0.00 C ATOM 883 CG ASN A 57 18.779 4.350 1.137 1.00 0.00 C ATOM 884 OD1 ASN A 57 19.197 3.507 1.921 1.00 0.00 O ATOM 885 ND2 ASN A 57 19.307 4.508 -0.060 1.00 0.00 N ATOM 0 H ASN A 57 14.988 6.106 -0.150 1.00 0.00 H new ATOM 0 HA ASN A 57 16.628 4.787 -0.374 1.00 0.00 H new ATOM 0 HB2 ASN A 57 17.858 6.291 1.248 1.00 0.00 H new ATOM 0 HB3 ASN A 57 17.401 5.208 2.548 1.00 0.00 H new ATOM 0 HD21 ASN A 57 20.086 3.919 -0.356 1.00 0.00 H new ATOM 0 HD22 ASN A 57 18.937 5.219 -0.691 1.00 0.00 H new ATOM 892 N ARG A 58 15.357 3.259 2.257 1.00 0.00 N ATOM 893 CA ARG A 58 14.814 2.061 2.916 1.00 0.00 C ATOM 894 C ARG A 58 14.688 2.277 4.435 1.00 0.00 C ATOM 895 O ARG A 58 14.586 1.291 5.166 1.00 0.00 O ATOM 896 CB ARG A 58 15.585 0.762 2.569 1.00 0.00 C ATOM 897 CG ARG A 58 17.067 0.777 3.001 1.00 0.00 C ATOM 898 CD ARG A 58 17.958 -0.084 2.096 1.00 0.00 C ATOM 899 NE ARG A 58 18.009 0.461 0.728 1.00 0.00 N ATOM 900 CZ ARG A 58 18.915 0.189 -0.216 1.00 0.00 C ATOM 901 NH1 ARG A 58 19.886 -0.692 0.008 1.00 0.00 N ATOM 902 NH2 ARG A 58 18.836 0.814 -1.386 1.00 0.00 N ATOM 0 H ARG A 58 15.242 4.071 2.864 1.00 0.00 H new ATOM 0 HA ARG A 58 13.812 1.912 2.514 1.00 0.00 H new ATOM 0 HB2 ARG A 58 15.087 -0.082 3.046 1.00 0.00 H new ATOM 0 HB3 ARG A 58 15.533 0.597 1.493 1.00 0.00 H new ATOM 0 HG2 ARG A 58 17.433 1.804 2.993 1.00 0.00 H new ATOM 0 HG3 ARG A 58 17.145 0.419 4.027 1.00 0.00 H new ATOM 0 HD2 ARG A 58 18.965 -0.130 2.510 1.00 0.00 H new ATOM 0 HD3 ARG A 58 17.577 -1.105 2.070 1.00 0.00 H new ATOM 0 HE ARG A 58 17.272 1.118 0.473 1.00 0.00 H new ATOM 0 HH11 ARG A 58 19.945 -1.168 0.908 1.00 0.00 H new ATOM 0 HH12 ARG A 58 20.572 -0.891 -0.720 1.00 0.00 H new ATOM 0 HH21 ARG A 58 18.091 1.491 -1.554 1.00 0.00 H new ATOM 0 HH22 ARG A 58 19.520 0.617 -2.117 1.00 0.00 H new ATOM 916 N GLU A 59 14.711 3.519 4.945 1.00 0.00 N ATOM 917 CA GLU A 59 14.646 3.783 6.384 1.00 0.00 C ATOM 918 C GLU A 59 13.677 4.928 6.672 1.00 0.00 C ATOM 919 O GLU A 59 13.608 5.907 5.929 1.00 0.00 O ATOM 920 CB GLU A 59 16.046 4.038 6.965 1.00 0.00 C ATOM 921 CG GLU A 59 16.746 5.313 6.462 1.00 0.00 C ATOM 922 CD GLU A 59 18.193 5.391 6.982 1.00 0.00 C ATOM 923 OE1 GLU A 59 18.398 5.607 8.199 1.00 0.00 O ATOM 924 OE2 GLU A 59 19.141 5.228 6.180 1.00 0.00 O ATOM 0 H GLU A 59 14.775 4.361 4.372 1.00 0.00 H new ATOM 0 HA GLU A 59 14.259 2.896 6.886 1.00 0.00 H new ATOM 0 HB2 GLU A 59 15.966 4.092 8.051 1.00 0.00 H new ATOM 0 HB3 GLU A 59 16.679 3.181 6.734 1.00 0.00 H new ATOM 0 HG2 GLU A 59 16.747 5.326 5.372 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.190 6.191 6.791 1.00 0.00 H new ATOM 931 N LYS A 60 12.917 4.793 7.763 1.00 0.00 N ATOM 932 CA LYS A 60 11.786 5.672 8.065 1.00 0.00 C ATOM 933 C LYS A 60 12.206 7.086 8.452 1.00 0.00 C ATOM 934 O LYS A 60 11.403 8.008 8.318 1.00 0.00 O ATOM 935 CB LYS A 60 10.913 5.068 9.182 1.00 0.00 C ATOM 936 CG LYS A 60 10.290 3.716 8.791 1.00 0.00 C ATOM 937 CD LYS A 60 9.269 3.204 9.819 1.00 0.00 C ATOM 938 CE LYS A 60 9.913 2.894 11.179 1.00 0.00 C ATOM 939 NZ LYS A 60 8.935 2.343 12.150 1.00 0.00 N ATOM 0 H LYS A 60 13.071 4.068 8.464 1.00 0.00 H new ATOM 0 HA LYS A 60 11.211 5.750 7.142 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.519 4.937 10.079 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.118 5.769 9.434 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.802 3.814 7.821 1.00 0.00 H new ATOM 0 HG3 LYS A 60 11.083 2.977 8.676 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.486 3.951 9.952 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.789 2.304 9.434 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.726 2.181 11.040 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.354 3.804 11.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.414 2.149 13.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.172 3.033 12.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.533 1.460 11.775 1.00 0.00 H new ATOM 953 N LEU A 61 13.422 7.259 8.975 1.00 0.00 N ATOM 954 CA LEU A 61 13.853 8.522 9.565 1.00 0.00 C ATOM 955 C LEU A 61 13.996 9.604 8.503 1.00 0.00 C ATOM 956 O LEU A 61 13.653 10.760 8.744 1.00 0.00 O ATOM 957 CB LEU A 61 15.204 8.358 10.286 1.00 0.00 C ATOM 958 CG LEU A 61 15.264 7.242 11.343 1.00 0.00 C ATOM 959 CD1 LEU A 61 16.643 7.252 12.004 1.00 0.00 C ATOM 960 CD2 LEU A 61 14.161 7.382 12.395 1.00 0.00 C ATOM 0 H LEU A 61 14.132 6.527 9.000 1.00 0.00 H new ATOM 0 HA LEU A 61 13.088 8.818 10.282 1.00 0.00 H new ATOM 0 HB2 LEU A 61 15.973 8.167 9.538 1.00 0.00 H new ATOM 0 HB3 LEU A 61 15.455 9.303 10.767 1.00 0.00 H new ATOM 0 HG LEU A 61 15.099 6.288 10.842 1.00 0.00 H new ATOM 0 HD11 LEU A 61 16.692 6.463 12.755 1.00 0.00 H new ATOM 0 HD12 LEU A 61 17.410 7.082 11.248 1.00 0.00 H new ATOM 0 HD13 LEU A 61 16.811 8.218 12.481 1.00 0.00 H new ATOM 0 HD21 LEU A 61 14.244 6.572 13.119 1.00 0.00 H new ATOM 0 HD22 LEU A 61 14.266 8.339 12.907 1.00 0.00 H new ATOM 0 HD23 LEU A 61 13.187 7.335 11.909 1.00 0.00 H new ATOM 972 N HIS A 62 14.533 9.225 7.345 1.00 0.00 N ATOM 973 CA HIS A 62 14.779 10.135 6.240 1.00 0.00 C ATOM 974 C HIS A 62 13.493 10.202 5.417 1.00 0.00 C ATOM 975 O HIS A 62 13.014 9.156 4.979 1.00 0.00 O ATOM 976 CB HIS A 62 15.958 9.616 5.399 1.00 0.00 C ATOM 977 CG HIS A 62 17.270 9.448 6.135 1.00 0.00 C ATOM 978 ND1 HIS A 62 18.387 8.810 5.641 1.00 0.00 N ATOM 979 CD2 HIS A 62 17.593 9.896 7.391 1.00 0.00 C ATOM 980 CE1 HIS A 62 19.353 8.870 6.573 1.00 0.00 C ATOM 981 NE2 HIS A 62 18.917 9.527 7.665 1.00 0.00 N ATOM 0 H HIS A 62 14.811 8.263 7.150 1.00 0.00 H new ATOM 0 HA HIS A 62 15.044 11.132 6.592 1.00 0.00 H new ATOM 0 HB2 HIS A 62 15.678 8.654 4.970 1.00 0.00 H new ATOM 0 HB3 HIS A 62 16.116 10.302 4.567 1.00 0.00 H new ATOM 0 HD2 HIS A 62 16.938 10.440 8.055 1.00 0.00 H new ATOM 0 HE1 HIS A 62 20.342 8.450 6.462 1.00 0.00 H new ATOM 0 HE2 HIS A 62 19.443 9.717 8.518 1.00 0.00 H new ATOM 989 N THR A 63 12.929 11.390 5.195 1.00 0.00 N ATOM 990 CA THR A 63 11.603 11.532 4.612 1.00 0.00 C ATOM 991 C THR A 63 11.548 12.591 3.501 1.00 0.00 C ATOM 992 O THR A 63 12.286 13.582 3.504 1.00 0.00 O ATOM 993 CB THR A 63 10.619 11.874 5.745 1.00 0.00 C ATOM 994 OG1 THR A 63 11.108 12.962 6.514 1.00 0.00 O ATOM 995 CG2 THR A 63 10.434 10.685 6.688 1.00 0.00 C ATOM 0 H THR A 63 13.381 12.277 5.415 1.00 0.00 H new ATOM 0 HA THR A 63 11.330 10.591 4.134 1.00 0.00 H new ATOM 0 HB THR A 63 9.668 12.131 5.279 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.471 13.169 7.230 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.734 10.954 7.479 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.042 9.835 6.129 1.00 0.00 H new ATOM 0 HG23 THR A 63 11.394 10.417 7.129 1.00 0.00 H new ATOM 1003 N VAL A 64 10.620 12.377 2.571 1.00 0.00 N ATOM 1004 CA VAL A 64 10.177 13.315 1.549 1.00 0.00 C ATOM 1005 C VAL A 64 8.677 13.517 1.769 1.00 0.00 C ATOM 1006 O VAL A 64 8.023 12.635 2.336 1.00 0.00 O ATOM 1007 CB VAL A 64 10.424 12.775 0.121 1.00 0.00 C ATOM 1008 CG1 VAL A 64 11.816 13.121 -0.395 1.00 0.00 C ATOM 1009 CG2 VAL A 64 10.175 11.270 -0.035 1.00 0.00 C ATOM 0 H VAL A 64 10.128 11.486 2.510 1.00 0.00 H new ATOM 0 HA VAL A 64 10.736 14.247 1.633 1.00 0.00 H new ATOM 0 HB VAL A 64 9.679 13.286 -0.488 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.941 12.720 -1.401 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.937 14.204 -0.418 1.00 0.00 H new ATOM 0 HG13 VAL A 64 12.567 12.686 0.265 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.371 10.974 -1.065 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.838 10.720 0.633 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.139 11.045 0.216 1.00 0.00 H new ATOM 1019 N LYS A 65 8.115 14.624 1.275 1.00 0.00 N ATOM 1020 CA LYS A 65 6.672 14.855 1.272 1.00 0.00 C ATOM 1021 C LYS A 65 6.248 15.056 -0.172 1.00 0.00 C ATOM 1022 O LYS A 65 6.812 15.909 -0.848 1.00 0.00 O ATOM 1023 CB LYS A 65 6.321 16.087 2.119 1.00 0.00 C ATOM 1024 CG LYS A 65 4.794 16.223 2.247 1.00 0.00 C ATOM 1025 CD LYS A 65 4.350 17.602 2.750 1.00 0.00 C ATOM 1026 CE LYS A 65 2.828 17.775 2.598 1.00 0.00 C ATOM 1027 NZ LYS A 65 2.399 17.950 1.182 1.00 0.00 N ATOM 0 H LYS A 65 8.653 15.387 0.865 1.00 0.00 H new ATOM 0 HA LYS A 65 6.147 14.005 1.707 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.770 15.998 3.108 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.737 16.984 1.660 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.336 16.033 1.276 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.424 15.458 2.929 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.631 17.720 3.796 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.867 18.382 2.191 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.325 16.904 3.019 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.507 18.640 3.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.363 18.028 1.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.827 18.815 0.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.708 17.130 0.622 1.00 0.00 H new ATOM 1041 N VAL A 66 5.254 14.310 -0.637 1.00 0.00 N ATOM 1042 CA VAL A 66 4.669 14.493 -1.958 1.00 0.00 C ATOM 1043 C VAL A 66 3.957 15.850 -1.991 1.00 0.00 C ATOM 1044 O VAL A 66 3.298 16.241 -1.021 1.00 0.00 O ATOM 1045 CB VAL A 66 3.744 13.298 -2.285 1.00 0.00 C ATOM 1046 CG1 VAL A 66 3.002 13.475 -3.622 1.00 0.00 C ATOM 1047 CG2 VAL A 66 4.561 11.997 -2.380 1.00 0.00 C ATOM 0 H VAL A 66 4.827 13.554 -0.102 1.00 0.00 H new ATOM 0 HA VAL A 66 5.432 14.508 -2.736 1.00 0.00 H new ATOM 0 HB VAL A 66 3.015 13.250 -1.476 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.367 12.608 -3.803 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.387 14.374 -3.580 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.727 13.569 -4.431 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.895 11.165 -2.611 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.308 12.093 -3.168 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.059 11.810 -1.429 1.00 0.00 H new ATOM 1057 N LEU A 67 4.078 16.555 -3.118 1.00 0.00 N ATOM 1058 CA LEU A 67 3.342 17.784 -3.404 1.00 0.00 C ATOM 1059 C LEU A 67 2.329 17.481 -4.512 1.00 0.00 C ATOM 1060 O LEU A 67 1.151 17.810 -4.365 1.00 0.00 O ATOM 1061 CB LEU A 67 4.287 18.921 -3.843 1.00 0.00 C ATOM 1062 CG LEU A 67 5.548 19.128 -2.983 1.00 0.00 C ATOM 1063 CD1 LEU A 67 6.369 20.294 -3.536 1.00 0.00 C ATOM 1064 CD2 LEU A 67 5.260 19.354 -1.494 1.00 0.00 C ATOM 0 H LEU A 67 4.706 16.279 -3.873 1.00 0.00 H new ATOM 0 HA LEU A 67 2.835 18.120 -2.499 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.600 18.729 -4.869 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.721 19.853 -3.851 1.00 0.00 H new ATOM 0 HG LEU A 67 6.112 18.197 -3.044 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.259 20.435 -2.923 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.665 20.076 -4.562 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.768 21.203 -3.517 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.199 19.491 -0.958 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.641 20.243 -1.374 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.735 18.489 -1.090 1.00 0.00 H new ATOM 1076 N SER A 68 2.775 16.782 -5.562 1.00 0.00 N ATOM 1077 CA SER A 68 1.971 16.291 -6.677 1.00 0.00 C ATOM 1078 C SER A 68 2.658 15.032 -7.214 1.00 0.00 C ATOM 1079 O SER A 68 3.884 14.927 -7.122 1.00 0.00 O ATOM 1080 CB SER A 68 1.913 17.347 -7.794 1.00 0.00 C ATOM 1081 OG SER A 68 1.392 18.590 -7.343 1.00 0.00 O ATOM 0 H SER A 68 3.759 16.533 -5.658 1.00 0.00 H new ATOM 0 HA SER A 68 0.954 16.079 -6.346 1.00 0.00 H new ATOM 0 HB2 SER A 68 2.914 17.501 -8.196 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.296 16.973 -8.611 1.00 0.00 H new ATOM 0 HG SER A 68 1.377 19.228 -8.087 1.00 0.00 H new ATOM 1087 N ALA A 69 1.911 14.094 -7.800 1.00 0.00 N ATOM 1088 CA ALA A 69 2.481 12.948 -8.501 1.00 0.00 C ATOM 1089 C ALA A 69 1.510 12.457 -9.575 1.00 0.00 C ATOM 1090 O ALA A 69 0.293 12.615 -9.429 1.00 0.00 O ATOM 1091 CB ALA A 69 2.808 11.825 -7.508 1.00 0.00 C ATOM 0 H ALA A 69 0.891 14.110 -7.800 1.00 0.00 H new ATOM 0 HA ALA A 69 3.408 13.254 -8.986 1.00 0.00 H new ATOM 0 HB1 ALA A 69 3.232 10.977 -8.045 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.528 12.187 -6.774 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.896 11.513 -6.999 1.00 0.00 H new ATOM 1097 N SER A 70 2.057 11.855 -10.632 1.00 0.00 N ATOM 1098 CA SER A 70 1.340 11.501 -11.857 1.00 0.00 C ATOM 1099 C SER A 70 2.013 10.307 -12.545 1.00 0.00 C ATOM 1100 O SER A 70 3.149 9.957 -12.218 1.00 0.00 O ATOM 1101 CB SER A 70 1.367 12.700 -12.825 1.00 0.00 C ATOM 1102 OG SER A 70 0.904 13.902 -12.224 1.00 0.00 O ATOM 0 H SER A 70 3.042 11.592 -10.660 1.00 0.00 H new ATOM 0 HA SER A 70 0.314 11.239 -11.598 1.00 0.00 H new ATOM 0 HB2 SER A 70 2.385 12.848 -13.185 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.751 12.473 -13.695 1.00 0.00 H new ATOM 0 HG SER A 70 0.943 14.631 -12.878 1.00 0.00 H new ATOM 1108 N SER A 71 1.336 9.697 -13.521 1.00 0.00 N ATOM 1109 CA SER A 71 1.947 8.723 -14.425 1.00 0.00 C ATOM 1110 C SER A 71 3.084 9.405 -15.204 1.00 0.00 C ATOM 1111 O SER A 71 3.043 10.621 -15.421 1.00 0.00 O ATOM 1112 CB SER A 71 0.877 8.177 -15.380 1.00 0.00 C ATOM 1113 OG SER A 71 -0.258 7.724 -14.656 1.00 0.00 O ATOM 0 H SER A 71 0.347 9.866 -13.706 1.00 0.00 H new ATOM 0 HA SER A 71 2.363 7.889 -13.860 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.579 8.955 -16.083 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.291 7.357 -15.967 1.00 0.00 H new ATOM 0 HG SER A 71 -0.930 7.381 -15.282 1.00 0.00 H new ATOM 1119 N TYR A 72 4.109 8.650 -15.617 1.00 0.00 N ATOM 1120 CA TYR A 72 5.229 9.243 -16.339 1.00 0.00 C ATOM 1121 C TYR A 72 4.790 9.683 -17.737 1.00 0.00 C ATOM 1122 O TYR A 72 4.122 8.928 -18.450 1.00 0.00 O ATOM 1123 CB TYR A 72 6.418 8.280 -16.433 1.00 0.00 C ATOM 1124 CG TYR A 72 7.545 8.807 -17.308 1.00 0.00 C ATOM 1125 CD1 TYR A 72 8.483 9.717 -16.784 1.00 0.00 C ATOM 1126 CD2 TYR A 72 7.610 8.446 -18.669 1.00 0.00 C ATOM 1127 CE1 TYR A 72 9.472 10.275 -17.614 1.00 0.00 C ATOM 1128 CE2 TYR A 72 8.598 8.999 -19.505 1.00 0.00 C ATOM 1129 CZ TYR A 72 9.534 9.919 -18.981 1.00 0.00 C ATOM 1130 OH TYR A 72 10.499 10.462 -19.776 1.00 0.00 O ATOM 0 H TYR A 72 4.182 7.644 -15.465 1.00 0.00 H new ATOM 0 HA TYR A 72 5.556 10.118 -15.777 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.803 8.089 -15.431 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.074 7.325 -16.830 1.00 0.00 H new ATOM 0 HD1 TYR A 72 8.443 9.988 -15.739 1.00 0.00 H new ATOM 0 HD2 TYR A 72 6.898 7.741 -19.072 1.00 0.00 H new ATOM 0 HE1 TYR A 72 10.185 10.976 -17.207 1.00 0.00 H new ATOM 0 HE2 TYR A 72 8.641 8.720 -20.547 1.00 0.00 H new ATOM 0 HH TYR A 72 10.842 11.281 -19.361 1.00 0.00 H new ATOM 1140 N SER A 73 5.252 10.869 -18.132 1.00 0.00 N ATOM 1141 CA SER A 73 5.191 11.406 -19.478 1.00 0.00 C ATOM 1142 C SER A 73 6.432 12.297 -19.633 1.00 0.00 C ATOM 1143 O SER A 73 6.789 12.977 -18.666 1.00 0.00 O ATOM 1144 CB SER A 73 3.928 12.257 -19.666 1.00 0.00 C ATOM 1145 OG SER A 73 2.735 11.605 -19.277 1.00 0.00 O ATOM 0 H SER A 73 5.703 11.511 -17.480 1.00 0.00 H new ATOM 0 HA SER A 73 5.163 10.605 -20.216 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.032 13.177 -19.090 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.848 12.545 -20.714 1.00 0.00 H new ATOM 0 HG SER A 73 2.054 12.274 -19.056 1.00 0.00 H new ATOM 1151 N PRO A 74 7.080 12.349 -20.811 1.00 0.00 N ATOM 1152 CA PRO A 74 8.309 13.117 -20.988 1.00 0.00 C ATOM 1153 C PRO A 74 8.089 14.614 -20.752 1.00 0.00 C ATOM 1154 O PRO A 74 8.868 15.253 -20.046 1.00 0.00 O ATOM 1155 CB PRO A 74 8.776 12.836 -22.419 1.00 0.00 C ATOM 1156 CG PRO A 74 7.556 12.253 -23.134 1.00 0.00 C ATOM 1157 CD PRO A 74 6.746 11.607 -22.015 1.00 0.00 C ATOM 0 HA PRO A 74 9.062 12.820 -20.258 1.00 0.00 H new ATOM 0 HB2 PRO A 74 9.119 13.748 -22.907 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.611 12.135 -22.430 1.00 0.00 H new ATOM 0 HG2 PRO A 74 6.984 13.028 -23.644 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.847 11.523 -23.889 1.00 0.00 H new ATOM 0 HD2 PRO A 74 5.678 11.660 -22.224 1.00 0.00 H new ATOM 0 HD3 PRO A 74 6.998 10.552 -21.908 1.00 0.00 H new ATOM 1165 N ASP A 75 7.013 15.165 -21.322 1.00 0.00 N ATOM 1166 CA ASP A 75 6.678 16.576 -21.154 1.00 0.00 C ATOM 1167 C ASP A 75 6.405 16.887 -19.690 1.00 0.00 C ATOM 1168 O ASP A 75 6.962 17.842 -19.160 1.00 0.00 O ATOM 1169 CB ASP A 75 5.454 16.960 -21.994 1.00 0.00 C ATOM 1170 CG ASP A 75 5.042 18.416 -21.717 1.00 0.00 C ATOM 1171 OD1 ASP A 75 5.589 19.334 -22.367 1.00 0.00 O ATOM 1172 OD2 ASP A 75 4.145 18.649 -20.875 1.00 0.00 O ATOM 0 H ASP A 75 6.357 14.648 -21.907 1.00 0.00 H new ATOM 0 HA ASP A 75 7.532 17.160 -21.496 1.00 0.00 H new ATOM 0 HB2 ASP A 75 5.680 16.835 -23.053 1.00 0.00 H new ATOM 0 HB3 ASP A 75 4.624 16.292 -21.764 1.00 0.00 H new ATOM 1177 N GLU A 76 5.594 16.063 -19.020 1.00 0.00 N ATOM 1178 CA GLU A 76 5.206 16.300 -17.633 1.00 0.00 C ATOM 1179 C GLU A 76 6.413 16.189 -16.698 1.00 0.00 C ATOM 1180 O GLU A 76 6.463 16.894 -15.689 1.00 0.00 O ATOM 1181 CB GLU A 76 4.085 15.345 -17.190 1.00 0.00 C ATOM 1182 CG GLU A 76 2.797 15.547 -18.005 1.00 0.00 C ATOM 1183 CD GLU A 76 1.656 14.638 -17.519 1.00 0.00 C ATOM 1184 OE1 GLU A 76 0.945 15.008 -16.556 1.00 0.00 O ATOM 1185 OE2 GLU A 76 1.442 13.560 -18.119 1.00 0.00 O ATOM 0 H GLU A 76 5.191 15.218 -19.425 1.00 0.00 H new ATOM 0 HA GLU A 76 4.819 17.317 -17.572 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.424 14.315 -17.298 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.873 15.502 -16.132 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.484 16.589 -17.936 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.999 15.344 -19.057 1.00 0.00 H new ATOM 1192 N TRP A 77 7.383 15.330 -17.019 1.00 0.00 N ATOM 1193 CA TRP A 77 8.630 15.208 -16.281 1.00 0.00 C ATOM 1194 C TRP A 77 9.408 16.517 -16.385 1.00 0.00 C ATOM 1195 O TRP A 77 9.728 17.117 -15.357 1.00 0.00 O ATOM 1196 CB TRP A 77 9.419 14.003 -16.825 1.00 0.00 C ATOM 1197 CG TRP A 77 10.873 13.916 -16.476 1.00 0.00 C ATOM 1198 CD1 TRP A 77 11.403 14.056 -15.241 1.00 0.00 C ATOM 1199 CD2 TRP A 77 12.008 13.694 -17.369 1.00 0.00 C ATOM 1200 NE1 TRP A 77 12.777 13.927 -15.305 1.00 0.00 N ATOM 1201 CE2 TRP A 77 13.209 13.722 -16.596 1.00 0.00 C ATOM 1202 CE3 TRP A 77 12.148 13.484 -18.759 1.00 0.00 C ATOM 1203 CZ2 TRP A 77 14.477 13.563 -17.175 1.00 0.00 C ATOM 1204 CZ3 TRP A 77 13.415 13.317 -19.349 1.00 0.00 C ATOM 1205 CH2 TRP A 77 14.580 13.359 -18.561 1.00 0.00 C ATOM 0 H TRP A 77 7.317 14.692 -17.812 1.00 0.00 H new ATOM 0 HA TRP A 77 8.442 15.027 -15.223 1.00 0.00 H new ATOM 0 HB2 TRP A 77 8.933 13.094 -16.470 1.00 0.00 H new ATOM 0 HB3 TRP A 77 9.333 14.007 -17.912 1.00 0.00 H new ATOM 0 HD1 TRP A 77 10.838 14.241 -14.340 1.00 0.00 H new ATOM 0 HE1 TRP A 77 13.395 13.977 -14.495 1.00 0.00 H new ATOM 0 HE3 TRP A 77 11.266 13.451 -19.381 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 15.365 13.597 -16.561 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 13.494 13.155 -20.414 1.00 0.00 H new ATOM 0 HH2 TRP A 77 15.550 13.235 -19.020 1.00 0.00 H new ATOM 1216 N GLU A 78 9.682 16.999 -17.598 1.00 0.00 N ATOM 1217 CA GLU A 78 10.516 18.185 -17.775 1.00 0.00 C ATOM 1218 C GLU A 78 9.797 19.447 -17.283 1.00 0.00 C ATOM 1219 O GLU A 78 10.419 20.330 -16.696 1.00 0.00 O ATOM 1220 CB GLU A 78 10.964 18.309 -19.236 1.00 0.00 C ATOM 1221 CG GLU A 78 11.926 17.171 -19.614 1.00 0.00 C ATOM 1222 CD GLU A 78 12.520 17.376 -21.019 1.00 0.00 C ATOM 1223 OE1 GLU A 78 11.886 16.988 -22.027 1.00 0.00 O ATOM 1224 OE2 GLU A 78 13.640 17.924 -21.134 1.00 0.00 O ATOM 0 H GLU A 78 9.340 16.588 -18.467 1.00 0.00 H new ATOM 0 HA GLU A 78 11.411 18.075 -17.163 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.093 18.286 -19.891 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.454 19.271 -19.390 1.00 0.00 H new ATOM 0 HG2 GLU A 78 12.732 17.116 -18.882 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.397 16.219 -19.577 1.00 0.00 H new ATOM 1231 N ARG A 79 8.475 19.506 -17.440 1.00 0.00 N ATOM 1232 CA ARG A 79 7.613 20.533 -16.871 1.00 0.00 C ATOM 1233 C ARG A 79 7.803 20.591 -15.360 1.00 0.00 C ATOM 1234 O ARG A 79 8.104 21.659 -14.825 1.00 0.00 O ATOM 1235 CB ARG A 79 6.180 20.169 -17.284 1.00 0.00 C ATOM 1236 CG ARG A 79 5.045 21.048 -16.745 1.00 0.00 C ATOM 1237 CD ARG A 79 3.696 20.417 -17.133 1.00 0.00 C ATOM 1238 NE ARG A 79 3.494 20.370 -18.594 1.00 0.00 N ATOM 1239 CZ ARG A 79 2.906 21.297 -19.357 1.00 0.00 C ATOM 1240 NH1 ARG A 79 2.401 22.413 -18.836 1.00 0.00 N ATOM 1241 NH2 ARG A 79 2.844 21.074 -20.662 1.00 0.00 N ATOM 0 H ARG A 79 7.960 18.815 -17.986 1.00 0.00 H new ATOM 0 HA ARG A 79 7.853 21.531 -17.237 1.00 0.00 H new ATOM 0 HB2 ARG A 79 6.129 20.184 -18.373 1.00 0.00 H new ATOM 0 HB3 ARG A 79 5.989 19.143 -16.970 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.121 21.138 -15.661 1.00 0.00 H new ATOM 0 HG3 ARG A 79 5.121 22.055 -17.155 1.00 0.00 H new ATOM 0 HD2 ARG A 79 3.642 19.406 -16.729 1.00 0.00 H new ATOM 0 HD3 ARG A 79 2.887 20.987 -16.676 1.00 0.00 H new ATOM 0 HE ARG A 79 3.841 19.540 -19.074 1.00 0.00 H new ATOM 0 HH11 ARG A 79 2.457 22.578 -17.831 1.00 0.00 H new ATOM 0 HH12 ARG A 79 1.958 23.104 -19.442 1.00 0.00 H new ATOM 0 HH21 ARG A 79 3.237 20.218 -21.052 1.00 0.00 H new ATOM 0 HH22 ARG A 79 2.403 21.759 -21.276 1.00 0.00 H new ATOM 1255 N GLN A 80 7.691 19.457 -14.665 1.00 0.00 N ATOM 1256 CA GLN A 80 7.900 19.419 -13.224 1.00 0.00 C ATOM 1257 C GLN A 80 9.343 19.798 -12.876 1.00 0.00 C ATOM 1258 O GLN A 80 9.549 20.481 -11.878 1.00 0.00 O ATOM 1259 CB GLN A 80 7.462 18.060 -12.647 1.00 0.00 C ATOM 1260 CG GLN A 80 5.925 17.980 -12.612 1.00 0.00 C ATOM 1261 CD GLN A 80 5.384 16.580 -12.339 1.00 0.00 C ATOM 1262 OE1 GLN A 80 5.157 16.181 -11.201 1.00 0.00 O ATOM 1263 NE2 GLN A 80 5.133 15.821 -13.394 1.00 0.00 N ATOM 0 H GLN A 80 7.457 18.555 -15.081 1.00 0.00 H new ATOM 0 HA GLN A 80 7.268 20.168 -12.747 1.00 0.00 H new ATOM 0 HB2 GLN A 80 7.864 17.250 -13.255 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.865 17.934 -11.642 1.00 0.00 H new ATOM 0 HG2 GLN A 80 5.553 18.658 -11.844 1.00 0.00 H new ATOM 0 HG3 GLN A 80 5.531 18.331 -13.566 1.00 0.00 H new ATOM 0 HE21 GLN A 80 5.329 16.171 -14.332 1.00 0.00 H new ATOM 0 HE22 GLN A 80 4.744 14.886 -13.269 1.00 0.00 H new ATOM 1272 N CYS A 81 10.341 19.466 -13.704 1.00 0.00 N ATOM 1273 CA CYS A 81 11.721 19.897 -13.473 1.00 0.00 C ATOM 1274 C CYS A 81 11.875 21.423 -13.525 1.00 0.00 C ATOM 1275 O CYS A 81 12.666 21.977 -12.761 1.00 0.00 O ATOM 1276 CB CYS A 81 12.676 19.249 -14.479 1.00 0.00 C ATOM 1277 SG CYS A 81 12.671 17.443 -14.293 1.00 0.00 S ATOM 0 H CYS A 81 10.216 18.898 -14.542 1.00 0.00 H new ATOM 0 HA CYS A 81 11.980 19.569 -12.466 1.00 0.00 H new ATOM 0 HB2 CYS A 81 12.380 19.516 -15.493 1.00 0.00 H new ATOM 0 HB3 CYS A 81 13.685 19.633 -14.330 1.00 0.00 H new ATOM 0 HG CYS A 81 11.520 16.971 -14.671 1.00 0.00 H new ATOM 1283 N LYS A 82 11.120 22.134 -14.372 1.00 0.00 N ATOM 1284 CA LYS A 82 11.114 23.592 -14.358 1.00 0.00 C ATOM 1285 C LYS A 82 10.542 24.058 -13.034 1.00 0.00 C ATOM 1286 O LYS A 82 11.140 24.917 -12.392 1.00 0.00 O ATOM 1287 CB LYS A 82 10.325 24.188 -15.534 1.00 0.00 C ATOM 1288 CG LYS A 82 11.000 23.914 -16.886 1.00 0.00 C ATOM 1289 CD LYS A 82 10.182 24.502 -18.042 1.00 0.00 C ATOM 1290 CE LYS A 82 10.875 24.200 -19.378 1.00 0.00 C ATOM 1291 NZ LYS A 82 10.130 24.752 -20.538 1.00 0.00 N ATOM 0 H LYS A 82 10.507 21.718 -15.073 1.00 0.00 H new ATOM 0 HA LYS A 82 12.139 23.944 -14.472 1.00 0.00 H new ATOM 0 HB2 LYS A 82 9.318 23.771 -15.542 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.223 25.264 -15.392 1.00 0.00 H new ATOM 0 HG2 LYS A 82 12.001 24.344 -16.890 1.00 0.00 H new ATOM 0 HG3 LYS A 82 11.114 22.839 -17.027 1.00 0.00 H new ATOM 0 HD2 LYS A 82 9.177 24.080 -18.040 1.00 0.00 H new ATOM 0 HD3 LYS A 82 10.075 25.579 -17.913 1.00 0.00 H new ATOM 0 HE2 LYS A 82 11.882 24.617 -19.364 1.00 0.00 H new ATOM 0 HE3 LYS A 82 10.978 23.121 -19.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.637 24.523 -21.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 9.177 24.336 -20.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 10.054 25.785 -20.442 1.00 0.00 H new ATOM 1305 N VAL A 83 9.436 23.465 -12.587 1.00 0.00 N ATOM 1306 CA VAL A 83 8.822 23.831 -11.319 1.00 0.00 C ATOM 1307 C VAL A 83 9.776 23.530 -10.147 1.00 0.00 C ATOM 1308 O VAL A 83 9.795 24.294 -9.182 1.00 0.00 O ATOM 1309 CB VAL A 83 7.427 23.183 -11.177 1.00 0.00 C ATOM 1310 CG1 VAL A 83 6.734 23.591 -9.868 1.00 0.00 C ATOM 1311 CG2 VAL A 83 6.500 23.602 -12.334 1.00 0.00 C ATOM 0 H VAL A 83 8.947 22.725 -13.090 1.00 0.00 H new ATOM 0 HA VAL A 83 8.651 24.907 -11.296 1.00 0.00 H new ATOM 0 HB VAL A 83 7.595 22.106 -11.187 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.756 23.113 -9.810 1.00 0.00 H new ATOM 0 HG12 VAL A 83 7.343 23.277 -9.021 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.610 24.674 -9.844 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.525 23.131 -12.208 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.382 24.686 -12.332 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.936 23.286 -13.282 1.00 0.00 H new ATOM 1321 N ALA A 84 10.628 22.500 -10.247 1.00 0.00 N ATOM 1322 CA ALA A 84 11.682 22.219 -9.274 1.00 0.00 C ATOM 1323 C ALA A 84 12.583 23.442 -9.105 1.00 0.00 C ATOM 1324 O ALA A 84 12.824 23.903 -7.990 1.00 0.00 O ATOM 1325 CB ALA A 84 12.521 21.012 -9.725 1.00 0.00 C ATOM 0 H ALA A 84 10.600 21.832 -11.018 1.00 0.00 H new ATOM 0 HA ALA A 84 11.215 21.985 -8.317 1.00 0.00 H new ATOM 0 HB1 ALA A 84 13.301 20.816 -8.990 1.00 0.00 H new ATOM 0 HB2 ALA A 84 11.879 20.136 -9.815 1.00 0.00 H new ATOM 0 HB3 ALA A 84 12.978 21.227 -10.691 1.00 0.00 H new ATOM 1331 N GLY A 85 13.017 24.012 -10.232 1.00 0.00 N ATOM 1332 CA GLY A 85 13.820 25.222 -10.282 1.00 0.00 C ATOM 1333 C GLY A 85 12.986 26.497 -10.144 1.00 0.00 C ATOM 1334 O GLY A 85 13.492 27.567 -10.470 1.00 0.00 O ATOM 0 H GLY A 85 12.811 23.630 -11.155 1.00 0.00 H new ATOM 0 HA2 GLY A 85 14.563 25.192 -9.485 1.00 0.00 H new ATOM 0 HA3 GLY A 85 14.365 25.251 -11.225 1.00 0.00 H new ATOM 1338 N LYS A 86 11.722 26.416 -9.701 1.00 0.00 N ATOM 1339 CA LYS A 86 10.786 27.541 -9.585 1.00 0.00 C ATOM 1340 C LYS A 86 10.692 28.355 -10.890 1.00 0.00 C ATOM 1341 O LYS A 86 10.509 29.573 -10.866 1.00 0.00 O ATOM 1342 CB LYS A 86 11.135 28.358 -8.323 1.00 0.00 C ATOM 1343 CG LYS A 86 9.932 29.119 -7.745 1.00 0.00 C ATOM 1344 CD LYS A 86 10.347 29.938 -6.512 1.00 0.00 C ATOM 1345 CE LYS A 86 9.155 30.638 -5.838 1.00 0.00 C ATOM 1346 NZ LYS A 86 8.567 31.720 -6.669 1.00 0.00 N ATOM 0 H LYS A 86 11.310 25.532 -9.403 1.00 0.00 H new ATOM 0 HA LYS A 86 9.770 27.172 -9.448 1.00 0.00 H new ATOM 0 HB2 LYS A 86 11.533 27.687 -7.562 1.00 0.00 H new ATOM 0 HB3 LYS A 86 11.925 29.069 -8.565 1.00 0.00 H new ATOM 0 HG2 LYS A 86 9.516 29.781 -8.504 1.00 0.00 H new ATOM 0 HG3 LYS A 86 9.147 28.414 -7.472 1.00 0.00 H new ATOM 0 HD2 LYS A 86 10.833 29.281 -5.791 1.00 0.00 H new ATOM 0 HD3 LYS A 86 11.083 30.686 -6.808 1.00 0.00 H new ATOM 0 HE2 LYS A 86 8.385 29.899 -5.617 1.00 0.00 H new ATOM 0 HE3 LYS A 86 9.479 31.056 -4.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 7.769 32.153 -6.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 9.290 32.443 -6.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 8.230 31.322 -7.569 1.00 0.00 H new ATOM 1360 N THR A 87 10.831 27.675 -12.031 1.00 0.00 N ATOM 1361 CA THR A 87 10.793 28.237 -13.377 1.00 0.00 C ATOM 1362 C THR A 87 11.802 29.399 -13.527 1.00 0.00 C ATOM 1363 O THR A 87 11.537 30.399 -14.201 1.00 0.00 O ATOM 1364 CB THR A 87 9.326 28.545 -13.759 1.00 0.00 C ATOM 1365 OG1 THR A 87 8.460 27.539 -13.246 1.00 0.00 O ATOM 1366 CG2 THR A 87 9.108 28.581 -15.277 1.00 0.00 C ATOM 0 H THR A 87 10.981 26.666 -12.038 1.00 0.00 H new ATOM 0 HA THR A 87 11.138 27.514 -14.116 1.00 0.00 H new ATOM 0 HB THR A 87 9.107 29.525 -13.335 1.00 0.00 H new ATOM 0 HG1 THR A 87 7.535 27.747 -13.493 1.00 0.00 H new ATOM 0 HG21 THR A 87 8.062 28.801 -15.489 1.00 0.00 H new ATOM 0 HG22 THR A 87 9.738 29.354 -15.717 1.00 0.00 H new ATOM 0 HG23 THR A 87 9.369 27.613 -15.705 1.00 0.00 H new ATOM 1374 N GLN A 88 12.962 29.278 -12.866 1.00 0.00 N ATOM 1375 CA GLN A 88 14.082 30.203 -13.000 1.00 0.00 C ATOM 1376 C GLN A 88 14.552 30.207 -14.456 1.00 0.00 C ATOM 1377 O GLN A 88 14.743 29.115 -15.034 1.00 0.00 O ATOM 1378 CB GLN A 88 15.195 29.796 -12.017 1.00 0.00 C ATOM 1379 CG GLN A 88 16.407 30.741 -12.023 1.00 0.00 C ATOM 1380 CD GLN A 88 17.450 30.379 -10.955 1.00 0.00 C ATOM 1381 OE1 GLN A 88 17.505 29.262 -10.442 1.00 0.00 O ATOM 1382 NE2 GLN A 88 18.304 31.319 -10.585 1.00 0.00 N ATOM 1383 OXT GLN A 88 14.727 31.303 -15.026 1.00 0.00 O ATOM 0 H GLN A 88 13.145 28.517 -12.212 1.00 0.00 H new ATOM 0 HA GLN A 88 13.784 31.221 -12.748 1.00 0.00 H new ATOM 0 HB2 GLN A 88 14.781 29.759 -11.009 1.00 0.00 H new ATOM 0 HB3 GLN A 88 15.531 28.788 -12.261 1.00 0.00 H new ATOM 0 HG2 GLN A 88 16.877 30.716 -13.006 1.00 0.00 H new ATOM 0 HG3 GLN A 88 16.066 31.763 -11.859 1.00 0.00 H new ATOM 0 HE21 GLN A 88 18.259 32.245 -11.010 1.00 0.00 H new ATOM 0 HE22 GLN A 88 19.008 31.118 -9.875 1.00 0.00 H new TER 1392 GLN A 88