USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 760 hydrogens (30 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 73 MET CE :methyl 170:sc= -0.0208 (180deg=-0.219) USER MOD Set 1.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 59 TYR OH : rot 180:sc= 0.276 USER MOD Set 2.2: A 63 LYS NZ :NH3+ -167:sc= 1.59 (180deg=1.13) USER MOD Set 3.1: A 53 MET CE :methyl -172:sc= -0.0165 (180deg=-0.247) USER MOD Set 3.2: A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN :FLIP amide:sc= -0.464 F(o=-1.6!,f=-0.46) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.0503 X(o=-0.05,f=-0.47) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl 173:sc= 0 (180deg=-0.0627) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0655 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.475 K(o=0.47,f=-0.61) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0.116 X(o=0.12,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN :FLIP amide:sc= -0.0289 F(o=-1.1,f=-0.029) USER MOD Single : A 69 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.13) USER MOD Single : A 71 GLN : amide:sc= 0.209 K(o=0.21,f=-3.4!) USER MOD Single : A 72 HIS : no HD1:sc= -0.0221 K(o=-0.022,f=-2.1!) USER MOD Single : A 76 CYS SG : rot 22:sc= 0.192 USER MOD Single : A 88 GLN : amide:sc= -0.0567 K(o=-0.057,f=-1) USER MOD Single : A 89 SER OG : rot 180:sc= 0.282 USER MOD Single : A 91 SER OG : rot 180:sc= 0.562 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot -35:sc= 0.0701 USER MOD Single : A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.0425 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 23 15.768 5.390 10.848 1.00 0.00 N ATOM 2 CA GLN A 23 15.752 4.690 9.561 1.00 0.00 C ATOM 3 C GLN A 23 14.315 4.352 9.108 1.00 0.00 C ATOM 4 O GLN A 23 13.455 4.025 9.932 1.00 0.00 O ATOM 5 CB GLN A 23 16.645 3.438 9.669 1.00 0.00 C ATOM 6 CG GLN A 23 16.870 2.724 8.326 1.00 0.00 C ATOM 7 CD GLN A 23 17.885 1.588 8.453 1.00 0.00 C ATOM 8 OE1 GLN A 23 19.053 1.716 8.103 1.00 0.00 O ATOM 9 NE2 GLN A 23 17.496 0.437 8.966 1.00 0.00 N ATOM 0 HA GLN A 23 16.154 5.344 8.787 1.00 0.00 H new ATOM 0 HB2 GLN A 23 17.611 3.726 10.084 1.00 0.00 H new ATOM 0 HB3 GLN A 23 16.192 2.738 10.371 1.00 0.00 H new ATOM 0 HG2 GLN A 23 15.923 2.327 7.962 1.00 0.00 H new ATOM 0 HG3 GLN A 23 17.220 3.443 7.585 1.00 0.00 H new ATOM 0 HE21 GLN A 23 16.528 0.312 9.263 1.00 0.00 H new ATOM 0 HE22 GLN A 23 18.163 -0.328 9.066 1.00 0.00 H new ATOM 18 N ILE A 24 14.060 4.418 7.794 1.00 0.00 N ATOM 19 CA ILE A 24 12.753 4.188 7.159 1.00 0.00 C ATOM 20 C ILE A 24 12.844 3.328 5.891 1.00 0.00 C ATOM 21 O ILE A 24 13.889 3.241 5.246 1.00 0.00 O ATOM 22 CB ILE A 24 12.034 5.522 6.850 1.00 0.00 C ATOM 23 CG1 ILE A 24 12.943 6.623 6.241 1.00 0.00 C ATOM 24 CG2 ILE A 24 11.276 6.024 8.086 1.00 0.00 C ATOM 25 CD1 ILE A 24 12.239 7.953 5.919 1.00 0.00 C ATOM 0 H ILE A 24 14.788 4.642 7.116 1.00 0.00 H new ATOM 0 HA ILE A 24 12.163 3.628 7.885 1.00 0.00 H new ATOM 0 HB ILE A 24 11.317 5.298 6.060 1.00 0.00 H new ATOM 0 HG12 ILE A 24 13.760 6.822 6.935 1.00 0.00 H new ATOM 0 HG13 ILE A 24 13.390 6.236 5.325 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.776 6.963 7.850 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.534 5.283 8.383 1.00 0.00 H new ATOM 0 HG23 ILE A 24 11.979 6.182 8.904 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.960 8.654 5.499 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.441 7.777 5.198 1.00 0.00 H new ATOM 0 HD13 ILE A 24 11.816 8.371 6.832 1.00 0.00 H new ATOM 37 N ASN A 25 11.717 2.711 5.513 1.00 0.00 N ATOM 38 CA ASN A 25 11.618 1.709 4.441 1.00 0.00 C ATOM 39 C ASN A 25 11.283 2.347 3.076 1.00 0.00 C ATOM 40 O ASN A 25 10.236 2.109 2.477 1.00 0.00 O ATOM 41 CB ASN A 25 10.644 0.601 4.888 1.00 0.00 C ATOM 42 CG ASN A 25 10.895 0.107 6.308 1.00 0.00 C ATOM 43 OD1 ASN A 25 10.077 0.277 7.201 1.00 0.00 O ATOM 44 ND2 ASN A 25 12.042 -0.474 6.584 1.00 0.00 N ATOM 0 H ASN A 25 10.819 2.901 5.959 1.00 0.00 H new ATOM 0 HA ASN A 25 12.589 1.242 4.274 1.00 0.00 H new ATOM 0 HB2 ASN A 25 9.623 0.976 4.817 1.00 0.00 H new ATOM 0 HB3 ASN A 25 10.723 -0.241 4.200 1.00 0.00 H new ATOM 0 HD21 ASN A 25 12.243 -0.779 7.536 1.00 0.00 H new ATOM 0 HD22 ASN A 25 12.730 -0.620 5.846 1.00 0.00 H new ATOM 51 N GLN A 26 12.108 3.317 2.695 1.00 0.00 N ATOM 52 CA GLN A 26 11.957 4.274 1.585 1.00 0.00 C ATOM 53 C GLN A 26 13.327 4.924 1.268 1.00 0.00 C ATOM 54 O GLN A 26 14.357 4.512 1.807 1.00 0.00 O ATOM 55 CB GLN A 26 10.831 5.281 1.899 1.00 0.00 C ATOM 56 CG GLN A 26 10.813 5.855 3.327 1.00 0.00 C ATOM 57 CD GLN A 26 9.532 5.551 4.117 1.00 0.00 C ATOM 58 OE1 GLN A 26 9.053 4.321 4.137 1.00 0.00 O flip ATOM 59 NE2 GLN A 26 8.979 6.411 4.786 1.00 0.00 N flip ATOM 0 H GLN A 26 12.982 3.474 3.196 1.00 0.00 H new ATOM 0 HA GLN A 26 11.646 3.762 0.674 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.908 6.111 1.197 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.874 4.794 1.713 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.667 5.458 3.876 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.944 6.936 3.273 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.335 7.367 4.783 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.161 6.173 5.348 1.00 0.00 H new ATOM 68 N VAL A 27 13.358 5.901 0.357 1.00 0.00 N ATOM 69 CA VAL A 27 14.582 6.490 -0.228 1.00 0.00 C ATOM 70 C VAL A 27 15.114 7.675 0.602 1.00 0.00 C ATOM 71 O VAL A 27 14.530 8.019 1.626 1.00 0.00 O ATOM 72 CB VAL A 27 14.351 6.894 -1.714 1.00 0.00 C ATOM 73 CG1 VAL A 27 14.823 5.781 -2.639 1.00 0.00 C ATOM 74 CG2 VAL A 27 12.901 7.209 -2.114 1.00 0.00 C ATOM 0 H VAL A 27 12.506 6.323 -0.011 1.00 0.00 H new ATOM 0 HA VAL A 27 15.353 5.720 -0.203 1.00 0.00 H new ATOM 0 HB VAL A 27 14.921 7.817 -1.815 1.00 0.00 H new ATOM 0 HG11 VAL A 27 14.657 6.074 -3.676 1.00 0.00 H new ATOM 0 HG12 VAL A 27 15.886 5.601 -2.479 1.00 0.00 H new ATOM 0 HG13 VAL A 27 14.265 4.869 -2.426 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.865 7.477 -3.170 1.00 0.00 H new ATOM 0 HG22 VAL A 27 12.277 6.332 -1.941 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.531 8.042 -1.515 1.00 0.00 H new ATOM 84 N ARG A 28 16.309 8.177 0.239 1.00 0.00 N ATOM 85 CA ARG A 28 17.003 9.417 0.659 1.00 0.00 C ATOM 86 C ARG A 28 18.100 9.740 -0.396 1.00 0.00 C ATOM 87 O ARG A 28 18.695 8.791 -0.912 1.00 0.00 O ATOM 88 CB ARG A 28 17.634 9.255 2.063 1.00 0.00 C ATOM 89 CG ARG A 28 18.410 10.517 2.496 1.00 0.00 C ATOM 90 CD ARG A 28 18.969 10.477 3.920 1.00 0.00 C ATOM 91 NE ARG A 28 19.982 9.415 4.100 1.00 0.00 N ATOM 92 CZ ARG A 28 21.263 9.448 3.767 1.00 0.00 C ATOM 93 NH1 ARG A 28 21.807 10.466 3.159 1.00 0.00 N ATOM 94 NH2 ARG A 28 22.035 8.437 4.043 1.00 0.00 N ATOM 0 H ARG A 28 16.881 7.666 -0.434 1.00 0.00 H new ATOM 0 HA ARG A 28 16.285 10.235 0.720 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.850 9.043 2.791 1.00 0.00 H new ATOM 0 HB3 ARG A 28 18.307 8.398 2.061 1.00 0.00 H new ATOM 0 HG2 ARG A 28 19.236 10.673 1.802 1.00 0.00 H new ATOM 0 HG3 ARG A 28 17.750 11.380 2.405 1.00 0.00 H new ATOM 0 HD2 ARG A 28 19.413 11.443 4.160 1.00 0.00 H new ATOM 0 HD3 ARG A 28 18.152 10.318 4.624 1.00 0.00 H new ATOM 0 HE ARG A 28 19.654 8.552 4.533 1.00 0.00 H new ATOM 0 HH11 ARG A 28 21.241 11.280 2.921 1.00 0.00 H new ATOM 0 HH12 ARG A 28 22.799 10.448 2.922 1.00 0.00 H new ATOM 0 HH21 ARG A 28 21.653 7.618 4.516 1.00 0.00 H new ATOM 0 HH22 ARG A 28 23.022 8.464 3.786 1.00 0.00 H new ATOM 108 N PRO A 29 18.408 11.019 -0.714 1.00 0.00 N ATOM 109 CA PRO A 29 19.400 11.393 -1.732 1.00 0.00 C ATOM 110 C PRO A 29 20.745 11.878 -1.155 1.00 0.00 C ATOM 111 O PRO A 29 20.887 12.128 0.045 1.00 0.00 O ATOM 112 CB PRO A 29 18.741 12.541 -2.520 1.00 0.00 C ATOM 113 CG PRO A 29 17.540 12.979 -1.683 1.00 0.00 C ATOM 114 CD PRO A 29 17.688 12.232 -0.362 1.00 0.00 C ATOM 0 HA PRO A 29 19.650 10.520 -2.334 1.00 0.00 H new ATOM 0 HB2 PRO A 29 19.438 13.366 -2.667 1.00 0.00 H new ATOM 0 HB3 PRO A 29 18.428 12.208 -3.510 1.00 0.00 H new ATOM 0 HG2 PRO A 29 17.539 14.058 -1.529 1.00 0.00 H new ATOM 0 HG3 PRO A 29 16.601 12.727 -2.177 1.00 0.00 H new ATOM 0 HD2 PRO A 29 18.239 12.823 0.370 1.00 0.00 H new ATOM 0 HD3 PRO A 29 16.717 12.005 0.077 1.00 0.00 H new ATOM 122 N LYS A 30 21.719 12.068 -2.054 1.00 0.00 N ATOM 123 CA LYS A 30 22.992 12.770 -1.798 1.00 0.00 C ATOM 124 C LYS A 30 22.763 14.273 -2.031 1.00 0.00 C ATOM 125 O LYS A 30 21.840 14.635 -2.761 1.00 0.00 O ATOM 126 CB LYS A 30 24.084 12.166 -2.706 1.00 0.00 C ATOM 127 CG LYS A 30 25.506 12.595 -2.311 1.00 0.00 C ATOM 128 CD LYS A 30 26.552 12.006 -3.265 1.00 0.00 C ATOM 129 CE LYS A 30 27.954 12.465 -2.839 1.00 0.00 C ATOM 130 NZ LYS A 30 29.011 11.907 -3.727 1.00 0.00 N ATOM 0 H LYS A 30 21.644 11.728 -3.013 1.00 0.00 H new ATOM 0 HA LYS A 30 23.334 12.646 -0.770 1.00 0.00 H new ATOM 0 HB2 LYS A 30 24.016 11.079 -2.670 1.00 0.00 H new ATOM 0 HB3 LYS A 30 23.895 12.463 -3.737 1.00 0.00 H new ATOM 0 HG2 LYS A 30 25.575 13.683 -2.319 1.00 0.00 H new ATOM 0 HG3 LYS A 30 25.716 12.270 -1.292 1.00 0.00 H new ATOM 0 HD2 LYS A 30 26.496 10.917 -3.255 1.00 0.00 H new ATOM 0 HD3 LYS A 30 26.348 12.326 -4.287 1.00 0.00 H new ATOM 0 HE2 LYS A 30 28.001 13.554 -2.857 1.00 0.00 H new ATOM 0 HE3 LYS A 30 28.142 12.155 -1.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 29.943 12.239 -3.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 28.982 10.868 -3.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 28.847 12.224 -4.704 1.00 0.00 H new ATOM 144 N LEU A 31 23.592 15.156 -1.471 1.00 0.00 N ATOM 145 CA LEU A 31 23.398 16.621 -1.517 1.00 0.00 C ATOM 146 C LEU A 31 23.090 17.193 -2.926 1.00 0.00 C ATOM 147 O LEU A 31 22.105 17.925 -3.040 1.00 0.00 O ATOM 148 CB LEU A 31 24.598 17.334 -0.845 1.00 0.00 C ATOM 149 CG LEU A 31 24.534 17.527 0.685 1.00 0.00 C ATOM 150 CD1 LEU A 31 23.402 18.469 1.105 1.00 0.00 C ATOM 151 CD2 LEU A 31 24.386 16.216 1.458 1.00 0.00 C ATOM 0 H LEU A 31 24.432 14.877 -0.963 1.00 0.00 H new ATOM 0 HA LEU A 31 22.491 16.829 -0.949 1.00 0.00 H new ATOM 0 HB2 LEU A 31 25.501 16.769 -1.077 1.00 0.00 H new ATOM 0 HB3 LEU A 31 24.709 18.316 -1.305 1.00 0.00 H new ATOM 0 HG LEU A 31 25.496 17.972 0.941 1.00 0.00 H new ATOM 0 HD11 LEU A 31 23.398 18.572 2.190 1.00 0.00 H new ATOM 0 HD12 LEU A 31 23.554 19.447 0.648 1.00 0.00 H new ATOM 0 HD13 LEU A 31 22.447 18.059 0.777 1.00 0.00 H new ATOM 0 HD21 LEU A 31 24.348 16.426 2.527 1.00 0.00 H new ATOM 0 HD22 LEU A 31 23.467 15.716 1.153 1.00 0.00 H new ATOM 0 HD23 LEU A 31 25.238 15.570 1.246 1.00 0.00 H new ATOM 163 N PRO A 32 23.802 16.824 -4.017 1.00 0.00 N ATOM 164 CA PRO A 32 23.489 17.307 -5.372 1.00 0.00 C ATOM 165 C PRO A 32 22.143 16.828 -5.926 1.00 0.00 C ATOM 166 O PRO A 32 21.566 17.508 -6.770 1.00 0.00 O ATOM 167 CB PRO A 32 24.644 16.831 -6.264 1.00 0.00 C ATOM 168 CG PRO A 32 25.793 16.624 -5.282 1.00 0.00 C ATOM 169 CD PRO A 32 25.067 16.101 -4.048 1.00 0.00 C ATOM 0 HA PRO A 32 23.390 18.392 -5.347 1.00 0.00 H new ATOM 0 HB2 PRO A 32 24.393 15.908 -6.787 1.00 0.00 H new ATOM 0 HB3 PRO A 32 24.895 17.571 -7.024 1.00 0.00 H new ATOM 0 HG2 PRO A 32 26.526 15.910 -5.657 1.00 0.00 H new ATOM 0 HG3 PRO A 32 26.327 17.552 -5.078 1.00 0.00 H new ATOM 0 HD2 PRO A 32 24.905 15.025 -4.113 1.00 0.00 H new ATOM 0 HD3 PRO A 32 25.647 16.282 -3.143 1.00 0.00 H new ATOM 177 N LEU A 33 21.622 15.690 -5.448 1.00 0.00 N ATOM 178 CA LEU A 33 20.325 15.137 -5.861 1.00 0.00 C ATOM 179 C LEU A 33 19.166 15.685 -5.005 1.00 0.00 C ATOM 180 O LEU A 33 18.098 16.004 -5.521 1.00 0.00 O ATOM 181 CB LEU A 33 20.405 13.598 -5.850 1.00 0.00 C ATOM 182 CG LEU A 33 21.558 12.983 -6.674 1.00 0.00 C ATOM 183 CD1 LEU A 33 21.425 11.461 -6.681 1.00 0.00 C ATOM 184 CD2 LEU A 33 21.608 13.472 -8.124 1.00 0.00 C ATOM 0 H LEU A 33 22.099 15.118 -4.751 1.00 0.00 H new ATOM 0 HA LEU A 33 20.104 15.459 -6.879 1.00 0.00 H new ATOM 0 HB2 LEU A 33 20.503 13.265 -4.817 1.00 0.00 H new ATOM 0 HB3 LEU A 33 19.462 13.200 -6.225 1.00 0.00 H new ATOM 0 HG LEU A 33 22.481 13.304 -6.192 1.00 0.00 H new ATOM 0 HD11 LEU A 33 22.239 11.027 -7.262 1.00 0.00 H new ATOM 0 HD12 LEU A 33 21.471 11.087 -5.658 1.00 0.00 H new ATOM 0 HD13 LEU A 33 20.471 11.181 -7.127 1.00 0.00 H new ATOM 0 HD21 LEU A 33 22.443 12.997 -8.640 1.00 0.00 H new ATOM 0 HD22 LEU A 33 20.676 13.214 -8.627 1.00 0.00 H new ATOM 0 HD23 LEU A 33 21.740 14.554 -8.139 1.00 0.00 H new ATOM 196 N LEU A 34 19.412 15.905 -3.710 1.00 0.00 N ATOM 197 CA LEU A 34 18.520 16.612 -2.775 1.00 0.00 C ATOM 198 C LEU A 34 18.303 18.072 -3.204 1.00 0.00 C ATOM 199 O LEU A 34 17.195 18.581 -3.056 1.00 0.00 O ATOM 200 CB LEU A 34 19.174 16.456 -1.378 1.00 0.00 C ATOM 201 CG LEU A 34 18.483 17.113 -0.162 1.00 0.00 C ATOM 202 CD1 LEU A 34 18.795 16.322 1.109 1.00 0.00 C ATOM 203 CD2 LEU A 34 18.997 18.538 0.055 1.00 0.00 C ATOM 0 H LEU A 34 20.271 15.584 -3.263 1.00 0.00 H new ATOM 0 HA LEU A 34 17.514 16.193 -2.760 1.00 0.00 H new ATOM 0 HB2 LEU A 34 19.264 15.390 -1.172 1.00 0.00 H new ATOM 0 HB3 LEU A 34 20.186 16.855 -1.440 1.00 0.00 H new ATOM 0 HG LEU A 34 17.412 17.125 -0.364 1.00 0.00 H new ATOM 0 HD11 LEU A 34 18.304 16.793 1.960 1.00 0.00 H new ATOM 0 HD12 LEU A 34 18.432 15.300 1.000 1.00 0.00 H new ATOM 0 HD13 LEU A 34 19.872 16.308 1.274 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.495 18.979 0.917 1.00 0.00 H new ATOM 0 HD22 LEU A 34 20.072 18.514 0.234 1.00 0.00 H new ATOM 0 HD23 LEU A 34 18.791 19.138 -0.831 1.00 0.00 H new ATOM 215 N LYS A 35 19.303 18.705 -3.834 1.00 0.00 N ATOM 216 CA LYS A 35 19.225 20.060 -4.423 1.00 0.00 C ATOM 217 C LYS A 35 18.090 20.193 -5.451 1.00 0.00 C ATOM 218 O LYS A 35 17.379 21.195 -5.492 1.00 0.00 O ATOM 219 CB LYS A 35 20.584 20.369 -5.092 1.00 0.00 C ATOM 220 CG LYS A 35 21.020 21.837 -5.010 1.00 0.00 C ATOM 221 CD LYS A 35 21.409 22.242 -3.576 1.00 0.00 C ATOM 222 CE LYS A 35 22.329 23.471 -3.550 1.00 0.00 C ATOM 223 NZ LYS A 35 21.645 24.717 -3.998 1.00 0.00 N ATOM 0 H LYS A 35 20.221 18.278 -3.954 1.00 0.00 H new ATOM 0 HA LYS A 35 19.006 20.772 -3.627 1.00 0.00 H new ATOM 0 HB2 LYS A 35 21.351 19.750 -4.627 1.00 0.00 H new ATOM 0 HB3 LYS A 35 20.532 20.078 -6.141 1.00 0.00 H new ATOM 0 HG2 LYS A 35 21.867 22.002 -5.676 1.00 0.00 H new ATOM 0 HG3 LYS A 35 20.210 22.476 -5.361 1.00 0.00 H new ATOM 0 HD2 LYS A 35 20.507 22.454 -3.003 1.00 0.00 H new ATOM 0 HD3 LYS A 35 21.909 21.406 -3.087 1.00 0.00 H new ATOM 0 HE2 LYS A 35 22.707 23.614 -2.538 1.00 0.00 H new ATOM 0 HE3 LYS A 35 23.192 23.286 -4.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 22.313 25.513 -3.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 21.307 24.596 -4.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 20.837 24.913 -3.373 1.00 0.00 H new ATOM 237 N ILE A 36 17.896 19.136 -6.243 1.00 0.00 N ATOM 238 CA ILE A 36 16.927 19.047 -7.348 1.00 0.00 C ATOM 239 C ILE A 36 15.507 19.085 -6.783 1.00 0.00 C ATOM 240 O ILE A 36 14.694 19.911 -7.179 1.00 0.00 O ATOM 241 CB ILE A 36 17.166 17.762 -8.186 1.00 0.00 C ATOM 242 CG1 ILE A 36 18.666 17.593 -8.512 1.00 0.00 C ATOM 243 CG2 ILE A 36 16.322 17.784 -9.473 1.00 0.00 C ATOM 244 CD1 ILE A 36 19.037 16.283 -9.206 1.00 0.00 C ATOM 0 H ILE A 36 18.433 18.276 -6.130 1.00 0.00 H new ATOM 0 HA ILE A 36 17.061 19.899 -8.014 1.00 0.00 H new ATOM 0 HB ILE A 36 16.851 16.904 -7.592 1.00 0.00 H new ATOM 0 HG12 ILE A 36 18.980 18.423 -9.146 1.00 0.00 H new ATOM 0 HG13 ILE A 36 19.234 17.668 -7.585 1.00 0.00 H new ATOM 0 HG21 ILE A 36 16.506 16.874 -10.044 1.00 0.00 H new ATOM 0 HG22 ILE A 36 15.265 17.843 -9.214 1.00 0.00 H new ATOM 0 HG23 ILE A 36 16.597 18.651 -10.074 1.00 0.00 H new ATOM 0 HD11 ILE A 36 20.111 16.261 -9.392 1.00 0.00 H new ATOM 0 HD12 ILE A 36 18.762 15.443 -8.569 1.00 0.00 H new ATOM 0 HD13 ILE A 36 18.504 16.210 -10.154 1.00 0.00 H new ATOM 256 N LEU A 37 15.221 18.237 -5.794 1.00 0.00 N ATOM 257 CA LEU A 37 13.928 18.233 -5.110 1.00 0.00 C ATOM 258 C LEU A 37 13.731 19.471 -4.207 1.00 0.00 C ATOM 259 O LEU A 37 12.617 19.983 -4.114 1.00 0.00 O ATOM 260 CB LEU A 37 13.675 16.811 -4.549 1.00 0.00 C ATOM 261 CG LEU A 37 13.152 15.917 -5.704 1.00 0.00 C ATOM 262 CD1 LEU A 37 13.433 14.439 -5.485 1.00 0.00 C ATOM 263 CD2 LEU A 37 11.642 16.071 -5.899 1.00 0.00 C ATOM 0 H LEU A 37 15.876 17.537 -5.446 1.00 0.00 H new ATOM 0 HA LEU A 37 13.089 18.394 -5.787 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.594 16.397 -4.135 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.948 16.847 -3.738 1.00 0.00 H new ATOM 0 HG LEU A 37 13.691 16.260 -6.587 1.00 0.00 H new ATOM 0 HD11 LEU A 37 13.043 13.866 -6.326 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.509 14.281 -5.405 1.00 0.00 H new ATOM 0 HD13 LEU A 37 12.949 14.109 -4.566 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.313 15.429 -6.717 1.00 0.00 H new ATOM 0 HD22 LEU A 37 11.126 15.784 -4.983 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.410 17.109 -6.137 1.00 0.00 H new ATOM 275 N HIS A 38 14.796 20.044 -3.631 1.00 0.00 N ATOM 276 CA HIS A 38 14.746 21.354 -2.948 1.00 0.00 C ATOM 277 C HIS A 38 14.347 22.499 -3.895 1.00 0.00 C ATOM 278 O HIS A 38 13.620 23.397 -3.469 1.00 0.00 O ATOM 279 CB HIS A 38 16.094 21.676 -2.280 1.00 0.00 C ATOM 280 CG HIS A 38 16.183 21.260 -0.832 1.00 0.00 C ATOM 281 ND1 HIS A 38 16.591 22.092 0.215 1.00 0.00 N ATOM 282 CD2 HIS A 38 15.875 20.030 -0.328 1.00 0.00 C ATOM 283 CE1 HIS A 38 16.520 21.344 1.329 1.00 0.00 C ATOM 284 NE2 HIS A 38 16.096 20.103 1.033 1.00 0.00 N ATOM 0 H HIS A 38 15.721 19.615 -3.623 1.00 0.00 H new ATOM 0 HA HIS A 38 13.973 21.274 -2.184 1.00 0.00 H new ATOM 0 HB2 HIS A 38 16.890 21.182 -2.838 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.274 22.749 -2.350 1.00 0.00 H new ATOM 0 HD2 HIS A 38 15.528 19.171 -0.883 1.00 0.00 H new ATOM 0 HE1 HIS A 38 16.768 21.691 2.321 1.00 0.00 H new ATOM 0 HE2 HIS A 38 15.961 19.344 1.701 1.00 0.00 H new ATOM 292 N ALA A 39 14.723 22.450 -5.182 1.00 0.00 N ATOM 293 CA ALA A 39 14.241 23.411 -6.188 1.00 0.00 C ATOM 294 C ALA A 39 12.702 23.402 -6.354 1.00 0.00 C ATOM 295 O ALA A 39 12.121 24.404 -6.777 1.00 0.00 O ATOM 296 CB ALA A 39 14.922 23.150 -7.540 1.00 0.00 C ATOM 0 H ALA A 39 15.365 21.749 -5.553 1.00 0.00 H new ATOM 0 HA ALA A 39 14.509 24.403 -5.824 1.00 0.00 H new ATOM 0 HB1 ALA A 39 14.557 23.867 -8.276 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.001 23.259 -7.431 1.00 0.00 H new ATOM 0 HB3 ALA A 39 14.692 22.138 -7.874 1.00 0.00 H new ATOM 302 N ALA A 40 12.044 22.296 -5.979 1.00 0.00 N ATOM 303 CA ALA A 40 10.590 22.139 -5.917 1.00 0.00 C ATOM 304 C ALA A 40 10.036 22.122 -4.471 1.00 0.00 C ATOM 305 O ALA A 40 8.969 21.557 -4.216 1.00 0.00 O ATOM 306 CB ALA A 40 10.203 20.908 -6.740 1.00 0.00 C ATOM 0 H ALA A 40 12.537 21.449 -5.698 1.00 0.00 H new ATOM 0 HA ALA A 40 10.115 23.017 -6.356 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.122 20.773 -6.707 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.520 21.047 -7.774 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.692 20.026 -6.327 1.00 0.00 H new ATOM 312 N GLY A 41 10.756 22.722 -3.514 1.00 0.00 N ATOM 313 CA GLY A 41 10.303 22.933 -2.132 1.00 0.00 C ATOM 314 C GLY A 41 10.280 21.684 -1.237 1.00 0.00 C ATOM 315 O GLY A 41 9.654 21.712 -0.174 1.00 0.00 O ATOM 0 H GLY A 41 11.694 23.084 -3.684 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.949 23.678 -1.668 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.299 23.356 -2.159 1.00 0.00 H new ATOM 319 N ALA A 42 10.921 20.588 -1.656 1.00 0.00 N ATOM 320 CA ALA A 42 10.922 19.312 -0.951 1.00 0.00 C ATOM 321 C ALA A 42 11.966 19.239 0.187 1.00 0.00 C ATOM 322 O ALA A 42 12.633 20.215 0.533 1.00 0.00 O ATOM 323 CB ALA A 42 11.197 18.225 -1.997 1.00 0.00 C ATOM 0 H ALA A 42 11.466 20.568 -2.518 1.00 0.00 H new ATOM 0 HA ALA A 42 9.956 19.177 -0.465 1.00 0.00 H new ATOM 0 HB1 ALA A 42 11.207 17.248 -1.513 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.416 18.245 -2.757 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.164 18.407 -2.466 1.00 0.00 H new ATOM 329 N GLN A 43 12.149 18.018 0.702 1.00 0.00 N ATOM 330 CA GLN A 43 13.216 17.605 1.632 1.00 0.00 C ATOM 331 C GLN A 43 14.024 16.420 1.054 1.00 0.00 C ATOM 332 O GLN A 43 14.285 15.416 1.717 1.00 0.00 O ATOM 333 CB GLN A 43 12.637 17.343 3.036 1.00 0.00 C ATOM 334 CG GLN A 43 11.994 18.592 3.663 1.00 0.00 C ATOM 335 CD GLN A 43 11.514 18.325 5.089 1.00 0.00 C ATOM 336 OE1 GLN A 43 12.174 18.649 6.070 1.00 0.00 O ATOM 337 NE2 GLN A 43 10.359 17.716 5.270 1.00 0.00 N ATOM 0 H GLN A 43 11.524 17.246 0.471 1.00 0.00 H new ATOM 0 HA GLN A 43 13.932 18.419 1.748 1.00 0.00 H new ATOM 0 HB2 GLN A 43 11.892 16.550 2.974 1.00 0.00 H new ATOM 0 HB3 GLN A 43 13.432 16.983 3.690 1.00 0.00 H new ATOM 0 HG2 GLN A 43 12.716 19.409 3.669 1.00 0.00 H new ATOM 0 HG3 GLN A 43 11.152 18.915 3.050 1.00 0.00 H new ATOM 0 HE21 GLN A 43 9.797 17.439 4.465 1.00 0.00 H new ATOM 0 HE22 GLN A 43 10.028 17.522 6.215 1.00 0.00 H new ATOM 346 N GLY A 44 14.383 16.521 -0.232 1.00 0.00 N ATOM 347 CA GLY A 44 15.096 15.493 -0.989 1.00 0.00 C ATOM 348 C GLY A 44 14.176 14.374 -1.471 1.00 0.00 C ATOM 349 O GLY A 44 13.244 14.615 -2.223 1.00 0.00 O ATOM 0 H GLY A 44 14.177 17.350 -0.790 1.00 0.00 H new ATOM 0 HA2 GLY A 44 15.584 15.953 -1.849 1.00 0.00 H new ATOM 0 HA3 GLY A 44 15.883 15.068 -0.366 1.00 0.00 H new ATOM 353 N GLU A 45 14.460 13.148 -1.039 1.00 0.00 N ATOM 354 CA GLU A 45 13.695 11.918 -1.320 1.00 0.00 C ATOM 355 C GLU A 45 13.520 11.087 -0.041 1.00 0.00 C ATOM 356 O GLU A 45 13.275 9.893 -0.119 1.00 0.00 O ATOM 357 CB GLU A 45 14.366 11.054 -2.411 1.00 0.00 C ATOM 358 CG GLU A 45 14.428 11.693 -3.795 1.00 0.00 C ATOM 359 CD GLU A 45 15.094 10.723 -4.791 1.00 0.00 C ATOM 360 OE1 GLU A 45 16.342 10.745 -4.918 1.00 0.00 O ATOM 361 OE2 GLU A 45 14.373 9.926 -5.437 1.00 0.00 O ATOM 0 H GLU A 45 15.273 12.967 -0.450 1.00 0.00 H new ATOM 0 HA GLU A 45 12.718 12.229 -1.690 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.381 10.817 -2.092 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.827 10.110 -2.488 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.423 11.944 -4.135 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.991 12.625 -3.750 1.00 0.00 H new ATOM 368 N MET A 46 13.730 11.688 1.136 1.00 0.00 N ATOM 369 CA MET A 46 13.819 11.021 2.450 1.00 0.00 C ATOM 370 C MET A 46 12.442 10.605 3.006 1.00 0.00 C ATOM 371 O MET A 46 12.048 10.950 4.122 1.00 0.00 O ATOM 372 CB MET A 46 14.690 11.891 3.350 1.00 0.00 C ATOM 373 CG MET A 46 15.084 11.256 4.692 1.00 0.00 C ATOM 374 SD MET A 46 16.268 12.231 5.665 1.00 0.00 S ATOM 375 CE MET A 46 15.250 13.670 6.100 1.00 0.00 C ATOM 0 H MET A 46 13.849 12.699 1.207 1.00 0.00 H new ATOM 0 HA MET A 46 14.311 10.052 2.372 1.00 0.00 H new ATOM 0 HB2 MET A 46 15.600 12.150 2.808 1.00 0.00 H new ATOM 0 HB3 MET A 46 14.161 12.823 3.549 1.00 0.00 H new ATOM 0 HG2 MET A 46 14.183 11.103 5.286 1.00 0.00 H new ATOM 0 HG3 MET A 46 15.512 10.272 4.503 1.00 0.00 H new ATOM 0 HE1 MET A 46 15.795 14.303 6.801 1.00 0.00 H new ATOM 0 HE2 MET A 46 15.021 14.240 5.199 1.00 0.00 H new ATOM 0 HE3 MET A 46 14.322 13.333 6.561 1.00 0.00 H new ATOM 385 N PHE A 47 11.681 9.916 2.155 1.00 0.00 N ATOM 386 CA PHE A 47 10.258 9.580 2.300 1.00 0.00 C ATOM 387 C PHE A 47 9.759 8.649 1.170 1.00 0.00 C ATOM 388 O PHE A 47 10.475 8.365 0.211 1.00 0.00 O ATOM 389 CB PHE A 47 9.452 10.889 2.348 1.00 0.00 C ATOM 390 CG PHE A 47 9.927 11.978 1.397 1.00 0.00 C ATOM 391 CD1 PHE A 47 9.809 11.813 0.005 1.00 0.00 C ATOM 392 CD2 PHE A 47 10.552 13.132 1.909 1.00 0.00 C ATOM 393 CE1 PHE A 47 10.253 12.825 -0.863 1.00 0.00 C ATOM 394 CE2 PHE A 47 11.027 14.124 1.034 1.00 0.00 C ATOM 395 CZ PHE A 47 10.853 13.981 -0.347 1.00 0.00 C ATOM 0 H PHE A 47 12.067 9.551 1.284 1.00 0.00 H new ATOM 0 HA PHE A 47 10.116 9.025 3.227 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.409 10.663 2.124 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.483 11.279 3.365 1.00 0.00 H new ATOM 0 HD1 PHE A 47 9.377 10.908 -0.397 1.00 0.00 H new ATOM 0 HD2 PHE A 47 10.666 13.255 2.976 1.00 0.00 H new ATOM 0 HE1 PHE A 47 10.131 12.711 -1.930 1.00 0.00 H new ATOM 0 HE2 PHE A 47 11.526 14.997 1.428 1.00 0.00 H new ATOM 0 HZ PHE A 47 11.182 14.763 -1.016 1.00 0.00 H new ATOM 405 N THR A 48 8.533 8.133 1.298 1.00 0.00 N ATOM 406 CA THR A 48 7.925 7.084 0.445 1.00 0.00 C ATOM 407 C THR A 48 7.643 7.535 -1.003 1.00 0.00 C ATOM 408 O THR A 48 7.635 8.727 -1.322 1.00 0.00 O ATOM 409 CB THR A 48 6.610 6.568 1.102 1.00 0.00 C ATOM 410 OG1 THR A 48 6.626 6.776 2.501 1.00 0.00 O ATOM 411 CG2 THR A 48 6.391 5.065 0.906 1.00 0.00 C ATOM 0 H THR A 48 7.899 8.445 2.033 1.00 0.00 H new ATOM 0 HA THR A 48 8.662 6.284 0.375 1.00 0.00 H new ATOM 0 HB THR A 48 5.815 7.130 0.612 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.790 6.445 2.890 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.459 4.767 1.386 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.338 4.841 -0.159 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.220 4.515 1.351 1.00 0.00 H new ATOM 419 N VAL A 49 7.314 6.567 -1.875 1.00 0.00 N ATOM 420 CA VAL A 49 6.963 6.749 -3.306 1.00 0.00 C ATOM 421 C VAL A 49 5.936 7.870 -3.520 1.00 0.00 C ATOM 422 O VAL A 49 6.103 8.731 -4.383 1.00 0.00 O ATOM 423 CB VAL A 49 6.406 5.429 -3.896 1.00 0.00 C ATOM 424 CG1 VAL A 49 6.021 5.571 -5.373 1.00 0.00 C ATOM 425 CG2 VAL A 49 7.418 4.284 -3.747 1.00 0.00 C ATOM 0 H VAL A 49 7.282 5.587 -1.594 1.00 0.00 H new ATOM 0 HA VAL A 49 7.881 7.032 -3.820 1.00 0.00 H new ATOM 0 HB VAL A 49 5.506 5.196 -3.327 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.636 4.620 -5.742 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.254 6.338 -5.477 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.899 5.856 -5.952 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.999 3.371 -4.170 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.337 4.540 -4.274 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.637 4.127 -2.691 1.00 0.00 H new ATOM 435 N LYS A 50 4.900 7.900 -2.676 1.00 0.00 N ATOM 436 CA LYS A 50 3.800 8.871 -2.786 1.00 0.00 C ATOM 437 C LYS A 50 4.236 10.305 -2.492 1.00 0.00 C ATOM 438 O LYS A 50 3.706 11.244 -3.082 1.00 0.00 O ATOM 439 CB LYS A 50 2.659 8.465 -1.837 1.00 0.00 C ATOM 440 CG LYS A 50 2.032 7.099 -2.174 1.00 0.00 C ATOM 441 CD LYS A 50 1.103 6.598 -1.056 1.00 0.00 C ATOM 442 CE LYS A 50 1.886 6.153 0.194 1.00 0.00 C ATOM 443 NZ LYS A 50 0.969 5.680 1.269 1.00 0.00 N ATOM 0 H LYS A 50 4.798 7.252 -1.895 1.00 0.00 H new ATOM 0 HA LYS A 50 3.459 8.853 -3.821 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.039 8.439 -0.816 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.882 9.229 -1.868 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.469 7.178 -3.104 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.824 6.369 -2.342 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.405 7.390 -0.783 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.508 5.763 -1.427 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.578 5.355 -0.073 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.486 6.984 0.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.526 5.387 2.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.325 6.450 1.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.415 4.871 0.922 1.00 0.00 H new ATOM 457 N GLU A 51 5.233 10.469 -1.625 1.00 0.00 N ATOM 458 CA GLU A 51 5.809 11.775 -1.311 1.00 0.00 C ATOM 459 C GLU A 51 6.810 12.207 -2.390 1.00 0.00 C ATOM 460 O GLU A 51 6.699 13.332 -2.873 1.00 0.00 O ATOM 461 CB GLU A 51 6.425 11.756 0.095 1.00 0.00 C ATOM 462 CG GLU A 51 5.425 11.448 1.220 1.00 0.00 C ATOM 463 CD GLU A 51 4.278 12.475 1.290 1.00 0.00 C ATOM 464 OE1 GLU A 51 4.466 13.566 1.882 1.00 0.00 O ATOM 465 OE2 GLU A 51 3.169 12.192 0.773 1.00 0.00 O ATOM 0 H GLU A 51 5.666 9.697 -1.118 1.00 0.00 H new ATOM 0 HA GLU A 51 5.017 12.524 -1.308 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.222 11.013 0.120 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.886 12.724 0.290 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.008 10.453 1.068 1.00 0.00 H new ATOM 0 HG3 GLU A 51 5.951 11.431 2.174 1.00 0.00 H new ATOM 472 N VAL A 52 7.710 11.327 -2.873 1.00 0.00 N ATOM 473 CA VAL A 52 8.611 11.706 -3.993 1.00 0.00 C ATOM 474 C VAL A 52 7.849 12.148 -5.233 1.00 0.00 C ATOM 475 O VAL A 52 8.151 13.188 -5.813 1.00 0.00 O ATOM 476 CB VAL A 52 9.626 10.630 -4.400 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.703 10.393 -3.339 1.00 0.00 C ATOM 478 CG2 VAL A 52 9.070 9.259 -4.740 1.00 0.00 C ATOM 0 H VAL A 52 7.835 10.377 -2.523 1.00 0.00 H new ATOM 0 HA VAL A 52 9.172 12.545 -3.581 1.00 0.00 H new ATOM 0 HB VAL A 52 10.028 11.072 -5.311 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.391 9.621 -3.685 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.253 11.318 -3.166 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.233 10.070 -2.410 1.00 0.00 H new ATOM 0 HG21 VAL A 52 9.888 8.592 -5.011 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.543 8.855 -3.875 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.379 9.344 -5.579 1.00 0.00 H new ATOM 488 N MET A 53 6.830 11.386 -5.611 1.00 0.00 N ATOM 489 CA MET A 53 6.039 11.672 -6.816 1.00 0.00 C ATOM 490 C MET A 53 5.163 12.933 -6.674 1.00 0.00 C ATOM 491 O MET A 53 4.863 13.580 -7.675 1.00 0.00 O ATOM 492 CB MET A 53 5.261 10.426 -7.265 1.00 0.00 C ATOM 493 CG MET A 53 3.980 10.169 -6.466 1.00 0.00 C ATOM 494 SD MET A 53 3.183 8.571 -6.794 1.00 0.00 S ATOM 495 CE MET A 53 2.872 8.710 -8.577 1.00 0.00 C ATOM 0 H MET A 53 6.525 10.557 -5.100 1.00 0.00 H new ATOM 0 HA MET A 53 6.734 11.916 -7.619 1.00 0.00 H new ATOM 0 HB2 MET A 53 5.004 10.531 -8.319 1.00 0.00 H new ATOM 0 HB3 MET A 53 5.911 9.555 -7.180 1.00 0.00 H new ATOM 0 HG2 MET A 53 4.213 10.231 -5.403 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.268 10.965 -6.683 1.00 0.00 H new ATOM 0 HE1 MET A 53 2.260 7.870 -8.906 1.00 0.00 H new ATOM 0 HE2 MET A 53 2.348 9.643 -8.783 1.00 0.00 H new ATOM 0 HE3 MET A 53 3.821 8.700 -9.114 1.00 0.00 H new ATOM 505 N HIS A 54 4.816 13.328 -5.442 1.00 0.00 N ATOM 506 CA HIS A 54 4.170 14.609 -5.118 1.00 0.00 C ATOM 507 C HIS A 54 5.114 15.793 -5.412 1.00 0.00 C ATOM 508 O HIS A 54 4.820 16.616 -6.284 1.00 0.00 O ATOM 509 CB HIS A 54 3.688 14.563 -3.652 1.00 0.00 C ATOM 510 CG HIS A 54 3.696 15.897 -2.950 1.00 0.00 C ATOM 511 ND1 HIS A 54 2.963 17.023 -3.331 1.00 0.00 N ATOM 512 CD2 HIS A 54 4.549 16.238 -1.941 1.00 0.00 C ATOM 513 CE1 HIS A 54 3.400 18.019 -2.541 1.00 0.00 C ATOM 514 NE2 HIS A 54 4.341 17.574 -1.691 1.00 0.00 N ATOM 0 H HIS A 54 4.981 12.749 -4.619 1.00 0.00 H new ATOM 0 HA HIS A 54 3.298 14.766 -5.753 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.676 14.160 -3.628 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.320 13.870 -3.096 1.00 0.00 H new ATOM 0 HD2 HIS A 54 5.249 15.587 -1.438 1.00 0.00 H new ATOM 0 HE1 HIS A 54 3.044 19.038 -2.584 1.00 0.00 H new ATOM 0 HE2 HIS A 54 4.819 18.131 -0.983 1.00 0.00 H new ATOM 522 N TYR A 55 6.284 15.837 -4.763 1.00 0.00 N ATOM 523 CA TYR A 55 7.328 16.837 -5.010 1.00 0.00 C ATOM 524 C TYR A 55 7.788 16.887 -6.480 1.00 0.00 C ATOM 525 O TYR A 55 8.024 17.969 -7.016 1.00 0.00 O ATOM 526 CB TYR A 55 8.525 16.557 -4.097 1.00 0.00 C ATOM 527 CG TYR A 55 8.232 16.658 -2.611 1.00 0.00 C ATOM 528 CD1 TYR A 55 7.850 17.887 -2.042 1.00 0.00 C ATOM 529 CD2 TYR A 55 8.375 15.528 -1.791 1.00 0.00 C ATOM 530 CE1 TYR A 55 7.580 17.983 -0.662 1.00 0.00 C ATOM 531 CE2 TYR A 55 8.102 15.614 -0.411 1.00 0.00 C ATOM 532 CZ TYR A 55 7.706 16.841 0.159 1.00 0.00 C ATOM 533 OH TYR A 55 7.469 16.923 1.499 1.00 0.00 O ATOM 0 H TYR A 55 6.536 15.165 -4.038 1.00 0.00 H new ATOM 0 HA TYR A 55 6.896 17.813 -4.788 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.901 15.557 -4.311 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.323 17.257 -4.344 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.763 18.763 -2.667 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.695 14.590 -2.219 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.278 18.927 -0.234 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.197 14.737 0.212 1.00 0.00 H new ATOM 0 HH TYR A 55 7.601 16.043 1.909 1.00 0.00 H new ATOM 543 N LEU A 56 7.870 15.739 -7.159 1.00 0.00 N ATOM 544 CA LEU A 56 8.241 15.651 -8.576 1.00 0.00 C ATOM 545 C LEU A 56 7.107 16.159 -9.494 1.00 0.00 C ATOM 546 O LEU A 56 7.376 16.900 -10.436 1.00 0.00 O ATOM 547 CB LEU A 56 8.708 14.206 -8.844 1.00 0.00 C ATOM 548 CG LEU A 56 9.642 14.000 -10.050 1.00 0.00 C ATOM 549 CD1 LEU A 56 10.342 12.646 -9.905 1.00 0.00 C ATOM 550 CD2 LEU A 56 8.906 14.007 -11.386 1.00 0.00 C ATOM 0 H LEU A 56 7.678 14.832 -6.735 1.00 0.00 H new ATOM 0 HA LEU A 56 9.071 16.316 -8.816 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.217 13.841 -7.952 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.825 13.583 -8.985 1.00 0.00 H new ATOM 0 HG LEU A 56 10.347 14.832 -10.053 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.007 12.488 -10.754 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.922 12.633 -8.982 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.596 11.852 -9.876 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.620 13.857 -12.196 1.00 0.00 H new ATOM 0 HD22 LEU A 56 8.169 13.204 -11.399 1.00 0.00 H new ATOM 0 HD23 LEU A 56 8.402 14.965 -11.519 1.00 0.00 H new ATOM 562 N GLY A 57 5.836 15.888 -9.175 1.00 0.00 N ATOM 563 CA GLY A 57 4.678 16.479 -9.863 1.00 0.00 C ATOM 564 C GLY A 57 4.683 18.015 -9.830 1.00 0.00 C ATOM 565 O GLY A 57 4.574 18.670 -10.872 1.00 0.00 O ATOM 0 H GLY A 57 5.578 15.246 -8.425 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.667 16.143 -10.900 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.761 16.114 -9.400 1.00 0.00 H new ATOM 569 N GLN A 58 4.921 18.609 -8.654 1.00 0.00 N ATOM 570 CA GLN A 58 5.066 20.066 -8.540 1.00 0.00 C ATOM 571 C GLN A 58 6.366 20.591 -9.182 1.00 0.00 C ATOM 572 O GLN A 58 6.334 21.679 -9.751 1.00 0.00 O ATOM 573 CB GLN A 58 4.777 20.576 -7.117 1.00 0.00 C ATOM 574 CG GLN A 58 5.813 20.185 -6.059 1.00 0.00 C ATOM 575 CD GLN A 58 5.397 20.535 -4.626 1.00 0.00 C ATOM 576 OE1 GLN A 58 4.234 20.732 -4.296 1.00 0.00 O ATOM 577 NE2 GLN A 58 6.331 20.603 -3.702 1.00 0.00 N ATOM 0 H GLN A 58 5.017 18.106 -7.772 1.00 0.00 H new ATOM 0 HA GLN A 58 4.281 20.517 -9.147 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.704 21.663 -7.146 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.803 20.200 -6.805 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.996 19.112 -6.122 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.756 20.683 -6.286 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.307 20.443 -3.951 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.079 20.816 -2.737 1.00 0.00 H new ATOM 586 N TYR A 59 7.475 19.831 -9.194 1.00 0.00 N ATOM 587 CA TYR A 59 8.670 20.181 -9.987 1.00 0.00 C ATOM 588 C TYR A 59 8.299 20.361 -11.465 1.00 0.00 C ATOM 589 O TYR A 59 8.584 21.410 -12.040 1.00 0.00 O ATOM 590 CB TYR A 59 9.783 19.121 -9.832 1.00 0.00 C ATOM 591 CG TYR A 59 11.127 19.473 -10.463 1.00 0.00 C ATOM 592 CD1 TYR A 59 11.284 19.488 -11.867 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.248 19.721 -9.645 1.00 0.00 C ATOM 594 CE1 TYR A 59 12.543 19.746 -12.445 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.504 19.989 -10.222 1.00 0.00 C ATOM 596 CZ TYR A 59 13.657 19.986 -11.620 1.00 0.00 C ATOM 597 OH TYR A 59 14.879 20.211 -12.174 1.00 0.00 O ATOM 0 H TYR A 59 7.570 18.966 -8.661 1.00 0.00 H new ATOM 0 HA TYR A 59 9.058 21.126 -9.605 1.00 0.00 H new ATOM 0 HB2 TYR A 59 9.939 18.938 -8.769 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.432 18.186 -10.268 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.432 19.300 -12.503 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.143 19.705 -8.570 1.00 0.00 H new ATOM 0 HE1 TYR A 59 12.653 19.759 -13.519 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.353 20.198 -9.588 1.00 0.00 H new ATOM 0 HH TYR A 59 15.538 20.360 -11.464 1.00 0.00 H new ATOM 607 N ILE A 60 7.607 19.383 -12.068 1.00 0.00 N ATOM 608 CA ILE A 60 7.136 19.446 -13.465 1.00 0.00 C ATOM 609 C ILE A 60 6.231 20.664 -13.670 1.00 0.00 C ATOM 610 O ILE A 60 6.404 21.395 -14.642 1.00 0.00 O ATOM 611 CB ILE A 60 6.377 18.154 -13.853 1.00 0.00 C ATOM 612 CG1 ILE A 60 7.270 16.900 -13.761 1.00 0.00 C ATOM 613 CG2 ILE A 60 5.792 18.263 -15.276 1.00 0.00 C ATOM 614 CD1 ILE A 60 6.424 15.630 -13.598 1.00 0.00 C ATOM 0 H ILE A 60 7.354 18.515 -11.596 1.00 0.00 H new ATOM 0 HA ILE A 60 8.010 19.540 -14.110 1.00 0.00 H new ATOM 0 HB ILE A 60 5.566 18.046 -13.133 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.883 16.820 -14.659 1.00 0.00 H new ATOM 0 HG13 ILE A 60 7.952 16.997 -12.917 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.264 17.342 -15.524 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.098 19.103 -15.321 1.00 0.00 H new ATOM 0 HG23 ILE A 60 6.600 18.421 -15.990 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.080 14.762 -13.536 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.831 15.703 -12.687 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.760 15.523 -14.456 1.00 0.00 H new ATOM 626 N MET A 61 5.294 20.920 -12.752 1.00 0.00 N ATOM 627 CA MET A 61 4.373 22.057 -12.872 1.00 0.00 C ATOM 628 C MET A 61 5.063 23.431 -12.722 1.00 0.00 C ATOM 629 O MET A 61 4.651 24.391 -13.374 1.00 0.00 O ATOM 630 CB MET A 61 3.209 21.850 -11.894 1.00 0.00 C ATOM 631 CG MET A 61 2.118 22.913 -12.075 1.00 0.00 C ATOM 632 SD MET A 61 0.484 22.445 -11.443 1.00 0.00 S ATOM 633 CE MET A 61 -0.090 21.414 -12.824 1.00 0.00 C ATOM 0 H MET A 61 5.152 20.354 -11.915 1.00 0.00 H new ATOM 0 HA MET A 61 3.980 22.082 -13.888 1.00 0.00 H new ATOM 0 HB2 MET A 61 2.780 20.859 -12.044 1.00 0.00 H new ATOM 0 HB3 MET A 61 3.583 21.884 -10.871 1.00 0.00 H new ATOM 0 HG2 MET A 61 2.436 23.828 -11.576 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.028 23.144 -13.137 1.00 0.00 H new ATOM 0 HE1 MET A 61 -1.089 21.037 -12.606 1.00 0.00 H new ATOM 0 HE2 MET A 61 -0.118 22.010 -13.736 1.00 0.00 H new ATOM 0 HE3 MET A 61 0.593 20.575 -12.960 1.00 0.00 H new ATOM 643 N VAL A 62 6.151 23.530 -11.945 1.00 0.00 N ATOM 644 CA VAL A 62 6.991 24.743 -11.835 1.00 0.00 C ATOM 645 C VAL A 62 7.866 24.931 -13.080 1.00 0.00 C ATOM 646 O VAL A 62 7.818 25.991 -13.711 1.00 0.00 O ATOM 647 CB VAL A 62 7.820 24.725 -10.539 1.00 0.00 C ATOM 648 CG1 VAL A 62 8.898 25.816 -10.478 1.00 0.00 C ATOM 649 CG2 VAL A 62 6.913 24.917 -9.318 1.00 0.00 C ATOM 0 H VAL A 62 6.482 22.760 -11.364 1.00 0.00 H new ATOM 0 HA VAL A 62 6.330 25.608 -11.781 1.00 0.00 H new ATOM 0 HB VAL A 62 8.311 23.752 -10.532 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.440 25.739 -9.536 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.593 25.688 -11.308 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.427 26.797 -10.547 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.516 24.902 -8.410 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.397 25.874 -9.395 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.179 24.112 -9.280 1.00 0.00 H new ATOM 659 N LYS A 63 8.617 23.892 -13.482 1.00 0.00 N ATOM 660 CA LYS A 63 9.456 23.902 -14.702 1.00 0.00 C ATOM 661 C LYS A 63 8.638 23.961 -16.001 1.00 0.00 C ATOM 662 O LYS A 63 9.194 24.307 -17.043 1.00 0.00 O ATOM 663 CB LYS A 63 10.407 22.679 -14.713 1.00 0.00 C ATOM 664 CG LYS A 63 11.882 23.044 -14.485 1.00 0.00 C ATOM 665 CD LYS A 63 12.181 23.544 -13.062 1.00 0.00 C ATOM 666 CE LYS A 63 13.618 24.079 -12.930 1.00 0.00 C ATOM 667 NZ LYS A 63 14.656 23.019 -13.065 1.00 0.00 N ATOM 0 H LYS A 63 8.662 23.012 -12.968 1.00 0.00 H new ATOM 0 HA LYS A 63 10.044 24.819 -14.667 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.092 21.977 -13.941 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.312 22.164 -15.669 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.500 22.170 -14.691 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.171 23.814 -15.200 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.475 24.332 -12.798 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.030 22.730 -12.352 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.786 24.841 -13.691 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.730 24.566 -11.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.575 23.391 -12.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.396 22.201 -12.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 14.723 22.723 -14.060 1.00 0.00 H new ATOM 681 N GLN A 64 7.332 23.669 -15.928 1.00 0.00 N ATOM 682 CA GLN A 64 6.325 23.730 -17.000 1.00 0.00 C ATOM 683 C GLN A 64 6.815 23.143 -18.336 1.00 0.00 C ATOM 684 O GLN A 64 6.613 23.705 -19.414 1.00 0.00 O ATOM 685 CB GLN A 64 5.648 25.113 -17.042 1.00 0.00 C ATOM 686 CG GLN A 64 6.567 26.307 -17.350 1.00 0.00 C ATOM 687 CD GLN A 64 5.953 27.622 -16.879 1.00 0.00 C ATOM 688 OE1 GLN A 64 5.316 28.355 -17.627 1.00 0.00 O ATOM 689 NE2 GLN A 64 6.115 27.968 -15.616 1.00 0.00 N ATOM 0 H GLN A 64 6.918 23.359 -15.049 1.00 0.00 H new ATOM 0 HA GLN A 64 5.513 23.044 -16.759 1.00 0.00 H new ATOM 0 HB2 GLN A 64 4.858 25.086 -17.792 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.168 25.289 -16.080 1.00 0.00 H new ATOM 0 HG2 GLN A 64 7.531 26.160 -16.864 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.755 26.356 -18.423 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.643 27.365 -14.986 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.712 28.839 -15.270 1.00 0.00 H new ATOM 698 N LEU A 65 7.488 21.988 -18.230 1.00 0.00 N ATOM 699 CA LEU A 65 8.245 21.333 -19.304 1.00 0.00 C ATOM 700 C LEU A 65 7.462 20.181 -19.976 1.00 0.00 C ATOM 701 O LEU A 65 8.030 19.261 -20.560 1.00 0.00 O ATOM 702 CB LEU A 65 9.632 20.970 -18.730 1.00 0.00 C ATOM 703 CG LEU A 65 10.762 20.668 -19.736 1.00 0.00 C ATOM 704 CD1 LEU A 65 10.911 21.728 -20.830 1.00 0.00 C ATOM 705 CD2 LEU A 65 12.089 20.608 -18.977 1.00 0.00 C ATOM 0 H LEU A 65 7.520 21.463 -17.356 1.00 0.00 H new ATOM 0 HA LEU A 65 8.401 22.006 -20.147 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.959 21.793 -18.094 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.512 20.098 -18.087 1.00 0.00 H new ATOM 0 HG LEU A 65 10.504 19.725 -20.217 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.724 21.448 -21.499 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.983 21.799 -21.397 1.00 0.00 H new ATOM 0 HD13 LEU A 65 11.132 22.693 -20.374 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.898 20.395 -19.675 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.273 21.565 -18.489 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.043 19.821 -18.225 1.00 0.00 H new ATOM 717 N TYR A 66 6.133 20.227 -19.876 1.00 0.00 N ATOM 718 CA TYR A 66 5.191 19.375 -20.605 1.00 0.00 C ATOM 719 C TYR A 66 4.841 19.975 -21.980 1.00 0.00 C ATOM 720 O TYR A 66 5.079 21.161 -22.233 1.00 0.00 O ATOM 721 CB TYR A 66 3.947 19.148 -19.733 1.00 0.00 C ATOM 722 CG TYR A 66 3.348 20.417 -19.150 1.00 0.00 C ATOM 723 CD1 TYR A 66 2.544 21.254 -19.946 1.00 0.00 C ATOM 724 CD2 TYR A 66 3.636 20.778 -17.819 1.00 0.00 C ATOM 725 CE1 TYR A 66 2.022 22.448 -19.410 1.00 0.00 C ATOM 726 CE2 TYR A 66 3.102 21.962 -17.273 1.00 0.00 C ATOM 727 CZ TYR A 66 2.293 22.803 -18.071 1.00 0.00 C ATOM 728 OH TYR A 66 1.774 23.956 -17.562 1.00 0.00 O ATOM 0 H TYR A 66 5.663 20.888 -19.258 1.00 0.00 H new ATOM 0 HA TYR A 66 5.653 18.409 -20.808 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.187 18.643 -20.330 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.209 18.476 -18.916 1.00 0.00 H new ATOM 0 HD1 TYR A 66 2.327 20.981 -20.968 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.269 20.145 -17.215 1.00 0.00 H new ATOM 0 HE1 TYR A 66 1.413 23.093 -20.025 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.310 22.227 -16.247 1.00 0.00 H new ATOM 0 HH TYR A 66 2.052 24.056 -16.628 1.00 0.00 H new ATOM 738 N ASP A 67 4.271 19.176 -22.886 1.00 0.00 N ATOM 739 CA ASP A 67 3.889 19.662 -24.220 1.00 0.00 C ATOM 740 C ASP A 67 2.614 20.531 -24.173 1.00 0.00 C ATOM 741 O ASP A 67 1.606 20.164 -23.569 1.00 0.00 O ATOM 742 CB ASP A 67 3.751 18.497 -25.214 1.00 0.00 C ATOM 743 CG ASP A 67 3.852 18.953 -26.683 1.00 0.00 C ATOM 744 OD1 ASP A 67 3.221 19.976 -27.046 1.00 0.00 O ATOM 745 OD2 ASP A 67 4.571 18.299 -27.474 1.00 0.00 O ATOM 0 H ASP A 67 4.063 18.191 -22.723 1.00 0.00 H new ATOM 0 HA ASP A 67 4.693 20.306 -24.577 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.528 17.759 -25.013 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.793 18.002 -25.057 1.00 0.00 H new ATOM 750 N GLN A 68 2.643 21.670 -24.868 1.00 0.00 N ATOM 751 CA GLN A 68 1.493 22.555 -25.112 1.00 0.00 C ATOM 752 C GLN A 68 0.278 21.830 -25.734 1.00 0.00 C ATOM 753 O GLN A 68 -0.869 22.151 -25.413 1.00 0.00 O ATOM 754 CB GLN A 68 1.904 23.711 -26.052 1.00 0.00 C ATOM 755 CG GLN A 68 3.305 24.306 -25.807 1.00 0.00 C ATOM 756 CD GLN A 68 4.395 23.826 -26.779 1.00 0.00 C ATOM 757 OE1 GLN A 68 4.473 22.566 -27.181 1.00 0.00 O flip ATOM 758 NE2 GLN A 68 5.246 24.600 -27.196 1.00 0.00 N flip ATOM 0 H GLN A 68 3.501 22.019 -25.295 1.00 0.00 H new ATOM 0 HA GLN A 68 1.190 22.929 -24.134 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.856 23.353 -27.080 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.169 24.510 -25.958 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.238 25.392 -25.868 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.614 24.063 -24.790 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.226 25.580 -26.914 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.975 24.265 -27.826 1.00 0.00 H new ATOM 767 N GLN A 69 0.527 20.849 -26.613 1.00 0.00 N ATOM 768 CA GLN A 69 -0.499 20.044 -27.293 1.00 0.00 C ATOM 769 C GLN A 69 -1.011 18.886 -26.418 1.00 0.00 C ATOM 770 O GLN A 69 -2.143 18.431 -26.594 1.00 0.00 O ATOM 771 CB GLN A 69 0.075 19.482 -28.608 1.00 0.00 C ATOM 772 CG GLN A 69 0.104 20.470 -29.786 1.00 0.00 C ATOM 773 CD GLN A 69 0.967 21.718 -29.589 1.00 0.00 C ATOM 774 OE1 GLN A 69 0.510 22.847 -29.715 1.00 0.00 O ATOM 775 NE2 GLN A 69 2.247 21.585 -29.309 1.00 0.00 N ATOM 0 H GLN A 69 1.476 20.586 -26.879 1.00 0.00 H new ATOM 0 HA GLN A 69 -1.346 20.699 -27.497 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.091 19.133 -28.422 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.513 18.611 -28.899 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.460 19.941 -30.670 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.918 20.787 -29.994 1.00 0.00 H new ATOM 0 HE21 GLN A 69 2.651 20.655 -29.199 1.00 0.00 H new ATOM 0 HE22 GLN A 69 2.834 22.412 -29.202 1.00 0.00 H new ATOM 784 N GLU A 70 -0.187 18.402 -25.485 1.00 0.00 N ATOM 785 CA GLU A 70 -0.509 17.282 -24.593 1.00 0.00 C ATOM 786 C GLU A 70 0.240 17.391 -23.258 1.00 0.00 C ATOM 787 O GLU A 70 1.351 16.889 -23.081 1.00 0.00 O ATOM 788 CB GLU A 70 -0.285 15.912 -25.268 1.00 0.00 C ATOM 789 CG GLU A 70 0.934 15.806 -26.203 1.00 0.00 C ATOM 790 CD GLU A 70 1.011 14.420 -26.878 1.00 0.00 C ATOM 791 OE1 GLU A 70 0.096 14.068 -27.666 1.00 0.00 O ATOM 792 OE2 GLU A 70 2.007 13.684 -26.673 1.00 0.00 O ATOM 0 H GLU A 70 0.744 18.786 -25.324 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.575 17.349 -24.374 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.185 15.158 -24.487 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.178 15.662 -25.840 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.876 16.581 -26.967 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.846 15.986 -25.635 1.00 0.00 H new ATOM 799 N GLN A 71 -0.437 17.994 -22.278 1.00 0.00 N ATOM 800 CA GLN A 71 0.020 18.139 -20.891 1.00 0.00 C ATOM 801 C GLN A 71 0.296 16.782 -20.213 1.00 0.00 C ATOM 802 O GLN A 71 1.003 16.722 -19.205 1.00 0.00 O ATOM 803 CB GLN A 71 -1.049 18.909 -20.094 1.00 0.00 C ATOM 804 CG GLN A 71 -1.174 20.406 -20.451 1.00 0.00 C ATOM 805 CD GLN A 71 -1.730 20.720 -21.847 1.00 0.00 C ATOM 806 OE1 GLN A 71 -2.475 19.957 -22.453 1.00 0.00 O ATOM 807 NE2 GLN A 71 -1.395 21.860 -22.414 1.00 0.00 N ATOM 0 H GLN A 71 -1.355 18.411 -22.433 1.00 0.00 H new ATOM 0 HA GLN A 71 0.963 18.685 -20.905 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.015 18.431 -20.254 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.822 18.822 -19.031 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.815 20.884 -19.710 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.189 20.864 -20.362 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.777 22.509 -21.928 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -1.754 22.094 -23.340 1.00 0.00 H new ATOM 816 N HIS A 72 -0.233 15.685 -20.778 1.00 0.00 N ATOM 817 CA HIS A 72 0.036 14.318 -20.332 1.00 0.00 C ATOM 818 C HIS A 72 1.511 13.900 -20.529 1.00 0.00 C ATOM 819 O HIS A 72 2.013 13.057 -19.779 1.00 0.00 O ATOM 820 CB HIS A 72 -0.952 13.341 -21.016 1.00 0.00 C ATOM 821 CG HIS A 72 -0.319 12.406 -22.022 1.00 0.00 C ATOM 822 ND1 HIS A 72 0.008 12.739 -23.337 1.00 0.00 N ATOM 823 CD2 HIS A 72 0.159 11.156 -21.752 1.00 0.00 C ATOM 824 CE1 HIS A 72 0.686 11.688 -23.827 1.00 0.00 C ATOM 825 NE2 HIS A 72 0.784 10.719 -22.901 1.00 0.00 N ATOM 0 H HIS A 72 -0.871 15.729 -21.572 1.00 0.00 H new ATOM 0 HA HIS A 72 -0.127 14.277 -19.255 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -1.445 12.746 -20.247 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.728 13.921 -21.517 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.066 10.616 -20.822 1.00 0.00 H new ATOM 0 HE1 HIS A 72 1.095 11.630 -24.825 1.00 0.00 H new ATOM 0 HE2 HIS A 72 1.242 9.816 -23.026 1.00 0.00 H new ATOM 833 N MET A 73 2.197 14.483 -21.521 1.00 0.00 N ATOM 834 CA MET A 73 3.573 14.169 -21.917 1.00 0.00 C ATOM 835 C MET A 73 4.562 15.172 -21.308 1.00 0.00 C ATOM 836 O MET A 73 4.349 16.384 -21.388 1.00 0.00 O ATOM 837 CB MET A 73 3.666 14.159 -23.451 1.00 0.00 C ATOM 838 CG MET A 73 5.051 13.755 -23.966 1.00 0.00 C ATOM 839 SD MET A 73 5.593 12.100 -23.459 1.00 0.00 S ATOM 840 CE MET A 73 7.242 12.095 -24.208 1.00 0.00 C ATOM 0 H MET A 73 1.787 15.220 -22.095 1.00 0.00 H new ATOM 0 HA MET A 73 3.841 13.183 -21.538 1.00 0.00 H new ATOM 0 HB2 MET A 73 2.921 13.470 -23.850 1.00 0.00 H new ATOM 0 HB3 MET A 73 3.419 15.150 -23.831 1.00 0.00 H new ATOM 0 HG2 MET A 73 5.048 13.804 -25.055 1.00 0.00 H new ATOM 0 HG3 MET A 73 5.781 14.485 -23.616 1.00 0.00 H new ATOM 0 HE1 MET A 73 7.800 11.228 -23.855 1.00 0.00 H new ATOM 0 HE2 MET A 73 7.149 12.049 -25.293 1.00 0.00 H new ATOM 0 HE3 MET A 73 7.772 13.005 -23.928 1.00 0.00 H new ATOM 850 N VAL A 74 5.657 14.679 -20.724 1.00 0.00 N ATOM 851 CA VAL A 74 6.612 15.460 -19.922 1.00 0.00 C ATOM 852 C VAL A 74 8.040 15.292 -20.453 1.00 0.00 C ATOM 853 O VAL A 74 8.514 14.173 -20.658 1.00 0.00 O ATOM 854 CB VAL A 74 6.539 15.043 -18.437 1.00 0.00 C ATOM 855 CG1 VAL A 74 7.477 15.896 -17.576 1.00 0.00 C ATOM 856 CG2 VAL A 74 5.119 15.192 -17.866 1.00 0.00 C ATOM 0 H VAL A 74 5.915 13.695 -20.796 1.00 0.00 H new ATOM 0 HA VAL A 74 6.340 16.512 -20.003 1.00 0.00 H new ATOM 0 HB VAL A 74 6.839 13.995 -18.405 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.404 15.580 -16.535 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.503 15.771 -17.922 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.192 16.945 -17.657 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.114 14.888 -16.819 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.803 16.232 -17.943 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.432 14.562 -18.430 1.00 0.00 H new ATOM 866 N TYR A 75 8.746 16.409 -20.628 1.00 0.00 N ATOM 867 CA TYR A 75 10.167 16.473 -20.978 1.00 0.00 C ATOM 868 C TYR A 75 11.027 16.953 -19.793 1.00 0.00 C ATOM 869 O TYR A 75 10.526 17.518 -18.821 1.00 0.00 O ATOM 870 CB TYR A 75 10.343 17.355 -22.224 1.00 0.00 C ATOM 871 CG TYR A 75 9.694 16.720 -23.431 1.00 0.00 C ATOM 872 CD1 TYR A 75 10.297 15.582 -23.993 1.00 0.00 C ATOM 873 CD2 TYR A 75 8.457 17.183 -23.920 1.00 0.00 C ATOM 874 CE1 TYR A 75 9.656 14.887 -25.029 1.00 0.00 C ATOM 875 CE2 TYR A 75 7.825 16.505 -24.981 1.00 0.00 C ATOM 876 CZ TYR A 75 8.422 15.350 -25.538 1.00 0.00 C ATOM 877 OH TYR A 75 7.818 14.677 -26.557 1.00 0.00 O ATOM 0 H TYR A 75 8.327 17.333 -20.526 1.00 0.00 H new ATOM 0 HA TYR A 75 10.522 15.469 -21.213 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.904 18.336 -22.044 1.00 0.00 H new ATOM 0 HB3 TYR A 75 11.404 17.511 -22.417 1.00 0.00 H new ATOM 0 HD1 TYR A 75 11.255 15.242 -23.627 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.994 18.055 -23.483 1.00 0.00 H new ATOM 0 HE1 TYR A 75 10.107 13.995 -25.439 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.884 16.867 -25.369 1.00 0.00 H new ATOM 0 HH TYR A 75 6.977 15.123 -26.790 1.00 0.00 H new ATOM 887 N CYS A 76 12.339 16.727 -19.884 1.00 0.00 N ATOM 888 CA CYS A 76 13.375 17.131 -18.917 1.00 0.00 C ATOM 889 C CYS A 76 14.695 17.503 -19.625 1.00 0.00 C ATOM 890 O CYS A 76 15.782 17.278 -19.090 1.00 0.00 O ATOM 891 CB CYS A 76 13.595 15.979 -17.930 1.00 0.00 C ATOM 892 SG CYS A 76 12.262 15.891 -16.702 1.00 0.00 S ATOM 0 H CYS A 76 12.736 16.228 -20.680 1.00 0.00 H new ATOM 0 HA CYS A 76 13.040 18.020 -18.383 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.651 15.037 -18.475 1.00 0.00 H new ATOM 0 HB3 CYS A 76 14.551 16.111 -17.422 1.00 0.00 H new ATOM 0 HG CYS A 76 11.207 16.495 -17.163 1.00 0.00 H new ATOM 898 N GLY A 77 14.613 18.004 -20.862 1.00 0.00 N ATOM 899 CA GLY A 77 15.770 18.185 -21.741 1.00 0.00 C ATOM 900 C GLY A 77 16.891 19.033 -21.131 1.00 0.00 C ATOM 901 O GLY A 77 16.722 20.230 -20.887 1.00 0.00 O ATOM 0 H GLY A 77 13.732 18.298 -21.284 1.00 0.00 H new ATOM 0 HA2 GLY A 77 16.171 17.206 -22.003 1.00 0.00 H new ATOM 0 HA3 GLY A 77 15.439 18.652 -22.668 1.00 0.00 H new ATOM 905 N GLY A 78 18.036 18.389 -20.880 1.00 0.00 N ATOM 906 CA GLY A 78 19.225 18.998 -20.280 1.00 0.00 C ATOM 907 C GLY A 78 19.103 19.382 -18.797 1.00 0.00 C ATOM 908 O GLY A 78 19.976 20.106 -18.311 1.00 0.00 O ATOM 0 H GLY A 78 18.163 17.400 -21.096 1.00 0.00 H new ATOM 0 HA2 GLY A 78 20.059 18.305 -20.389 1.00 0.00 H new ATOM 0 HA3 GLY A 78 19.478 19.893 -20.848 1.00 0.00 H new ATOM 912 N ASP A 79 18.061 18.951 -18.066 1.00 0.00 N ATOM 913 CA ASP A 79 17.844 19.350 -16.674 1.00 0.00 C ATOM 914 C ASP A 79 18.312 18.267 -15.684 1.00 0.00 C ATOM 915 O ASP A 79 18.412 17.070 -15.993 1.00 0.00 O ATOM 916 CB ASP A 79 16.374 19.771 -16.464 1.00 0.00 C ATOM 917 CG ASP A 79 16.188 20.873 -15.396 1.00 0.00 C ATOM 918 OD1 ASP A 79 17.094 21.097 -14.558 1.00 0.00 O ATOM 919 OD2 ASP A 79 15.127 21.542 -15.399 1.00 0.00 O ATOM 0 H ASP A 79 17.349 18.317 -18.428 1.00 0.00 H new ATOM 0 HA ASP A 79 18.464 20.221 -16.461 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.968 20.124 -17.412 1.00 0.00 H new ATOM 0 HB3 ASP A 79 15.793 18.896 -16.175 1.00 0.00 H new ATOM 924 N LEU A 80 18.556 18.694 -14.448 1.00 0.00 N ATOM 925 CA LEU A 80 19.008 17.833 -13.359 1.00 0.00 C ATOM 926 C LEU A 80 17.985 16.727 -13.040 1.00 0.00 C ATOM 927 O LEU A 80 18.374 15.634 -12.643 1.00 0.00 O ATOM 928 CB LEU A 80 19.345 18.705 -12.135 1.00 0.00 C ATOM 929 CG LEU A 80 20.780 19.269 -12.060 1.00 0.00 C ATOM 930 CD1 LEU A 80 21.831 18.167 -11.902 1.00 0.00 C ATOM 931 CD2 LEU A 80 21.153 20.136 -13.263 1.00 0.00 C ATOM 0 H LEU A 80 18.443 19.669 -14.170 1.00 0.00 H new ATOM 0 HA LEU A 80 19.913 17.308 -13.666 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.648 19.543 -12.112 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.164 18.115 -11.237 1.00 0.00 H new ATOM 0 HG LEU A 80 20.779 19.899 -11.170 1.00 0.00 H new ATOM 0 HD11 LEU A 80 22.824 18.615 -11.854 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.639 17.610 -10.985 1.00 0.00 H new ATOM 0 HD13 LEU A 80 21.779 17.490 -12.755 1.00 0.00 H new ATOM 0 HD21 LEU A 80 22.174 20.500 -13.147 1.00 0.00 H new ATOM 0 HD22 LEU A 80 21.081 19.543 -14.175 1.00 0.00 H new ATOM 0 HD23 LEU A 80 20.471 20.984 -13.326 1.00 0.00 H new ATOM 943 N LEU A 81 16.690 16.957 -13.288 1.00 0.00 N ATOM 944 CA LEU A 81 15.656 15.916 -13.185 1.00 0.00 C ATOM 945 C LEU A 81 15.815 14.823 -14.259 1.00 0.00 C ATOM 946 O LEU A 81 15.643 13.641 -13.967 1.00 0.00 O ATOM 947 CB LEU A 81 14.264 16.574 -13.249 1.00 0.00 C ATOM 948 CG LEU A 81 13.095 15.584 -13.043 1.00 0.00 C ATOM 949 CD1 LEU A 81 13.157 14.882 -11.684 1.00 0.00 C ATOM 950 CD2 LEU A 81 11.747 16.298 -13.106 1.00 0.00 C ATOM 0 H LEU A 81 16.328 17.869 -13.566 1.00 0.00 H new ATOM 0 HA LEU A 81 15.771 15.412 -12.226 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.206 17.353 -12.489 1.00 0.00 H new ATOM 0 HB3 LEU A 81 14.148 17.063 -14.216 1.00 0.00 H new ATOM 0 HG LEU A 81 13.192 14.853 -13.846 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.314 14.198 -11.589 1.00 0.00 H new ATOM 0 HD12 LEU A 81 14.089 14.322 -11.606 1.00 0.00 H new ATOM 0 HD13 LEU A 81 13.112 15.625 -10.888 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.945 15.575 -12.958 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.700 17.057 -12.325 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.632 16.773 -14.080 1.00 0.00 H new ATOM 962 N GLY A 82 16.202 15.198 -15.482 1.00 0.00 N ATOM 963 CA GLY A 82 16.540 14.246 -16.547 1.00 0.00 C ATOM 964 C GLY A 82 17.801 13.445 -16.217 1.00 0.00 C ATOM 965 O GLY A 82 17.835 12.230 -16.414 1.00 0.00 O ATOM 0 H GLY A 82 16.290 16.174 -15.763 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.705 13.562 -16.701 1.00 0.00 H new ATOM 0 HA3 GLY A 82 16.687 14.785 -17.483 1.00 0.00 H new ATOM 969 N GLU A 83 18.808 14.090 -15.621 1.00 0.00 N ATOM 970 CA GLU A 83 19.999 13.425 -15.103 1.00 0.00 C ATOM 971 C GLU A 83 19.671 12.474 -13.927 1.00 0.00 C ATOM 972 O GLU A 83 20.236 11.381 -13.847 1.00 0.00 O ATOM 973 CB GLU A 83 20.967 14.555 -14.736 1.00 0.00 C ATOM 974 CG GLU A 83 22.114 14.180 -13.811 1.00 0.00 C ATOM 975 CD GLU A 83 23.081 13.116 -14.376 1.00 0.00 C ATOM 976 OE1 GLU A 83 23.242 13.004 -15.617 1.00 0.00 O ATOM 977 OE2 GLU A 83 23.726 12.400 -13.572 1.00 0.00 O ATOM 0 H GLU A 83 18.816 15.101 -15.485 1.00 0.00 H new ATOM 0 HA GLU A 83 20.453 12.763 -15.840 1.00 0.00 H new ATOM 0 HB2 GLU A 83 21.387 14.959 -15.657 1.00 0.00 H new ATOM 0 HB3 GLU A 83 20.396 15.357 -14.267 1.00 0.00 H new ATOM 0 HG2 GLU A 83 22.683 15.080 -13.577 1.00 0.00 H new ATOM 0 HG3 GLU A 83 21.700 13.812 -12.872 1.00 0.00 H new ATOM 984 N LEU A 84 18.722 12.842 -13.054 1.00 0.00 N ATOM 985 CA LEU A 84 18.259 12.021 -11.929 1.00 0.00 C ATOM 986 C LEU A 84 17.514 10.754 -12.394 1.00 0.00 C ATOM 987 O LEU A 84 17.755 9.668 -11.862 1.00 0.00 O ATOM 988 CB LEU A 84 17.377 12.891 -11.008 1.00 0.00 C ATOM 989 CG LEU A 84 16.817 12.183 -9.757 1.00 0.00 C ATOM 990 CD1 LEU A 84 17.917 11.729 -8.799 1.00 0.00 C ATOM 991 CD2 LEU A 84 15.899 13.138 -8.991 1.00 0.00 C ATOM 0 H LEU A 84 18.244 13.741 -13.113 1.00 0.00 H new ATOM 0 HA LEU A 84 19.128 11.667 -11.375 1.00 0.00 H new ATOM 0 HB2 LEU A 84 17.960 13.753 -10.685 1.00 0.00 H new ATOM 0 HB3 LEU A 84 16.540 13.274 -11.592 1.00 0.00 H new ATOM 0 HG LEU A 84 16.277 11.305 -10.111 1.00 0.00 H new ATOM 0 HD11 LEU A 84 17.468 11.237 -7.936 1.00 0.00 H new ATOM 0 HD12 LEU A 84 18.580 11.031 -9.311 1.00 0.00 H new ATOM 0 HD13 LEU A 84 18.489 12.595 -8.466 1.00 0.00 H new ATOM 0 HD21 LEU A 84 15.505 12.634 -8.108 1.00 0.00 H new ATOM 0 HD22 LEU A 84 16.464 14.019 -8.685 1.00 0.00 H new ATOM 0 HD23 LEU A 84 15.073 13.442 -9.634 1.00 0.00 H new ATOM 1003 N LEU A 85 16.629 10.882 -13.391 1.00 0.00 N ATOM 1004 CA LEU A 85 15.853 9.759 -13.948 1.00 0.00 C ATOM 1005 C LEU A 85 16.634 8.924 -14.983 1.00 0.00 C ATOM 1006 O LEU A 85 16.275 7.772 -15.233 1.00 0.00 O ATOM 1007 CB LEU A 85 14.526 10.283 -14.540 1.00 0.00 C ATOM 1008 CG LEU A 85 13.355 10.310 -13.538 1.00 0.00 C ATOM 1009 CD1 LEU A 85 13.601 11.199 -12.321 1.00 0.00 C ATOM 1010 CD2 LEU A 85 12.107 10.840 -14.242 1.00 0.00 C ATOM 0 H LEU A 85 16.427 11.775 -13.840 1.00 0.00 H new ATOM 0 HA LEU A 85 15.641 9.078 -13.124 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.685 11.291 -14.923 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.248 9.659 -15.389 1.00 0.00 H new ATOM 0 HG LEU A 85 13.238 9.285 -13.185 1.00 0.00 H new ATOM 0 HD11 LEU A 85 12.732 11.165 -11.664 1.00 0.00 H new ATOM 0 HD12 LEU A 85 14.478 10.842 -11.781 1.00 0.00 H new ATOM 0 HD13 LEU A 85 13.769 12.225 -12.648 1.00 0.00 H new ATOM 0 HD21 LEU A 85 11.274 10.862 -13.539 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.297 11.848 -14.610 1.00 0.00 H new ATOM 0 HD23 LEU A 85 11.858 10.189 -15.080 1.00 0.00 H new ATOM 1022 N GLY A 86 17.683 9.484 -15.597 1.00 0.00 N ATOM 1023 CA GLY A 86 18.493 8.827 -16.634 1.00 0.00 C ATOM 1024 C GLY A 86 17.919 8.933 -18.057 1.00 0.00 C ATOM 1025 O GLY A 86 18.537 8.442 -19.006 1.00 0.00 O ATOM 0 H GLY A 86 18.001 10.429 -15.383 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.492 9.262 -16.626 1.00 0.00 H new ATOM 0 HA3 GLY A 86 18.602 7.773 -16.378 1.00 0.00 H new ATOM 1029 N ARG A 87 16.761 9.591 -18.217 1.00 0.00 N ATOM 1030 CA ARG A 87 16.155 9.985 -19.503 1.00 0.00 C ATOM 1031 C ARG A 87 15.415 11.308 -19.399 1.00 0.00 C ATOM 1032 O ARG A 87 14.958 11.704 -18.330 1.00 0.00 O ATOM 1033 CB ARG A 87 15.233 8.897 -20.091 1.00 0.00 C ATOM 1034 CG ARG A 87 14.241 8.245 -19.111 1.00 0.00 C ATOM 1035 CD ARG A 87 13.423 7.160 -19.827 1.00 0.00 C ATOM 1036 NE ARG A 87 12.503 7.746 -20.824 1.00 0.00 N ATOM 1037 CZ ARG A 87 12.175 7.272 -22.012 1.00 0.00 C ATOM 1038 NH1 ARG A 87 12.552 6.094 -22.421 1.00 0.00 N ATOM 1039 NH2 ARG A 87 11.453 7.991 -22.822 1.00 0.00 N ATOM 0 H ARG A 87 16.194 9.877 -17.419 1.00 0.00 H new ATOM 0 HA ARG A 87 16.988 10.111 -20.194 1.00 0.00 H new ATOM 0 HB2 ARG A 87 14.666 9.336 -20.912 1.00 0.00 H new ATOM 0 HB3 ARG A 87 15.858 8.113 -20.519 1.00 0.00 H new ATOM 0 HG2 ARG A 87 14.782 7.808 -18.272 1.00 0.00 H new ATOM 0 HG3 ARG A 87 13.573 9.002 -18.700 1.00 0.00 H new ATOM 0 HD2 ARG A 87 14.098 6.460 -20.320 1.00 0.00 H new ATOM 0 HD3 ARG A 87 12.852 6.590 -19.094 1.00 0.00 H new ATOM 0 HE ARG A 87 12.066 8.629 -20.561 1.00 0.00 H new ATOM 0 HH11 ARG A 87 13.121 5.502 -21.816 1.00 0.00 H new ATOM 0 HH12 ARG A 87 12.278 5.764 -23.346 1.00 0.00 H new ATOM 0 HH21 ARG A 87 11.141 8.920 -22.539 1.00 0.00 H new ATOM 0 HH22 ARG A 87 11.199 7.625 -23.740 1.00 0.00 H new ATOM 1053 N GLN A 88 15.277 11.969 -20.546 1.00 0.00 N ATOM 1054 CA GLN A 88 14.736 13.326 -20.666 1.00 0.00 C ATOM 1055 C GLN A 88 13.271 13.381 -21.092 1.00 0.00 C ATOM 1056 O GLN A 88 12.770 14.438 -21.473 1.00 0.00 O ATOM 1057 CB GLN A 88 15.677 14.185 -21.518 1.00 0.00 C ATOM 1058 CG GLN A 88 17.037 14.275 -20.806 1.00 0.00 C ATOM 1059 CD GLN A 88 18.092 13.250 -21.245 1.00 0.00 C ATOM 1060 OE1 GLN A 88 17.864 12.344 -22.037 1.00 0.00 O ATOM 1061 NE2 GLN A 88 19.298 13.340 -20.724 1.00 0.00 N ATOM 0 H GLN A 88 15.545 11.567 -21.444 1.00 0.00 H new ATOM 0 HA GLN A 88 14.705 13.763 -19.668 1.00 0.00 H new ATOM 0 HB2 GLN A 88 15.797 13.747 -22.509 1.00 0.00 H new ATOM 0 HB3 GLN A 88 15.257 15.181 -21.659 1.00 0.00 H new ATOM 0 HG2 GLN A 88 17.442 15.275 -20.963 1.00 0.00 H new ATOM 0 HG3 GLN A 88 16.873 14.162 -19.734 1.00 0.00 H new ATOM 0 HE21 GLN A 88 19.513 14.086 -20.062 1.00 0.00 H new ATOM 0 HE22 GLN A 88 20.017 12.664 -20.982 1.00 0.00 H new ATOM 1070 N SER A 89 12.576 12.253 -20.978 1.00 0.00 N ATOM 1071 CA SER A 89 11.108 12.208 -21.136 1.00 0.00 C ATOM 1072 C SER A 89 10.400 11.071 -20.394 1.00 0.00 C ATOM 1073 O SER A 89 10.981 10.010 -20.160 1.00 0.00 O ATOM 1074 CB SER A 89 10.720 12.173 -22.617 1.00 0.00 C ATOM 1075 OG SER A 89 11.044 10.914 -23.197 1.00 0.00 O ATOM 0 H SER A 89 13.000 11.348 -20.776 1.00 0.00 H new ATOM 0 HA SER A 89 10.760 13.128 -20.666 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.652 12.362 -22.722 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.239 12.969 -23.152 1.00 0.00 H new ATOM 0 HG SER A 89 10.786 10.913 -24.142 1.00 0.00 H new ATOM 1081 N PHE A 90 9.131 11.298 -20.045 1.00 0.00 N ATOM 1082 CA PHE A 90 8.163 10.333 -19.498 1.00 0.00 C ATOM 1083 C PHE A 90 6.731 10.900 -19.637 1.00 0.00 C ATOM 1084 O PHE A 90 6.546 12.008 -20.141 1.00 0.00 O ATOM 1085 CB PHE A 90 8.512 10.008 -18.032 1.00 0.00 C ATOM 1086 CG PHE A 90 8.641 11.202 -17.106 1.00 0.00 C ATOM 1087 CD1 PHE A 90 7.520 11.680 -16.404 1.00 0.00 C ATOM 1088 CD2 PHE A 90 9.894 11.823 -16.931 1.00 0.00 C ATOM 1089 CE1 PHE A 90 7.653 12.774 -15.532 1.00 0.00 C ATOM 1090 CE2 PHE A 90 10.023 12.918 -16.060 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.906 13.388 -15.353 1.00 0.00 C ATOM 0 H PHE A 90 8.720 12.226 -20.143 1.00 0.00 H new ATOM 0 HA PHE A 90 8.211 9.401 -20.061 1.00 0.00 H new ATOM 0 HB2 PHE A 90 7.745 9.344 -17.634 1.00 0.00 H new ATOM 0 HB3 PHE A 90 9.451 9.456 -18.015 1.00 0.00 H new ATOM 0 HD1 PHE A 90 6.558 11.207 -16.535 1.00 0.00 H new ATOM 0 HD2 PHE A 90 10.757 11.457 -17.467 1.00 0.00 H new ATOM 0 HE1 PHE A 90 6.791 13.144 -14.998 1.00 0.00 H new ATOM 0 HE2 PHE A 90 10.982 13.398 -15.935 1.00 0.00 H new ATOM 0 HZ PHE A 90 9.008 14.220 -14.672 1.00 0.00 H new ATOM 1101 N SER A 91 5.696 10.174 -19.208 1.00 0.00 N ATOM 1102 CA SER A 91 4.307 10.660 -19.249 1.00 0.00 C ATOM 1103 C SER A 91 3.473 10.167 -18.063 1.00 0.00 C ATOM 1104 O SER A 91 3.893 9.281 -17.319 1.00 0.00 O ATOM 1105 CB SER A 91 3.663 10.244 -20.576 1.00 0.00 C ATOM 1106 OG SER A 91 3.211 8.901 -20.518 1.00 0.00 O ATOM 0 H SER A 91 5.792 9.235 -18.823 1.00 0.00 H new ATOM 0 HA SER A 91 4.332 11.747 -19.174 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.826 10.905 -20.802 1.00 0.00 H new ATOM 0 HB3 SER A 91 4.384 10.355 -21.386 1.00 0.00 H new ATOM 0 HG SER A 91 2.802 8.656 -21.374 1.00 0.00 H new ATOM 1112 N VAL A 92 2.253 10.695 -17.908 1.00 0.00 N ATOM 1113 CA VAL A 92 1.278 10.173 -16.924 1.00 0.00 C ATOM 1114 C VAL A 92 0.650 8.824 -17.335 1.00 0.00 C ATOM 1115 O VAL A 92 -0.060 8.211 -16.536 1.00 0.00 O ATOM 1116 CB VAL A 92 0.201 11.213 -16.555 1.00 0.00 C ATOM 1117 CG1 VAL A 92 0.838 12.500 -16.016 1.00 0.00 C ATOM 1118 CG2 VAL A 92 -0.705 11.563 -17.738 1.00 0.00 C ATOM 0 H VAL A 92 1.910 11.487 -18.451 1.00 0.00 H new ATOM 0 HA VAL A 92 1.859 9.974 -16.024 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.411 10.752 -15.780 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.055 13.215 -15.764 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.422 12.271 -15.124 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.491 12.929 -16.776 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.445 12.299 -17.424 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.103 11.976 -18.547 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.213 10.663 -18.086 1.00 0.00 H new ATOM 1128 N LYS A 93 0.925 8.338 -18.559 1.00 0.00 N ATOM 1129 CA LYS A 93 0.585 6.978 -19.028 1.00 0.00 C ATOM 1130 C LYS A 93 1.752 5.992 -18.857 1.00 0.00 C ATOM 1131 O LYS A 93 1.519 4.802 -18.642 1.00 0.00 O ATOM 1132 CB LYS A 93 0.122 7.025 -20.495 1.00 0.00 C ATOM 1133 CG LYS A 93 -1.221 7.754 -20.668 1.00 0.00 C ATOM 1134 CD LYS A 93 -1.644 7.779 -22.144 1.00 0.00 C ATOM 1135 CE LYS A 93 -2.953 8.562 -22.314 1.00 0.00 C ATOM 1136 NZ LYS A 93 -3.391 8.598 -23.737 1.00 0.00 N ATOM 0 H LYS A 93 1.402 8.893 -19.269 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.231 6.611 -18.406 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.882 7.524 -21.096 1.00 0.00 H new ATOM 0 HB3 LYS A 93 0.031 6.008 -20.876 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -1.988 7.257 -20.074 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.137 8.774 -20.292 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -0.859 8.236 -22.746 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -1.773 6.760 -22.509 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -3.733 8.105 -21.705 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -2.818 9.580 -21.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.278 9.135 -23.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -2.658 9.057 -24.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.543 7.627 -24.078 1.00 0.00 H new ATOM 1150 N ASP A 94 2.991 6.487 -18.898 1.00 0.00 N ATOM 1151 CA ASP A 94 4.235 5.732 -18.705 1.00 0.00 C ATOM 1152 C ASP A 94 5.149 6.403 -17.645 1.00 0.00 C ATOM 1153 O ASP A 94 6.205 6.950 -17.986 1.00 0.00 O ATOM 1154 CB ASP A 94 4.937 5.545 -20.062 1.00 0.00 C ATOM 1155 CG ASP A 94 4.154 4.609 -20.998 1.00 0.00 C ATOM 1156 OD1 ASP A 94 4.208 3.371 -20.798 1.00 0.00 O ATOM 1157 OD2 ASP A 94 3.507 5.095 -21.958 1.00 0.00 O ATOM 0 H ASP A 94 3.165 7.476 -19.076 1.00 0.00 H new ATOM 0 HA ASP A 94 3.999 4.744 -18.310 1.00 0.00 H new ATOM 0 HB2 ASP A 94 5.060 6.516 -20.542 1.00 0.00 H new ATOM 0 HB3 ASP A 94 5.936 5.141 -19.899 1.00 0.00 H new ATOM 1162 N PRO A 95 4.771 6.364 -16.347 1.00 0.00 N ATOM 1163 CA PRO A 95 5.579 6.880 -15.232 1.00 0.00 C ATOM 1164 C PRO A 95 6.730 5.941 -14.820 1.00 0.00 C ATOM 1165 O PRO A 95 7.468 6.231 -13.878 1.00 0.00 O ATOM 1166 CB PRO A 95 4.576 7.075 -14.091 1.00 0.00 C ATOM 1167 CG PRO A 95 3.603 5.917 -14.317 1.00 0.00 C ATOM 1168 CD PRO A 95 3.498 5.865 -15.839 1.00 0.00 C ATOM 0 HA PRO A 95 6.086 7.803 -15.513 1.00 0.00 H new ATOM 0 HB2 PRO A 95 5.055 7.020 -13.114 1.00 0.00 H new ATOM 0 HB3 PRO A 95 4.078 8.043 -14.147 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.982 4.982 -13.904 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.636 6.103 -13.850 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.313 4.847 -16.183 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.669 6.477 -16.194 1.00 0.00 H new ATOM 1176 N SER A 96 6.896 4.809 -15.512 1.00 0.00 N ATOM 1177 CA SER A 96 7.878 3.746 -15.246 1.00 0.00 C ATOM 1178 C SER A 96 9.317 4.216 -14.950 1.00 0.00 C ATOM 1179 O SER A 96 9.945 3.600 -14.088 1.00 0.00 O ATOM 1180 CB SER A 96 7.891 2.752 -16.419 1.00 0.00 C ATOM 1181 OG SER A 96 6.568 2.416 -16.826 1.00 0.00 O ATOM 0 H SER A 96 6.315 4.595 -16.322 1.00 0.00 H new ATOM 0 HA SER A 96 7.541 3.278 -14.321 1.00 0.00 H new ATOM 0 HB2 SER A 96 8.434 3.185 -17.259 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.425 1.848 -16.127 1.00 0.00 H new ATOM 0 HG SER A 96 5.983 2.383 -16.041 1.00 0.00 H new ATOM 1187 N PRO A 97 9.858 5.305 -15.545 1.00 0.00 N ATOM 1188 CA PRO A 97 11.201 5.796 -15.213 1.00 0.00 C ATOM 1189 C PRO A 97 11.386 6.237 -13.749 1.00 0.00 C ATOM 1190 O PRO A 97 12.497 6.138 -13.229 1.00 0.00 O ATOM 1191 CB PRO A 97 11.475 6.940 -16.197 1.00 0.00 C ATOM 1192 CG PRO A 97 10.629 6.543 -17.405 1.00 0.00 C ATOM 1193 CD PRO A 97 9.375 6.004 -16.732 1.00 0.00 C ATOM 0 HA PRO A 97 11.920 4.982 -15.310 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.175 7.906 -15.791 1.00 0.00 H new ATOM 0 HB3 PRO A 97 12.533 7.015 -16.449 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.414 7.393 -18.053 1.00 0.00 H new ATOM 0 HG3 PRO A 97 11.121 5.790 -18.020 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.692 6.810 -16.465 1.00 0.00 H new ATOM 0 HD3 PRO A 97 8.830 5.330 -17.393 1.00 0.00 H new ATOM 1201 N LEU A 98 10.319 6.661 -13.053 1.00 0.00 N ATOM 1202 CA LEU A 98 10.351 6.933 -11.605 1.00 0.00 C ATOM 1203 C LEU A 98 10.432 5.618 -10.814 1.00 0.00 C ATOM 1204 O LEU A 98 11.248 5.458 -9.903 1.00 0.00 O ATOM 1205 CB LEU A 98 9.096 7.717 -11.164 1.00 0.00 C ATOM 1206 CG LEU A 98 9.019 9.203 -11.567 1.00 0.00 C ATOM 1207 CD1 LEU A 98 8.737 9.435 -13.053 1.00 0.00 C ATOM 1208 CD2 LEU A 98 7.879 9.854 -10.780 1.00 0.00 C ATOM 0 H LEU A 98 9.407 6.826 -13.479 1.00 0.00 H new ATOM 0 HA LEU A 98 11.236 7.536 -11.399 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.221 7.210 -11.570 1.00 0.00 H new ATOM 0 HB3 LEU A 98 9.024 7.657 -10.078 1.00 0.00 H new ATOM 0 HG LEU A 98 9.997 9.633 -11.350 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.699 10.506 -13.253 1.00 0.00 H new ATOM 0 HD12 LEU A 98 9.530 8.983 -13.649 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.781 8.982 -13.317 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.806 10.908 -11.050 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.941 9.353 -11.017 1.00 0.00 H new ATOM 0 HD23 LEU A 98 8.078 9.766 -9.712 1.00 0.00 H new ATOM 1220 N TYR A 99 9.605 4.642 -11.188 1.00 0.00 N ATOM 1221 CA TYR A 99 9.571 3.345 -10.518 1.00 0.00 C ATOM 1222 C TYR A 99 10.860 2.542 -10.733 1.00 0.00 C ATOM 1223 O TYR A 99 11.300 1.859 -9.817 1.00 0.00 O ATOM 1224 CB TYR A 99 8.333 2.558 -10.961 1.00 0.00 C ATOM 1225 CG TYR A 99 7.024 3.175 -10.504 1.00 0.00 C ATOM 1226 CD1 TYR A 99 6.599 2.996 -9.174 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.234 3.929 -11.396 1.00 0.00 C ATOM 1228 CE1 TYR A 99 5.383 3.553 -8.738 1.00 0.00 C ATOM 1229 CE2 TYR A 99 5.023 4.499 -10.958 1.00 0.00 C ATOM 1230 CZ TYR A 99 4.591 4.309 -9.626 1.00 0.00 C ATOM 1231 OH TYR A 99 3.411 4.839 -9.196 1.00 0.00 O ATOM 0 H TYR A 99 8.944 4.728 -11.960 1.00 0.00 H new ATOM 0 HA TYR A 99 9.504 3.525 -9.445 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.330 2.484 -12.048 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.401 1.542 -10.573 1.00 0.00 H new ATOM 0 HD1 TYR A 99 7.209 2.429 -8.486 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.558 4.070 -12.417 1.00 0.00 H new ATOM 0 HE1 TYR A 99 5.055 3.401 -7.720 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.423 5.082 -11.641 1.00 0.00 H new ATOM 0 HH TYR A 99 2.988 5.332 -9.929 1.00 0.00 H new ATOM 1241 N ASP A 100 11.534 2.687 -11.876 1.00 0.00 N ATOM 1242 CA ASP A 100 12.867 2.112 -12.108 1.00 0.00 C ATOM 1243 C ASP A 100 13.959 2.766 -11.239 1.00 0.00 C ATOM 1244 O ASP A 100 14.909 2.113 -10.803 1.00 0.00 O ATOM 1245 CB ASP A 100 13.219 2.267 -13.589 1.00 0.00 C ATOM 1246 CG ASP A 100 14.473 1.457 -13.960 1.00 0.00 C ATOM 1247 OD1 ASP A 100 14.512 0.236 -13.673 1.00 0.00 O ATOM 1248 OD2 ASP A 100 15.423 2.033 -14.541 1.00 0.00 O ATOM 0 H ASP A 100 11.171 3.209 -12.673 1.00 0.00 H new ATOM 0 HA ASP A 100 12.830 1.060 -11.825 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.378 1.938 -14.200 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.385 3.320 -13.816 1.00 0.00 H new ATOM 1253 N MET A 101 13.786 4.055 -10.938 1.00 0.00 N ATOM 1254 CA MET A 101 14.583 4.808 -9.960 1.00 0.00 C ATOM 1255 C MET A 101 14.341 4.303 -8.519 1.00 0.00 C ATOM 1256 O MET A 101 15.279 4.237 -7.726 1.00 0.00 O ATOM 1257 CB MET A 101 14.307 6.320 -10.170 1.00 0.00 C ATOM 1258 CG MET A 101 13.999 7.164 -8.926 1.00 0.00 C ATOM 1259 SD MET A 101 13.260 8.783 -9.303 1.00 0.00 S ATOM 1260 CE MET A 101 11.766 8.706 -8.266 1.00 0.00 C ATOM 0 H MET A 101 13.065 4.624 -11.381 1.00 0.00 H new ATOM 0 HA MET A 101 15.649 4.643 -10.119 1.00 0.00 H new ATOM 0 HB2 MET A 101 15.176 6.755 -10.665 1.00 0.00 H new ATOM 0 HB3 MET A 101 13.467 6.416 -10.858 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.321 6.607 -8.279 1.00 0.00 H new ATOM 0 HG3 MET A 101 14.921 7.317 -8.365 1.00 0.00 H new ATOM 0 HE1 MET A 101 11.196 9.628 -8.381 1.00 0.00 H new ATOM 0 HE2 MET A 101 11.153 7.859 -8.574 1.00 0.00 H new ATOM 0 HE3 MET A 101 12.054 8.585 -7.222 1.00 0.00 H new ATOM 1270 N LEU A 102 13.104 3.908 -8.184 1.00 0.00 N ATOM 1271 CA LEU A 102 12.688 3.487 -6.836 1.00 0.00 C ATOM 1272 C LEU A 102 12.923 1.999 -6.540 1.00 0.00 C ATOM 1273 O LEU A 102 13.386 1.683 -5.447 1.00 0.00 O ATOM 1274 CB LEU A 102 11.208 3.865 -6.634 1.00 0.00 C ATOM 1275 CG LEU A 102 10.988 5.383 -6.521 1.00 0.00 C ATOM 1276 CD1 LEU A 102 9.537 5.728 -6.837 1.00 0.00 C ATOM 1277 CD2 LEU A 102 11.340 5.886 -5.120 1.00 0.00 C ATOM 0 H LEU A 102 12.343 3.871 -8.862 1.00 0.00 H new ATOM 0 HA LEU A 102 13.321 4.015 -6.123 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.623 3.479 -7.469 1.00 0.00 H new ATOM 0 HB3 LEU A 102 10.834 3.381 -5.732 1.00 0.00 H new ATOM 0 HG LEU A 102 11.644 5.873 -7.241 1.00 0.00 H new ATOM 0 HD11 LEU A 102 9.393 6.805 -6.754 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.299 5.407 -7.851 1.00 0.00 H new ATOM 0 HD13 LEU A 102 8.880 5.219 -6.132 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.175 6.962 -5.068 1.00 0.00 H new ATOM 0 HD22 LEU A 102 10.709 5.386 -4.385 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.387 5.668 -4.908 1.00 0.00 H new ATOM 1289 N ARG A 103 12.681 1.093 -7.499 1.00 0.00 N ATOM 1290 CA ARG A 103 12.832 -0.377 -7.352 1.00 0.00 C ATOM 1291 C ARG A 103 14.240 -0.815 -6.941 1.00 0.00 C ATOM 1292 O ARG A 103 14.430 -1.840 -6.289 1.00 0.00 O ATOM 1293 CB ARG A 103 12.366 -1.080 -8.646 1.00 0.00 C ATOM 1294 CG ARG A 103 13.194 -0.844 -9.922 1.00 0.00 C ATOM 1295 CD ARG A 103 14.416 -1.749 -10.129 1.00 0.00 C ATOM 1296 NE ARG A 103 15.025 -1.495 -11.447 1.00 0.00 N ATOM 1297 CZ ARG A 103 16.069 -2.089 -11.989 1.00 0.00 C ATOM 1298 NH1 ARG A 103 16.740 -3.034 -11.393 1.00 0.00 N ATOM 1299 NH2 ARG A 103 16.441 -1.710 -13.173 1.00 0.00 N ATOM 0 H ARG A 103 12.365 1.363 -8.430 1.00 0.00 H new ATOM 0 HA ARG A 103 12.193 -0.685 -6.525 1.00 0.00 H new ATOM 0 HB2 ARG A 103 12.341 -2.153 -8.455 1.00 0.00 H new ATOM 0 HB3 ARG A 103 11.341 -0.768 -8.848 1.00 0.00 H new ATOM 0 HG2 ARG A 103 12.534 -0.961 -10.782 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.534 0.192 -9.920 1.00 0.00 H new ATOM 0 HD2 ARG A 103 15.148 -1.568 -9.342 1.00 0.00 H new ATOM 0 HD3 ARG A 103 14.119 -2.795 -10.054 1.00 0.00 H new ATOM 0 HE ARG A 103 14.583 -0.768 -12.010 1.00 0.00 H new ATOM 0 HH11 ARG A 103 16.464 -3.346 -10.462 1.00 0.00 H new ATOM 0 HH12 ARG A 103 17.541 -3.461 -11.857 1.00 0.00 H new ATOM 0 HH21 ARG A 103 15.929 -0.972 -13.657 1.00 0.00 H new ATOM 0 HH22 ARG A 103 17.245 -2.150 -13.620 1.00 0.00 H new ATOM 1313 N LYS A 104 15.220 0.002 -7.333 1.00 0.00 N ATOM 1314 CA LYS A 104 16.648 -0.114 -7.006 1.00 0.00 C ATOM 1315 C LYS A 104 16.949 0.211 -5.532 1.00 0.00 C ATOM 1316 O LYS A 104 17.917 -0.315 -4.981 1.00 0.00 O ATOM 1317 CB LYS A 104 17.392 0.804 -7.990 1.00 0.00 C ATOM 1318 CG LYS A 104 18.921 0.788 -7.841 1.00 0.00 C ATOM 1319 CD LYS A 104 19.633 1.467 -9.023 1.00 0.00 C ATOM 1320 CE LYS A 104 19.115 2.890 -9.290 1.00 0.00 C ATOM 1321 NZ LYS A 104 19.915 3.572 -10.346 1.00 0.00 N ATOM 0 H LYS A 104 15.029 0.812 -7.923 1.00 0.00 H new ATOM 0 HA LYS A 104 16.987 -1.144 -7.117 1.00 0.00 H new ATOM 0 HB2 LYS A 104 17.135 0.510 -9.008 1.00 0.00 H new ATOM 0 HB3 LYS A 104 17.037 1.825 -7.854 1.00 0.00 H new ATOM 0 HG2 LYS A 104 19.198 1.292 -6.915 1.00 0.00 H new ATOM 0 HG3 LYS A 104 19.264 -0.243 -7.757 1.00 0.00 H new ATOM 0 HD2 LYS A 104 20.704 1.506 -8.823 1.00 0.00 H new ATOM 0 HD3 LYS A 104 19.498 0.862 -9.919 1.00 0.00 H new ATOM 0 HE2 LYS A 104 18.069 2.847 -9.595 1.00 0.00 H new ATOM 0 HE3 LYS A 104 19.155 3.472 -8.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 19.540 4.529 -10.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 20.908 3.634 -10.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 19.856 3.029 -11.231 1.00 0.00 H new ATOM 1335 N ASN A 105 16.117 1.038 -4.887 1.00 0.00 N ATOM 1336 CA ASN A 105 16.293 1.462 -3.489 1.00 0.00 C ATOM 1337 C ASN A 105 15.334 0.787 -2.482 1.00 0.00 C ATOM 1338 O ASN A 105 15.788 0.382 -1.410 1.00 0.00 O ATOM 1339 CB ASN A 105 16.227 2.990 -3.437 1.00 0.00 C ATOM 1340 CG ASN A 105 17.477 3.634 -4.023 1.00 0.00 C ATOM 1341 OD1 ASN A 105 17.539 3.997 -5.188 1.00 0.00 O ATOM 1342 ND2 ASN A 105 18.525 3.777 -3.241 1.00 0.00 N ATOM 0 H ASN A 105 15.289 1.439 -5.327 1.00 0.00 H new ATOM 0 HA ASN A 105 17.273 1.119 -3.158 1.00 0.00 H new ATOM 0 HB2 ASN A 105 15.350 3.334 -3.986 1.00 0.00 H new ATOM 0 HB3 ASN A 105 16.103 3.313 -2.403 1.00 0.00 H new ATOM 0 HD21 ASN A 105 19.383 4.189 -3.608 1.00 0.00 H new ATOM 0 HD22 ASN A 105 18.480 3.476 -2.267 1.00 0.00 H new ATOM 1349 N LEU A 106 14.043 0.625 -2.808 1.00 0.00 N ATOM 1350 CA LEU A 106 13.079 -0.180 -2.043 1.00 0.00 C ATOM 1351 C LEU A 106 12.336 -1.194 -2.933 1.00 0.00 C ATOM 1352 O LEU A 106 12.034 -0.911 -4.092 1.00 0.00 O ATOM 1353 CB LEU A 106 12.103 0.716 -1.243 1.00 0.00 C ATOM 1354 CG LEU A 106 11.091 1.558 -2.056 1.00 0.00 C ATOM 1355 CD1 LEU A 106 9.858 1.862 -1.204 1.00 0.00 C ATOM 1356 CD2 LEU A 106 11.666 2.900 -2.519 1.00 0.00 C ATOM 0 H LEU A 106 13.630 1.061 -3.632 1.00 0.00 H new ATOM 0 HA LEU A 106 13.649 -0.763 -1.319 1.00 0.00 H new ATOM 0 HB2 LEU A 106 11.541 0.079 -0.560 1.00 0.00 H new ATOM 0 HB3 LEU A 106 12.694 1.397 -0.630 1.00 0.00 H new ATOM 0 HG LEU A 106 10.840 0.961 -2.933 1.00 0.00 H new ATOM 0 HD11 LEU A 106 9.152 2.455 -1.785 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.385 0.928 -0.902 1.00 0.00 H new ATOM 0 HD13 LEU A 106 10.157 2.420 -0.317 1.00 0.00 H new ATOM 0 HD21 LEU A 106 10.909 3.445 -3.084 1.00 0.00 H new ATOM 0 HD22 LEU A 106 11.963 3.488 -1.650 1.00 0.00 H new ATOM 0 HD23 LEU A 106 12.535 2.724 -3.153 1.00 0.00 H new ATOM 1368 N VAL A 107 11.980 -2.356 -2.377 1.00 0.00 N ATOM 1369 CA VAL A 107 11.091 -3.325 -3.047 1.00 0.00 C ATOM 1370 C VAL A 107 9.652 -2.805 -2.957 1.00 0.00 C ATOM 1371 O VAL A 107 9.101 -2.675 -1.861 1.00 0.00 O ATOM 1372 CB VAL A 107 11.232 -4.742 -2.450 1.00 0.00 C ATOM 1373 CG1 VAL A 107 10.321 -5.746 -3.169 1.00 0.00 C ATOM 1374 CG2 VAL A 107 12.674 -5.255 -2.575 1.00 0.00 C ATOM 0 H VAL A 107 12.295 -2.656 -1.454 1.00 0.00 H new ATOM 0 HA VAL A 107 11.377 -3.416 -4.095 1.00 0.00 H new ATOM 0 HB VAL A 107 10.947 -4.663 -1.401 1.00 0.00 H new ATOM 0 HG11 VAL A 107 10.445 -6.733 -2.724 1.00 0.00 H new ATOM 0 HG12 VAL A 107 9.282 -5.431 -3.069 1.00 0.00 H new ATOM 0 HG13 VAL A 107 10.588 -5.788 -4.225 1.00 0.00 H new ATOM 0 HG21 VAL A 107 12.743 -6.255 -2.146 1.00 0.00 H new ATOM 0 HG22 VAL A 107 12.958 -5.291 -3.627 1.00 0.00 H new ATOM 0 HG23 VAL A 107 13.347 -4.584 -2.041 1.00 0.00 H new ATOM 1384 N THR A 108 9.056 -2.461 -4.102 1.00 0.00 N ATOM 1385 CA THR A 108 7.726 -1.828 -4.184 1.00 0.00 C ATOM 1386 C THR A 108 7.002 -2.129 -5.505 1.00 0.00 C ATOM 1387 O THR A 108 7.559 -2.740 -6.422 1.00 0.00 O ATOM 1388 CB THR A 108 7.842 -0.313 -3.922 1.00 0.00 C ATOM 1389 OG1 THR A 108 6.562 0.242 -3.690 1.00 0.00 O ATOM 1390 CG2 THR A 108 8.533 0.481 -5.033 1.00 0.00 C ATOM 0 H THR A 108 9.486 -2.614 -5.014 1.00 0.00 H new ATOM 0 HA THR A 108 7.104 -2.268 -3.404 1.00 0.00 H new ATOM 0 HB THR A 108 8.478 -0.227 -3.041 1.00 0.00 H new ATOM 0 HG1 THR A 108 6.648 1.204 -3.523 1.00 0.00 H new ATOM 0 HG21 THR A 108 8.568 1.535 -4.759 1.00 0.00 H new ATOM 0 HG22 THR A 108 9.548 0.108 -5.169 1.00 0.00 H new ATOM 0 HG23 THR A 108 7.976 0.366 -5.963 1.00 0.00 H new ATOM 1398 N LEU A 109 5.739 -1.710 -5.581 1.00 0.00 N ATOM 1399 CA LEU A 109 4.857 -1.850 -6.748 1.00 0.00 C ATOM 1400 C LEU A 109 5.112 -0.749 -7.798 1.00 0.00 C ATOM 1401 O LEU A 109 5.643 0.318 -7.479 1.00 0.00 O ATOM 1402 CB LEU A 109 3.385 -1.863 -6.288 1.00 0.00 C ATOM 1403 CG LEU A 109 3.007 -2.996 -5.311 1.00 0.00 C ATOM 1404 CD1 LEU A 109 1.531 -2.874 -4.930 1.00 0.00 C ATOM 1405 CD2 LEU A 109 3.229 -4.389 -5.906 1.00 0.00 C ATOM 0 H LEU A 109 5.279 -1.243 -4.799 1.00 0.00 H new ATOM 0 HA LEU A 109 5.081 -2.799 -7.236 1.00 0.00 H new ATOM 0 HB2 LEU A 109 3.162 -0.907 -5.813 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.747 -1.938 -7.169 1.00 0.00 H new ATOM 0 HG LEU A 109 3.655 -2.888 -4.441 1.00 0.00 H new ATOM 0 HD11 LEU A 109 1.266 -3.675 -4.240 1.00 0.00 H new ATOM 0 HD12 LEU A 109 1.357 -1.910 -4.451 1.00 0.00 H new ATOM 0 HD13 LEU A 109 0.916 -2.950 -5.827 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.946 -5.146 -5.175 1.00 0.00 H new ATOM 0 HD22 LEU A 109 2.618 -4.504 -6.802 1.00 0.00 H new ATOM 0 HD23 LEU A 109 4.281 -4.510 -6.166 1.00 0.00 H new ATOM 1417 N ALA A 110 4.718 -1.007 -9.049 1.00 0.00 N ATOM 1418 CA ALA A 110 4.920 -0.110 -10.193 1.00 0.00 C ATOM 1419 C ALA A 110 3.788 -0.189 -11.230 1.00 0.00 C ATOM 1420 O ALA A 110 2.940 -1.086 -11.184 1.00 0.00 O ATOM 1421 CB ALA A 110 6.249 -0.464 -10.860 1.00 0.00 C ATOM 0 H ALA A 110 4.236 -1.870 -9.302 1.00 0.00 H new ATOM 0 HA ALA A 110 4.925 0.912 -9.814 1.00 0.00 H new ATOM 0 HB1 ALA A 110 6.415 0.194 -11.713 1.00 0.00 H new ATOM 0 HB2 ALA A 110 7.060 -0.340 -10.143 1.00 0.00 H new ATOM 0 HB3 ALA A 110 6.221 -1.499 -11.200 1.00 0.00 H new ATOM 1427 N THR A 111 3.790 0.754 -12.179 1.00 0.00 N ATOM 1428 CA THR A 111 2.762 0.870 -13.226 1.00 0.00 C ATOM 1429 C THR A 111 3.254 1.587 -14.488 1.00 0.00 C ATOM 1430 O THR A 111 4.295 2.260 -14.480 1.00 0.00 O ATOM 1431 CB THR A 111 1.528 1.550 -12.619 1.00 0.00 C ATOM 1432 OG1 THR A 111 0.379 1.322 -13.414 1.00 0.00 O ATOM 1433 CG2 THR A 111 1.665 3.054 -12.362 1.00 0.00 C ATOM 0 H THR A 111 4.515 1.469 -12.244 1.00 0.00 H new ATOM 0 HA THR A 111 2.503 -0.132 -13.567 1.00 0.00 H new ATOM 0 HB THR A 111 1.426 1.082 -11.640 1.00 0.00 H new ATOM 0 HG1 THR A 111 -0.394 1.764 -13.005 1.00 0.00 H new ATOM 0 HG21 THR A 111 0.739 3.436 -11.933 1.00 0.00 H new ATOM 0 HG22 THR A 111 2.487 3.231 -11.668 1.00 0.00 H new ATOM 0 HG23 THR A 111 1.868 3.567 -13.302 1.00 0.00 H new TER 1441 THR A 111 HETATM 1442 N 49H A 200 -1.594 13.119 -12.290 1.00 0.00 N HETATM 1443 CG1 49H A 200 1.541 13.385 -11.266 1.00 0.00 C HETATM 1444 CG2 49H A 200 -0.480 11.239 -11.015 1.00 0.00 C HETATM 1445 CG3 49H A 200 -1.496 14.923 -13.901 1.00 0.00 C HETATM 1446 CD1 49H A 200 1.984 13.617 -12.575 1.00 0.00 C HETATM 1447 CD2 49H A 200 2.403 12.759 -10.361 1.00 0.00 C HETATM 1448 CD3 49H A 200 0.128 10.678 -12.140 1.00 0.00 C HETATM 1449 CD4 49H A 200 -0.682 10.446 -9.881 1.00 0.00 C HETATM 1450 CD5 49H A 200 -2.450 14.299 -14.721 1.00 0.00 C HETATM 1451 CD6 49H A 200 -0.825 16.054 -14.407 1.00 0.00 C HETATM 1452 CE1 49H A 200 3.256 13.212 -12.974 1.00 0.00 C HETATM 1453 CE2 49H A 200 3.673 12.351 -10.762 1.00 0.00 C HETATM 1454 CE3 49H A 200 0.534 9.347 -12.127 1.00 0.00 C HETATM 1455 CE4 49H A 200 -0.288 9.109 -9.875 1.00 0.00 C HETATM 1456 CE5 49H A 200 -2.777 14.815 -15.970 1.00 0.00 C HETATM 1457 CE6 49H A 200 -1.183 16.581 -15.652 1.00 0.00 C HETATM 1458 CZ1 49H A 200 4.095 12.572 -12.069 1.00 0.00 C HETATM 1459 CZ2 49H A 200 0.323 8.557 -11.000 1.00 0.00 C HETATM 1460 CZ3 49H A 200 -2.158 15.967 -16.425 1.00 0.00 C HETATM 1461 CL1 49H A 200 5.655 12.035 -12.577 1.00 0.00 CL HETATM 1462 CL2 49H A 200 1.296 8.674 -13.522 1.00 0.00 CL HETATM 1463 CM1 49H A 200 -3.443 17.605 -17.654 1.00 0.00 C HETATM 1464 CM2 49H A 200 2.123 16.473 -15.279 1.00 0.00 C HETATM 1465 CM3 49H A 200 2.226 17.833 -13.145 1.00 0.00 C HETATM 1466 C1 49H A 200 -2.526 19.293 -10.480 1.00 0.00 C HETATM 1467 N1 49H A 200 -3.733 18.716 -10.504 1.00 0.00 N HETATM 1468 O1 49H A 200 -2.475 20.499 -10.333 1.00 0.00 O HETATM 1469 C2 49H A 200 -3.940 17.277 -10.654 1.00 0.00 C HETATM 1470 N2 49H A 200 -1.453 16.981 -11.051 1.00 0.00 N HETATM 1471 C3 49H A 200 -2.825 16.603 -11.473 1.00 0.00 C HETATM 1472 N3 49H A 200 -0.431 14.911 -11.545 1.00 0.00 N HETATM 1473 O3 49H A 200 -2.515 16.496 -17.641 1.00 0.00 O HETATM 1474 C4 49H A 200 -1.288 18.409 -10.631 1.00 0.00 C HETATM 1475 C5 49H A 200 -0.382 16.135 -10.973 1.00 0.00 C HETATM 1476 O5 49H A 200 0.605 16.465 -10.337 1.00 0.00 O HETATM 1477 C6 49H A 200 -1.244 14.321 -12.550 1.00 0.00 C HETATM 1478 O6 49H A 200 0.232 16.611 -13.711 1.00 0.00 O HETATM 1479 C7 49H A 200 -0.957 12.689 -11.019 1.00 0.00 C HETATM 1480 C8 49H A 200 0.133 13.777 -10.802 1.00 0.00 C HETATM 1481 C9 49H A 200 1.325 17.362 -14.300 1.00 0.00 C