USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 601 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 63 LYS NZ :NH3+ 135:sc= -0.103 (180deg=-1.95) USER MOD Set 1.2: A 66 GLN : amide:sc= -1.37 K(o=-1.8,f=-8.5!) USER MOD Set 1.3: A 67 GLN : amide:sc= 0.0102 K(o=-1.8,f=-14!) USER MOD Set 1.4: A 70 GLN : amide:sc= 0.347 K(o=-1.8,f=-13!) USER MOD Set 1.5: A 73 TYR OH : rot -39:sc= -0.651 USER MOD Set 2.1: A 37 CYS SG : rot -31:sc= -1.33! USER MOD Set 2.2: A 40 CYS SG : rot -152:sc= -1.58! USER MOD Set 3.1: A 35 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 36 HIS : no HE2:sc= -4.81! C(o=-4.8!,f=-7.4!) USER MOD Set 3.3: A 38 GLN : amide:sc= 0 K(o=-4.8,f=-7.4) USER MOD Single : A 1 LEU N :NH3+ -121:sc= 0.4 (180deg=0.0387) USER MOD Single : A 9 THR OG1 : rot -144:sc= -2.66! USER MOD Single : A 13 ASN : amide:sc= 1.02 K(o=1,f=-0.34) USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 16 LYS NZ :NH3+ -115:sc= 0.204 (180deg=-3.13!) USER MOD Single : A 17 SER OG : rot -36:sc= 0.252 USER MOD Single : A 18 SER OG : rot 69:sc= 0.242 USER MOD Single : A 24 GLN : amide:sc= -0.574 K(o=-0.57,f=-5.2!) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 THR OG1 : rot -38:sc= 0.176 USER MOD Single : A 29 GLN : amide:sc= 0.885 K(o=0.88,f=-7.4!) USER MOD Single : A 34 ASN : amide:sc= -1.12 K(o=-1.1,f=-6.4!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -54:sc=0.000432 USER MOD Single : A 56 LYS NZ :NH3+ 162:sc= 0.626 (180deg=-0.325) USER MOD Single : A 57 LYS NZ :NH3+ 159:sc= 3.32 (180deg=1.77) USER MOD Single : A 58 ASN : amide:sc= 0.472 K(o=0.47,f=-6.5!) USER MOD Single : A 59 LYS NZ :NH3+ -170:sc= 0.819 (180deg=0.396) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= -0.0618 K(o=-0.062,f=-0.59) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 57.482 -22.688 -4.033 1.00 0.00 N ATOM 2 CA LEU A 1 57.500 -23.258 -2.644 1.00 0.00 C ATOM 3 C LEU A 1 57.157 -22.135 -1.648 1.00 0.00 C ATOM 4 O LEU A 1 58.018 -21.386 -1.210 1.00 0.00 O ATOM 5 CB LEU A 1 58.889 -23.860 -2.338 1.00 0.00 C ATOM 6 CG LEU A 1 58.745 -25.029 -1.352 1.00 0.00 C ATOM 7 CD1 LEU A 1 58.461 -26.321 -2.118 1.00 0.00 C ATOM 8 CD2 LEU A 1 60.043 -25.197 -0.561 1.00 0.00 C ATOM 0 H1 LEU A 1 56.783 -23.199 -4.609 1.00 0.00 H new ATOM 0 H2 LEU A 1 57.227 -21.681 -3.992 1.00 0.00 H new ATOM 0 H3 LEU A 1 58.424 -22.789 -4.462 1.00 0.00 H new ATOM 0 HA LEU A 1 56.763 -24.056 -2.555 1.00 0.00 H new ATOM 0 HB2 LEU A 1 59.357 -24.206 -3.260 1.00 0.00 H new ATOM 0 HB3 LEU A 1 59.542 -23.096 -1.917 1.00 0.00 H new ATOM 0 HG LEU A 1 57.921 -24.818 -0.671 1.00 0.00 H new ATOM 0 HD11 LEU A 1 58.360 -27.147 -1.414 1.00 0.00 H new ATOM 0 HD12 LEU A 1 57.536 -26.212 -2.685 1.00 0.00 H new ATOM 0 HD13 LEU A 1 59.284 -26.527 -2.802 1.00 0.00 H new ATOM 0 HD21 LEU A 1 59.938 -26.027 0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 1 60.864 -25.402 -1.248 1.00 0.00 H new ATOM 0 HD23 LEU A 1 60.253 -24.281 -0.008 1.00 0.00 H new ATOM 22 N GLU A 2 55.888 -21.990 -1.343 1.00 0.00 N ATOM 23 CA GLU A 2 55.422 -20.891 -0.440 1.00 0.00 C ATOM 24 C GLU A 2 55.170 -21.449 0.976 1.00 0.00 C ATOM 25 O GLU A 2 54.060 -21.825 1.331 1.00 0.00 O ATOM 26 CB GLU A 2 54.140 -20.278 -1.050 1.00 0.00 C ATOM 27 CG GLU A 2 54.486 -19.395 -2.285 1.00 0.00 C ATOM 28 CD GLU A 2 55.213 -20.200 -3.386 1.00 0.00 C ATOM 29 OE1 GLU A 2 54.634 -21.142 -3.909 1.00 0.00 O ATOM 30 OE2 GLU A 2 56.355 -19.882 -3.668 1.00 0.00 O ATOM 0 H GLU A 2 55.145 -22.597 -1.688 1.00 0.00 H new ATOM 0 HA GLU A 2 56.180 -20.113 -0.351 1.00 0.00 H new ATOM 0 HB2 GLU A 2 53.456 -21.073 -1.346 1.00 0.00 H new ATOM 0 HB3 GLU A 2 53.626 -19.677 -0.300 1.00 0.00 H new ATOM 0 HG2 GLU A 2 53.570 -18.968 -2.693 1.00 0.00 H new ATOM 0 HG3 GLU A 2 55.114 -18.562 -1.970 1.00 0.00 H new ATOM 37 N ASP A 3 56.215 -21.517 1.778 1.00 0.00 N ATOM 38 CA ASP A 3 56.090 -22.055 3.176 1.00 0.00 C ATOM 39 C ASP A 3 55.831 -20.934 4.209 1.00 0.00 C ATOM 40 O ASP A 3 55.282 -21.179 5.272 1.00 0.00 O ATOM 41 CB ASP A 3 57.375 -22.824 3.530 1.00 0.00 C ATOM 42 CG ASP A 3 57.148 -23.667 4.781 1.00 0.00 C ATOM 43 OD1 ASP A 3 56.557 -24.724 4.662 1.00 0.00 O ATOM 44 OD2 ASP A 3 57.553 -23.230 5.842 1.00 0.00 O ATOM 0 H ASP A 3 57.156 -21.220 1.520 1.00 0.00 H new ATOM 0 HA ASP A 3 55.230 -22.723 3.213 1.00 0.00 H new ATOM 0 HB2 ASP A 3 57.667 -23.464 2.698 1.00 0.00 H new ATOM 0 HB3 ASP A 3 58.194 -22.124 3.696 1.00 0.00 H new ATOM 49 N ARG A 4 56.219 -19.724 3.902 1.00 0.00 N ATOM 50 CA ARG A 4 56.015 -18.570 4.846 1.00 0.00 C ATOM 51 C ARG A 4 54.552 -18.074 4.756 1.00 0.00 C ATOM 52 O ARG A 4 54.235 -17.145 4.031 1.00 0.00 O ATOM 53 CB ARG A 4 57.008 -17.421 4.519 1.00 0.00 C ATOM 54 CG ARG A 4 58.412 -17.953 4.153 1.00 0.00 C ATOM 55 CD ARG A 4 58.939 -18.895 5.244 1.00 0.00 C ATOM 56 NE ARG A 4 59.551 -20.107 4.606 1.00 0.00 N ATOM 57 CZ ARG A 4 60.431 -20.812 5.247 1.00 0.00 C ATOM 58 NH1 ARG A 4 61.681 -20.462 5.219 1.00 0.00 N ATOM 59 NH2 ARG A 4 60.056 -21.863 5.906 1.00 0.00 N ATOM 0 H ARG A 4 56.676 -19.477 3.025 1.00 0.00 H new ATOM 0 HA ARG A 4 56.209 -18.904 5.865 1.00 0.00 H new ATOM 0 HB2 ARG A 4 56.618 -16.830 3.691 1.00 0.00 H new ATOM 0 HB3 ARG A 4 57.086 -16.754 5.378 1.00 0.00 H new ATOM 0 HG2 ARG A 4 58.369 -18.481 3.200 1.00 0.00 H new ATOM 0 HG3 ARG A 4 59.100 -17.118 4.024 1.00 0.00 H new ATOM 0 HD2 ARG A 4 59.679 -18.381 5.857 1.00 0.00 H new ATOM 0 HD3 ARG A 4 58.126 -19.191 5.907 1.00 0.00 H new ATOM 0 HE ARG A 4 59.273 -20.378 3.663 1.00 0.00 H new ATOM 0 HH11 ARG A 4 61.968 -19.636 4.694 1.00 0.00 H new ATOM 0 HH12 ARG A 4 62.376 -21.013 5.722 1.00 0.00 H new ATOM 0 HH21 ARG A 4 59.072 -22.133 5.919 1.00 0.00 H new ATOM 0 HH22 ARG A 4 60.744 -22.421 6.412 1.00 0.00 H new ATOM 73 N ARG A 5 53.663 -18.714 5.496 1.00 0.00 N ATOM 74 CA ARG A 5 52.199 -18.334 5.494 1.00 0.00 C ATOM 75 C ARG A 5 51.935 -17.020 6.292 1.00 0.00 C ATOM 76 O ARG A 5 50.837 -16.494 6.235 1.00 0.00 O ATOM 77 CB ARG A 5 51.376 -19.480 6.122 1.00 0.00 C ATOM 78 CG ARG A 5 51.739 -20.833 5.476 1.00 0.00 C ATOM 79 CD ARG A 5 52.363 -21.757 6.528 1.00 0.00 C ATOM 80 NE ARG A 5 52.376 -23.165 6.013 1.00 0.00 N ATOM 81 CZ ARG A 5 53.493 -23.735 5.667 1.00 0.00 C ATOM 82 NH1 ARG A 5 54.377 -24.035 6.568 1.00 0.00 N ATOM 83 NH2 ARG A 5 53.716 -24.005 4.421 1.00 0.00 N ATOM 0 H ARG A 5 53.893 -19.495 6.110 1.00 0.00 H new ATOM 0 HA ARG A 5 51.900 -18.164 4.460 1.00 0.00 H new ATOM 0 HB2 ARG A 5 51.563 -19.522 7.195 1.00 0.00 H new ATOM 0 HB3 ARG A 5 50.312 -19.283 5.991 1.00 0.00 H new ATOM 0 HG2 ARG A 5 50.847 -21.296 5.054 1.00 0.00 H new ATOM 0 HG3 ARG A 5 52.437 -20.679 4.654 1.00 0.00 H new ATOM 0 HD2 ARG A 5 53.378 -21.433 6.756 1.00 0.00 H new ATOM 0 HD3 ARG A 5 51.795 -21.704 7.457 1.00 0.00 H new ATOM 0 HE ARG A 5 51.500 -23.681 5.933 1.00 0.00 H new ATOM 0 HH11 ARG A 5 54.197 -23.824 7.550 1.00 0.00 H new ATOM 0 HH12 ARG A 5 55.252 -24.482 6.295 1.00 0.00 H new ATOM 0 HH21 ARG A 5 53.018 -23.771 3.716 1.00 0.00 H new ATOM 0 HH22 ARG A 5 54.590 -24.452 4.145 1.00 0.00 H new ATOM 97 N ILE A 6 52.934 -16.494 7.022 1.00 0.00 N ATOM 98 CA ILE A 6 52.801 -15.231 7.839 1.00 0.00 C ATOM 99 C ILE A 6 51.889 -15.516 9.078 1.00 0.00 C ATOM 100 O ILE A 6 50.840 -16.115 8.936 1.00 0.00 O ATOM 101 CB ILE A 6 52.249 -14.034 7.005 1.00 0.00 C ATOM 102 CG1 ILE A 6 52.657 -14.109 5.514 1.00 0.00 C ATOM 103 CG2 ILE A 6 52.812 -12.721 7.553 1.00 0.00 C ATOM 104 CD1 ILE A 6 51.674 -13.285 4.676 1.00 0.00 C ATOM 0 H ILE A 6 53.861 -16.915 7.076 1.00 0.00 H new ATOM 0 HA ILE A 6 53.796 -14.936 8.172 1.00 0.00 H new ATOM 0 HB ILE A 6 51.163 -14.081 7.083 1.00 0.00 H new ATOM 0 HG12 ILE A 6 53.670 -13.730 5.383 1.00 0.00 H new ATOM 0 HG13 ILE A 6 52.659 -15.146 5.178 1.00 0.00 H new ATOM 0 HG21 ILE A 6 52.424 -11.887 6.968 1.00 0.00 H new ATOM 0 HG22 ILE A 6 52.513 -12.604 8.595 1.00 0.00 H new ATOM 0 HG23 ILE A 6 53.900 -12.736 7.487 1.00 0.00 H new ATOM 0 HD11 ILE A 6 51.960 -13.336 3.625 1.00 0.00 H new ATOM 0 HD12 ILE A 6 50.667 -13.685 4.798 1.00 0.00 H new ATOM 0 HD13 ILE A 6 51.695 -12.247 5.007 1.00 0.00 H new ATOM 116 N PRO A 7 52.332 -15.102 10.272 1.00 0.00 N ATOM 117 CA PRO A 7 51.586 -15.325 11.532 1.00 0.00 C ATOM 118 C PRO A 7 50.305 -14.443 11.629 1.00 0.00 C ATOM 119 O PRO A 7 49.767 -14.071 10.605 1.00 0.00 O ATOM 120 CB PRO A 7 52.616 -15.040 12.626 1.00 0.00 C ATOM 121 CG PRO A 7 53.686 -14.172 11.981 1.00 0.00 C ATOM 122 CD PRO A 7 53.590 -14.386 10.468 1.00 0.00 C ATOM 0 HA PRO A 7 51.188 -16.337 11.614 1.00 0.00 H new ATOM 0 HB2 PRO A 7 52.156 -14.528 13.471 1.00 0.00 H new ATOM 0 HB3 PRO A 7 53.044 -15.966 13.009 1.00 0.00 H new ATOM 0 HG2 PRO A 7 53.533 -13.122 12.232 1.00 0.00 H new ATOM 0 HG3 PRO A 7 54.676 -14.446 12.346 1.00 0.00 H new ATOM 0 HD2 PRO A 7 53.592 -13.436 9.933 1.00 0.00 H new ATOM 0 HD3 PRO A 7 54.436 -14.963 10.096 1.00 0.00 H new ATOM 130 N GLY A 8 49.825 -14.124 12.855 1.00 0.00 N ATOM 131 CA GLY A 8 48.575 -13.276 13.098 1.00 0.00 C ATOM 132 C GLY A 8 48.306 -12.305 11.946 1.00 0.00 C ATOM 133 O GLY A 8 47.227 -12.257 11.441 1.00 0.00 O ATOM 0 H GLY A 8 50.273 -14.434 13.717 1.00 0.00 H new ATOM 0 HA2 GLY A 8 47.713 -13.930 13.229 1.00 0.00 H new ATOM 0 HA3 GLY A 8 48.693 -12.715 14.025 1.00 0.00 H new ATOM 137 N THR A 9 49.323 -11.583 11.530 1.00 0.00 N ATOM 138 CA THR A 9 49.274 -10.614 10.368 1.00 0.00 C ATOM 139 C THR A 9 48.394 -11.119 9.201 1.00 0.00 C ATOM 140 O THR A 9 47.645 -10.357 8.654 1.00 0.00 O ATOM 141 CB THR A 9 50.712 -10.414 9.839 1.00 0.00 C ATOM 142 OG1 THR A 9 51.477 -11.612 9.982 1.00 0.00 O ATOM 143 CG2 THR A 9 51.398 -9.338 10.651 1.00 0.00 C ATOM 0 H THR A 9 50.241 -11.626 11.973 1.00 0.00 H new ATOM 0 HA THR A 9 48.837 -9.685 10.734 1.00 0.00 H new ATOM 0 HB THR A 9 50.649 -10.138 8.786 1.00 0.00 H new ATOM 0 HG1 THR A 9 52.404 -11.384 10.204 1.00 0.00 H new ATOM 0 HG21 THR A 9 52.413 -9.194 10.281 1.00 0.00 H new ATOM 0 HG22 THR A 9 50.843 -8.404 10.560 1.00 0.00 H new ATOM 0 HG23 THR A 9 51.433 -9.639 11.698 1.00 0.00 H new ATOM 151 N ALA A 10 48.463 -12.387 8.839 1.00 0.00 N ATOM 152 CA ALA A 10 47.601 -12.933 7.717 1.00 0.00 C ATOM 153 C ALA A 10 46.145 -13.034 8.211 1.00 0.00 C ATOM 154 O ALA A 10 45.239 -12.523 7.573 1.00 0.00 O ATOM 155 CB ALA A 10 48.133 -14.298 7.313 1.00 0.00 C ATOM 0 H ALA A 10 49.081 -13.073 9.272 1.00 0.00 H new ATOM 0 HA ALA A 10 47.630 -12.274 6.849 1.00 0.00 H new ATOM 0 HB1 ALA A 10 47.522 -14.703 6.506 1.00 0.00 H new ATOM 0 HB2 ALA A 10 49.164 -14.201 6.973 1.00 0.00 H new ATOM 0 HB3 ALA A 10 48.095 -14.971 8.169 1.00 0.00 H new ATOM 161 N GLU A 11 45.934 -13.608 9.380 1.00 0.00 N ATOM 162 CA GLU A 11 44.549 -13.649 10.000 1.00 0.00 C ATOM 163 C GLU A 11 44.083 -12.173 10.159 1.00 0.00 C ATOM 164 O GLU A 11 42.952 -11.822 9.877 1.00 0.00 O ATOM 165 CB GLU A 11 44.621 -14.311 11.392 1.00 0.00 C ATOM 166 CG GLU A 11 45.084 -15.775 11.271 1.00 0.00 C ATOM 167 CD GLU A 11 46.556 -15.893 11.685 1.00 0.00 C ATOM 168 OE1 GLU A 11 47.403 -15.737 10.826 1.00 0.00 O ATOM 169 OE2 GLU A 11 46.808 -16.130 12.854 1.00 0.00 O ATOM 0 H GLU A 11 46.662 -14.054 9.938 1.00 0.00 H new ATOM 0 HA GLU A 11 43.860 -14.220 9.378 1.00 0.00 H new ATOM 0 HB2 GLU A 11 45.310 -13.757 12.029 1.00 0.00 H new ATOM 0 HB3 GLU A 11 43.643 -14.271 11.871 1.00 0.00 H new ATOM 0 HG2 GLU A 11 44.467 -16.414 11.903 1.00 0.00 H new ATOM 0 HG3 GLU A 11 44.957 -16.122 10.246 1.00 0.00 H new ATOM 176 N GLU A 12 45.019 -11.316 10.543 1.00 0.00 N ATOM 177 CA GLU A 12 44.825 -9.851 10.690 1.00 0.00 C ATOM 178 C GLU A 12 44.443 -9.263 9.296 1.00 0.00 C ATOM 179 O GLU A 12 43.558 -8.446 9.179 1.00 0.00 O ATOM 180 CB GLU A 12 46.193 -9.322 11.218 1.00 0.00 C ATOM 181 CG GLU A 12 46.511 -7.916 10.709 1.00 0.00 C ATOM 182 CD GLU A 12 45.564 -6.873 11.318 1.00 0.00 C ATOM 183 OE1 GLU A 12 45.407 -6.866 12.528 1.00 0.00 O ATOM 184 OE2 GLU A 12 45.016 -6.094 10.564 1.00 0.00 O ATOM 0 H GLU A 12 45.968 -11.614 10.771 1.00 0.00 H new ATOM 0 HA GLU A 12 44.025 -9.568 11.375 1.00 0.00 H new ATOM 0 HB2 GLU A 12 46.181 -9.317 12.308 1.00 0.00 H new ATOM 0 HB3 GLU A 12 46.986 -10.004 10.911 1.00 0.00 H new ATOM 0 HG2 GLU A 12 47.542 -7.662 10.956 1.00 0.00 H new ATOM 0 HG3 GLU A 12 46.429 -7.894 9.622 1.00 0.00 H new ATOM 191 N ASN A 13 45.093 -9.720 8.244 1.00 0.00 N ATOM 192 CA ASN A 13 44.784 -9.257 6.839 1.00 0.00 C ATOM 193 C ASN A 13 43.314 -9.541 6.478 1.00 0.00 C ATOM 194 O ASN A 13 42.695 -8.802 5.730 1.00 0.00 O ATOM 195 CB ASN A 13 45.710 -10.009 5.862 1.00 0.00 C ATOM 196 CG ASN A 13 46.954 -9.196 5.550 1.00 0.00 C ATOM 197 OD1 ASN A 13 47.216 -8.869 4.418 1.00 0.00 O ATOM 198 ND2 ASN A 13 47.738 -8.857 6.514 1.00 0.00 N ATOM 0 H ASN A 13 45.842 -10.410 8.299 1.00 0.00 H new ATOM 0 HA ASN A 13 44.948 -8.182 6.771 1.00 0.00 H new ATOM 0 HB2 ASN A 13 45.998 -10.968 6.294 1.00 0.00 H new ATOM 0 HB3 ASN A 13 45.172 -10.224 4.939 1.00 0.00 H new ATOM 0 HD21 ASN A 13 48.579 -8.313 6.320 1.00 0.00 H new ATOM 0 HD22 ASN A 13 47.518 -9.132 7.471 1.00 0.00 H new ATOM 205 N LEU A 14 42.770 -10.598 7.016 1.00 0.00 N ATOM 206 CA LEU A 14 41.343 -10.982 6.754 1.00 0.00 C ATOM 207 C LEU A 14 40.392 -10.346 7.798 1.00 0.00 C ATOM 208 O LEU A 14 39.424 -9.700 7.438 1.00 0.00 O ATOM 209 CB LEU A 14 41.224 -12.500 6.806 1.00 0.00 C ATOM 210 CG LEU A 14 41.465 -13.035 5.398 1.00 0.00 C ATOM 211 CD1 LEU A 14 42.843 -13.673 5.325 1.00 0.00 C ATOM 212 CD2 LEU A 14 40.397 -14.061 5.058 1.00 0.00 C ATOM 0 H LEU A 14 43.265 -11.232 7.644 1.00 0.00 H new ATOM 0 HA LEU A 14 41.054 -10.614 5.769 1.00 0.00 H new ATOM 0 HB2 LEU A 14 41.952 -12.917 7.503 1.00 0.00 H new ATOM 0 HB3 LEU A 14 40.237 -12.794 7.163 1.00 0.00 H new ATOM 0 HG LEU A 14 41.415 -12.216 4.681 1.00 0.00 H new ATOM 0 HD11 LEU A 14 43.014 -14.055 4.319 1.00 0.00 H new ATOM 0 HD12 LEU A 14 43.602 -12.928 5.564 1.00 0.00 H new ATOM 0 HD13 LEU A 14 42.902 -14.494 6.040 1.00 0.00 H new ATOM 0 HD21 LEU A 14 40.568 -14.444 4.052 1.00 0.00 H new ATOM 0 HD22 LEU A 14 40.442 -14.883 5.772 1.00 0.00 H new ATOM 0 HD23 LEU A 14 39.414 -13.592 5.106 1.00 0.00 H new ATOM 224 N GLN A 15 40.660 -10.541 9.079 1.00 0.00 N ATOM 225 CA GLN A 15 39.773 -9.986 10.174 1.00 0.00 C ATOM 226 C GLN A 15 40.072 -8.500 10.479 1.00 0.00 C ATOM 227 O GLN A 15 39.156 -7.732 10.696 1.00 0.00 O ATOM 228 CB GLN A 15 39.984 -10.806 11.459 1.00 0.00 C ATOM 229 CG GLN A 15 39.406 -12.224 11.286 1.00 0.00 C ATOM 230 CD GLN A 15 40.540 -13.258 11.305 1.00 0.00 C ATOM 231 OE1 GLN A 15 41.141 -13.495 12.327 1.00 0.00 O ATOM 232 NE2 GLN A 15 40.861 -13.889 10.215 1.00 0.00 N ATOM 0 H GLN A 15 41.465 -11.068 9.417 1.00 0.00 H new ATOM 0 HA GLN A 15 38.742 -10.056 9.826 1.00 0.00 H new ATOM 0 HB2 GLN A 15 41.047 -10.865 11.691 1.00 0.00 H new ATOM 0 HB3 GLN A 15 39.501 -10.309 12.300 1.00 0.00 H new ATOM 0 HG2 GLN A 15 38.696 -12.436 12.085 1.00 0.00 H new ATOM 0 HG3 GLN A 15 38.858 -12.290 10.346 1.00 0.00 H new ATOM 0 HE21 GLN A 15 40.360 -13.696 9.348 1.00 0.00 H new ATOM 0 HE22 GLN A 15 41.614 -14.577 10.227 1.00 0.00 H new ATOM 241 N LYS A 16 41.341 -8.108 10.517 1.00 0.00 N ATOM 242 CA LYS A 16 41.751 -6.684 10.833 1.00 0.00 C ATOM 243 C LYS A 16 41.551 -6.418 12.343 1.00 0.00 C ATOM 244 O LYS A 16 40.534 -5.902 12.778 1.00 0.00 O ATOM 245 CB LYS A 16 40.972 -5.667 9.966 1.00 0.00 C ATOM 246 CG LYS A 16 41.952 -4.714 9.254 1.00 0.00 C ATOM 247 CD LYS A 16 42.631 -5.421 8.064 1.00 0.00 C ATOM 248 CE LYS A 16 41.591 -5.802 6.993 1.00 0.00 C ATOM 249 NZ LYS A 16 41.104 -7.206 7.213 1.00 0.00 N ATOM 0 H LYS A 16 42.127 -8.733 10.337 1.00 0.00 H new ATOM 0 HA LYS A 16 42.806 -6.555 10.591 1.00 0.00 H new ATOM 0 HB2 LYS A 16 40.366 -6.195 9.229 1.00 0.00 H new ATOM 0 HB3 LYS A 16 40.286 -5.095 10.591 1.00 0.00 H new ATOM 0 HG2 LYS A 16 41.418 -3.831 8.903 1.00 0.00 H new ATOM 0 HG3 LYS A 16 42.709 -4.369 9.959 1.00 0.00 H new ATOM 0 HD2 LYS A 16 43.386 -4.767 7.628 1.00 0.00 H new ATOM 0 HD3 LYS A 16 43.147 -6.316 8.412 1.00 0.00 H new ATOM 0 HE2 LYS A 16 40.751 -5.109 7.030 1.00 0.00 H new ATOM 0 HE3 LYS A 16 42.033 -5.715 6.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 41.393 -7.803 6.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 41.514 -7.582 8.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 40.067 -7.206 7.288 1.00 0.00 H new ATOM 263 N SER A 17 42.529 -6.803 13.136 1.00 0.00 N ATOM 264 CA SER A 17 42.463 -6.629 14.631 1.00 0.00 C ATOM 265 C SER A 17 43.325 -5.433 15.121 1.00 0.00 C ATOM 266 O SER A 17 43.129 -4.957 16.227 1.00 0.00 O ATOM 267 CB SER A 17 42.956 -7.930 15.293 1.00 0.00 C ATOM 268 OG SER A 17 44.385 -8.038 15.213 1.00 0.00 O ATOM 0 H SER A 17 43.389 -7.240 12.804 1.00 0.00 H new ATOM 0 HA SER A 17 41.431 -6.415 14.909 1.00 0.00 H new ATOM 0 HB2 SER A 17 42.644 -7.952 16.337 1.00 0.00 H new ATOM 0 HB3 SER A 17 42.495 -8.788 14.804 1.00 0.00 H new ATOM 0 HG SER A 17 44.694 -7.666 14.361 1.00 0.00 H new ATOM 274 N SER A 18 44.281 -4.969 14.324 1.00 0.00 N ATOM 275 CA SER A 18 45.183 -3.827 14.733 1.00 0.00 C ATOM 276 C SER A 18 44.364 -2.559 15.065 1.00 0.00 C ATOM 277 O SER A 18 43.806 -1.918 14.186 1.00 0.00 O ATOM 278 CB SER A 18 46.168 -3.527 13.593 1.00 0.00 C ATOM 279 OG SER A 18 47.164 -4.545 13.551 1.00 0.00 O ATOM 0 H SER A 18 44.474 -5.342 13.394 1.00 0.00 H new ATOM 0 HA SER A 18 45.729 -4.120 15.630 1.00 0.00 H new ATOM 0 HB2 SER A 18 45.638 -3.481 12.642 1.00 0.00 H new ATOM 0 HB3 SER A 18 46.633 -2.553 13.746 1.00 0.00 H new ATOM 0 HG SER A 18 46.760 -5.386 13.253 1.00 0.00 H new ATOM 285 N GLY A 19 44.290 -2.205 16.338 1.00 0.00 N ATOM 286 CA GLY A 19 43.512 -0.991 16.775 1.00 0.00 C ATOM 287 C GLY A 19 44.333 0.287 16.542 1.00 0.00 C ATOM 288 O GLY A 19 45.129 0.676 17.379 1.00 0.00 O ATOM 0 H GLY A 19 44.742 -2.713 17.098 1.00 0.00 H new ATOM 0 HA2 GLY A 19 42.575 -0.934 16.222 1.00 0.00 H new ATOM 0 HA3 GLY A 19 43.254 -1.077 17.831 1.00 0.00 H new ATOM 292 N GLY A 20 44.131 0.942 15.411 1.00 0.00 N ATOM 293 CA GLY A 20 44.880 2.210 15.096 1.00 0.00 C ATOM 294 C GLY A 20 44.235 3.391 15.836 1.00 0.00 C ATOM 295 O GLY A 20 43.191 3.878 15.436 1.00 0.00 O ATOM 0 H GLY A 20 43.473 0.648 14.689 1.00 0.00 H new ATOM 0 HA2 GLY A 20 45.924 2.110 15.392 1.00 0.00 H new ATOM 0 HA3 GLY A 20 44.869 2.392 14.021 1.00 0.00 H new ATOM 299 N VAL A 21 44.847 3.841 16.915 1.00 0.00 N ATOM 300 CA VAL A 21 44.276 4.993 17.708 1.00 0.00 C ATOM 301 C VAL A 21 44.496 6.332 16.971 1.00 0.00 C ATOM 302 O VAL A 21 45.572 6.567 16.439 1.00 0.00 O ATOM 303 CB VAL A 21 44.916 5.083 19.111 1.00 0.00 C ATOM 304 CG1 VAL A 21 44.512 3.874 19.941 1.00 0.00 C ATOM 305 CG2 VAL A 21 46.445 5.132 19.023 1.00 0.00 C ATOM 0 H VAL A 21 45.719 3.460 17.282 1.00 0.00 H new ATOM 0 HA VAL A 21 43.207 4.807 17.815 1.00 0.00 H new ATOM 0 HB VAL A 21 44.561 6.000 19.580 1.00 0.00 H new ATOM 0 HG11 VAL A 21 44.966 3.943 20.929 1.00 0.00 H new ATOM 0 HG12 VAL A 21 43.427 3.848 20.041 1.00 0.00 H new ATOM 0 HG13 VAL A 21 44.853 2.964 19.448 1.00 0.00 H new ATOM 0 HG21 VAL A 21 46.865 5.195 20.027 1.00 0.00 H new ATOM 0 HG22 VAL A 21 46.810 4.230 18.533 1.00 0.00 H new ATOM 0 HG23 VAL A 21 46.748 6.006 18.447 1.00 0.00 H new ATOM 315 N PRO A 22 43.481 7.194 16.977 1.00 0.00 N ATOM 316 CA PRO A 22 43.578 8.522 16.339 1.00 0.00 C ATOM 317 C PRO A 22 44.312 9.509 17.267 1.00 0.00 C ATOM 318 O PRO A 22 43.734 10.398 17.882 1.00 0.00 O ATOM 319 CB PRO A 22 42.142 8.926 16.117 1.00 0.00 C ATOM 320 CG PRO A 22 41.289 8.118 17.128 1.00 0.00 C ATOM 321 CD PRO A 22 42.156 6.931 17.589 1.00 0.00 C ATOM 0 HA PRO A 22 44.146 8.513 15.409 1.00 0.00 H new ATOM 0 HB2 PRO A 22 42.013 9.997 16.272 1.00 0.00 H new ATOM 0 HB3 PRO A 22 41.834 8.712 15.093 1.00 0.00 H new ATOM 0 HG2 PRO A 22 41.002 8.740 17.976 1.00 0.00 H new ATOM 0 HG3 PRO A 22 40.368 7.767 16.663 1.00 0.00 H new ATOM 0 HD2 PRO A 22 42.221 6.883 18.676 1.00 0.00 H new ATOM 0 HD3 PRO A 22 41.743 5.980 17.252 1.00 0.00 H new ATOM 329 N GLY A 23 45.594 9.330 17.352 1.00 0.00 N ATOM 330 CA GLY A 23 46.470 10.201 18.220 1.00 0.00 C ATOM 331 C GLY A 23 47.051 11.396 17.434 1.00 0.00 C ATOM 332 O GLY A 23 48.133 11.858 17.742 1.00 0.00 O ATOM 0 H GLY A 23 46.098 8.601 16.848 1.00 0.00 H new ATOM 0 HA2 GLY A 23 45.891 10.570 19.066 1.00 0.00 H new ATOM 0 HA3 GLY A 23 47.285 9.604 18.628 1.00 0.00 H new ATOM 336 N GLN A 24 46.337 11.916 16.445 1.00 0.00 N ATOM 337 CA GLN A 24 46.845 13.099 15.646 1.00 0.00 C ATOM 338 C GLN A 24 46.720 14.432 16.426 1.00 0.00 C ATOM 339 O GLN A 24 47.207 15.457 15.982 1.00 0.00 O ATOM 340 CB GLN A 24 46.047 13.208 14.334 1.00 0.00 C ATOM 341 CG GLN A 24 46.429 12.066 13.377 1.00 0.00 C ATOM 342 CD GLN A 24 45.386 10.943 13.449 1.00 0.00 C ATOM 343 OE1 GLN A 24 45.412 10.137 14.349 1.00 0.00 O ATOM 344 NE2 GLN A 24 44.464 10.852 12.538 1.00 0.00 N ATOM 0 H GLN A 24 45.422 11.570 16.156 1.00 0.00 H new ATOM 0 HA GLN A 24 47.903 12.929 15.444 1.00 0.00 H new ATOM 0 HB2 GLN A 24 44.979 13.171 14.547 1.00 0.00 H new ATOM 0 HB3 GLN A 24 46.244 14.169 13.860 1.00 0.00 H new ATOM 0 HG2 GLN A 24 46.497 12.444 12.357 1.00 0.00 H new ATOM 0 HG3 GLN A 24 47.413 11.676 13.639 1.00 0.00 H new ATOM 0 HE21 GLN A 24 44.433 11.527 11.774 1.00 0.00 H new ATOM 0 HE22 GLN A 24 43.771 10.105 12.587 1.00 0.00 H new ATOM 353 N ASN A 25 46.083 14.420 17.573 1.00 0.00 N ATOM 354 CA ASN A 25 45.908 15.656 18.400 1.00 0.00 C ATOM 355 C ASN A 25 47.018 15.814 19.474 1.00 0.00 C ATOM 356 O ASN A 25 47.023 16.773 20.224 1.00 0.00 O ATOM 357 CB ASN A 25 44.552 15.533 19.083 1.00 0.00 C ATOM 358 CG ASN A 25 43.550 16.499 18.454 1.00 0.00 C ATOM 359 OD1 ASN A 25 43.098 17.420 19.090 1.00 0.00 O ATOM 360 ND2 ASN A 25 43.180 16.326 17.218 1.00 0.00 N ATOM 0 H ASN A 25 45.667 13.583 17.980 1.00 0.00 H new ATOM 0 HA ASN A 25 45.972 16.535 17.758 1.00 0.00 H new ATOM 0 HB2 ASN A 25 44.185 14.510 18.996 1.00 0.00 H new ATOM 0 HB3 ASN A 25 44.653 15.746 20.147 1.00 0.00 H new ATOM 0 HD21 ASN A 25 42.511 16.967 16.791 1.00 0.00 H new ATOM 0 HD22 ASN A 25 43.559 15.549 16.676 1.00 0.00 H new ATOM 367 N THR A 26 47.936 14.881 19.551 1.00 0.00 N ATOM 368 CA THR A 26 49.054 14.937 20.575 1.00 0.00 C ATOM 369 C THR A 26 50.166 15.966 20.222 1.00 0.00 C ATOM 370 O THR A 26 51.062 16.195 21.020 1.00 0.00 O ATOM 371 CB THR A 26 49.658 13.522 20.734 1.00 0.00 C ATOM 372 OG1 THR A 26 50.453 13.459 21.914 1.00 0.00 O ATOM 373 CG2 THR A 26 50.516 13.154 19.512 1.00 0.00 C ATOM 0 H THR A 26 47.967 14.064 18.941 1.00 0.00 H new ATOM 0 HA THR A 26 48.621 15.278 21.515 1.00 0.00 H new ATOM 0 HB THR A 26 48.838 12.808 20.812 1.00 0.00 H new ATOM 0 HG1 THR A 26 50.936 14.304 22.028 1.00 0.00 H new ATOM 0 HG21 THR A 26 50.930 12.155 19.646 1.00 0.00 H new ATOM 0 HG22 THR A 26 49.898 13.173 18.614 1.00 0.00 H new ATOM 0 HG23 THR A 26 51.329 13.873 19.408 1.00 0.00 H new ATOM 381 N GLY A 27 50.112 16.582 19.063 1.00 0.00 N ATOM 382 CA GLY A 27 51.161 17.596 18.672 1.00 0.00 C ATOM 383 C GLY A 27 51.302 17.671 17.145 1.00 0.00 C ATOM 384 O GLY A 27 51.104 18.720 16.557 1.00 0.00 O ATOM 0 H GLY A 27 49.385 16.429 18.364 1.00 0.00 H new ATOM 0 HA2 GLY A 27 50.891 18.576 19.066 1.00 0.00 H new ATOM 0 HA3 GLY A 27 52.118 17.326 19.118 1.00 0.00 H new ATOM 388 N GLY A 28 51.650 16.569 16.507 1.00 0.00 N ATOM 389 CA GLY A 28 51.818 16.549 15.006 1.00 0.00 C ATOM 390 C GLY A 28 53.307 16.516 14.594 1.00 0.00 C ATOM 391 O GLY A 28 53.632 16.841 13.463 1.00 0.00 O ATOM 0 H GLY A 28 51.826 15.675 16.965 1.00 0.00 H new ATOM 0 HA2 GLY A 28 51.308 15.678 14.595 1.00 0.00 H new ATOM 0 HA3 GLY A 28 51.341 17.430 14.575 1.00 0.00 H new ATOM 395 N GLN A 29 54.203 16.100 15.476 1.00 0.00 N ATOM 396 CA GLN A 29 55.666 16.004 15.128 1.00 0.00 C ATOM 397 C GLN A 29 56.163 14.584 15.501 1.00 0.00 C ATOM 398 O GLN A 29 57.228 14.395 16.072 1.00 0.00 O ATOM 399 CB GLN A 29 56.443 17.097 15.885 1.00 0.00 C ATOM 400 CG GLN A 29 56.472 18.384 15.040 1.00 0.00 C ATOM 401 CD GLN A 29 57.566 18.292 13.967 1.00 0.00 C ATOM 402 OE1 GLN A 29 57.282 18.002 12.824 1.00 0.00 O ATOM 403 NE2 GLN A 29 58.807 18.527 14.277 1.00 0.00 N ATOM 0 H GLN A 29 53.977 15.821 16.431 1.00 0.00 H new ATOM 0 HA GLN A 29 55.827 16.162 14.062 1.00 0.00 H new ATOM 0 HB2 GLN A 29 55.972 17.292 16.848 1.00 0.00 H new ATOM 0 HB3 GLN A 29 57.459 16.760 16.090 1.00 0.00 H new ATOM 0 HG2 GLN A 29 55.502 18.539 14.568 1.00 0.00 H new ATOM 0 HG3 GLN A 29 56.655 19.245 15.683 1.00 0.00 H new ATOM 0 HE21 GLN A 29 59.056 18.772 15.235 1.00 0.00 H new ATOM 0 HE22 GLN A 29 59.532 18.467 13.562 1.00 0.00 H new ATOM 412 N GLU A 30 55.360 13.595 15.166 1.00 0.00 N ATOM 413 CA GLU A 30 55.672 12.154 15.458 1.00 0.00 C ATOM 414 C GLU A 30 55.149 11.276 14.292 1.00 0.00 C ATOM 415 O GLU A 30 55.878 10.463 13.751 1.00 0.00 O ATOM 416 CB GLU A 30 55.053 11.744 16.830 1.00 0.00 C ATOM 417 CG GLU A 30 53.494 11.766 16.856 1.00 0.00 C ATOM 418 CD GLU A 30 52.931 13.183 16.642 1.00 0.00 C ATOM 419 OE1 GLU A 30 53.042 14.000 17.538 1.00 0.00 O ATOM 420 OE2 GLU A 30 52.401 13.426 15.569 1.00 0.00 O ATOM 0 H GLU A 30 54.471 13.734 14.686 1.00 0.00 H new ATOM 0 HA GLU A 30 56.749 12.006 15.534 1.00 0.00 H new ATOM 0 HB2 GLU A 30 55.396 10.742 17.086 1.00 0.00 H new ATOM 0 HB3 GLU A 30 55.428 12.416 17.601 1.00 0.00 H new ATOM 0 HG2 GLU A 30 53.110 11.103 16.081 1.00 0.00 H new ATOM 0 HG3 GLU A 30 53.142 11.377 17.812 1.00 0.00 H new ATOM 427 N ALA A 31 53.907 11.479 13.882 1.00 0.00 N ATOM 428 CA ALA A 31 53.312 10.728 12.728 1.00 0.00 C ATOM 429 C ALA A 31 53.685 11.448 11.422 1.00 0.00 C ATOM 430 O ALA A 31 54.092 10.837 10.449 1.00 0.00 O ATOM 431 CB ALA A 31 51.787 10.699 12.889 1.00 0.00 C ATOM 0 H ALA A 31 53.272 12.151 14.314 1.00 0.00 H new ATOM 0 HA ALA A 31 53.693 9.707 12.701 1.00 0.00 H new ATOM 0 HB1 ALA A 31 51.343 10.155 12.055 1.00 0.00 H new ATOM 0 HB2 ALA A 31 51.529 10.202 13.824 1.00 0.00 H new ATOM 0 HB3 ALA A 31 51.403 11.719 12.902 1.00 0.00 H new ATOM 437 N ARG A 32 53.537 12.748 11.435 1.00 0.00 N ATOM 438 CA ARG A 32 53.858 13.627 10.262 1.00 0.00 C ATOM 439 C ARG A 32 55.315 13.401 9.763 1.00 0.00 C ATOM 440 O ARG A 32 56.238 13.427 10.561 1.00 0.00 O ATOM 441 CB ARG A 32 53.710 15.087 10.716 1.00 0.00 C ATOM 442 CG ARG A 32 52.879 15.867 9.704 1.00 0.00 C ATOM 443 CD ARG A 32 53.801 16.497 8.646 1.00 0.00 C ATOM 444 NE ARG A 32 54.352 17.800 9.152 1.00 0.00 N ATOM 445 CZ ARG A 32 55.270 17.819 10.076 1.00 0.00 C ATOM 446 NH1 ARG A 32 56.487 17.477 9.792 1.00 0.00 N ATOM 447 NH2 ARG A 32 54.956 18.159 11.284 1.00 0.00 N ATOM 0 H ARG A 32 53.191 13.260 12.246 1.00 0.00 H new ATOM 0 HA ARG A 32 53.180 13.389 9.442 1.00 0.00 H new ATOM 0 HB2 ARG A 32 53.234 15.125 11.696 1.00 0.00 H new ATOM 0 HB3 ARG A 32 54.693 15.545 10.821 1.00 0.00 H new ATOM 0 HG2 ARG A 32 52.159 15.205 9.224 1.00 0.00 H new ATOM 0 HG3 ARG A 32 52.308 16.645 10.211 1.00 0.00 H new ATOM 0 HD2 ARG A 32 54.618 15.814 8.411 1.00 0.00 H new ATOM 0 HD3 ARG A 32 53.247 16.662 7.722 1.00 0.00 H new ATOM 0 HE ARG A 32 54.004 18.679 8.768 1.00 0.00 H new ATOM 0 HH11 ARG A 32 56.728 17.192 8.843 1.00 0.00 H new ATOM 0 HH12 ARG A 32 57.204 17.493 10.518 1.00 0.00 H new ATOM 0 HH21 ARG A 32 53.993 18.411 11.509 1.00 0.00 H new ATOM 0 HH22 ARG A 32 55.671 18.176 12.011 1.00 0.00 H new ATOM 461 N PRO A 33 55.481 13.209 8.453 1.00 0.00 N ATOM 462 CA PRO A 33 56.795 13.001 7.842 1.00 0.00 C ATOM 463 C PRO A 33 57.629 14.303 7.787 1.00 0.00 C ATOM 464 O PRO A 33 57.092 15.402 7.838 1.00 0.00 O ATOM 465 CB PRO A 33 56.473 12.470 6.449 1.00 0.00 C ATOM 466 CG PRO A 33 55.049 12.892 6.135 1.00 0.00 C ATOM 467 CD PRO A 33 54.390 13.181 7.473 1.00 0.00 C ATOM 0 HA PRO A 33 57.413 12.312 8.418 1.00 0.00 H new ATOM 0 HB2 PRO A 33 57.167 12.874 5.712 1.00 0.00 H new ATOM 0 HB3 PRO A 33 56.570 11.385 6.417 1.00 0.00 H new ATOM 0 HG2 PRO A 33 55.036 13.775 5.496 1.00 0.00 H new ATOM 0 HG3 PRO A 33 54.518 12.104 5.601 1.00 0.00 H new ATOM 0 HD2 PRO A 33 53.859 14.133 7.451 1.00 0.00 H new ATOM 0 HD3 PRO A 33 53.658 12.413 7.723 1.00 0.00 H new ATOM 475 N ASN A 34 58.946 14.166 7.688 1.00 0.00 N ATOM 476 CA ASN A 34 59.884 15.347 7.636 1.00 0.00 C ATOM 477 C ASN A 34 59.688 16.244 8.880 1.00 0.00 C ATOM 478 O ASN A 34 59.170 17.348 8.804 1.00 0.00 O ATOM 479 CB ASN A 34 59.668 16.138 6.330 1.00 0.00 C ATOM 480 CG ASN A 34 60.820 17.125 6.108 1.00 0.00 C ATOM 481 OD1 ASN A 34 61.839 17.064 6.769 1.00 0.00 O ATOM 482 ND2 ASN A 34 60.707 18.036 5.196 1.00 0.00 N ATOM 0 H ASN A 34 59.415 13.262 7.640 1.00 0.00 H new ATOM 0 HA ASN A 34 60.913 14.987 7.645 1.00 0.00 H new ATOM 0 HB2 ASN A 34 59.602 15.450 5.487 1.00 0.00 H new ATOM 0 HB3 ASN A 34 58.722 16.677 6.376 1.00 0.00 H new ATOM 0 HD21 ASN A 34 61.469 18.695 5.036 1.00 0.00 H new ATOM 0 HD22 ASN A 34 59.856 18.095 4.637 1.00 0.00 H new ATOM 489 N TYR A 35 60.091 15.746 10.028 1.00 0.00 N ATOM 490 CA TYR A 35 59.944 16.488 11.304 1.00 0.00 C ATOM 491 C TYR A 35 61.311 16.959 11.828 1.00 0.00 C ATOM 492 O TYR A 35 61.494 18.108 12.179 1.00 0.00 O ATOM 493 CB TYR A 35 59.235 15.578 12.333 1.00 0.00 C ATOM 494 CG TYR A 35 59.763 14.223 12.395 1.00 0.00 C ATOM 495 CD1 TYR A 35 59.265 13.278 11.537 1.00 0.00 C ATOM 496 CD2 TYR A 35 60.712 13.921 13.337 1.00 0.00 C ATOM 497 CE1 TYR A 35 59.721 12.003 11.601 1.00 0.00 C ATOM 498 CE2 TYR A 35 61.193 12.653 13.422 1.00 0.00 C ATOM 499 CZ TYR A 35 60.703 11.659 12.551 1.00 0.00 C ATOM 500 OH TYR A 35 61.177 10.369 12.628 1.00 0.00 O ATOM 0 H TYR A 35 60.527 14.829 10.126 1.00 0.00 H new ATOM 0 HA TYR A 35 59.341 17.380 11.137 1.00 0.00 H new ATOM 0 HB2 TYR A 35 59.316 16.033 13.320 1.00 0.00 H new ATOM 0 HB3 TYR A 35 58.174 15.532 12.090 1.00 0.00 H new ATOM 0 HD1 TYR A 35 58.511 13.548 10.812 1.00 0.00 H new ATOM 0 HD2 TYR A 35 61.075 14.686 14.007 1.00 0.00 H new ATOM 0 HE1 TYR A 35 59.333 11.254 10.927 1.00 0.00 H new ATOM 0 HE2 TYR A 35 61.948 12.408 14.154 1.00 0.00 H new ATOM 0 HH TYR A 35 61.850 10.310 13.338 1.00 0.00 H new ATOM 510 N HIS A 36 62.248 16.060 11.863 1.00 0.00 N ATOM 511 CA HIS A 36 63.654 16.363 12.341 1.00 0.00 C ATOM 512 C HIS A 36 64.610 16.754 11.179 1.00 0.00 C ATOM 513 O HIS A 36 65.806 16.868 11.378 1.00 0.00 O ATOM 514 CB HIS A 36 64.228 15.177 13.167 1.00 0.00 C ATOM 515 CG HIS A 36 64.167 13.863 12.430 1.00 0.00 C ATOM 516 ND1 HIS A 36 64.539 12.669 13.019 1.00 0.00 N ATOM 517 CD2 HIS A 36 63.743 13.545 11.180 1.00 0.00 C ATOM 518 CE1 HIS A 36 64.322 11.693 12.120 1.00 0.00 C ATOM 519 NE2 HIS A 36 63.834 12.178 10.980 1.00 0.00 N ATOM 0 H HIS A 36 62.109 15.092 11.574 1.00 0.00 H new ATOM 0 HA HIS A 36 63.585 17.234 12.992 1.00 0.00 H new ATOM 0 HB2 HIS A 36 65.264 15.392 13.430 1.00 0.00 H new ATOM 0 HB3 HIS A 36 63.673 15.090 14.101 1.00 0.00 H new ATOM 0 HD1 HIS A 36 64.910 12.550 13.962 1.00 0.00 H new ATOM 0 HD2 HIS A 36 63.387 14.255 10.448 1.00 0.00 H new ATOM 0 HE1 HIS A 36 64.519 10.646 12.300 1.00 0.00 H new ATOM 527 N CYS A 37 64.081 16.961 9.977 1.00 0.00 N ATOM 528 CA CYS A 37 64.903 17.363 8.758 1.00 0.00 C ATOM 529 C CYS A 37 65.724 16.199 8.171 1.00 0.00 C ATOM 530 O CYS A 37 66.217 16.299 7.063 1.00 0.00 O ATOM 531 CB CYS A 37 65.820 18.562 9.061 1.00 0.00 C ATOM 532 SG CYS A 37 66.161 19.455 7.517 1.00 0.00 S ATOM 0 H CYS A 37 63.084 16.865 9.784 1.00 0.00 H new ATOM 0 HA CYS A 37 64.178 17.659 8.000 1.00 0.00 H new ATOM 0 HB2 CYS A 37 65.344 19.226 9.782 1.00 0.00 H new ATOM 0 HB3 CYS A 37 66.752 18.219 9.510 1.00 0.00 H new ATOM 0 HG CYS A 37 66.160 18.618 6.522 1.00 0.00 H new ATOM 538 N GLN A 38 65.807 15.079 8.846 1.00 0.00 N ATOM 539 CA GLN A 38 66.516 13.892 8.282 1.00 0.00 C ATOM 540 C GLN A 38 65.640 13.379 7.125 1.00 0.00 C ATOM 541 O GLN A 38 66.138 13.046 6.075 1.00 0.00 O ATOM 542 CB GLN A 38 66.721 12.851 9.414 1.00 0.00 C ATOM 543 CG GLN A 38 66.158 11.464 9.040 1.00 0.00 C ATOM 544 CD GLN A 38 66.992 10.368 9.693 1.00 0.00 C ATOM 545 OE1 GLN A 38 66.721 9.957 10.796 1.00 0.00 O ATOM 546 NE2 GLN A 38 68.006 9.873 9.054 1.00 0.00 N ATOM 0 H GLN A 38 65.409 14.937 9.774 1.00 0.00 H new ATOM 0 HA GLN A 38 67.509 14.120 7.895 1.00 0.00 H new ATOM 0 HB2 GLN A 38 67.785 12.762 9.635 1.00 0.00 H new ATOM 0 HB3 GLN A 38 66.235 13.205 10.323 1.00 0.00 H new ATOM 0 HG2 GLN A 38 65.120 11.384 9.364 1.00 0.00 H new ATOM 0 HG3 GLN A 38 66.164 11.340 7.957 1.00 0.00 H new ATOM 0 HE21 GLN A 38 68.239 10.217 8.122 1.00 0.00 H new ATOM 0 HE22 GLN A 38 68.571 9.140 9.483 1.00 0.00 H new ATOM 555 N LEU A 39 64.329 13.387 7.298 1.00 0.00 N ATOM 556 CA LEU A 39 63.416 12.987 6.185 1.00 0.00 C ATOM 557 C LEU A 39 63.564 14.021 5.041 1.00 0.00 C ATOM 558 O LEU A 39 63.454 13.672 3.884 1.00 0.00 O ATOM 559 CB LEU A 39 61.966 12.911 6.721 1.00 0.00 C ATOM 560 CG LEU A 39 61.603 11.466 7.133 1.00 0.00 C ATOM 561 CD1 LEU A 39 61.918 10.477 6.005 1.00 0.00 C ATOM 562 CD2 LEU A 39 62.398 11.070 8.383 1.00 0.00 C ATOM 0 H LEU A 39 63.861 13.654 8.164 1.00 0.00 H new ATOM 0 HA LEU A 39 63.672 12.003 5.793 1.00 0.00 H new ATOM 0 HB2 LEU A 39 61.856 13.576 7.578 1.00 0.00 H new ATOM 0 HB3 LEU A 39 61.273 13.260 5.956 1.00 0.00 H new ATOM 0 HG LEU A 39 60.534 11.431 7.342 1.00 0.00 H new ATOM 0 HD11 LEU A 39 61.653 9.468 6.321 1.00 0.00 H new ATOM 0 HD12 LEU A 39 61.343 10.742 5.118 1.00 0.00 H new ATOM 0 HD13 LEU A 39 62.982 10.517 5.773 1.00 0.00 H new ATOM 0 HD21 LEU A 39 62.140 10.051 8.671 1.00 0.00 H new ATOM 0 HD22 LEU A 39 63.465 11.127 8.169 1.00 0.00 H new ATOM 0 HD23 LEU A 39 62.155 11.750 9.199 1.00 0.00 H new ATOM 574 N CYS A 40 63.907 15.269 5.366 1.00 0.00 N ATOM 575 CA CYS A 40 64.182 16.304 4.312 1.00 0.00 C ATOM 576 C CYS A 40 65.533 15.953 3.656 1.00 0.00 C ATOM 577 O CYS A 40 65.691 16.124 2.456 1.00 0.00 O ATOM 578 CB CYS A 40 64.172 17.721 4.958 1.00 0.00 C ATOM 579 SG CYS A 40 65.805 18.526 4.915 1.00 0.00 S ATOM 0 H CYS A 40 64.005 15.604 6.324 1.00 0.00 H new ATOM 0 HA CYS A 40 63.414 16.311 3.539 1.00 0.00 H new ATOM 0 HB2 CYS A 40 63.449 18.348 4.437 1.00 0.00 H new ATOM 0 HB3 CYS A 40 63.838 17.642 5.993 1.00 0.00 H new ATOM 0 HG CYS A 40 65.908 19.351 5.914 1.00 0.00 H new ATOM 585 N PHE A 41 66.471 15.374 4.413 1.00 0.00 N ATOM 586 CA PHE A 41 67.749 14.910 3.821 1.00 0.00 C ATOM 587 C PHE A 41 67.383 13.767 2.905 1.00 0.00 C ATOM 588 O PHE A 41 67.752 13.795 1.757 1.00 0.00 O ATOM 589 CB PHE A 41 68.710 14.496 4.979 1.00 0.00 C ATOM 590 CG PHE A 41 69.444 13.196 4.800 1.00 0.00 C ATOM 591 CD1 PHE A 41 70.691 13.210 4.205 1.00 0.00 C ATOM 592 CD2 PHE A 41 68.958 12.014 5.366 1.00 0.00 C ATOM 593 CE1 PHE A 41 71.447 12.061 4.148 1.00 0.00 C ATOM 594 CE2 PHE A 41 69.728 10.871 5.342 1.00 0.00 C ATOM 595 CZ PHE A 41 70.981 10.880 4.732 1.00 0.00 C ATOM 0 H PHE A 41 66.382 15.214 5.416 1.00 0.00 H new ATOM 0 HA PHE A 41 68.274 15.673 3.246 1.00 0.00 H new ATOM 0 HB2 PHE A 41 69.446 15.289 5.114 1.00 0.00 H new ATOM 0 HB3 PHE A 41 68.131 14.438 5.901 1.00 0.00 H new ATOM 0 HD1 PHE A 41 71.074 14.127 3.783 1.00 0.00 H new ATOM 0 HD2 PHE A 41 67.979 11.996 5.822 1.00 0.00 H new ATOM 0 HE1 PHE A 41 72.405 12.072 3.649 1.00 0.00 H new ATOM 0 HE2 PHE A 41 69.359 9.964 5.798 1.00 0.00 H new ATOM 0 HZ PHE A 41 71.585 9.985 4.711 1.00 0.00 H new ATOM 605 N LEU A 42 66.590 12.807 3.372 1.00 0.00 N ATOM 606 CA LEU A 42 66.156 11.701 2.474 1.00 0.00 C ATOM 607 C LEU A 42 65.361 12.288 1.292 1.00 0.00 C ATOM 608 O LEU A 42 65.347 11.705 0.236 1.00 0.00 O ATOM 609 CB LEU A 42 65.294 10.699 3.264 1.00 0.00 C ATOM 610 CG LEU A 42 66.058 9.402 3.516 1.00 0.00 C ATOM 611 CD1 LEU A 42 67.237 9.693 4.424 1.00 0.00 C ATOM 612 CD2 LEU A 42 65.137 8.391 4.197 1.00 0.00 C ATOM 0 H LEU A 42 66.237 12.756 4.328 1.00 0.00 H new ATOM 0 HA LEU A 42 67.028 11.175 2.086 1.00 0.00 H new ATOM 0 HB2 LEU A 42 64.996 11.141 4.215 1.00 0.00 H new ATOM 0 HB3 LEU A 42 64.379 10.485 2.711 1.00 0.00 H new ATOM 0 HG LEU A 42 66.409 8.993 2.569 1.00 0.00 H new ATOM 0 HD11 LEU A 42 67.789 8.772 4.610 1.00 0.00 H new ATOM 0 HD12 LEU A 42 67.894 10.420 3.946 1.00 0.00 H new ATOM 0 HD13 LEU A 42 66.877 10.097 5.370 1.00 0.00 H new ATOM 0 HD21 LEU A 42 65.683 7.465 4.377 1.00 0.00 H new ATOM 0 HD22 LEU A 42 64.789 8.798 5.147 1.00 0.00 H new ATOM 0 HD23 LEU A 42 64.281 8.188 3.554 1.00 0.00 H new ATOM 624 N ARG A 43 64.741 13.458 1.443 1.00 0.00 N ATOM 625 CA ARG A 43 64.026 14.082 0.296 1.00 0.00 C ATOM 626 C ARG A 43 65.064 14.651 -0.714 1.00 0.00 C ATOM 627 O ARG A 43 64.751 14.782 -1.888 1.00 0.00 O ATOM 628 CB ARG A 43 63.122 15.216 0.812 1.00 0.00 C ATOM 629 CG ARG A 43 61.789 15.215 0.049 1.00 0.00 C ATOM 630 CD ARG A 43 61.583 16.566 -0.646 1.00 0.00 C ATOM 631 NE ARG A 43 62.305 16.569 -1.962 1.00 0.00 N ATOM 632 CZ ARG A 43 61.821 15.928 -2.984 1.00 0.00 C ATOM 633 NH1 ARG A 43 60.776 16.388 -3.601 1.00 0.00 N ATOM 634 NH2 ARG A 43 62.392 14.834 -3.382 1.00 0.00 N ATOM 0 H ARG A 43 64.710 13.990 2.313 1.00 0.00 H new ATOM 0 HA ARG A 43 63.412 13.333 -0.204 1.00 0.00 H new ATOM 0 HB2 ARG A 43 62.940 15.089 1.879 1.00 0.00 H new ATOM 0 HB3 ARG A 43 63.622 16.176 0.686 1.00 0.00 H new ATOM 0 HG2 ARG A 43 61.783 14.412 -0.689 1.00 0.00 H new ATOM 0 HG3 ARG A 43 60.966 15.021 0.737 1.00 0.00 H new ATOM 0 HD2 ARG A 43 60.520 16.748 -0.802 1.00 0.00 H new ATOM 0 HD3 ARG A 43 61.955 17.372 -0.014 1.00 0.00 H new ATOM 0 HE ARG A 43 63.184 17.079 -2.055 1.00 0.00 H new ATOM 0 HH11 ARG A 43 60.336 17.252 -3.284 1.00 0.00 H new ATOM 0 HH12 ARG A 43 60.395 15.886 -4.403 1.00 0.00 H new ATOM 0 HH21 ARG A 43 63.215 14.482 -2.894 1.00 0.00 H new ATOM 0 HH22 ARG A 43 62.018 14.326 -4.183 1.00 0.00 H new ATOM 648 N SER A 44 66.285 15.016 -0.280 1.00 0.00 N ATOM 649 CA SER A 44 67.287 15.600 -1.251 1.00 0.00 C ATOM 650 C SER A 44 68.755 15.133 -0.978 1.00 0.00 C ATOM 651 O SER A 44 69.657 15.927 -1.146 1.00 0.00 O ATOM 652 CB SER A 44 67.197 17.138 -1.140 1.00 0.00 C ATOM 653 OG SER A 44 67.482 17.548 0.201 1.00 0.00 O ATOM 0 H SER A 44 66.611 14.932 0.683 1.00 0.00 H new ATOM 0 HA SER A 44 67.041 15.249 -2.253 1.00 0.00 H new ATOM 0 HB2 SER A 44 67.902 17.603 -1.829 1.00 0.00 H new ATOM 0 HB3 SER A 44 66.201 17.474 -1.428 1.00 0.00 H new ATOM 0 HG SER A 44 67.425 18.524 0.264 1.00 0.00 H new ATOM 659 N LEU A 45 69.010 13.865 -0.580 1.00 0.00 N ATOM 660 CA LEU A 45 70.442 13.351 -0.342 1.00 0.00 C ATOM 661 C LEU A 45 71.287 13.504 -1.651 1.00 0.00 C ATOM 662 O LEU A 45 71.485 12.540 -2.388 1.00 0.00 O ATOM 663 CB LEU A 45 70.322 11.855 -0.038 1.00 0.00 C ATOM 664 CG LEU A 45 70.497 11.533 1.409 1.00 0.00 C ATOM 665 CD1 LEU A 45 69.131 11.448 2.020 1.00 0.00 C ATOM 666 CD2 LEU A 45 71.154 10.172 1.551 1.00 0.00 C ATOM 0 H LEU A 45 68.284 13.169 -0.411 1.00 0.00 H new ATOM 0 HA LEU A 45 70.919 13.907 0.465 1.00 0.00 H new ATOM 0 HB2 LEU A 45 69.345 11.501 -0.367 1.00 0.00 H new ATOM 0 HB3 LEU A 45 71.069 11.312 -0.617 1.00 0.00 H new ATOM 0 HG LEU A 45 71.111 12.293 1.892 1.00 0.00 H new ATOM 0 HD11 LEU A 45 69.221 11.213 3.081 1.00 0.00 H new ATOM 0 HD12 LEU A 45 68.619 12.403 1.902 1.00 0.00 H new ATOM 0 HD13 LEU A 45 68.558 10.666 1.523 1.00 0.00 H new ATOM 0 HD21 LEU A 45 71.281 9.938 2.608 1.00 0.00 H new ATOM 0 HD22 LEU A 45 70.525 9.414 1.085 1.00 0.00 H new ATOM 0 HD23 LEU A 45 72.128 10.186 1.063 1.00 0.00 H new ATOM 678 N GLY A 46 71.685 14.724 -2.006 1.00 0.00 N ATOM 679 CA GLY A 46 72.392 14.977 -3.325 1.00 0.00 C ATOM 680 C GLY A 46 71.495 14.475 -4.506 1.00 0.00 C ATOM 681 O GLY A 46 71.970 14.299 -5.607 1.00 0.00 O ATOM 0 H GLY A 46 71.548 15.557 -1.434 1.00 0.00 H new ATOM 0 HA2 GLY A 46 72.600 16.041 -3.440 1.00 0.00 H new ATOM 0 HA3 GLY A 46 73.352 14.461 -3.339 1.00 0.00 H new ATOM 685 N ILE A 47 70.205 14.211 -4.236 1.00 0.00 N ATOM 686 CA ILE A 47 69.176 13.668 -5.199 1.00 0.00 C ATOM 687 C ILE A 47 69.545 12.319 -5.890 1.00 0.00 C ATOM 688 O ILE A 47 68.631 11.582 -6.221 1.00 0.00 O ATOM 689 CB ILE A 47 68.557 14.716 -6.149 1.00 0.00 C ATOM 690 CG1 ILE A 47 69.203 16.119 -6.010 1.00 0.00 C ATOM 691 CG2 ILE A 47 67.062 14.807 -5.771 1.00 0.00 C ATOM 692 CD1 ILE A 47 68.808 16.777 -4.676 1.00 0.00 C ATOM 0 H ILE A 47 69.814 14.370 -3.308 1.00 0.00 H new ATOM 0 HA ILE A 47 68.358 13.393 -4.533 1.00 0.00 H new ATOM 0 HB ILE A 47 68.720 14.406 -7.181 1.00 0.00 H new ATOM 0 HG12 ILE A 47 70.288 16.032 -6.070 1.00 0.00 H new ATOM 0 HG13 ILE A 47 68.888 16.752 -6.839 1.00 0.00 H new ATOM 0 HG21 ILE A 47 66.568 15.537 -6.413 1.00 0.00 H new ATOM 0 HG22 ILE A 47 66.593 13.832 -5.903 1.00 0.00 H new ATOM 0 HG23 ILE A 47 66.968 15.117 -4.730 1.00 0.00 H new ATOM 0 HD11 ILE A 47 69.274 17.760 -4.603 1.00 0.00 H new ATOM 0 HD12 ILE A 47 67.724 16.885 -4.630 1.00 0.00 H new ATOM 0 HD13 ILE A 47 69.146 16.153 -3.848 1.00 0.00 H new ATOM 704 N ASP A 48 70.817 11.902 -5.991 1.00 0.00 N ATOM 705 CA ASP A 48 71.127 10.512 -6.509 1.00 0.00 C ATOM 706 C ASP A 48 70.533 9.537 -5.474 1.00 0.00 C ATOM 707 O ASP A 48 70.126 8.444 -5.826 1.00 0.00 O ATOM 708 CB ASP A 48 72.660 10.286 -6.638 1.00 0.00 C ATOM 709 CG ASP A 48 73.008 8.781 -6.536 1.00 0.00 C ATOM 710 OD1 ASP A 48 72.814 8.070 -7.506 1.00 0.00 O ATOM 711 OD2 ASP A 48 73.427 8.357 -5.469 1.00 0.00 O ATOM 0 H ASP A 48 71.632 12.461 -5.739 1.00 0.00 H new ATOM 0 HA ASP A 48 70.704 10.363 -7.503 1.00 0.00 H new ATOM 0 HB2 ASP A 48 73.011 10.680 -7.592 1.00 0.00 H new ATOM 0 HB3 ASP A 48 73.180 10.837 -5.855 1.00 0.00 H new ATOM 716 N TYR A 49 70.427 9.939 -4.199 1.00 0.00 N ATOM 717 CA TYR A 49 69.800 9.050 -3.227 1.00 0.00 C ATOM 718 C TYR A 49 68.273 8.982 -3.525 1.00 0.00 C ATOM 719 O TYR A 49 67.625 8.084 -3.097 1.00 0.00 O ATOM 720 CB TYR A 49 70.045 9.491 -1.780 1.00 0.00 C ATOM 721 CG TYR A 49 69.121 8.723 -0.929 1.00 0.00 C ATOM 722 CD1 TYR A 49 69.249 7.363 -0.847 1.00 0.00 C ATOM 723 CD2 TYR A 49 68.048 9.367 -0.376 1.00 0.00 C ATOM 724 CE1 TYR A 49 68.300 6.635 -0.205 1.00 0.00 C ATOM 725 CE2 TYR A 49 67.095 8.675 0.279 1.00 0.00 C ATOM 726 CZ TYR A 49 67.194 7.278 0.377 1.00 0.00 C ATOM 727 OH TYR A 49 66.223 6.544 1.023 1.00 0.00 O ATOM 0 H TYR A 49 70.753 10.834 -3.834 1.00 0.00 H new ATOM 0 HA TYR A 49 70.252 8.063 -3.327 1.00 0.00 H new ATOM 0 HB2 TYR A 49 71.079 9.305 -1.491 1.00 0.00 H new ATOM 0 HB3 TYR A 49 69.871 10.561 -1.669 1.00 0.00 H new ATOM 0 HD1 TYR A 49 70.102 6.871 -1.291 1.00 0.00 H new ATOM 0 HD2 TYR A 49 67.964 10.440 -0.465 1.00 0.00 H new ATOM 0 HE1 TYR A 49 68.395 5.561 -0.141 1.00 0.00 H new ATOM 0 HE2 TYR A 49 66.259 9.193 0.726 1.00 0.00 H new ATOM 0 HH TYR A 49 65.532 7.147 1.367 1.00 0.00 H new ATOM 737 N LEU A 50 67.674 9.880 -4.257 1.00 0.00 N ATOM 738 CA LEU A 50 66.204 9.689 -4.538 1.00 0.00 C ATOM 739 C LEU A 50 66.068 8.891 -5.828 1.00 0.00 C ATOM 740 O LEU A 50 65.184 8.061 -5.961 1.00 0.00 O ATOM 741 CB LEU A 50 65.423 10.973 -4.316 1.00 0.00 C ATOM 742 CG LEU A 50 65.383 11.142 -2.755 1.00 0.00 C ATOM 743 CD1 LEU A 50 64.851 9.844 -2.072 1.00 0.00 C ATOM 744 CD2 LEU A 50 66.814 11.300 -2.237 1.00 0.00 C ATOM 0 H LEU A 50 68.108 10.709 -4.663 1.00 0.00 H new ATOM 0 HA LEU A 50 65.683 9.060 -3.816 1.00 0.00 H new ATOM 0 HB2 LEU A 50 65.910 11.822 -4.795 1.00 0.00 H new ATOM 0 HB3 LEU A 50 64.419 10.904 -4.734 1.00 0.00 H new ATOM 0 HG LEU A 50 64.748 11.999 -2.532 1.00 0.00 H new ATOM 0 HD11 LEU A 50 64.832 9.983 -0.991 1.00 0.00 H new ATOM 0 HD12 LEU A 50 63.843 9.632 -2.429 1.00 0.00 H new ATOM 0 HD13 LEU A 50 65.506 9.008 -2.318 1.00 0.00 H new ATOM 0 HD21 LEU A 50 66.798 11.418 -1.154 1.00 0.00 H new ATOM 0 HD22 LEU A 50 67.395 10.415 -2.497 1.00 0.00 H new ATOM 0 HD23 LEU A 50 67.270 12.180 -2.691 1.00 0.00 H new ATOM 756 N ASP A 51 67.133 8.931 -6.608 1.00 0.00 N ATOM 757 CA ASP A 51 67.342 7.977 -7.700 1.00 0.00 C ATOM 758 C ASP A 51 67.522 6.598 -6.916 1.00 0.00 C ATOM 759 O ASP A 51 67.085 5.549 -7.357 1.00 0.00 O ATOM 760 CB ASP A 51 68.628 8.468 -8.383 1.00 0.00 C ATOM 761 CG ASP A 51 68.355 8.824 -9.840 1.00 0.00 C ATOM 762 OD1 ASP A 51 67.996 9.956 -10.091 1.00 0.00 O ATOM 763 OD2 ASP A 51 68.507 7.954 -10.676 1.00 0.00 O ATOM 0 H ASP A 51 67.879 9.620 -6.509 1.00 0.00 H new ATOM 0 HA ASP A 51 66.568 7.874 -8.460 1.00 0.00 H new ATOM 0 HB2 ASP A 51 69.017 9.339 -7.856 1.00 0.00 H new ATOM 0 HB3 ASP A 51 69.394 7.694 -8.329 1.00 0.00 H new ATOM 768 N ALA A 52 68.103 6.677 -5.677 1.00 0.00 N ATOM 769 CA ALA A 52 68.264 5.521 -4.723 1.00 0.00 C ATOM 770 C ALA A 52 66.891 5.132 -4.159 1.00 0.00 C ATOM 771 O ALA A 52 66.404 4.066 -4.488 1.00 0.00 O ATOM 772 CB ALA A 52 69.152 5.914 -3.484 1.00 0.00 C ATOM 0 H ALA A 52 68.477 7.551 -5.306 1.00 0.00 H new ATOM 0 HA ALA A 52 68.730 4.708 -5.279 1.00 0.00 H new ATOM 0 HB1 ALA A 52 69.247 5.057 -2.818 1.00 0.00 H new ATOM 0 HB2 ALA A 52 70.141 6.218 -3.827 1.00 0.00 H new ATOM 0 HB3 ALA A 52 68.684 6.740 -2.948 1.00 0.00 H new ATOM 778 N SER A 53 66.283 5.965 -3.271 1.00 0.00 N ATOM 779 CA SER A 53 64.975 5.591 -2.626 1.00 0.00 C ATOM 780 C SER A 53 65.073 4.115 -2.133 1.00 0.00 C ATOM 781 O SER A 53 64.236 3.280 -2.433 1.00 0.00 O ATOM 782 CB SER A 53 63.856 5.797 -3.643 1.00 0.00 C ATOM 783 OG SER A 53 62.597 5.775 -2.972 1.00 0.00 O ATOM 0 H SER A 53 66.655 6.871 -2.987 1.00 0.00 H new ATOM 0 HA SER A 53 64.755 6.217 -1.761 1.00 0.00 H new ATOM 0 HB2 SER A 53 63.989 6.748 -4.159 1.00 0.00 H new ATOM 0 HB3 SER A 53 63.890 5.015 -4.401 1.00 0.00 H new ATOM 0 HG SER A 53 62.519 4.949 -2.450 1.00 0.00 H new ATOM 789 N LEU A 54 66.166 3.807 -1.418 1.00 0.00 N ATOM 790 CA LEU A 54 66.475 2.411 -0.903 1.00 0.00 C ATOM 791 C LEU A 54 67.036 1.498 -2.050 1.00 0.00 C ATOM 792 O LEU A 54 66.911 0.289 -1.988 1.00 0.00 O ATOM 793 CB LEU A 54 65.216 1.784 -0.260 1.00 0.00 C ATOM 794 CG LEU A 54 65.620 0.787 0.835 1.00 0.00 C ATOM 795 CD1 LEU A 54 65.387 1.409 2.211 1.00 0.00 C ATOM 796 CD2 LEU A 54 64.773 -0.480 0.705 1.00 0.00 C ATOM 0 H LEU A 54 66.875 4.497 -1.167 1.00 0.00 H new ATOM 0 HA LEU A 54 67.247 2.491 -0.138 1.00 0.00 H new ATOM 0 HB2 LEU A 54 64.588 2.567 0.165 1.00 0.00 H new ATOM 0 HB3 LEU A 54 64.623 1.278 -1.022 1.00 0.00 H new ATOM 0 HG LEU A 54 66.675 0.538 0.724 1.00 0.00 H new ATOM 0 HD11 LEU A 54 65.675 0.698 2.985 1.00 0.00 H new ATOM 0 HD12 LEU A 54 65.987 2.314 2.308 1.00 0.00 H new ATOM 0 HD13 LEU A 54 64.332 1.660 2.323 1.00 0.00 H new ATOM 0 HD21 LEU A 54 65.058 -1.190 1.482 1.00 0.00 H new ATOM 0 HD22 LEU A 54 63.719 -0.226 0.815 1.00 0.00 H new ATOM 0 HD23 LEU A 54 64.938 -0.929 -0.275 1.00 0.00 H new ATOM 808 N ARG A 55 67.665 2.083 -3.081 1.00 0.00 N ATOM 809 CA ARG A 55 68.258 1.316 -4.256 1.00 0.00 C ATOM 810 C ARG A 55 67.310 0.198 -4.772 1.00 0.00 C ATOM 811 O ARG A 55 66.379 0.516 -5.488 1.00 0.00 O ATOM 812 CB ARG A 55 69.679 0.792 -3.897 1.00 0.00 C ATOM 813 CG ARG A 55 70.639 1.958 -3.546 1.00 0.00 C ATOM 814 CD ARG A 55 70.555 3.078 -4.601 1.00 0.00 C ATOM 815 NE ARG A 55 71.920 3.601 -4.933 1.00 0.00 N ATOM 816 CZ ARG A 55 72.108 4.874 -5.228 1.00 0.00 C ATOM 817 NH1 ARG A 55 71.490 5.418 -6.238 1.00 0.00 N ATOM 818 NH2 ARG A 55 72.916 5.591 -4.510 1.00 0.00 N ATOM 0 H ARG A 55 67.792 3.093 -3.151 1.00 0.00 H new ATOM 0 HA ARG A 55 68.366 2.006 -5.093 1.00 0.00 H new ATOM 0 HB2 ARG A 55 69.613 0.106 -3.053 1.00 0.00 H new ATOM 0 HB3 ARG A 55 70.083 0.226 -4.737 1.00 0.00 H new ATOM 0 HG2 ARG A 55 70.387 2.359 -2.564 1.00 0.00 H new ATOM 0 HG3 ARG A 55 71.662 1.586 -3.486 1.00 0.00 H new ATOM 0 HD2 ARG A 55 70.077 2.698 -5.504 1.00 0.00 H new ATOM 0 HD3 ARG A 55 69.931 3.890 -4.227 1.00 0.00 H new ATOM 0 HE ARG A 55 72.716 2.963 -4.931 1.00 0.00 H new ATOM 0 HH11 ARG A 55 70.855 4.860 -6.808 1.00 0.00 H new ATOM 0 HH12 ARG A 55 71.641 6.402 -6.458 1.00 0.00 H new ATOM 0 HH21 ARG A 55 73.405 5.171 -3.719 1.00 0.00 H new ATOM 0 HH22 ARG A 55 73.063 6.575 -4.736 1.00 0.00 H new ATOM 832 N LYS A 56 67.544 -1.084 -4.454 1.00 0.00 N ATOM 833 CA LYS A 56 66.677 -2.231 -4.970 1.00 0.00 C ATOM 834 C LYS A 56 66.891 -2.358 -6.497 1.00 0.00 C ATOM 835 O LYS A 56 67.553 -3.265 -6.955 1.00 0.00 O ATOM 836 CB LYS A 56 65.175 -2.020 -4.656 1.00 0.00 C ATOM 837 CG LYS A 56 64.937 -1.991 -3.138 1.00 0.00 C ATOM 838 CD LYS A 56 63.637 -1.229 -2.828 1.00 0.00 C ATOM 839 CE LYS A 56 63.786 0.251 -3.215 1.00 0.00 C ATOM 840 NZ LYS A 56 62.725 1.062 -2.539 1.00 0.00 N ATOM 0 H LYS A 56 68.310 -1.383 -3.851 1.00 0.00 H new ATOM 0 HA LYS A 56 66.977 -3.147 -4.462 1.00 0.00 H new ATOM 0 HB2 LYS A 56 64.833 -1.085 -5.101 1.00 0.00 H new ATOM 0 HB3 LYS A 56 64.588 -2.821 -5.106 1.00 0.00 H new ATOM 0 HG2 LYS A 56 64.874 -3.008 -2.751 1.00 0.00 H new ATOM 0 HG3 LYS A 56 65.778 -1.511 -2.638 1.00 0.00 H new ATOM 0 HD2 LYS A 56 62.806 -1.674 -3.376 1.00 0.00 H new ATOM 0 HD3 LYS A 56 63.401 -1.313 -1.767 1.00 0.00 H new ATOM 0 HE2 LYS A 56 64.773 0.614 -2.927 1.00 0.00 H new ATOM 0 HE3 LYS A 56 63.708 0.363 -4.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 62.997 2.066 -2.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 61.823 0.944 -3.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 62.616 0.741 -1.556 1.00 0.00 H new ATOM 854 N LYS A 57 66.381 -1.415 -7.270 1.00 0.00 N ATOM 855 CA LYS A 57 66.585 -1.413 -8.755 1.00 0.00 C ATOM 856 C LYS A 57 68.025 -0.932 -9.079 1.00 0.00 C ATOM 857 O LYS A 57 68.581 -1.304 -10.098 1.00 0.00 O ATOM 858 CB LYS A 57 65.559 -0.460 -9.396 1.00 0.00 C ATOM 859 CG LYS A 57 65.550 -0.627 -10.923 1.00 0.00 C ATOM 860 CD LYS A 57 64.877 0.595 -11.571 1.00 0.00 C ATOM 861 CE LYS A 57 63.572 0.174 -12.261 1.00 0.00 C ATOM 862 NZ LYS A 57 63.850 -0.176 -13.687 1.00 0.00 N ATOM 0 H LYS A 57 65.823 -0.635 -6.922 1.00 0.00 H new ATOM 0 HA LYS A 57 66.449 -2.419 -9.152 1.00 0.00 H new ATOM 0 HB2 LYS A 57 64.566 -0.663 -8.996 1.00 0.00 H new ATOM 0 HB3 LYS A 57 65.801 0.571 -9.138 1.00 0.00 H new ATOM 0 HG2 LYS A 57 66.570 -0.733 -11.294 1.00 0.00 H new ATOM 0 HG3 LYS A 57 65.016 -1.537 -11.196 1.00 0.00 H new ATOM 0 HD2 LYS A 57 64.669 1.350 -10.813 1.00 0.00 H new ATOM 0 HD3 LYS A 57 65.551 1.049 -12.297 1.00 0.00 H new ATOM 0 HE2 LYS A 57 63.135 -0.681 -11.745 1.00 0.00 H new ATOM 0 HE3 LYS A 57 62.844 0.984 -12.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 63.087 -0.781 -14.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 63.902 0.694 -14.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 64.755 -0.685 -13.749 1.00 0.00 H new ATOM 876 N ASN A 58 68.632 -0.106 -8.219 1.00 0.00 N ATOM 877 CA ASN A 58 70.029 0.400 -8.483 1.00 0.00 C ATOM 878 C ASN A 58 71.118 -0.673 -8.234 1.00 0.00 C ATOM 879 O ASN A 58 72.284 -0.378 -8.446 1.00 0.00 O ATOM 880 CB ASN A 58 70.285 1.632 -7.601 1.00 0.00 C ATOM 881 CG ASN A 58 71.361 2.513 -8.207 1.00 0.00 C ATOM 882 OD1 ASN A 58 71.107 3.257 -9.122 1.00 0.00 O ATOM 883 ND2 ASN A 58 72.554 2.480 -7.735 1.00 0.00 N ATOM 0 H ASN A 58 68.212 0.231 -7.353 1.00 0.00 H new ATOM 0 HA ASN A 58 70.094 0.663 -9.539 1.00 0.00 H new ATOM 0 HB2 ASN A 58 69.363 2.202 -7.488 1.00 0.00 H new ATOM 0 HB3 ASN A 58 70.588 1.314 -6.603 1.00 0.00 H new ATOM 0 HD21 ASN A 58 73.277 3.079 -8.133 1.00 0.00 H new ATOM 0 HD22 ASN A 58 72.779 1.855 -6.961 1.00 0.00 H new ATOM 890 N LYS A 59 70.781 -1.911 -7.856 1.00 0.00 N ATOM 891 CA LYS A 59 71.854 -2.963 -7.706 1.00 0.00 C ATOM 892 C LYS A 59 72.281 -3.320 -9.150 1.00 0.00 C ATOM 893 O LYS A 59 71.697 -4.170 -9.806 1.00 0.00 O ATOM 894 CB LYS A 59 71.350 -4.200 -6.909 1.00 0.00 C ATOM 895 CG LYS A 59 70.069 -4.807 -7.515 1.00 0.00 C ATOM 896 CD LYS A 59 70.309 -6.286 -7.840 1.00 0.00 C ATOM 897 CE LYS A 59 69.180 -6.820 -8.725 1.00 0.00 C ATOM 898 NZ LYS A 59 69.462 -8.243 -9.065 1.00 0.00 N ATOM 0 H LYS A 59 69.831 -2.223 -7.652 1.00 0.00 H new ATOM 0 HA LYS A 59 72.700 -2.596 -7.126 1.00 0.00 H new ATOM 0 HB2 LYS A 59 72.133 -4.958 -6.887 1.00 0.00 H new ATOM 0 HB3 LYS A 59 71.158 -3.910 -5.876 1.00 0.00 H new ATOM 0 HG2 LYS A 59 69.240 -4.707 -6.814 1.00 0.00 H new ATOM 0 HG3 LYS A 59 69.789 -4.266 -8.419 1.00 0.00 H new ATOM 0 HD2 LYS A 59 71.266 -6.404 -8.348 1.00 0.00 H new ATOM 0 HD3 LYS A 59 70.364 -6.865 -6.918 1.00 0.00 H new ATOM 0 HE2 LYS A 59 68.225 -6.739 -8.206 1.00 0.00 H new ATOM 0 HE3 LYS A 59 69.101 -6.224 -9.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 68.797 -8.563 -9.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 70.436 -8.329 -9.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 69.351 -8.832 -8.215 1.00 0.00 H new ATOM 912 N GLN A 60 73.236 -2.555 -9.666 1.00 0.00 N ATOM 913 CA GLN A 60 73.704 -2.661 -11.091 1.00 0.00 C ATOM 914 C GLN A 60 72.652 -1.959 -12.006 1.00 0.00 C ATOM 915 O GLN A 60 72.312 -2.452 -13.075 1.00 0.00 O ATOM 916 CB GLN A 60 73.931 -4.134 -11.507 1.00 0.00 C ATOM 917 CG GLN A 60 74.877 -4.191 -12.719 1.00 0.00 C ATOM 918 CD GLN A 60 75.794 -5.412 -12.612 1.00 0.00 C ATOM 919 OE1 GLN A 60 76.887 -5.318 -12.105 1.00 0.00 O ATOM 920 NE2 GLN A 60 75.398 -6.562 -13.073 1.00 0.00 N ATOM 0 H GLN A 60 73.723 -1.837 -9.130 1.00 0.00 H new ATOM 0 HA GLN A 60 74.668 -2.164 -11.198 1.00 0.00 H new ATOM 0 HB2 GLN A 60 74.356 -4.695 -10.675 1.00 0.00 H new ATOM 0 HB3 GLN A 60 72.979 -4.603 -11.754 1.00 0.00 H new ATOM 0 HG2 GLN A 60 74.297 -4.241 -13.641 1.00 0.00 H new ATOM 0 HG3 GLN A 60 75.474 -3.281 -12.767 1.00 0.00 H new ATOM 0 HE21 GLN A 60 74.477 -6.650 -13.502 1.00 0.00 H new ATOM 0 HE22 GLN A 60 76.009 -7.376 -13.005 1.00 0.00 H new ATOM 929 N ARG A 61 72.133 -0.791 -11.580 1.00 0.00 N ATOM 930 CA ARG A 61 71.105 -0.032 -12.395 1.00 0.00 C ATOM 931 C ARG A 61 71.599 0.293 -13.828 1.00 0.00 C ATOM 932 O ARG A 61 70.781 0.578 -14.685 1.00 0.00 O ATOM 933 CB ARG A 61 70.713 1.271 -11.687 1.00 0.00 C ATOM 934 CG ARG A 61 69.172 1.369 -11.630 1.00 0.00 C ATOM 935 CD ARG A 61 68.726 2.823 -11.796 1.00 0.00 C ATOM 936 NE ARG A 61 68.414 3.420 -10.456 1.00 0.00 N ATOM 937 CZ ARG A 61 68.408 4.708 -10.310 1.00 0.00 C ATOM 938 NH1 ARG A 61 69.517 5.332 -10.069 1.00 0.00 N ATOM 939 NH2 ARG A 61 67.294 5.362 -10.402 1.00 0.00 N ATOM 0 H ARG A 61 72.387 -0.343 -10.700 1.00 0.00 H new ATOM 0 HA ARG A 61 70.237 -0.686 -12.483 1.00 0.00 H new ATOM 0 HB2 ARG A 61 71.129 1.292 -10.680 1.00 0.00 H new ATOM 0 HB3 ARG A 61 71.125 2.128 -12.220 1.00 0.00 H new ATOM 0 HG2 ARG A 61 68.732 0.755 -12.416 1.00 0.00 H new ATOM 0 HG3 ARG A 61 68.811 0.977 -10.679 1.00 0.00 H new ATOM 0 HD2 ARG A 61 69.511 3.399 -12.286 1.00 0.00 H new ATOM 0 HD3 ARG A 61 67.847 2.871 -12.438 1.00 0.00 H new ATOM 0 HE ARG A 61 68.207 2.814 -9.662 1.00 0.00 H new ATOM 0 HH11 ARG A 61 70.390 4.810 -9.995 1.00 0.00 H new ATOM 0 HH12 ARG A 61 69.517 6.345 -9.953 1.00 0.00 H new ATOM 0 HH21 ARG A 61 66.424 4.864 -10.589 1.00 0.00 H new ATOM 0 HH22 ARG A 61 67.287 6.376 -10.287 1.00 0.00 H new ATOM 953 N LEU A 62 72.904 0.221 -14.112 1.00 0.00 N ATOM 954 CA LEU A 62 73.418 0.482 -15.514 1.00 0.00 C ATOM 955 C LEU A 62 72.625 -0.396 -16.516 1.00 0.00 C ATOM 956 O LEU A 62 72.168 0.083 -17.541 1.00 0.00 O ATOM 957 CB LEU A 62 74.917 0.133 -15.589 1.00 0.00 C ATOM 958 CG LEU A 62 75.612 1.036 -16.614 1.00 0.00 C ATOM 959 CD1 LEU A 62 76.044 2.341 -15.944 1.00 0.00 C ATOM 960 CD2 LEU A 62 76.847 0.325 -17.166 1.00 0.00 C ATOM 0 H LEU A 62 73.627 -0.007 -13.430 1.00 0.00 H new ATOM 0 HA LEU A 62 73.285 1.534 -15.765 1.00 0.00 H new ATOM 0 HB2 LEU A 62 75.378 0.258 -14.609 1.00 0.00 H new ATOM 0 HB3 LEU A 62 75.042 -0.913 -15.869 1.00 0.00 H new ATOM 0 HG LEU A 62 74.918 1.255 -17.426 1.00 0.00 H new ATOM 0 HD11 LEU A 62 76.538 2.980 -16.676 1.00 0.00 H new ATOM 0 HD12 LEU A 62 75.168 2.854 -15.547 1.00 0.00 H new ATOM 0 HD13 LEU A 62 76.735 2.121 -15.130 1.00 0.00 H new ATOM 0 HD21 LEU A 62 77.341 0.967 -17.895 1.00 0.00 H new ATOM 0 HD22 LEU A 62 77.536 0.105 -16.350 1.00 0.00 H new ATOM 0 HD23 LEU A 62 76.546 -0.606 -17.647 1.00 0.00 H new ATOM 972 N LYS A 63 72.409 -1.663 -16.180 1.00 0.00 N ATOM 973 CA LYS A 63 71.591 -2.563 -17.057 1.00 0.00 C ATOM 974 C LYS A 63 70.245 -2.921 -16.347 1.00 0.00 C ATOM 975 O LYS A 63 69.631 -3.931 -16.643 1.00 0.00 O ATOM 976 CB LYS A 63 72.409 -3.828 -17.406 1.00 0.00 C ATOM 977 CG LYS A 63 71.750 -4.627 -18.560 1.00 0.00 C ATOM 978 CD LYS A 63 71.413 -3.714 -19.763 1.00 0.00 C ATOM 979 CE LYS A 63 69.882 -3.618 -19.954 1.00 0.00 C ATOM 980 NZ LYS A 63 69.371 -2.273 -19.515 1.00 0.00 N ATOM 0 H LYS A 63 72.769 -2.103 -15.333 1.00 0.00 H new ATOM 0 HA LYS A 63 71.347 -2.052 -17.988 1.00 0.00 H new ATOM 0 HB2 LYS A 63 73.421 -3.541 -17.691 1.00 0.00 H new ATOM 0 HB3 LYS A 63 72.494 -4.463 -16.524 1.00 0.00 H new ATOM 0 HG2 LYS A 63 72.422 -5.422 -18.883 1.00 0.00 H new ATOM 0 HG3 LYS A 63 70.840 -5.105 -18.199 1.00 0.00 H new ATOM 0 HD2 LYS A 63 71.829 -2.720 -19.601 1.00 0.00 H new ATOM 0 HD3 LYS A 63 71.875 -4.109 -20.668 1.00 0.00 H new ATOM 0 HE2 LYS A 63 69.631 -3.783 -21.002 1.00 0.00 H new ATOM 0 HE3 LYS A 63 69.390 -4.404 -19.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 68.703 -1.907 -20.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 68.887 -2.368 -18.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 70.169 -1.613 -19.418 1.00 0.00 H new ATOM 994 N ALA A 64 69.779 -2.074 -15.436 1.00 0.00 N ATOM 995 CA ALA A 64 68.477 -2.305 -14.715 1.00 0.00 C ATOM 996 C ALA A 64 67.638 -0.982 -14.627 1.00 0.00 C ATOM 997 O ALA A 64 66.582 -0.967 -14.005 1.00 0.00 O ATOM 998 CB ALA A 64 68.790 -2.824 -13.303 1.00 0.00 C ATOM 0 H ALA A 64 70.261 -1.218 -15.162 1.00 0.00 H new ATOM 0 HA ALA A 64 67.885 -3.036 -15.266 1.00 0.00 H new ATOM 0 HB1 ALA A 64 67.858 -2.998 -12.764 1.00 0.00 H new ATOM 0 HB2 ALA A 64 69.348 -3.758 -13.374 1.00 0.00 H new ATOM 0 HB3 ALA A 64 69.386 -2.085 -12.768 1.00 0.00 H new ATOM 1004 N ILE A 65 68.070 0.116 -15.261 1.00 0.00 N ATOM 1005 CA ILE A 65 67.282 1.411 -15.227 1.00 0.00 C ATOM 1006 C ILE A 65 65.910 1.206 -15.921 1.00 0.00 C ATOM 1007 O ILE A 65 64.893 1.654 -15.417 1.00 0.00 O ATOM 1008 CB ILE A 65 68.101 2.557 -15.883 1.00 0.00 C ATOM 1009 CG1 ILE A 65 67.325 3.886 -15.812 1.00 0.00 C ATOM 1010 CG2 ILE A 65 68.404 2.245 -17.347 1.00 0.00 C ATOM 1011 CD1 ILE A 65 67.433 4.487 -14.408 1.00 0.00 C ATOM 0 H ILE A 65 68.936 0.162 -15.798 1.00 0.00 H new ATOM 0 HA ILE A 65 67.094 1.699 -14.193 1.00 0.00 H new ATOM 0 HB ILE A 65 69.037 2.646 -15.332 1.00 0.00 H new ATOM 0 HG12 ILE A 65 67.721 4.587 -16.547 1.00 0.00 H new ATOM 0 HG13 ILE A 65 66.278 3.718 -16.064 1.00 0.00 H new ATOM 0 HG21 ILE A 65 68.978 3.063 -17.782 1.00 0.00 H new ATOM 0 HG22 ILE A 65 68.981 1.323 -17.410 1.00 0.00 H new ATOM 0 HG23 ILE A 65 67.469 2.126 -17.895 1.00 0.00 H new ATOM 0 HD11 ILE A 65 66.881 5.426 -14.371 1.00 0.00 H new ATOM 0 HD12 ILE A 65 67.015 3.791 -13.681 1.00 0.00 H new ATOM 0 HD13 ILE A 65 68.481 4.673 -14.171 1.00 0.00 H new ATOM 1023 N GLN A 66 65.875 0.479 -17.028 1.00 0.00 N ATOM 1024 CA GLN A 66 64.569 0.170 -17.728 1.00 0.00 C ATOM 1025 C GLN A 66 64.060 -1.246 -17.295 1.00 0.00 C ATOM 1026 O GLN A 66 63.070 -1.734 -17.809 1.00 0.00 O ATOM 1027 CB GLN A 66 64.775 0.173 -19.263 1.00 0.00 C ATOM 1028 CG GLN A 66 65.603 1.399 -19.718 1.00 0.00 C ATOM 1029 CD GLN A 66 67.046 0.999 -20.075 1.00 0.00 C ATOM 1030 OE1 GLN A 66 67.491 -0.106 -19.819 1.00 0.00 O ATOM 1031 NE2 GLN A 66 67.813 1.868 -20.653 1.00 0.00 N ATOM 0 H GLN A 66 66.701 0.084 -17.479 1.00 0.00 H new ATOM 0 HA GLN A 66 63.838 0.931 -17.453 1.00 0.00 H new ATOM 0 HB2 GLN A 66 65.282 -0.743 -19.566 1.00 0.00 H new ATOM 0 HB3 GLN A 66 63.806 0.181 -19.762 1.00 0.00 H new ATOM 0 HG2 GLN A 66 65.127 1.861 -20.583 1.00 0.00 H new ATOM 0 HG3 GLN A 66 65.616 2.146 -18.924 1.00 0.00 H new ATOM 0 HE21 GLN A 66 67.455 2.797 -20.874 1.00 0.00 H new ATOM 0 HE22 GLN A 66 68.775 1.623 -20.887 1.00 0.00 H new ATOM 1040 N GLN A 67 64.758 -1.914 -16.380 1.00 0.00 N ATOM 1041 CA GLN A 67 64.387 -3.299 -15.928 1.00 0.00 C ATOM 1042 C GLN A 67 63.211 -3.312 -14.937 1.00 0.00 C ATOM 1043 O GLN A 67 62.538 -2.316 -14.718 1.00 0.00 O ATOM 1044 CB GLN A 67 65.624 -3.887 -15.234 1.00 0.00 C ATOM 1045 CG GLN A 67 66.529 -4.606 -16.234 1.00 0.00 C ATOM 1046 CD GLN A 67 66.776 -3.773 -17.516 1.00 0.00 C ATOM 1047 OE1 GLN A 67 67.291 -2.670 -17.470 1.00 0.00 O ATOM 1048 NE2 GLN A 67 66.424 -4.253 -18.669 1.00 0.00 N ATOM 0 H GLN A 67 65.589 -1.538 -15.922 1.00 0.00 H new ATOM 0 HA GLN A 67 64.073 -3.877 -16.797 1.00 0.00 H new ATOM 0 HB2 GLN A 67 66.182 -3.090 -14.742 1.00 0.00 H new ATOM 0 HB3 GLN A 67 65.311 -4.584 -14.456 1.00 0.00 H new ATOM 0 HG2 GLN A 67 67.485 -4.828 -15.759 1.00 0.00 H new ATOM 0 HG3 GLN A 67 66.078 -5.560 -16.506 1.00 0.00 H new ATOM 0 HE21 GLN A 67 65.991 -5.175 -18.727 1.00 0.00 H new ATOM 0 HE22 GLN A 67 66.580 -3.708 -19.517 1.00 0.00 H new ATOM 1057 N GLY A 68 62.982 -4.461 -14.327 1.00 0.00 N ATOM 1058 CA GLY A 68 61.870 -4.607 -13.322 1.00 0.00 C ATOM 1059 C GLY A 68 60.695 -5.404 -13.909 1.00 0.00 C ATOM 1060 O GLY A 68 60.097 -6.210 -13.219 1.00 0.00 O ATOM 0 H GLY A 68 63.524 -5.310 -14.485 1.00 0.00 H new ATOM 0 HA2 GLY A 68 62.245 -5.110 -12.430 1.00 0.00 H new ATOM 0 HA3 GLY A 68 61.525 -3.621 -13.011 1.00 0.00 H new ATOM 1064 N ARG A 69 60.361 -5.189 -15.171 1.00 0.00 N ATOM 1065 CA ARG A 69 59.220 -5.935 -15.796 1.00 0.00 C ATOM 1066 C ARG A 69 59.723 -6.775 -16.994 1.00 0.00 C ATOM 1067 O ARG A 69 59.132 -6.782 -18.064 1.00 0.00 O ATOM 1068 CB ARG A 69 58.132 -4.930 -16.228 1.00 0.00 C ATOM 1069 CG ARG A 69 56.772 -5.363 -15.656 1.00 0.00 C ATOM 1070 CD ARG A 69 56.194 -6.519 -16.486 1.00 0.00 C ATOM 1071 NE ARG A 69 56.307 -7.805 -15.713 1.00 0.00 N ATOM 1072 CZ ARG A 69 57.293 -8.630 -15.931 1.00 0.00 C ATOM 1073 NH1 ARG A 69 57.405 -9.218 -17.082 1.00 0.00 N ATOM 1074 NH2 ARG A 69 58.158 -8.865 -14.992 1.00 0.00 N ATOM 0 H ARG A 69 60.833 -4.529 -15.789 1.00 0.00 H new ATOM 0 HA ARG A 69 58.787 -6.624 -15.071 1.00 0.00 H new ATOM 0 HB2 ARG A 69 58.385 -3.931 -15.874 1.00 0.00 H new ATOM 0 HB3 ARG A 69 58.081 -4.879 -17.316 1.00 0.00 H new ATOM 0 HG2 ARG A 69 56.888 -5.673 -14.617 1.00 0.00 H new ATOM 0 HG3 ARG A 69 56.081 -4.520 -15.662 1.00 0.00 H new ATOM 0 HD2 ARG A 69 55.150 -6.319 -16.728 1.00 0.00 H new ATOM 0 HD3 ARG A 69 56.730 -6.604 -17.432 1.00 0.00 H new ATOM 0 HE ARG A 69 55.604 -8.034 -15.010 1.00 0.00 H new ATOM 0 HH11 ARG A 69 56.722 -9.035 -17.817 1.00 0.00 H new ATOM 0 HH12 ARG A 69 58.176 -9.863 -17.252 1.00 0.00 H new ATOM 0 HH21 ARG A 69 58.065 -8.405 -14.086 1.00 0.00 H new ATOM 0 HH22 ARG A 69 58.930 -9.510 -15.160 1.00 0.00 H new ATOM 1088 N GLN A 70 60.803 -7.507 -16.803 1.00 0.00 N ATOM 1089 CA GLN A 70 61.368 -8.348 -17.825 1.00 0.00 C ATOM 1090 C GLN A 70 61.178 -9.796 -17.373 1.00 0.00 C ATOM 1091 O GLN A 70 60.215 -10.049 -16.644 1.00 0.00 O ATOM 1092 CB GLN A 70 62.817 -7.881 -17.930 1.00 0.00 C ATOM 1093 CG GLN A 70 63.076 -7.827 -19.381 1.00 0.00 C ATOM 1094 CD GLN A 70 64.549 -7.718 -19.729 1.00 0.00 C ATOM 1095 OE1 GLN A 70 65.169 -6.710 -19.477 1.00 0.00 O ATOM 1096 NE2 GLN A 70 65.137 -8.686 -20.341 1.00 0.00 N ATOM 0 H GLN A 70 61.315 -7.531 -15.921 1.00 0.00 H new ATOM 0 HA GLN A 70 60.912 -8.288 -18.813 1.00 0.00 H new ATOM 0 HB2 GLN A 70 62.956 -6.905 -17.464 1.00 0.00 H new ATOM 0 HB3 GLN A 70 63.495 -8.572 -17.430 1.00 0.00 H new ATOM 0 HG2 GLN A 70 62.665 -8.722 -19.849 1.00 0.00 H new ATOM 0 HG3 GLN A 70 62.546 -6.974 -19.805 1.00 0.00 H new ATOM 0 HE21 GLN A 70 64.623 -9.540 -20.558 1.00 0.00 H new ATOM 0 HE22 GLN A 70 66.117 -8.599 -20.609 1.00 0.00 H new ATOM 1105 N PRO A 71 62.025 -10.741 -17.769 1.00 0.00 N ATOM 1106 CA PRO A 71 61.837 -12.070 -17.324 1.00 0.00 C ATOM 1107 C PRO A 71 61.908 -12.266 -15.827 1.00 0.00 C ATOM 1108 O PRO A 71 62.276 -11.410 -15.043 1.00 0.00 O ATOM 1109 CB PRO A 71 62.879 -12.902 -18.063 1.00 0.00 C ATOM 1110 CG PRO A 71 63.882 -11.959 -18.608 1.00 0.00 C ATOM 1111 CD PRO A 71 63.199 -10.621 -18.655 1.00 0.00 C ATOM 0 HA PRO A 71 60.817 -12.382 -17.550 1.00 0.00 H new ATOM 0 HB2 PRO A 71 63.349 -13.618 -17.389 1.00 0.00 H new ATOM 0 HB3 PRO A 71 62.415 -13.477 -18.865 1.00 0.00 H new ATOM 0 HG2 PRO A 71 64.770 -11.923 -17.976 1.00 0.00 H new ATOM 0 HG3 PRO A 71 64.209 -12.267 -19.601 1.00 0.00 H new ATOM 0 HD2 PRO A 71 63.866 -9.829 -18.316 1.00 0.00 H new ATOM 0 HD3 PRO A 71 62.898 -10.371 -19.672 1.00 0.00 H new ATOM 1119 N GLN A 72 61.628 -13.477 -15.495 1.00 0.00 N ATOM 1120 CA GLN A 72 61.747 -13.988 -14.080 1.00 0.00 C ATOM 1121 C GLN A 72 63.227 -13.922 -13.623 1.00 0.00 C ATOM 1122 O GLN A 72 63.530 -14.114 -12.460 1.00 0.00 O ATOM 1123 CB GLN A 72 61.225 -15.426 -13.989 1.00 0.00 C ATOM 1124 CG GLN A 72 59.694 -15.444 -14.157 1.00 0.00 C ATOM 1125 CD GLN A 72 59.038 -16.366 -13.126 1.00 0.00 C ATOM 1126 OE1 GLN A 72 59.609 -17.346 -12.699 1.00 0.00 O ATOM 1127 NE2 GLN A 72 57.841 -16.101 -12.718 1.00 0.00 N ATOM 0 H GLN A 72 61.306 -14.180 -16.161 1.00 0.00 H new ATOM 0 HA GLN A 72 61.144 -13.361 -13.423 1.00 0.00 H new ATOM 0 HB2 GLN A 72 61.691 -16.040 -14.760 1.00 0.00 H new ATOM 0 HB3 GLN A 72 61.498 -15.860 -13.027 1.00 0.00 H new ATOM 0 HG2 GLN A 72 59.301 -14.433 -14.048 1.00 0.00 H new ATOM 0 HG3 GLN A 72 59.439 -15.778 -15.163 1.00 0.00 H new ATOM 0 HE21 GLN A 72 57.352 -15.279 -13.071 1.00 0.00 H new ATOM 0 HE22 GLN A 72 57.385 -16.714 -12.042 1.00 0.00 H new ATOM 1136 N TYR A 73 64.111 -13.574 -14.550 1.00 0.00 N ATOM 1137 CA TYR A 73 65.537 -13.338 -14.320 1.00 0.00 C ATOM 1138 C TYR A 73 65.626 -12.078 -13.387 1.00 0.00 C ATOM 1139 O TYR A 73 64.776 -11.862 -12.542 1.00 0.00 O ATOM 1140 CB TYR A 73 66.118 -13.127 -15.790 1.00 0.00 C ATOM 1141 CG TYR A 73 66.136 -11.652 -16.302 1.00 0.00 C ATOM 1142 CD1 TYR A 73 65.150 -10.698 -15.942 1.00 0.00 C ATOM 1143 CD2 TYR A 73 67.232 -11.221 -17.058 1.00 0.00 C ATOM 1144 CE1 TYR A 73 65.295 -9.365 -16.317 1.00 0.00 C ATOM 1145 CE2 TYR A 73 67.347 -9.889 -17.454 1.00 0.00 C ATOM 1146 CZ TYR A 73 66.387 -8.960 -17.071 1.00 0.00 C ATOM 1147 OH TYR A 73 66.533 -7.631 -17.399 1.00 0.00 O ATOM 0 H TYR A 73 63.845 -13.442 -15.526 1.00 0.00 H new ATOM 0 HA TYR A 73 66.102 -14.128 -13.825 1.00 0.00 H new ATOM 0 HB2 TYR A 73 67.136 -13.515 -15.818 1.00 0.00 H new ATOM 0 HB3 TYR A 73 65.529 -13.727 -16.484 1.00 0.00 H new ATOM 0 HD1 TYR A 73 64.284 -11.007 -15.375 1.00 0.00 H new ATOM 0 HD2 TYR A 73 67.998 -11.929 -17.338 1.00 0.00 H new ATOM 0 HE1 TYR A 73 64.552 -8.641 -16.019 1.00 0.00 H new ATOM 0 HE2 TYR A 73 68.185 -9.578 -18.060 1.00 0.00 H new ATOM 0 HH TYR A 73 65.656 -7.249 -17.613 1.00 0.00 H new ATOM 1157 N LEU A 74 66.581 -11.224 -13.599 1.00 0.00 N ATOM 1158 CA LEU A 74 66.703 -9.928 -12.843 1.00 0.00 C ATOM 1159 C LEU A 74 67.153 -10.149 -11.385 1.00 0.00 C ATOM 1160 O LEU A 74 68.222 -9.695 -11.007 1.00 0.00 O ATOM 1161 CB LEU A 74 65.348 -9.174 -12.926 1.00 0.00 C ATOM 1162 CG LEU A 74 65.540 -7.727 -12.470 1.00 0.00 C ATOM 1163 CD1 LEU A 74 66.483 -6.997 -13.437 1.00 0.00 C ATOM 1164 CD2 LEU A 74 64.188 -7.033 -12.454 1.00 0.00 C ATOM 0 H LEU A 74 67.317 -11.367 -14.291 1.00 0.00 H new ATOM 0 HA LEU A 74 67.481 -9.318 -13.302 1.00 0.00 H new ATOM 0 HB2 LEU A 74 64.969 -9.197 -13.948 1.00 0.00 H new ATOM 0 HB3 LEU A 74 64.606 -9.668 -12.299 1.00 0.00 H new ATOM 0 HG LEU A 74 65.976 -7.712 -11.471 1.00 0.00 H new ATOM 0 HD11 LEU A 74 66.616 -5.967 -13.107 1.00 0.00 H new ATOM 0 HD12 LEU A 74 67.449 -7.501 -13.452 1.00 0.00 H new ATOM 0 HD13 LEU A 74 66.054 -7.005 -14.439 1.00 0.00 H new ATOM 0 HD21 LEU A 74 64.313 -6.000 -12.130 1.00 0.00 H new ATOM 0 HD22 LEU A 74 63.759 -7.050 -13.456 1.00 0.00 H new ATOM 0 HD23 LEU A 74 63.521 -7.551 -11.765 1.00 0.00 H new ATOM 1176 N LEU A 75 66.354 -10.838 -10.583 1.00 0.00 N ATOM 1177 CA LEU A 75 66.696 -11.114 -9.131 1.00 0.00 C ATOM 1178 C LEU A 75 66.955 -9.787 -8.336 1.00 0.00 C ATOM 1179 O LEU A 75 67.679 -9.818 -7.345 1.00 0.00 O ATOM 1180 CB LEU A 75 67.929 -12.066 -9.082 1.00 0.00 C ATOM 1181 CG LEU A 75 67.546 -13.452 -8.521 1.00 0.00 C ATOM 1182 CD1 LEU A 75 67.039 -13.323 -7.080 1.00 0.00 C ATOM 1183 CD2 LEU A 75 66.457 -14.091 -9.392 1.00 0.00 C ATOM 1184 OXT LEU A 75 66.425 -8.753 -8.727 1.00 0.00 O ATOM 0 H LEU A 75 65.460 -11.229 -10.880 1.00 0.00 H new ATOM 0 HA LEU A 75 65.849 -11.598 -8.645 1.00 0.00 H new ATOM 0 HB2 LEU A 75 68.344 -12.179 -10.084 1.00 0.00 H new ATOM 0 HB3 LEU A 75 68.709 -11.623 -8.462 1.00 0.00 H new ATOM 0 HG LEU A 75 68.433 -14.085 -8.531 1.00 0.00 H new ATOM 0 HD11 LEU A 75 66.773 -14.309 -6.698 1.00 0.00 H new ATOM 0 HD12 LEU A 75 67.822 -12.891 -6.456 1.00 0.00 H new ATOM 0 HD13 LEU A 75 66.161 -12.677 -7.060 1.00 0.00 H new ATOM 0 HD21 LEU A 75 66.194 -15.068 -8.987 1.00 0.00 H new ATOM 0 HD22 LEU A 75 65.574 -13.452 -9.398 1.00 0.00 H new ATOM 0 HD23 LEU A 75 66.828 -14.208 -10.410 1.00 0.00 H new TER 1196 LEU A 75