USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 978 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 70 GLN : amide:sc= -2.53 K(o=-2.5,f=-4!) USER MOD Set 1.2: A 97 SER OG : rot 180:sc= 0.0414 USER MOD Set 2.1: A 80 THR OG1 : rot -98:sc= 0.863 USER MOD Set 2.2: A 90 TYR OH : rot -169:sc= -0.0619 USER MOD Set 3.1: A 52 GLN : amide:sc= 0.987 K(o=2.3,f=-1.3) USER MOD Set 3.2: A 116 THR OG1 : rot -107:sc= 1.28 USER MOD Set 4.1: A 37 GLN :FLIP amide:sc= 0.0599 F(o=-1.3!,f=2.2) USER MOD Set 4.2: A 107 THR OG1 : rot 92:sc= 2.15 USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ 153:sc= -0.184 (180deg=-1.02) USER MOD Single : A 3 HIS : no HD1:sc= -0.126 X(o=-0.13,f=-0.2) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0672) USER MOD Single : A 7 LYS NZ :NH3+ -159:sc= -0.0302 (180deg=-0.203) USER MOD Single : A 12 ASN : amide:sc= -0.015 X(o=-0.015,f=-0.22) USER MOD Single : A 16 HIS : no HD1:sc= -0.351 X(o=-0.35,f=-0.58) USER MOD Single : A 21 GLN : amide:sc= -0.825 K(o=-0.82,f=-1.7) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=-0.0093) USER MOD Single : A 28 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.115) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -10.6! C(o=-11!,f=-13!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.473 K(o=-0.47,f=-1.3) USER MOD Single : A 44 ASN : amide:sc= -2.19 K(o=-2.2,f=-5.9!) USER MOD Single : A 46 ASN : amide:sc= -0.536 K(o=-0.54,f=-1.3) USER MOD Single : A 47 LYS NZ :NH3+ -158:sc= 1.27 (180deg=0.692) USER MOD Single : A 48 SER OG : rot 180:sc= 0.312 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -162:sc= -0.0525 (180deg=-0.474) USER MOD Single : A 63 CYS SG : rot -33:sc= 0.57 USER MOD Single : A 65 MET CE :methyl -151:sc= -5! (180deg=-5.79!) USER MOD Single : A 78 LYS NZ :NH3+ 166:sc=-0.00744 (180deg=-0.144) USER MOD Single : A 83 ASN : amide:sc= -0.531 X(o=-0.53,f=-0.2) USER MOD Single : A 89 ASN : amide:sc= -0.0418 K(o=-0.042,f=-2.2) USER MOD Single : A 94 GLN : amide:sc=-9.45e-05 K(o=-9.5e-05,f=-0.88) USER MOD Single : A 95 THR OG1 : rot 81:sc= 1.24 USER MOD Single : A 98 LYS NZ :NH3+ 140:sc= -0.223 (180deg=-1.1) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0102) USER MOD Single : A 109 GLN : amide:sc=-0.00357 K(o=-0.0036,f=-1.2) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ -166:sc= -0.0473 (180deg=-0.322) USER MOD Single : A 115 GLN : amide:sc= -0.26 K(o=-0.26,f=-1.4!) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0.049) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 8.618 1.126 -18.053 1.00 0.00 N ATOM 2 CA GLN A 1 8.824 1.937 -16.858 1.00 0.00 C ATOM 3 C GLN A 1 8.356 3.370 -17.085 1.00 0.00 C ATOM 4 O GLN A 1 9.005 4.320 -16.650 1.00 0.00 O ATOM 5 CB GLN A 1 10.302 1.927 -16.460 1.00 0.00 C ATOM 6 CG GLN A 1 11.230 2.432 -17.552 1.00 0.00 C ATOM 7 CD GLN A 1 12.632 1.869 -17.433 1.00 0.00 C ATOM 8 OE1 GLN A 1 13.328 2.110 -16.446 1.00 0.00 O ATOM 9 NE2 GLN A 1 13.055 1.113 -18.440 1.00 0.00 N ATOM 0 H1 GLN A 1 9.310 0.349 -18.069 1.00 0.00 H new ATOM 0 H2 GLN A 1 7.655 0.732 -18.044 1.00 0.00 H new ATOM 0 H3 GLN A 1 8.742 1.717 -18.899 1.00 0.00 H new ATOM 0 HA GLN A 1 8.233 1.506 -16.050 1.00 0.00 H new ATOM 0 HB2 GLN A 1 10.434 2.542 -15.570 1.00 0.00 H new ATOM 0 HB3 GLN A 1 10.590 0.911 -16.191 1.00 0.00 H new ATOM 0 HG2 GLN A 1 10.818 2.167 -18.525 1.00 0.00 H new ATOM 0 HG3 GLN A 1 11.275 3.520 -17.511 1.00 0.00 H new ATOM 0 HE21 GLN A 1 12.445 0.939 -19.239 1.00 0.00 H new ATOM 0 HE22 GLN A 1 13.990 0.706 -18.415 1.00 0.00 H new ATOM 18 N GLU A 2 7.227 3.517 -17.770 1.00 0.00 N ATOM 19 CA GLU A 2 6.673 4.836 -18.056 1.00 0.00 C ATOM 20 C GLU A 2 6.064 5.454 -16.801 1.00 0.00 C ATOM 21 O GLU A 2 5.422 4.766 -16.005 1.00 0.00 O ATOM 22 CB GLU A 2 5.614 4.741 -19.156 1.00 0.00 C ATOM 23 CG GLU A 2 6.089 4.002 -20.396 1.00 0.00 C ATOM 24 CD GLU A 2 7.345 4.607 -20.991 1.00 0.00 C ATOM 25 OE1 GLU A 2 8.441 4.347 -20.452 1.00 0.00 O ATOM 26 OE2 GLU A 2 7.233 5.341 -21.995 1.00 0.00 O ATOM 0 H GLU A 2 6.678 2.740 -18.137 1.00 0.00 H new ATOM 0 HA GLU A 2 7.486 5.477 -18.398 1.00 0.00 H new ATOM 0 HB2 GLU A 2 4.733 4.237 -18.758 1.00 0.00 H new ATOM 0 HB3 GLU A 2 5.305 5.747 -19.439 1.00 0.00 H new ATOM 0 HG2 GLU A 2 6.278 2.959 -20.142 1.00 0.00 H new ATOM 0 HG3 GLU A 2 5.297 4.010 -21.145 1.00 0.00 H new ATOM 33 N HIS A 3 6.270 6.755 -16.630 1.00 0.00 N ATOM 34 CA HIS A 3 5.742 7.467 -15.471 1.00 0.00 C ATOM 35 C HIS A 3 4.308 7.926 -15.723 1.00 0.00 C ATOM 36 O HIS A 3 3.777 7.765 -16.822 1.00 0.00 O ATOM 37 CB HIS A 3 6.624 8.671 -15.139 1.00 0.00 C ATOM 38 CG HIS A 3 6.660 9.704 -16.222 1.00 0.00 C ATOM 39 ND1 HIS A 3 5.783 10.766 -16.279 1.00 0.00 N ATOM 40 CD2 HIS A 3 7.476 9.836 -17.293 1.00 0.00 C ATOM 41 CE1 HIS A 3 6.055 11.505 -17.339 1.00 0.00 C ATOM 42 NE2 HIS A 3 7.080 10.962 -17.972 1.00 0.00 N ATOM 0 H HIS A 3 6.799 7.338 -17.279 1.00 0.00 H new ATOM 0 HA HIS A 3 5.743 6.782 -14.623 1.00 0.00 H new ATOM 0 HB2 HIS A 3 6.263 9.133 -14.220 1.00 0.00 H new ATOM 0 HB3 HIS A 3 7.639 8.325 -14.945 1.00 0.00 H new ATOM 0 HD2 HIS A 3 8.288 9.178 -17.564 1.00 0.00 H new ATOM 0 HE1 HIS A 3 5.530 12.400 -17.638 1.00 0.00 H new ATOM 0 HE2 HIS A 3 7.507 11.321 -18.826 1.00 0.00 H new ATOM 50 N LYS A 4 3.687 8.500 -14.697 1.00 0.00 N ATOM 51 CA LYS A 4 2.316 8.984 -14.806 1.00 0.00 C ATOM 52 C LYS A 4 2.247 10.485 -14.546 1.00 0.00 C ATOM 53 O LYS A 4 3.147 11.078 -13.953 1.00 0.00 O ATOM 54 CB LYS A 4 1.412 8.241 -13.819 1.00 0.00 C ATOM 55 CG LYS A 4 0.824 6.958 -14.380 1.00 0.00 C ATOM 56 CD LYS A 4 -0.204 6.357 -13.436 1.00 0.00 C ATOM 57 CE LYS A 4 0.458 5.730 -12.218 1.00 0.00 C ATOM 58 NZ LYS A 4 -0.441 5.743 -11.031 1.00 0.00 N ATOM 0 H LYS A 4 4.112 8.641 -13.781 1.00 0.00 H new ATOM 0 HA LYS A 4 1.969 8.793 -15.821 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.984 8.006 -12.921 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.599 8.901 -13.516 1.00 0.00 H new ATOM 0 HG2 LYS A 4 0.359 7.161 -15.345 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.622 6.237 -14.557 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -0.901 7.131 -13.115 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -0.787 5.602 -13.964 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.742 4.703 -12.447 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.376 6.270 -11.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 0.046 5.307 -10.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.692 6.725 -10.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -1.306 5.206 -11.245 1.00 0.00 H new ATOM 72 N PRO A 5 1.151 11.114 -14.998 1.00 0.00 N ATOM 73 CA PRO A 5 0.938 12.554 -14.824 1.00 0.00 C ATOM 74 C PRO A 5 0.672 12.929 -13.370 1.00 0.00 C ATOM 75 O PRO A 5 0.814 12.102 -12.468 1.00 0.00 O ATOM 76 CB PRO A 5 -0.297 12.836 -15.683 1.00 0.00 C ATOM 77 CG PRO A 5 -1.022 11.536 -15.743 1.00 0.00 C ATOM 78 CD PRO A 5 0.038 10.469 -15.714 1.00 0.00 C ATOM 0 HA PRO A 5 1.815 13.133 -15.111 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -0.918 13.615 -15.240 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -0.017 13.179 -16.679 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -1.705 11.431 -14.900 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -1.622 11.465 -16.650 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -0.307 9.574 -15.197 1.00 0.00 H new ATOM 0 HD3 PRO A 5 0.329 10.165 -16.719 1.00 0.00 H new ATOM 86 N LYS A 6 0.286 14.180 -13.148 1.00 0.00 N ATOM 87 CA LYS A 6 -0.002 14.665 -11.802 1.00 0.00 C ATOM 88 C LYS A 6 -1.213 15.593 -11.806 1.00 0.00 C ATOM 89 O LYS A 6 -1.350 16.447 -12.681 1.00 0.00 O ATOM 90 CB LYS A 6 1.215 15.398 -11.231 1.00 0.00 C ATOM 91 CG LYS A 6 1.127 15.647 -9.735 1.00 0.00 C ATOM 92 CD LYS A 6 1.722 14.494 -8.943 1.00 0.00 C ATOM 93 CE LYS A 6 3.239 14.579 -8.888 1.00 0.00 C ATOM 94 NZ LYS A 6 3.701 15.639 -7.949 1.00 0.00 N ATOM 0 H LYS A 6 0.165 14.878 -13.882 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.228 13.804 -11.173 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.112 14.815 -11.442 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.327 16.353 -11.744 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.652 16.569 -9.487 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.085 15.787 -9.449 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.319 14.501 -7.930 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.426 13.548 -9.397 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.646 13.616 -8.578 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.628 14.783 -9.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 4.725 15.545 -7.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 3.496 16.575 -8.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 3.205 15.538 -7.041 1.00 0.00 H new ATOM 108 N LYS A 7 -2.087 15.421 -10.820 1.00 0.00 N ATOM 109 CA LYS A 7 -3.285 16.243 -10.707 1.00 0.00 C ATOM 110 C LYS A 7 -3.254 17.076 -9.431 1.00 0.00 C ATOM 111 O LYS A 7 -2.546 16.747 -8.479 1.00 0.00 O ATOM 112 CB LYS A 7 -4.537 15.363 -10.725 1.00 0.00 C ATOM 113 CG LYS A 7 -5.745 16.036 -11.353 1.00 0.00 C ATOM 114 CD LYS A 7 -7.043 15.531 -10.746 1.00 0.00 C ATOM 115 CE LYS A 7 -7.608 14.359 -11.533 1.00 0.00 C ATOM 116 NZ LYS A 7 -8.137 14.784 -12.858 1.00 0.00 N ATOM 0 H LYS A 7 -1.987 14.719 -10.087 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.313 16.920 -11.561 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.318 14.445 -11.271 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.783 15.075 -9.703 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.674 17.115 -11.216 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.748 15.851 -12.427 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -6.869 15.227 -9.714 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.773 16.340 -10.722 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.830 13.609 -11.676 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -8.405 13.886 -10.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.812 14.074 -13.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.618 15.701 -12.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.351 14.875 -13.533 1.00 0.00 H new ATOM 130 N ASP A 8 -4.028 18.157 -9.416 1.00 0.00 N ATOM 131 CA ASP A 8 -4.091 19.036 -8.253 1.00 0.00 C ATOM 132 C ASP A 8 -4.391 18.241 -6.986 1.00 0.00 C ATOM 133 O ASP A 8 -4.733 17.060 -7.049 1.00 0.00 O ATOM 134 CB ASP A 8 -5.158 20.113 -8.459 1.00 0.00 C ATOM 135 CG ASP A 8 -6.549 19.624 -8.106 1.00 0.00 C ATOM 136 OD1 ASP A 8 -6.988 18.611 -8.689 1.00 0.00 O ATOM 137 OD2 ASP A 8 -7.199 20.256 -7.246 1.00 0.00 O ATOM 0 H ASP A 8 -4.620 18.445 -10.195 1.00 0.00 H new ATOM 0 HA ASP A 8 -3.119 19.515 -8.137 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -4.916 20.982 -7.848 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.144 20.440 -9.499 1.00 0.00 H new ATOM 142 N ASP A 9 -4.259 18.896 -5.838 1.00 0.00 N ATOM 143 CA ASP A 9 -4.516 18.251 -4.556 1.00 0.00 C ATOM 144 C ASP A 9 -5.960 17.766 -4.471 1.00 0.00 C ATOM 145 O ASP A 9 -6.216 16.574 -4.294 1.00 0.00 O ATOM 146 CB ASP A 9 -4.221 19.217 -3.407 1.00 0.00 C ATOM 147 CG ASP A 9 -3.883 18.495 -2.118 1.00 0.00 C ATOM 148 OD1 ASP A 9 -4.352 17.352 -1.935 1.00 0.00 O ATOM 149 OD2 ASP A 9 -3.148 19.073 -1.291 1.00 0.00 O ATOM 0 H ASP A 9 -3.975 19.873 -5.769 1.00 0.00 H new ATOM 0 HA ASP A 9 -3.856 17.387 -4.473 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -3.391 19.866 -3.685 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -5.087 19.859 -3.244 1.00 0.00 H new ATOM 154 N PHE A 10 -6.900 18.696 -4.597 1.00 0.00 N ATOM 155 CA PHE A 10 -8.318 18.364 -4.533 1.00 0.00 C ATOM 156 C PHE A 10 -8.644 17.621 -3.240 1.00 0.00 C ATOM 157 O PHE A 10 -9.257 16.553 -3.263 1.00 0.00 O ATOM 158 CB PHE A 10 -8.719 17.512 -5.739 1.00 0.00 C ATOM 159 CG PHE A 10 -10.118 17.775 -6.220 1.00 0.00 C ATOM 160 CD1 PHE A 10 -10.517 19.057 -6.560 1.00 0.00 C ATOM 161 CD2 PHE A 10 -11.032 16.740 -6.333 1.00 0.00 C ATOM 162 CE1 PHE A 10 -11.804 19.303 -7.003 1.00 0.00 C ATOM 163 CE2 PHE A 10 -12.319 16.979 -6.776 1.00 0.00 C ATOM 164 CZ PHE A 10 -12.706 18.262 -7.111 1.00 0.00 C ATOM 0 H PHE A 10 -6.705 19.686 -4.744 1.00 0.00 H new ATOM 0 HA PHE A 10 -8.885 19.295 -4.550 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -8.021 17.700 -6.555 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -8.626 16.458 -5.477 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -9.815 19.874 -6.478 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -10.735 15.735 -6.072 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -12.103 20.307 -7.264 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -13.022 16.163 -6.860 1.00 0.00 H new ATOM 0 HZ PHE A 10 -13.712 18.451 -7.457 1.00 0.00 H new ATOM 174 N ARG A 11 -8.231 18.195 -2.115 1.00 0.00 N ATOM 175 CA ARG A 11 -8.478 17.588 -0.813 1.00 0.00 C ATOM 176 C ARG A 11 -9.825 18.033 -0.252 1.00 0.00 C ATOM 177 O ARG A 11 -10.573 17.230 0.303 1.00 0.00 O ATOM 178 CB ARG A 11 -7.360 17.955 0.165 1.00 0.00 C ATOM 179 CG ARG A 11 -7.253 17.011 1.351 1.00 0.00 C ATOM 180 CD ARG A 11 -6.041 17.334 2.212 1.00 0.00 C ATOM 181 NE ARG A 11 -5.956 18.758 2.525 1.00 0.00 N ATOM 182 CZ ARG A 11 -4.896 19.322 3.092 1.00 0.00 C ATOM 183 NH1 ARG A 11 -3.837 18.589 3.405 1.00 0.00 N ATOM 184 NH2 ARG A 11 -4.893 20.626 3.345 1.00 0.00 N ATOM 0 H ARG A 11 -7.724 19.079 -2.079 1.00 0.00 H new ATOM 0 HA ARG A 11 -8.498 16.506 -0.943 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.410 17.963 -0.369 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.528 18.968 0.532 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -8.158 17.079 1.955 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.184 15.983 0.994 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.091 16.762 3.138 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.134 17.022 1.693 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.754 19.351 2.296 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -3.834 17.588 3.210 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -3.025 19.026 3.840 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.705 21.194 3.104 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -4.079 21.059 3.781 1.00 0.00 H new ATOM 198 N ASN A 12 -10.127 19.319 -0.400 1.00 0.00 N ATOM 199 CA ASN A 12 -11.383 19.872 0.092 1.00 0.00 C ATOM 200 C ASN A 12 -11.521 19.654 1.597 1.00 0.00 C ATOM 201 O ASN A 12 -12.604 19.352 2.093 1.00 0.00 O ATOM 202 CB ASN A 12 -12.567 19.231 -0.636 1.00 0.00 C ATOM 203 CG ASN A 12 -12.805 19.846 -2.002 1.00 0.00 C ATOM 204 OD1 ASN A 12 -12.880 21.066 -2.141 1.00 0.00 O ATOM 205 ND2 ASN A 12 -12.926 18.999 -3.018 1.00 0.00 N ATOM 0 H ASN A 12 -9.518 19.998 -0.857 1.00 0.00 H new ATOM 0 HA ASN A 12 -11.380 20.944 -0.105 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -12.386 18.162 -0.748 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -13.466 19.340 -0.029 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -13.088 19.353 -3.961 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -12.857 17.994 -2.856 1.00 0.00 H new ATOM 212 N GLU A 13 -10.413 19.813 2.315 1.00 0.00 N ATOM 213 CA GLU A 13 -10.410 19.634 3.762 1.00 0.00 C ATOM 214 C GLU A 13 -11.271 20.694 4.444 1.00 0.00 C ATOM 215 O GLU A 13 -11.750 20.498 5.560 1.00 0.00 O ATOM 216 CB GLU A 13 -8.981 19.697 4.304 1.00 0.00 C ATOM 217 CG GLU A 13 -8.808 19.008 5.647 1.00 0.00 C ATOM 218 CD GLU A 13 -7.405 19.159 6.204 1.00 0.00 C ATOM 219 OE1 GLU A 13 -6.471 18.558 5.632 1.00 0.00 O ATOM 220 OE2 GLU A 13 -7.241 19.879 7.211 1.00 0.00 O ATOM 0 H GLU A 13 -9.508 20.065 1.919 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.831 18.653 3.981 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.307 19.239 3.581 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.684 20.741 4.400 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.524 19.421 6.358 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.040 17.948 5.540 1.00 0.00 H new ATOM 227 N PHE A 14 -11.461 21.819 3.763 1.00 0.00 N ATOM 228 CA PHE A 14 -12.263 22.913 4.302 1.00 0.00 C ATOM 229 C PHE A 14 -13.627 22.410 4.762 1.00 0.00 C ATOM 230 O PHE A 14 -13.887 22.295 5.960 1.00 0.00 O ATOM 231 CB PHE A 14 -12.439 24.010 3.250 1.00 0.00 C ATOM 232 CG PHE A 14 -11.227 24.882 3.085 1.00 0.00 C ATOM 233 CD1 PHE A 14 -10.788 25.685 4.126 1.00 0.00 C ATOM 234 CD2 PHE A 14 -10.526 24.899 1.890 1.00 0.00 C ATOM 235 CE1 PHE A 14 -9.674 26.488 3.976 1.00 0.00 C ATOM 236 CE2 PHE A 14 -9.412 25.700 1.735 1.00 0.00 C ATOM 237 CZ PHE A 14 -8.984 26.496 2.780 1.00 0.00 C ATOM 0 H PHE A 14 -11.071 21.998 2.838 1.00 0.00 H new ATOM 0 HA PHE A 14 -11.738 23.326 5.163 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -12.678 23.549 2.292 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -13.290 24.633 3.525 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.323 25.683 5.064 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -10.855 24.278 1.070 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -9.343 27.110 4.795 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -8.876 25.704 0.798 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.112 27.123 2.662 1.00 0.00 H new ATOM 247 N ASP A 15 -14.497 22.114 3.803 1.00 0.00 N ATOM 248 CA ASP A 15 -15.836 21.622 4.109 1.00 0.00 C ATOM 249 C ASP A 15 -15.774 20.434 5.063 1.00 0.00 C ATOM 250 O ASP A 15 -16.378 20.453 6.136 1.00 0.00 O ATOM 251 CB ASP A 15 -16.562 21.224 2.823 1.00 0.00 C ATOM 252 CG ASP A 15 -16.900 22.419 1.955 1.00 0.00 C ATOM 253 OD1 ASP A 15 -17.342 23.449 2.507 1.00 0.00 O ATOM 254 OD2 ASP A 15 -16.723 22.326 0.722 1.00 0.00 O ATOM 0 H ASP A 15 -14.299 22.206 2.807 1.00 0.00 H new ATOM 0 HA ASP A 15 -16.390 22.425 4.595 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -15.939 20.532 2.257 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -17.479 20.692 3.077 1.00 0.00 H new ATOM 259 N HIS A 16 -15.041 19.399 4.665 1.00 0.00 N ATOM 260 CA HIS A 16 -14.901 18.201 5.484 1.00 0.00 C ATOM 261 C HIS A 16 -13.686 17.385 5.051 1.00 0.00 C ATOM 262 O HIS A 16 -12.977 17.758 4.114 1.00 0.00 O ATOM 263 CB HIS A 16 -16.164 17.344 5.393 1.00 0.00 C ATOM 264 CG HIS A 16 -17.147 17.609 6.491 1.00 0.00 C ATOM 265 ND1 HIS A 16 -16.779 17.749 7.813 1.00 0.00 N ATOM 266 CD2 HIS A 16 -18.491 17.760 6.458 1.00 0.00 C ATOM 267 CE1 HIS A 16 -17.855 17.973 8.546 1.00 0.00 C ATOM 268 NE2 HIS A 16 -18.907 17.985 7.748 1.00 0.00 N ATOM 0 H HIS A 16 -14.535 19.366 3.780 1.00 0.00 H new ATOM 0 HA HIS A 16 -14.757 18.513 6.518 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -16.647 17.524 4.433 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -15.882 16.291 5.415 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -19.120 17.713 5.581 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -17.871 18.121 9.616 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -19.872 18.137 8.042 1.00 0.00 H new ATOM 276 N LEU A 17 -13.452 16.272 5.737 1.00 0.00 N ATOM 277 CA LEU A 17 -12.323 15.404 5.424 1.00 0.00 C ATOM 278 C LEU A 17 -12.794 13.984 5.126 1.00 0.00 C ATOM 279 O LEU A 17 -12.024 13.028 5.232 1.00 0.00 O ATOM 280 CB LEU A 17 -11.326 15.390 6.584 1.00 0.00 C ATOM 281 CG LEU A 17 -11.127 16.720 7.313 1.00 0.00 C ATOM 282 CD1 LEU A 17 -12.154 16.878 8.424 1.00 0.00 C ATOM 283 CD2 LEU A 17 -9.715 16.815 7.871 1.00 0.00 C ATOM 0 H LEU A 17 -14.029 15.949 6.514 1.00 0.00 H new ATOM 0 HA LEU A 17 -11.830 15.798 4.535 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -11.654 14.646 7.310 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -10.360 15.059 6.203 1.00 0.00 H new ATOM 0 HG LEU A 17 -11.269 17.530 6.598 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -11.997 17.830 8.932 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -13.157 16.855 7.998 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -12.045 16.063 9.139 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -9.591 17.767 8.386 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.545 15.998 8.572 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.996 16.748 7.055 1.00 0.00 H new ATOM 295 N LEU A 18 -14.061 13.853 4.752 1.00 0.00 N ATOM 296 CA LEU A 18 -14.635 12.550 4.435 1.00 0.00 C ATOM 297 C LEU A 18 -14.008 11.970 3.172 1.00 0.00 C ATOM 298 O LEU A 18 -13.515 10.842 3.173 1.00 0.00 O ATOM 299 CB LEU A 18 -16.150 12.666 4.259 1.00 0.00 C ATOM 300 CG LEU A 18 -16.898 13.417 5.362 1.00 0.00 C ATOM 301 CD1 LEU A 18 -18.198 13.996 4.826 1.00 0.00 C ATOM 302 CD2 LEU A 18 -17.170 12.496 6.543 1.00 0.00 C ATOM 0 H LEU A 18 -14.711 14.633 4.661 1.00 0.00 H new ATOM 0 HA LEU A 18 -14.423 11.877 5.265 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -16.348 13.163 3.310 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -16.565 11.661 4.185 1.00 0.00 H new ATOM 0 HG LEU A 18 -16.271 14.240 5.705 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -18.717 14.527 5.625 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -17.980 14.688 4.012 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -18.831 13.189 4.456 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -17.703 13.046 7.318 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -17.777 11.653 6.214 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -16.225 12.129 6.943 1.00 0.00 H new ATOM 314 N ILE A 19 -14.029 12.749 2.096 1.00 0.00 N ATOM 315 CA ILE A 19 -13.460 12.315 0.826 1.00 0.00 C ATOM 316 C ILE A 19 -11.945 12.169 0.925 1.00 0.00 C ATOM 317 O ILE A 19 -11.391 11.119 0.603 1.00 0.00 O ATOM 318 CB ILE A 19 -13.796 13.299 -0.309 1.00 0.00 C ATOM 319 CG1 ILE A 19 -15.259 13.140 -0.734 1.00 0.00 C ATOM 320 CG2 ILE A 19 -12.868 13.079 -1.493 1.00 0.00 C ATOM 321 CD1 ILE A 19 -15.566 11.793 -1.349 1.00 0.00 C ATOM 0 H ILE A 19 -14.434 13.685 2.078 1.00 0.00 H new ATOM 0 HA ILE A 19 -13.903 11.346 0.597 1.00 0.00 H new ATOM 0 HB ILE A 19 -13.651 14.316 0.056 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -15.900 13.288 0.135 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -15.508 13.923 -1.450 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -13.118 13.782 -2.287 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -11.836 13.237 -1.181 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -12.984 12.060 -1.861 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -16.619 11.751 -1.626 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -14.951 11.650 -2.238 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -15.349 11.006 -0.627 1.00 0.00 H new ATOM 333 N GLU A 20 -11.282 13.230 1.374 1.00 0.00 N ATOM 334 CA GLU A 20 -9.831 13.219 1.515 1.00 0.00 C ATOM 335 C GLU A 20 -9.371 12.003 2.312 1.00 0.00 C ATOM 336 O GLU A 20 -8.356 11.384 1.989 1.00 0.00 O ATOM 337 CB GLU A 20 -9.353 14.502 2.200 1.00 0.00 C ATOM 338 CG GLU A 20 -9.726 14.582 3.671 1.00 0.00 C ATOM 339 CD GLU A 20 -8.697 13.926 4.570 1.00 0.00 C ATOM 340 OE1 GLU A 20 -7.489 14.058 4.283 1.00 0.00 O ATOM 341 OE2 GLU A 20 -9.098 13.281 5.562 1.00 0.00 O ATOM 0 H GLU A 20 -11.726 14.107 1.646 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.395 13.164 0.517 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.270 14.573 2.104 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.776 15.361 1.679 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -9.839 15.628 3.957 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.694 14.104 3.823 1.00 0.00 H new ATOM 348 N GLN A 21 -10.123 11.666 3.354 1.00 0.00 N ATOM 349 CA GLN A 21 -9.793 10.524 4.199 1.00 0.00 C ATOM 350 C GLN A 21 -10.027 9.213 3.456 1.00 0.00 C ATOM 351 O GLN A 21 -9.222 8.285 3.546 1.00 0.00 O ATOM 352 CB GLN A 21 -10.625 10.553 5.482 1.00 0.00 C ATOM 353 CG GLN A 21 -10.289 9.430 6.450 1.00 0.00 C ATOM 354 CD GLN A 21 -11.092 9.508 7.734 1.00 0.00 C ATOM 355 OE1 GLN A 21 -11.626 10.560 8.083 1.00 0.00 O ATOM 356 NE2 GLN A 21 -11.181 8.389 8.445 1.00 0.00 N ATOM 0 H GLN A 21 -10.966 12.168 3.634 1.00 0.00 H new ATOM 0 HA GLN A 21 -8.737 10.590 4.459 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -10.474 11.510 5.982 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.682 10.493 5.221 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -10.475 8.471 5.967 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -9.226 9.466 6.688 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -10.722 7.539 8.118 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -11.708 8.380 9.318 1.00 0.00 H new ATOM 365 N ALA A 22 -11.134 9.143 2.724 1.00 0.00 N ATOM 366 CA ALA A 22 -11.474 7.945 1.965 1.00 0.00 C ATOM 367 C ALA A 22 -10.445 7.680 0.871 1.00 0.00 C ATOM 368 O ALA A 22 -9.978 6.553 0.706 1.00 0.00 O ATOM 369 CB ALA A 22 -12.865 8.077 1.364 1.00 0.00 C ATOM 0 H ALA A 22 -11.811 9.902 2.640 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.466 7.096 2.649 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.105 7.175 0.800 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.595 8.211 2.162 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.893 8.939 0.698 1.00 0.00 H new ATOM 375 N ASN A 23 -10.097 8.724 0.125 1.00 0.00 N ATOM 376 CA ASN A 23 -9.125 8.602 -0.955 1.00 0.00 C ATOM 377 C ASN A 23 -7.755 8.208 -0.411 1.00 0.00 C ATOM 378 O ASN A 23 -7.060 7.374 -0.994 1.00 0.00 O ATOM 379 CB ASN A 23 -9.021 9.919 -1.727 1.00 0.00 C ATOM 380 CG ASN A 23 -9.281 9.742 -3.209 1.00 0.00 C ATOM 381 OD1 ASN A 23 -8.451 9.193 -3.935 1.00 0.00 O ATOM 382 ND2 ASN A 23 -10.436 10.209 -3.668 1.00 0.00 N ATOM 0 H ASN A 23 -10.474 9.664 0.249 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.467 7.819 -1.632 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -9.735 10.634 -1.318 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -8.027 10.344 -1.583 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.665 10.120 -4.658 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -11.094 10.657 -3.031 1.00 0.00 H new ATOM 389 N HIS A 24 -7.372 8.814 0.708 1.00 0.00 N ATOM 390 CA HIS A 24 -6.085 8.526 1.331 1.00 0.00 C ATOM 391 C HIS A 24 -6.008 7.067 1.770 1.00 0.00 C ATOM 392 O HIS A 24 -5.003 6.393 1.545 1.00 0.00 O ATOM 393 CB HIS A 24 -5.859 9.445 2.533 1.00 0.00 C ATOM 394 CG HIS A 24 -4.508 9.290 3.160 1.00 0.00 C ATOM 395 ND1 HIS A 24 -4.324 9.103 4.513 1.00 0.00 N ATOM 396 CD2 HIS A 24 -3.271 9.292 2.610 1.00 0.00 C ATOM 397 CE1 HIS A 24 -3.031 9.001 4.768 1.00 0.00 C ATOM 398 NE2 HIS A 24 -2.371 9.111 3.631 1.00 0.00 N ATOM 0 H HIS A 24 -7.934 9.507 1.202 1.00 0.00 H new ATOM 0 HA HIS A 24 -5.304 8.707 0.593 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -5.987 10.480 2.217 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -6.624 9.243 3.283 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.036 9.413 1.563 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -2.590 8.853 5.742 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -1.357 9.069 3.527 1.00 0.00 H new ATOM 406 N ALA A 25 -7.076 6.586 2.398 1.00 0.00 N ATOM 407 CA ALA A 25 -7.130 5.207 2.868 1.00 0.00 C ATOM 408 C ALA A 25 -7.015 4.227 1.705 1.00 0.00 C ATOM 409 O ALA A 25 -6.182 3.320 1.726 1.00 0.00 O ATOM 410 CB ALA A 25 -8.417 4.962 3.642 1.00 0.00 C ATOM 0 H ALA A 25 -7.916 7.131 2.593 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.283 5.043 3.534 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.443 3.928 3.987 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.458 5.632 4.501 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.273 5.150 2.994 1.00 0.00 H new ATOM 416 N ILE A 26 -7.856 4.414 0.694 1.00 0.00 N ATOM 417 CA ILE A 26 -7.848 3.546 -0.477 1.00 0.00 C ATOM 418 C ILE A 26 -6.539 3.678 -1.249 1.00 0.00 C ATOM 419 O ILE A 26 -6.070 2.718 -1.860 1.00 0.00 O ATOM 420 CB ILE A 26 -9.022 3.863 -1.422 1.00 0.00 C ATOM 421 CG1 ILE A 26 -8.875 5.272 -2.000 1.00 0.00 C ATOM 422 CG2 ILE A 26 -10.346 3.723 -0.685 1.00 0.00 C ATOM 423 CD1 ILE A 26 -9.990 5.657 -2.945 1.00 0.00 C ATOM 0 H ILE A 26 -8.552 5.159 0.662 1.00 0.00 H new ATOM 0 HA ILE A 26 -7.952 2.524 -0.113 1.00 0.00 H new ATOM 0 HB ILE A 26 -9.009 3.150 -2.246 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.840 5.990 -1.181 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.923 5.342 -2.526 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -11.167 3.950 -1.365 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -10.451 2.702 -0.317 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -10.369 4.416 0.156 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.820 6.668 -3.316 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -10.012 4.962 -3.784 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -10.943 5.619 -2.418 1.00 0.00 H new ATOM 435 N GLU A 27 -5.956 4.871 -1.215 1.00 0.00 N ATOM 436 CA GLU A 27 -4.701 5.127 -1.911 1.00 0.00 C ATOM 437 C GLU A 27 -3.573 4.278 -1.330 1.00 0.00 C ATOM 438 O GLU A 27 -2.881 3.564 -2.056 1.00 0.00 O ATOM 439 CB GLU A 27 -4.335 6.610 -1.822 1.00 0.00 C ATOM 440 CG GLU A 27 -4.866 7.439 -2.980 1.00 0.00 C ATOM 441 CD GLU A 27 -4.133 7.165 -4.278 1.00 0.00 C ATOM 442 OE1 GLU A 27 -3.350 6.193 -4.323 1.00 0.00 O ATOM 443 OE2 GLU A 27 -4.340 7.922 -5.248 1.00 0.00 O ATOM 0 H GLU A 27 -6.332 5.675 -0.713 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.835 4.856 -2.958 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.723 7.016 -0.888 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.250 6.706 -1.785 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.927 7.230 -3.115 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.779 8.497 -2.734 1.00 0.00 H new ATOM 450 N LYS A 28 -3.395 4.361 -0.016 1.00 0.00 N ATOM 451 CA LYS A 28 -2.353 3.601 0.665 1.00 0.00 C ATOM 452 C LYS A 28 -2.590 2.101 0.517 1.00 0.00 C ATOM 453 O LYS A 28 -1.671 1.346 0.200 1.00 0.00 O ATOM 454 CB LYS A 28 -2.305 3.977 2.146 1.00 0.00 C ATOM 455 CG LYS A 28 -1.374 3.102 2.966 1.00 0.00 C ATOM 456 CD LYS A 28 -1.419 3.467 4.441 1.00 0.00 C ATOM 457 CE LYS A 28 -0.291 2.802 5.214 1.00 0.00 C ATOM 458 NZ LYS A 28 -0.293 1.323 5.039 1.00 0.00 N ATOM 0 H LYS A 28 -3.959 4.947 0.599 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.397 3.847 0.203 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.988 5.016 2.238 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.311 3.912 2.561 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.653 2.056 2.841 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.354 3.207 2.595 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.349 4.549 4.551 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.378 3.165 4.863 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.665 3.206 4.880 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.386 3.042 6.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.389 0.895 5.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.244 0.951 5.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.026 1.089 4.062 1.00 0.00 H new ATOM 472 N GLY A 29 -3.828 1.676 0.750 1.00 0.00 N ATOM 473 CA GLY A 29 -4.163 0.269 0.636 1.00 0.00 C ATOM 474 C GLY A 29 -4.007 -0.253 -0.779 1.00 0.00 C ATOM 475 O GLY A 29 -3.647 -1.412 -0.983 1.00 0.00 O ATOM 0 H GLY A 29 -4.605 2.281 1.016 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.525 -0.308 1.305 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.191 0.116 0.965 1.00 0.00 H new ATOM 479 N GLU A 30 -4.280 0.605 -1.757 1.00 0.00 N ATOM 480 CA GLU A 30 -4.171 0.222 -3.160 1.00 0.00 C ATOM 481 C GLU A 30 -2.711 0.026 -3.558 1.00 0.00 C ATOM 482 O GLU A 30 -2.364 -0.945 -4.230 1.00 0.00 O ATOM 483 CB GLU A 30 -4.815 1.284 -4.053 1.00 0.00 C ATOM 484 CG GLU A 30 -4.817 0.920 -5.528 1.00 0.00 C ATOM 485 CD GLU A 30 -3.630 1.499 -6.273 1.00 0.00 C ATOM 486 OE1 GLU A 30 -2.694 1.989 -5.607 1.00 0.00 O ATOM 487 OE2 GLU A 30 -3.637 1.462 -7.521 1.00 0.00 O ATOM 0 H GLU A 30 -4.578 1.568 -1.604 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.697 -0.723 -3.294 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.842 1.447 -3.726 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.285 2.227 -3.921 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.812 -0.165 -5.631 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.739 1.279 -5.986 1.00 0.00 H new ATOM 494 N HIS A 31 -1.859 0.957 -3.139 1.00 0.00 N ATOM 495 CA HIS A 31 -0.436 0.888 -3.451 1.00 0.00 C ATOM 496 C HIS A 31 0.203 -0.337 -2.804 1.00 0.00 C ATOM 497 O HIS A 31 0.833 -1.150 -3.480 1.00 0.00 O ATOM 498 CB HIS A 31 0.274 2.157 -2.980 1.00 0.00 C ATOM 499 CG HIS A 31 1.757 2.127 -3.189 1.00 0.00 C ATOM 500 ND1 HIS A 31 2.663 2.426 -2.194 1.00 0.00 N ATOM 501 CD2 HIS A 31 2.491 1.829 -4.287 1.00 0.00 C ATOM 502 CE1 HIS A 31 3.890 2.316 -2.671 1.00 0.00 C ATOM 503 NE2 HIS A 31 3.813 1.953 -3.940 1.00 0.00 N ATOM 0 H HIS A 31 -2.130 1.768 -2.583 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.330 0.803 -4.533 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -0.142 3.014 -3.510 1.00 0.00 H new ATOM 0 HB3 HIS A 31 0.068 2.307 -1.920 1.00 0.00 H new ATOM 0 HD2 HIS A 31 2.107 1.546 -5.256 1.00 0.00 H new ATOM 0 HE1 HIS A 31 4.801 2.493 -2.118 1.00 0.00 H new ATOM 0 HE2 HIS A 31 4.607 1.791 -4.560 1.00 0.00 H new ATOM 511 N GLN A 32 0.036 -0.462 -1.491 1.00 0.00 N ATOM 512 CA GLN A 32 0.598 -1.586 -0.752 1.00 0.00 C ATOM 513 C GLN A 32 0.080 -2.911 -1.302 1.00 0.00 C ATOM 514 O GLN A 32 0.831 -3.880 -1.427 1.00 0.00 O ATOM 515 CB GLN A 32 0.258 -1.468 0.734 1.00 0.00 C ATOM 516 CG GLN A 32 -1.235 -1.471 1.018 1.00 0.00 C ATOM 517 CD GLN A 32 -1.785 -2.866 1.238 1.00 0.00 C ATOM 518 OE1 GLN A 32 -2.771 -3.263 0.617 1.00 0.00 O ATOM 519 NE2 GLN A 32 -1.148 -3.622 2.127 1.00 0.00 N ATOM 0 H GLN A 32 -0.484 0.202 -0.917 1.00 0.00 H new ATOM 0 HA GLN A 32 1.681 -1.563 -0.871 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.723 -2.294 1.271 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.692 -0.548 1.126 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.434 -0.863 1.900 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -1.760 -1.005 0.184 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -0.334 -3.254 2.620 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -1.473 -4.570 2.316 1.00 0.00 H new ATOM 528 N LEU A 33 -1.207 -2.947 -1.629 1.00 0.00 N ATOM 529 CA LEU A 33 -1.827 -4.154 -2.165 1.00 0.00 C ATOM 530 C LEU A 33 -1.175 -4.562 -3.482 1.00 0.00 C ATOM 531 O LEU A 33 -0.755 -5.708 -3.651 1.00 0.00 O ATOM 532 CB LEU A 33 -3.327 -3.933 -2.371 1.00 0.00 C ATOM 533 CG LEU A 33 -4.072 -5.040 -3.118 1.00 0.00 C ATOM 534 CD1 LEU A 33 -3.958 -4.841 -4.621 1.00 0.00 C ATOM 535 CD2 LEU A 33 -3.536 -6.407 -2.717 1.00 0.00 C ATOM 0 H LEU A 33 -1.842 -2.154 -1.532 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.681 -4.959 -1.444 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.793 -3.805 -1.394 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.465 -2.999 -2.915 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.126 -4.990 -2.845 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.494 -5.638 -5.135 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.390 -3.878 -4.894 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.908 -4.863 -4.912 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.077 -7.183 -3.258 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.475 -6.468 -2.960 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.671 -6.551 -1.645 1.00 0.00 H new ATOM 547 N LEU A 34 -1.092 -3.617 -4.412 1.00 0.00 N ATOM 548 CA LEU A 34 -0.488 -3.877 -5.715 1.00 0.00 C ATOM 549 C LEU A 34 0.916 -4.452 -5.560 1.00 0.00 C ATOM 550 O LEU A 34 1.290 -5.399 -6.254 1.00 0.00 O ATOM 551 CB LEU A 34 -0.436 -2.591 -6.541 1.00 0.00 C ATOM 552 CG LEU A 34 -1.729 -2.198 -7.255 1.00 0.00 C ATOM 553 CD1 LEU A 34 -1.555 -0.879 -7.990 1.00 0.00 C ATOM 554 CD2 LEU A 34 -2.160 -3.295 -8.219 1.00 0.00 C ATOM 0 H LEU A 34 -1.435 -2.664 -4.289 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.106 -4.610 -6.234 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.145 -1.772 -5.883 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.351 -2.695 -7.288 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.510 -2.071 -6.506 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.486 -0.617 -8.492 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.294 -0.097 -7.277 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.760 -0.976 -8.729 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.082 -2.999 -8.719 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.379 -3.453 -8.963 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.328 -4.220 -7.667 1.00 0.00 H new ATOM 566 N TYR A 35 1.687 -3.877 -4.644 1.00 0.00 N ATOM 567 CA TYR A 35 3.051 -4.332 -4.398 1.00 0.00 C ATOM 568 C TYR A 35 3.054 -5.691 -3.704 1.00 0.00 C ATOM 569 O TYR A 35 3.950 -6.508 -3.916 1.00 0.00 O ATOM 570 CB TYR A 35 3.806 -3.310 -3.546 1.00 0.00 C ATOM 571 CG TYR A 35 5.147 -3.805 -3.055 1.00 0.00 C ATOM 572 CD1 TYR A 35 5.254 -4.522 -1.870 1.00 0.00 C ATOM 573 CD2 TYR A 35 6.308 -3.556 -3.776 1.00 0.00 C ATOM 574 CE1 TYR A 35 6.477 -4.975 -1.416 1.00 0.00 C ATOM 575 CE2 TYR A 35 7.536 -4.006 -3.331 1.00 0.00 C ATOM 576 CZ TYR A 35 7.615 -4.715 -2.151 1.00 0.00 C ATOM 577 OH TYR A 35 8.836 -5.166 -1.704 1.00 0.00 O ATOM 0 H TYR A 35 1.391 -3.095 -4.059 1.00 0.00 H new ATOM 0 HA TYR A 35 3.553 -4.434 -5.360 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.955 -2.402 -4.130 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.191 -3.040 -2.687 1.00 0.00 H new ATOM 0 HD1 TYR A 35 4.365 -4.729 -1.293 1.00 0.00 H new ATOM 0 HD2 TYR A 35 6.250 -3.001 -4.701 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.542 -5.529 -0.491 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.429 -3.804 -3.904 1.00 0.00 H new ATOM 0 HH TYR A 35 9.535 -4.900 -2.338 1.00 0.00 H new ATOM 587 N LEU A 36 2.044 -5.926 -2.873 1.00 0.00 N ATOM 588 CA LEU A 36 1.928 -7.185 -2.147 1.00 0.00 C ATOM 589 C LEU A 36 1.601 -8.334 -3.096 1.00 0.00 C ATOM 590 O LEU A 36 1.994 -9.476 -2.861 1.00 0.00 O ATOM 591 CB LEU A 36 0.849 -7.078 -1.067 1.00 0.00 C ATOM 592 CG LEU A 36 1.062 -7.932 0.183 1.00 0.00 C ATOM 593 CD1 LEU A 36 0.989 -9.411 -0.164 1.00 0.00 C ATOM 594 CD2 LEU A 36 2.396 -7.600 0.835 1.00 0.00 C ATOM 0 H LEU A 36 1.294 -5.261 -2.686 1.00 0.00 H new ATOM 0 HA LEU A 36 2.888 -7.391 -1.673 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.772 -6.035 -0.761 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.109 -7.351 -1.510 1.00 0.00 H new ATOM 0 HG LEU A 36 0.267 -7.707 0.894 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.143 -10.004 0.737 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.010 -9.638 -0.585 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.762 -9.652 -0.893 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.531 -8.217 1.723 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.204 -7.797 0.131 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.410 -6.548 1.119 1.00 0.00 H new ATOM 606 N GLN A 37 0.882 -8.020 -4.169 1.00 0.00 N ATOM 607 CA GLN A 37 0.504 -9.027 -5.155 1.00 0.00 C ATOM 608 C GLN A 37 1.721 -9.825 -5.612 1.00 0.00 C ATOM 609 O GLN A 37 1.621 -11.019 -5.897 1.00 0.00 O ATOM 610 CB GLN A 37 -0.167 -8.364 -6.359 1.00 0.00 C ATOM 611 CG GLN A 37 -1.440 -9.064 -6.808 1.00 0.00 C ATOM 612 CD GLN A 37 -2.435 -9.245 -5.679 1.00 0.00 C ATOM 613 OE1 GLN A 37 -3.179 -8.189 -5.370 1.00 0.00 O flip ATOM 614 NE2 GLN A 37 -2.536 -10.322 -5.091 1.00 0.00 N flip ATOM 0 H GLN A 37 0.550 -7.078 -4.378 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.202 -9.712 -4.686 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.400 -7.329 -6.110 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.538 -8.341 -7.190 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.905 -8.487 -7.608 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.187 -10.039 -7.224 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.944 -11.108 -5.361 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.211 -10.428 -4.334 1.00 0.00 H new ATOM 623 N HIS A 38 2.868 -9.159 -5.679 1.00 0.00 N ATOM 624 CA HIS A 38 4.105 -9.807 -6.101 1.00 0.00 C ATOM 625 C HIS A 38 4.521 -10.886 -5.105 1.00 0.00 C ATOM 626 O HIS A 38 4.727 -12.040 -5.478 1.00 0.00 O ATOM 627 CB HIS A 38 5.223 -8.775 -6.247 1.00 0.00 C ATOM 628 CG HIS A 38 6.202 -9.102 -7.332 1.00 0.00 C ATOM 629 ND1 HIS A 38 5.973 -8.821 -8.663 1.00 0.00 N ATOM 630 CD2 HIS A 38 7.421 -9.689 -7.277 1.00 0.00 C ATOM 631 CE1 HIS A 38 7.008 -9.222 -9.380 1.00 0.00 C ATOM 632 NE2 HIS A 38 7.901 -9.752 -8.563 1.00 0.00 N ATOM 0 H HIS A 38 2.968 -8.171 -5.447 1.00 0.00 H new ATOM 0 HA HIS A 38 3.927 -10.278 -7.068 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.781 -7.799 -6.449 1.00 0.00 H new ATOM 0 HB3 HIS A 38 5.757 -8.693 -5.300 1.00 0.00 H new ATOM 0 HD2 HIS A 38 7.923 -10.042 -6.388 1.00 0.00 H new ATOM 0 HE1 HIS A 38 7.107 -9.132 -10.452 1.00 0.00 H new ATOM 0 HE2 HIS A 38 8.800 -10.144 -8.842 1.00 0.00 H new ATOM 640 N GLN A 39 4.640 -10.501 -3.839 1.00 0.00 N ATOM 641 CA GLN A 39 5.033 -11.435 -2.790 1.00 0.00 C ATOM 642 C GLN A 39 4.089 -12.632 -2.747 1.00 0.00 C ATOM 643 O GLN A 39 4.519 -13.768 -2.541 1.00 0.00 O ATOM 644 CB GLN A 39 5.047 -10.733 -1.431 1.00 0.00 C ATOM 645 CG GLN A 39 6.048 -9.592 -1.348 1.00 0.00 C ATOM 646 CD GLN A 39 7.420 -9.978 -1.863 1.00 0.00 C ATOM 647 OE1 GLN A 39 7.860 -11.116 -1.697 1.00 0.00 O ATOM 648 NE2 GLN A 39 8.105 -9.031 -2.492 1.00 0.00 N ATOM 0 H GLN A 39 4.470 -9.549 -3.514 1.00 0.00 H new ATOM 0 HA GLN A 39 6.037 -11.794 -3.015 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.050 -10.347 -1.220 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.276 -11.464 -0.656 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.674 -8.744 -1.922 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.133 -9.263 -0.312 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.702 -8.101 -2.607 1.00 0.00 H new ATOM 0 HE22 GLN A 39 9.035 -9.233 -2.860 1.00 0.00 H new ATOM 657 N LEU A 40 2.802 -12.372 -2.944 1.00 0.00 N ATOM 658 CA LEU A 40 1.796 -13.428 -2.927 1.00 0.00 C ATOM 659 C LEU A 40 2.022 -14.414 -4.069 1.00 0.00 C ATOM 660 O LEU A 40 2.096 -15.623 -3.853 1.00 0.00 O ATOM 661 CB LEU A 40 0.393 -12.825 -3.028 1.00 0.00 C ATOM 662 CG LEU A 40 -0.769 -13.818 -2.983 1.00 0.00 C ATOM 663 CD1 LEU A 40 -1.003 -14.429 -4.355 1.00 0.00 C ATOM 664 CD2 LEU A 40 -0.501 -14.906 -1.951 1.00 0.00 C ATOM 0 H LEU A 40 2.430 -11.438 -3.118 1.00 0.00 H new ATOM 0 HA LEU A 40 1.886 -13.967 -1.984 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.267 -12.111 -2.214 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.327 -12.262 -3.959 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.670 -13.280 -2.690 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.834 -15.133 -4.303 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.240 -13.640 -5.069 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.103 -14.953 -4.678 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.338 -15.604 -1.932 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.411 -15.441 -2.215 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.384 -14.453 -0.967 1.00 0.00 H new ATOM 676 N ASP A 41 2.133 -13.887 -5.284 1.00 0.00 N ATOM 677 CA ASP A 41 2.354 -14.720 -6.461 1.00 0.00 C ATOM 678 C ASP A 41 3.578 -15.611 -6.273 1.00 0.00 C ATOM 679 O ASP A 41 3.560 -16.789 -6.631 1.00 0.00 O ATOM 680 CB ASP A 41 2.529 -13.847 -7.704 1.00 0.00 C ATOM 681 CG ASP A 41 2.177 -14.582 -8.983 1.00 0.00 C ATOM 682 OD1 ASP A 41 1.277 -15.448 -8.941 1.00 0.00 O ATOM 683 OD2 ASP A 41 2.802 -14.292 -10.024 1.00 0.00 O ATOM 0 H ASP A 41 2.074 -12.888 -5.479 1.00 0.00 H new ATOM 0 HA ASP A 41 1.480 -15.357 -6.595 1.00 0.00 H new ATOM 0 HB2 ASP A 41 1.901 -12.961 -7.613 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.561 -13.502 -7.759 1.00 0.00 H new ATOM 688 N GLU A 42 4.639 -15.039 -5.713 1.00 0.00 N ATOM 689 CA GLU A 42 5.872 -15.783 -5.479 1.00 0.00 C ATOM 690 C GLU A 42 5.719 -16.735 -4.297 1.00 0.00 C ATOM 691 O GLU A 42 6.369 -17.780 -4.238 1.00 0.00 O ATOM 692 CB GLU A 42 7.033 -14.820 -5.226 1.00 0.00 C ATOM 693 CG GLU A 42 8.270 -15.495 -4.657 1.00 0.00 C ATOM 694 CD GLU A 42 9.559 -14.892 -5.182 1.00 0.00 C ATOM 695 OE1 GLU A 42 10.002 -13.863 -4.628 1.00 0.00 O ATOM 696 OE2 GLU A 42 10.123 -15.447 -6.148 1.00 0.00 O ATOM 0 H GLU A 42 4.670 -14.065 -5.413 1.00 0.00 H new ATOM 0 HA GLU A 42 6.085 -16.372 -6.371 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.296 -14.327 -6.162 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.705 -14.041 -4.537 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.254 -15.418 -3.570 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.244 -16.557 -4.901 1.00 0.00 H new ATOM 703 N LEU A 43 4.855 -16.367 -3.357 1.00 0.00 N ATOM 704 CA LEU A 43 4.615 -17.187 -2.176 1.00 0.00 C ATOM 705 C LEU A 43 3.866 -18.465 -2.541 1.00 0.00 C ATOM 706 O LEU A 43 4.077 -19.515 -1.937 1.00 0.00 O ATOM 707 CB LEU A 43 3.820 -16.398 -1.135 1.00 0.00 C ATOM 708 CG LEU A 43 3.499 -17.134 0.166 1.00 0.00 C ATOM 709 CD1 LEU A 43 4.591 -16.896 1.198 1.00 0.00 C ATOM 710 CD2 LEU A 43 2.146 -16.696 0.708 1.00 0.00 C ATOM 0 H LEU A 43 4.309 -15.506 -3.390 1.00 0.00 H new ATOM 0 HA LEU A 43 5.582 -17.462 -1.755 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.378 -15.495 -0.889 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.882 -16.079 -1.589 1.00 0.00 H new ATOM 0 HG LEU A 43 3.454 -18.202 -0.046 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.345 -17.428 2.117 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.543 -17.261 0.811 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.669 -15.829 1.406 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.935 -17.231 1.634 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.162 -15.624 0.903 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.371 -16.920 -0.025 1.00 0.00 H new ATOM 722 N ASN A 44 2.992 -18.368 -3.538 1.00 0.00 N ATOM 723 CA ASN A 44 2.212 -19.516 -3.986 1.00 0.00 C ATOM 724 C ASN A 44 3.125 -20.672 -4.382 1.00 0.00 C ATOM 725 O ASN A 44 2.842 -21.830 -4.080 1.00 0.00 O ATOM 726 CB ASN A 44 1.324 -19.124 -5.169 1.00 0.00 C ATOM 727 CG ASN A 44 0.418 -17.951 -4.849 1.00 0.00 C ATOM 728 OD1 ASN A 44 0.264 -17.033 -5.654 1.00 0.00 O ATOM 729 ND2 ASN A 44 -0.186 -17.976 -3.666 1.00 0.00 N ATOM 0 H ASN A 44 2.806 -17.506 -4.051 1.00 0.00 H new ATOM 0 HA ASN A 44 1.581 -19.842 -3.159 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.952 -18.872 -6.023 1.00 0.00 H new ATOM 0 HB3 ASN A 44 0.716 -19.980 -5.462 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.807 -17.214 -3.394 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.029 -18.758 -3.030 1.00 0.00 H new ATOM 736 N GLU A 45 4.223 -20.347 -5.060 1.00 0.00 N ATOM 737 CA GLU A 45 5.176 -21.359 -5.497 1.00 0.00 C ATOM 738 C GLU A 45 6.256 -21.582 -4.442 1.00 0.00 C ATOM 739 O GLU A 45 6.575 -22.719 -4.096 1.00 0.00 O ATOM 740 CB GLU A 45 5.821 -20.945 -6.821 1.00 0.00 C ATOM 741 CG GLU A 45 6.394 -22.111 -7.611 1.00 0.00 C ATOM 742 CD GLU A 45 7.795 -22.484 -7.165 1.00 0.00 C ATOM 743 OE1 GLU A 45 8.710 -21.649 -7.321 1.00 0.00 O ATOM 744 OE2 GLU A 45 7.975 -23.612 -6.659 1.00 0.00 O ATOM 0 H GLU A 45 4.473 -19.392 -5.317 1.00 0.00 H new ATOM 0 HA GLU A 45 4.634 -22.294 -5.640 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.078 -20.433 -7.433 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.617 -20.228 -6.619 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.739 -22.976 -7.502 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.410 -21.855 -8.670 1.00 0.00 H new ATOM 751 N ASN A 46 6.813 -20.487 -3.934 1.00 0.00 N ATOM 752 CA ASN A 46 7.858 -20.562 -2.918 1.00 0.00 C ATOM 753 C ASN A 46 7.386 -21.368 -1.712 1.00 0.00 C ATOM 754 O ASN A 46 8.163 -22.102 -1.099 1.00 0.00 O ATOM 755 CB ASN A 46 8.271 -19.156 -2.477 1.00 0.00 C ATOM 756 CG ASN A 46 9.441 -19.174 -1.513 1.00 0.00 C ATOM 757 OD1 ASN A 46 10.010 -20.227 -1.228 1.00 0.00 O ATOM 758 ND2 ASN A 46 9.805 -18.003 -1.003 1.00 0.00 N ATOM 0 H ASN A 46 6.559 -19.538 -4.209 1.00 0.00 H new ATOM 0 HA ASN A 46 8.720 -21.066 -3.355 1.00 0.00 H new ATOM 0 HB2 ASN A 46 8.535 -18.566 -3.354 1.00 0.00 H new ATOM 0 HB3 ASN A 46 7.422 -18.662 -2.005 1.00 0.00 H new ATOM 0 HD21 ASN A 46 10.585 -17.953 -0.347 1.00 0.00 H new ATOM 0 HD22 ASN A 46 9.305 -17.154 -1.267 1.00 0.00 H new ATOM 765 N LYS A 47 6.109 -21.227 -1.376 1.00 0.00 N ATOM 766 CA LYS A 47 5.532 -21.943 -0.244 1.00 0.00 C ATOM 767 C LYS A 47 6.380 -21.752 1.010 1.00 0.00 C ATOM 768 O LYS A 47 6.463 -22.643 1.855 1.00 0.00 O ATOM 769 CB LYS A 47 5.408 -23.434 -0.567 1.00 0.00 C ATOM 770 CG LYS A 47 4.373 -23.741 -1.636 1.00 0.00 C ATOM 771 CD LYS A 47 2.960 -23.511 -1.126 1.00 0.00 C ATOM 772 CE LYS A 47 1.961 -24.420 -1.824 1.00 0.00 C ATOM 773 NZ LYS A 47 2.146 -24.418 -3.302 1.00 0.00 N ATOM 0 H LYS A 47 5.453 -20.623 -1.871 1.00 0.00 H new ATOM 0 HA LYS A 47 4.539 -21.535 -0.055 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.378 -23.808 -0.894 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.149 -23.974 0.344 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.553 -23.113 -2.509 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.480 -24.776 -1.961 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.926 -23.689 -0.051 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.679 -22.470 -1.285 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.070 -25.437 -1.446 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.948 -24.097 -1.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.265 -24.723 -3.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.389 -23.458 -3.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.914 -25.072 -3.557 1.00 0.00 H new ATOM 787 N SER A 48 7.004 -20.585 1.124 1.00 0.00 N ATOM 788 CA SER A 48 7.847 -20.278 2.274 1.00 0.00 C ATOM 789 C SER A 48 6.997 -19.967 3.502 1.00 0.00 C ATOM 790 O SER A 48 6.171 -19.054 3.486 1.00 0.00 O ATOM 791 CB SER A 48 8.763 -19.093 1.960 1.00 0.00 C ATOM 792 OG SER A 48 9.352 -18.579 3.141 1.00 0.00 O ATOM 0 H SER A 48 6.942 -19.836 0.434 1.00 0.00 H new ATOM 0 HA SER A 48 8.459 -21.154 2.489 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.544 -19.406 1.267 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.192 -18.309 1.463 1.00 0.00 H new ATOM 0 HG SER A 48 9.934 -17.824 2.914 1.00 0.00 H new ATOM 798 N LYS A 49 7.205 -20.733 4.567 1.00 0.00 N ATOM 799 CA LYS A 49 6.462 -20.541 5.807 1.00 0.00 C ATOM 800 C LYS A 49 6.675 -19.135 6.357 1.00 0.00 C ATOM 801 O LYS A 49 5.734 -18.492 6.822 1.00 0.00 O ATOM 802 CB LYS A 49 6.888 -21.578 6.848 1.00 0.00 C ATOM 803 CG LYS A 49 8.387 -21.617 7.089 1.00 0.00 C ATOM 804 CD LYS A 49 8.902 -23.044 7.170 1.00 0.00 C ATOM 805 CE LYS A 49 10.243 -23.193 6.468 1.00 0.00 C ATOM 806 NZ LYS A 49 11.366 -23.321 7.438 1.00 0.00 N ATOM 0 H LYS A 49 7.883 -21.494 4.597 1.00 0.00 H new ATOM 0 HA LYS A 49 5.402 -20.670 5.589 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.382 -21.364 7.790 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.555 -22.564 6.524 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.900 -21.089 6.285 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.621 -21.092 8.015 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.003 -23.337 8.215 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.176 -23.720 6.718 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.219 -24.071 5.822 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.415 -22.329 5.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.262 -23.420 6.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.405 -22.472 8.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.216 -24.160 8.034 1.00 0.00 H new ATOM 820 N GLU A 50 7.917 -18.663 6.300 1.00 0.00 N ATOM 821 CA GLU A 50 8.252 -17.332 6.792 1.00 0.00 C ATOM 822 C GLU A 50 7.595 -16.253 5.935 1.00 0.00 C ATOM 823 O GLU A 50 6.932 -15.352 6.451 1.00 0.00 O ATOM 824 CB GLU A 50 9.768 -17.136 6.804 1.00 0.00 C ATOM 825 CG GLU A 50 10.519 -18.228 7.547 1.00 0.00 C ATOM 826 CD GLU A 50 12.013 -17.981 7.595 1.00 0.00 C ATOM 827 OE1 GLU A 50 12.622 -17.819 6.516 1.00 0.00 O ATOM 828 OE2 GLU A 50 12.576 -17.950 8.709 1.00 0.00 O ATOM 0 H GLU A 50 8.707 -19.183 5.918 1.00 0.00 H new ATOM 0 HA GLU A 50 7.873 -17.243 7.810 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.128 -17.094 5.776 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.997 -16.174 7.261 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.134 -18.301 8.564 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.329 -19.187 7.065 1.00 0.00 H new ATOM 835 N LEU A 51 7.782 -16.352 4.624 1.00 0.00 N ATOM 836 CA LEU A 51 7.209 -15.386 3.694 1.00 0.00 C ATOM 837 C LEU A 51 5.699 -15.278 3.882 1.00 0.00 C ATOM 838 O LEU A 51 5.129 -14.191 3.792 1.00 0.00 O ATOM 839 CB LEU A 51 7.527 -15.786 2.252 1.00 0.00 C ATOM 840 CG LEU A 51 7.074 -14.805 1.169 1.00 0.00 C ATOM 841 CD1 LEU A 51 7.671 -13.428 1.412 1.00 0.00 C ATOM 842 CD2 LEU A 51 7.460 -15.320 -0.211 1.00 0.00 C ATOM 0 H LEU A 51 8.326 -17.092 4.181 1.00 0.00 H new ATOM 0 HA LEU A 51 7.653 -14.412 3.901 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.605 -15.923 2.163 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.066 -16.754 2.054 1.00 0.00 H new ATOM 0 HG LEU A 51 5.988 -14.720 1.213 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.338 -12.744 0.632 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.345 -13.057 2.384 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.759 -13.495 1.395 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.130 -14.610 -0.970 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.543 -15.434 -0.267 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.984 -16.285 -0.386 1.00 0.00 H new ATOM 854 N GLN A 52 5.058 -16.412 4.148 1.00 0.00 N ATOM 855 CA GLN A 52 3.615 -16.443 4.351 1.00 0.00 C ATOM 856 C GLN A 52 3.234 -15.751 5.655 1.00 0.00 C ATOM 857 O GLN A 52 2.432 -14.817 5.662 1.00 0.00 O ATOM 858 CB GLN A 52 3.111 -17.888 4.361 1.00 0.00 C ATOM 859 CG GLN A 52 1.628 -18.013 4.669 1.00 0.00 C ATOM 860 CD GLN A 52 1.355 -18.896 5.871 1.00 0.00 C ATOM 861 OE1 GLN A 52 1.320 -20.122 5.760 1.00 0.00 O ATOM 862 NE2 GLN A 52 1.158 -18.277 7.028 1.00 0.00 N ATOM 0 H GLN A 52 5.515 -17.320 4.228 1.00 0.00 H new ATOM 0 HA GLN A 52 3.146 -15.907 3.526 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.311 -18.341 3.390 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.676 -18.456 5.100 1.00 0.00 H new ATOM 0 HG2 GLN A 52 1.213 -17.021 4.850 1.00 0.00 H new ATOM 0 HG3 GLN A 52 1.113 -18.420 3.799 1.00 0.00 H new ATOM 0 HE21 GLN A 52 1.196 -17.259 7.075 1.00 0.00 H new ATOM 0 HE22 GLN A 52 0.969 -18.819 7.871 1.00 0.00 H new ATOM 871 N GLU A 53 3.813 -16.216 6.759 1.00 0.00 N ATOM 872 CA GLU A 53 3.532 -15.641 8.068 1.00 0.00 C ATOM 873 C GLU A 53 3.745 -14.130 8.057 1.00 0.00 C ATOM 874 O GLU A 53 3.057 -13.388 8.758 1.00 0.00 O ATOM 875 CB GLU A 53 4.423 -16.284 9.134 1.00 0.00 C ATOM 876 CG GLU A 53 3.950 -17.660 9.572 1.00 0.00 C ATOM 877 CD GLU A 53 4.620 -18.127 10.849 1.00 0.00 C ATOM 878 OE1 GLU A 53 5.561 -17.448 11.309 1.00 0.00 O ATOM 879 OE2 GLU A 53 4.203 -19.174 11.389 1.00 0.00 O ATOM 0 H GLU A 53 4.479 -16.989 6.772 1.00 0.00 H new ATOM 0 HA GLU A 53 2.488 -15.841 8.307 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.439 -16.364 8.747 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.465 -15.629 10.004 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.870 -17.639 9.719 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.150 -18.379 8.777 1.00 0.00 H new ATOM 886 N LYS A 54 4.704 -13.680 7.254 1.00 0.00 N ATOM 887 CA LYS A 54 5.010 -12.258 7.148 1.00 0.00 C ATOM 888 C LYS A 54 3.952 -11.535 6.321 1.00 0.00 C ATOM 889 O LYS A 54 3.414 -10.511 6.744 1.00 0.00 O ATOM 890 CB LYS A 54 6.391 -12.057 6.520 1.00 0.00 C ATOM 891 CG LYS A 54 7.536 -12.495 7.415 1.00 0.00 C ATOM 892 CD LYS A 54 8.550 -11.379 7.610 1.00 0.00 C ATOM 893 CE LYS A 54 8.101 -10.399 8.682 1.00 0.00 C ATOM 894 NZ LYS A 54 7.310 -9.274 8.110 1.00 0.00 N ATOM 0 H LYS A 54 5.283 -14.280 6.667 1.00 0.00 H new ATOM 0 HA LYS A 54 5.011 -11.836 8.153 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.440 -12.613 5.584 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.518 -11.003 6.272 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.144 -12.805 8.384 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.029 -13.363 6.978 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.514 -11.806 7.887 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.695 -10.849 6.669 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.501 -10.924 9.425 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.974 -10.002 9.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.283 -8.488 8.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.753 -8.952 7.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.341 -9.596 7.914 1.00 0.00 H new ATOM 908 N ILE A 55 3.659 -12.073 5.143 1.00 0.00 N ATOM 909 CA ILE A 55 2.664 -11.480 4.258 1.00 0.00 C ATOM 910 C ILE A 55 1.294 -11.435 4.925 1.00 0.00 C ATOM 911 O ILE A 55 0.660 -10.380 4.994 1.00 0.00 O ATOM 912 CB ILE A 55 2.553 -12.258 2.933 1.00 0.00 C ATOM 913 CG1 ILE A 55 3.832 -12.090 2.110 1.00 0.00 C ATOM 914 CG2 ILE A 55 1.341 -11.787 2.143 1.00 0.00 C ATOM 915 CD1 ILE A 55 3.970 -13.105 0.997 1.00 0.00 C ATOM 0 H ILE A 55 4.097 -12.919 4.779 1.00 0.00 H new ATOM 0 HA ILE A 55 2.996 -10.464 4.045 1.00 0.00 H new ATOM 0 HB ILE A 55 2.426 -13.317 3.159 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.850 -11.088 1.682 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.694 -12.169 2.772 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.276 -12.346 1.209 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.437 -11.953 2.729 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.440 -10.724 1.923 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.899 -12.927 0.455 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.984 -14.109 1.420 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.127 -13.011 0.313 1.00 0.00 H new ATOM 927 N ILE A 56 0.842 -12.583 5.416 1.00 0.00 N ATOM 928 CA ILE A 56 -0.452 -12.673 6.079 1.00 0.00 C ATOM 929 C ILE A 56 -0.561 -11.658 7.212 1.00 0.00 C ATOM 930 O ILE A 56 -1.628 -11.092 7.452 1.00 0.00 O ATOM 931 CB ILE A 56 -0.698 -14.085 6.645 1.00 0.00 C ATOM 932 CG1 ILE A 56 -2.089 -14.170 7.278 1.00 0.00 C ATOM 933 CG2 ILE A 56 0.376 -14.442 7.662 1.00 0.00 C ATOM 934 CD1 ILE A 56 -2.636 -15.578 7.346 1.00 0.00 C ATOM 0 H ILE A 56 1.353 -13.464 5.367 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.208 -12.455 5.325 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.648 -14.803 5.826 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.047 -13.756 8.285 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.778 -13.548 6.707 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.189 -15.442 8.053 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.354 -14.417 7.182 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.355 -13.723 8.481 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.624 -15.563 7.806 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.711 -15.988 6.339 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.968 -16.199 7.942 1.00 0.00 H new ATOM 946 N ARG A 57 0.550 -11.432 7.905 1.00 0.00 N ATOM 947 CA ARG A 57 0.580 -10.484 9.012 1.00 0.00 C ATOM 948 C ARG A 57 0.388 -9.056 8.511 1.00 0.00 C ATOM 949 O ARG A 57 -0.484 -8.331 8.990 1.00 0.00 O ATOM 950 CB ARG A 57 1.903 -10.596 9.772 1.00 0.00 C ATOM 951 CG ARG A 57 1.770 -11.258 11.133 1.00 0.00 C ATOM 952 CD ARG A 57 1.232 -12.675 11.012 1.00 0.00 C ATOM 953 NE ARG A 57 2.090 -13.646 11.685 1.00 0.00 N ATOM 954 CZ ARG A 57 1.719 -14.894 11.953 1.00 0.00 C ATOM 955 NH1 ARG A 57 0.512 -15.320 11.606 1.00 0.00 N ATOM 956 NH2 ARG A 57 2.557 -15.718 12.569 1.00 0.00 N ATOM 0 H ARG A 57 1.441 -11.892 7.719 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.241 -10.727 9.687 1.00 0.00 H new ATOM 0 HB2 ARG A 57 2.612 -11.164 9.169 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.323 -9.599 9.902 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.742 -11.277 11.626 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.105 -10.667 11.763 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.230 -12.720 11.439 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.142 -12.940 9.958 1.00 0.00 H new ATOM 0 HE ARG A 57 3.025 -13.350 11.965 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -0.135 -14.689 11.132 1.00 0.00 H new ATOM 0 HH12 ARG A 57 0.230 -16.278 11.813 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.486 -15.394 12.837 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.272 -16.676 12.774 1.00 0.00 H new ATOM 970 N GLU A 58 1.210 -8.658 7.544 1.00 0.00 N ATOM 971 CA GLU A 58 1.130 -7.316 6.979 1.00 0.00 C ATOM 972 C GLU A 58 -0.235 -7.073 6.342 1.00 0.00 C ATOM 973 O GLU A 58 -0.880 -6.056 6.598 1.00 0.00 O ATOM 974 CB GLU A 58 2.235 -7.110 5.941 1.00 0.00 C ATOM 975 CG GLU A 58 2.947 -5.773 6.065 1.00 0.00 C ATOM 976 CD GLU A 58 2.971 -5.001 4.760 1.00 0.00 C ATOM 977 OE1 GLU A 58 3.245 -5.619 3.710 1.00 0.00 O ATOM 978 OE2 GLU A 58 2.717 -3.779 4.790 1.00 0.00 O ATOM 0 H GLU A 58 1.938 -9.245 7.136 1.00 0.00 H new ATOM 0 HA GLU A 58 1.264 -6.600 7.789 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.967 -7.912 6.038 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.804 -7.191 4.943 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.453 -5.172 6.829 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.970 -5.940 6.403 1.00 0.00 H new ATOM 985 N LEU A 59 -0.668 -8.014 5.510 1.00 0.00 N ATOM 986 CA LEU A 59 -1.956 -7.904 4.834 1.00 0.00 C ATOM 987 C LEU A 59 -3.098 -7.855 5.844 1.00 0.00 C ATOM 988 O LEU A 59 -4.075 -7.129 5.656 1.00 0.00 O ATOM 989 CB LEU A 59 -2.155 -9.081 3.878 1.00 0.00 C ATOM 990 CG LEU A 59 -3.121 -8.846 2.717 1.00 0.00 C ATOM 991 CD1 LEU A 59 -2.664 -7.668 1.871 1.00 0.00 C ATOM 992 CD2 LEU A 59 -3.244 -10.101 1.864 1.00 0.00 C ATOM 0 H LEU A 59 -0.146 -8.862 5.287 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.961 -6.976 4.263 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.184 -9.357 3.466 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.512 -9.935 4.454 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.103 -8.612 3.129 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.364 -7.517 1.050 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.628 -6.770 2.487 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.672 -7.872 1.469 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.936 -9.916 1.042 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.266 -10.365 1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.619 -10.921 2.476 1.00 0.00 H new ATOM 1004 N ASP A 60 -2.967 -8.629 6.915 1.00 0.00 N ATOM 1005 CA ASP A 60 -3.987 -8.671 7.957 1.00 0.00 C ATOM 1006 C ASP A 60 -4.159 -7.302 8.604 1.00 0.00 C ATOM 1007 O ASP A 60 -5.270 -6.775 8.682 1.00 0.00 O ATOM 1008 CB ASP A 60 -3.618 -9.709 9.019 1.00 0.00 C ATOM 1009 CG ASP A 60 -4.604 -9.736 10.168 1.00 0.00 C ATOM 1010 OD1 ASP A 60 -5.727 -10.249 9.975 1.00 0.00 O ATOM 1011 OD2 ASP A 60 -4.256 -9.244 11.262 1.00 0.00 O ATOM 0 H ASP A 60 -2.165 -9.236 7.085 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.932 -8.955 7.495 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.574 -10.696 8.558 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.622 -9.492 9.404 1.00 0.00 H new ATOM 1016 N VAL A 61 -3.054 -6.730 9.070 1.00 0.00 N ATOM 1017 CA VAL A 61 -3.083 -5.421 9.712 1.00 0.00 C ATOM 1018 C VAL A 61 -3.596 -4.351 8.755 1.00 0.00 C ATOM 1019 O VAL A 61 -4.416 -3.511 9.127 1.00 0.00 O ATOM 1020 CB VAL A 61 -1.686 -5.013 10.219 1.00 0.00 C ATOM 1021 CG1 VAL A 61 -1.745 -3.661 10.914 1.00 0.00 C ATOM 1022 CG2 VAL A 61 -1.127 -6.077 11.151 1.00 0.00 C ATOM 0 H VAL A 61 -2.127 -7.152 9.015 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.761 -5.500 10.562 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.018 -4.926 9.362 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.750 -3.389 11.266 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.101 -2.907 10.212 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.427 -3.718 11.763 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.140 -5.773 11.500 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.793 -6.198 12.006 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.047 -7.024 10.616 1.00 0.00 H new ATOM 1032 N VAL A 62 -3.109 -4.387 7.518 1.00 0.00 N ATOM 1033 CA VAL A 62 -3.519 -3.422 6.505 1.00 0.00 C ATOM 1034 C VAL A 62 -5.007 -3.548 6.197 1.00 0.00 C ATOM 1035 O VAL A 62 -5.759 -2.580 6.313 1.00 0.00 O ATOM 1036 CB VAL A 62 -2.719 -3.602 5.202 1.00 0.00 C ATOM 1037 CG1 VAL A 62 -3.207 -2.631 4.137 1.00 0.00 C ATOM 1038 CG2 VAL A 62 -1.231 -3.417 5.461 1.00 0.00 C ATOM 0 H VAL A 62 -2.429 -5.075 7.194 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.318 -2.431 6.912 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.878 -4.616 4.836 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.630 -2.773 3.223 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.262 -2.815 3.932 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.080 -1.608 4.491 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.681 -3.548 4.529 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.051 -2.415 5.851 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.894 -4.155 6.188 1.00 0.00 H new ATOM 1048 N CYS A 63 -5.424 -4.746 5.805 1.00 0.00 N ATOM 1049 CA CYS A 63 -6.823 -4.999 5.479 1.00 0.00 C ATOM 1050 C CYS A 63 -7.719 -4.734 6.685 1.00 0.00 C ATOM 1051 O CYS A 63 -8.897 -4.411 6.536 1.00 0.00 O ATOM 1052 CB CYS A 63 -7.005 -6.441 5.001 1.00 0.00 C ATOM 1053 SG CYS A 63 -7.073 -7.657 6.336 1.00 0.00 S ATOM 0 H CYS A 63 -4.814 -5.557 5.705 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.112 -4.319 4.678 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -7.923 -6.506 4.418 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.184 -6.697 4.332 1.00 0.00 H new ATOM 0 HG CYS A 63 -6.308 -7.271 7.314 1.00 0.00 H new ATOM 1059 N ALA A 64 -7.152 -4.873 7.878 1.00 0.00 N ATOM 1060 CA ALA A 64 -7.898 -4.648 9.110 1.00 0.00 C ATOM 1061 C ALA A 64 -8.221 -3.169 9.294 1.00 0.00 C ATOM 1062 O ALA A 64 -9.387 -2.787 9.394 1.00 0.00 O ATOM 1063 CB ALA A 64 -7.116 -5.172 10.305 1.00 0.00 C ATOM 0 H ALA A 64 -6.178 -5.141 8.018 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.839 -5.193 9.039 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.686 -4.997 11.218 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.942 -6.241 10.185 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.159 -4.654 10.369 1.00 0.00 H new ATOM 1069 N MET A 65 -7.182 -2.342 9.338 1.00 0.00 N ATOM 1070 CA MET A 65 -7.356 -0.905 9.509 1.00 0.00 C ATOM 1071 C MET A 65 -8.165 -0.314 8.358 1.00 0.00 C ATOM 1072 O MET A 65 -8.998 0.570 8.563 1.00 0.00 O ATOM 1073 CB MET A 65 -5.995 -0.212 9.599 1.00 0.00 C ATOM 1074 CG MET A 65 -5.149 -0.368 8.346 1.00 0.00 C ATOM 1075 SD MET A 65 -3.527 0.405 8.502 1.00 0.00 S ATOM 1076 CE MET A 65 -2.563 -0.959 9.151 1.00 0.00 C ATOM 0 H MET A 65 -6.211 -2.643 9.258 1.00 0.00 H new ATOM 0 HA MET A 65 -7.903 -0.739 10.437 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.149 0.849 9.793 1.00 0.00 H new ATOM 0 HB3 MET A 65 -5.447 -0.616 10.450 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.022 -1.428 8.128 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.676 0.071 7.499 1.00 0.00 H new ATOM 0 HE1 MET A 65 -1.749 -0.571 9.764 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.202 -1.599 9.760 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.150 -1.538 8.325 1.00 0.00 H new ATOM 1086 N ILE A 66 -7.914 -0.808 7.150 1.00 0.00 N ATOM 1087 CA ILE A 66 -8.620 -0.328 5.969 1.00 0.00 C ATOM 1088 C ILE A 66 -10.097 -0.703 6.021 1.00 0.00 C ATOM 1089 O ILE A 66 -10.968 0.126 5.758 1.00 0.00 O ATOM 1090 CB ILE A 66 -8.003 -0.894 4.676 1.00 0.00 C ATOM 1091 CG1 ILE A 66 -7.013 0.106 4.077 1.00 0.00 C ATOM 1092 CG2 ILE A 66 -9.095 -1.234 3.672 1.00 0.00 C ATOM 1093 CD1 ILE A 66 -5.824 0.388 4.969 1.00 0.00 C ATOM 0 H ILE A 66 -7.228 -1.539 6.964 1.00 0.00 H new ATOM 0 HA ILE A 66 -8.524 0.758 5.963 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.463 -1.809 4.919 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.657 -0.276 3.121 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -7.533 1.042 3.872 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.643 -1.633 2.764 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.765 -1.979 4.101 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.661 -0.334 3.431 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.165 1.105 4.480 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.170 0.800 5.917 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.280 -0.538 5.153 1.00 0.00 H new ATOM 1105 N GLU A 67 -10.372 -1.958 6.362 1.00 0.00 N ATOM 1106 CA GLU A 67 -11.744 -2.443 6.450 1.00 0.00 C ATOM 1107 C GLU A 67 -12.546 -1.626 7.459 1.00 0.00 C ATOM 1108 O GLU A 67 -13.643 -1.156 7.161 1.00 0.00 O ATOM 1109 CB GLU A 67 -11.762 -3.921 6.844 1.00 0.00 C ATOM 1110 CG GLU A 67 -11.622 -4.868 5.663 1.00 0.00 C ATOM 1111 CD GLU A 67 -11.486 -6.317 6.090 1.00 0.00 C ATOM 1112 OE1 GLU A 67 -11.768 -6.615 7.270 1.00 0.00 O ATOM 1113 OE2 GLU A 67 -11.098 -7.150 5.246 1.00 0.00 O ATOM 0 H GLU A 67 -9.663 -2.657 6.582 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.206 -2.331 5.469 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.952 -4.110 7.549 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.695 -4.138 7.364 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.492 -4.764 5.014 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.750 -4.583 5.075 1.00 0.00 H new ATOM 1120 N GLY A 68 -11.989 -1.462 8.655 1.00 0.00 N ATOM 1121 CA GLY A 68 -12.665 -0.703 9.691 1.00 0.00 C ATOM 1122 C GLY A 68 -12.888 0.743 9.298 1.00 0.00 C ATOM 1123 O GLY A 68 -14.009 1.247 9.369 1.00 0.00 O ATOM 0 H GLY A 68 -11.081 -1.841 8.925 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -13.626 -1.169 9.910 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.076 -0.741 10.607 1.00 0.00 H new ATOM 1127 N ALA A 69 -11.818 1.414 8.884 1.00 0.00 N ATOM 1128 CA ALA A 69 -11.902 2.811 8.477 1.00 0.00 C ATOM 1129 C ALA A 69 -12.873 2.986 7.313 1.00 0.00 C ATOM 1130 O ALA A 69 -13.645 3.944 7.278 1.00 0.00 O ATOM 1131 CB ALA A 69 -10.524 3.336 8.102 1.00 0.00 C ATOM 0 H ALA A 69 -10.883 1.012 8.822 1.00 0.00 H new ATOM 0 HA ALA A 69 -12.280 3.388 9.321 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.602 4.380 7.800 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.858 3.256 8.961 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -10.123 2.749 7.276 1.00 0.00 H new ATOM 1137 N GLN A 70 -12.824 2.058 6.364 1.00 0.00 N ATOM 1138 CA GLN A 70 -13.699 2.113 5.198 1.00 0.00 C ATOM 1139 C GLN A 70 -15.164 2.036 5.612 1.00 0.00 C ATOM 1140 O GLN A 70 -15.973 2.878 5.226 1.00 0.00 O ATOM 1141 CB GLN A 70 -13.369 0.972 4.233 1.00 0.00 C ATOM 1142 CG GLN A 70 -12.266 1.312 3.245 1.00 0.00 C ATOM 1143 CD GLN A 70 -12.402 0.558 1.936 1.00 0.00 C ATOM 1144 OE1 GLN A 70 -11.470 -0.114 1.493 1.00 0.00 O ATOM 1145 NE2 GLN A 70 -13.567 0.665 1.309 1.00 0.00 N ATOM 0 H GLN A 70 -12.189 1.260 6.379 1.00 0.00 H new ATOM 0 HA GLN A 70 -13.533 3.066 4.695 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -13.073 0.095 4.808 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -14.269 0.702 3.681 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -12.280 2.384 3.046 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -11.299 1.083 3.693 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -14.313 1.233 1.712 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -13.717 0.180 0.424 1.00 0.00 H new ATOM 1154 N GLY A 71 -15.499 1.019 6.401 1.00 0.00 N ATOM 1155 CA GLY A 71 -16.867 0.850 6.854 1.00 0.00 C ATOM 1156 C GLY A 71 -17.383 2.064 7.602 1.00 0.00 C ATOM 1157 O GLY A 71 -18.451 2.588 7.287 1.00 0.00 O ATOM 0 H GLY A 71 -14.847 0.309 6.734 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -17.510 0.656 5.995 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -16.927 -0.025 7.502 1.00 0.00 H new ATOM 1161 N ALA A 72 -16.624 2.511 8.597 1.00 0.00 N ATOM 1162 CA ALA A 72 -17.011 3.671 9.392 1.00 0.00 C ATOM 1163 C ALA A 72 -17.092 4.925 8.529 1.00 0.00 C ATOM 1164 O ALA A 72 -18.134 5.578 8.462 1.00 0.00 O ATOM 1165 CB ALA A 72 -16.030 3.877 10.536 1.00 0.00 C ATOM 0 H ALA A 72 -15.738 2.088 8.872 1.00 0.00 H new ATOM 0 HA ALA A 72 -18.001 3.483 9.807 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -16.331 4.746 11.121 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -16.025 2.994 11.175 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -15.030 4.039 10.133 1.00 0.00 H new ATOM 1171 N LEU A 73 -15.986 5.257 7.872 1.00 0.00 N ATOM 1172 CA LEU A 73 -15.932 6.435 7.013 1.00 0.00 C ATOM 1173 C LEU A 73 -17.069 6.421 5.996 1.00 0.00 C ATOM 1174 O LEU A 73 -17.673 7.455 5.712 1.00 0.00 O ATOM 1175 CB LEU A 73 -14.586 6.501 6.289 1.00 0.00 C ATOM 1176 CG LEU A 73 -14.268 7.820 5.583 1.00 0.00 C ATOM 1177 CD1 LEU A 73 -14.289 8.975 6.572 1.00 0.00 C ATOM 1178 CD2 LEU A 73 -12.918 7.739 4.885 1.00 0.00 C ATOM 0 H LEU A 73 -15.115 4.728 7.918 1.00 0.00 H new ATOM 0 HA LEU A 73 -16.043 7.318 7.642 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -13.796 6.300 7.013 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -14.553 5.700 5.551 1.00 0.00 H new ATOM 0 HG LEU A 73 -15.035 8.000 4.830 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -14.060 9.905 6.051 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -15.277 9.047 7.026 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -13.544 8.802 7.349 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -12.708 8.686 4.388 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -12.140 7.535 5.620 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -12.938 6.938 4.146 1.00 0.00 H new ATOM 1190 N GLU A 74 -17.355 5.242 5.454 1.00 0.00 N ATOM 1191 CA GLU A 74 -18.420 5.093 4.469 1.00 0.00 C ATOM 1192 C GLU A 74 -19.775 5.439 5.078 1.00 0.00 C ATOM 1193 O GLU A 74 -20.540 6.222 4.513 1.00 0.00 O ATOM 1194 CB GLU A 74 -18.444 3.664 3.922 1.00 0.00 C ATOM 1195 CG GLU A 74 -17.451 3.427 2.795 1.00 0.00 C ATOM 1196 CD GLU A 74 -17.884 4.068 1.492 1.00 0.00 C ATOM 1197 OE1 GLU A 74 -18.980 3.731 0.999 1.00 0.00 O ATOM 1198 OE2 GLU A 74 -17.125 4.909 0.965 1.00 0.00 O ATOM 0 H GLU A 74 -16.865 4.377 5.680 1.00 0.00 H new ATOM 0 HA GLU A 74 -18.222 5.784 3.650 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -18.231 2.969 4.735 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -19.448 3.438 3.564 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -16.477 3.823 3.084 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -17.327 2.355 2.644 1.00 0.00 H new ATOM 1205 N ARG A 75 -20.067 4.848 6.232 1.00 0.00 N ATOM 1206 CA ARG A 75 -21.331 5.092 6.917 1.00 0.00 C ATOM 1207 C ARG A 75 -21.459 6.559 7.317 1.00 0.00 C ATOM 1208 O ARG A 75 -22.564 7.093 7.404 1.00 0.00 O ATOM 1209 CB ARG A 75 -21.443 4.203 8.157 1.00 0.00 C ATOM 1210 CG ARG A 75 -22.764 4.349 8.894 1.00 0.00 C ATOM 1211 CD ARG A 75 -23.894 3.649 8.156 1.00 0.00 C ATOM 1212 NE ARG A 75 -25.202 4.182 8.526 1.00 0.00 N ATOM 1213 CZ ARG A 75 -26.333 3.844 7.916 1.00 0.00 C ATOM 1214 NH1 ARG A 75 -26.315 2.979 6.911 1.00 0.00 N ATOM 1215 NH2 ARG A 75 -27.484 4.372 8.310 1.00 0.00 N ATOM 0 H ARG A 75 -19.446 4.197 6.712 1.00 0.00 H new ATOM 0 HA ARG A 75 -22.141 4.849 6.229 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -21.316 3.162 7.860 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -20.628 4.442 8.840 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -22.670 3.933 9.897 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -23.003 5.406 9.009 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -23.748 3.759 7.081 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -23.863 2.581 8.374 1.00 0.00 H new ATOM 0 HE ARG A 75 -25.250 4.850 9.295 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -25.432 2.571 6.605 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -27.185 2.721 6.444 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -27.502 5.038 9.082 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -28.352 4.112 7.841 1.00 0.00 H new ATOM 1229 N GLU A 76 -20.321 7.203 7.557 1.00 0.00 N ATOM 1230 CA GLU A 76 -20.307 8.608 7.948 1.00 0.00 C ATOM 1231 C GLU A 76 -20.532 9.512 6.739 1.00 0.00 C ATOM 1232 O GLU A 76 -21.432 10.352 6.736 1.00 0.00 O ATOM 1233 CB GLU A 76 -18.979 8.960 8.622 1.00 0.00 C ATOM 1234 CG GLU A 76 -18.843 8.399 10.027 1.00 0.00 C ATOM 1235 CD GLU A 76 -19.593 9.219 11.059 1.00 0.00 C ATOM 1236 OE1 GLU A 76 -20.001 10.354 10.733 1.00 0.00 O ATOM 1237 OE2 GLU A 76 -19.771 8.726 12.193 1.00 0.00 O ATOM 0 H GLU A 76 -19.398 6.775 7.488 1.00 0.00 H new ATOM 0 HA GLU A 76 -21.120 8.769 8.656 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -18.159 8.585 8.009 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -18.877 10.045 8.661 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -19.215 7.375 10.042 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -17.788 8.359 10.297 1.00 0.00 H new ATOM 1244 N LEU A 77 -19.707 9.333 5.713 1.00 0.00 N ATOM 1245 CA LEU A 77 -19.814 10.131 4.498 1.00 0.00 C ATOM 1246 C LEU A 77 -21.135 9.862 3.783 1.00 0.00 C ATOM 1247 O LEU A 77 -21.614 10.690 3.009 1.00 0.00 O ATOM 1248 CB LEU A 77 -18.643 9.829 3.560 1.00 0.00 C ATOM 1249 CG LEU A 77 -18.522 8.380 3.084 1.00 0.00 C ATOM 1250 CD1 LEU A 77 -19.283 8.180 1.783 1.00 0.00 C ATOM 1251 CD2 LEU A 77 -17.059 7.995 2.913 1.00 0.00 C ATOM 0 H LEU A 77 -18.957 8.642 5.699 1.00 0.00 H new ATOM 0 HA LEU A 77 -19.783 11.183 4.781 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -18.729 10.472 2.684 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -17.717 10.103 4.067 1.00 0.00 H new ATOM 0 HG LEU A 77 -18.962 7.731 3.841 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -19.185 7.144 1.460 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -20.336 8.414 1.938 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -18.874 8.839 1.017 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -16.992 6.961 2.574 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -16.594 8.650 2.176 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -16.542 8.098 3.867 1.00 0.00 H new ATOM 1263 N LYS A 78 -21.720 8.700 4.051 1.00 0.00 N ATOM 1264 CA LYS A 78 -22.988 8.321 3.438 1.00 0.00 C ATOM 1265 C LYS A 78 -24.114 9.237 3.908 1.00 0.00 C ATOM 1266 O LYS A 78 -25.196 9.257 3.321 1.00 0.00 O ATOM 1267 CB LYS A 78 -23.326 6.867 3.772 1.00 0.00 C ATOM 1268 CG LYS A 78 -22.924 5.884 2.686 1.00 0.00 C ATOM 1269 CD LYS A 78 -23.943 5.852 1.560 1.00 0.00 C ATOM 1270 CE LYS A 78 -23.408 5.105 0.347 1.00 0.00 C ATOM 1271 NZ LYS A 78 -22.876 3.763 0.712 1.00 0.00 N ATOM 0 H LYS A 78 -21.336 8.003 4.689 1.00 0.00 H new ATOM 0 HA LYS A 78 -22.886 8.424 2.358 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -22.829 6.592 4.702 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -24.399 6.783 3.947 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -21.948 6.160 2.287 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -22.823 4.887 3.115 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -24.858 5.374 1.909 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -24.205 6.871 1.275 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -24.203 4.992 -0.390 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -22.619 5.693 -0.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -22.742 3.196 -0.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -21.964 3.872 1.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -23.550 3.282 1.342 1.00 0.00 H new ATOM 1285 N ARG A 79 -23.852 9.994 4.968 1.00 0.00 N ATOM 1286 CA ARG A 79 -24.843 10.911 5.516 1.00 0.00 C ATOM 1287 C ARG A 79 -25.164 12.023 4.521 1.00 0.00 C ATOM 1288 O ARG A 79 -26.158 12.735 4.668 1.00 0.00 O ATOM 1289 CB ARG A 79 -24.340 11.517 6.828 1.00 0.00 C ATOM 1290 CG ARG A 79 -23.277 12.585 6.637 1.00 0.00 C ATOM 1291 CD ARG A 79 -22.484 12.817 7.913 1.00 0.00 C ATOM 1292 NE ARG A 79 -23.152 13.754 8.812 1.00 0.00 N ATOM 1293 CZ ARG A 79 -22.750 13.995 10.054 1.00 0.00 C ATOM 1294 NH1 ARG A 79 -21.686 13.372 10.544 1.00 0.00 N ATOM 1295 NH2 ARG A 79 -23.411 14.862 10.811 1.00 0.00 N ATOM 0 H ARG A 79 -22.961 9.990 5.465 1.00 0.00 H new ATOM 0 HA ARG A 79 -25.754 10.346 5.711 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -25.184 11.949 7.366 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -23.936 10.722 7.454 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -22.600 12.287 5.836 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -23.748 13.517 6.326 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -22.336 11.866 8.425 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -21.495 13.200 7.660 1.00 0.00 H new ATOM 0 HE ARG A 79 -23.973 14.251 8.466 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -21.174 12.705 9.966 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -21.380 13.560 11.499 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -24.229 15.344 10.439 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -23.101 15.046 11.765 1.00 0.00 H new ATOM 1309 N THR A 80 -24.315 12.167 3.508 1.00 0.00 N ATOM 1310 CA THR A 80 -24.506 13.192 2.490 1.00 0.00 C ATOM 1311 C THR A 80 -25.918 13.141 1.918 1.00 0.00 C ATOM 1312 O THR A 80 -26.665 12.195 2.167 1.00 0.00 O ATOM 1313 CB THR A 80 -23.493 13.037 1.340 1.00 0.00 C ATOM 1314 OG1 THR A 80 -23.162 11.656 1.160 1.00 0.00 O ATOM 1315 CG2 THR A 80 -22.228 13.834 1.624 1.00 0.00 C ATOM 0 H THR A 80 -23.488 11.586 3.371 1.00 0.00 H new ATOM 0 HA THR A 80 -24.348 14.155 2.976 1.00 0.00 H new ATOM 0 HB THR A 80 -23.950 13.421 0.428 1.00 0.00 H new ATOM 0 HG1 THR A 80 -22.321 11.458 1.622 1.00 0.00 H new ATOM 0 HG21 THR A 80 -21.527 13.710 0.799 1.00 0.00 H new ATOM 0 HG22 THR A 80 -22.479 14.889 1.731 1.00 0.00 H new ATOM 0 HG23 THR A 80 -21.771 13.474 2.546 1.00 0.00 H new ATOM 1323 N ASP A 81 -26.277 14.164 1.150 1.00 0.00 N ATOM 1324 CA ASP A 81 -27.600 14.236 0.541 1.00 0.00 C ATOM 1325 C ASP A 81 -27.520 13.985 -0.962 1.00 0.00 C ATOM 1326 O ASP A 81 -27.886 12.912 -1.444 1.00 0.00 O ATOM 1327 CB ASP A 81 -28.236 15.600 0.809 1.00 0.00 C ATOM 1328 CG ASP A 81 -28.635 15.777 2.262 1.00 0.00 C ATOM 1329 OD1 ASP A 81 -29.531 15.041 2.724 1.00 0.00 O ATOM 1330 OD2 ASP A 81 -28.050 16.650 2.935 1.00 0.00 O ATOM 0 H ASP A 81 -25.670 14.955 0.934 1.00 0.00 H new ATOM 0 HA ASP A 81 -28.221 13.461 0.989 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -27.535 16.386 0.529 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -29.116 15.718 0.177 1.00 0.00 H new ATOM 1335 N LEU A 82 -27.040 14.981 -1.698 1.00 0.00 N ATOM 1336 CA LEU A 82 -26.913 14.870 -3.147 1.00 0.00 C ATOM 1337 C LEU A 82 -26.099 16.029 -3.713 1.00 0.00 C ATOM 1338 O LEU A 82 -26.244 17.171 -3.282 1.00 0.00 O ATOM 1339 CB LEU A 82 -28.297 14.839 -3.800 1.00 0.00 C ATOM 1340 CG LEU A 82 -28.458 13.884 -4.983 1.00 0.00 C ATOM 1341 CD1 LEU A 82 -27.526 14.277 -6.117 1.00 0.00 C ATOM 1342 CD2 LEU A 82 -28.200 12.448 -4.550 1.00 0.00 C ATOM 0 H LEU A 82 -26.732 15.875 -1.315 1.00 0.00 H new ATOM 0 HA LEU A 82 -26.391 13.939 -3.370 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -29.030 14.570 -3.039 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -28.541 15.847 -4.136 1.00 0.00 H new ATOM 0 HG LEU A 82 -29.484 13.954 -5.344 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -27.655 13.586 -6.950 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -27.760 15.289 -6.446 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -26.494 14.238 -5.770 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -28.319 11.783 -5.405 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -27.185 12.362 -4.162 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -28.911 12.169 -3.772 1.00 0.00 H new ATOM 1354 N ASN A 83 -25.241 15.726 -4.682 1.00 0.00 N ATOM 1355 CA ASN A 83 -24.405 16.742 -5.309 1.00 0.00 C ATOM 1356 C ASN A 83 -23.572 16.141 -6.437 1.00 0.00 C ATOM 1357 O ASN A 83 -23.097 15.010 -6.336 1.00 0.00 O ATOM 1358 CB ASN A 83 -23.486 17.387 -4.269 1.00 0.00 C ATOM 1359 CG ASN A 83 -23.208 18.848 -4.571 1.00 0.00 C ATOM 1360 OD1 ASN A 83 -22.055 19.279 -4.594 1.00 0.00 O ATOM 1361 ND2 ASN A 83 -24.265 19.615 -4.805 1.00 0.00 N ATOM 0 H ASN A 83 -25.107 14.784 -5.050 1.00 0.00 H new ATOM 0 HA ASN A 83 -25.058 17.506 -5.731 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -23.942 17.303 -3.283 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -22.544 16.841 -4.232 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -24.140 20.605 -5.015 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -25.203 19.214 -4.775 1.00 0.00 H new ATOM 1368 N ILE A 84 -23.398 16.907 -7.509 1.00 0.00 N ATOM 1369 CA ILE A 84 -22.620 16.450 -8.655 1.00 0.00 C ATOM 1370 C ILE A 84 -21.187 16.124 -8.252 1.00 0.00 C ATOM 1371 O ILE A 84 -20.672 15.050 -8.565 1.00 0.00 O ATOM 1372 CB ILE A 84 -22.599 17.505 -9.777 1.00 0.00 C ATOM 1373 CG1 ILE A 84 -24.024 17.944 -10.122 1.00 0.00 C ATOM 1374 CG2 ILE A 84 -21.895 16.956 -11.008 1.00 0.00 C ATOM 1375 CD1 ILE A 84 -24.403 19.285 -9.536 1.00 0.00 C ATOM 0 H ILE A 84 -23.785 17.846 -7.608 1.00 0.00 H new ATOM 0 HA ILE A 84 -23.104 15.547 -9.026 1.00 0.00 H new ATOM 0 HB ILE A 84 -22.046 18.376 -9.425 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -24.129 17.988 -11.206 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -24.724 17.189 -9.764 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -21.889 17.714 -11.792 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -20.869 16.690 -10.752 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -22.422 16.070 -11.364 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -25.426 19.531 -9.822 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -24.331 19.241 -8.449 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -23.726 20.051 -9.914 1.00 0.00 H new ATOM 1387 N LEU A 85 -20.548 17.057 -7.555 1.00 0.00 N ATOM 1388 CA LEU A 85 -19.173 16.868 -7.106 1.00 0.00 C ATOM 1389 C LEU A 85 -19.083 15.739 -6.083 1.00 0.00 C ATOM 1390 O LEU A 85 -18.248 14.844 -6.205 1.00 0.00 O ATOM 1391 CB LEU A 85 -18.630 18.164 -6.500 1.00 0.00 C ATOM 1392 CG LEU A 85 -17.252 18.609 -6.990 1.00 0.00 C ATOM 1393 CD1 LEU A 85 -16.199 17.568 -6.639 1.00 0.00 C ATOM 1394 CD2 LEU A 85 -17.275 18.861 -8.490 1.00 0.00 C ATOM 0 H LEU A 85 -20.960 17.951 -7.289 1.00 0.00 H new ATOM 0 HA LEU A 85 -18.569 16.598 -7.972 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -19.342 18.963 -6.705 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -18.587 18.045 -5.417 1.00 0.00 H new ATOM 0 HG LEU A 85 -16.993 19.542 -6.489 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -15.224 17.902 -6.996 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -16.164 17.436 -5.558 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -16.453 16.620 -7.112 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -16.286 19.177 -8.821 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -17.556 17.944 -9.009 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -18.000 19.643 -8.717 1.00 0.00 H new ATOM 1406 N GLU A 86 -19.950 15.790 -5.077 1.00 0.00 N ATOM 1407 CA GLU A 86 -19.969 14.771 -4.035 1.00 0.00 C ATOM 1408 C GLU A 86 -20.183 13.383 -4.634 1.00 0.00 C ATOM 1409 O GLU A 86 -19.543 12.414 -4.225 1.00 0.00 O ATOM 1410 CB GLU A 86 -21.070 15.073 -3.015 1.00 0.00 C ATOM 1411 CG GLU A 86 -20.894 16.405 -2.306 1.00 0.00 C ATOM 1412 CD GLU A 86 -22.027 16.709 -1.345 1.00 0.00 C ATOM 1413 OE1 GLU A 86 -23.079 16.043 -1.439 1.00 0.00 O ATOM 1414 OE2 GLU A 86 -21.861 17.613 -0.500 1.00 0.00 O ATOM 0 H GLU A 86 -20.648 16.525 -4.962 1.00 0.00 H new ATOM 0 HA GLU A 86 -19.002 14.786 -3.531 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -22.035 15.065 -3.522 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -21.094 14.276 -2.272 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -19.951 16.400 -1.760 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -20.828 17.201 -3.048 1.00 0.00 H new ATOM 1421 N ARG A 87 -21.086 13.297 -5.604 1.00 0.00 N ATOM 1422 CA ARG A 87 -21.386 12.029 -6.259 1.00 0.00 C ATOM 1423 C ARG A 87 -20.171 11.511 -7.022 1.00 0.00 C ATOM 1424 O ARG A 87 -19.811 10.339 -6.915 1.00 0.00 O ATOM 1425 CB ARG A 87 -22.571 12.191 -7.213 1.00 0.00 C ATOM 1426 CG ARG A 87 -23.099 10.874 -7.757 1.00 0.00 C ATOM 1427 CD ARG A 87 -24.526 11.012 -8.262 1.00 0.00 C ATOM 1428 NE ARG A 87 -24.850 10.007 -9.271 1.00 0.00 N ATOM 1429 CZ ARG A 87 -24.359 10.018 -10.505 1.00 0.00 C ATOM 1430 NH1 ARG A 87 -23.526 10.980 -10.881 1.00 0.00 N ATOM 1431 NH2 ARG A 87 -24.700 9.068 -11.366 1.00 0.00 N ATOM 0 H ARG A 87 -21.623 14.090 -5.954 1.00 0.00 H new ATOM 0 HA ARG A 87 -21.646 11.303 -5.489 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -23.377 12.709 -6.693 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -22.271 12.825 -8.047 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -22.457 10.530 -8.568 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -23.060 10.115 -6.976 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -25.217 10.920 -7.424 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -24.666 12.007 -8.684 1.00 0.00 H new ATOM 0 HE ARG A 87 -25.489 9.255 -9.014 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -23.262 11.712 -10.222 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -23.150 10.987 -11.829 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -25.340 8.327 -11.081 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -24.322 9.078 -12.313 1.00 0.00 H new ATOM 1445 N PHE A 88 -19.543 12.393 -7.793 1.00 0.00 N ATOM 1446 CA PHE A 88 -18.370 12.025 -8.577 1.00 0.00 C ATOM 1447 C PHE A 88 -17.274 11.454 -7.680 1.00 0.00 C ATOM 1448 O PHE A 88 -16.798 10.342 -7.895 1.00 0.00 O ATOM 1449 CB PHE A 88 -17.838 13.239 -9.341 1.00 0.00 C ATOM 1450 CG PHE A 88 -16.522 12.991 -10.020 1.00 0.00 C ATOM 1451 CD1 PHE A 88 -16.412 12.035 -11.018 1.00 0.00 C ATOM 1452 CD2 PHE A 88 -15.396 13.714 -9.663 1.00 0.00 C ATOM 1453 CE1 PHE A 88 -15.201 11.805 -11.644 1.00 0.00 C ATOM 1454 CE2 PHE A 88 -14.183 13.488 -10.285 1.00 0.00 C ATOM 1455 CZ PHE A 88 -14.086 12.533 -11.278 1.00 0.00 C ATOM 0 H PHE A 88 -19.827 13.368 -7.891 1.00 0.00 H new ATOM 0 HA PHE A 88 -18.668 11.258 -9.291 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -18.573 13.538 -10.089 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -17.729 14.074 -8.649 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -17.281 11.464 -11.309 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -15.467 14.464 -8.889 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -15.127 11.056 -12.419 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -13.312 14.057 -9.995 1.00 0.00 H new ATOM 0 HZ PHE A 88 -13.140 12.356 -11.767 1.00 0.00 H new ATOM 1465 N ASN A 89 -16.880 12.228 -6.674 1.00 0.00 N ATOM 1466 CA ASN A 89 -15.839 11.803 -5.744 1.00 0.00 C ATOM 1467 C ASN A 89 -16.245 10.519 -5.026 1.00 0.00 C ATOM 1468 O ASN A 89 -15.449 9.587 -4.903 1.00 0.00 O ATOM 1469 CB ASN A 89 -15.557 12.906 -4.722 1.00 0.00 C ATOM 1470 CG ASN A 89 -14.982 14.154 -5.362 1.00 0.00 C ATOM 1471 OD1 ASN A 89 -14.895 14.253 -6.586 1.00 0.00 O ATOM 1472 ND2 ASN A 89 -14.584 15.113 -4.534 1.00 0.00 N ATOM 0 H ASN A 89 -17.265 13.153 -6.482 1.00 0.00 H new ATOM 0 HA ASN A 89 -14.932 11.608 -6.316 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -16.481 13.160 -4.202 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -14.861 12.532 -3.971 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -14.187 15.976 -4.906 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -14.676 14.987 -3.526 1.00 0.00 H new ATOM 1479 N TYR A 90 -17.486 10.478 -4.555 1.00 0.00 N ATOM 1480 CA TYR A 90 -17.996 9.309 -3.848 1.00 0.00 C ATOM 1481 C TYR A 90 -17.923 8.064 -4.727 1.00 0.00 C ATOM 1482 O TYR A 90 -17.469 7.008 -4.288 1.00 0.00 O ATOM 1483 CB TYR A 90 -19.441 9.548 -3.402 1.00 0.00 C ATOM 1484 CG TYR A 90 -19.554 10.243 -2.064 1.00 0.00 C ATOM 1485 CD1 TYR A 90 -18.678 11.263 -1.713 1.00 0.00 C ATOM 1486 CD2 TYR A 90 -20.536 9.880 -1.151 1.00 0.00 C ATOM 1487 CE1 TYR A 90 -18.778 11.900 -0.491 1.00 0.00 C ATOM 1488 CE2 TYR A 90 -20.644 10.512 0.071 1.00 0.00 C ATOM 1489 CZ TYR A 90 -19.763 11.522 0.397 1.00 0.00 C ATOM 1490 OH TYR A 90 -19.866 12.154 1.615 1.00 0.00 O ATOM 0 H TYR A 90 -18.157 11.240 -4.650 1.00 0.00 H new ATOM 0 HA TYR A 90 -17.372 9.147 -2.969 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -19.951 10.146 -4.157 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -19.959 8.591 -3.350 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -17.906 11.563 -2.407 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -21.227 9.089 -1.402 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -18.088 12.690 -0.233 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -21.414 10.217 0.768 1.00 0.00 H new ATOM 0 HH TYR A 90 -20.488 11.660 2.188 1.00 0.00 H new ATOM 1500 N GLU A 91 -18.372 8.199 -5.971 1.00 0.00 N ATOM 1501 CA GLU A 91 -18.357 7.086 -6.912 1.00 0.00 C ATOM 1502 C GLU A 91 -16.939 6.558 -7.108 1.00 0.00 C ATOM 1503 O GLU A 91 -16.679 5.368 -6.931 1.00 0.00 O ATOM 1504 CB GLU A 91 -18.942 7.519 -8.258 1.00 0.00 C ATOM 1505 CG GLU A 91 -20.460 7.602 -8.264 1.00 0.00 C ATOM 1506 CD GLU A 91 -20.996 8.417 -9.425 1.00 0.00 C ATOM 1507 OE1 GLU A 91 -20.586 9.589 -9.564 1.00 0.00 O ATOM 1508 OE2 GLU A 91 -21.823 7.884 -10.193 1.00 0.00 O ATOM 0 H GLU A 91 -18.750 9.067 -6.350 1.00 0.00 H new ATOM 0 HA GLU A 91 -18.970 6.286 -6.498 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -18.532 8.493 -8.526 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -18.622 6.816 -9.027 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -20.875 6.595 -8.310 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -20.799 8.044 -7.327 1.00 0.00 H new ATOM 1515 N GLU A 92 -16.026 7.452 -7.475 1.00 0.00 N ATOM 1516 CA GLU A 92 -14.635 7.076 -7.696 1.00 0.00 C ATOM 1517 C GLU A 92 -14.026 6.477 -6.433 1.00 0.00 C ATOM 1518 O GLU A 92 -13.398 5.420 -6.475 1.00 0.00 O ATOM 1519 CB GLU A 92 -13.820 8.292 -8.142 1.00 0.00 C ATOM 1520 CG GLU A 92 -12.472 7.933 -8.745 1.00 0.00 C ATOM 1521 CD GLU A 92 -12.543 7.715 -10.244 1.00 0.00 C ATOM 1522 OE1 GLU A 92 -12.899 8.669 -10.968 1.00 0.00 O ATOM 1523 OE2 GLU A 92 -12.244 6.588 -10.694 1.00 0.00 O ATOM 0 H GLU A 92 -16.225 8.441 -7.625 1.00 0.00 H new ATOM 0 HA GLU A 92 -14.610 6.322 -8.483 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -14.397 8.857 -8.874 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -13.663 8.947 -7.285 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -11.759 8.729 -8.531 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -12.094 7.029 -8.268 1.00 0.00 H new ATOM 1530 N ALA A 93 -14.217 7.161 -5.309 1.00 0.00 N ATOM 1531 CA ALA A 93 -13.687 6.697 -4.033 1.00 0.00 C ATOM 1532 C ALA A 93 -14.082 5.248 -3.770 1.00 0.00 C ATOM 1533 O ALA A 93 -13.237 4.417 -3.435 1.00 0.00 O ATOM 1534 CB ALA A 93 -14.174 7.592 -2.903 1.00 0.00 C ATOM 0 H ALA A 93 -14.735 8.038 -5.257 1.00 0.00 H new ATOM 0 HA ALA A 93 -12.599 6.748 -4.079 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -13.771 7.234 -1.956 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -13.838 8.614 -3.078 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -15.263 7.570 -2.865 1.00 0.00 H new ATOM 1540 N GLN A 94 -15.368 4.951 -3.923 1.00 0.00 N ATOM 1541 CA GLN A 94 -15.874 3.602 -3.700 1.00 0.00 C ATOM 1542 C GLN A 94 -15.309 2.633 -4.733 1.00 0.00 C ATOM 1543 O GLN A 94 -15.050 1.467 -4.430 1.00 0.00 O ATOM 1544 CB GLN A 94 -17.403 3.592 -3.755 1.00 0.00 C ATOM 1545 CG GLN A 94 -18.030 2.416 -3.022 1.00 0.00 C ATOM 1546 CD GLN A 94 -19.444 2.128 -3.484 1.00 0.00 C ATOM 1547 OE1 GLN A 94 -20.065 2.944 -4.166 1.00 0.00 O ATOM 1548 NE2 GLN A 94 -19.963 0.964 -3.114 1.00 0.00 N ATOM 0 H GLN A 94 -16.079 5.627 -4.201 1.00 0.00 H new ATOM 0 HA GLN A 94 -15.552 3.278 -2.710 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -17.780 4.520 -3.325 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -17.721 3.571 -4.797 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -17.415 1.529 -3.173 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -18.036 2.621 -1.952 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -19.413 0.317 -2.549 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -20.912 0.716 -3.395 1.00 0.00 H new ATOM 1557 N THR A 95 -15.120 3.121 -5.956 1.00 0.00 N ATOM 1558 CA THR A 95 -14.588 2.297 -7.033 1.00 0.00 C ATOM 1559 C THR A 95 -13.203 1.764 -6.685 1.00 0.00 C ATOM 1560 O THR A 95 -12.952 0.559 -6.761 1.00 0.00 O ATOM 1561 CB THR A 95 -14.504 3.086 -8.353 1.00 0.00 C ATOM 1562 OG1 THR A 95 -15.802 3.570 -8.718 1.00 0.00 O ATOM 1563 CG2 THR A 95 -13.950 2.214 -9.471 1.00 0.00 C ATOM 0 H THR A 95 -15.328 4.083 -6.224 1.00 0.00 H new ATOM 0 HA THR A 95 -15.275 1.460 -7.160 1.00 0.00 H new ATOM 0 HB THR A 95 -13.830 3.930 -8.204 1.00 0.00 H new ATOM 0 HG1 THR A 95 -15.998 4.390 -8.218 1.00 0.00 H new ATOM 0 HG21 THR A 95 -13.900 2.793 -10.393 1.00 0.00 H new ATOM 0 HG22 THR A 95 -12.951 1.871 -9.203 1.00 0.00 H new ATOM 0 HG23 THR A 95 -14.602 1.353 -9.618 1.00 0.00 H new ATOM 1571 N LEU A 96 -12.306 2.665 -6.301 1.00 0.00 N ATOM 1572 CA LEU A 96 -10.945 2.285 -5.940 1.00 0.00 C ATOM 1573 C LEU A 96 -10.935 1.434 -4.675 1.00 0.00 C ATOM 1574 O LEU A 96 -10.202 0.449 -4.582 1.00 0.00 O ATOM 1575 CB LEU A 96 -10.082 3.531 -5.737 1.00 0.00 C ATOM 1576 CG LEU A 96 -9.806 4.368 -6.987 1.00 0.00 C ATOM 1577 CD1 LEU A 96 -9.083 5.654 -6.620 1.00 0.00 C ATOM 1578 CD2 LEU A 96 -8.998 3.568 -7.997 1.00 0.00 C ATOM 0 H LEU A 96 -12.497 3.665 -6.232 1.00 0.00 H new ATOM 0 HA LEU A 96 -10.531 1.694 -6.757 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -10.567 4.168 -4.998 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -9.127 3.222 -5.313 1.00 0.00 H new ATOM 0 HG LEU A 96 -10.761 4.631 -7.443 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -8.895 6.236 -7.522 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -9.700 6.235 -5.935 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -8.135 5.414 -6.139 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -8.811 4.179 -8.880 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -8.048 3.274 -7.552 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.555 2.676 -8.285 1.00 0.00 H new ATOM 1590 N SER A 97 -11.755 1.818 -3.702 1.00 0.00 N ATOM 1591 CA SER A 97 -11.841 1.092 -2.441 1.00 0.00 C ATOM 1592 C SER A 97 -12.339 -0.332 -2.667 1.00 0.00 C ATOM 1593 O SER A 97 -11.839 -1.281 -2.061 1.00 0.00 O ATOM 1594 CB SER A 97 -12.770 1.822 -1.469 1.00 0.00 C ATOM 1595 OG SER A 97 -14.044 1.204 -1.421 1.00 0.00 O ATOM 0 H SER A 97 -12.370 2.629 -3.763 1.00 0.00 H new ATOM 0 HA SER A 97 -10.841 1.044 -2.009 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.327 1.828 -0.473 1.00 0.00 H new ATOM 0 HB3 SER A 97 -12.878 2.862 -1.776 1.00 0.00 H new ATOM 0 HG SER A 97 -14.619 1.688 -0.792 1.00 0.00 H new ATOM 1601 N LYS A 98 -13.327 -0.474 -3.543 1.00 0.00 N ATOM 1602 CA LYS A 98 -13.894 -1.782 -3.852 1.00 0.00 C ATOM 1603 C LYS A 98 -12.868 -2.669 -4.549 1.00 0.00 C ATOM 1604 O LYS A 98 -12.708 -3.840 -4.202 1.00 0.00 O ATOM 1605 CB LYS A 98 -15.134 -1.627 -4.736 1.00 0.00 C ATOM 1606 CG LYS A 98 -16.402 -1.324 -3.957 1.00 0.00 C ATOM 1607 CD LYS A 98 -17.638 -1.463 -4.828 1.00 0.00 C ATOM 1608 CE LYS A 98 -17.671 -0.407 -5.923 1.00 0.00 C ATOM 1609 NZ LYS A 98 -17.001 -0.877 -7.167 1.00 0.00 N ATOM 0 H LYS A 98 -13.752 0.301 -4.052 1.00 0.00 H new ATOM 0 HA LYS A 98 -14.181 -2.257 -2.914 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -14.959 -0.827 -5.455 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -15.279 -2.544 -5.308 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -16.478 -2.001 -3.106 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -16.350 -0.312 -3.556 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -17.657 -2.456 -5.278 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -18.532 -1.376 -4.210 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -18.706 -0.146 -6.144 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -17.182 0.500 -5.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -17.546 -0.562 -7.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -16.040 -0.482 -7.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -16.949 -1.916 -7.162 1.00 0.00 H new ATOM 1623 N ILE A 99 -12.173 -2.103 -5.531 1.00 0.00 N ATOM 1624 CA ILE A 99 -11.161 -2.843 -6.274 1.00 0.00 C ATOM 1625 C ILE A 99 -10.057 -3.344 -5.349 1.00 0.00 C ATOM 1626 O ILE A 99 -9.788 -4.544 -5.276 1.00 0.00 O ATOM 1627 CB ILE A 99 -10.534 -1.979 -7.383 1.00 0.00 C ATOM 1628 CG1 ILE A 99 -11.608 -1.519 -8.370 1.00 0.00 C ATOM 1629 CG2 ILE A 99 -9.443 -2.755 -8.107 1.00 0.00 C ATOM 1630 CD1 ILE A 99 -11.300 -0.189 -9.021 1.00 0.00 C ATOM 0 H ILE A 99 -12.293 -1.135 -5.830 1.00 0.00 H new ATOM 0 HA ILE A 99 -11.664 -3.696 -6.730 1.00 0.00 H new ATOM 0 HB ILE A 99 -10.085 -1.098 -6.925 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -11.725 -2.276 -9.146 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -12.562 -1.447 -7.848 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.010 -2.130 -8.888 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -8.666 -3.039 -7.397 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -9.871 -3.652 -8.555 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -12.104 0.075 -9.708 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -11.212 0.580 -8.254 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -10.362 -0.262 -9.571 1.00 0.00 H new ATOM 1642 N LEU A 100 -9.419 -2.417 -4.642 1.00 0.00 N ATOM 1643 CA LEU A 100 -8.344 -2.763 -3.720 1.00 0.00 C ATOM 1644 C LEU A 100 -8.838 -3.727 -2.646 1.00 0.00 C ATOM 1645 O LEU A 100 -8.095 -4.595 -2.186 1.00 0.00 O ATOM 1646 CB LEU A 100 -7.778 -1.500 -3.068 1.00 0.00 C ATOM 1647 CG LEU A 100 -8.510 -1.004 -1.820 1.00 0.00 C ATOM 1648 CD1 LEU A 100 -7.980 -1.700 -0.577 1.00 0.00 C ATOM 1649 CD2 LEU A 100 -8.373 0.506 -1.688 1.00 0.00 C ATOM 0 H LEU A 100 -9.628 -1.420 -4.690 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.555 -3.255 -4.288 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.737 -1.687 -2.804 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -7.781 -0.700 -3.809 1.00 0.00 H new ATOM 0 HG LEU A 100 -9.568 -1.246 -1.922 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -8.513 -1.334 0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.130 -2.776 -0.670 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -6.916 -1.490 -0.469 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.900 0.842 -0.795 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.318 0.770 -1.609 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -8.803 0.988 -2.566 1.00 0.00 H new ATOM 1661 N LEU A 101 -10.097 -3.570 -2.251 1.00 0.00 N ATOM 1662 CA LEU A 101 -10.692 -4.428 -1.232 1.00 0.00 C ATOM 1663 C LEU A 101 -10.763 -5.874 -1.711 1.00 0.00 C ATOM 1664 O LEU A 101 -10.392 -6.798 -0.987 1.00 0.00 O ATOM 1665 CB LEU A 101 -12.092 -3.928 -0.871 1.00 0.00 C ATOM 1666 CG LEU A 101 -12.172 -2.937 0.291 1.00 0.00 C ATOM 1667 CD1 LEU A 101 -13.589 -2.405 0.441 1.00 0.00 C ATOM 1668 CD2 LEU A 101 -11.707 -3.592 1.583 1.00 0.00 C ATOM 0 H LEU A 101 -10.725 -2.857 -2.621 1.00 0.00 H new ATOM 0 HA LEU A 101 -10.059 -4.390 -0.345 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -12.527 -3.458 -1.753 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -12.713 -4.791 -0.630 1.00 0.00 H new ATOM 0 HG LEU A 101 -11.511 -2.098 0.074 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -13.627 -1.701 1.273 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -13.887 -1.898 -0.477 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -14.270 -3.234 0.635 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -11.771 -2.872 2.399 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -12.342 -4.450 1.805 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -10.675 -3.924 1.472 1.00 0.00 H new ATOM 1680 N LYS A 102 -11.239 -6.062 -2.937 1.00 0.00 N ATOM 1681 CA LYS A 102 -11.357 -7.395 -3.515 1.00 0.00 C ATOM 1682 C LYS A 102 -9.987 -8.054 -3.647 1.00 0.00 C ATOM 1683 O LYS A 102 -9.807 -9.213 -3.275 1.00 0.00 O ATOM 1684 CB LYS A 102 -12.032 -7.320 -4.887 1.00 0.00 C ATOM 1685 CG LYS A 102 -13.527 -7.063 -4.816 1.00 0.00 C ATOM 1686 CD LYS A 102 -14.131 -6.897 -6.200 1.00 0.00 C ATOM 1687 CE LYS A 102 -13.601 -5.652 -6.894 1.00 0.00 C ATOM 1688 NZ LYS A 102 -14.259 -5.428 -8.211 1.00 0.00 N ATOM 0 H LYS A 102 -11.549 -5.308 -3.550 1.00 0.00 H new ATOM 0 HA LYS A 102 -11.970 -8.001 -2.847 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -11.563 -6.528 -5.471 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -11.857 -8.255 -5.420 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -14.015 -7.891 -4.302 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -13.715 -6.166 -4.226 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -13.905 -7.776 -6.804 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -15.216 -6.836 -6.119 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -13.762 -4.784 -6.255 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -12.525 -5.747 -7.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -13.870 -4.570 -8.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -14.084 -6.245 -8.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -15.283 -5.312 -8.072 1.00 0.00 H new ATOM 1702 N ASP A 103 -9.025 -7.306 -4.177 1.00 0.00 N ATOM 1703 CA ASP A 103 -7.671 -7.817 -4.355 1.00 0.00 C ATOM 1704 C ASP A 103 -7.023 -8.119 -3.007 1.00 0.00 C ATOM 1705 O ASP A 103 -6.218 -9.044 -2.887 1.00 0.00 O ATOM 1706 CB ASP A 103 -6.820 -6.809 -5.129 1.00 0.00 C ATOM 1707 CG ASP A 103 -5.936 -7.472 -6.166 1.00 0.00 C ATOM 1708 OD1 ASP A 103 -5.764 -8.708 -6.097 1.00 0.00 O ATOM 1709 OD2 ASP A 103 -5.418 -6.757 -7.049 1.00 0.00 O ATOM 0 H ASP A 103 -9.158 -6.345 -4.491 1.00 0.00 H new ATOM 0 HA ASP A 103 -7.731 -8.744 -4.925 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -7.473 -6.088 -5.620 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -6.198 -6.250 -4.430 1.00 0.00 H new ATOM 1714 N LEU A 104 -7.376 -7.333 -1.997 1.00 0.00 N ATOM 1715 CA LEU A 104 -6.828 -7.515 -0.657 1.00 0.00 C ATOM 1716 C LEU A 104 -7.286 -8.841 -0.058 1.00 0.00 C ATOM 1717 O LEU A 104 -6.467 -9.675 0.330 1.00 0.00 O ATOM 1718 CB LEU A 104 -7.252 -6.359 0.251 1.00 0.00 C ATOM 1719 CG LEU A 104 -6.279 -5.183 0.339 1.00 0.00 C ATOM 1720 CD1 LEU A 104 -6.845 -4.086 1.227 1.00 0.00 C ATOM 1721 CD2 LEU A 104 -4.926 -5.649 0.859 1.00 0.00 C ATOM 0 H LEU A 104 -8.040 -6.563 -2.080 1.00 0.00 H new ATOM 0 HA LEU A 104 -5.741 -7.528 -0.734 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.214 -5.983 -0.098 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.408 -6.751 1.256 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.141 -4.775 -0.662 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -6.138 -3.258 1.277 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.789 -3.733 0.812 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.014 -4.480 2.229 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.246 -4.799 0.915 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.047 -6.083 1.851 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.515 -6.399 0.183 1.00 0.00 H new ATOM 1733 N LYS A 105 -8.599 -9.030 0.014 1.00 0.00 N ATOM 1734 CA LYS A 105 -9.168 -10.255 0.563 1.00 0.00 C ATOM 1735 C LYS A 105 -8.664 -11.478 -0.199 1.00 0.00 C ATOM 1736 O LYS A 105 -8.329 -12.499 0.401 1.00 0.00 O ATOM 1737 CB LYS A 105 -10.696 -10.202 0.509 1.00 0.00 C ATOM 1738 CG LYS A 105 -11.247 -9.937 -0.881 1.00 0.00 C ATOM 1739 CD LYS A 105 -12.761 -9.811 -0.866 1.00 0.00 C ATOM 1740 CE LYS A 105 -13.375 -10.318 -2.161 1.00 0.00 C ATOM 1741 NZ LYS A 105 -14.733 -9.751 -2.390 1.00 0.00 N ATOM 0 H LYS A 105 -9.290 -8.349 -0.301 1.00 0.00 H new ATOM 0 HA LYS A 105 -8.850 -10.339 1.602 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -11.097 -11.147 0.875 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.048 -9.423 1.185 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -10.809 -9.022 -1.279 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -10.955 -10.747 -1.550 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -13.166 -10.374 -0.025 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -13.039 -8.768 -0.714 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -12.727 -10.057 -2.997 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.436 -11.406 -2.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -15.104 -10.094 -3.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -15.368 -10.050 -1.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -14.677 -8.713 -2.409 1.00 0.00 H new ATOM 1755 N GLU A 106 -8.611 -11.364 -1.523 1.00 0.00 N ATOM 1756 CA GLU A 106 -8.146 -12.460 -2.365 1.00 0.00 C ATOM 1757 C GLU A 106 -6.716 -12.850 -2.009 1.00 0.00 C ATOM 1758 O GLU A 106 -6.418 -14.024 -1.777 1.00 0.00 O ATOM 1759 CB GLU A 106 -8.228 -12.068 -3.841 1.00 0.00 C ATOM 1760 CG GLU A 106 -8.238 -13.257 -4.787 1.00 0.00 C ATOM 1761 CD GLU A 106 -9.603 -13.910 -4.889 1.00 0.00 C ATOM 1762 OE1 GLU A 106 -10.051 -14.505 -3.887 1.00 0.00 O ATOM 1763 OE2 GLU A 106 -10.222 -13.827 -5.970 1.00 0.00 O ATOM 0 H GLU A 106 -8.884 -10.525 -2.035 1.00 0.00 H new ATOM 0 HA GLU A 106 -8.793 -13.320 -2.189 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -9.131 -11.479 -4.002 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -7.381 -11.427 -4.086 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -7.920 -12.931 -5.777 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -7.511 -13.994 -4.446 1.00 0.00 H new ATOM 1770 N THR A 107 -5.830 -11.859 -1.968 1.00 0.00 N ATOM 1771 CA THR A 107 -4.430 -12.099 -1.643 1.00 0.00 C ATOM 1772 C THR A 107 -4.289 -12.785 -0.289 1.00 0.00 C ATOM 1773 O THR A 107 -3.534 -13.746 -0.146 1.00 0.00 O ATOM 1774 CB THR A 107 -3.625 -10.785 -1.626 1.00 0.00 C ATOM 1775 OG1 THR A 107 -3.835 -10.067 -2.847 1.00 0.00 O ATOM 1776 CG2 THR A 107 -2.141 -11.063 -1.443 1.00 0.00 C ATOM 0 H THR A 107 -6.058 -10.883 -2.156 1.00 0.00 H new ATOM 0 HA THR A 107 -4.032 -12.751 -2.420 1.00 0.00 H new ATOM 0 HB THR A 107 -3.971 -10.182 -0.787 1.00 0.00 H new ATOM 0 HG1 THR A 107 -4.586 -9.448 -2.737 1.00 0.00 H new ATOM 0 HG21 THR A 107 -1.593 -10.121 -1.434 1.00 0.00 H new ATOM 0 HG22 THR A 107 -1.982 -11.584 -0.499 1.00 0.00 H new ATOM 0 HG23 THR A 107 -1.783 -11.683 -2.265 1.00 0.00 H new ATOM 1784 N GLU A 108 -5.022 -12.285 0.702 1.00 0.00 N ATOM 1785 CA GLU A 108 -4.977 -12.851 2.045 1.00 0.00 C ATOM 1786 C GLU A 108 -5.443 -14.304 2.038 1.00 0.00 C ATOM 1787 O GLU A 108 -4.902 -15.144 2.757 1.00 0.00 O ATOM 1788 CB GLU A 108 -5.846 -12.029 2.999 1.00 0.00 C ATOM 1789 CG GLU A 108 -5.351 -12.038 4.435 1.00 0.00 C ATOM 1790 CD GLU A 108 -6.418 -11.608 5.422 1.00 0.00 C ATOM 1791 OE1 GLU A 108 -7.233 -10.730 5.071 1.00 0.00 O ATOM 1792 OE2 GLU A 108 -6.438 -12.149 6.547 1.00 0.00 O ATOM 0 H GLU A 108 -5.653 -11.490 0.600 1.00 0.00 H new ATOM 0 HA GLU A 108 -3.944 -12.820 2.390 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -5.886 -10.999 2.644 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -6.865 -12.415 2.973 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -5.007 -13.040 4.691 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -4.491 -11.374 4.523 1.00 0.00 H new ATOM 1799 N GLN A 109 -6.451 -14.592 1.221 1.00 0.00 N ATOM 1800 CA GLN A 109 -6.991 -15.943 1.122 1.00 0.00 C ATOM 1801 C GLN A 109 -5.974 -16.893 0.499 1.00 0.00 C ATOM 1802 O GLN A 109 -5.882 -18.059 0.879 1.00 0.00 O ATOM 1803 CB GLN A 109 -8.278 -15.941 0.294 1.00 0.00 C ATOM 1804 CG GLN A 109 -9.140 -17.175 0.508 1.00 0.00 C ATOM 1805 CD GLN A 109 -10.491 -17.066 -0.171 1.00 0.00 C ATOM 1806 OE1 GLN A 109 -10.865 -16.005 -0.671 1.00 0.00 O ATOM 1807 NE2 GLN A 109 -11.234 -18.167 -0.192 1.00 0.00 N ATOM 0 H GLN A 109 -6.910 -13.909 0.619 1.00 0.00 H new ATOM 0 HA GLN A 109 -7.215 -16.291 2.130 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -8.860 -15.054 0.544 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -8.021 -15.866 -0.763 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -8.615 -18.051 0.127 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -9.286 -17.331 1.577 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -10.886 -19.026 0.234 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -12.153 -18.154 -0.635 1.00 0.00 H new ATOM 1816 N LYS A 110 -5.210 -16.384 -0.462 1.00 0.00 N ATOM 1817 CA LYS A 110 -4.197 -17.184 -1.140 1.00 0.00 C ATOM 1818 C LYS A 110 -3.039 -17.506 -0.200 1.00 0.00 C ATOM 1819 O LYS A 110 -2.623 -18.659 -0.082 1.00 0.00 O ATOM 1820 CB LYS A 110 -3.675 -16.447 -2.375 1.00 0.00 C ATOM 1821 CG LYS A 110 -4.419 -16.797 -3.652 1.00 0.00 C ATOM 1822 CD LYS A 110 -5.817 -16.200 -3.665 1.00 0.00 C ATOM 1823 CE LYS A 110 -6.676 -16.815 -4.758 1.00 0.00 C ATOM 1824 NZ LYS A 110 -7.270 -18.113 -4.333 1.00 0.00 N ATOM 0 H LYS A 110 -5.273 -15.420 -0.789 1.00 0.00 H new ATOM 0 HA LYS A 110 -4.660 -18.120 -1.453 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -3.748 -15.373 -2.205 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -2.618 -16.678 -2.506 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -3.858 -16.432 -4.512 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -4.484 -17.881 -3.751 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -6.291 -16.359 -2.696 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -5.752 -15.122 -3.815 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -7.473 -16.122 -5.027 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -6.072 -16.968 -5.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -7.848 -18.500 -5.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -6.510 -18.783 -4.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -7.867 -17.964 -3.495 1.00 0.00 H new ATOM 1838 N VAL A 111 -2.524 -16.479 0.469 1.00 0.00 N ATOM 1839 CA VAL A 111 -1.416 -16.653 1.401 1.00 0.00 C ATOM 1840 C VAL A 111 -1.811 -17.561 2.560 1.00 0.00 C ATOM 1841 O VAL A 111 -1.015 -18.382 3.018 1.00 0.00 O ATOM 1842 CB VAL A 111 -0.937 -15.300 1.962 1.00 0.00 C ATOM 1843 CG1 VAL A 111 -2.090 -14.560 2.624 1.00 0.00 C ATOM 1844 CG2 VAL A 111 0.207 -15.507 2.943 1.00 0.00 C ATOM 0 H VAL A 111 -2.856 -15.518 0.383 1.00 0.00 H new ATOM 0 HA VAL A 111 -0.602 -17.115 0.843 1.00 0.00 H new ATOM 0 HB VAL A 111 -0.572 -14.691 1.135 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -1.734 -13.607 3.015 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -2.876 -14.381 1.891 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -2.487 -15.162 3.442 1.00 0.00 H new ATOM 0 HG21 VAL A 111 0.534 -14.542 3.330 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -0.131 -16.134 3.769 1.00 0.00 H new ATOM 0 HG23 VAL A 111 1.039 -15.994 2.434 1.00 0.00 H new ATOM 1854 N LYS A 112 -3.043 -17.409 3.031 1.00 0.00 N ATOM 1855 CA LYS A 112 -3.546 -18.217 4.136 1.00 0.00 C ATOM 1856 C LYS A 112 -3.917 -19.617 3.662 1.00 0.00 C ATOM 1857 O LYS A 112 -3.905 -20.571 4.441 1.00 0.00 O ATOM 1858 CB LYS A 112 -4.763 -17.543 4.774 1.00 0.00 C ATOM 1859 CG LYS A 112 -6.090 -18.044 4.230 1.00 0.00 C ATOM 1860 CD LYS A 112 -7.210 -17.050 4.489 1.00 0.00 C ATOM 1861 CE LYS A 112 -7.406 -16.807 5.977 1.00 0.00 C ATOM 1862 NZ LYS A 112 -7.540 -18.082 6.735 1.00 0.00 N ATOM 0 H LYS A 112 -3.713 -16.733 2.665 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.754 -18.303 4.880 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -4.736 -17.708 5.851 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -4.697 -16.467 4.614 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -6.001 -18.222 3.158 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -6.336 -19.000 4.693 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -6.983 -16.107 3.992 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -8.137 -17.424 4.055 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -6.561 -16.240 6.367 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -8.297 -16.198 6.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -7.904 -17.882 7.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -8.200 -18.714 6.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -6.610 -18.541 6.809 1.00 0.00 H new ATOM 1876 N ASP A 113 -4.246 -19.735 2.379 1.00 0.00 N ATOM 1877 CA ASP A 113 -4.619 -21.022 1.801 1.00 0.00 C ATOM 1878 C ASP A 113 -3.396 -21.922 1.648 1.00 0.00 C ATOM 1879 O ASP A 113 -3.449 -23.113 1.958 1.00 0.00 O ATOM 1880 CB ASP A 113 -5.290 -20.817 0.442 1.00 0.00 C ATOM 1881 CG ASP A 113 -6.795 -20.678 0.555 1.00 0.00 C ATOM 1882 OD1 ASP A 113 -7.294 -20.529 1.691 1.00 0.00 O ATOM 1883 OD2 ASP A 113 -7.476 -20.716 -0.491 1.00 0.00 O ATOM 0 H ASP A 113 -4.262 -18.956 1.721 1.00 0.00 H new ATOM 0 HA ASP A 113 -5.323 -21.508 2.476 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -4.880 -19.925 -0.031 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -5.054 -21.660 -0.208 1.00 0.00 H new ATOM 1888 N ILE A 114 -2.300 -21.347 1.167 1.00 0.00 N ATOM 1889 CA ILE A 114 -1.066 -22.099 0.973 1.00 0.00 C ATOM 1890 C ILE A 114 -0.609 -22.750 2.274 1.00 0.00 C ATOM 1891 O ILE A 114 -0.571 -22.105 3.322 1.00 0.00 O ATOM 1892 CB ILE A 114 0.063 -21.198 0.438 1.00 0.00 C ATOM 1893 CG1 ILE A 114 0.068 -21.205 -1.092 1.00 0.00 C ATOM 1894 CG2 ILE A 114 1.409 -21.659 0.980 1.00 0.00 C ATOM 1895 CD1 ILE A 114 -1.153 -20.554 -1.702 1.00 0.00 C ATOM 0 H ILE A 114 -2.241 -20.363 0.904 1.00 0.00 H new ATOM 0 HA ILE A 114 -1.280 -22.874 0.238 1.00 0.00 H new ATOM 0 HB ILE A 114 -0.114 -20.177 0.777 1.00 0.00 H new ATOM 0 HG12 ILE A 114 0.960 -20.689 -1.447 1.00 0.00 H new ATOM 0 HG13 ILE A 114 0.134 -22.235 -1.443 1.00 0.00 H new ATOM 0 HG21 ILE A 114 2.197 -21.013 0.594 1.00 0.00 H new ATOM 0 HG22 ILE A 114 1.399 -21.608 2.069 1.00 0.00 H new ATOM 0 HG23 ILE A 114 1.595 -22.686 0.666 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -1.082 -20.595 -2.789 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -2.048 -21.083 -1.376 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -1.209 -19.514 -1.381 1.00 0.00 H new ATOM 1907 N GLN A 115 -0.261 -24.030 2.198 1.00 0.00 N ATOM 1908 CA GLN A 115 0.196 -24.768 3.370 1.00 0.00 C ATOM 1909 C GLN A 115 1.690 -24.559 3.597 1.00 0.00 C ATOM 1910 O GLN A 115 2.476 -24.540 2.650 1.00 0.00 O ATOM 1911 CB GLN A 115 -0.104 -26.259 3.209 1.00 0.00 C ATOM 1912 CG GLN A 115 0.545 -26.881 1.984 1.00 0.00 C ATOM 1913 CD GLN A 115 -0.372 -27.853 1.268 1.00 0.00 C ATOM 1914 OE1 GLN A 115 -1.592 -27.681 1.258 1.00 0.00 O ATOM 1915 NE2 GLN A 115 0.210 -28.881 0.663 1.00 0.00 N ATOM 0 H GLN A 115 -0.287 -24.578 1.338 1.00 0.00 H new ATOM 0 HA GLN A 115 -0.341 -24.388 4.239 1.00 0.00 H new ATOM 0 HB2 GLN A 115 0.237 -26.788 4.099 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -1.183 -26.400 3.149 1.00 0.00 H new ATOM 0 HG2 GLN A 115 0.841 -26.091 1.294 1.00 0.00 H new ATOM 0 HG3 GLN A 115 1.455 -27.400 2.284 1.00 0.00 H new ATOM 0 HE21 GLN A 115 1.224 -28.985 0.696 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -0.357 -29.567 0.165 1.00 0.00 H new ATOM 1924 N THR A 116 2.075 -24.403 4.860 1.00 0.00 N ATOM 1925 CA THR A 116 3.474 -24.194 5.212 1.00 0.00 C ATOM 1926 C THR A 116 3.800 -24.818 6.564 1.00 0.00 C ATOM 1927 O THR A 116 2.906 -25.083 7.366 1.00 0.00 O ATOM 1928 CB THR A 116 3.826 -22.694 5.253 1.00 0.00 C ATOM 1929 OG1 THR A 116 3.135 -22.059 6.334 1.00 0.00 O ATOM 1930 CG2 THR A 116 3.459 -22.018 3.941 1.00 0.00 C ATOM 0 H THR A 116 1.437 -24.417 5.656 1.00 0.00 H new ATOM 0 HA THR A 116 4.070 -24.678 4.438 1.00 0.00 H new ATOM 0 HB THR A 116 4.901 -22.598 5.404 1.00 0.00 H new ATOM 0 HG1 THR A 116 2.410 -21.505 5.978 1.00 0.00 H new ATOM 0 HG21 THR A 116 3.716 -20.960 3.992 1.00 0.00 H new ATOM 0 HG22 THR A 116 4.009 -22.486 3.124 1.00 0.00 H new ATOM 0 HG23 THR A 116 2.389 -22.123 3.765 1.00 0.00 H new ATOM 1938 N GLN A 117 5.086 -25.049 6.809 1.00 0.00 N ATOM 1939 CA GLN A 117 5.529 -25.643 8.065 1.00 0.00 C ATOM 1940 C GLN A 117 4.590 -26.764 8.499 1.00 0.00 C ATOM 1941 O GLN A 117 5.031 -27.794 9.010 1.00 0.00 O ATOM 1942 CB GLN A 117 5.607 -24.575 9.157 1.00 0.00 C ATOM 1943 CG GLN A 117 4.247 -24.125 9.667 1.00 0.00 C ATOM 1944 CD GLN A 117 4.348 -23.220 10.879 1.00 0.00 C ATOM 1945 OE1 GLN A 117 4.395 -21.996 10.753 1.00 0.00 O ATOM 1946 NE2 GLN A 117 4.379 -23.819 12.064 1.00 0.00 N ATOM 0 H GLN A 117 5.839 -24.834 6.155 1.00 0.00 H new ATOM 0 HA GLN A 117 6.521 -26.067 7.908 1.00 0.00 H new ATOM 0 HB2 GLN A 117 6.189 -24.964 9.993 1.00 0.00 H new ATOM 0 HB3 GLN A 117 6.145 -23.710 8.770 1.00 0.00 H new ATOM 0 HG2 GLN A 117 3.720 -23.601 8.870 1.00 0.00 H new ATOM 0 HG3 GLN A 117 3.651 -25.001 9.921 1.00 0.00 H new ATOM 0 HE21 GLN A 117 4.338 -24.836 12.122 1.00 0.00 H new ATOM 0 HE22 GLN A 117 4.444 -23.262 12.916 1.00 0.00 H new TER 1955 GLN A 117