USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 767 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 29 GLN : amide:sc= 1.11 K(o=1.9,f=-2.3!) USER MOD Set 1.2: A 92 GLN : amide:sc= 0.769 K(o=1.9,f=-4.8!) USER MOD Set 2.1: A 2 SER OG : rot 60:sc= 1.84 USER MOD Set 2.2: A 7 LYS NZ :NH3+ 170:sc= 1.24 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -159:sc= 1.21 (180deg=0.321) USER MOD Single : A 4 GLN : amide:sc= 1.11 K(o=1.1,f=-0.0017) USER MOD Single : A 9 SER OG : rot 101:sc= 1.27 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0123 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot -35:sc= 1.27 USER MOD Single : A 23 LYS NZ :NH3+ -169:sc= 1.25 (180deg=1.2) USER MOD Single : A 25 LYS NZ :NH3+ -158:sc= 2.38 (180deg=-0.0273) USER MOD Single : A 31 SER OG : rot -44:sc= 0.927 USER MOD Single : A 32 SER OG : rot 180:sc= 0.0606 USER MOD Single : A 35 HIS : no HE2:sc= -0.858 K(o=-0.86,f=-2.6!) USER MOD Single : A 37 LYS NZ :NH3+ 159:sc= 0.987 (180deg=0.0266) USER MOD Single : A 39 LYS NZ :NH3+ -169:sc= 1.27 (180deg=1.14) USER MOD Single : A 40 MET CE :methyl 167:sc= -0.161 (180deg=-0.683) USER MOD Single : A 41 THR OG1 : rot 67:sc= 0.854 USER MOD Single : A 42 THR OG1 : rot 160:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.266 X(o=-0.27,f=-0.066) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -165:sc= 1.64 (180deg=1.51) USER MOD Single : A 50 SER OG : rot 111:sc= 1.27 USER MOD Single : A 51 TYR OH : rot 70:sc= -0.132 USER MOD Single : A 52 CYS SG : rot 73:sc= 0.915 USER MOD Single : A 53 GLN : amide:sc= -1.25 K(o=-1.2,f=-2.1) USER MOD Single : A 55 GLN : amide:sc= 1.17 K(o=1.2,f=-1.2) USER MOD Single : A 59 MET CE :methyl -159:sc= 0 (180deg=-0.0569) USER MOD Single : A 60 ASN : amide:sc= 1.17 K(o=1.2,f=-0.011) USER MOD Single : A 61 SER OG : rot 180:sc= -0.107 USER MOD Single : A 69 GLN : amide:sc= 0.793 K(o=0.79,f=-1.8!) USER MOD Single : A 74 ASN : amide:sc= 0.347 K(o=0.35,f=-2.2!) USER MOD Single : A 75 HIS : no HD1:sc= -0.596 K(o=-0.6,f=-2.4!) USER MOD Single : A 76 THR OG1 : rot -150:sc= -0.951 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -175:sc= 0 (180deg=-0.065) USER MOD Single : A 91 TYR OH : rot -62:sc= 1.3 USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 87.550 -6.740 13.941 1.00 0.00 N ATOM 2 CA MET A 1 86.538 -6.954 15.023 1.00 0.00 C ATOM 3 C MET A 1 85.386 -7.857 14.553 1.00 0.00 C ATOM 4 O MET A 1 85.358 -9.052 14.853 1.00 0.00 O ATOM 5 CB MET A 1 85.986 -5.606 15.496 1.00 0.00 C ATOM 6 CG MET A 1 86.083 -5.402 17.001 1.00 0.00 C ATOM 7 SD MET A 1 84.749 -6.217 17.900 1.00 0.00 S ATOM 8 CE MET A 1 85.425 -6.245 19.556 1.00 0.00 C ATOM 0 H1 MET A 1 88.454 -6.447 14.364 1.00 0.00 H new ATOM 0 H2 MET A 1 87.686 -7.625 13.413 1.00 0.00 H new ATOM 0 H3 MET A 1 87.214 -5.999 13.293 1.00 0.00 H new ATOM 0 HA MET A 1 87.037 -7.456 15.852 1.00 0.00 H new ATOM 0 HB2 MET A 1 86.528 -4.805 14.994 1.00 0.00 H new ATOM 0 HB3 MET A 1 84.942 -5.524 15.193 1.00 0.00 H new ATOM 0 HG2 MET A 1 87.041 -5.784 17.355 1.00 0.00 H new ATOM 0 HG3 MET A 1 86.065 -4.335 17.221 1.00 0.00 H new ATOM 0 HE1 MET A 1 84.714 -6.720 20.231 1.00 0.00 H new ATOM 0 HE2 MET A 1 86.359 -6.807 19.558 1.00 0.00 H new ATOM 0 HE3 MET A 1 85.615 -5.225 19.889 1.00 0.00 H new ATOM 18 N SER A 2 84.442 -7.282 13.810 1.00 0.00 N ATOM 19 CA SER A 2 83.298 -8.040 13.299 1.00 0.00 C ATOM 20 C SER A 2 83.645 -8.717 11.970 1.00 0.00 C ATOM 21 O SER A 2 83.041 -8.437 10.933 1.00 0.00 O ATOM 22 CB SER A 2 82.083 -7.120 13.127 1.00 0.00 C ATOM 23 OG SER A 2 82.292 -6.189 12.079 1.00 0.00 O ATOM 0 H SER A 2 84.445 -6.296 13.548 1.00 0.00 H new ATOM 0 HA SER A 2 83.050 -8.816 14.024 1.00 0.00 H new ATOM 0 HB2 SER A 2 81.197 -7.718 12.915 1.00 0.00 H new ATOM 0 HB3 SER A 2 81.892 -6.587 14.058 1.00 0.00 H new ATOM 0 HG SER A 2 82.435 -6.670 11.238 1.00 0.00 H new ATOM 29 N ASP A 3 84.626 -9.611 12.009 1.00 0.00 N ATOM 30 CA ASP A 3 85.069 -10.323 10.814 1.00 0.00 C ATOM 31 C ASP A 3 84.298 -11.634 10.629 1.00 0.00 C ATOM 32 O ASP A 3 84.820 -12.718 10.888 1.00 0.00 O ATOM 33 CB ASP A 3 86.573 -10.594 10.897 1.00 0.00 C ATOM 34 CG ASP A 3 87.393 -9.317 10.909 1.00 0.00 C ATOM 35 OD1 ASP A 3 87.462 -8.661 11.975 1.00 0.00 O ATOM 36 OD2 ASP A 3 87.966 -8.969 9.856 1.00 0.00 O ATOM 0 H ASP A 3 85.132 -9.861 12.858 1.00 0.00 H new ATOM 0 HA ASP A 3 84.866 -9.695 9.947 1.00 0.00 H new ATOM 0 HB2 ASP A 3 86.786 -11.168 11.799 1.00 0.00 H new ATOM 0 HB3 ASP A 3 86.876 -11.209 10.049 1.00 0.00 H new ATOM 41 N GLN A 4 83.053 -11.523 10.173 1.00 0.00 N ATOM 42 CA GLN A 4 82.208 -12.695 9.951 1.00 0.00 C ATOM 43 C GLN A 4 81.928 -12.909 8.460 1.00 0.00 C ATOM 44 O GLN A 4 80.817 -13.275 8.075 1.00 0.00 O ATOM 45 CB GLN A 4 80.887 -12.548 10.719 1.00 0.00 C ATOM 46 CG GLN A 4 80.257 -11.166 10.608 1.00 0.00 C ATOM 47 CD GLN A 4 78.742 -11.215 10.580 1.00 0.00 C ATOM 48 OE1 GLN A 4 78.101 -11.592 11.557 1.00 0.00 O ATOM 49 NE2 GLN A 4 78.156 -10.830 9.458 1.00 0.00 N ATOM 0 H GLN A 4 82.606 -10.634 9.950 1.00 0.00 H new ATOM 0 HA GLN A 4 82.744 -13.569 10.321 1.00 0.00 H new ATOM 0 HB2 GLN A 4 80.179 -13.290 10.349 1.00 0.00 H new ATOM 0 HB3 GLN A 4 81.063 -12.772 11.771 1.00 0.00 H new ATOM 0 HG2 GLN A 4 80.581 -10.555 11.450 1.00 0.00 H new ATOM 0 HG3 GLN A 4 80.618 -10.678 9.702 1.00 0.00 H new ATOM 0 HE21 GLN A 4 78.722 -10.523 8.667 1.00 0.00 H new ATOM 0 HE22 GLN A 4 77.139 -10.840 9.384 1.00 0.00 H new ATOM 58 N GLU A 5 82.958 -12.680 7.634 1.00 0.00 N ATOM 59 CA GLU A 5 82.869 -12.832 6.172 1.00 0.00 C ATOM 60 C GLU A 5 81.970 -11.762 5.541 1.00 0.00 C ATOM 61 O GLU A 5 82.457 -10.829 4.900 1.00 0.00 O ATOM 62 CB GLU A 5 82.377 -14.235 5.791 1.00 0.00 C ATOM 63 CG GLU A 5 83.212 -14.901 4.707 1.00 0.00 C ATOM 64 CD GLU A 5 82.801 -16.339 4.455 1.00 0.00 C ATOM 65 OE1 GLU A 5 81.772 -16.552 3.779 1.00 0.00 O ATOM 66 OE2 GLU A 5 83.508 -17.252 4.929 1.00 0.00 O ATOM 0 H GLU A 5 83.878 -12.384 7.959 1.00 0.00 H new ATOM 0 HA GLU A 5 83.876 -12.698 5.776 1.00 0.00 H new ATOM 0 HB2 GLU A 5 82.381 -14.866 6.680 1.00 0.00 H new ATOM 0 HB3 GLU A 5 81.343 -14.169 5.452 1.00 0.00 H new ATOM 0 HG2 GLU A 5 83.119 -14.333 3.781 1.00 0.00 H new ATOM 0 HG3 GLU A 5 84.263 -14.872 4.994 1.00 0.00 H new ATOM 73 N ALA A 6 80.659 -11.898 5.723 1.00 0.00 N ATOM 74 CA ALA A 6 79.702 -10.945 5.172 1.00 0.00 C ATOM 75 C ALA A 6 79.572 -9.714 6.068 1.00 0.00 C ATOM 76 O ALA A 6 79.593 -9.821 7.296 1.00 0.00 O ATOM 77 CB ALA A 6 78.346 -11.609 4.981 1.00 0.00 C ATOM 0 H ALA A 6 80.235 -12.662 6.250 1.00 0.00 H new ATOM 0 HA ALA A 6 80.072 -10.616 4.201 1.00 0.00 H new ATOM 0 HB1 ALA A 6 77.642 -10.886 4.569 1.00 0.00 H new ATOM 0 HB2 ALA A 6 78.446 -12.450 4.295 1.00 0.00 H new ATOM 0 HB3 ALA A 6 77.978 -11.967 5.942 1.00 0.00 H new ATOM 83 N LYS A 7 79.428 -8.545 5.452 1.00 0.00 N ATOM 84 CA LYS A 7 79.299 -7.296 6.204 1.00 0.00 C ATOM 85 C LYS A 7 77.844 -6.831 6.260 1.00 0.00 C ATOM 86 O LYS A 7 77.255 -6.483 5.235 1.00 0.00 O ATOM 87 CB LYS A 7 80.176 -6.197 5.588 1.00 0.00 C ATOM 88 CG LYS A 7 81.373 -5.818 6.448 1.00 0.00 C ATOM 89 CD LYS A 7 80.966 -4.948 7.625 1.00 0.00 C ATOM 90 CE LYS A 7 81.546 -5.471 8.930 1.00 0.00 C ATOM 91 NZ LYS A 7 81.245 -4.570 10.078 1.00 0.00 N ATOM 0 H LYS A 7 79.397 -8.434 4.439 1.00 0.00 H new ATOM 0 HA LYS A 7 79.638 -7.489 7.222 1.00 0.00 H new ATOM 0 HB2 LYS A 7 80.531 -6.531 4.613 1.00 0.00 H new ATOM 0 HB3 LYS A 7 79.566 -5.310 5.418 1.00 0.00 H new ATOM 0 HG2 LYS A 7 81.859 -6.722 6.815 1.00 0.00 H new ATOM 0 HG3 LYS A 7 82.105 -5.287 5.839 1.00 0.00 H new ATOM 0 HD2 LYS A 7 81.306 -3.926 7.458 1.00 0.00 H new ATOM 0 HD3 LYS A 7 79.879 -4.915 7.696 1.00 0.00 H new ATOM 0 HE2 LYS A 7 81.143 -6.463 9.133 1.00 0.00 H new ATOM 0 HE3 LYS A 7 82.626 -5.580 8.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 81.507 -5.041 10.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 81.789 -3.689 9.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 80.229 -4.350 10.090 1.00 0.00 H new ATOM 105 N PRO A 8 77.244 -6.814 7.465 1.00 0.00 N ATOM 106 CA PRO A 8 75.856 -6.388 7.655 1.00 0.00 C ATOM 107 C PRO A 8 75.705 -4.864 7.720 1.00 0.00 C ATOM 108 O PRO A 8 75.297 -4.308 8.740 1.00 0.00 O ATOM 109 CB PRO A 8 75.488 -7.027 8.993 1.00 0.00 C ATOM 110 CG PRO A 8 76.770 -7.073 9.756 1.00 0.00 C ATOM 111 CD PRO A 8 77.873 -7.224 8.737 1.00 0.00 C ATOM 0 HA PRO A 8 75.216 -6.688 6.825 1.00 0.00 H new ATOM 0 HB2 PRO A 8 74.735 -6.440 9.519 1.00 0.00 H new ATOM 0 HB3 PRO A 8 75.074 -8.026 8.854 1.00 0.00 H new ATOM 0 HG2 PRO A 8 76.905 -6.164 10.341 1.00 0.00 H new ATOM 0 HG3 PRO A 8 76.774 -7.907 10.457 1.00 0.00 H new ATOM 0 HD2 PRO A 8 78.729 -6.595 8.980 1.00 0.00 H new ATOM 0 HD3 PRO A 8 78.235 -8.251 8.690 1.00 0.00 H new ATOM 119 N SER A 9 76.033 -4.192 6.620 1.00 0.00 N ATOM 120 CA SER A 9 75.933 -2.736 6.551 1.00 0.00 C ATOM 121 C SER A 9 74.500 -2.295 6.269 1.00 0.00 C ATOM 122 O SER A 9 73.935 -2.610 5.221 1.00 0.00 O ATOM 123 CB SER A 9 76.870 -2.188 5.471 1.00 0.00 C ATOM 124 OG SER A 9 76.890 -3.033 4.332 1.00 0.00 O ATOM 0 H SER A 9 76.370 -4.632 5.764 1.00 0.00 H new ATOM 0 HA SER A 9 76.231 -2.334 7.520 1.00 0.00 H new ATOM 0 HB2 SER A 9 76.548 -1.188 5.180 1.00 0.00 H new ATOM 0 HB3 SER A 9 77.878 -2.093 5.874 1.00 0.00 H new ATOM 0 HG SER A 9 76.323 -2.650 3.631 1.00 0.00 H new ATOM 130 N THR A 10 73.912 -1.565 7.212 1.00 0.00 N ATOM 131 CA THR A 10 72.540 -1.076 7.066 1.00 0.00 C ATOM 132 C THR A 10 72.509 0.368 6.569 1.00 0.00 C ATOM 133 O THR A 10 71.965 0.656 5.502 1.00 0.00 O ATOM 134 CB THR A 10 71.768 -1.166 8.397 1.00 0.00 C ATOM 135 OG1 THR A 10 72.578 -0.665 9.470 1.00 0.00 O ATOM 136 CG2 THR A 10 71.359 -2.602 8.693 1.00 0.00 C ATOM 0 H THR A 10 74.363 -1.297 8.087 1.00 0.00 H new ATOM 0 HA THR A 10 72.058 -1.716 6.327 1.00 0.00 H new ATOM 0 HB THR A 10 70.867 -0.560 8.308 1.00 0.00 H new ATOM 0 HG1 THR A 10 72.079 -0.724 10.312 1.00 0.00 H new ATOM 0 HG21 THR A 10 70.816 -2.638 9.637 1.00 0.00 H new ATOM 0 HG22 THR A 10 70.719 -2.970 7.892 1.00 0.00 H new ATOM 0 HG23 THR A 10 72.249 -3.227 8.762 1.00 0.00 H new ATOM 144 N GLU A 11 73.100 1.277 7.343 1.00 0.00 N ATOM 145 CA GLU A 11 73.134 2.694 6.981 1.00 0.00 C ATOM 146 C GLU A 11 74.292 3.002 6.025 1.00 0.00 C ATOM 147 O GLU A 11 75.247 3.692 6.384 1.00 0.00 O ATOM 148 CB GLU A 11 73.251 3.559 8.240 1.00 0.00 C ATOM 149 CG GLU A 11 71.951 3.680 9.023 1.00 0.00 C ATOM 150 CD GLU A 11 72.153 4.288 10.397 1.00 0.00 C ATOM 151 OE1 GLU A 11 72.522 3.542 11.330 1.00 0.00 O ATOM 152 OE2 GLU A 11 71.942 5.509 10.542 1.00 0.00 O ATOM 0 H GLU A 11 73.562 1.058 8.225 1.00 0.00 H new ATOM 0 HA GLU A 11 72.202 2.928 6.467 1.00 0.00 H new ATOM 0 HB2 GLU A 11 74.018 3.137 8.890 1.00 0.00 H new ATOM 0 HB3 GLU A 11 73.587 4.556 7.955 1.00 0.00 H new ATOM 0 HG2 GLU A 11 71.247 4.292 8.459 1.00 0.00 H new ATOM 0 HG3 GLU A 11 71.502 2.693 9.129 1.00 0.00 H new ATOM 159 N ASP A 12 74.196 2.490 4.804 1.00 0.00 N ATOM 160 CA ASP A 12 75.231 2.710 3.797 1.00 0.00 C ATOM 161 C ASP A 12 74.775 3.733 2.755 1.00 0.00 C ATOM 162 O ASP A 12 74.210 3.374 1.720 1.00 0.00 O ATOM 163 CB ASP A 12 75.593 1.385 3.120 1.00 0.00 C ATOM 164 CG ASP A 12 77.076 1.266 2.829 1.00 0.00 C ATOM 165 OD1 ASP A 12 77.499 1.677 1.727 1.00 0.00 O ATOM 166 OD2 ASP A 12 77.814 0.768 3.704 1.00 0.00 O ATOM 0 H ASP A 12 73.413 1.919 4.486 1.00 0.00 H new ATOM 0 HA ASP A 12 76.115 3.108 4.295 1.00 0.00 H new ATOM 0 HB2 ASP A 12 75.284 0.558 3.760 1.00 0.00 H new ATOM 0 HB3 ASP A 12 75.035 1.293 2.188 1.00 0.00 H new ATOM 171 N LEU A 13 75.022 5.009 3.035 1.00 0.00 N ATOM 172 CA LEU A 13 74.634 6.084 2.121 1.00 0.00 C ATOM 173 C LEU A 13 75.734 6.365 1.091 1.00 0.00 C ATOM 174 O LEU A 13 75.470 6.423 -0.108 1.00 0.00 O ATOM 175 CB LEU A 13 74.298 7.364 2.900 1.00 0.00 C ATOM 176 CG LEU A 13 75.216 7.679 4.085 1.00 0.00 C ATOM 177 CD1 LEU A 13 75.733 9.107 3.993 1.00 0.00 C ATOM 178 CD2 LEU A 13 74.484 7.460 5.401 1.00 0.00 C ATOM 0 H LEU A 13 75.488 5.326 3.885 1.00 0.00 H new ATOM 0 HA LEU A 13 73.744 5.755 1.585 1.00 0.00 H new ATOM 0 HB2 LEU A 13 74.325 8.206 2.209 1.00 0.00 H new ATOM 0 HB3 LEU A 13 73.275 7.286 3.267 1.00 0.00 H new ATOM 0 HG LEU A 13 76.069 7.001 4.050 1.00 0.00 H new ATOM 0 HD11 LEU A 13 76.384 9.314 4.843 1.00 0.00 H new ATOM 0 HD12 LEU A 13 76.295 9.232 3.067 1.00 0.00 H new ATOM 0 HD13 LEU A 13 74.892 9.800 4.003 1.00 0.00 H new ATOM 0 HD21 LEU A 13 75.152 7.689 6.231 1.00 0.00 H new ATOM 0 HD22 LEU A 13 73.613 8.113 5.446 1.00 0.00 H new ATOM 0 HD23 LEU A 13 74.162 6.421 5.470 1.00 0.00 H new ATOM 190 N GLY A 14 76.964 6.535 1.566 1.00 0.00 N ATOM 191 CA GLY A 14 78.078 6.810 0.672 1.00 0.00 C ATOM 192 C GLY A 14 78.276 8.295 0.428 1.00 0.00 C ATOM 193 O GLY A 14 78.317 9.081 1.375 1.00 0.00 O ATOM 0 H GLY A 14 77.211 6.487 2.555 1.00 0.00 H new ATOM 0 HA2 GLY A 14 78.991 6.390 1.095 1.00 0.00 H new ATOM 0 HA3 GLY A 14 77.907 6.308 -0.281 1.00 0.00 H new ATOM 197 N ASP A 15 78.407 8.672 -0.847 1.00 0.00 N ATOM 198 CA ASP A 15 78.602 10.073 -1.246 1.00 0.00 C ATOM 199 C ASP A 15 79.838 10.692 -0.576 1.00 0.00 C ATOM 200 O ASP A 15 79.785 11.805 -0.056 1.00 0.00 O ATOM 201 CB ASP A 15 77.352 10.899 -0.922 1.00 0.00 C ATOM 202 CG ASP A 15 76.255 10.714 -1.950 1.00 0.00 C ATOM 203 OD1 ASP A 15 75.504 9.722 -1.846 1.00 0.00 O ATOM 204 OD2 ASP A 15 76.147 11.561 -2.865 1.00 0.00 O ATOM 0 H ASP A 15 78.381 8.019 -1.630 1.00 0.00 H new ATOM 0 HA ASP A 15 78.770 10.086 -2.323 1.00 0.00 H new ATOM 0 HB2 ASP A 15 76.977 10.615 0.061 1.00 0.00 H new ATOM 0 HB3 ASP A 15 77.621 11.954 -0.868 1.00 0.00 H new ATOM 209 N LYS A 16 80.952 9.963 -0.607 1.00 0.00 N ATOM 210 CA LYS A 16 82.196 10.435 0.000 1.00 0.00 C ATOM 211 C LYS A 16 82.977 11.343 -0.954 1.00 0.00 C ATOM 212 O LYS A 16 83.469 12.398 -0.558 1.00 0.00 O ATOM 213 CB LYS A 16 83.065 9.246 0.417 1.00 0.00 C ATOM 214 CG LYS A 16 82.673 8.651 1.761 1.00 0.00 C ATOM 215 CD LYS A 16 83.435 7.366 2.047 1.00 0.00 C ATOM 216 CE LYS A 16 84.485 7.569 3.128 1.00 0.00 C ATOM 217 NZ LYS A 16 83.900 7.481 4.496 1.00 0.00 N ATOM 0 H LYS A 16 81.019 9.044 -1.045 1.00 0.00 H new ATOM 0 HA LYS A 16 81.934 11.019 0.882 1.00 0.00 H new ATOM 0 HB2 LYS A 16 82.999 8.472 -0.347 1.00 0.00 H new ATOM 0 HB3 LYS A 16 84.107 9.564 0.459 1.00 0.00 H new ATOM 0 HG2 LYS A 16 82.870 9.375 2.552 1.00 0.00 H new ATOM 0 HG3 LYS A 16 81.602 8.450 1.772 1.00 0.00 H new ATOM 0 HD2 LYS A 16 82.736 6.589 2.358 1.00 0.00 H new ATOM 0 HD3 LYS A 16 83.915 7.016 1.133 1.00 0.00 H new ATOM 0 HE2 LYS A 16 85.268 6.818 3.019 1.00 0.00 H new ATOM 0 HE3 LYS A 16 84.957 8.543 2.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 84.648 7.625 5.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 83.171 8.214 4.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 83.472 6.543 4.631 1.00 0.00 H new ATOM 231 N LYS A 17 83.085 10.926 -2.213 1.00 0.00 N ATOM 232 CA LYS A 17 83.804 11.705 -3.218 1.00 0.00 C ATOM 233 C LYS A 17 82.969 11.875 -4.487 1.00 0.00 C ATOM 234 O LYS A 17 82.437 10.904 -5.027 1.00 0.00 O ATOM 235 CB LYS A 17 85.138 11.033 -3.554 1.00 0.00 C ATOM 236 CG LYS A 17 86.284 12.014 -3.738 1.00 0.00 C ATOM 237 CD LYS A 17 87.622 11.296 -3.812 1.00 0.00 C ATOM 238 CE LYS A 17 88.317 11.265 -2.459 1.00 0.00 C ATOM 239 NZ LYS A 17 89.250 12.413 -2.287 1.00 0.00 N ATOM 0 H LYS A 17 82.685 10.055 -2.561 1.00 0.00 H new ATOM 0 HA LYS A 17 83.996 12.694 -2.802 1.00 0.00 H new ATOM 0 HB2 LYS A 17 85.394 10.334 -2.758 1.00 0.00 H new ATOM 0 HB3 LYS A 17 85.021 10.448 -4.467 1.00 0.00 H new ATOM 0 HG2 LYS A 17 86.128 12.591 -4.649 1.00 0.00 H new ATOM 0 HG3 LYS A 17 86.295 12.723 -2.910 1.00 0.00 H new ATOM 0 HD2 LYS A 17 87.469 10.277 -4.167 1.00 0.00 H new ATOM 0 HD3 LYS A 17 88.263 11.794 -4.540 1.00 0.00 H new ATOM 0 HE2 LYS A 17 87.569 11.283 -1.666 1.00 0.00 H new ATOM 0 HE3 LYS A 17 88.868 10.330 -2.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 89.703 12.355 -1.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 89.979 12.382 -3.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 88.720 13.305 -2.360 1.00 0.00 H new ATOM 253 N GLU A 18 82.862 13.115 -4.961 1.00 0.00 N ATOM 254 CA GLU A 18 82.090 13.411 -6.169 1.00 0.00 C ATOM 255 C GLU A 18 82.935 13.212 -7.428 1.00 0.00 C ATOM 256 O GLU A 18 84.049 13.726 -7.530 1.00 0.00 O ATOM 257 CB GLU A 18 81.554 14.847 -6.129 1.00 0.00 C ATOM 258 CG GLU A 18 80.832 15.200 -4.837 1.00 0.00 C ATOM 259 CD GLU A 18 80.364 16.643 -4.804 1.00 0.00 C ATOM 260 OE1 GLU A 18 81.147 17.510 -4.363 1.00 0.00 O ATOM 261 OE2 GLU A 18 79.217 16.905 -5.219 1.00 0.00 O ATOM 0 H GLU A 18 83.298 13.930 -4.529 1.00 0.00 H new ATOM 0 HA GLU A 18 81.251 12.717 -6.201 1.00 0.00 H new ATOM 0 HB2 GLU A 18 82.385 15.538 -6.270 1.00 0.00 H new ATOM 0 HB3 GLU A 18 80.872 14.993 -6.967 1.00 0.00 H new ATOM 0 HG2 GLU A 18 79.973 14.541 -4.714 1.00 0.00 H new ATOM 0 HG3 GLU A 18 81.497 15.018 -3.993 1.00 0.00 H new ATOM 268 N GLY A 19 82.396 12.461 -8.386 1.00 0.00 N ATOM 269 CA GLY A 19 83.112 12.204 -9.624 1.00 0.00 C ATOM 270 C GLY A 19 82.190 11.810 -10.765 1.00 0.00 C ATOM 271 O GLY A 19 80.971 11.956 -10.665 1.00 0.00 O ATOM 0 H GLY A 19 81.475 12.026 -8.326 1.00 0.00 H new ATOM 0 HA2 GLY A 19 83.672 13.095 -9.906 1.00 0.00 H new ATOM 0 HA3 GLY A 19 83.840 11.409 -9.460 1.00 0.00 H new ATOM 275 N GLU A 20 82.767 11.296 -11.846 1.00 0.00 N ATOM 276 CA GLU A 20 81.985 10.883 -13.016 1.00 0.00 C ATOM 277 C GLU A 20 81.503 9.434 -12.884 1.00 0.00 C ATOM 278 O GLU A 20 81.878 8.567 -13.674 1.00 0.00 O ATOM 279 CB GLU A 20 82.815 11.041 -14.300 1.00 0.00 C ATOM 280 CG GLU A 20 83.457 12.415 -14.472 1.00 0.00 C ATOM 281 CD GLU A 20 84.952 12.398 -14.209 1.00 0.00 C ATOM 282 OE1 GLU A 20 85.354 11.982 -13.100 1.00 0.00 O ATOM 283 OE2 GLU A 20 85.718 12.798 -15.110 1.00 0.00 O ATOM 0 H GLU A 20 83.773 11.154 -11.941 1.00 0.00 H new ATOM 0 HA GLU A 20 81.110 11.530 -13.072 1.00 0.00 H new ATOM 0 HB2 GLU A 20 83.599 10.284 -14.306 1.00 0.00 H new ATOM 0 HB3 GLU A 20 82.174 10.843 -15.159 1.00 0.00 H new ATOM 0 HG2 GLU A 20 83.274 12.773 -15.485 1.00 0.00 H new ATOM 0 HG3 GLU A 20 82.980 13.122 -13.793 1.00 0.00 H new ATOM 290 N TYR A 21 80.667 9.184 -11.878 1.00 0.00 N ATOM 291 CA TYR A 21 80.122 7.846 -11.637 1.00 0.00 C ATOM 292 C TYR A 21 78.818 7.926 -10.846 1.00 0.00 C ATOM 293 O TYR A 21 78.610 8.854 -10.064 1.00 0.00 O ATOM 294 CB TYR A 21 81.145 6.958 -10.902 1.00 0.00 C ATOM 295 CG TYR A 21 81.894 7.648 -9.778 1.00 0.00 C ATOM 296 CD1 TYR A 21 81.272 7.929 -8.566 1.00 0.00 C ATOM 297 CD2 TYR A 21 83.229 8.005 -9.925 1.00 0.00 C ATOM 298 CE1 TYR A 21 81.957 8.545 -7.538 1.00 0.00 C ATOM 299 CE2 TYR A 21 83.920 8.624 -8.902 1.00 0.00 C ATOM 300 CZ TYR A 21 83.280 8.892 -7.711 1.00 0.00 C ATOM 301 OH TYR A 21 83.965 9.506 -6.688 1.00 0.00 O ATOM 0 H TYR A 21 80.351 9.891 -11.214 1.00 0.00 H new ATOM 0 HA TYR A 21 79.910 7.392 -12.605 1.00 0.00 H new ATOM 0 HB2 TYR A 21 80.626 6.090 -10.495 1.00 0.00 H new ATOM 0 HB3 TYR A 21 81.869 6.585 -11.627 1.00 0.00 H new ATOM 0 HD1 TYR A 21 80.235 7.661 -8.427 1.00 0.00 H new ATOM 0 HD2 TYR A 21 83.735 7.795 -10.856 1.00 0.00 H new ATOM 0 HE1 TYR A 21 81.459 8.754 -6.603 1.00 0.00 H new ATOM 0 HE2 TYR A 21 84.957 8.897 -9.034 1.00 0.00 H new ATOM 0 HH TYR A 21 83.359 10.101 -6.199 1.00 0.00 H new ATOM 311 N ILE A 22 77.936 6.957 -11.066 1.00 0.00 N ATOM 312 CA ILE A 22 76.655 6.924 -10.374 1.00 0.00 C ATOM 313 C ILE A 22 76.769 6.156 -9.057 1.00 0.00 C ATOM 314 O ILE A 22 77.408 5.105 -8.992 1.00 0.00 O ATOM 315 CB ILE A 22 75.542 6.284 -11.239 1.00 0.00 C ATOM 316 CG1 ILE A 22 75.903 6.322 -12.734 1.00 0.00 C ATOM 317 CG2 ILE A 22 74.218 6.988 -10.991 1.00 0.00 C ATOM 318 CD1 ILE A 22 75.718 7.681 -13.384 1.00 0.00 C ATOM 0 H ILE A 22 78.085 6.186 -11.717 1.00 0.00 H new ATOM 0 HA ILE A 22 76.382 7.960 -10.174 1.00 0.00 H new ATOM 0 HB ILE A 22 75.446 5.238 -10.949 1.00 0.00 H new ATOM 0 HG12 ILE A 22 76.941 6.013 -12.854 1.00 0.00 H new ATOM 0 HG13 ILE A 22 75.290 5.592 -13.263 1.00 0.00 H new ATOM 0 HG21 ILE A 22 73.442 6.530 -11.604 1.00 0.00 H new ATOM 0 HG22 ILE A 22 73.949 6.897 -9.939 1.00 0.00 H new ATOM 0 HG23 ILE A 22 74.312 8.042 -11.252 1.00 0.00 H new ATOM 0 HD11 ILE A 22 75.994 7.621 -14.437 1.00 0.00 H new ATOM 0 HD12 ILE A 22 74.675 7.986 -13.299 1.00 0.00 H new ATOM 0 HD13 ILE A 22 76.352 8.413 -12.883 1.00 0.00 H new ATOM 330 N LYS A 23 76.142 6.685 -8.008 1.00 0.00 N ATOM 331 CA LYS A 23 76.178 6.051 -6.688 1.00 0.00 C ATOM 332 C LYS A 23 75.252 4.831 -6.630 1.00 0.00 C ATOM 333 O LYS A 23 74.197 4.861 -5.995 1.00 0.00 O ATOM 334 CB LYS A 23 75.786 7.058 -5.598 1.00 0.00 C ATOM 335 CG LYS A 23 76.354 8.455 -5.815 1.00 0.00 C ATOM 336 CD LYS A 23 75.262 9.511 -5.783 1.00 0.00 C ATOM 337 CE LYS A 23 75.758 10.845 -6.323 1.00 0.00 C ATOM 338 NZ LYS A 23 75.375 11.982 -5.440 1.00 0.00 N ATOM 0 H LYS A 23 75.603 7.550 -8.045 1.00 0.00 H new ATOM 0 HA LYS A 23 77.199 5.713 -6.511 1.00 0.00 H new ATOM 0 HB2 LYS A 23 74.699 7.122 -5.550 1.00 0.00 H new ATOM 0 HB3 LYS A 23 76.126 6.684 -4.632 1.00 0.00 H new ATOM 0 HG2 LYS A 23 77.094 8.672 -5.045 1.00 0.00 H new ATOM 0 HG3 LYS A 23 76.871 8.494 -6.774 1.00 0.00 H new ATOM 0 HD2 LYS A 23 74.410 9.173 -6.373 1.00 0.00 H new ATOM 0 HD3 LYS A 23 74.910 9.640 -4.760 1.00 0.00 H new ATOM 0 HE2 LYS A 23 76.843 10.814 -6.424 1.00 0.00 H new ATOM 0 HE3 LYS A 23 75.349 11.007 -7.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 75.564 12.880 -5.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 74.362 11.919 -5.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 75.931 11.942 -4.562 1.00 0.00 H new ATOM 352 N LEU A 24 75.665 3.759 -7.300 1.00 0.00 N ATOM 353 CA LEU A 24 74.893 2.522 -7.339 1.00 0.00 C ATOM 354 C LEU A 24 74.994 1.760 -6.014 1.00 0.00 C ATOM 355 O LEU A 24 76.060 1.699 -5.393 1.00 0.00 O ATOM 356 CB LEU A 24 75.374 1.646 -8.503 1.00 0.00 C ATOM 357 CG LEU A 24 75.481 0.146 -8.207 1.00 0.00 C ATOM 358 CD1 LEU A 24 74.738 -0.660 -9.258 1.00 0.00 C ATOM 359 CD2 LEU A 24 76.939 -0.280 -8.137 1.00 0.00 C ATOM 0 H LEU A 24 76.537 3.723 -7.827 1.00 0.00 H new ATOM 0 HA LEU A 24 73.844 2.776 -7.492 1.00 0.00 H new ATOM 0 HB2 LEU A 24 74.693 1.784 -9.343 1.00 0.00 H new ATOM 0 HB3 LEU A 24 76.352 2.005 -8.823 1.00 0.00 H new ATOM 0 HG LEU A 24 75.020 -0.048 -7.239 1.00 0.00 H new ATOM 0 HD11 LEU A 24 74.825 -1.722 -9.031 1.00 0.00 H new ATOM 0 HD12 LEU A 24 73.686 -0.375 -9.259 1.00 0.00 H new ATOM 0 HD13 LEU A 24 75.169 -0.462 -10.240 1.00 0.00 H new ATOM 0 HD21 LEU A 24 76.996 -1.348 -7.926 1.00 0.00 H new ATOM 0 HD22 LEU A 24 77.425 -0.072 -9.090 1.00 0.00 H new ATOM 0 HD23 LEU A 24 77.442 0.274 -7.344 1.00 0.00 H new ATOM 371 N LYS A 25 73.875 1.179 -5.594 1.00 0.00 N ATOM 372 CA LYS A 25 73.825 0.416 -4.352 1.00 0.00 C ATOM 373 C LYS A 25 73.337 -1.011 -4.609 1.00 0.00 C ATOM 374 O LYS A 25 72.332 -1.224 -5.286 1.00 0.00 O ATOM 375 CB LYS A 25 72.907 1.119 -3.347 1.00 0.00 C ATOM 376 CG LYS A 25 72.941 0.516 -1.950 1.00 0.00 C ATOM 377 CD LYS A 25 71.750 0.967 -1.118 1.00 0.00 C ATOM 378 CE LYS A 25 71.820 2.451 -0.793 1.00 0.00 C ATOM 379 NZ LYS A 25 71.812 2.706 0.674 1.00 0.00 N ATOM 0 H LYS A 25 72.989 1.222 -6.097 1.00 0.00 H new ATOM 0 HA LYS A 25 74.832 0.360 -3.938 1.00 0.00 H new ATOM 0 HB2 LYS A 25 73.190 2.170 -3.285 1.00 0.00 H new ATOM 0 HB3 LYS A 25 71.884 1.086 -3.721 1.00 0.00 H new ATOM 0 HG2 LYS A 25 72.945 -0.572 -2.022 1.00 0.00 H new ATOM 0 HG3 LYS A 25 73.865 0.805 -1.450 1.00 0.00 H new ATOM 0 HD2 LYS A 25 70.828 0.756 -1.659 1.00 0.00 H new ATOM 0 HD3 LYS A 25 71.715 0.393 -0.192 1.00 0.00 H new ATOM 0 HE2 LYS A 25 72.725 2.874 -1.229 1.00 0.00 H new ATOM 0 HE3 LYS A 25 70.975 2.962 -1.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 71.490 3.678 0.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 71.167 2.036 1.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 72.773 2.583 1.053 1.00 0.00 H new ATOM 393 N VAL A 26 74.062 -1.986 -4.073 1.00 0.00 N ATOM 394 CA VAL A 26 73.694 -3.390 -4.241 1.00 0.00 C ATOM 395 C VAL A 26 73.206 -3.978 -2.912 1.00 0.00 C ATOM 396 O VAL A 26 73.855 -3.819 -1.876 1.00 0.00 O ATOM 397 CB VAL A 26 74.881 -4.215 -4.802 1.00 0.00 C ATOM 398 CG1 VAL A 26 74.771 -5.690 -4.435 1.00 0.00 C ATOM 399 CG2 VAL A 26 74.972 -4.053 -6.312 1.00 0.00 C ATOM 0 H VAL A 26 74.905 -1.833 -3.520 1.00 0.00 H new ATOM 0 HA VAL A 26 72.880 -3.443 -4.963 1.00 0.00 H new ATOM 0 HB VAL A 26 75.792 -3.829 -4.345 1.00 0.00 H new ATOM 0 HG11 VAL A 26 75.622 -6.232 -4.847 1.00 0.00 H new ATOM 0 HG12 VAL A 26 74.765 -5.796 -3.350 1.00 0.00 H new ATOM 0 HG13 VAL A 26 73.847 -6.099 -4.845 1.00 0.00 H new ATOM 0 HG21 VAL A 26 75.810 -4.638 -6.691 1.00 0.00 H new ATOM 0 HG22 VAL A 26 74.048 -4.403 -6.772 1.00 0.00 H new ATOM 0 HG23 VAL A 26 75.123 -3.002 -6.557 1.00 0.00 H new ATOM 409 N ILE A 27 72.053 -4.645 -2.950 1.00 0.00 N ATOM 410 CA ILE A 27 71.473 -5.248 -1.749 1.00 0.00 C ATOM 411 C ILE A 27 71.697 -6.764 -1.731 1.00 0.00 C ATOM 412 O ILE A 27 71.256 -7.480 -2.633 1.00 0.00 O ATOM 413 CB ILE A 27 69.955 -4.950 -1.633 1.00 0.00 C ATOM 414 CG1 ILE A 27 69.696 -3.438 -1.543 1.00 0.00 C ATOM 415 CG2 ILE A 27 69.354 -5.659 -0.426 1.00 0.00 C ATOM 416 CD1 ILE A 27 70.468 -2.747 -0.440 1.00 0.00 C ATOM 0 H ILE A 27 71.502 -4.782 -3.798 1.00 0.00 H new ATOM 0 HA ILE A 27 71.981 -4.800 -0.895 1.00 0.00 H new ATOM 0 HB ILE A 27 69.473 -5.329 -2.534 1.00 0.00 H new ATOM 0 HG12 ILE A 27 69.954 -2.978 -2.497 1.00 0.00 H new ATOM 0 HG13 ILE A 27 68.630 -3.271 -1.387 1.00 0.00 H new ATOM 0 HG21 ILE A 27 68.289 -5.435 -0.366 1.00 0.00 H new ATOM 0 HG22 ILE A 27 69.493 -6.735 -0.530 1.00 0.00 H new ATOM 0 HG23 ILE A 27 69.849 -5.315 0.482 1.00 0.00 H new ATOM 0 HD11 ILE A 27 70.231 -1.683 -0.442 1.00 0.00 H new ATOM 0 HD12 ILE A 27 70.193 -3.179 0.522 1.00 0.00 H new ATOM 0 HD13 ILE A 27 71.537 -2.881 -0.605 1.00 0.00 H new ATOM 428 N GLY A 28 72.387 -7.241 -0.697 1.00 0.00 N ATOM 429 CA GLY A 28 72.664 -8.667 -0.572 1.00 0.00 C ATOM 430 C GLY A 28 71.496 -9.458 0.000 1.00 0.00 C ATOM 431 O GLY A 28 70.485 -8.886 0.412 1.00 0.00 O ATOM 0 H GLY A 28 72.760 -6.666 0.058 1.00 0.00 H new ATOM 0 HA2 GLY A 28 72.920 -9.068 -1.553 1.00 0.00 H new ATOM 0 HA3 GLY A 28 73.536 -8.806 0.067 1.00 0.00 H new ATOM 435 N GLN A 29 71.649 -10.781 0.048 1.00 0.00 N ATOM 436 CA GLN A 29 70.600 -11.670 0.563 1.00 0.00 C ATOM 437 C GLN A 29 70.373 -11.474 2.065 1.00 0.00 C ATOM 438 O GLN A 29 69.273 -11.697 2.569 1.00 0.00 O ATOM 439 CB GLN A 29 70.940 -13.146 0.289 1.00 0.00 C ATOM 440 CG GLN A 29 72.161 -13.365 -0.597 1.00 0.00 C ATOM 441 CD GLN A 29 73.462 -13.348 0.184 1.00 0.00 C ATOM 442 OE1 GLN A 29 74.192 -12.360 0.175 1.00 0.00 O ATOM 443 NE2 GLN A 29 73.756 -14.439 0.872 1.00 0.00 N ATOM 0 H GLN A 29 72.491 -11.265 -0.264 1.00 0.00 H new ATOM 0 HA GLN A 29 69.683 -11.407 0.036 1.00 0.00 H new ATOM 0 HB2 GLN A 29 71.104 -13.650 1.242 1.00 0.00 H new ATOM 0 HB3 GLN A 29 70.078 -13.622 -0.179 1.00 0.00 H new ATOM 0 HG2 GLN A 29 72.064 -14.320 -1.113 1.00 0.00 H new ATOM 0 HG3 GLN A 29 72.192 -12.591 -1.364 1.00 0.00 H new ATOM 0 HE21 GLN A 29 73.124 -15.239 0.854 1.00 0.00 H new ATOM 0 HE22 GLN A 29 74.615 -14.480 1.421 1.00 0.00 H new ATOM 452 N ASP A 30 71.417 -11.052 2.778 1.00 0.00 N ATOM 453 CA ASP A 30 71.321 -10.832 4.220 1.00 0.00 C ATOM 454 C ASP A 30 70.958 -9.377 4.547 1.00 0.00 C ATOM 455 O ASP A 30 71.291 -8.878 5.623 1.00 0.00 O ATOM 456 CB ASP A 30 72.646 -11.206 4.891 1.00 0.00 C ATOM 457 CG ASP A 30 72.446 -11.871 6.241 1.00 0.00 C ATOM 458 OD1 ASP A 30 71.381 -12.489 6.447 1.00 0.00 O ATOM 459 OD2 ASP A 30 73.358 -11.776 7.089 1.00 0.00 O ATOM 0 H ASP A 30 72.336 -10.856 2.382 1.00 0.00 H new ATOM 0 HA ASP A 30 70.524 -11.468 4.605 1.00 0.00 H new ATOM 0 HB2 ASP A 30 73.204 -11.877 4.238 1.00 0.00 H new ATOM 0 HB3 ASP A 30 73.252 -10.309 5.018 1.00 0.00 H new ATOM 464 N SER A 31 70.279 -8.708 3.606 1.00 0.00 N ATOM 465 CA SER A 31 69.861 -7.308 3.773 1.00 0.00 C ATOM 466 C SER A 31 71.066 -6.374 3.945 1.00 0.00 C ATOM 467 O SER A 31 70.984 -5.348 4.624 1.00 0.00 O ATOM 468 CB SER A 31 68.902 -7.163 4.963 1.00 0.00 C ATOM 469 OG SER A 31 68.430 -5.831 5.082 1.00 0.00 O ATOM 0 H SER A 31 70.005 -9.118 2.713 1.00 0.00 H new ATOM 0 HA SER A 31 69.338 -7.015 2.863 1.00 0.00 H new ATOM 0 HB2 SER A 31 68.058 -7.841 4.838 1.00 0.00 H new ATOM 0 HB3 SER A 31 69.411 -7.455 5.882 1.00 0.00 H new ATOM 0 HG SER A 31 69.176 -5.207 4.961 1.00 0.00 H new ATOM 475 N SER A 32 72.178 -6.732 3.313 1.00 0.00 N ATOM 476 CA SER A 32 73.401 -5.939 3.392 1.00 0.00 C ATOM 477 C SER A 32 73.470 -4.918 2.259 1.00 0.00 C ATOM 478 O SER A 32 73.331 -5.266 1.087 1.00 0.00 O ATOM 479 CB SER A 32 74.628 -6.854 3.337 1.00 0.00 C ATOM 480 OG SER A 32 74.330 -8.072 2.673 1.00 0.00 O ATOM 0 H SER A 32 72.258 -7.570 2.737 1.00 0.00 H new ATOM 0 HA SER A 32 73.391 -5.401 4.340 1.00 0.00 H new ATOM 0 HB2 SER A 32 75.442 -6.345 2.821 1.00 0.00 H new ATOM 0 HB3 SER A 32 74.974 -7.064 4.349 1.00 0.00 H new ATOM 0 HG SER A 32 75.131 -8.637 2.650 1.00 0.00 H new ATOM 486 N GLU A 33 73.688 -3.657 2.617 1.00 0.00 N ATOM 487 CA GLU A 33 73.781 -2.583 1.630 1.00 0.00 C ATOM 488 C GLU A 33 75.242 -2.243 1.331 1.00 0.00 C ATOM 489 O GLU A 33 75.962 -1.740 2.195 1.00 0.00 O ATOM 490 CB GLU A 33 73.047 -1.330 2.127 1.00 0.00 C ATOM 491 CG GLU A 33 71.722 -1.623 2.824 1.00 0.00 C ATOM 492 CD GLU A 33 70.725 -0.485 2.706 1.00 0.00 C ATOM 493 OE1 GLU A 33 71.107 0.598 2.204 1.00 0.00 O ATOM 494 OE2 GLU A 33 69.558 -0.677 3.106 1.00 0.00 O ATOM 0 H GLU A 33 73.804 -3.352 3.583 1.00 0.00 H new ATOM 0 HA GLU A 33 73.308 -2.930 0.711 1.00 0.00 H new ATOM 0 HB2 GLU A 33 73.697 -0.790 2.816 1.00 0.00 H new ATOM 0 HB3 GLU A 33 72.862 -0.670 1.280 1.00 0.00 H new ATOM 0 HG2 GLU A 33 71.286 -2.526 2.398 1.00 0.00 H new ATOM 0 HG3 GLU A 33 71.910 -1.826 3.878 1.00 0.00 H new ATOM 501 N ILE A 34 75.681 -2.528 0.107 1.00 0.00 N ATOM 502 CA ILE A 34 77.061 -2.250 -0.290 1.00 0.00 C ATOM 503 C ILE A 34 77.116 -1.249 -1.450 1.00 0.00 C ATOM 504 O ILE A 34 76.406 -1.397 -2.450 1.00 0.00 O ATOM 505 CB ILE A 34 77.811 -3.544 -0.691 1.00 0.00 C ATOM 506 CG1 ILE A 34 77.560 -4.651 0.338 1.00 0.00 C ATOM 507 CG2 ILE A 34 79.304 -3.278 -0.827 1.00 0.00 C ATOM 508 CD1 ILE A 34 77.403 -6.027 -0.276 1.00 0.00 C ATOM 0 H ILE A 34 75.106 -2.948 -0.623 1.00 0.00 H new ATOM 0 HA ILE A 34 77.555 -1.815 0.579 1.00 0.00 H new ATOM 0 HB ILE A 34 77.429 -3.875 -1.657 1.00 0.00 H new ATOM 0 HG12 ILE A 34 78.388 -4.671 1.047 1.00 0.00 H new ATOM 0 HG13 ILE A 34 76.661 -4.411 0.905 1.00 0.00 H new ATOM 0 HG21 ILE A 34 79.813 -4.199 -1.109 1.00 0.00 H new ATOM 0 HG22 ILE A 34 79.470 -2.522 -1.594 1.00 0.00 H new ATOM 0 HG23 ILE A 34 79.698 -2.922 0.125 1.00 0.00 H new ATOM 0 HD11 ILE A 34 77.228 -6.759 0.512 1.00 0.00 H new ATOM 0 HD12 ILE A 34 76.557 -6.024 -0.963 1.00 0.00 H new ATOM 0 HD13 ILE A 34 78.311 -6.289 -0.819 1.00 0.00 H new ATOM 520 N HIS A 35 77.957 -0.227 -1.306 1.00 0.00 N ATOM 521 CA HIS A 35 78.110 0.802 -2.333 1.00 0.00 C ATOM 522 C HIS A 35 79.383 0.582 -3.152 1.00 0.00 C ATOM 523 O HIS A 35 80.429 0.232 -2.608 1.00 0.00 O ATOM 524 CB HIS A 35 78.145 2.192 -1.694 1.00 0.00 C ATOM 525 CG HIS A 35 76.874 2.965 -1.863 1.00 0.00 C ATOM 526 ND1 HIS A 35 76.675 3.877 -2.875 1.00 0.00 N ATOM 527 CD2 HIS A 35 75.731 2.959 -1.137 1.00 0.00 C ATOM 528 CE1 HIS A 35 75.468 4.402 -2.765 1.00 0.00 C ATOM 529 NE2 HIS A 35 74.873 3.861 -1.719 1.00 0.00 N ATOM 0 H HIS A 35 78.545 -0.089 -0.484 1.00 0.00 H new ATOM 0 HA HIS A 35 77.252 0.733 -3.002 1.00 0.00 H new ATOM 0 HB2 HIS A 35 78.357 2.088 -0.630 1.00 0.00 H new ATOM 0 HB3 HIS A 35 78.967 2.761 -2.129 1.00 0.00 H new ATOM 0 HD1 HIS A 35 77.355 4.111 -3.598 1.00 0.00 H new ATOM 0 HD2 HIS A 35 75.531 2.357 -0.263 1.00 0.00 H new ATOM 0 HE1 HIS A 35 75.041 5.147 -3.420 1.00 0.00 H new ATOM 537 N PHE A 36 79.286 0.792 -4.463 1.00 0.00 N ATOM 538 CA PHE A 36 80.437 0.614 -5.347 1.00 0.00 C ATOM 539 C PHE A 36 80.747 1.888 -6.135 1.00 0.00 C ATOM 540 O PHE A 36 81.906 2.302 -6.217 1.00 0.00 O ATOM 541 CB PHE A 36 80.196 -0.553 -6.308 1.00 0.00 C ATOM 542 CG PHE A 36 81.159 -1.687 -6.116 1.00 0.00 C ATOM 543 CD1 PHE A 36 80.811 -2.787 -5.348 1.00 0.00 C ATOM 544 CD2 PHE A 36 82.414 -1.651 -6.700 1.00 0.00 C ATOM 545 CE1 PHE A 36 81.699 -3.830 -5.166 1.00 0.00 C ATOM 546 CE2 PHE A 36 83.306 -2.691 -6.523 1.00 0.00 C ATOM 547 CZ PHE A 36 82.947 -3.783 -5.754 1.00 0.00 C ATOM 0 H PHE A 36 78.430 1.083 -4.934 1.00 0.00 H new ATOM 0 HA PHE A 36 81.300 0.390 -4.721 1.00 0.00 H new ATOM 0 HB2 PHE A 36 79.179 -0.922 -6.173 1.00 0.00 H new ATOM 0 HB3 PHE A 36 80.271 -0.192 -7.334 1.00 0.00 H new ATOM 0 HD1 PHE A 36 79.835 -2.829 -4.887 1.00 0.00 H new ATOM 0 HD2 PHE A 36 82.699 -0.800 -7.301 1.00 0.00 H new ATOM 0 HE1 PHE A 36 81.417 -4.681 -4.564 1.00 0.00 H new ATOM 0 HE2 PHE A 36 84.282 -2.651 -6.984 1.00 0.00 H new ATOM 0 HZ PHE A 36 83.642 -4.598 -5.614 1.00 0.00 H new ATOM 557 N LYS A 37 79.700 2.502 -6.705 1.00 0.00 N ATOM 558 CA LYS A 37 79.824 3.737 -7.498 1.00 0.00 C ATOM 559 C LYS A 37 80.519 3.483 -8.841 1.00 0.00 C ATOM 560 O LYS A 37 81.734 3.638 -8.971 1.00 0.00 O ATOM 561 CB LYS A 37 80.564 4.832 -6.716 1.00 0.00 C ATOM 562 CG LYS A 37 79.808 5.335 -5.498 1.00 0.00 C ATOM 563 CD LYS A 37 80.757 5.737 -4.379 1.00 0.00 C ATOM 564 CE LYS A 37 81.176 4.537 -3.539 1.00 0.00 C ATOM 565 NZ LYS A 37 82.453 3.938 -4.019 1.00 0.00 N ATOM 0 H LYS A 37 78.743 2.158 -6.630 1.00 0.00 H new ATOM 0 HA LYS A 37 78.811 4.084 -7.702 1.00 0.00 H new ATOM 0 HB2 LYS A 37 81.532 4.446 -6.397 1.00 0.00 H new ATOM 0 HB3 LYS A 37 80.760 5.672 -7.383 1.00 0.00 H new ATOM 0 HG2 LYS A 37 79.192 6.189 -5.778 1.00 0.00 H new ATOM 0 HG3 LYS A 37 79.132 4.558 -5.142 1.00 0.00 H new ATOM 0 HD2 LYS A 37 81.642 6.210 -4.804 1.00 0.00 H new ATOM 0 HD3 LYS A 37 80.275 6.478 -3.741 1.00 0.00 H new ATOM 0 HE2 LYS A 37 81.288 4.844 -2.499 1.00 0.00 H new ATOM 0 HE3 LYS A 37 80.389 3.783 -3.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 82.885 3.382 -3.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 82.262 3.318 -4.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 83.105 4.695 -4.307 1.00 0.00 H new ATOM 579 N VAL A 38 79.729 3.106 -9.842 1.00 0.00 N ATOM 580 CA VAL A 38 80.248 2.825 -11.183 1.00 0.00 C ATOM 581 C VAL A 38 79.442 3.568 -12.250 1.00 0.00 C ATOM 582 O VAL A 38 78.491 4.287 -11.938 1.00 0.00 O ATOM 583 CB VAL A 38 80.219 1.313 -11.501 1.00 0.00 C ATOM 584 CG1 VAL A 38 81.347 0.589 -10.781 1.00 0.00 C ATOM 585 CG2 VAL A 38 78.871 0.710 -11.138 1.00 0.00 C ATOM 0 H VAL A 38 78.720 2.987 -9.752 1.00 0.00 H new ATOM 0 HA VAL A 38 81.282 3.171 -11.197 1.00 0.00 H new ATOM 0 HB VAL A 38 80.367 1.189 -12.574 1.00 0.00 H new ATOM 0 HG11 VAL A 38 81.308 -0.474 -11.019 1.00 0.00 H new ATOM 0 HG12 VAL A 38 82.305 0.998 -11.102 1.00 0.00 H new ATOM 0 HG13 VAL A 38 81.238 0.724 -9.705 1.00 0.00 H new ATOM 0 HG21 VAL A 38 78.874 -0.355 -11.371 1.00 0.00 H new ATOM 0 HG22 VAL A 38 78.686 0.848 -10.073 1.00 0.00 H new ATOM 0 HG23 VAL A 38 78.086 1.204 -11.710 1.00 0.00 H new ATOM 595 N LYS A 39 79.828 3.399 -13.508 1.00 0.00 N ATOM 596 CA LYS A 39 79.124 4.045 -14.612 1.00 0.00 C ATOM 597 C LYS A 39 77.925 3.205 -15.048 1.00 0.00 C ATOM 598 O LYS A 39 77.985 1.978 -15.048 1.00 0.00 O ATOM 599 CB LYS A 39 80.071 4.262 -15.795 1.00 0.00 C ATOM 600 CG LYS A 39 80.599 5.684 -15.899 1.00 0.00 C ATOM 601 CD LYS A 39 82.024 5.714 -16.431 1.00 0.00 C ATOM 602 CE LYS A 39 83.043 5.597 -15.309 1.00 0.00 C ATOM 603 NZ LYS A 39 83.609 6.922 -14.933 1.00 0.00 N ATOM 0 H LYS A 39 80.621 2.823 -13.790 1.00 0.00 H new ATOM 0 HA LYS A 39 78.764 5.015 -14.268 1.00 0.00 H new ATOM 0 HB2 LYS A 39 80.913 3.576 -15.706 1.00 0.00 H new ATOM 0 HB3 LYS A 39 79.550 4.008 -16.718 1.00 0.00 H new ATOM 0 HG2 LYS A 39 79.952 6.266 -16.556 1.00 0.00 H new ATOM 0 HG3 LYS A 39 80.566 6.158 -14.918 1.00 0.00 H new ATOM 0 HD2 LYS A 39 82.166 4.897 -17.139 1.00 0.00 H new ATOM 0 HD3 LYS A 39 82.189 6.642 -16.978 1.00 0.00 H new ATOM 0 HE2 LYS A 39 82.572 5.143 -14.437 1.00 0.00 H new ATOM 0 HE3 LYS A 39 83.849 4.932 -15.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 84.426 6.785 -14.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 83.914 7.425 -15.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 82.884 7.483 -14.442 1.00 0.00 H new ATOM 617 N MET A 40 76.836 3.867 -15.419 1.00 0.00 N ATOM 618 CA MET A 40 75.626 3.166 -15.848 1.00 0.00 C ATOM 619 C MET A 40 75.727 2.708 -17.310 1.00 0.00 C ATOM 620 O MET A 40 74.987 1.824 -17.743 1.00 0.00 O ATOM 621 CB MET A 40 74.399 4.061 -15.667 1.00 0.00 C ATOM 622 CG MET A 40 73.548 3.686 -14.463 1.00 0.00 C ATOM 623 SD MET A 40 72.106 4.757 -14.255 1.00 0.00 S ATOM 624 CE MET A 40 71.265 4.566 -15.829 1.00 0.00 C ATOM 0 H MET A 40 76.763 4.884 -15.433 1.00 0.00 H new ATOM 0 HA MET A 40 75.521 2.280 -15.223 1.00 0.00 H new ATOM 0 HB2 MET A 40 74.726 5.096 -15.563 1.00 0.00 H new ATOM 0 HB3 MET A 40 73.785 4.009 -16.566 1.00 0.00 H new ATOM 0 HG2 MET A 40 73.215 2.654 -14.568 1.00 0.00 H new ATOM 0 HG3 MET A 40 74.161 3.733 -13.563 1.00 0.00 H new ATOM 0 HE1 MET A 40 70.259 4.979 -15.756 1.00 0.00 H new ATOM 0 HE2 MET A 40 71.819 5.095 -16.604 1.00 0.00 H new ATOM 0 HE3 MET A 40 71.206 3.508 -16.084 1.00 0.00 H new ATOM 634 N THR A 41 76.647 3.307 -18.070 1.00 0.00 N ATOM 635 CA THR A 41 76.834 2.955 -19.478 1.00 0.00 C ATOM 636 C THR A 41 77.864 1.834 -19.650 1.00 0.00 C ATOM 637 O THR A 41 78.724 1.889 -20.533 1.00 0.00 O ATOM 638 CB THR A 41 77.281 4.182 -20.305 1.00 0.00 C ATOM 639 OG1 THR A 41 78.679 4.431 -20.105 1.00 0.00 O ATOM 640 CG2 THR A 41 76.489 5.414 -19.908 1.00 0.00 C ATOM 0 H THR A 41 77.274 4.038 -17.733 1.00 0.00 H new ATOM 0 HA THR A 41 75.868 2.605 -19.843 1.00 0.00 H new ATOM 0 HB THR A 41 77.097 3.966 -21.357 1.00 0.00 H new ATOM 0 HG1 THR A 41 79.201 3.697 -20.492 1.00 0.00 H new ATOM 0 HG21 THR A 41 76.819 6.266 -20.502 1.00 0.00 H new ATOM 0 HG22 THR A 41 75.428 5.237 -20.086 1.00 0.00 H new ATOM 0 HG23 THR A 41 76.650 5.625 -18.851 1.00 0.00 H new ATOM 648 N THR A 42 77.771 0.809 -18.809 1.00 0.00 N ATOM 649 CA THR A 42 78.705 -0.311 -18.869 1.00 0.00 C ATOM 650 C THR A 42 77.986 -1.655 -18.736 1.00 0.00 C ATOM 651 O THR A 42 76.853 -1.718 -18.257 1.00 0.00 O ATOM 652 CB THR A 42 79.803 -0.181 -17.788 1.00 0.00 C ATOM 653 OG1 THR A 42 80.920 -1.013 -18.126 1.00 0.00 O ATOM 654 CG2 THR A 42 79.286 -0.559 -16.403 1.00 0.00 C ATOM 0 H THR A 42 77.062 0.730 -18.080 1.00 0.00 H new ATOM 0 HA THR A 42 79.179 -0.279 -19.850 1.00 0.00 H new ATOM 0 HB THR A 42 80.112 0.864 -17.757 1.00 0.00 H new ATOM 0 HG1 THR A 42 81.716 -0.703 -17.646 1.00 0.00 H new ATOM 0 HG21 THR A 42 80.089 -0.454 -15.674 1.00 0.00 H new ATOM 0 HG22 THR A 42 78.460 0.098 -16.131 1.00 0.00 H new ATOM 0 HG23 THR A 42 78.939 -1.592 -16.414 1.00 0.00 H new ATOM 662 N HIS A 43 78.645 -2.722 -19.180 1.00 0.00 N ATOM 663 CA HIS A 43 78.069 -4.066 -19.118 1.00 0.00 C ATOM 664 C HIS A 43 78.083 -4.617 -17.691 1.00 0.00 C ATOM 665 O HIS A 43 78.936 -4.246 -16.880 1.00 0.00 O ATOM 666 CB HIS A 43 78.831 -5.011 -20.048 1.00 0.00 C ATOM 667 CG HIS A 43 78.253 -5.102 -21.428 1.00 0.00 C ATOM 668 ND1 HIS A 43 78.972 -5.536 -22.519 1.00 0.00 N ATOM 669 CD2 HIS A 43 77.012 -4.816 -21.892 1.00 0.00 C ATOM 670 CE1 HIS A 43 78.205 -5.514 -23.593 1.00 0.00 C ATOM 671 NE2 HIS A 43 77.008 -5.082 -23.240 1.00 0.00 N ATOM 0 H HIS A 43 79.579 -2.684 -19.587 1.00 0.00 H new ATOM 0 HA HIS A 43 77.031 -3.997 -19.443 1.00 0.00 H new ATOM 0 HB2 HIS A 43 79.866 -4.678 -20.120 1.00 0.00 H new ATOM 0 HB3 HIS A 43 78.847 -6.007 -19.605 1.00 0.00 H new ATOM 0 HD2 HIS A 43 76.180 -4.447 -21.310 1.00 0.00 H new ATOM 0 HE1 HIS A 43 78.505 -5.800 -24.590 1.00 0.00 H new ATOM 0 HE2 HIS A 43 76.211 -4.965 -23.866 1.00 0.00 H new ATOM 679 N LEU A 44 77.152 -5.524 -17.393 1.00 0.00 N ATOM 680 CA LEU A 44 77.055 -6.113 -16.056 1.00 0.00 C ATOM 681 C LEU A 44 78.264 -6.992 -15.696 1.00 0.00 C ATOM 682 O LEU A 44 78.463 -7.309 -14.526 1.00 0.00 O ATOM 683 CB LEU A 44 75.761 -6.919 -15.927 1.00 0.00 C ATOM 684 CG LEU A 44 74.657 -6.255 -15.093 1.00 0.00 C ATOM 685 CD1 LEU A 44 75.120 -6.042 -13.659 1.00 0.00 C ATOM 686 CD2 LEU A 44 74.229 -4.935 -15.716 1.00 0.00 C ATOM 0 H LEU A 44 76.457 -5.866 -18.056 1.00 0.00 H new ATOM 0 HA LEU A 44 77.047 -5.284 -15.348 1.00 0.00 H new ATOM 0 HB2 LEU A 44 75.372 -7.113 -16.926 1.00 0.00 H new ATOM 0 HB3 LEU A 44 75.997 -7.886 -15.483 1.00 0.00 H new ATOM 0 HG LEU A 44 73.795 -6.923 -15.081 1.00 0.00 H new ATOM 0 HD11 LEU A 44 74.322 -5.570 -13.085 1.00 0.00 H new ATOM 0 HD12 LEU A 44 75.369 -7.004 -13.211 1.00 0.00 H new ATOM 0 HD13 LEU A 44 76.000 -5.399 -13.653 1.00 0.00 H new ATOM 0 HD21 LEU A 44 73.446 -4.483 -15.108 1.00 0.00 H new ATOM 0 HD22 LEU A 44 75.085 -4.262 -15.765 1.00 0.00 H new ATOM 0 HD23 LEU A 44 73.849 -5.114 -16.722 1.00 0.00 H new ATOM 698 N LYS A 45 79.074 -7.381 -16.690 1.00 0.00 N ATOM 699 CA LYS A 45 80.254 -8.217 -16.444 1.00 0.00 C ATOM 700 C LYS A 45 81.250 -7.538 -15.491 1.00 0.00 C ATOM 701 O LYS A 45 82.009 -8.210 -14.794 1.00 0.00 O ATOM 702 CB LYS A 45 80.941 -8.572 -17.775 1.00 0.00 C ATOM 703 CG LYS A 45 81.922 -7.523 -18.281 1.00 0.00 C ATOM 704 CD LYS A 45 83.337 -8.077 -18.378 1.00 0.00 C ATOM 705 CE LYS A 45 83.595 -8.713 -19.734 1.00 0.00 C ATOM 706 NZ LYS A 45 84.761 -9.639 -19.701 1.00 0.00 N ATOM 0 H LYS A 45 78.933 -7.130 -17.669 1.00 0.00 H new ATOM 0 HA LYS A 45 79.914 -9.133 -15.961 1.00 0.00 H new ATOM 0 HB2 LYS A 45 81.470 -9.517 -17.655 1.00 0.00 H new ATOM 0 HB3 LYS A 45 80.175 -8.730 -18.534 1.00 0.00 H new ATOM 0 HG2 LYS A 45 81.602 -7.168 -19.261 1.00 0.00 H new ATOM 0 HG3 LYS A 45 81.913 -6.663 -17.611 1.00 0.00 H new ATOM 0 HD2 LYS A 45 84.055 -7.275 -18.209 1.00 0.00 H new ATOM 0 HD3 LYS A 45 83.494 -8.816 -17.593 1.00 0.00 H new ATOM 0 HE2 LYS A 45 82.707 -9.259 -20.054 1.00 0.00 H new ATOM 0 HE3 LYS A 45 83.773 -7.932 -20.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 84.903 -10.052 -20.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 85.614 -9.114 -19.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 84.581 -10.399 -19.014 1.00 0.00 H new ATOM 720 N LYS A 46 81.234 -6.207 -15.461 1.00 0.00 N ATOM 721 CA LYS A 46 82.131 -5.450 -14.589 1.00 0.00 C ATOM 722 C LYS A 46 81.495 -5.195 -13.222 1.00 0.00 C ATOM 723 O LYS A 46 82.193 -5.055 -12.220 1.00 0.00 O ATOM 724 CB LYS A 46 82.503 -4.118 -15.247 1.00 0.00 C ATOM 725 CG LYS A 46 83.693 -4.215 -16.189 1.00 0.00 C ATOM 726 CD LYS A 46 83.751 -3.028 -17.139 1.00 0.00 C ATOM 727 CE LYS A 46 84.702 -1.954 -16.632 1.00 0.00 C ATOM 728 NZ LYS A 46 86.087 -2.149 -17.146 1.00 0.00 N ATOM 0 H LYS A 46 80.612 -5.631 -16.028 1.00 0.00 H new ATOM 0 HA LYS A 46 83.032 -6.044 -14.438 1.00 0.00 H new ATOM 0 HB2 LYS A 46 81.642 -3.743 -15.800 1.00 0.00 H new ATOM 0 HB3 LYS A 46 82.725 -3.388 -14.469 1.00 0.00 H new ATOM 0 HG2 LYS A 46 84.615 -4.263 -15.609 1.00 0.00 H new ATOM 0 HG3 LYS A 46 83.629 -5.139 -16.763 1.00 0.00 H new ATOM 0 HD2 LYS A 46 84.073 -3.365 -18.124 1.00 0.00 H new ATOM 0 HD3 LYS A 46 82.753 -2.606 -17.257 1.00 0.00 H new ATOM 0 HE2 LYS A 46 84.337 -0.973 -16.936 1.00 0.00 H new ATOM 0 HE3 LYS A 46 84.714 -1.966 -15.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 86.703 -1.397 -16.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 86.446 -3.074 -16.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 86.080 -2.112 -18.185 1.00 0.00 H new ATOM 742 N LEU A 47 80.166 -5.134 -13.191 1.00 0.00 N ATOM 743 CA LEU A 47 79.427 -4.888 -11.950 1.00 0.00 C ATOM 744 C LEU A 47 79.208 -6.176 -11.148 1.00 0.00 C ATOM 745 O LEU A 47 79.550 -6.248 -9.965 1.00 0.00 O ATOM 746 CB LEU A 47 78.076 -4.248 -12.274 1.00 0.00 C ATOM 747 CG LEU A 47 77.695 -3.048 -11.406 1.00 0.00 C ATOM 748 CD1 LEU A 47 76.693 -2.165 -12.133 1.00 0.00 C ATOM 749 CD2 LEU A 47 77.127 -3.513 -10.073 1.00 0.00 C ATOM 0 H LEU A 47 79.574 -5.252 -14.014 1.00 0.00 H new ATOM 0 HA LEU A 47 80.024 -4.213 -11.337 1.00 0.00 H new ATOM 0 HB2 LEU A 47 78.083 -3.933 -13.317 1.00 0.00 H new ATOM 0 HB3 LEU A 47 77.300 -5.007 -12.176 1.00 0.00 H new ATOM 0 HG LEU A 47 78.594 -2.463 -11.211 1.00 0.00 H new ATOM 0 HD11 LEU A 47 76.432 -1.315 -11.502 1.00 0.00 H new ATOM 0 HD12 LEU A 47 77.133 -1.805 -13.063 1.00 0.00 H new ATOM 0 HD13 LEU A 47 75.795 -2.741 -12.356 1.00 0.00 H new ATOM 0 HD21 LEU A 47 76.861 -2.646 -9.468 1.00 0.00 H new ATOM 0 HD22 LEU A 47 76.238 -4.119 -10.248 1.00 0.00 H new ATOM 0 HD23 LEU A 47 77.874 -4.107 -9.547 1.00 0.00 H new ATOM 761 N LYS A 48 78.639 -7.186 -11.805 1.00 0.00 N ATOM 762 CA LYS A 48 78.342 -8.476 -11.175 1.00 0.00 C ATOM 763 C LYS A 48 79.595 -9.127 -10.580 1.00 0.00 C ATOM 764 O LYS A 48 79.591 -9.558 -9.427 1.00 0.00 O ATOM 765 CB LYS A 48 77.710 -9.416 -12.207 1.00 0.00 C ATOM 766 CG LYS A 48 76.599 -10.296 -11.656 1.00 0.00 C ATOM 767 CD LYS A 48 75.416 -10.371 -12.615 1.00 0.00 C ATOM 768 CE LYS A 48 75.843 -10.806 -14.010 1.00 0.00 C ATOM 769 NZ LYS A 48 75.167 -12.064 -14.438 1.00 0.00 N ATOM 0 H LYS A 48 78.370 -7.135 -12.788 1.00 0.00 H new ATOM 0 HA LYS A 48 77.646 -8.295 -10.356 1.00 0.00 H new ATOM 0 HB2 LYS A 48 77.312 -8.820 -13.028 1.00 0.00 H new ATOM 0 HB3 LYS A 48 78.489 -10.054 -12.625 1.00 0.00 H new ATOM 0 HG2 LYS A 48 76.985 -11.299 -11.474 1.00 0.00 H new ATOM 0 HG3 LYS A 48 76.265 -9.903 -10.695 1.00 0.00 H new ATOM 0 HD2 LYS A 48 74.677 -11.072 -12.226 1.00 0.00 H new ATOM 0 HD3 LYS A 48 74.932 -9.396 -12.671 1.00 0.00 H new ATOM 0 HE2 LYS A 48 75.615 -10.013 -14.722 1.00 0.00 H new ATOM 0 HE3 LYS A 48 76.923 -10.951 -14.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 75.661 -12.460 -15.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 75.189 -12.752 -13.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 74.179 -11.859 -14.691 1.00 0.00 H new ATOM 783 N GLU A 49 80.666 -9.181 -11.366 1.00 0.00 N ATOM 784 CA GLU A 49 81.921 -9.789 -10.921 1.00 0.00 C ATOM 785 C GLU A 49 82.588 -8.992 -9.794 1.00 0.00 C ATOM 786 O GLU A 49 83.235 -9.568 -8.923 1.00 0.00 O ATOM 787 CB GLU A 49 82.888 -9.927 -12.099 1.00 0.00 C ATOM 788 CG GLU A 49 83.665 -11.235 -12.101 1.00 0.00 C ATOM 789 CD GLU A 49 84.935 -11.163 -12.925 1.00 0.00 C ATOM 790 OE1 GLU A 49 85.728 -10.217 -12.719 1.00 0.00 O ATOM 791 OE2 GLU A 49 85.141 -12.051 -13.780 1.00 0.00 O ATOM 0 H GLU A 49 80.692 -8.811 -12.316 1.00 0.00 H new ATOM 0 HA GLU A 49 81.676 -10.775 -10.526 1.00 0.00 H new ATOM 0 HB2 GLU A 49 82.327 -9.846 -13.030 1.00 0.00 H new ATOM 0 HB3 GLU A 49 83.593 -9.096 -12.079 1.00 0.00 H new ATOM 0 HG2 GLU A 49 83.918 -11.504 -11.075 1.00 0.00 H new ATOM 0 HG3 GLU A 49 83.029 -12.030 -12.491 1.00 0.00 H new ATOM 798 N SER A 50 82.412 -7.670 -9.801 1.00 0.00 N ATOM 799 CA SER A 50 83.022 -6.808 -8.780 1.00 0.00 C ATOM 800 C SER A 50 82.471 -7.114 -7.391 1.00 0.00 C ATOM 801 O SER A 50 83.228 -7.267 -6.432 1.00 0.00 O ATOM 802 CB SER A 50 82.789 -5.332 -9.108 1.00 0.00 C ATOM 803 OG SER A 50 83.685 -4.882 -10.108 1.00 0.00 O ATOM 0 H SER A 50 81.856 -7.172 -10.496 1.00 0.00 H new ATOM 0 HA SER A 50 84.093 -7.012 -8.781 1.00 0.00 H new ATOM 0 HB2 SER A 50 81.762 -5.189 -9.445 1.00 0.00 H new ATOM 0 HB3 SER A 50 82.915 -4.732 -8.207 1.00 0.00 H new ATOM 0 HG SER A 50 83.189 -4.701 -10.934 1.00 0.00 H new ATOM 809 N TYR A 51 81.148 -7.199 -7.289 1.00 0.00 N ATOM 810 CA TYR A 51 80.489 -7.500 -6.011 1.00 0.00 C ATOM 811 C TYR A 51 80.930 -8.869 -5.457 1.00 0.00 C ATOM 812 O TYR A 51 81.124 -9.022 -4.249 1.00 0.00 O ATOM 813 CB TYR A 51 78.953 -7.437 -6.160 1.00 0.00 C ATOM 814 CG TYR A 51 78.206 -8.449 -5.322 1.00 0.00 C ATOM 815 CD1 TYR A 51 78.009 -8.250 -3.961 1.00 0.00 C ATOM 816 CD2 TYR A 51 77.705 -9.611 -5.893 1.00 0.00 C ATOM 817 CE1 TYR A 51 77.334 -9.179 -3.195 1.00 0.00 C ATOM 818 CE2 TYR A 51 77.027 -10.545 -5.135 1.00 0.00 C ATOM 819 CZ TYR A 51 76.844 -10.323 -3.786 1.00 0.00 C ATOM 820 OH TYR A 51 76.170 -11.250 -3.024 1.00 0.00 O ATOM 0 H TYR A 51 80.507 -7.065 -8.071 1.00 0.00 H new ATOM 0 HA TYR A 51 80.796 -6.740 -5.293 1.00 0.00 H new ATOM 0 HB2 TYR A 51 78.614 -6.437 -5.889 1.00 0.00 H new ATOM 0 HB3 TYR A 51 78.695 -7.588 -7.208 1.00 0.00 H new ATOM 0 HD1 TYR A 51 78.390 -7.354 -3.495 1.00 0.00 H new ATOM 0 HD2 TYR A 51 77.848 -9.788 -6.949 1.00 0.00 H new ATOM 0 HE1 TYR A 51 77.191 -9.010 -2.138 1.00 0.00 H new ATOM 0 HE2 TYR A 51 76.643 -11.443 -5.595 1.00 0.00 H new ATOM 0 HH TYR A 51 75.303 -10.883 -2.753 1.00 0.00 H new ATOM 830 N CYS A 52 81.115 -9.852 -6.341 1.00 0.00 N ATOM 831 CA CYS A 52 81.526 -11.196 -5.915 1.00 0.00 C ATOM 832 C CYS A 52 83.001 -11.203 -5.540 1.00 0.00 C ATOM 833 O CYS A 52 83.427 -11.921 -4.634 1.00 0.00 O ATOM 834 CB CYS A 52 81.268 -12.230 -7.022 1.00 0.00 C ATOM 835 SG CYS A 52 79.590 -12.195 -7.695 1.00 0.00 S ATOM 0 H CYS A 52 80.989 -9.747 -7.348 1.00 0.00 H new ATOM 0 HA CYS A 52 80.931 -11.467 -5.043 1.00 0.00 H new ATOM 0 HB2 CYS A 52 81.976 -12.061 -7.833 1.00 0.00 H new ATOM 0 HB3 CYS A 52 81.468 -13.226 -6.627 1.00 0.00 H new ATOM 0 HG CYS A 52 79.444 -11.141 -8.442 1.00 0.00 H new ATOM 841 N GLN A 53 83.770 -10.381 -6.244 1.00 0.00 N ATOM 842 CA GLN A 53 85.202 -10.253 -6.014 1.00 0.00 C ATOM 843 C GLN A 53 85.500 -9.586 -4.672 1.00 0.00 C ATOM 844 O GLN A 53 86.406 -10.001 -3.952 1.00 0.00 O ATOM 845 CB GLN A 53 85.823 -9.435 -7.144 1.00 0.00 C ATOM 846 CG GLN A 53 86.738 -10.232 -8.050 1.00 0.00 C ATOM 847 CD GLN A 53 86.225 -11.628 -8.355 1.00 0.00 C ATOM 848 OE1 GLN A 53 85.429 -11.827 -9.269 1.00 0.00 O ATOM 849 NE2 GLN A 53 86.687 -12.611 -7.597 1.00 0.00 N ATOM 0 H GLN A 53 83.417 -9.784 -6.992 1.00 0.00 H new ATOM 0 HA GLN A 53 85.634 -11.254 -5.992 1.00 0.00 H new ATOM 0 HB2 GLN A 53 85.025 -8.999 -7.744 1.00 0.00 H new ATOM 0 HB3 GLN A 53 86.386 -8.608 -6.713 1.00 0.00 H new ATOM 0 HG2 GLN A 53 86.871 -9.690 -8.986 1.00 0.00 H new ATOM 0 HG3 GLN A 53 87.720 -10.309 -7.584 1.00 0.00 H new ATOM 0 HE21 GLN A 53 87.347 -12.409 -6.846 1.00 0.00 H new ATOM 0 HE22 GLN A 53 86.382 -13.570 -7.764 1.00 0.00 H new ATOM 858 N ARG A 54 84.731 -8.549 -4.347 1.00 0.00 N ATOM 859 CA ARG A 54 84.910 -7.820 -3.092 1.00 0.00 C ATOM 860 C ARG A 54 84.512 -8.674 -1.884 1.00 0.00 C ATOM 861 O ARG A 54 85.204 -8.685 -0.867 1.00 0.00 O ATOM 862 CB ARG A 54 84.089 -6.527 -3.114 1.00 0.00 C ATOM 863 CG ARG A 54 84.442 -5.554 -2.000 1.00 0.00 C ATOM 864 CD ARG A 54 85.042 -4.270 -2.551 1.00 0.00 C ATOM 865 NE ARG A 54 85.833 -3.562 -1.546 1.00 0.00 N ATOM 866 CZ ARG A 54 85.870 -2.244 -1.425 1.00 0.00 C ATOM 867 NH1 ARG A 54 85.177 -1.481 -2.234 1.00 0.00 N ATOM 868 NH2 ARG A 54 86.605 -1.689 -0.494 1.00 0.00 N ATOM 0 H ARG A 54 83.977 -8.194 -4.935 1.00 0.00 H new ATOM 0 HA ARG A 54 85.968 -7.576 -2.995 1.00 0.00 H new ATOM 0 HB2 ARG A 54 84.234 -6.032 -4.074 1.00 0.00 H new ATOM 0 HB3 ARG A 54 83.031 -6.779 -3.042 1.00 0.00 H new ATOM 0 HG2 ARG A 54 83.548 -5.320 -1.423 1.00 0.00 H new ATOM 0 HG3 ARG A 54 85.149 -6.023 -1.316 1.00 0.00 H new ATOM 0 HD2 ARG A 54 85.671 -4.503 -3.410 1.00 0.00 H new ATOM 0 HD3 ARG A 54 84.243 -3.620 -2.908 1.00 0.00 H new ATOM 0 HE ARG A 54 86.391 -4.118 -0.898 1.00 0.00 H new ATOM 0 HH11 ARG A 54 84.603 -1.901 -2.965 1.00 0.00 H new ATOM 0 HH12 ARG A 54 85.212 -0.467 -2.133 1.00 0.00 H new ATOM 0 HH21 ARG A 54 87.151 -2.272 0.140 1.00 0.00 H new ATOM 0 HH22 ARG A 54 86.632 -0.673 -0.403 1.00 0.00 H new ATOM 882 N GLN A 55 83.389 -9.381 -2.000 1.00 0.00 N ATOM 883 CA GLN A 55 82.907 -10.240 -0.906 1.00 0.00 C ATOM 884 C GLN A 55 83.742 -11.524 -0.782 1.00 0.00 C ATOM 885 O GLN A 55 84.033 -11.974 0.328 1.00 0.00 O ATOM 886 CB GLN A 55 81.417 -10.592 -1.080 1.00 0.00 C ATOM 887 CG GLN A 55 80.837 -11.410 0.068 1.00 0.00 C ATOM 888 CD GLN A 55 80.942 -10.713 1.414 1.00 0.00 C ATOM 889 OE1 GLN A 55 80.040 -9.985 1.825 1.00 0.00 O ATOM 890 NE2 GLN A 55 82.045 -10.930 2.109 1.00 0.00 N ATOM 0 H GLN A 55 82.797 -9.380 -2.830 1.00 0.00 H new ATOM 0 HA GLN A 55 83.021 -9.669 0.015 1.00 0.00 H new ATOM 0 HB2 GLN A 55 80.845 -9.669 -1.181 1.00 0.00 H new ATOM 0 HB3 GLN A 55 81.291 -11.148 -2.009 1.00 0.00 H new ATOM 0 HG2 GLN A 55 79.789 -11.625 -0.141 1.00 0.00 H new ATOM 0 HG3 GLN A 55 81.355 -12.368 0.121 1.00 0.00 H new ATOM 0 HE21 GLN A 55 82.772 -11.541 1.735 1.00 0.00 H new ATOM 0 HE22 GLN A 55 82.170 -10.487 3.019 1.00 0.00 H new ATOM 899 N GLY A 56 84.114 -12.117 -1.914 1.00 0.00 N ATOM 900 CA GLY A 56 84.912 -13.335 -1.889 1.00 0.00 C ATOM 901 C GLY A 56 84.083 -14.590 -2.107 1.00 0.00 C ATOM 902 O GLY A 56 84.287 -15.600 -1.436 1.00 0.00 O ATOM 0 H GLY A 56 83.879 -11.778 -2.847 1.00 0.00 H new ATOM 0 HA2 GLY A 56 85.681 -13.275 -2.659 1.00 0.00 H new ATOM 0 HA3 GLY A 56 85.426 -13.407 -0.930 1.00 0.00 H new ATOM 906 N VAL A 57 83.150 -14.526 -3.050 1.00 0.00 N ATOM 907 CA VAL A 57 82.283 -15.665 -3.357 1.00 0.00 C ATOM 908 C VAL A 57 82.156 -15.873 -4.867 1.00 0.00 C ATOM 909 O VAL A 57 82.211 -14.915 -5.638 1.00 0.00 O ATOM 910 CB VAL A 57 80.867 -15.499 -2.752 1.00 0.00 C ATOM 911 CG1 VAL A 57 80.773 -16.201 -1.406 1.00 0.00 C ATOM 912 CG2 VAL A 57 80.492 -14.029 -2.615 1.00 0.00 C ATOM 0 H VAL A 57 82.972 -13.698 -3.618 1.00 0.00 H new ATOM 0 HA VAL A 57 82.755 -16.538 -2.906 1.00 0.00 H new ATOM 0 HB VAL A 57 80.157 -15.963 -3.436 1.00 0.00 H new ATOM 0 HG11 VAL A 57 79.771 -16.072 -0.998 1.00 0.00 H new ATOM 0 HG12 VAL A 57 80.979 -17.264 -1.535 1.00 0.00 H new ATOM 0 HG13 VAL A 57 81.502 -15.771 -0.720 1.00 0.00 H new ATOM 0 HG21 VAL A 57 79.493 -13.947 -2.188 1.00 0.00 H new ATOM 0 HG22 VAL A 57 81.208 -13.530 -1.962 1.00 0.00 H new ATOM 0 HG23 VAL A 57 80.506 -13.557 -3.597 1.00 0.00 H new ATOM 922 N PRO A 58 81.999 -17.134 -5.312 1.00 0.00 N ATOM 923 CA PRO A 58 81.859 -17.459 -6.738 1.00 0.00 C ATOM 924 C PRO A 58 80.471 -17.114 -7.287 1.00 0.00 C ATOM 925 O PRO A 58 79.526 -16.903 -6.528 1.00 0.00 O ATOM 926 CB PRO A 58 82.095 -18.969 -6.771 1.00 0.00 C ATOM 927 CG PRO A 58 81.636 -19.449 -5.437 1.00 0.00 C ATOM 928 CD PRO A 58 81.955 -18.344 -4.463 1.00 0.00 C ATOM 0 HA PRO A 58 82.550 -16.889 -7.360 1.00 0.00 H new ATOM 0 HB2 PRO A 58 81.533 -19.441 -7.577 1.00 0.00 H new ATOM 0 HB3 PRO A 58 83.147 -19.203 -6.936 1.00 0.00 H new ATOM 0 HG2 PRO A 58 80.567 -19.664 -5.447 1.00 0.00 H new ATOM 0 HG3 PRO A 58 82.144 -20.372 -5.159 1.00 0.00 H new ATOM 0 HD2 PRO A 58 81.194 -18.262 -3.687 1.00 0.00 H new ATOM 0 HD3 PRO A 58 82.907 -18.515 -3.960 1.00 0.00 H new ATOM 936 N MET A 59 80.347 -17.084 -8.612 1.00 0.00 N ATOM 937 CA MET A 59 79.071 -16.758 -9.256 1.00 0.00 C ATOM 938 C MET A 59 78.167 -17.989 -9.397 1.00 0.00 C ATOM 939 O MET A 59 77.280 -18.027 -10.251 1.00 0.00 O ATOM 940 CB MET A 59 79.325 -16.136 -10.634 1.00 0.00 C ATOM 941 CG MET A 59 79.087 -14.635 -10.680 1.00 0.00 C ATOM 942 SD MET A 59 80.571 -13.712 -11.133 1.00 0.00 S ATOM 943 CE MET A 59 80.109 -13.094 -12.748 1.00 0.00 C ATOM 0 H MET A 59 81.109 -17.280 -9.261 1.00 0.00 H new ATOM 0 HA MET A 59 78.554 -16.041 -8.618 1.00 0.00 H new ATOM 0 HB2 MET A 59 80.353 -16.341 -10.932 1.00 0.00 H new ATOM 0 HB3 MET A 59 78.679 -16.620 -11.366 1.00 0.00 H new ATOM 0 HG2 MET A 59 78.295 -14.418 -11.397 1.00 0.00 H new ATOM 0 HG3 MET A 59 78.736 -14.296 -9.705 1.00 0.00 H new ATOM 0 HE1 MET A 59 81.007 -12.836 -13.309 1.00 0.00 H new ATOM 0 HE2 MET A 59 79.553 -13.862 -13.286 1.00 0.00 H new ATOM 0 HE3 MET A 59 79.485 -12.207 -12.634 1.00 0.00 H new ATOM 953 N ASN A 60 78.394 -18.994 -8.554 1.00 0.00 N ATOM 954 CA ASN A 60 77.592 -20.219 -8.585 1.00 0.00 C ATOM 955 C ASN A 60 76.770 -20.395 -7.300 1.00 0.00 C ATOM 956 O ASN A 60 76.051 -21.383 -7.146 1.00 0.00 O ATOM 957 CB ASN A 60 78.492 -21.443 -8.795 1.00 0.00 C ATOM 958 CG ASN A 60 78.598 -21.839 -10.254 1.00 0.00 C ATOM 959 OD1 ASN A 60 79.398 -21.285 -11.002 1.00 0.00 O ATOM 960 ND2 ASN A 60 77.795 -22.804 -10.667 1.00 0.00 N ATOM 0 H ASN A 60 79.124 -18.986 -7.842 1.00 0.00 H new ATOM 0 HA ASN A 60 76.898 -20.131 -9.421 1.00 0.00 H new ATOM 0 HB2 ASN A 60 79.488 -21.229 -8.406 1.00 0.00 H new ATOM 0 HB3 ASN A 60 78.099 -22.282 -8.221 1.00 0.00 H new ATOM 0 HD21 ASN A 60 77.827 -23.113 -11.639 1.00 0.00 H new ATOM 0 HD22 ASN A 60 77.144 -23.240 -10.014 1.00 0.00 H new ATOM 967 N SER A 61 76.872 -19.436 -6.384 1.00 0.00 N ATOM 968 CA SER A 61 76.135 -19.509 -5.125 1.00 0.00 C ATOM 969 C SER A 61 75.075 -18.415 -5.029 1.00 0.00 C ATOM 970 O SER A 61 73.999 -18.636 -4.471 1.00 0.00 O ATOM 971 CB SER A 61 77.096 -19.404 -3.937 1.00 0.00 C ATOM 972 OG SER A 61 77.956 -18.286 -4.073 1.00 0.00 O ATOM 0 H SER A 61 77.453 -18.604 -6.488 1.00 0.00 H new ATOM 0 HA SER A 61 75.629 -20.474 -5.098 1.00 0.00 H new ATOM 0 HB2 SER A 61 76.527 -19.318 -3.011 1.00 0.00 H new ATOM 0 HB3 SER A 61 77.689 -20.316 -3.863 1.00 0.00 H new ATOM 0 HG SER A 61 78.558 -18.241 -3.301 1.00 0.00 H new ATOM 978 N LEU A 62 75.372 -17.244 -5.586 1.00 0.00 N ATOM 979 CA LEU A 62 74.436 -16.120 -5.555 1.00 0.00 C ATOM 980 C LEU A 62 74.132 -15.608 -6.964 1.00 0.00 C ATOM 981 O LEU A 62 74.993 -15.625 -7.844 1.00 0.00 O ATOM 982 CB LEU A 62 74.992 -14.980 -4.691 1.00 0.00 C ATOM 983 CG LEU A 62 76.459 -15.126 -4.273 1.00 0.00 C ATOM 984 CD1 LEU A 62 77.353 -14.250 -5.137 1.00 0.00 C ATOM 985 CD2 LEU A 62 76.630 -14.779 -2.802 1.00 0.00 C ATOM 0 H LEU A 62 76.251 -17.047 -6.064 1.00 0.00 H new ATOM 0 HA LEU A 62 73.505 -16.478 -5.115 1.00 0.00 H new ATOM 0 HB2 LEU A 62 74.879 -14.044 -5.238 1.00 0.00 H new ATOM 0 HB3 LEU A 62 74.382 -14.898 -3.791 1.00 0.00 H new ATOM 0 HG LEU A 62 76.756 -16.165 -4.419 1.00 0.00 H new ATOM 0 HD11 LEU A 62 78.390 -14.368 -4.824 1.00 0.00 H new ATOM 0 HD12 LEU A 62 77.253 -14.546 -6.181 1.00 0.00 H new ATOM 0 HD13 LEU A 62 77.057 -13.207 -5.026 1.00 0.00 H new ATOM 0 HD21 LEU A 62 77.678 -14.888 -2.522 1.00 0.00 H new ATOM 0 HD22 LEU A 62 76.314 -13.750 -2.632 1.00 0.00 H new ATOM 0 HD23 LEU A 62 76.021 -15.450 -2.197 1.00 0.00 H new ATOM 997 N ARG A 63 72.900 -15.152 -7.167 1.00 0.00 N ATOM 998 CA ARG A 63 72.468 -14.633 -8.464 1.00 0.00 C ATOM 999 C ARG A 63 71.907 -13.216 -8.334 1.00 0.00 C ATOM 1000 O ARG A 63 71.309 -12.861 -7.317 1.00 0.00 O ATOM 1001 CB ARG A 63 71.409 -15.549 -9.097 1.00 0.00 C ATOM 1002 CG ARG A 63 70.827 -16.585 -8.145 1.00 0.00 C ATOM 1003 CD ARG A 63 69.364 -16.306 -7.837 1.00 0.00 C ATOM 1004 NE ARG A 63 68.926 -16.976 -6.617 1.00 0.00 N ATOM 1005 CZ ARG A 63 67.696 -17.421 -6.415 1.00 0.00 C ATOM 1006 NH1 ARG A 63 66.772 -17.265 -7.332 1.00 0.00 N ATOM 1007 NH2 ARG A 63 67.391 -18.023 -5.292 1.00 0.00 N ATOM 0 H ARG A 63 72.178 -15.131 -6.447 1.00 0.00 H new ATOM 0 HA ARG A 63 73.345 -14.605 -9.110 1.00 0.00 H new ATOM 0 HB2 ARG A 63 70.598 -14.933 -9.485 1.00 0.00 H new ATOM 0 HB3 ARG A 63 71.853 -16.064 -9.949 1.00 0.00 H new ATOM 0 HG2 ARG A 63 70.924 -17.578 -8.584 1.00 0.00 H new ATOM 0 HG3 ARG A 63 71.400 -16.590 -7.218 1.00 0.00 H new ATOM 0 HD2 ARG A 63 69.213 -15.231 -7.735 1.00 0.00 H new ATOM 0 HD3 ARG A 63 68.748 -16.636 -8.673 1.00 0.00 H new ATOM 0 HE ARG A 63 69.611 -17.110 -5.873 1.00 0.00 H new ATOM 0 HH11 ARG A 63 66.998 -16.797 -8.210 1.00 0.00 H new ATOM 0 HH12 ARG A 63 65.827 -17.611 -7.168 1.00 0.00 H new ATOM 0 HH21 ARG A 63 68.102 -18.149 -4.572 1.00 0.00 H new ATOM 0 HH22 ARG A 63 66.443 -18.365 -5.138 1.00 0.00 H new ATOM 1021 N LEU A 64 72.096 -12.415 -9.378 1.00 0.00 N ATOM 1022 CA LEU A 64 71.612 -11.032 -9.387 1.00 0.00 C ATOM 1023 C LEU A 64 70.330 -10.913 -10.216 1.00 0.00 C ATOM 1024 O LEU A 64 70.283 -11.350 -11.367 1.00 0.00 O ATOM 1025 CB LEU A 64 72.689 -10.086 -9.939 1.00 0.00 C ATOM 1026 CG LEU A 64 73.539 -9.380 -8.882 1.00 0.00 C ATOM 1027 CD1 LEU A 64 74.727 -10.241 -8.482 1.00 0.00 C ATOM 1028 CD2 LEU A 64 74.011 -8.028 -9.395 1.00 0.00 C ATOM 0 H LEU A 64 72.580 -12.697 -10.230 1.00 0.00 H new ATOM 0 HA LEU A 64 71.389 -10.745 -8.360 1.00 0.00 H new ATOM 0 HB2 LEU A 64 73.350 -10.656 -10.593 1.00 0.00 H new ATOM 0 HB3 LEU A 64 72.204 -9.330 -10.557 1.00 0.00 H new ATOM 0 HG LEU A 64 72.921 -9.220 -7.999 1.00 0.00 H new ATOM 0 HD11 LEU A 64 75.318 -9.719 -7.729 1.00 0.00 H new ATOM 0 HD12 LEU A 64 74.370 -11.186 -8.072 1.00 0.00 H new ATOM 0 HD13 LEU A 64 75.346 -10.436 -9.358 1.00 0.00 H new ATOM 0 HD21 LEU A 64 74.615 -7.539 -8.630 1.00 0.00 H new ATOM 0 HD22 LEU A 64 74.610 -8.169 -10.295 1.00 0.00 H new ATOM 0 HD23 LEU A 64 73.147 -7.406 -9.628 1.00 0.00 H new ATOM 1040 N LEU A 65 69.294 -10.322 -9.624 1.00 0.00 N ATOM 1041 CA LEU A 65 68.013 -10.157 -10.318 1.00 0.00 C ATOM 1042 C LEU A 65 67.367 -8.796 -10.020 1.00 0.00 C ATOM 1043 O LEU A 65 67.671 -8.153 -9.014 1.00 0.00 O ATOM 1044 CB LEU A 65 67.055 -11.342 -10.013 1.00 0.00 C ATOM 1045 CG LEU A 65 66.236 -11.338 -8.695 1.00 0.00 C ATOM 1046 CD1 LEU A 65 67.045 -10.850 -7.502 1.00 0.00 C ATOM 1047 CD2 LEU A 65 64.957 -10.523 -8.847 1.00 0.00 C ATOM 0 H LEU A 65 69.313 -9.951 -8.674 1.00 0.00 H new ATOM 0 HA LEU A 65 68.216 -10.171 -11.389 1.00 0.00 H new ATOM 0 HB2 LEU A 65 66.346 -11.411 -10.838 1.00 0.00 H new ATOM 0 HB3 LEU A 65 67.650 -12.255 -10.026 1.00 0.00 H new ATOM 0 HG LEU A 65 65.968 -12.375 -8.494 1.00 0.00 H new ATOM 0 HD11 LEU A 65 66.422 -10.868 -6.608 1.00 0.00 H new ATOM 0 HD12 LEU A 65 67.907 -11.500 -7.357 1.00 0.00 H new ATOM 0 HD13 LEU A 65 67.386 -9.831 -7.686 1.00 0.00 H new ATOM 0 HD21 LEU A 65 64.403 -10.537 -7.909 1.00 0.00 H new ATOM 0 HD22 LEU A 65 65.209 -9.494 -9.104 1.00 0.00 H new ATOM 0 HD23 LEU A 65 64.343 -10.954 -9.638 1.00 0.00 H new ATOM 1059 N PHE A 66 66.491 -8.356 -10.919 1.00 0.00 N ATOM 1060 CA PHE A 66 65.802 -7.076 -10.758 1.00 0.00 C ATOM 1061 C PHE A 66 64.354 -7.168 -11.240 1.00 0.00 C ATOM 1062 O PHE A 66 64.097 -7.607 -12.357 1.00 0.00 O ATOM 1063 CB PHE A 66 66.540 -5.973 -11.527 1.00 0.00 C ATOM 1064 CG PHE A 66 65.939 -4.605 -11.348 1.00 0.00 C ATOM 1065 CD1 PHE A 66 66.017 -3.954 -10.126 1.00 0.00 C ATOM 1066 CD2 PHE A 66 65.294 -3.974 -12.398 1.00 0.00 C ATOM 1067 CE1 PHE A 66 65.465 -2.699 -9.958 1.00 0.00 C ATOM 1068 CE2 PHE A 66 64.739 -2.718 -12.237 1.00 0.00 C ATOM 1069 CZ PHE A 66 64.824 -2.080 -11.014 1.00 0.00 C ATOM 0 H PHE A 66 66.241 -8.865 -11.766 1.00 0.00 H new ATOM 0 HA PHE A 66 65.796 -6.828 -9.697 1.00 0.00 H new ATOM 0 HB2 PHE A 66 67.580 -5.949 -11.201 1.00 0.00 H new ATOM 0 HB3 PHE A 66 66.544 -6.222 -12.588 1.00 0.00 H new ATOM 0 HD1 PHE A 66 66.515 -4.434 -9.296 1.00 0.00 H new ATOM 0 HD2 PHE A 66 65.223 -4.469 -13.355 1.00 0.00 H new ATOM 0 HE1 PHE A 66 65.534 -2.202 -9.002 1.00 0.00 H new ATOM 0 HE2 PHE A 66 64.240 -2.237 -13.065 1.00 0.00 H new ATOM 0 HZ PHE A 66 64.390 -1.100 -10.884 1.00 0.00 H new ATOM 1079 N GLU A 67 63.418 -6.771 -10.366 1.00 0.00 N ATOM 1080 CA GLU A 67 61.969 -6.776 -10.655 1.00 0.00 C ATOM 1081 C GLU A 67 61.447 -8.140 -11.153 1.00 0.00 C ATOM 1082 O GLU A 67 60.360 -8.228 -11.726 1.00 0.00 O ATOM 1083 CB GLU A 67 61.605 -5.642 -11.639 1.00 0.00 C ATOM 1084 CG GLU A 67 61.734 -5.999 -13.119 1.00 0.00 C ATOM 1085 CD GLU A 67 60.822 -5.167 -14.002 1.00 0.00 C ATOM 1086 OE1 GLU A 67 60.977 -3.927 -14.017 1.00 0.00 O ATOM 1087 OE2 GLU A 67 59.950 -5.754 -14.676 1.00 0.00 O ATOM 0 H GLU A 67 63.643 -6.434 -9.430 1.00 0.00 H new ATOM 0 HA GLU A 67 61.464 -6.594 -9.706 1.00 0.00 H new ATOM 0 HB2 GLU A 67 60.579 -5.330 -11.445 1.00 0.00 H new ATOM 0 HB3 GLU A 67 62.244 -4.784 -11.432 1.00 0.00 H new ATOM 0 HG2 GLU A 67 62.768 -5.857 -13.434 1.00 0.00 H new ATOM 0 HG3 GLU A 67 61.501 -7.055 -13.256 1.00 0.00 H new ATOM 1094 N GLY A 68 62.206 -9.205 -10.900 1.00 0.00 N ATOM 1095 CA GLY A 68 61.792 -10.533 -11.328 1.00 0.00 C ATOM 1096 C GLY A 68 62.499 -11.017 -12.588 1.00 0.00 C ATOM 1097 O GLY A 68 62.348 -12.173 -12.981 1.00 0.00 O ATOM 0 H GLY A 68 63.099 -9.173 -10.407 1.00 0.00 H new ATOM 0 HA2 GLY A 68 61.981 -11.241 -10.521 1.00 0.00 H new ATOM 0 HA3 GLY A 68 60.716 -10.530 -11.504 1.00 0.00 H new ATOM 1101 N GLN A 69 63.276 -10.139 -13.221 1.00 0.00 N ATOM 1102 CA GLN A 69 63.998 -10.504 -14.439 1.00 0.00 C ATOM 1103 C GLN A 69 65.446 -10.899 -14.134 1.00 0.00 C ATOM 1104 O GLN A 69 66.052 -10.409 -13.176 1.00 0.00 O ATOM 1105 CB GLN A 69 63.956 -9.351 -15.456 1.00 0.00 C ATOM 1106 CG GLN A 69 65.094 -8.345 -15.326 1.00 0.00 C ATOM 1107 CD GLN A 69 64.661 -6.921 -15.629 1.00 0.00 C ATOM 1108 OE1 GLN A 69 63.545 -6.678 -16.079 1.00 0.00 O ATOM 1109 NE2 GLN A 69 65.548 -5.971 -15.383 1.00 0.00 N ATOM 0 H GLN A 69 63.421 -9.177 -12.914 1.00 0.00 H new ATOM 0 HA GLN A 69 63.501 -11.372 -14.873 1.00 0.00 H new ATOM 0 HB2 GLN A 69 63.974 -9.771 -16.462 1.00 0.00 H new ATOM 0 HB3 GLN A 69 63.008 -8.823 -15.347 1.00 0.00 H new ATOM 0 HG2 GLN A 69 65.498 -8.389 -14.314 1.00 0.00 H new ATOM 0 HG3 GLN A 69 65.900 -8.626 -16.004 1.00 0.00 H new ATOM 0 HE21 GLN A 69 66.465 -6.214 -15.009 1.00 0.00 H new ATOM 0 HE22 GLN A 69 65.315 -4.995 -15.567 1.00 0.00 H new ATOM 1118 N ARG A 70 65.988 -11.799 -14.951 1.00 0.00 N ATOM 1119 CA ARG A 70 67.365 -12.261 -14.789 1.00 0.00 C ATOM 1120 C ARG A 70 68.351 -11.218 -15.319 1.00 0.00 C ATOM 1121 O ARG A 70 68.028 -10.449 -16.227 1.00 0.00 O ATOM 1122 CB ARG A 70 67.569 -13.606 -15.503 1.00 0.00 C ATOM 1123 CG ARG A 70 67.596 -13.507 -17.022 1.00 0.00 C ATOM 1124 CD ARG A 70 66.850 -14.662 -17.673 1.00 0.00 C ATOM 1125 NE ARG A 70 67.641 -15.890 -17.678 1.00 0.00 N ATOM 1126 CZ ARG A 70 67.162 -17.074 -18.028 1.00 0.00 C ATOM 1127 NH1 ARG A 70 65.913 -17.202 -18.398 1.00 0.00 N ATOM 1128 NH2 ARG A 70 67.937 -18.130 -18.006 1.00 0.00 N ATOM 0 H ARG A 70 65.493 -12.224 -15.735 1.00 0.00 H new ATOM 0 HA ARG A 70 67.555 -12.402 -13.725 1.00 0.00 H new ATOM 0 HB2 ARG A 70 68.505 -14.048 -15.162 1.00 0.00 H new ATOM 0 HB3 ARG A 70 66.770 -14.286 -15.208 1.00 0.00 H new ATOM 0 HG2 ARG A 70 67.149 -12.563 -17.333 1.00 0.00 H new ATOM 0 HG3 ARG A 70 68.630 -13.500 -17.368 1.00 0.00 H new ATOM 0 HD2 ARG A 70 65.915 -14.835 -17.141 1.00 0.00 H new ATOM 0 HD3 ARG A 70 66.589 -14.394 -18.697 1.00 0.00 H new ATOM 0 HE ARG A 70 68.619 -15.832 -17.395 1.00 0.00 H new ATOM 0 HH11 ARG A 70 65.301 -16.386 -18.418 1.00 0.00 H new ATOM 0 HH12 ARG A 70 65.552 -18.117 -18.666 1.00 0.00 H new ATOM 0 HH21 ARG A 70 68.912 -18.041 -17.719 1.00 0.00 H new ATOM 0 HH22 ARG A 70 67.566 -19.041 -18.276 1.00 0.00 H new ATOM 1142 N ILE A 71 69.553 -11.190 -14.754 1.00 0.00 N ATOM 1143 CA ILE A 71 70.557 -10.219 -15.181 1.00 0.00 C ATOM 1144 C ILE A 71 71.787 -10.896 -15.795 1.00 0.00 C ATOM 1145 O ILE A 71 72.513 -11.643 -15.132 1.00 0.00 O ATOM 1146 CB ILE A 71 70.976 -9.295 -14.008 1.00 0.00 C ATOM 1147 CG1 ILE A 71 69.975 -8.146 -13.855 1.00 0.00 C ATOM 1148 CG2 ILE A 71 72.376 -8.734 -14.212 1.00 0.00 C ATOM 1149 CD1 ILE A 71 69.763 -7.712 -12.427 1.00 0.00 C ATOM 0 H ILE A 71 69.855 -11.819 -14.009 1.00 0.00 H new ATOM 0 HA ILE A 71 70.096 -9.608 -15.957 1.00 0.00 H new ATOM 0 HB ILE A 71 70.980 -9.896 -13.099 1.00 0.00 H new ATOM 0 HG12 ILE A 71 70.324 -7.293 -14.437 1.00 0.00 H new ATOM 0 HG13 ILE A 71 69.018 -8.451 -14.278 1.00 0.00 H new ATOM 0 HG21 ILE A 71 72.636 -8.091 -13.371 1.00 0.00 H new ATOM 0 HG22 ILE A 71 73.091 -9.554 -14.277 1.00 0.00 H new ATOM 0 HG23 ILE A 71 72.405 -8.154 -15.135 1.00 0.00 H new ATOM 0 HD11 ILE A 71 69.042 -6.895 -12.398 1.00 0.00 H new ATOM 0 HD12 ILE A 71 69.384 -8.551 -11.844 1.00 0.00 H new ATOM 0 HD13 ILE A 71 70.710 -7.375 -12.005 1.00 0.00 H new ATOM 1161 N ALA A 72 71.993 -10.642 -17.083 1.00 0.00 N ATOM 1162 CA ALA A 72 73.135 -11.190 -17.808 1.00 0.00 C ATOM 1163 C ALA A 72 74.285 -10.178 -17.872 1.00 0.00 C ATOM 1164 O ALA A 72 74.069 -8.969 -17.799 1.00 0.00 O ATOM 1165 CB ALA A 72 72.720 -11.612 -19.210 1.00 0.00 C ATOM 0 H ALA A 72 71.380 -10.056 -17.650 1.00 0.00 H new ATOM 0 HA ALA A 72 73.488 -12.068 -17.268 1.00 0.00 H new ATOM 0 HB1 ALA A 72 73.583 -12.019 -19.738 1.00 0.00 H new ATOM 0 HB2 ALA A 72 71.942 -12.373 -19.146 1.00 0.00 H new ATOM 0 HB3 ALA A 72 72.337 -10.747 -19.752 1.00 0.00 H new ATOM 1171 N ASP A 73 75.501 -10.690 -18.034 1.00 0.00 N ATOM 1172 CA ASP A 73 76.706 -9.863 -18.099 1.00 0.00 C ATOM 1173 C ASP A 73 76.727 -8.966 -19.346 1.00 0.00 C ATOM 1174 O ASP A 73 77.377 -7.920 -19.356 1.00 0.00 O ATOM 1175 CB ASP A 73 77.947 -10.763 -18.084 1.00 0.00 C ATOM 1176 CG ASP A 73 78.036 -11.618 -16.832 1.00 0.00 C ATOM 1177 OD1 ASP A 73 77.171 -12.507 -16.655 1.00 0.00 O ATOM 1178 OD2 ASP A 73 78.972 -11.402 -16.034 1.00 0.00 O ATOM 0 H ASP A 73 75.681 -11.690 -18.124 1.00 0.00 H new ATOM 0 HA ASP A 73 76.707 -9.209 -17.227 1.00 0.00 H new ATOM 0 HB2 ASP A 73 77.932 -11.410 -18.961 1.00 0.00 H new ATOM 0 HB3 ASP A 73 78.841 -10.144 -18.160 1.00 0.00 H new ATOM 1183 N ASN A 74 76.010 -9.379 -20.388 1.00 0.00 N ATOM 1184 CA ASN A 74 75.950 -8.619 -21.641 1.00 0.00 C ATOM 1185 C ASN A 74 74.834 -7.565 -21.613 1.00 0.00 C ATOM 1186 O ASN A 74 74.490 -6.989 -22.646 1.00 0.00 O ATOM 1187 CB ASN A 74 75.737 -9.561 -22.834 1.00 0.00 C ATOM 1188 CG ASN A 74 75.994 -11.019 -22.493 1.00 0.00 C ATOM 1189 OD1 ASN A 74 75.224 -11.647 -21.769 1.00 0.00 O ATOM 1190 ND2 ASN A 74 77.078 -11.568 -23.014 1.00 0.00 N ATOM 0 H ASN A 74 75.460 -10.238 -20.393 1.00 0.00 H new ATOM 0 HA ASN A 74 76.904 -8.104 -21.751 1.00 0.00 H new ATOM 0 HB2 ASN A 74 74.715 -9.453 -23.197 1.00 0.00 H new ATOM 0 HB3 ASN A 74 76.397 -9.262 -23.648 1.00 0.00 H new ATOM 0 HD21 ASN A 74 77.299 -12.545 -22.820 1.00 0.00 H new ATOM 0 HD22 ASN A 74 77.693 -11.015 -23.610 1.00 0.00 H new ATOM 1197 N HIS A 75 74.280 -7.309 -20.431 1.00 0.00 N ATOM 1198 CA HIS A 75 73.204 -6.328 -20.282 1.00 0.00 C ATOM 1199 C HIS A 75 73.716 -5.019 -19.676 1.00 0.00 C ATOM 1200 O HIS A 75 74.808 -4.970 -19.109 1.00 0.00 O ATOM 1201 CB HIS A 75 72.099 -6.886 -19.384 1.00 0.00 C ATOM 1202 CG HIS A 75 71.208 -7.894 -20.049 1.00 0.00 C ATOM 1203 ND1 HIS A 75 70.341 -8.703 -19.347 1.00 0.00 N ATOM 1204 CD2 HIS A 75 71.037 -8.214 -21.356 1.00 0.00 C ATOM 1205 CE1 HIS A 75 69.675 -9.475 -20.187 1.00 0.00 C ATOM 1206 NE2 HIS A 75 70.079 -9.197 -21.414 1.00 0.00 N ATOM 0 H HIS A 75 74.557 -7.766 -19.562 1.00 0.00 H new ATOM 0 HA HIS A 75 72.812 -6.125 -21.278 1.00 0.00 H new ATOM 0 HB2 HIS A 75 72.557 -7.346 -18.508 1.00 0.00 H new ATOM 0 HB3 HIS A 75 71.487 -6.059 -19.026 1.00 0.00 H new ATOM 0 HD2 HIS A 75 71.557 -7.777 -22.195 1.00 0.00 H new ATOM 0 HE1 HIS A 75 68.929 -10.207 -19.917 1.00 0.00 H new ATOM 0 HE2 HIS A 75 69.735 -9.640 -22.266 1.00 0.00 H new ATOM 1214 N THR A 76 72.916 -3.964 -19.812 1.00 0.00 N ATOM 1215 CA THR A 76 73.254 -2.655 -19.259 1.00 0.00 C ATOM 1216 C THR A 76 72.142 -2.177 -18.323 1.00 0.00 C ATOM 1217 O THR A 76 70.961 -2.425 -18.584 1.00 0.00 O ATOM 1218 CB THR A 76 73.463 -1.599 -20.365 1.00 0.00 C ATOM 1219 OG1 THR A 76 72.351 -1.612 -21.267 1.00 0.00 O ATOM 1220 CG2 THR A 76 74.750 -1.856 -21.134 1.00 0.00 C ATOM 0 H THR A 76 72.023 -3.991 -20.304 1.00 0.00 H new ATOM 0 HA THR A 76 74.189 -2.769 -18.710 1.00 0.00 H new ATOM 0 HB THR A 76 73.538 -0.621 -19.890 1.00 0.00 H new ATOM 0 HG1 THR A 76 72.651 -1.343 -22.160 1.00 0.00 H new ATOM 0 HG21 THR A 76 74.870 -1.096 -21.906 1.00 0.00 H new ATOM 0 HG22 THR A 76 75.597 -1.815 -20.449 1.00 0.00 H new ATOM 0 HG23 THR A 76 74.706 -2.841 -21.598 1.00 0.00 H new ATOM 1228 N PRO A 77 72.497 -1.488 -17.220 1.00 0.00 N ATOM 1229 CA PRO A 77 71.515 -0.979 -16.243 1.00 0.00 C ATOM 1230 C PRO A 77 70.411 -0.127 -16.878 1.00 0.00 C ATOM 1231 O PRO A 77 69.233 -0.281 -16.550 1.00 0.00 O ATOM 1232 CB PRO A 77 72.363 -0.120 -15.305 1.00 0.00 C ATOM 1233 CG PRO A 77 73.736 -0.685 -15.408 1.00 0.00 C ATOM 1234 CD PRO A 77 73.881 -1.164 -16.826 1.00 0.00 C ATOM 0 HA PRO A 77 70.986 -1.797 -15.753 1.00 0.00 H new ATOM 0 HB2 PRO A 77 72.343 0.928 -15.603 1.00 0.00 H new ATOM 0 HB3 PRO A 77 71.992 -0.167 -14.281 1.00 0.00 H new ATOM 0 HG2 PRO A 77 74.487 0.069 -15.172 1.00 0.00 H new ATOM 0 HG3 PRO A 77 73.875 -1.505 -14.703 1.00 0.00 H new ATOM 0 HD2 PRO A 77 74.312 -0.396 -17.468 1.00 0.00 H new ATOM 0 HD3 PRO A 77 74.532 -2.036 -16.891 1.00 0.00 H new ATOM 1242 N LYS A 78 70.799 0.761 -17.793 1.00 0.00 N ATOM 1243 CA LYS A 78 69.845 1.643 -18.472 1.00 0.00 C ATOM 1244 C LYS A 78 68.834 0.863 -19.327 1.00 0.00 C ATOM 1245 O LYS A 78 67.705 1.311 -19.523 1.00 0.00 O ATOM 1246 CB LYS A 78 70.590 2.676 -19.332 1.00 0.00 C ATOM 1247 CG LYS A 78 71.228 2.105 -20.592 1.00 0.00 C ATOM 1248 CD LYS A 78 71.885 3.193 -21.424 1.00 0.00 C ATOM 1249 CE LYS A 78 72.448 2.639 -22.724 1.00 0.00 C ATOM 1250 NZ LYS A 78 72.432 3.653 -23.815 1.00 0.00 N ATOM 0 H LYS A 78 71.768 0.890 -18.083 1.00 0.00 H new ATOM 0 HA LYS A 78 69.279 2.161 -17.698 1.00 0.00 H new ATOM 0 HB2 LYS A 78 69.892 3.463 -19.618 1.00 0.00 H new ATOM 0 HB3 LYS A 78 71.367 3.143 -18.726 1.00 0.00 H new ATOM 0 HG2 LYS A 78 71.971 1.356 -20.318 1.00 0.00 H new ATOM 0 HG3 LYS A 78 70.469 1.598 -21.188 1.00 0.00 H new ATOM 0 HD2 LYS A 78 71.156 3.973 -21.645 1.00 0.00 H new ATOM 0 HD3 LYS A 78 72.685 3.658 -20.849 1.00 0.00 H new ATOM 0 HE2 LYS A 78 73.470 2.298 -22.560 1.00 0.00 H new ATOM 0 HE3 LYS A 78 71.867 1.769 -23.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 72.824 3.235 -24.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 71.454 3.960 -23.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 73.007 4.473 -23.535 1.00 0.00 H new ATOM 1264 N GLU A 79 69.237 -0.306 -19.828 1.00 0.00 N ATOM 1265 CA GLU A 79 68.352 -1.130 -20.650 1.00 0.00 C ATOM 1266 C GLU A 79 67.497 -2.058 -19.783 1.00 0.00 C ATOM 1267 O GLU A 79 66.375 -2.405 -20.149 1.00 0.00 O ATOM 1268 CB GLU A 79 69.165 -1.953 -21.651 1.00 0.00 C ATOM 1269 CG GLU A 79 69.171 -1.371 -23.056 1.00 0.00 C ATOM 1270 CD GLU A 79 70.348 -1.848 -23.884 1.00 0.00 C ATOM 1271 OE1 GLU A 79 70.221 -2.898 -24.549 1.00 0.00 O ATOM 1272 OE2 GLU A 79 71.401 -1.171 -23.869 1.00 0.00 O ATOM 0 H GLU A 79 70.166 -0.701 -19.680 1.00 0.00 H new ATOM 0 HA GLU A 79 67.686 -0.462 -21.196 1.00 0.00 H new ATOM 0 HB2 GLU A 79 70.192 -2.031 -21.295 1.00 0.00 H new ATOM 0 HB3 GLU A 79 68.763 -2.965 -21.688 1.00 0.00 H new ATOM 0 HG2 GLU A 79 68.244 -1.642 -23.561 1.00 0.00 H new ATOM 0 HG3 GLU A 79 69.194 -0.283 -22.994 1.00 0.00 H new ATOM 1279 N LEU A 80 68.038 -2.457 -18.633 1.00 0.00 N ATOM 1280 CA LEU A 80 67.325 -3.342 -17.710 1.00 0.00 C ATOM 1281 C LEU A 80 66.241 -2.608 -16.906 1.00 0.00 C ATOM 1282 O LEU A 80 65.493 -3.235 -16.152 1.00 0.00 O ATOM 1283 CB LEU A 80 68.317 -4.008 -16.755 1.00 0.00 C ATOM 1284 CG LEU A 80 69.153 -5.130 -17.372 1.00 0.00 C ATOM 1285 CD1 LEU A 80 70.138 -5.679 -16.356 1.00 0.00 C ATOM 1286 CD2 LEU A 80 68.252 -6.239 -17.897 1.00 0.00 C ATOM 0 H LEU A 80 68.968 -2.182 -18.317 1.00 0.00 H new ATOM 0 HA LEU A 80 66.823 -4.098 -18.314 1.00 0.00 H new ATOM 0 HB2 LEU A 80 68.991 -3.245 -16.365 1.00 0.00 H new ATOM 0 HB3 LEU A 80 67.766 -4.411 -15.905 1.00 0.00 H new ATOM 0 HG LEU A 80 69.717 -4.720 -18.210 1.00 0.00 H new ATOM 0 HD11 LEU A 80 70.725 -6.477 -16.812 1.00 0.00 H new ATOM 0 HD12 LEU A 80 70.804 -4.881 -16.027 1.00 0.00 H new ATOM 0 HD13 LEU A 80 69.594 -6.074 -15.498 1.00 0.00 H new ATOM 0 HD21 LEU A 80 68.864 -7.029 -18.333 1.00 0.00 H new ATOM 0 HD22 LEU A 80 67.662 -6.647 -17.077 1.00 0.00 H new ATOM 0 HD23 LEU A 80 67.584 -5.836 -18.658 1.00 0.00 H new ATOM 1298 N GLY A 81 66.158 -1.288 -17.061 1.00 0.00 N ATOM 1299 CA GLY A 81 65.150 -0.520 -16.352 1.00 0.00 C ATOM 1300 C GLY A 81 65.624 0.053 -15.024 1.00 0.00 C ATOM 1301 O GLY A 81 64.803 0.429 -14.186 1.00 0.00 O ATOM 0 H GLY A 81 66.770 -0.738 -17.664 1.00 0.00 H new ATOM 0 HA2 GLY A 81 64.817 0.298 -16.990 1.00 0.00 H new ATOM 0 HA3 GLY A 81 64.284 -1.157 -16.172 1.00 0.00 H new ATOM 1305 N MET A 82 66.937 0.134 -14.817 1.00 0.00 N ATOM 1306 CA MET A 82 67.459 0.686 -13.567 1.00 0.00 C ATOM 1307 C MET A 82 67.825 2.159 -13.750 1.00 0.00 C ATOM 1308 O MET A 82 68.776 2.493 -14.456 1.00 0.00 O ATOM 1309 CB MET A 82 68.687 -0.108 -13.115 1.00 0.00 C ATOM 1310 CG MET A 82 68.347 -1.389 -12.368 1.00 0.00 C ATOM 1311 SD MET A 82 68.656 -2.867 -13.351 1.00 0.00 S ATOM 1312 CE MET A 82 70.424 -3.047 -13.146 1.00 0.00 C ATOM 0 H MET A 82 67.647 -0.169 -15.484 1.00 0.00 H new ATOM 0 HA MET A 82 66.687 0.610 -12.801 1.00 0.00 H new ATOM 0 HB2 MET A 82 69.290 -0.357 -13.989 1.00 0.00 H new ATOM 0 HB3 MET A 82 69.301 0.524 -12.473 1.00 0.00 H new ATOM 0 HG2 MET A 82 68.935 -1.437 -11.451 1.00 0.00 H new ATOM 0 HG3 MET A 82 67.298 -1.366 -12.073 1.00 0.00 H new ATOM 0 HE1 MET A 82 70.781 -3.868 -13.768 1.00 0.00 H new ATOM 0 HE2 MET A 82 70.921 -2.124 -13.444 1.00 0.00 H new ATOM 0 HE3 MET A 82 70.649 -3.259 -12.101 1.00 0.00 H new ATOM 1322 N GLU A 83 67.068 3.039 -13.096 1.00 0.00 N ATOM 1323 CA GLU A 83 67.299 4.484 -13.199 1.00 0.00 C ATOM 1324 C GLU A 83 67.190 5.181 -11.846 1.00 0.00 C ATOM 1325 O GLU A 83 66.418 4.751 -10.985 1.00 0.00 O ATOM 1326 CB GLU A 83 66.328 5.119 -14.197 1.00 0.00 C ATOM 1327 CG GLU A 83 66.545 4.650 -15.623 1.00 0.00 C ATOM 1328 CD GLU A 83 66.578 5.791 -16.622 1.00 0.00 C ATOM 1329 OE1 GLU A 83 65.503 6.148 -17.151 1.00 0.00 O ATOM 1330 OE2 GLU A 83 67.676 6.328 -16.874 1.00 0.00 O ATOM 0 H GLU A 83 66.290 2.780 -12.489 1.00 0.00 H new ATOM 0 HA GLU A 83 68.319 4.618 -13.559 1.00 0.00 H new ATOM 0 HB2 GLU A 83 65.306 4.888 -13.897 1.00 0.00 H new ATOM 0 HB3 GLU A 83 66.434 6.203 -14.158 1.00 0.00 H new ATOM 0 HG2 GLU A 83 67.483 4.097 -15.679 1.00 0.00 H new ATOM 0 HG3 GLU A 83 65.750 3.957 -15.897 1.00 0.00 H new ATOM 1337 N GLU A 84 67.954 6.270 -11.687 1.00 0.00 N ATOM 1338 CA GLU A 84 67.973 7.095 -10.461 1.00 0.00 C ATOM 1339 C GLU A 84 68.489 6.343 -9.232 1.00 0.00 C ATOM 1340 O GLU A 84 69.425 6.794 -8.573 1.00 0.00 O ATOM 1341 CB GLU A 84 66.581 7.672 -10.175 1.00 0.00 C ATOM 1342 CG GLU A 84 66.237 8.894 -11.015 1.00 0.00 C ATOM 1343 CD GLU A 84 65.029 8.671 -11.904 1.00 0.00 C ATOM 1344 OE1 GLU A 84 63.899 8.951 -11.453 1.00 0.00 O ATOM 1345 OE2 GLU A 84 65.214 8.216 -13.052 1.00 0.00 O ATOM 0 H GLU A 84 68.585 6.611 -12.412 1.00 0.00 H new ATOM 0 HA GLU A 84 68.675 7.906 -10.654 1.00 0.00 H new ATOM 0 HB2 GLU A 84 65.834 6.899 -10.353 1.00 0.00 H new ATOM 0 HB3 GLU A 84 66.518 7.939 -9.120 1.00 0.00 H new ATOM 0 HG2 GLU A 84 66.047 9.741 -10.356 1.00 0.00 H new ATOM 0 HG3 GLU A 84 67.095 9.158 -11.634 1.00 0.00 H new ATOM 1352 N GLU A 85 67.885 5.205 -8.924 1.00 0.00 N ATOM 1353 CA GLU A 85 68.307 4.405 -7.783 1.00 0.00 C ATOM 1354 C GLU A 85 69.364 3.394 -8.214 1.00 0.00 C ATOM 1355 O GLU A 85 70.324 3.149 -7.486 1.00 0.00 O ATOM 1356 CB GLU A 85 67.113 3.690 -7.146 1.00 0.00 C ATOM 1357 CG GLU A 85 67.017 3.888 -5.640 1.00 0.00 C ATOM 1358 CD GLU A 85 65.597 3.748 -5.121 1.00 0.00 C ATOM 1359 OE1 GLU A 85 64.857 4.754 -5.137 1.00 0.00 O ATOM 1360 OE2 GLU A 85 65.228 2.632 -4.700 1.00 0.00 O ATOM 0 H GLU A 85 67.102 4.815 -9.448 1.00 0.00 H new ATOM 0 HA GLU A 85 68.739 5.072 -7.037 1.00 0.00 H new ATOM 0 HB2 GLU A 85 66.195 4.049 -7.611 1.00 0.00 H new ATOM 0 HB3 GLU A 85 67.182 2.623 -7.360 1.00 0.00 H new ATOM 0 HG2 GLU A 85 67.656 3.160 -5.140 1.00 0.00 H new ATOM 0 HG3 GLU A 85 67.398 4.876 -5.382 1.00 0.00 H new ATOM 1367 N ASP A 86 69.183 2.825 -9.420 1.00 0.00 N ATOM 1368 CA ASP A 86 70.127 1.843 -9.978 1.00 0.00 C ATOM 1369 C ASP A 86 70.445 0.684 -9.004 1.00 0.00 C ATOM 1370 O ASP A 86 71.457 0.002 -9.153 1.00 0.00 O ATOM 1371 CB ASP A 86 71.408 2.559 -10.423 1.00 0.00 C ATOM 1372 CG ASP A 86 72.232 1.748 -11.406 1.00 0.00 C ATOM 1373 OD1 ASP A 86 71.637 0.966 -12.175 1.00 0.00 O ATOM 1374 OD2 ASP A 86 73.471 1.904 -11.412 1.00 0.00 O ATOM 0 H ASP A 86 68.389 3.030 -10.027 1.00 0.00 H new ATOM 0 HA ASP A 86 69.647 1.381 -10.841 1.00 0.00 H new ATOM 0 HB2 ASP A 86 71.144 3.513 -10.879 1.00 0.00 H new ATOM 0 HB3 ASP A 86 72.016 2.782 -9.546 1.00 0.00 H new ATOM 1379 N VAL A 87 69.580 0.469 -8.013 1.00 0.00 N ATOM 1380 CA VAL A 87 69.800 -0.570 -7.003 1.00 0.00 C ATOM 1381 C VAL A 87 69.436 -1.974 -7.511 1.00 0.00 C ATOM 1382 O VAL A 87 68.360 -2.195 -8.069 1.00 0.00 O ATOM 1383 CB VAL A 87 68.991 -0.264 -5.715 1.00 0.00 C ATOM 1384 CG1 VAL A 87 67.535 0.042 -6.041 1.00 0.00 C ATOM 1385 CG2 VAL A 87 69.080 -1.414 -4.719 1.00 0.00 C ATOM 0 H VAL A 87 68.719 1.001 -7.887 1.00 0.00 H new ATOM 0 HA VAL A 87 70.867 -0.561 -6.780 1.00 0.00 H new ATOM 0 HB VAL A 87 69.434 0.620 -5.255 1.00 0.00 H new ATOM 0 HG11 VAL A 87 66.992 0.253 -5.119 1.00 0.00 H new ATOM 0 HG12 VAL A 87 67.484 0.910 -6.699 1.00 0.00 H new ATOM 0 HG13 VAL A 87 67.085 -0.817 -6.539 1.00 0.00 H new ATOM 0 HG21 VAL A 87 68.503 -1.169 -3.827 1.00 0.00 H new ATOM 0 HG22 VAL A 87 68.679 -2.320 -5.173 1.00 0.00 H new ATOM 0 HG23 VAL A 87 70.122 -1.577 -4.443 1.00 0.00 H new ATOM 1395 N ILE A 88 70.365 -2.915 -7.320 1.00 0.00 N ATOM 1396 CA ILE A 88 70.162 -4.308 -7.730 1.00 0.00 C ATOM 1397 C ILE A 88 70.048 -5.222 -6.507 1.00 0.00 C ATOM 1398 O ILE A 88 70.606 -4.926 -5.448 1.00 0.00 O ATOM 1399 CB ILE A 88 71.305 -4.837 -8.633 1.00 0.00 C ATOM 1400 CG1 ILE A 88 72.115 -3.688 -9.249 1.00 0.00 C ATOM 1401 CG2 ILE A 88 70.737 -5.728 -9.727 1.00 0.00 C ATOM 1402 CD1 ILE A 88 73.319 -4.147 -10.048 1.00 0.00 C ATOM 0 H ILE A 88 71.269 -2.736 -6.882 1.00 0.00 H new ATOM 0 HA ILE A 88 69.235 -4.322 -8.303 1.00 0.00 H new ATOM 0 HB ILE A 88 71.981 -5.422 -8.009 1.00 0.00 H new ATOM 0 HG12 ILE A 88 71.463 -3.103 -9.897 1.00 0.00 H new ATOM 0 HG13 ILE A 88 72.451 -3.025 -8.452 1.00 0.00 H new ATOM 0 HG21 ILE A 88 71.548 -6.094 -10.356 1.00 0.00 H new ATOM 0 HG22 ILE A 88 70.218 -6.573 -9.275 1.00 0.00 H new ATOM 0 HG23 ILE A 88 70.037 -5.156 -10.335 1.00 0.00 H new ATOM 0 HD11 ILE A 88 73.840 -3.279 -10.451 1.00 0.00 H new ATOM 0 HD12 ILE A 88 73.994 -4.707 -9.400 1.00 0.00 H new ATOM 0 HD13 ILE A 88 72.990 -4.786 -10.868 1.00 0.00 H new ATOM 1414 N GLU A 89 69.332 -6.334 -6.657 1.00 0.00 N ATOM 1415 CA GLU A 89 69.154 -7.278 -5.549 1.00 0.00 C ATOM 1416 C GLU A 89 69.835 -8.616 -5.838 1.00 0.00 C ATOM 1417 O GLU A 89 69.779 -9.131 -6.957 1.00 0.00 O ATOM 1418 CB GLU A 89 67.664 -7.496 -5.252 1.00 0.00 C ATOM 1419 CG GLU A 89 67.375 -7.811 -3.791 1.00 0.00 C ATOM 1420 CD GLU A 89 65.979 -7.394 -3.366 1.00 0.00 C ATOM 1421 OE1 GLU A 89 65.674 -6.185 -3.430 1.00 0.00 O ATOM 1422 OE2 GLU A 89 65.188 -8.278 -2.967 1.00 0.00 O ATOM 0 H GLU A 89 68.869 -6.605 -7.524 1.00 0.00 H new ATOM 0 HA GLU A 89 69.627 -6.841 -4.670 1.00 0.00 H new ATOM 0 HB2 GLU A 89 67.110 -6.602 -5.539 1.00 0.00 H new ATOM 0 HB3 GLU A 89 67.294 -8.313 -5.872 1.00 0.00 H new ATOM 0 HG2 GLU A 89 67.497 -8.881 -3.624 1.00 0.00 H new ATOM 0 HG3 GLU A 89 68.108 -7.305 -3.163 1.00 0.00 H new ATOM 1429 N VAL A 90 70.488 -9.169 -4.821 1.00 0.00 N ATOM 1430 CA VAL A 90 71.183 -10.448 -4.951 1.00 0.00 C ATOM 1431 C VAL A 90 70.555 -11.515 -4.050 1.00 0.00 C ATOM 1432 O VAL A 90 70.258 -11.259 -2.884 1.00 0.00 O ATOM 1433 CB VAL A 90 72.683 -10.317 -4.597 1.00 0.00 C ATOM 1434 CG1 VAL A 90 73.457 -11.532 -5.083 1.00 0.00 C ATOM 1435 CG2 VAL A 90 73.269 -9.039 -5.181 1.00 0.00 C ATOM 0 H VAL A 90 70.551 -8.750 -3.893 1.00 0.00 H new ATOM 0 HA VAL A 90 71.086 -10.751 -5.994 1.00 0.00 H new ATOM 0 HB VAL A 90 72.771 -10.265 -3.512 1.00 0.00 H new ATOM 0 HG11 VAL A 90 74.510 -11.420 -4.824 1.00 0.00 H new ATOM 0 HG12 VAL A 90 73.060 -12.430 -4.609 1.00 0.00 H new ATOM 0 HG13 VAL A 90 73.357 -11.618 -6.165 1.00 0.00 H new ATOM 0 HG21 VAL A 90 74.325 -8.970 -4.918 1.00 0.00 H new ATOM 0 HG22 VAL A 90 73.165 -9.054 -6.266 1.00 0.00 H new ATOM 0 HG23 VAL A 90 72.737 -8.177 -4.777 1.00 0.00 H new ATOM 1445 N TYR A 91 70.357 -12.711 -4.597 1.00 0.00 N ATOM 1446 CA TYR A 91 69.772 -13.818 -3.836 1.00 0.00 C ATOM 1447 C TYR A 91 70.640 -15.070 -3.948 1.00 0.00 C ATOM 1448 O TYR A 91 71.349 -15.258 -4.935 1.00 0.00 O ATOM 1449 CB TYR A 91 68.349 -14.127 -4.319 1.00 0.00 C ATOM 1450 CG TYR A 91 67.293 -13.210 -3.741 1.00 0.00 C ATOM 1451 CD1 TYR A 91 66.324 -12.640 -4.555 1.00 0.00 C ATOM 1452 CD2 TYR A 91 67.266 -12.913 -2.382 1.00 0.00 C ATOM 1453 CE1 TYR A 91 65.357 -11.802 -4.036 1.00 0.00 C ATOM 1454 CE2 TYR A 91 66.301 -12.074 -1.856 1.00 0.00 C ATOM 1455 CZ TYR A 91 65.350 -11.521 -2.686 1.00 0.00 C ATOM 1456 OH TYR A 91 64.390 -10.682 -2.168 1.00 0.00 O ATOM 0 H TYR A 91 70.592 -12.941 -5.563 1.00 0.00 H new ATOM 0 HA TYR A 91 69.726 -13.512 -2.791 1.00 0.00 H new ATOM 0 HB2 TYR A 91 68.322 -14.057 -5.406 1.00 0.00 H new ATOM 0 HB3 TYR A 91 68.103 -15.157 -4.060 1.00 0.00 H new ATOM 0 HD1 TYR A 91 66.326 -12.856 -5.613 1.00 0.00 H new ATOM 0 HD2 TYR A 91 68.010 -13.344 -1.728 1.00 0.00 H new ATOM 0 HE1 TYR A 91 64.610 -11.369 -4.684 1.00 0.00 H new ATOM 0 HE2 TYR A 91 66.293 -11.853 -0.799 1.00 0.00 H new ATOM 0 HH TYR A 91 64.476 -9.795 -2.576 1.00 0.00 H new ATOM 1466 N GLN A 92 70.581 -15.928 -2.935 1.00 0.00 N ATOM 1467 CA GLN A 92 71.373 -17.158 -2.935 1.00 0.00 C ATOM 1468 C GLN A 92 70.606 -18.319 -3.572 1.00 0.00 C ATOM 1469 O GLN A 92 69.382 -18.413 -3.457 1.00 0.00 O ATOM 1470 CB GLN A 92 71.805 -17.525 -1.510 1.00 0.00 C ATOM 1471 CG GLN A 92 70.647 -17.750 -0.546 1.00 0.00 C ATOM 1472 CD GLN A 92 70.955 -17.268 0.859 1.00 0.00 C ATOM 1473 OE1 GLN A 92 71.870 -16.476 1.074 1.00 0.00 O ATOM 1474 NE2 GLN A 92 70.191 -17.742 1.829 1.00 0.00 N ATOM 0 H GLN A 92 69.998 -15.798 -2.108 1.00 0.00 H new ATOM 0 HA GLN A 92 72.264 -16.974 -3.536 1.00 0.00 H new ATOM 0 HB2 GLN A 92 72.413 -18.429 -1.548 1.00 0.00 H new ATOM 0 HB3 GLN A 92 72.440 -16.730 -1.119 1.00 0.00 H new ATOM 0 HG2 GLN A 92 69.763 -17.232 -0.918 1.00 0.00 H new ATOM 0 HG3 GLN A 92 70.405 -18.812 -0.517 1.00 0.00 H new ATOM 0 HE21 GLN A 92 69.441 -18.398 1.613 1.00 0.00 H new ATOM 0 HE22 GLN A 92 70.352 -17.451 2.793 1.00 0.00 H new ATOM 1483 N GLU A 93 71.338 -19.192 -4.255 1.00 0.00 N ATOM 1484 CA GLU A 93 70.742 -20.354 -4.914 1.00 0.00 C ATOM 1485 C GLU A 93 71.568 -21.616 -4.667 1.00 0.00 C ATOM 1486 O GLU A 93 71.013 -22.680 -4.395 1.00 0.00 O ATOM 1487 CB GLU A 93 70.616 -20.102 -6.419 1.00 0.00 C ATOM 1488 CG GLU A 93 69.443 -20.827 -7.063 1.00 0.00 C ATOM 1489 CD GLU A 93 69.198 -20.393 -8.497 1.00 0.00 C ATOM 1490 OE1 GLU A 93 70.186 -20.116 -9.213 1.00 0.00 O ATOM 1491 OE2 GLU A 93 68.020 -20.336 -8.909 1.00 0.00 O ATOM 0 H GLU A 93 72.349 -19.119 -4.368 1.00 0.00 H new ATOM 0 HA GLU A 93 69.750 -20.507 -4.489 1.00 0.00 H new ATOM 0 HB2 GLU A 93 70.509 -19.031 -6.592 1.00 0.00 H new ATOM 0 HB3 GLU A 93 71.538 -20.414 -6.909 1.00 0.00 H new ATOM 0 HG2 GLU A 93 69.629 -21.901 -7.040 1.00 0.00 H new ATOM 0 HG3 GLU A 93 68.543 -20.646 -6.475 1.00 0.00 H new ATOM 1498 N GLN A 94 72.896 -21.475 -4.759 1.00 0.00 N ATOM 1499 CA GLN A 94 73.836 -22.591 -4.555 1.00 0.00 C ATOM 1500 C GLN A 94 73.611 -23.731 -5.558 1.00 0.00 C ATOM 1501 O GLN A 94 72.869 -24.676 -5.291 1.00 0.00 O ATOM 1502 CB GLN A 94 73.737 -23.127 -3.122 1.00 0.00 C ATOM 1503 CG GLN A 94 74.153 -22.119 -2.061 1.00 0.00 C ATOM 1504 CD GLN A 94 75.474 -22.473 -1.404 1.00 0.00 C ATOM 1505 OE1 GLN A 94 76.526 -21.963 -1.782 1.00 0.00 O ATOM 1506 NE2 GLN A 94 75.429 -23.351 -0.415 1.00 0.00 N ATOM 0 H GLN A 94 73.351 -20.588 -4.976 1.00 0.00 H new ATOM 0 HA GLN A 94 74.838 -22.196 -4.723 1.00 0.00 H new ATOM 0 HB2 GLN A 94 72.710 -23.440 -2.931 1.00 0.00 H new ATOM 0 HB3 GLN A 94 74.363 -24.015 -3.032 1.00 0.00 H new ATOM 0 HG2 GLN A 94 74.231 -21.131 -2.515 1.00 0.00 H new ATOM 0 HG3 GLN A 94 73.377 -22.059 -1.298 1.00 0.00 H new ATOM 0 HE21 GLN A 94 74.536 -23.753 -0.130 1.00 0.00 H new ATOM 0 HE22 GLN A 94 76.288 -23.626 0.062 1.00 0.00 H new ATOM 1515 N THR A 95 74.277 -23.650 -6.710 1.00 0.00 N ATOM 1516 CA THR A 95 74.135 -24.674 -7.746 1.00 0.00 C ATOM 1517 C THR A 95 75.478 -24.997 -8.404 1.00 0.00 C ATOM 1518 O THR A 95 76.227 -24.099 -8.792 1.00 0.00 O ATOM 1519 CB THR A 95 73.121 -24.251 -8.834 1.00 0.00 C ATOM 1520 OG1 THR A 95 73.325 -25.023 -10.025 1.00 0.00 O ATOM 1521 CG2 THR A 95 73.245 -22.767 -9.159 1.00 0.00 C ATOM 0 H THR A 95 74.916 -22.892 -6.949 1.00 0.00 H new ATOM 0 HA THR A 95 73.761 -25.568 -7.247 1.00 0.00 H new ATOM 0 HB THR A 95 72.119 -24.435 -8.446 1.00 0.00 H new ATOM 0 HG1 THR A 95 72.677 -24.749 -10.707 1.00 0.00 H new ATOM 0 HG21 THR A 95 72.519 -22.501 -9.927 1.00 0.00 H new ATOM 0 HG22 THR A 95 73.054 -22.181 -8.260 1.00 0.00 H new ATOM 0 HG23 THR A 95 74.251 -22.557 -9.522 1.00 0.00 H new ATOM 1529 N GLY A 96 75.780 -26.287 -8.517 1.00 0.00 N ATOM 1530 CA GLY A 96 77.030 -26.708 -9.128 1.00 0.00 C ATOM 1531 C GLY A 96 78.121 -26.979 -8.105 1.00 0.00 C ATOM 1532 O GLY A 96 77.960 -27.820 -7.222 1.00 0.00 O ATOM 0 H GLY A 96 75.182 -27.049 -8.197 1.00 0.00 H new ATOM 0 HA2 GLY A 96 76.857 -27.609 -9.716 1.00 0.00 H new ATOM 0 HA3 GLY A 96 77.369 -25.937 -9.820 1.00 0.00 H new ATOM 1536 N GLY A 97 79.237 -26.268 -8.228 1.00 0.00 N ATOM 1537 CA GLY A 97 80.347 -26.449 -7.300 1.00 0.00 C ATOM 1538 C GLY A 97 81.252 -27.616 -7.668 1.00 0.00 C ATOM 1539 O GLY A 97 81.436 -27.868 -8.879 1.00 0.00 O ATOM 1540 OXT GLY A 97 81.782 -28.271 -6.745 1.00 0.00 O ATOM 0 H GLY A 97 79.396 -25.568 -8.953 1.00 0.00 H new ATOM 0 HA2 GLY A 97 80.939 -25.534 -7.269 1.00 0.00 H new ATOM 0 HA3 GLY A 97 79.951 -26.607 -6.297 1.00 0.00 H new TER 1544 GLY A 97