USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 665 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 21 THR OG1 : rot 85:sc= 0.868 USER MOD Set 1.2: A 70 THR OG1 : rot -140:sc= -0.72 USER MOD Single : A 6 SER OG : rot -150:sc= -0.22 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.593 K(o=-0.59,f=-4.2!) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 THR OG1 : rot -19:sc= 0.21 USER MOD Single : A 19 SER OG : rot -93:sc= 0.96 USER MOD Single : A 20 MET CE :methyl -129:sc= 0 (180deg=-0.131) USER MOD Single : A 24 TYR OH : rot 180:sc=-0.00446 USER MOD Single : A 30 MET CE :methyl 135:sc= -2.3 (180deg=-5.43!) USER MOD Single : A 41 GLN : amide:sc= 0.0992 X(o=0.099,f=0) USER MOD Single : A 43 ASN : amide:sc= 1.02 K(o=1,f=-0.97) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -2.03 K(o=-2,f=-6.3!) USER MOD Single : A 47 GLN : amide:sc= -5.52! K(o=-5.5!,f=-0.95) USER MOD Single : A 49 SER OG : rot -168:sc= -0.731 USER MOD Single : A 51 CYS SG : rot 170:sc= -0.956 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -1.12 X(o=-1.1,f=-1.6!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 39:sc= 0.0943 USER MOD Single : A 66 SER OG : rot 180:sc= -0.222 USER MOD Single : A 68 SER OG : rot -22:sc= 1.33 USER MOD Single : A 75 SER OG : rot -64:sc= 0.734 USER MOD Single : A 77 GLN : amide:sc= -0.781 K(o=-0.78,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 164:sc= 1.22 (180deg=1.14) USER MOD Single : A 80 LYS NZ :NH3+ 154:sc= 1.21 (180deg=-0.394) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -172:sc=-0.00384 (180deg=-0.108) USER MOD Single : A 88 SER OG : rot 95:sc= 1.35 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 5 17.354 3.430 6.179 1.00 0.00 N ATOM 2 CA ILE A 5 16.024 4.020 6.212 1.00 0.00 C ATOM 3 C ILE A 5 15.746 4.763 4.916 1.00 0.00 C ATOM 4 O ILE A 5 16.668 5.307 4.304 1.00 0.00 O ATOM 5 CB ILE A 5 15.841 4.987 7.405 1.00 0.00 C ATOM 6 CG1 ILE A 5 16.948 6.047 7.424 1.00 0.00 C ATOM 7 CG2 ILE A 5 15.809 4.216 8.716 1.00 0.00 C ATOM 8 CD1 ILE A 5 16.794 7.068 8.531 1.00 0.00 C ATOM 0 HA ILE A 5 15.316 3.200 6.332 1.00 0.00 H new ATOM 0 HB ILE A 5 14.887 5.500 7.285 1.00 0.00 H new ATOM 0 HG12 ILE A 5 17.912 5.551 7.531 1.00 0.00 H new ATOM 0 HG13 ILE A 5 16.961 6.564 6.464 1.00 0.00 H new ATOM 0 HG21 ILE A 5 15.680 4.912 9.545 1.00 0.00 H new ATOM 0 HG22 ILE A 5 14.979 3.510 8.703 1.00 0.00 H new ATOM 0 HG23 ILE A 5 16.746 3.673 8.842 1.00 0.00 H new ATOM 0 HD11 ILE A 5 17.613 7.785 8.481 1.00 0.00 H new ATOM 0 HD12 ILE A 5 15.845 7.592 8.413 1.00 0.00 H new ATOM 0 HD13 ILE A 5 16.812 6.563 9.497 1.00 0.00 H new ATOM 20 N SER A 6 14.475 4.773 4.507 1.00 0.00 N ATOM 21 CA SER A 6 14.044 5.417 3.263 1.00 0.00 C ATOM 22 C SER A 6 14.523 4.613 2.049 1.00 0.00 C ATOM 23 O SER A 6 15.666 4.155 2.008 1.00 0.00 O ATOM 24 CB SER A 6 14.544 6.867 3.208 1.00 0.00 C ATOM 25 OG SER A 6 14.084 7.539 2.051 1.00 0.00 O ATOM 0 H SER A 6 13.716 4.335 5.028 1.00 0.00 H new ATOM 0 HA SER A 6 12.955 5.439 3.238 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.207 7.401 4.096 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.634 6.876 3.224 1.00 0.00 H new ATOM 0 HG SER A 6 14.738 8.219 1.786 1.00 0.00 H new ATOM 31 N SER A 7 13.623 4.430 1.074 1.00 0.00 N ATOM 32 CA SER A 7 13.875 3.596 -0.106 1.00 0.00 C ATOM 33 C SER A 7 13.909 2.114 0.276 1.00 0.00 C ATOM 34 O SER A 7 13.073 1.335 -0.180 1.00 0.00 O ATOM 35 CB SER A 7 15.177 4.005 -0.810 1.00 0.00 C ATOM 36 OG SER A 7 15.145 5.375 -1.189 1.00 0.00 O ATOM 0 H SER A 7 12.697 4.858 1.082 1.00 0.00 H new ATOM 0 HA SER A 7 13.054 3.753 -0.806 1.00 0.00 H new ATOM 0 HB2 SER A 7 16.024 3.827 -0.147 1.00 0.00 H new ATOM 0 HB3 SER A 7 15.328 3.384 -1.693 1.00 0.00 H new ATOM 0 HG SER A 7 15.986 5.611 -1.634 1.00 0.00 H new ATOM 42 N GLN A 8 14.849 1.749 1.142 1.00 0.00 N ATOM 43 CA GLN A 8 15.036 0.365 1.577 1.00 0.00 C ATOM 44 C GLN A 8 15.299 -0.570 0.394 1.00 0.00 C ATOM 45 O GLN A 8 15.662 -0.124 -0.699 1.00 0.00 O ATOM 46 CB GLN A 8 13.816 -0.108 2.377 1.00 0.00 C ATOM 47 CG GLN A 8 13.702 0.518 3.756 1.00 0.00 C ATOM 48 CD GLN A 8 14.698 -0.052 4.746 1.00 0.00 C ATOM 49 OE1 GLN A 8 15.791 -0.481 4.377 1.00 0.00 O ATOM 50 NE2 GLN A 8 14.324 -0.052 6.013 1.00 0.00 N ATOM 0 H GLN A 8 15.506 2.405 1.564 1.00 0.00 H new ATOM 0 HA GLN A 8 15.916 0.334 2.219 1.00 0.00 H new ATOM 0 HB2 GLN A 8 12.913 0.118 1.811 1.00 0.00 H new ATOM 0 HB3 GLN A 8 13.862 -1.192 2.484 1.00 0.00 H new ATOM 0 HG2 GLN A 8 13.854 1.594 3.675 1.00 0.00 H new ATOM 0 HG3 GLN A 8 12.692 0.366 4.136 1.00 0.00 H new ATOM 0 HE21 GLN A 8 13.408 0.314 6.274 1.00 0.00 H new ATOM 0 HE22 GLN A 8 14.951 -0.418 6.730 1.00 0.00 H new ATOM 59 N LEU A 9 15.106 -1.862 0.640 1.00 0.00 N ATOM 60 CA LEU A 9 15.382 -2.917 -0.328 1.00 0.00 C ATOM 61 C LEU A 9 15.241 -4.264 0.370 1.00 0.00 C ATOM 62 O LEU A 9 14.267 -4.982 0.166 1.00 0.00 O ATOM 63 CB LEU A 9 16.793 -2.783 -0.922 1.00 0.00 C ATOM 64 CG LEU A 9 16.959 -3.321 -2.351 1.00 0.00 C ATOM 65 CD1 LEU A 9 18.309 -2.914 -2.918 1.00 0.00 C ATOM 66 CD2 LEU A 9 16.808 -4.835 -2.390 1.00 0.00 C ATOM 0 H LEU A 9 14.749 -2.210 1.530 1.00 0.00 H new ATOM 0 HA LEU A 9 14.671 -2.835 -1.150 1.00 0.00 H new ATOM 0 HB2 LEU A 9 17.074 -1.730 -0.913 1.00 0.00 H new ATOM 0 HB3 LEU A 9 17.494 -3.306 -0.271 1.00 0.00 H new ATOM 0 HG LEU A 9 16.171 -2.885 -2.966 1.00 0.00 H new ATOM 0 HD11 LEU A 9 18.410 -3.303 -3.931 1.00 0.00 H new ATOM 0 HD12 LEU A 9 18.382 -1.827 -2.938 1.00 0.00 H new ATOM 0 HD13 LEU A 9 19.104 -3.320 -2.292 1.00 0.00 H new ATOM 0 HD21 LEU A 9 16.931 -5.187 -3.414 1.00 0.00 H new ATOM 0 HD22 LEU A 9 17.567 -5.293 -1.756 1.00 0.00 H new ATOM 0 HD23 LEU A 9 15.818 -5.111 -2.028 1.00 0.00 H new ATOM 78 N GLY A 10 16.198 -4.583 1.226 1.00 0.00 N ATOM 79 CA GLY A 10 16.177 -5.859 1.912 1.00 0.00 C ATOM 80 C GLY A 10 17.289 -6.784 1.457 1.00 0.00 C ATOM 81 O GLY A 10 17.315 -7.213 0.301 1.00 0.00 O ATOM 0 H GLY A 10 16.989 -3.983 1.459 1.00 0.00 H new ATOM 0 HA2 GLY A 10 16.265 -5.692 2.985 1.00 0.00 H new ATOM 0 HA3 GLY A 10 15.215 -6.343 1.743 1.00 0.00 H new ATOM 85 N PRO A 11 18.237 -7.103 2.353 1.00 0.00 N ATOM 86 CA PRO A 11 19.335 -8.026 2.051 1.00 0.00 C ATOM 87 C PRO A 11 18.893 -9.486 2.109 1.00 0.00 C ATOM 88 O PRO A 11 19.657 -10.399 1.796 1.00 0.00 O ATOM 89 CB PRO A 11 20.350 -7.725 3.151 1.00 0.00 C ATOM 90 CG PRO A 11 19.532 -7.263 4.308 1.00 0.00 C ATOM 91 CD PRO A 11 18.328 -6.567 3.727 1.00 0.00 C ATOM 0 HA PRO A 11 19.726 -7.891 1.043 1.00 0.00 H new ATOM 0 HB2 PRO A 11 20.931 -8.611 3.406 1.00 0.00 H new ATOM 0 HB3 PRO A 11 21.059 -6.959 2.836 1.00 0.00 H new ATOM 0 HG2 PRO A 11 19.231 -8.105 4.931 1.00 0.00 H new ATOM 0 HG3 PRO A 11 20.104 -6.585 4.942 1.00 0.00 H new ATOM 0 HD2 PRO A 11 17.426 -6.782 4.301 1.00 0.00 H new ATOM 0 HD3 PRO A 11 18.454 -5.484 3.726 1.00 0.00 H new ATOM 99 N ILE A 12 17.653 -9.699 2.515 1.00 0.00 N ATOM 100 CA ILE A 12 17.095 -11.035 2.610 1.00 0.00 C ATOM 101 C ILE A 12 16.260 -11.312 1.364 1.00 0.00 C ATOM 102 O ILE A 12 15.310 -10.590 1.079 1.00 0.00 O ATOM 103 CB ILE A 12 16.231 -11.179 3.878 1.00 0.00 C ATOM 104 CG1 ILE A 12 16.887 -10.436 5.047 1.00 0.00 C ATOM 105 CG2 ILE A 12 16.048 -12.648 4.223 1.00 0.00 C ATOM 106 CD1 ILE A 12 16.028 -10.372 6.289 1.00 0.00 C ATOM 0 H ILE A 12 17.009 -8.956 2.786 1.00 0.00 H new ATOM 0 HA ILE A 12 17.907 -11.759 2.677 1.00 0.00 H new ATOM 0 HB ILE A 12 15.251 -10.741 3.690 1.00 0.00 H new ATOM 0 HG12 ILE A 12 17.829 -10.925 5.293 1.00 0.00 H new ATOM 0 HG13 ILE A 12 17.128 -9.421 4.731 1.00 0.00 H new ATOM 0 HG21 ILE A 12 15.436 -12.737 5.121 1.00 0.00 H new ATOM 0 HG22 ILE A 12 15.555 -13.157 3.395 1.00 0.00 H new ATOM 0 HG23 ILE A 12 17.022 -13.104 4.401 1.00 0.00 H new ATOM 0 HD11 ILE A 12 16.560 -9.831 7.072 1.00 0.00 H new ATOM 0 HD12 ILE A 12 15.096 -9.855 6.060 1.00 0.00 H new ATOM 0 HD13 ILE A 12 15.808 -11.383 6.632 1.00 0.00 H new ATOM 118 N HIS A 13 16.620 -12.356 0.630 1.00 0.00 N ATOM 119 CA HIS A 13 16.103 -12.566 -0.725 1.00 0.00 C ATOM 120 C HIS A 13 14.714 -13.236 -0.836 1.00 0.00 C ATOM 121 O HIS A 13 14.062 -13.026 -1.860 1.00 0.00 O ATOM 122 CB HIS A 13 17.115 -13.347 -1.557 1.00 0.00 C ATOM 123 CG HIS A 13 18.109 -12.466 -2.246 1.00 0.00 C ATOM 124 ND1 HIS A 13 19.380 -12.231 -1.768 1.00 0.00 N ATOM 125 CD2 HIS A 13 18.003 -11.753 -3.390 1.00 0.00 C ATOM 126 CE1 HIS A 13 20.011 -11.410 -2.587 1.00 0.00 C ATOM 127 NE2 HIS A 13 19.197 -11.108 -3.578 1.00 0.00 N ATOM 0 H HIS A 13 17.270 -13.075 0.947 1.00 0.00 H new ATOM 0 HA HIS A 13 15.955 -11.558 -1.111 1.00 0.00 H new ATOM 0 HB2 HIS A 13 17.645 -14.047 -0.911 1.00 0.00 H new ATOM 0 HB3 HIS A 13 16.584 -13.939 -2.302 1.00 0.00 H new ATOM 0 HD2 HIS A 13 17.138 -11.702 -4.035 1.00 0.00 H new ATOM 0 HE1 HIS A 13 21.021 -11.048 -2.465 1.00 0.00 H new ATOM 0 HE2 HIS A 13 19.420 -10.492 -4.360 1.00 0.00 H new ATOM 136 N PRO A 14 14.252 -14.072 0.143 1.00 0.00 N ATOM 137 CA PRO A 14 12.916 -14.689 0.123 1.00 0.00 C ATOM 138 C PRO A 14 11.844 -13.835 -0.559 1.00 0.00 C ATOM 139 O PRO A 14 11.701 -12.650 -0.242 1.00 0.00 O ATOM 140 CB PRO A 14 12.589 -14.824 1.610 1.00 0.00 C ATOM 141 CG PRO A 14 13.899 -14.848 2.326 1.00 0.00 C ATOM 142 CD PRO A 14 14.985 -14.537 1.325 1.00 0.00 C ATOM 0 HA PRO A 14 12.923 -15.620 -0.444 1.00 0.00 H new ATOM 0 HB2 PRO A 14 11.975 -13.990 1.950 1.00 0.00 H new ATOM 0 HB3 PRO A 14 12.024 -15.736 1.803 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.905 -14.116 3.134 1.00 0.00 H new ATOM 0 HG3 PRO A 14 14.067 -15.825 2.779 1.00 0.00 H new ATOM 0 HD2 PRO A 14 15.666 -13.773 1.699 1.00 0.00 H new ATOM 0 HD3 PRO A 14 15.586 -15.418 1.101 1.00 0.00 H new ATOM 150 N PRO A 15 11.080 -14.454 -1.496 1.00 0.00 N ATOM 151 CA PRO A 15 10.020 -13.809 -2.281 1.00 0.00 C ATOM 152 C PRO A 15 9.288 -12.734 -1.495 1.00 0.00 C ATOM 153 O PRO A 15 8.719 -13.033 -0.455 1.00 0.00 O ATOM 154 CB PRO A 15 9.070 -14.968 -2.625 1.00 0.00 C ATOM 155 CG PRO A 15 9.759 -16.226 -2.183 1.00 0.00 C ATOM 156 CD PRO A 15 11.184 -15.863 -1.867 1.00 0.00 C ATOM 0 HA PRO A 15 10.419 -13.296 -3.156 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.113 -14.850 -2.116 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.861 -14.995 -3.694 1.00 0.00 H new ATOM 0 HG2 PRO A 15 9.266 -16.648 -1.307 1.00 0.00 H new ATOM 0 HG3 PRO A 15 9.719 -16.983 -2.967 1.00 0.00 H new ATOM 0 HD2 PRO A 15 11.585 -16.468 -1.054 1.00 0.00 H new ATOM 0 HD3 PRO A 15 11.839 -16.009 -2.726 1.00 0.00 H new ATOM 164 N PRO A 16 9.208 -11.515 -2.079 1.00 0.00 N ATOM 165 CA PRO A 16 8.998 -10.211 -1.417 1.00 0.00 C ATOM 166 C PRO A 16 8.402 -10.220 -0.007 1.00 0.00 C ATOM 167 O PRO A 16 7.438 -9.506 0.268 1.00 0.00 O ATOM 168 CB PRO A 16 8.058 -9.497 -2.399 1.00 0.00 C ATOM 169 CG PRO A 16 8.027 -10.350 -3.626 1.00 0.00 C ATOM 170 CD PRO A 16 9.197 -11.286 -3.517 1.00 0.00 C ATOM 0 HA PRO A 16 9.961 -9.736 -1.230 1.00 0.00 H new ATOM 0 HB2 PRO A 16 7.060 -9.386 -1.975 1.00 0.00 H new ATOM 0 HB3 PRO A 16 8.420 -8.495 -2.628 1.00 0.00 H new ATOM 0 HG2 PRO A 16 7.090 -10.904 -3.691 1.00 0.00 H new ATOM 0 HG3 PRO A 16 8.100 -9.740 -4.526 1.00 0.00 H new ATOM 0 HD2 PRO A 16 9.049 -12.205 -4.084 1.00 0.00 H new ATOM 0 HD3 PRO A 16 10.124 -10.837 -3.874 1.00 0.00 H new ATOM 178 N ARG A 17 9.009 -10.975 0.894 1.00 0.00 N ATOM 179 CA ARG A 17 8.628 -10.952 2.293 1.00 0.00 C ATOM 180 C ARG A 17 9.590 -10.065 3.049 1.00 0.00 C ATOM 181 O ARG A 17 9.423 -9.808 4.240 1.00 0.00 O ATOM 182 CB ARG A 17 8.640 -12.358 2.895 1.00 0.00 C ATOM 183 CG ARG A 17 7.549 -13.271 2.363 1.00 0.00 C ATOM 184 CD ARG A 17 7.581 -14.625 3.047 1.00 0.00 C ATOM 185 NE ARG A 17 7.372 -14.512 4.491 1.00 0.00 N ATOM 186 CZ ARG A 17 7.775 -15.419 5.377 1.00 0.00 C ATOM 187 NH1 ARG A 17 8.421 -16.507 4.971 1.00 0.00 N ATOM 188 NH2 ARG A 17 7.521 -15.242 6.670 1.00 0.00 N ATOM 0 H ARG A 17 9.773 -11.615 0.677 1.00 0.00 H new ATOM 0 HA ARG A 17 7.613 -10.562 2.372 1.00 0.00 H new ATOM 0 HB2 ARG A 17 9.609 -12.817 2.700 1.00 0.00 H new ATOM 0 HB3 ARG A 17 8.537 -12.279 3.977 1.00 0.00 H new ATOM 0 HG2 ARG A 17 6.575 -12.806 2.518 1.00 0.00 H new ATOM 0 HG3 ARG A 17 7.673 -13.401 1.288 1.00 0.00 H new ATOM 0 HD2 ARG A 17 6.811 -15.267 2.618 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.540 -15.106 2.856 1.00 0.00 H new ATOM 0 HE ARG A 17 6.887 -13.686 4.840 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.609 -16.648 3.978 1.00 0.00 H new ATOM 0 HH12 ARG A 17 8.729 -17.201 5.652 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.018 -14.411 6.982 1.00 0.00 H new ATOM 0 HH22 ARG A 17 7.829 -15.937 7.350 1.00 0.00 H new ATOM 202 N THR A 18 10.595 -9.591 2.326 1.00 0.00 N ATOM 203 CA THR A 18 11.630 -8.741 2.889 1.00 0.00 C ATOM 204 C THR A 18 12.629 -8.328 1.806 1.00 0.00 C ATOM 205 O THR A 18 13.420 -7.407 2.004 1.00 0.00 O ATOM 206 CB THR A 18 12.373 -9.449 4.048 1.00 0.00 C ATOM 207 OG1 THR A 18 13.420 -8.616 4.561 1.00 0.00 O ATOM 208 CG2 THR A 18 12.948 -10.784 3.597 1.00 0.00 C ATOM 0 H THR A 18 10.714 -9.786 1.332 1.00 0.00 H new ATOM 0 HA THR A 18 11.145 -7.850 3.289 1.00 0.00 H new ATOM 0 HB THR A 18 11.648 -9.635 4.840 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.645 -7.929 3.900 1.00 0.00 H new ATOM 0 HG21 THR A 18 13.464 -11.258 4.432 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.140 -11.431 3.255 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.652 -10.620 2.781 1.00 0.00 H new ATOM 216 N SER A 19 12.570 -9.004 0.658 1.00 0.00 N ATOM 217 CA SER A 19 13.471 -8.725 -0.457 1.00 0.00 C ATOM 218 C SER A 19 13.028 -7.498 -1.242 1.00 0.00 C ATOM 219 O SER A 19 13.827 -6.871 -1.934 1.00 0.00 O ATOM 220 CB SER A 19 13.520 -9.934 -1.384 1.00 0.00 C ATOM 221 OG SER A 19 12.213 -10.426 -1.627 1.00 0.00 O ATOM 0 H SER A 19 11.902 -9.753 0.477 1.00 0.00 H new ATOM 0 HA SER A 19 14.462 -8.523 -0.049 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.992 -9.658 -2.327 1.00 0.00 H new ATOM 0 HB3 SER A 19 14.133 -10.717 -0.938 1.00 0.00 H new ATOM 0 HG SER A 19 12.003 -11.130 -0.979 1.00 0.00 H new ATOM 227 N MET A 20 11.747 -7.171 -1.152 1.00 0.00 N ATOM 228 CA MET A 20 11.235 -5.969 -1.783 1.00 0.00 C ATOM 229 C MET A 20 10.693 -5.039 -0.726 1.00 0.00 C ATOM 230 O MET A 20 9.545 -4.610 -0.799 1.00 0.00 O ATOM 231 CB MET A 20 10.124 -6.267 -2.797 1.00 0.00 C ATOM 232 CG MET A 20 10.448 -7.381 -3.764 1.00 0.00 C ATOM 233 SD MET A 20 9.604 -7.197 -5.347 1.00 0.00 S ATOM 234 CE MET A 20 10.252 -8.608 -6.241 1.00 0.00 C ATOM 0 H MET A 20 11.048 -7.719 -0.650 1.00 0.00 H new ATOM 0 HA MET A 20 12.064 -5.508 -2.321 1.00 0.00 H new ATOM 0 HB2 MET A 20 9.214 -6.525 -2.256 1.00 0.00 H new ATOM 0 HB3 MET A 20 9.912 -5.360 -3.363 1.00 0.00 H new ATOM 0 HG2 MET A 20 11.525 -7.409 -3.932 1.00 0.00 H new ATOM 0 HG3 MET A 20 10.170 -8.336 -3.318 1.00 0.00 H new ATOM 0 HE1 MET A 20 10.634 -8.282 -7.208 1.00 0.00 H new ATOM 0 HE2 MET A 20 11.059 -9.063 -5.667 1.00 0.00 H new ATOM 0 HE3 MET A 20 9.458 -9.339 -6.393 1.00 0.00 H new ATOM 244 N THR A 21 11.504 -4.747 0.274 1.00 0.00 N ATOM 245 CA THR A 21 11.099 -3.802 1.285 1.00 0.00 C ATOM 246 C THR A 21 11.286 -2.406 0.731 1.00 0.00 C ATOM 247 O THR A 21 12.405 -1.968 0.509 1.00 0.00 O ATOM 248 CB THR A 21 11.928 -3.961 2.576 1.00 0.00 C ATOM 249 OG1 THR A 21 11.838 -5.313 3.050 1.00 0.00 O ATOM 250 CG2 THR A 21 11.446 -2.997 3.659 1.00 0.00 C ATOM 0 H THR A 21 12.433 -5.147 0.403 1.00 0.00 H new ATOM 0 HA THR A 21 10.055 -3.984 1.540 1.00 0.00 H new ATOM 0 HB THR A 21 12.967 -3.725 2.347 1.00 0.00 H new ATOM 0 HG1 THR A 21 12.502 -5.867 2.588 1.00 0.00 H new ATOM 0 HG21 THR A 21 12.047 -3.130 4.558 1.00 0.00 H new ATOM 0 HG22 THR A 21 11.546 -1.971 3.304 1.00 0.00 H new ATOM 0 HG23 THR A 21 10.400 -3.201 3.888 1.00 0.00 H new ATOM 258 N GLU A 22 10.187 -1.722 0.514 1.00 0.00 N ATOM 259 CA GLU A 22 10.224 -0.398 -0.068 1.00 0.00 C ATOM 260 C GLU A 22 9.811 0.610 0.978 1.00 0.00 C ATOM 261 O GLU A 22 8.703 0.533 1.502 1.00 0.00 O ATOM 262 CB GLU A 22 9.258 -0.329 -1.252 1.00 0.00 C ATOM 263 CG GLU A 22 9.442 0.888 -2.146 1.00 0.00 C ATOM 264 CD GLU A 22 10.416 0.628 -3.277 1.00 0.00 C ATOM 265 OE1 GLU A 22 10.215 -0.360 -4.021 1.00 0.00 O ATOM 266 OE2 GLU A 22 11.367 1.414 -3.450 1.00 0.00 O ATOM 0 H GLU A 22 9.250 -2.062 0.733 1.00 0.00 H new ATOM 0 HA GLU A 22 11.233 -0.178 -0.416 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.378 -1.229 -1.855 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.236 -0.334 -0.872 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.477 1.181 -2.560 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.799 1.726 -1.547 1.00 0.00 H new ATOM 273 N GLU A 23 10.687 1.531 1.312 1.00 0.00 N ATOM 274 CA GLU A 23 10.296 2.595 2.206 1.00 0.00 C ATOM 275 C GLU A 23 9.957 3.813 1.373 1.00 0.00 C ATOM 276 O GLU A 23 10.839 4.517 0.876 1.00 0.00 O ATOM 277 CB GLU A 23 11.404 2.902 3.212 1.00 0.00 C ATOM 278 CG GLU A 23 10.950 3.752 4.386 1.00 0.00 C ATOM 279 CD GLU A 23 9.998 3.019 5.311 1.00 0.00 C ATOM 280 OE1 GLU A 23 10.057 1.772 5.369 1.00 0.00 O ATOM 281 OE2 GLU A 23 9.197 3.688 5.994 1.00 0.00 O ATOM 0 H GLU A 23 11.653 1.566 0.987 1.00 0.00 H new ATOM 0 HA GLU A 23 9.423 2.292 2.784 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.808 1.963 3.590 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.217 3.415 2.698 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.823 4.075 4.953 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.463 4.652 4.010 1.00 0.00 H new ATOM 288 N TYR A 24 8.674 4.056 1.232 1.00 0.00 N ATOM 289 CA TYR A 24 8.193 5.033 0.288 1.00 0.00 C ATOM 290 C TYR A 24 8.049 6.396 0.940 1.00 0.00 C ATOM 291 O TYR A 24 7.427 6.531 1.996 1.00 0.00 O ATOM 292 CB TYR A 24 6.855 4.577 -0.297 1.00 0.00 C ATOM 293 CG TYR A 24 6.802 4.711 -1.797 1.00 0.00 C ATOM 294 CD1 TYR A 24 6.957 5.945 -2.402 1.00 0.00 C ATOM 295 CD2 TYR A 24 6.614 3.600 -2.609 1.00 0.00 C ATOM 296 CE1 TYR A 24 6.931 6.077 -3.773 1.00 0.00 C ATOM 297 CE2 TYR A 24 6.583 3.723 -3.986 1.00 0.00 C ATOM 298 CZ TYR A 24 6.742 4.963 -4.561 1.00 0.00 C ATOM 299 OH TYR A 24 6.718 5.091 -5.931 1.00 0.00 O ATOM 0 H TYR A 24 7.942 3.586 1.764 1.00 0.00 H new ATOM 0 HA TYR A 24 8.922 5.122 -0.517 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.678 3.537 -0.022 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.050 5.165 0.145 1.00 0.00 H new ATOM 0 HD1 TYR A 24 7.101 6.822 -1.788 1.00 0.00 H new ATOM 0 HD2 TYR A 24 6.490 2.626 -2.159 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.058 7.048 -4.228 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.435 2.851 -4.606 1.00 0.00 H new ATOM 0 HH TYR A 24 6.576 4.211 -6.339 1.00 0.00 H new ATOM 309 N ARG A 25 8.646 7.397 0.310 1.00 0.00 N ATOM 310 CA ARG A 25 8.539 8.764 0.781 1.00 0.00 C ATOM 311 C ARG A 25 7.304 9.419 0.195 1.00 0.00 C ATOM 312 O ARG A 25 7.231 9.678 -1.006 1.00 0.00 O ATOM 313 CB ARG A 25 9.782 9.565 0.410 1.00 0.00 C ATOM 314 CG ARG A 25 11.035 9.104 1.127 1.00 0.00 C ATOM 315 CD ARG A 25 12.213 10.007 0.813 1.00 0.00 C ATOM 316 NE ARG A 25 11.984 11.380 1.265 1.00 0.00 N ATOM 317 CZ ARG A 25 12.935 12.159 1.780 1.00 0.00 C ATOM 318 NH1 ARG A 25 14.178 11.709 1.891 1.00 0.00 N ATOM 319 NH2 ARG A 25 12.636 13.382 2.194 1.00 0.00 N ATOM 0 H ARG A 25 9.211 7.284 -0.532 1.00 0.00 H new ATOM 0 HA ARG A 25 8.454 8.747 1.868 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.942 9.495 -0.666 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.608 10.617 0.638 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.858 9.094 2.203 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.270 8.081 0.833 1.00 0.00 H new ATOM 0 HD2 ARG A 25 13.110 9.613 1.290 1.00 0.00 H new ATOM 0 HD3 ARG A 25 12.396 10.004 -0.261 1.00 0.00 H new ATOM 0 HE ARG A 25 11.042 11.763 1.181 1.00 0.00 H new ATOM 0 HH11 ARG A 25 14.408 10.765 1.582 1.00 0.00 H new ATOM 0 HH12 ARG A 25 14.904 12.307 2.285 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.679 13.726 2.118 1.00 0.00 H new ATOM 0 HH22 ARG A 25 13.363 13.979 2.588 1.00 0.00 H new ATOM 333 N VAL A 26 6.333 9.662 1.047 1.00 0.00 N ATOM 334 CA VAL A 26 5.071 10.235 0.629 1.00 0.00 C ATOM 335 C VAL A 26 4.770 11.486 1.445 1.00 0.00 C ATOM 336 O VAL A 26 4.826 11.463 2.669 1.00 0.00 O ATOM 337 CB VAL A 26 3.931 9.193 0.762 1.00 0.00 C ATOM 338 CG1 VAL A 26 4.089 8.373 2.029 1.00 0.00 C ATOM 339 CG2 VAL A 26 2.563 9.854 0.730 1.00 0.00 C ATOM 0 H VAL A 26 6.395 9.469 2.047 1.00 0.00 H new ATOM 0 HA VAL A 26 5.142 10.520 -0.421 1.00 0.00 H new ATOM 0 HB VAL A 26 4.003 8.525 -0.096 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.276 7.650 2.098 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.043 7.846 2.005 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.061 9.033 2.896 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.789 9.093 0.826 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.481 10.561 1.556 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.437 10.383 -0.214 1.00 0.00 H new ATOM 349 N PRO A 27 4.469 12.610 0.772 1.00 0.00 N ATOM 350 CA PRO A 27 4.214 13.887 1.442 1.00 0.00 C ATOM 351 C PRO A 27 3.070 13.787 2.442 1.00 0.00 C ATOM 352 O PRO A 27 2.140 13.006 2.242 1.00 0.00 O ATOM 353 CB PRO A 27 3.846 14.838 0.301 1.00 0.00 C ATOM 354 CG PRO A 27 4.411 14.205 -0.922 1.00 0.00 C ATOM 355 CD PRO A 27 4.346 12.722 -0.688 1.00 0.00 C ATOM 0 HA PRO A 27 5.077 14.221 2.019 1.00 0.00 H new ATOM 0 HB2 PRO A 27 2.766 14.959 0.220 1.00 0.00 H new ATOM 0 HB3 PRO A 27 4.267 15.830 0.463 1.00 0.00 H new ATOM 0 HG2 PRO A 27 3.839 14.486 -1.806 1.00 0.00 H new ATOM 0 HG3 PRO A 27 5.438 14.529 -1.090 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.408 12.298 -1.047 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.151 12.197 -1.202 1.00 0.00 H new ATOM 363 N ASP A 28 3.143 14.558 3.513 1.00 0.00 N ATOM 364 CA ASP A 28 2.210 14.418 4.632 1.00 0.00 C ATOM 365 C ASP A 28 0.741 14.476 4.178 1.00 0.00 C ATOM 366 O ASP A 28 -0.053 13.581 4.486 1.00 0.00 O ATOM 367 CB ASP A 28 2.497 15.493 5.678 1.00 0.00 C ATOM 368 CG ASP A 28 1.717 15.274 6.956 1.00 0.00 C ATOM 369 OD1 ASP A 28 2.184 14.496 7.814 1.00 0.00 O ATOM 370 OD2 ASP A 28 0.634 15.872 7.108 1.00 0.00 O ATOM 0 H ASP A 28 3.840 15.292 3.637 1.00 0.00 H new ATOM 0 HA ASP A 28 2.362 13.433 5.073 1.00 0.00 H new ATOM 0 HB2 ASP A 28 3.563 15.502 5.903 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.249 16.472 5.267 1.00 0.00 H new ATOM 375 N GLY A 29 0.384 15.495 3.413 1.00 0.00 N ATOM 376 CA GLY A 29 -0.984 15.603 2.930 1.00 0.00 C ATOM 377 C GLY A 29 -1.309 14.548 1.886 1.00 0.00 C ATOM 378 O GLY A 29 -2.474 14.221 1.644 1.00 0.00 O ATOM 0 H GLY A 29 1.008 16.246 3.117 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.673 15.505 3.769 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.140 16.594 2.503 1.00 0.00 H new ATOM 382 N MET A 30 -0.272 13.991 1.286 1.00 0.00 N ATOM 383 CA MET A 30 -0.439 13.024 0.217 1.00 0.00 C ATOM 384 C MET A 30 -0.771 11.652 0.790 1.00 0.00 C ATOM 385 O MET A 30 -1.446 10.853 0.145 1.00 0.00 O ATOM 386 CB MET A 30 0.828 12.959 -0.632 1.00 0.00 C ATOM 387 CG MET A 30 0.579 12.644 -2.100 1.00 0.00 C ATOM 388 SD MET A 30 -0.618 13.759 -2.862 1.00 0.00 S ATOM 389 CE MET A 30 0.055 15.359 -2.415 1.00 0.00 C ATOM 0 H MET A 30 0.699 14.194 1.523 1.00 0.00 H new ATOM 0 HA MET A 30 -1.268 13.339 -0.417 1.00 0.00 H new ATOM 0 HB2 MET A 30 1.350 13.913 -0.560 1.00 0.00 H new ATOM 0 HB3 MET A 30 1.492 12.201 -0.217 1.00 0.00 H new ATOM 0 HG2 MET A 30 1.521 12.703 -2.644 1.00 0.00 H new ATOM 0 HG3 MET A 30 0.222 11.618 -2.191 1.00 0.00 H new ATOM 0 HE1 MET A 30 0.039 16.016 -3.284 1.00 0.00 H new ATOM 0 HE2 MET A 30 -0.546 15.797 -1.618 1.00 0.00 H new ATOM 0 HE3 MET A 30 1.082 15.238 -2.071 1.00 0.00 H new ATOM 399 N VAL A 31 -0.306 11.377 2.008 1.00 0.00 N ATOM 400 CA VAL A 31 -0.698 10.150 2.690 1.00 0.00 C ATOM 401 C VAL A 31 -2.130 10.292 3.189 1.00 0.00 C ATOM 402 O VAL A 31 -2.873 9.317 3.268 1.00 0.00 O ATOM 403 CB VAL A 31 0.240 9.766 3.861 1.00 0.00 C ATOM 404 CG1 VAL A 31 0.180 10.788 4.979 1.00 0.00 C ATOM 405 CG2 VAL A 31 -0.101 8.379 4.388 1.00 0.00 C ATOM 0 H VAL A 31 0.331 11.976 2.533 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.621 9.340 1.964 1.00 0.00 H new ATOM 0 HB VAL A 31 1.260 9.753 3.477 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.850 10.487 5.784 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.486 11.762 4.598 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.839 10.851 5.360 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.569 8.127 5.210 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.131 8.368 4.743 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.015 7.647 3.588 1.00 0.00 H new ATOM 415 N GLY A 32 -2.522 11.522 3.504 1.00 0.00 N ATOM 416 CA GLY A 32 -3.920 11.790 3.770 1.00 0.00 C ATOM 417 C GLY A 32 -4.769 11.478 2.553 1.00 0.00 C ATOM 418 O GLY A 32 -5.947 11.139 2.666 1.00 0.00 O ATOM 0 H GLY A 32 -1.903 12.329 3.579 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.255 11.190 4.616 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.048 12.836 4.050 1.00 0.00 H new ATOM 422 N LEU A 33 -4.159 11.586 1.378 1.00 0.00 N ATOM 423 CA LEU A 33 -4.839 11.252 0.135 1.00 0.00 C ATOM 424 C LEU A 33 -4.715 9.768 -0.229 1.00 0.00 C ATOM 425 O LEU A 33 -5.573 9.243 -0.936 1.00 0.00 O ATOM 426 CB LEU A 33 -4.309 12.107 -1.015 1.00 0.00 C ATOM 427 CG LEU A 33 -4.577 13.607 -0.899 1.00 0.00 C ATOM 428 CD1 LEU A 33 -3.926 14.341 -2.056 1.00 0.00 C ATOM 429 CD2 LEU A 33 -6.074 13.881 -0.866 1.00 0.00 C ATOM 0 H LEU A 33 -3.196 11.902 1.262 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.896 11.463 0.296 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.233 11.953 -1.093 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.750 11.748 -1.945 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.144 13.970 0.033 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.122 15.409 -1.966 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.850 14.167 -2.038 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.337 13.975 -2.997 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.246 14.954 -0.783 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.532 13.510 -1.783 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.518 13.375 -0.008 1.00 0.00 H new ATOM 441 N ILE A 34 -3.666 9.083 0.236 1.00 0.00 N ATOM 442 CA ILE A 34 -3.504 7.657 -0.085 1.00 0.00 C ATOM 443 C ILE A 34 -4.585 6.851 0.619 1.00 0.00 C ATOM 444 O ILE A 34 -5.055 5.830 0.116 1.00 0.00 O ATOM 445 CB ILE A 34 -2.100 7.092 0.284 1.00 0.00 C ATOM 446 CG1 ILE A 34 -1.898 5.708 -0.333 1.00 0.00 C ATOM 447 CG2 ILE A 34 -1.906 7.000 1.786 1.00 0.00 C ATOM 448 CD1 ILE A 34 -1.917 5.716 -1.843 1.00 0.00 C ATOM 0 H ILE A 34 -2.931 9.478 0.822 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.599 7.566 -1.167 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.362 7.786 -0.118 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.946 5.301 0.009 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.679 5.039 0.029 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.915 6.601 2.001 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.002 7.992 2.227 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.662 6.340 2.211 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.768 4.702 -2.214 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.878 6.093 -2.193 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.119 6.359 -2.214 1.00 0.00 H new ATOM 460 N ILE A 35 -4.982 7.335 1.784 1.00 0.00 N ATOM 461 CA ILE A 35 -6.093 6.757 2.510 1.00 0.00 C ATOM 462 C ILE A 35 -7.411 7.293 1.983 1.00 0.00 C ATOM 463 O ILE A 35 -8.472 6.739 2.279 1.00 0.00 O ATOM 464 CB ILE A 35 -5.997 7.031 4.017 1.00 0.00 C ATOM 465 CG1 ILE A 35 -5.685 8.505 4.281 1.00 0.00 C ATOM 466 CG2 ILE A 35 -4.959 6.123 4.649 1.00 0.00 C ATOM 467 CD1 ILE A 35 -5.425 8.824 5.736 1.00 0.00 C ATOM 0 H ILE A 35 -4.546 8.132 2.247 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.048 5.679 2.356 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.961 6.813 4.476 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.812 8.792 3.694 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.519 9.112 3.929 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.900 6.327 5.718 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.243 5.082 4.493 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.987 6.307 4.190 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.211 9.888 5.843 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.305 8.569 6.327 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.571 8.245 6.088 1.00 0.00 H new ATOM 479 N GLY A 36 -7.321 8.381 1.213 1.00 0.00 N ATOM 480 CA GLY A 36 -8.480 8.976 0.563 1.00 0.00 C ATOM 481 C GLY A 36 -9.565 9.366 1.536 1.00 0.00 C ATOM 482 O GLY A 36 -9.596 10.486 2.042 1.00 0.00 O ATOM 0 H GLY A 36 -6.445 8.868 1.027 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.164 9.858 0.006 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.886 8.270 -0.162 1.00 0.00 H new ATOM 486 N ARG A 37 -10.438 8.416 1.809 1.00 0.00 N ATOM 487 CA ARG A 37 -11.539 8.591 2.739 1.00 0.00 C ATOM 488 C ARG A 37 -11.068 8.500 4.191 1.00 0.00 C ATOM 489 O ARG A 37 -11.741 7.916 5.039 1.00 0.00 O ATOM 490 CB ARG A 37 -12.593 7.527 2.462 1.00 0.00 C ATOM 491 CG ARG A 37 -12.003 6.146 2.210 1.00 0.00 C ATOM 492 CD ARG A 37 -13.095 5.146 1.874 1.00 0.00 C ATOM 493 NE ARG A 37 -13.810 5.523 0.655 1.00 0.00 N ATOM 494 CZ ARG A 37 -15.128 5.720 0.591 1.00 0.00 C ATOM 495 NH1 ARG A 37 -15.885 5.536 1.665 1.00 0.00 N ATOM 496 NH2 ARG A 37 -15.691 6.092 -0.555 1.00 0.00 N ATOM 0 H ARG A 37 -10.403 7.488 1.386 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.963 9.585 2.595 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -13.277 7.473 3.309 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -13.182 7.826 1.595 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -11.285 6.196 1.391 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.457 5.812 3.092 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -12.657 4.156 1.749 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -13.798 5.081 2.704 1.00 0.00 H new ATOM 0 HE ARG A 37 -13.267 5.643 -0.200 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -15.460 5.243 2.545 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -16.892 5.688 1.611 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -15.115 6.227 -1.386 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -16.699 6.242 -0.603 1.00 0.00 H new ATOM 510 N GLY A 38 -9.898 9.062 4.458 1.00 0.00 N ATOM 511 CA GLY A 38 -9.390 9.146 5.809 1.00 0.00 C ATOM 512 C GLY A 38 -8.817 7.843 6.345 1.00 0.00 C ATOM 513 O GLY A 38 -8.409 7.780 7.506 1.00 0.00 O ATOM 0 H GLY A 38 -9.285 9.466 3.750 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.616 9.912 5.846 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.195 9.473 6.467 1.00 0.00 H new ATOM 517 N GLY A 39 -8.774 6.797 5.526 1.00 0.00 N ATOM 518 CA GLY A 39 -8.149 5.567 5.977 1.00 0.00 C ATOM 519 C GLY A 39 -8.558 4.337 5.188 1.00 0.00 C ATOM 520 O GLY A 39 -7.701 3.586 4.722 1.00 0.00 O ATOM 0 H GLY A 39 -9.152 6.777 4.579 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.066 5.680 5.918 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.396 5.410 7.027 1.00 0.00 H new ATOM 524 N GLU A 40 -9.859 4.141 5.026 1.00 0.00 N ATOM 525 CA GLU A 40 -10.405 2.914 4.438 1.00 0.00 C ATOM 526 C GLU A 40 -9.807 2.581 3.066 1.00 0.00 C ATOM 527 O GLU A 40 -9.789 1.415 2.668 1.00 0.00 O ATOM 528 CB GLU A 40 -11.925 3.028 4.323 1.00 0.00 C ATOM 529 CG GLU A 40 -12.615 1.746 3.879 1.00 0.00 C ATOM 530 CD GLU A 40 -12.522 0.637 4.911 1.00 0.00 C ATOM 531 OE1 GLU A 40 -13.164 0.758 5.974 1.00 0.00 O ATOM 532 OE2 GLU A 40 -11.824 -0.366 4.659 1.00 0.00 O ATOM 0 H GLU A 40 -10.568 4.822 5.296 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.132 2.098 5.107 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.330 3.329 5.289 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.166 3.821 3.615 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.664 1.957 3.673 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.169 1.404 2.945 1.00 0.00 H new ATOM 539 N GLN A 41 -9.309 3.581 2.338 1.00 0.00 N ATOM 540 CA GLN A 41 -8.781 3.322 1.003 1.00 0.00 C ATOM 541 C GLN A 41 -7.549 2.441 1.075 1.00 0.00 C ATOM 542 O GLN A 41 -7.443 1.474 0.332 1.00 0.00 O ATOM 543 CB GLN A 41 -8.436 4.600 0.252 1.00 0.00 C ATOM 544 CG GLN A 41 -8.330 4.397 -1.249 1.00 0.00 C ATOM 545 CD GLN A 41 -8.128 5.694 -1.997 1.00 0.00 C ATOM 546 OE1 GLN A 41 -9.091 6.346 -2.402 1.00 0.00 O ATOM 547 NE2 GLN A 41 -6.880 6.086 -2.172 1.00 0.00 N ATOM 0 H GLN A 41 -9.261 4.553 2.642 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.573 2.812 0.454 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.197 5.353 0.458 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.491 4.991 0.628 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.499 3.725 -1.463 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.235 3.910 -1.611 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.112 5.515 -1.820 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.684 6.960 -2.659 1.00 0.00 H new ATOM 556 N ILE A 42 -6.613 2.763 1.971 1.00 0.00 N ATOM 557 CA ILE A 42 -5.413 1.950 2.090 1.00 0.00 C ATOM 558 C ILE A 42 -5.792 0.577 2.596 1.00 0.00 C ATOM 559 O ILE A 42 -5.272 -0.409 2.115 1.00 0.00 O ATOM 560 CB ILE A 42 -4.310 2.569 2.991 1.00 0.00 C ATOM 561 CG1 ILE A 42 -3.010 1.774 2.870 1.00 0.00 C ATOM 562 CG2 ILE A 42 -4.739 2.649 4.446 1.00 0.00 C ATOM 563 CD1 ILE A 42 -2.434 1.763 1.470 1.00 0.00 C ATOM 0 H ILE A 42 -6.664 3.559 2.606 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.976 1.891 1.093 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.143 3.587 2.640 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.272 2.194 3.554 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.191 0.747 3.187 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.936 3.088 5.038 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.632 3.269 4.529 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.957 1.647 4.817 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.513 1.180 1.460 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.153 1.316 0.784 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.220 2.785 1.156 1.00 0.00 H new ATOM 575 N ASN A 43 -6.743 0.520 3.525 1.00 0.00 N ATOM 576 CA ASN A 43 -7.242 -0.757 4.024 1.00 0.00 C ATOM 577 C ASN A 43 -7.684 -1.617 2.850 1.00 0.00 C ATOM 578 O ASN A 43 -7.392 -2.806 2.795 1.00 0.00 O ATOM 579 CB ASN A 43 -8.416 -0.548 4.978 1.00 0.00 C ATOM 580 CG ASN A 43 -8.759 -1.794 5.771 1.00 0.00 C ATOM 581 OD1 ASN A 43 -7.893 -2.614 6.081 1.00 0.00 O ATOM 582 ND2 ASN A 43 -10.028 -1.945 6.105 1.00 0.00 N ATOM 0 H ASN A 43 -7.181 1.339 3.945 1.00 0.00 H new ATOM 0 HA ASN A 43 -6.441 -1.256 4.570 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.178 0.262 5.668 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -9.290 -0.234 4.408 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.321 -2.763 6.639 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.715 -1.243 5.829 1.00 0.00 H new ATOM 589 N LYS A 44 -8.371 -0.990 1.906 1.00 0.00 N ATOM 590 CA LYS A 44 -8.764 -1.647 0.672 1.00 0.00 C ATOM 591 C LYS A 44 -7.538 -2.016 -0.163 1.00 0.00 C ATOM 592 O LYS A 44 -7.415 -3.144 -0.612 1.00 0.00 O ATOM 593 CB LYS A 44 -9.709 -0.745 -0.134 1.00 0.00 C ATOM 594 CG LYS A 44 -9.964 -1.240 -1.549 1.00 0.00 C ATOM 595 CD LYS A 44 -11.013 -0.405 -2.266 1.00 0.00 C ATOM 596 CE LYS A 44 -12.410 -0.676 -1.730 1.00 0.00 C ATOM 597 NZ LYS A 44 -13.462 -0.087 -2.600 1.00 0.00 N ATOM 0 H LYS A 44 -8.669 -0.017 1.975 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.290 -2.567 0.927 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.661 -0.668 0.392 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.288 0.259 -0.180 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.033 -1.215 -2.115 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -10.289 -2.280 -1.516 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.778 0.653 -2.150 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.984 -0.623 -3.334 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.566 -1.752 -1.650 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.499 -0.265 -0.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.399 -0.294 -2.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.329 0.943 -2.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.394 -0.497 -3.553 1.00 0.00 H new ATOM 611 N ILE A 45 -6.630 -1.061 -0.344 1.00 0.00 N ATOM 612 CA ILE A 45 -5.436 -1.250 -1.171 1.00 0.00 C ATOM 613 C ILE A 45 -4.562 -2.403 -0.679 1.00 0.00 C ATOM 614 O ILE A 45 -4.286 -3.347 -1.419 1.00 0.00 O ATOM 615 CB ILE A 45 -4.575 0.033 -1.208 1.00 0.00 C ATOM 616 CG1 ILE A 45 -5.348 1.168 -1.883 1.00 0.00 C ATOM 617 CG2 ILE A 45 -3.251 -0.223 -1.921 1.00 0.00 C ATOM 618 CD1 ILE A 45 -4.648 2.508 -1.819 1.00 0.00 C ATOM 0 H ILE A 45 -6.699 -0.134 0.077 1.00 0.00 H new ATOM 0 HA ILE A 45 -5.800 -1.487 -2.171 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.350 0.330 -0.184 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.519 0.908 -2.928 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.327 1.258 -1.413 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.662 0.694 -1.935 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.699 -1.001 -1.394 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.445 -0.545 -2.944 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.257 3.261 -2.318 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.501 2.792 -0.777 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.680 2.437 -2.315 1.00 0.00 H new ATOM 630 N GLN A 46 -4.121 -2.322 0.567 1.00 0.00 N ATOM 631 CA GLN A 46 -3.185 -3.294 1.101 1.00 0.00 C ATOM 632 C GLN A 46 -3.863 -4.639 1.366 1.00 0.00 C ATOM 633 O GLN A 46 -3.199 -5.672 1.427 1.00 0.00 O ATOM 634 CB GLN A 46 -2.467 -2.743 2.345 1.00 0.00 C ATOM 635 CG GLN A 46 -3.343 -2.002 3.338 1.00 0.00 C ATOM 636 CD GLN A 46 -2.590 -1.605 4.592 1.00 0.00 C ATOM 637 OE1 GLN A 46 -2.036 -0.515 4.674 1.00 0.00 O ATOM 638 NE2 GLN A 46 -2.561 -2.490 5.577 1.00 0.00 N ATOM 0 H GLN A 46 -4.397 -1.593 1.225 1.00 0.00 H new ATOM 0 HA GLN A 46 -2.420 -3.477 0.346 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.987 -3.574 2.862 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.674 -2.071 2.016 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -3.749 -1.109 2.864 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.190 -2.631 3.611 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -3.035 -3.387 5.471 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.065 -2.274 6.442 1.00 0.00 H new ATOM 647 N GLN A 47 -5.184 -4.629 1.502 1.00 0.00 N ATOM 648 CA GLN A 47 -5.952 -5.870 1.598 1.00 0.00 C ATOM 649 C GLN A 47 -6.126 -6.486 0.211 1.00 0.00 C ATOM 650 O GLN A 47 -6.066 -7.703 0.037 1.00 0.00 O ATOM 651 CB GLN A 47 -7.318 -5.589 2.229 1.00 0.00 C ATOM 652 CG GLN A 47 -8.216 -6.807 2.400 1.00 0.00 C ATOM 653 CD GLN A 47 -7.761 -7.766 3.493 1.00 0.00 C ATOM 654 OE1 GLN A 47 -8.584 -8.440 4.105 1.00 0.00 O ATOM 655 NE2 GLN A 47 -6.464 -7.836 3.757 1.00 0.00 N ATOM 0 H GLN A 47 -5.746 -3.779 1.548 1.00 0.00 H new ATOM 0 HA GLN A 47 -5.412 -6.576 2.228 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -7.162 -5.133 3.206 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -7.840 -4.856 1.614 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -9.228 -6.470 2.625 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -8.262 -7.347 1.454 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -5.805 -7.263 3.231 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -6.125 -8.463 4.487 1.00 0.00 H new ATOM 664 N ASP A 48 -6.342 -5.622 -0.769 1.00 0.00 N ATOM 665 CA ASP A 48 -6.496 -6.026 -2.163 1.00 0.00 C ATOM 666 C ASP A 48 -5.222 -6.671 -2.682 1.00 0.00 C ATOM 667 O ASP A 48 -5.261 -7.661 -3.413 1.00 0.00 O ATOM 668 CB ASP A 48 -6.856 -4.802 -3.012 1.00 0.00 C ATOM 669 CG ASP A 48 -6.698 -5.030 -4.503 1.00 0.00 C ATOM 670 OD1 ASP A 48 -7.633 -5.553 -5.141 1.00 0.00 O ATOM 671 OD2 ASP A 48 -5.636 -4.666 -5.048 1.00 0.00 O ATOM 0 H ASP A 48 -6.416 -4.615 -0.622 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.297 -6.762 -2.230 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.887 -4.516 -2.804 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.226 -3.964 -2.712 1.00 0.00 H new ATOM 676 N SER A 49 -4.095 -6.111 -2.284 1.00 0.00 N ATOM 677 CA SER A 49 -2.807 -6.609 -2.714 1.00 0.00 C ATOM 678 C SER A 49 -2.384 -7.828 -1.902 1.00 0.00 C ATOM 679 O SER A 49 -1.955 -8.840 -2.458 1.00 0.00 O ATOM 680 CB SER A 49 -1.759 -5.501 -2.595 1.00 0.00 C ATOM 681 OG SER A 49 -1.789 -4.907 -1.306 1.00 0.00 O ATOM 0 H SER A 49 -4.049 -5.306 -1.660 1.00 0.00 H new ATOM 0 HA SER A 49 -2.890 -6.918 -3.756 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.768 -5.911 -2.787 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.941 -4.740 -3.354 1.00 0.00 H new ATOM 0 HG SER A 49 -1.253 -4.087 -1.311 1.00 0.00 H new ATOM 687 N GLY A 50 -2.522 -7.727 -0.584 1.00 0.00 N ATOM 688 CA GLY A 50 -2.053 -8.776 0.302 1.00 0.00 C ATOM 689 C GLY A 50 -0.707 -8.424 0.896 1.00 0.00 C ATOM 690 O GLY A 50 -0.085 -9.225 1.595 1.00 0.00 O ATOM 0 H GLY A 50 -2.953 -6.932 -0.112 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.777 -8.932 1.101 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.978 -9.714 -0.248 1.00 0.00 H new ATOM 694 N CYS A 51 -0.258 -7.214 0.594 1.00 0.00 N ATOM 695 CA CYS A 51 1.016 -6.707 1.075 1.00 0.00 C ATOM 696 C CYS A 51 0.864 -6.161 2.487 1.00 0.00 C ATOM 697 O CYS A 51 -0.161 -5.568 2.825 1.00 0.00 O ATOM 698 CB CYS A 51 1.509 -5.608 0.136 1.00 0.00 C ATOM 699 SG CYS A 51 3.098 -4.879 0.589 1.00 0.00 S ATOM 0 H CYS A 51 -0.770 -6.556 0.007 1.00 0.00 H new ATOM 0 HA CYS A 51 1.743 -7.519 1.095 1.00 0.00 H new ATOM 0 HB2 CYS A 51 1.588 -6.018 -0.871 1.00 0.00 H new ATOM 0 HB3 CYS A 51 0.760 -4.817 0.100 1.00 0.00 H new ATOM 0 HG CYS A 51 3.519 -4.120 -0.379 1.00 0.00 H new ATOM 705 N LYS A 52 1.883 -6.365 3.307 1.00 0.00 N ATOM 706 CA LYS A 52 1.906 -5.816 4.651 1.00 0.00 C ATOM 707 C LYS A 52 2.329 -4.360 4.579 1.00 0.00 C ATOM 708 O LYS A 52 3.480 -4.007 4.850 1.00 0.00 O ATOM 709 CB LYS A 52 2.868 -6.606 5.530 1.00 0.00 C ATOM 710 CG LYS A 52 2.586 -8.097 5.543 1.00 0.00 C ATOM 711 CD LYS A 52 3.777 -8.875 6.060 1.00 0.00 C ATOM 712 CE LYS A 52 5.006 -8.627 5.199 1.00 0.00 C ATOM 713 NZ LYS A 52 6.175 -9.429 5.648 1.00 0.00 N ATOM 0 H LYS A 52 2.709 -6.911 3.062 1.00 0.00 H new ATOM 0 HA LYS A 52 0.912 -5.886 5.092 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.887 -6.440 5.181 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.814 -6.224 6.550 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.717 -8.300 6.168 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.339 -8.432 4.536 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.986 -8.585 7.090 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.544 -9.940 6.069 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.777 -8.871 4.162 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.261 -7.568 5.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.990 -9.229 5.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.412 -9.179 6.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.942 -10.441 5.596 1.00 0.00 H new ATOM 727 N VAL A 53 1.388 -3.537 4.170 1.00 0.00 N ATOM 728 CA VAL A 53 1.618 -2.120 3.971 1.00 0.00 C ATOM 729 C VAL A 53 1.504 -1.390 5.297 1.00 0.00 C ATOM 730 O VAL A 53 0.429 -1.296 5.882 1.00 0.00 O ATOM 731 CB VAL A 53 0.607 -1.562 2.945 1.00 0.00 C ATOM 732 CG1 VAL A 53 0.779 -0.078 2.706 1.00 0.00 C ATOM 733 CG2 VAL A 53 0.729 -2.317 1.633 1.00 0.00 C ATOM 0 H VAL A 53 0.434 -3.833 3.964 1.00 0.00 H new ATOM 0 HA VAL A 53 2.623 -1.967 3.579 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.389 -1.706 3.365 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.043 0.261 1.977 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.636 0.460 3.643 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.782 0.115 2.326 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.013 -1.917 0.915 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.739 -2.202 1.240 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.523 -3.374 1.801 1.00 0.00 H new ATOM 743 N GLN A 54 2.631 -0.907 5.785 1.00 0.00 N ATOM 744 CA GLN A 54 2.668 -0.274 7.087 1.00 0.00 C ATOM 745 C GLN A 54 2.890 1.225 6.945 1.00 0.00 C ATOM 746 O GLN A 54 3.931 1.666 6.457 1.00 0.00 O ATOM 747 CB GLN A 54 3.771 -0.887 7.953 1.00 0.00 C ATOM 748 CG GLN A 54 3.792 -2.414 7.965 1.00 0.00 C ATOM 749 CD GLN A 54 2.457 -3.050 8.334 1.00 0.00 C ATOM 750 OE1 GLN A 54 2.158 -4.169 7.914 1.00 0.00 O ATOM 751 NE2 GLN A 54 1.639 -2.355 9.109 1.00 0.00 N ATOM 0 H GLN A 54 3.528 -0.941 5.301 1.00 0.00 H new ATOM 0 HA GLN A 54 1.708 -0.442 7.574 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.736 -0.526 7.599 1.00 0.00 H new ATOM 0 HB3 GLN A 54 3.653 -0.530 8.976 1.00 0.00 H new ATOM 0 HG2 GLN A 54 4.093 -2.771 6.980 1.00 0.00 H new ATOM 0 HG3 GLN A 54 4.551 -2.751 8.671 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.914 -1.431 9.442 1.00 0.00 H new ATOM 0 HE22 GLN A 54 0.734 -2.744 9.374 1.00 0.00 H new ATOM 760 N ILE A 55 1.901 1.997 7.365 1.00 0.00 N ATOM 761 CA ILE A 55 1.981 3.449 7.296 1.00 0.00 C ATOM 762 C ILE A 55 2.608 4.008 8.574 1.00 0.00 C ATOM 763 O ILE A 55 1.968 4.011 9.626 1.00 0.00 O ATOM 764 CB ILE A 55 0.578 4.086 7.111 1.00 0.00 C ATOM 765 CG1 ILE A 55 -0.185 3.431 5.951 1.00 0.00 C ATOM 766 CG2 ILE A 55 0.703 5.582 6.878 1.00 0.00 C ATOM 767 CD1 ILE A 55 0.480 3.590 4.603 1.00 0.00 C ATOM 0 H ILE A 55 1.030 1.642 7.759 1.00 0.00 H new ATOM 0 HA ILE A 55 2.600 3.699 6.434 1.00 0.00 H new ATOM 0 HB ILE A 55 0.011 3.915 8.026 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.302 2.368 6.162 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.186 3.859 5.902 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.289 6.014 6.750 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.192 6.044 7.735 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.296 5.762 5.981 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.123 3.099 3.839 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.573 4.650 4.366 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.471 3.136 4.630 1.00 0.00 H new ATOM 779 N SER A 56 3.856 4.457 8.492 1.00 0.00 N ATOM 780 CA SER A 56 4.505 5.096 9.631 1.00 0.00 C ATOM 781 C SER A 56 4.191 6.589 9.636 1.00 0.00 C ATOM 782 O SER A 56 4.697 7.348 8.792 1.00 0.00 O ATOM 783 CB SER A 56 6.015 4.864 9.595 1.00 0.00 C ATOM 784 OG SER A 56 6.313 3.477 9.588 1.00 0.00 O ATOM 0 H SER A 56 4.435 4.391 7.655 1.00 0.00 H new ATOM 0 HA SER A 56 4.119 4.651 10.548 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.439 5.336 8.708 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.480 5.336 10.460 1.00 0.00 H new ATOM 0 HG SER A 56 7.285 3.351 9.563 1.00 0.00 H new ATOM 790 N PRO A 57 3.331 7.014 10.584 1.00 0.00 N ATOM 791 CA PRO A 57 2.811 8.381 10.659 1.00 0.00 C ATOM 792 C PRO A 57 3.828 9.384 11.188 1.00 0.00 C ATOM 793 O PRO A 57 3.896 10.516 10.710 1.00 0.00 O ATOM 794 CB PRO A 57 1.623 8.278 11.632 1.00 0.00 C ATOM 795 CG PRO A 57 1.452 6.821 11.920 1.00 0.00 C ATOM 796 CD PRO A 57 2.786 6.185 11.667 1.00 0.00 C ATOM 0 HA PRO A 57 2.543 8.746 9.668 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.819 8.836 12.547 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.719 8.697 11.190 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.134 6.663 12.951 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.685 6.385 11.280 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.420 6.206 12.553 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.688 5.141 11.369 1.00 0.00 H new ATOM 804 N ASP A 58 4.619 8.970 12.165 1.00 0.00 N ATOM 805 CA ASP A 58 5.574 9.873 12.787 1.00 0.00 C ATOM 806 C ASP A 58 6.811 10.015 11.913 1.00 0.00 C ATOM 807 O ASP A 58 7.537 9.046 11.676 1.00 0.00 O ATOM 808 CB ASP A 58 5.959 9.382 14.181 1.00 0.00 C ATOM 809 CG ASP A 58 6.917 10.326 14.878 1.00 0.00 C ATOM 810 OD1 ASP A 58 6.482 11.415 15.308 1.00 0.00 O ATOM 811 OD2 ASP A 58 8.108 9.981 15.013 1.00 0.00 O ATOM 0 H ASP A 58 4.619 8.022 12.542 1.00 0.00 H new ATOM 0 HA ASP A 58 5.104 10.851 12.890 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.059 9.269 14.786 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.416 8.396 14.103 1.00 0.00 H new ATOM 816 N SER A 59 7.031 11.224 11.430 1.00 0.00 N ATOM 817 CA SER A 59 8.136 11.510 10.536 1.00 0.00 C ATOM 818 C SER A 59 9.453 11.570 11.307 1.00 0.00 C ATOM 819 O SER A 59 9.639 12.418 12.183 1.00 0.00 O ATOM 820 CB SER A 59 7.865 12.822 9.794 1.00 0.00 C ATOM 821 OG SER A 59 7.481 13.858 10.691 1.00 0.00 O ATOM 0 H SER A 59 6.449 12.034 11.646 1.00 0.00 H new ATOM 0 HA SER A 59 8.224 10.707 9.804 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.759 13.124 9.249 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.078 12.668 9.056 1.00 0.00 H new ATOM 0 HG SER A 59 8.006 13.788 11.516 1.00 0.00 H new ATOM 827 N GLY A 60 10.357 10.658 10.983 1.00 0.00 N ATOM 828 CA GLY A 60 11.614 10.568 11.698 1.00 0.00 C ATOM 829 C GLY A 60 12.765 11.144 10.901 1.00 0.00 C ATOM 830 O GLY A 60 13.121 12.311 11.063 1.00 0.00 O ATOM 0 H GLY A 60 10.242 9.975 10.234 1.00 0.00 H new ATOM 0 HA2 GLY A 60 11.530 11.098 12.647 1.00 0.00 H new ATOM 0 HA3 GLY A 60 11.823 9.524 11.933 1.00 0.00 H new ATOM 834 N GLY A 61 13.348 10.323 10.034 1.00 0.00 N ATOM 835 CA GLY A 61 14.425 10.787 9.176 1.00 0.00 C ATOM 836 C GLY A 61 13.897 11.623 8.037 1.00 0.00 C ATOM 837 O GLY A 61 14.640 12.306 7.340 1.00 0.00 O ATOM 0 H GLY A 61 13.094 9.343 9.909 1.00 0.00 H new ATOM 0 HA2 GLY A 61 15.133 11.373 9.762 1.00 0.00 H new ATOM 0 HA3 GLY A 61 14.971 9.931 8.779 1.00 0.00 H new ATOM 841 N LEU A 62 12.594 11.553 7.862 1.00 0.00 N ATOM 842 CA LEU A 62 11.912 12.224 6.774 1.00 0.00 C ATOM 843 C LEU A 62 11.031 13.333 7.336 1.00 0.00 C ATOM 844 O LEU A 62 10.544 13.223 8.458 1.00 0.00 O ATOM 845 CB LEU A 62 11.040 11.211 6.014 1.00 0.00 C ATOM 846 CG LEU A 62 11.748 10.287 5.009 1.00 0.00 C ATOM 847 CD1 LEU A 62 12.994 9.642 5.596 1.00 0.00 C ATOM 848 CD2 LEU A 62 10.785 9.209 4.557 1.00 0.00 C ATOM 0 H LEU A 62 11.973 11.025 8.475 1.00 0.00 H new ATOM 0 HA LEU A 62 12.647 12.653 6.093 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.532 10.585 6.748 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.269 11.764 5.478 1.00 0.00 H new ATOM 0 HG LEU A 62 12.064 10.898 4.163 1.00 0.00 H new ATOM 0 HD11 LEU A 62 13.458 8.999 4.848 1.00 0.00 H new ATOM 0 HD12 LEU A 62 13.699 10.418 5.895 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.720 9.046 6.466 1.00 0.00 H new ATOM 0 HD21 LEU A 62 11.283 8.552 3.844 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.458 8.628 5.419 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.919 9.670 4.081 1.00 0.00 H new ATOM 860 N PRO A 63 10.819 14.417 6.572 1.00 0.00 N ATOM 861 CA PRO A 63 9.876 15.471 6.941 1.00 0.00 C ATOM 862 C PRO A 63 8.484 15.133 6.433 1.00 0.00 C ATOM 863 O PRO A 63 7.539 15.910 6.555 1.00 0.00 O ATOM 864 CB PRO A 63 10.431 16.669 6.186 1.00 0.00 C ATOM 865 CG PRO A 63 10.901 16.069 4.911 1.00 0.00 C ATOM 866 CD PRO A 63 11.486 14.726 5.287 1.00 0.00 C ATOM 0 HA PRO A 63 9.783 15.626 8.016 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.668 17.429 6.018 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.244 17.149 6.731 1.00 0.00 H new ATOM 0 HG2 PRO A 63 10.079 15.955 4.205 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.648 16.702 4.431 1.00 0.00 H new ATOM 0 HD2 PRO A 63 11.276 13.969 4.531 1.00 0.00 H new ATOM 0 HD3 PRO A 63 12.569 14.775 5.397 1.00 0.00 H new ATOM 874 N GLU A 64 8.399 13.957 5.843 1.00 0.00 N ATOM 875 CA GLU A 64 7.197 13.480 5.208 1.00 0.00 C ATOM 876 C GLU A 64 6.826 12.119 5.777 1.00 0.00 C ATOM 877 O GLU A 64 7.459 11.640 6.721 1.00 0.00 O ATOM 878 CB GLU A 64 7.424 13.410 3.693 1.00 0.00 C ATOM 879 CG GLU A 64 8.672 12.625 3.309 1.00 0.00 C ATOM 880 CD GLU A 64 9.335 13.142 2.045 1.00 0.00 C ATOM 881 OE1 GLU A 64 10.109 14.115 2.135 1.00 0.00 O ATOM 882 OE2 GLU A 64 9.119 12.563 0.965 1.00 0.00 O ATOM 0 H GLU A 64 9.178 13.300 5.793 1.00 0.00 H new ATOM 0 HA GLU A 64 6.370 14.163 5.402 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.555 12.951 3.223 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.503 14.422 3.297 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.387 12.667 4.130 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.406 11.577 3.170 1.00 0.00 H new ATOM 889 N ARG A 65 5.822 11.498 5.201 1.00 0.00 N ATOM 890 CA ARG A 65 5.329 10.233 5.697 1.00 0.00 C ATOM 891 C ARG A 65 6.168 9.094 5.140 1.00 0.00 C ATOM 892 O ARG A 65 6.634 9.161 4.001 1.00 0.00 O ATOM 893 CB ARG A 65 3.868 10.057 5.291 1.00 0.00 C ATOM 894 CG ARG A 65 3.120 9.071 6.158 1.00 0.00 C ATOM 895 CD ARG A 65 3.074 9.549 7.594 1.00 0.00 C ATOM 896 NE ARG A 65 2.462 10.870 7.729 1.00 0.00 N ATOM 897 CZ ARG A 65 1.284 11.086 8.311 1.00 0.00 C ATOM 898 NH1 ARG A 65 0.545 10.061 8.720 1.00 0.00 N ATOM 899 NH2 ARG A 65 0.835 12.324 8.463 1.00 0.00 N ATOM 0 H ARG A 65 5.327 11.852 4.382 1.00 0.00 H new ATOM 0 HA ARG A 65 5.401 10.221 6.785 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.367 11.024 5.337 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.824 9.724 4.254 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.106 8.942 5.780 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.604 8.096 6.109 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.515 8.831 8.194 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.087 9.580 7.995 1.00 0.00 H new ATOM 0 HE ARG A 65 2.967 11.673 7.355 1.00 0.00 H new ATOM 0 HH11 ARG A 65 0.880 9.106 8.588 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -0.357 10.228 9.166 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.392 13.113 8.134 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.068 12.488 8.909 1.00 0.00 H new ATOM 913 N SER A 66 6.369 8.050 5.929 1.00 0.00 N ATOM 914 CA SER A 66 7.160 6.924 5.469 1.00 0.00 C ATOM 915 C SER A 66 6.331 5.648 5.517 1.00 0.00 C ATOM 916 O SER A 66 5.793 5.285 6.563 1.00 0.00 O ATOM 917 CB SER A 66 8.439 6.799 6.304 1.00 0.00 C ATOM 918 OG SER A 66 8.145 6.710 7.690 1.00 0.00 O ATOM 0 H SER A 66 6.001 7.960 6.876 1.00 0.00 H new ATOM 0 HA SER A 66 7.456 7.091 4.433 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.995 5.915 5.991 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.081 7.661 6.121 1.00 0.00 H new ATOM 0 HG SER A 66 8.980 6.629 8.197 1.00 0.00 H new ATOM 924 N VAL A 67 6.198 4.996 4.376 1.00 0.00 N ATOM 925 CA VAL A 67 5.389 3.793 4.271 1.00 0.00 C ATOM 926 C VAL A 67 6.255 2.597 3.909 1.00 0.00 C ATOM 927 O VAL A 67 7.062 2.675 2.988 1.00 0.00 O ATOM 928 CB VAL A 67 4.291 3.957 3.198 1.00 0.00 C ATOM 929 CG1 VAL A 67 3.452 2.694 3.078 1.00 0.00 C ATOM 930 CG2 VAL A 67 3.414 5.160 3.511 1.00 0.00 C ATOM 0 H VAL A 67 6.643 5.281 3.503 1.00 0.00 H new ATOM 0 HA VAL A 67 4.921 3.627 5.241 1.00 0.00 H new ATOM 0 HB VAL A 67 4.778 4.127 2.238 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.686 2.837 2.315 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.092 1.857 2.797 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.976 2.481 4.035 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.646 5.260 2.744 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.940 5.022 4.483 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.026 6.061 3.531 1.00 0.00 H new ATOM 940 N SER A 68 6.100 1.500 4.633 1.00 0.00 N ATOM 941 CA SER A 68 6.816 0.286 4.291 1.00 0.00 C ATOM 942 C SER A 68 5.973 -0.613 3.413 1.00 0.00 C ATOM 943 O SER A 68 4.840 -0.968 3.753 1.00 0.00 O ATOM 944 CB SER A 68 7.237 -0.499 5.520 1.00 0.00 C ATOM 945 OG SER A 68 8.168 0.221 6.317 1.00 0.00 O ATOM 0 H SER A 68 5.493 1.427 5.450 1.00 0.00 H new ATOM 0 HA SER A 68 7.710 0.603 3.753 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.357 -0.738 6.117 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.680 -1.446 5.212 1.00 0.00 H new ATOM 0 HG SER A 68 8.611 0.901 5.768 1.00 0.00 H new ATOM 951 N LEU A 69 6.537 -0.967 2.284 1.00 0.00 N ATOM 952 CA LEU A 69 5.904 -1.857 1.346 1.00 0.00 C ATOM 953 C LEU A 69 6.604 -3.213 1.350 1.00 0.00 C ATOM 954 O LEU A 69 7.714 -3.337 0.839 1.00 0.00 O ATOM 955 CB LEU A 69 5.983 -1.259 -0.054 1.00 0.00 C ATOM 956 CG LEU A 69 5.134 -0.004 -0.331 1.00 0.00 C ATOM 957 CD1 LEU A 69 3.662 -0.274 -0.061 1.00 0.00 C ATOM 958 CD2 LEU A 69 5.611 1.196 0.474 1.00 0.00 C ATOM 0 H LEU A 69 7.457 -0.641 1.989 1.00 0.00 H new ATOM 0 HA LEU A 69 4.862 -1.991 1.636 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.025 -1.014 -0.259 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.691 -2.029 -0.768 1.00 0.00 H new ATOM 0 HG LEU A 69 5.257 0.239 -1.387 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.084 0.627 -0.264 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.316 -1.081 -0.707 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.530 -0.563 0.982 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.984 2.058 0.248 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.546 0.969 1.538 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.645 1.421 0.214 1.00 0.00 H new ATOM 970 N THR A 70 5.989 -4.212 1.967 1.00 0.00 N ATOM 971 CA THR A 70 6.529 -5.567 1.955 1.00 0.00 C ATOM 972 C THR A 70 5.398 -6.586 2.095 1.00 0.00 C ATOM 973 O THR A 70 4.566 -6.451 2.979 1.00 0.00 O ATOM 974 CB THR A 70 7.538 -5.761 3.099 1.00 0.00 C ATOM 975 OG1 THR A 70 8.478 -4.681 3.112 1.00 0.00 O ATOM 976 CG2 THR A 70 8.285 -7.069 2.935 1.00 0.00 C ATOM 0 H THR A 70 5.115 -4.111 2.483 1.00 0.00 H new ATOM 0 HA THR A 70 7.040 -5.720 1.005 1.00 0.00 H new ATOM 0 HB THR A 70 6.988 -5.780 4.040 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.373 -5.028 3.309 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.994 -7.188 3.754 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.576 -7.897 2.946 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.823 -7.064 1.987 1.00 0.00 H new ATOM 984 N GLY A 71 5.355 -7.605 1.237 1.00 0.00 N ATOM 985 CA GLY A 71 4.259 -8.560 1.308 1.00 0.00 C ATOM 986 C GLY A 71 4.533 -9.865 0.587 1.00 0.00 C ATOM 987 O GLY A 71 4.924 -10.853 1.209 1.00 0.00 O ATOM 0 H GLY A 71 6.045 -7.785 0.507 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.043 -8.773 2.355 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.364 -8.103 0.885 1.00 0.00 H new ATOM 991 N ALA A 72 4.327 -9.865 -0.725 1.00 0.00 N ATOM 992 CA ALA A 72 4.483 -11.063 -1.544 1.00 0.00 C ATOM 993 C ALA A 72 4.678 -10.652 -3.002 1.00 0.00 C ATOM 994 O ALA A 72 4.479 -9.485 -3.322 1.00 0.00 O ATOM 995 CB ALA A 72 3.264 -11.961 -1.383 1.00 0.00 C ATOM 0 H ALA A 72 4.048 -9.037 -1.251 1.00 0.00 H new ATOM 0 HA ALA A 72 5.359 -11.625 -1.221 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.386 -12.854 -1.997 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.161 -12.251 -0.337 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.371 -11.422 -1.700 1.00 0.00 H new ATOM 1001 N PRO A 73 5.078 -11.582 -3.898 1.00 0.00 N ATOM 1002 CA PRO A 73 5.341 -11.267 -5.317 1.00 0.00 C ATOM 1003 C PRO A 73 4.264 -10.393 -5.962 1.00 0.00 C ATOM 1004 O PRO A 73 4.554 -9.303 -6.456 1.00 0.00 O ATOM 1005 CB PRO A 73 5.380 -12.646 -5.970 1.00 0.00 C ATOM 1006 CG PRO A 73 5.887 -13.547 -4.899 1.00 0.00 C ATOM 1007 CD PRO A 73 5.328 -13.011 -3.608 1.00 0.00 C ATOM 0 HA PRO A 73 6.255 -10.685 -5.436 1.00 0.00 H new ATOM 0 HB2 PRO A 73 4.391 -12.952 -6.312 1.00 0.00 H new ATOM 0 HB3 PRO A 73 6.036 -12.655 -6.841 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.564 -14.574 -5.068 1.00 0.00 H new ATOM 0 HG3 PRO A 73 6.977 -13.555 -4.879 1.00 0.00 H new ATOM 0 HD2 PRO A 73 4.411 -13.528 -3.324 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.032 -13.135 -2.785 1.00 0.00 H new ATOM 1015 N GLU A 74 3.027 -10.867 -5.940 1.00 0.00 N ATOM 1016 CA GLU A 74 1.915 -10.130 -6.528 1.00 0.00 C ATOM 1017 C GLU A 74 1.500 -8.985 -5.607 1.00 0.00 C ATOM 1018 O GLU A 74 1.153 -7.891 -6.056 1.00 0.00 O ATOM 1019 CB GLU A 74 0.730 -11.078 -6.755 1.00 0.00 C ATOM 1020 CG GLU A 74 -0.484 -10.424 -7.396 1.00 0.00 C ATOM 1021 CD GLU A 74 -0.235 -10.006 -8.829 1.00 0.00 C ATOM 1022 OE1 GLU A 74 -0.188 -10.889 -9.713 1.00 0.00 O ATOM 1023 OE2 GLU A 74 -0.094 -8.798 -9.089 1.00 0.00 O ATOM 0 H GLU A 74 2.766 -11.760 -5.521 1.00 0.00 H new ATOM 0 HA GLU A 74 2.229 -9.714 -7.485 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.057 -11.905 -7.385 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.434 -11.506 -5.797 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.324 -11.118 -7.365 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.771 -9.550 -6.812 1.00 0.00 H new ATOM 1030 N SER A 75 1.589 -9.242 -4.313 1.00 0.00 N ATOM 1031 CA SER A 75 1.082 -8.329 -3.307 1.00 0.00 C ATOM 1032 C SER A 75 1.896 -7.043 -3.242 1.00 0.00 C ATOM 1033 O SER A 75 1.341 -5.949 -3.149 1.00 0.00 O ATOM 1034 CB SER A 75 1.093 -9.023 -1.951 1.00 0.00 C ATOM 1035 OG SER A 75 0.348 -10.226 -2.004 1.00 0.00 O ATOM 0 H SER A 75 2.014 -10.088 -3.933 1.00 0.00 H new ATOM 0 HA SER A 75 0.063 -8.054 -3.580 1.00 0.00 H new ATOM 0 HB2 SER A 75 2.120 -9.237 -1.654 1.00 0.00 H new ATOM 0 HB3 SER A 75 0.673 -8.361 -1.194 1.00 0.00 H new ATOM 0 HG SER A 75 -0.593 -10.020 -2.184 1.00 0.00 H new ATOM 1041 N VAL A 76 3.209 -7.177 -3.313 1.00 0.00 N ATOM 1042 CA VAL A 76 4.098 -6.051 -3.100 1.00 0.00 C ATOM 1043 C VAL A 76 4.043 -5.084 -4.281 1.00 0.00 C ATOM 1044 O VAL A 76 4.177 -3.875 -4.108 1.00 0.00 O ATOM 1045 CB VAL A 76 5.548 -6.527 -2.849 1.00 0.00 C ATOM 1046 CG1 VAL A 76 6.307 -6.767 -4.149 1.00 0.00 C ATOM 1047 CG2 VAL A 76 6.282 -5.551 -1.952 1.00 0.00 C ATOM 0 H VAL A 76 3.683 -8.057 -3.517 1.00 0.00 H new ATOM 0 HA VAL A 76 3.759 -5.521 -2.210 1.00 0.00 H new ATOM 0 HB VAL A 76 5.494 -7.488 -2.337 1.00 0.00 H new ATOM 0 HG11 VAL A 76 7.320 -7.100 -3.923 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.796 -7.532 -4.733 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.349 -5.841 -4.722 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.300 -5.903 -1.787 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.310 -4.570 -2.427 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.765 -5.476 -0.996 1.00 0.00 H new ATOM 1057 N GLN A 77 3.809 -5.619 -5.475 1.00 0.00 N ATOM 1058 CA GLN A 77 3.731 -4.791 -6.667 1.00 0.00 C ATOM 1059 C GLN A 77 2.423 -4.020 -6.687 1.00 0.00 C ATOM 1060 O GLN A 77 2.389 -2.862 -7.081 1.00 0.00 O ATOM 1061 CB GLN A 77 3.864 -5.638 -7.934 1.00 0.00 C ATOM 1062 CG GLN A 77 5.219 -6.309 -8.080 1.00 0.00 C ATOM 1063 CD GLN A 77 5.383 -7.011 -9.416 1.00 0.00 C ATOM 1064 OE1 GLN A 77 6.493 -7.139 -9.931 1.00 0.00 O ATOM 1065 NE2 GLN A 77 4.284 -7.458 -9.999 1.00 0.00 N ATOM 0 H GLN A 77 3.671 -6.616 -5.640 1.00 0.00 H new ATOM 0 HA GLN A 77 4.560 -4.083 -6.643 1.00 0.00 H new ATOM 0 HB2 GLN A 77 3.088 -6.403 -7.932 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.686 -5.006 -8.804 1.00 0.00 H new ATOM 0 HG2 GLN A 77 6.004 -5.561 -7.968 1.00 0.00 H new ATOM 0 HG3 GLN A 77 5.350 -7.032 -7.275 1.00 0.00 H new ATOM 0 HE21 GLN A 77 3.379 -7.335 -9.544 1.00 0.00 H new ATOM 0 HE22 GLN A 77 4.341 -7.926 -10.904 1.00 0.00 H new ATOM 1074 N LYS A 78 1.354 -4.665 -6.236 1.00 0.00 N ATOM 1075 CA LYS A 78 0.037 -4.043 -6.208 1.00 0.00 C ATOM 1076 C LYS A 78 -0.017 -2.955 -5.132 1.00 0.00 C ATOM 1077 O LYS A 78 -0.644 -1.906 -5.312 1.00 0.00 O ATOM 1078 CB LYS A 78 -1.032 -5.112 -5.963 1.00 0.00 C ATOM 1079 CG LYS A 78 -2.451 -4.662 -6.274 1.00 0.00 C ATOM 1080 CD LYS A 78 -2.563 -4.124 -7.693 1.00 0.00 C ATOM 1081 CE LYS A 78 -4.010 -3.995 -8.138 1.00 0.00 C ATOM 1082 NZ LYS A 78 -4.832 -3.235 -7.162 1.00 0.00 N ATOM 0 H LYS A 78 1.374 -5.622 -5.884 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.158 -3.570 -7.171 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.800 -5.987 -6.570 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.983 -5.425 -4.920 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.137 -5.500 -6.145 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.754 -3.891 -5.566 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.077 -3.150 -7.751 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.031 -4.787 -8.376 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.047 -3.497 -9.107 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.437 -4.989 -8.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.721 -2.938 -7.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.045 -3.839 -6.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.307 -2.395 -6.845 1.00 0.00 H new ATOM 1096 N ALA A 79 0.664 -3.205 -4.018 1.00 0.00 N ATOM 1097 CA ALA A 79 0.764 -2.231 -2.941 1.00 0.00 C ATOM 1098 C ALA A 79 1.501 -0.983 -3.406 1.00 0.00 C ATOM 1099 O ALA A 79 1.110 0.141 -3.097 1.00 0.00 O ATOM 1100 CB ALA A 79 1.486 -2.838 -1.753 1.00 0.00 C ATOM 0 H ALA A 79 1.157 -4.080 -3.839 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.246 -1.948 -2.644 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.555 -2.100 -0.953 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.934 -3.708 -1.397 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.489 -3.142 -2.053 1.00 0.00 H new ATOM 1106 N LYS A 80 2.554 -1.197 -4.177 1.00 0.00 N ATOM 1107 CA LYS A 80 3.397 -0.106 -4.635 1.00 0.00 C ATOM 1108 C LYS A 80 2.759 0.544 -5.842 1.00 0.00 C ATOM 1109 O LYS A 80 3.069 1.670 -6.201 1.00 0.00 O ATOM 1110 CB LYS A 80 4.813 -0.594 -4.961 1.00 0.00 C ATOM 1111 CG LYS A 80 5.591 -1.038 -3.731 1.00 0.00 C ATOM 1112 CD LYS A 80 7.083 -1.118 -4.009 1.00 0.00 C ATOM 1113 CE LYS A 80 7.448 -2.309 -4.876 1.00 0.00 C ATOM 1114 NZ LYS A 80 8.869 -2.244 -5.315 1.00 0.00 N ATOM 0 H LYS A 80 2.846 -2.120 -4.500 1.00 0.00 H new ATOM 0 HA LYS A 80 3.487 0.629 -3.835 1.00 0.00 H new ATOM 0 HB2 LYS A 80 4.751 -1.425 -5.664 1.00 0.00 H new ATOM 0 HB3 LYS A 80 5.360 0.206 -5.460 1.00 0.00 H new ATOM 0 HG2 LYS A 80 5.410 -0.340 -2.914 1.00 0.00 H new ATOM 0 HG3 LYS A 80 5.229 -2.013 -3.403 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.408 -0.201 -4.501 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.623 -1.181 -3.064 1.00 0.00 H new ATOM 0 HE2 LYS A 80 7.279 -3.231 -4.320 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.796 -2.339 -5.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 9.218 -3.205 -5.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 8.939 -1.672 -6.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 9.444 -1.809 -4.565 1.00 0.00 H new ATOM 1128 N MET A 81 1.883 -0.211 -6.465 1.00 0.00 N ATOM 1129 CA MET A 81 1.095 0.239 -7.589 1.00 0.00 C ATOM 1130 C MET A 81 0.252 1.456 -7.207 1.00 0.00 C ATOM 1131 O MET A 81 0.352 2.513 -7.841 1.00 0.00 O ATOM 1132 CB MET A 81 0.225 -0.935 -8.017 1.00 0.00 C ATOM 1133 CG MET A 81 -0.706 -0.669 -9.166 1.00 0.00 C ATOM 1134 SD MET A 81 0.150 -0.202 -10.683 1.00 0.00 S ATOM 1135 CE MET A 81 -1.230 -0.115 -11.824 1.00 0.00 C ATOM 0 H MET A 81 1.695 -1.177 -6.198 1.00 0.00 H new ATOM 0 HA MET A 81 1.733 0.556 -8.414 1.00 0.00 H new ATOM 0 HB2 MET A 81 0.876 -1.767 -8.285 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.367 -1.257 -7.160 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.304 -1.561 -9.354 1.00 0.00 H new ATOM 0 HG3 MET A 81 -1.398 0.126 -8.888 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.867 0.164 -12.813 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.719 -1.087 -11.878 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.944 0.631 -11.475 1.00 0.00 H new ATOM 1145 N MET A 82 -0.561 1.315 -6.158 1.00 0.00 N ATOM 1146 CA MET A 82 -1.369 2.440 -5.675 1.00 0.00 C ATOM 1147 C MET A 82 -0.490 3.507 -5.032 1.00 0.00 C ATOM 1148 O MET A 82 -0.739 4.701 -5.185 1.00 0.00 O ATOM 1149 CB MET A 82 -2.429 1.989 -4.665 1.00 0.00 C ATOM 1150 CG MET A 82 -3.582 1.206 -5.266 1.00 0.00 C ATOM 1151 SD MET A 82 -4.323 2.025 -6.695 1.00 0.00 S ATOM 1152 CE MET A 82 -4.943 3.533 -5.950 1.00 0.00 C ATOM 0 H MET A 82 -0.678 0.448 -5.633 1.00 0.00 H new ATOM 0 HA MET A 82 -1.873 2.859 -6.546 1.00 0.00 H new ATOM 0 HB2 MET A 82 -1.948 1.375 -3.903 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.828 2.869 -4.160 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.228 0.219 -5.563 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.347 1.054 -4.504 1.00 0.00 H new ATOM 0 HE1 MET A 82 -5.549 4.075 -6.676 1.00 0.00 H new ATOM 0 HE2 MET A 82 -5.552 3.286 -5.081 1.00 0.00 H new ATOM 0 HE3 MET A 82 -4.105 4.157 -5.640 1.00 0.00 H new ATOM 1162 N LEU A 83 0.531 3.064 -4.307 1.00 0.00 N ATOM 1163 CA LEU A 83 1.462 3.976 -3.648 1.00 0.00 C ATOM 1164 C LEU A 83 2.090 4.916 -4.665 1.00 0.00 C ATOM 1165 O LEU A 83 1.946 6.128 -4.567 1.00 0.00 O ATOM 1166 CB LEU A 83 2.562 3.196 -2.914 1.00 0.00 C ATOM 1167 CG LEU A 83 2.464 3.180 -1.381 1.00 0.00 C ATOM 1168 CD1 LEU A 83 2.564 4.592 -0.824 1.00 0.00 C ATOM 1169 CD2 LEU A 83 1.170 2.521 -0.924 1.00 0.00 C ATOM 0 H LEU A 83 0.736 2.076 -4.160 1.00 0.00 H new ATOM 0 HA LEU A 83 0.903 4.561 -2.918 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.550 2.166 -3.270 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.528 3.618 -3.193 1.00 0.00 H new ATOM 0 HG LEU A 83 3.299 2.594 -0.997 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.493 4.560 0.263 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.520 5.030 -1.112 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.752 5.199 -1.223 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.126 2.523 0.165 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.320 3.074 -1.323 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.137 1.494 -1.287 1.00 0.00 H new ATOM 1181 N ASP A 84 2.750 4.335 -5.660 1.00 0.00 N ATOM 1182 CA ASP A 84 3.428 5.094 -6.707 1.00 0.00 C ATOM 1183 C ASP A 84 2.485 6.096 -7.355 1.00 0.00 C ATOM 1184 O ASP A 84 2.865 7.235 -7.605 1.00 0.00 O ATOM 1185 CB ASP A 84 3.981 4.134 -7.763 1.00 0.00 C ATOM 1186 CG ASP A 84 4.599 4.846 -8.948 1.00 0.00 C ATOM 1187 OD1 ASP A 84 5.802 5.172 -8.892 1.00 0.00 O ATOM 1188 OD2 ASP A 84 3.892 5.054 -9.953 1.00 0.00 O ATOM 0 H ASP A 84 2.831 3.324 -5.765 1.00 0.00 H new ATOM 0 HA ASP A 84 4.250 5.649 -6.254 1.00 0.00 H new ATOM 0 HB2 ASP A 84 4.730 3.490 -7.303 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.177 3.487 -8.114 1.00 0.00 H new ATOM 1193 N ASP A 85 1.257 5.665 -7.603 1.00 0.00 N ATOM 1194 CA ASP A 85 0.249 6.515 -8.230 1.00 0.00 C ATOM 1195 C ASP A 85 0.053 7.822 -7.451 1.00 0.00 C ATOM 1196 O ASP A 85 0.278 8.918 -7.981 1.00 0.00 O ATOM 1197 CB ASP A 85 -1.073 5.748 -8.332 1.00 0.00 C ATOM 1198 CG ASP A 85 -2.172 6.548 -9.007 1.00 0.00 C ATOM 1199 OD1 ASP A 85 -2.013 6.896 -10.198 1.00 0.00 O ATOM 1200 OD2 ASP A 85 -3.213 6.811 -8.366 1.00 0.00 O ATOM 0 H ASP A 85 0.931 4.725 -7.379 1.00 0.00 H new ATOM 0 HA ASP A 85 0.594 6.780 -9.229 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.909 4.825 -8.888 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -1.400 5.464 -7.332 1.00 0.00 H new ATOM 1205 N ILE A 86 -0.327 7.702 -6.186 1.00 0.00 N ATOM 1206 CA ILE A 86 -0.613 8.872 -5.357 1.00 0.00 C ATOM 1207 C ILE A 86 0.671 9.618 -4.984 1.00 0.00 C ATOM 1208 O ILE A 86 0.703 10.855 -4.943 1.00 0.00 O ATOM 1209 CB ILE A 86 -1.404 8.487 -4.078 1.00 0.00 C ATOM 1210 CG1 ILE A 86 -2.865 8.170 -4.415 1.00 0.00 C ATOM 1211 CG2 ILE A 86 -1.339 9.586 -3.028 1.00 0.00 C ATOM 1212 CD1 ILE A 86 -3.067 6.842 -5.107 1.00 0.00 C ATOM 0 H ILE A 86 -0.445 6.808 -5.709 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.237 9.539 -5.952 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.935 7.594 -3.664 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.449 8.180 -3.495 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.260 8.962 -5.051 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.904 9.281 -2.147 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.300 9.762 -2.750 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.767 10.503 -3.434 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.128 6.695 -5.310 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.513 6.833 -6.046 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.706 6.039 -4.465 1.00 0.00 H new ATOM 1224 N VAL A 87 1.738 8.874 -4.736 1.00 0.00 N ATOM 1225 CA VAL A 87 3.003 9.486 -4.374 1.00 0.00 C ATOM 1226 C VAL A 87 3.552 10.311 -5.524 1.00 0.00 C ATOM 1227 O VAL A 87 4.196 11.324 -5.307 1.00 0.00 O ATOM 1228 CB VAL A 87 4.051 8.449 -3.917 1.00 0.00 C ATOM 1229 CG1 VAL A 87 5.389 9.119 -3.645 1.00 0.00 C ATOM 1230 CG2 VAL A 87 3.570 7.716 -2.676 1.00 0.00 C ATOM 0 H VAL A 87 1.752 7.855 -4.779 1.00 0.00 H new ATOM 0 HA VAL A 87 2.802 10.142 -3.527 1.00 0.00 H new ATOM 0 HB VAL A 87 4.184 7.725 -4.721 1.00 0.00 H new ATOM 0 HG11 VAL A 87 6.113 8.370 -3.324 1.00 0.00 H new ATOM 0 HG12 VAL A 87 5.746 9.602 -4.555 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.269 9.866 -2.861 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.322 6.989 -2.369 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.407 8.432 -1.871 1.00 0.00 H new ATOM 0 HG23 VAL A 87 2.636 7.200 -2.897 1.00 0.00 H new ATOM 1240 N SER A 88 3.269 9.899 -6.743 1.00 0.00 N ATOM 1241 CA SER A 88 3.681 10.668 -7.902 1.00 0.00 C ATOM 1242 C SER A 88 2.851 11.942 -8.026 1.00 0.00 C ATOM 1243 O SER A 88 3.328 12.955 -8.542 1.00 0.00 O ATOM 1244 CB SER A 88 3.552 9.826 -9.163 1.00 0.00 C ATOM 1245 OG SER A 88 4.416 8.705 -9.115 1.00 0.00 O ATOM 0 H SER A 88 2.759 9.042 -6.957 1.00 0.00 H new ATOM 0 HA SER A 88 4.726 10.952 -7.775 1.00 0.00 H new ATOM 0 HB2 SER A 88 2.521 9.491 -9.277 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.788 10.434 -10.036 1.00 0.00 H new ATOM 0 HG SER A 88 3.923 7.926 -8.783 1.00 0.00 H new ATOM 1251 N ARG A 89 1.605 11.885 -7.554 1.00 0.00 N ATOM 1252 CA ARG A 89 0.734 13.063 -7.542 1.00 0.00 C ATOM 1253 C ARG A 89 1.381 14.212 -6.777 1.00 0.00 C ATOM 1254 O ARG A 89 1.434 15.343 -7.263 1.00 0.00 O ATOM 1255 CB ARG A 89 -0.620 12.739 -6.899 1.00 0.00 C ATOM 1256 CG ARG A 89 -1.378 11.618 -7.582 1.00 0.00 C ATOM 1257 CD ARG A 89 -1.613 11.926 -9.050 1.00 0.00 C ATOM 1258 NE ARG A 89 -2.330 13.187 -9.238 1.00 0.00 N ATOM 1259 CZ ARG A 89 -2.101 14.029 -10.245 1.00 0.00 C ATOM 1260 NH1 ARG A 89 -1.131 13.783 -11.114 1.00 0.00 N ATOM 1261 NH2 ARG A 89 -2.820 15.138 -10.362 1.00 0.00 N ATOM 0 H ARG A 89 1.177 11.040 -7.176 1.00 0.00 H new ATOM 0 HA ARG A 89 0.579 13.360 -8.579 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.459 12.471 -5.855 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -1.237 13.637 -6.906 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.818 10.688 -7.488 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.335 11.466 -7.082 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -0.655 11.973 -9.568 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -2.182 11.115 -9.504 1.00 0.00 H new ATOM 0 HE ARG A 89 -3.048 13.437 -8.558 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -0.556 12.946 -11.013 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -0.959 14.430 -11.883 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -3.549 15.347 -9.680 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -2.643 15.781 -11.134 1.00 0.00 H new ATOM 1275 N GLY A 90 1.865 13.918 -5.576 1.00 0.00 N ATOM 1276 CA GLY A 90 2.441 14.958 -4.739 1.00 0.00 C ATOM 1277 C GLY A 90 3.956 14.993 -4.773 1.00 0.00 C ATOM 1278 O GLY A 90 4.554 16.030 -5.047 1.00 0.00 O ATOM 0 H GLY A 90 1.870 12.984 -5.167 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.056 15.926 -5.060 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.112 14.809 -3.711 1.00 0.00 H new ATOM 1282 N ARG A 91 4.575 13.854 -4.512 1.00 0.00 N ATOM 1283 CA ARG A 91 6.029 13.754 -4.431 1.00 0.00 C ATOM 1284 C ARG A 91 6.608 13.389 -5.799 1.00 0.00 C ATOM 1285 O ARG A 91 7.583 12.641 -5.900 1.00 0.00 O ATOM 1286 CB ARG A 91 6.417 12.690 -3.395 1.00 0.00 C ATOM 1287 CG ARG A 91 7.800 12.872 -2.787 1.00 0.00 C ATOM 1288 CD ARG A 91 7.887 14.162 -1.987 1.00 0.00 C ATOM 1289 NE ARG A 91 9.137 14.262 -1.237 1.00 0.00 N ATOM 1290 CZ ARG A 91 10.048 15.219 -1.427 1.00 0.00 C ATOM 1291 NH1 ARG A 91 9.836 16.174 -2.326 1.00 0.00 N ATOM 1292 NH2 ARG A 91 11.162 15.226 -0.707 1.00 0.00 N ATOM 0 H ARG A 91 4.088 12.972 -4.350 1.00 0.00 H new ATOM 0 HA ARG A 91 6.436 14.717 -4.124 1.00 0.00 H new ATOM 0 HB2 ARG A 91 5.678 12.696 -2.593 1.00 0.00 H new ATOM 0 HB3 ARG A 91 6.368 11.708 -3.866 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.030 12.025 -2.141 1.00 0.00 H new ATOM 0 HG3 ARG A 91 8.549 12.881 -3.579 1.00 0.00 H new ATOM 0 HD2 ARG A 91 7.801 15.013 -2.663 1.00 0.00 H new ATOM 0 HD3 ARG A 91 7.045 14.217 -1.297 1.00 0.00 H new ATOM 0 HE ARG A 91 9.325 13.557 -0.524 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.975 16.177 -2.873 1.00 0.00 H new ATOM 0 HH12 ARG A 91 10.534 16.904 -2.469 1.00 0.00 H new ATOM 0 HH21 ARG A 91 11.322 14.500 -0.008 1.00 0.00 H new ATOM 0 HH22 ARG A 91 11.858 15.957 -0.852 1.00 0.00 H new ATOM 1306 N GLY A 92 6.001 13.918 -6.849 1.00 0.00 N ATOM 1307 CA GLY A 92 6.443 13.614 -8.192 1.00 0.00 C ATOM 1308 C GLY A 92 6.628 14.859 -9.030 1.00 0.00 C ATOM 1309 O GLY A 92 5.829 15.138 -9.927 1.00 0.00 O ATOM 0 H GLY A 92 5.207 14.555 -6.794 1.00 0.00 H new ATOM 0 HA2 GLY A 92 7.384 13.066 -8.147 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.715 12.960 -8.672 1.00 0.00 H new ATOM 1313 N GLY A 93 7.672 15.614 -8.733 1.00 0.00 N ATOM 1314 CA GLY A 93 7.966 16.801 -9.499 1.00 0.00 C ATOM 1315 C GLY A 93 9.453 17.019 -9.630 1.00 0.00 C ATOM 1316 O GLY A 93 10.184 16.723 -8.664 1.00 0.00 O ATOM 1317 OXT GLY A 93 9.900 17.443 -10.711 1.00 0.00 O ATOM 0 H GLY A 93 8.323 15.424 -7.971 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.521 16.715 -10.490 1.00 0.00 H new ATOM 0 HA3 GLY A 93 7.511 17.667 -9.019 1.00 0.00 H new TER 1321 GLY A 93