USER MOD reduce.3.24.130724 H: found=0, std=0, add=916, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 910 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 NoAdj-H: A 34 HIS HE2 : A 34 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 49 LYS NZ :NH3+ -137:sc= -0.0588 (180deg=0) USER MOD Set 1.2: A 50 HIS : no HD1:sc= -1.33 X(o=-1.4,f=-0.94) USER MOD Set 2.1: A 46 MET CE :methyl -143:sc= -0.208 (180deg=0) USER MOD Set 2.2: A 74 MET CE :methyl -125:sc= -0.441 (180deg=-0.433) USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.118 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 29:sc= 0.313 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HE2:sc= -0.374 X(o=-0.37,f=-0.43) USER MOD Single : A 14 GLN : amide:sc= -0.0354 K(o=-0.035,f=-1.7!) USER MOD Single : A 15 HIS : no HD1:sc= -1.69 K(o=-1.7,f=-4.6!) USER MOD Single : A 16 THR OG1 : rot 120:sc= -0.486 USER MOD Single : A 27 SER OG : rot -54:sc=-0.00803 USER MOD Single : A 31 THR OG1 : rot -87:sc= 0.721 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot -73:sc= 0.196 USER MOD Single : A 36 LYS NZ :NH3+ 137:sc= 0.483 (180deg=0.0483) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= -1.66 K(o=-1.7,f=-2.5) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.218 X(o=-0.22,f=0.035) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 171:sc= 1.1 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -2.19! C(o=-2.2!,f=-4.9!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -1.2! X(o=-1.2!,f=-0.73) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 120:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.239 X(o=-0.24,f=-0.59) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.93 K(o=-0.93,f=-2.8!) USER MOD Single : A 85 LYS NZ :NH3+ -160:sc= -0.0263 (180deg=-0.232) USER MOD Single : A 88 TYR OH : rot 180:sc= -0.0132 USER MOD Single : A 90 LYS NZ :NH3+ 159:sc= -0.0447 (180deg=-0.333) USER MOD Single : A 100 GLN : amide:sc= -0.29 K(o=-0.29,f=-1.3) USER MOD Single : A 107 TYR OH : rot -12:sc= 0.539 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= -0.12 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.574 -5.740 13.448 1.00 0.00 N ATOM 2 CA GLY A 1 14.636 -5.025 14.710 1.00 0.00 C ATOM 3 C GLY A 1 13.824 -3.745 14.691 1.00 0.00 C ATOM 4 O GLY A 1 13.183 -3.423 13.690 1.00 0.00 O ATOM 0 H1 GLY A 1 14.156 -6.680 13.602 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.988 -5.206 12.775 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.534 -5.847 13.062 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.271 -5.671 15.509 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.675 -4.789 14.940 1.00 0.00 H new ATOM 8 N SER A 2 13.849 -3.014 15.801 1.00 0.00 N ATOM 9 CA SER A 2 13.105 -1.764 15.910 1.00 0.00 C ATOM 10 C SER A 2 13.905 -0.721 16.683 1.00 0.00 C ATOM 11 O SER A 2 14.321 -0.957 17.818 1.00 0.00 O ATOM 12 CB SER A 2 11.760 -2.005 16.598 1.00 0.00 C ATOM 13 OG SER A 2 10.851 -2.657 15.728 1.00 0.00 O ATOM 0 H SER A 2 14.376 -3.265 16.637 1.00 0.00 H new ATOM 0 HA SER A 2 12.927 -1.387 14.903 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.909 -2.610 17.493 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.339 -1.054 16.923 1.00 0.00 H new ATOM 0 HG SER A 2 10.000 -2.801 16.192 1.00 0.00 H new ATOM 19 N SER A 3 14.118 0.434 16.061 1.00 0.00 N ATOM 20 CA SER A 3 14.871 1.513 16.688 1.00 0.00 C ATOM 21 C SER A 3 14.750 2.802 15.880 1.00 0.00 C ATOM 22 O SER A 3 14.728 2.777 14.650 1.00 0.00 O ATOM 23 CB SER A 3 16.344 1.122 16.826 1.00 0.00 C ATOM 24 OG SER A 3 17.054 2.073 17.600 1.00 0.00 O ATOM 0 H SER A 3 13.779 0.646 15.123 1.00 0.00 H new ATOM 0 HA SER A 3 14.453 1.685 17.680 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.421 0.139 17.292 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.796 1.042 15.838 1.00 0.00 H new ATOM 0 HG SER A 3 17.992 1.799 17.675 1.00 0.00 H new ATOM 30 N GLY A 4 14.671 3.928 16.582 1.00 0.00 N ATOM 31 CA GLY A 4 14.552 5.211 15.915 1.00 0.00 C ATOM 32 C GLY A 4 14.117 6.317 16.857 1.00 0.00 C ATOM 33 O GLY A 4 12.946 6.693 16.883 1.00 0.00 O ATOM 0 H GLY A 4 14.687 3.975 17.601 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.511 5.475 15.468 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.833 5.128 15.100 1.00 0.00 H new ATOM 37 N SER A 5 15.062 6.836 17.633 1.00 0.00 N ATOM 38 CA SER A 5 14.769 7.901 18.586 1.00 0.00 C ATOM 39 C SER A 5 15.695 9.094 18.368 1.00 0.00 C ATOM 40 O SER A 5 16.918 8.957 18.384 1.00 0.00 O ATOM 41 CB SER A 5 14.912 7.386 20.019 1.00 0.00 C ATOM 42 OG SER A 5 16.251 7.015 20.297 1.00 0.00 O ATOM 0 H SER A 5 16.037 6.537 17.621 1.00 0.00 H new ATOM 0 HA SER A 5 13.741 8.226 18.425 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.592 8.158 20.719 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.256 6.529 20.168 1.00 0.00 H new ATOM 0 HG SER A 5 16.860 7.559 19.756 1.00 0.00 H new ATOM 48 N SER A 6 15.101 10.266 18.164 1.00 0.00 N ATOM 49 CA SER A 6 15.871 11.484 17.939 1.00 0.00 C ATOM 50 C SER A 6 15.165 12.693 18.546 1.00 0.00 C ATOM 51 O SER A 6 14.023 12.599 18.992 1.00 0.00 O ATOM 52 CB SER A 6 16.089 11.705 16.441 1.00 0.00 C ATOM 53 OG SER A 6 14.857 11.914 15.772 1.00 0.00 O ATOM 0 H SER A 6 14.090 10.398 18.150 1.00 0.00 H new ATOM 0 HA SER A 6 16.839 11.368 18.427 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.740 12.566 16.288 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.597 10.841 16.013 1.00 0.00 H new ATOM 0 HG SER A 6 15.023 12.054 14.816 1.00 0.00 H new ATOM 59 N GLY A 7 15.855 13.829 18.558 1.00 0.00 N ATOM 60 CA GLY A 7 15.280 15.041 19.112 1.00 0.00 C ATOM 61 C GLY A 7 14.317 15.715 18.155 1.00 0.00 C ATOM 62 O GLY A 7 14.574 16.822 17.683 1.00 0.00 O ATOM 0 H GLY A 7 16.802 13.932 18.194 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.759 14.802 20.039 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.080 15.736 19.367 1.00 0.00 H new ATOM 66 N GLU A 8 13.204 15.046 17.868 1.00 0.00 N ATOM 67 CA GLU A 8 12.201 15.588 16.960 1.00 0.00 C ATOM 68 C GLU A 8 11.066 16.250 17.735 1.00 0.00 C ATOM 69 O GLU A 8 10.745 15.870 18.861 1.00 0.00 O ATOM 70 CB GLU A 8 11.642 14.481 16.063 1.00 0.00 C ATOM 71 CG GLU A 8 10.612 13.601 16.751 1.00 0.00 C ATOM 72 CD GLU A 8 10.359 12.306 16.005 1.00 0.00 C ATOM 73 OE1 GLU A 8 11.152 11.357 16.180 1.00 0.00 O ATOM 74 OE2 GLU A 8 9.369 12.241 15.247 1.00 0.00 O ATOM 0 H GLU A 8 12.975 14.129 18.251 1.00 0.00 H new ATOM 0 HA GLU A 8 12.682 16.343 16.338 1.00 0.00 H new ATOM 0 HB2 GLU A 8 11.189 14.934 15.181 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.465 13.857 15.714 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.951 13.373 17.762 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.675 14.150 16.845 1.00 0.00 H new ATOM 81 N PRO A 9 10.443 17.266 17.119 1.00 0.00 N ATOM 82 CA PRO A 9 9.335 18.004 17.732 1.00 0.00 C ATOM 83 C PRO A 9 8.067 17.163 17.838 1.00 0.00 C ATOM 84 O PRO A 9 7.944 16.124 17.189 1.00 0.00 O ATOM 85 CB PRO A 9 9.118 19.179 16.775 1.00 0.00 C ATOM 86 CG PRO A 9 9.630 18.697 15.461 1.00 0.00 C ATOM 87 CD PRO A 9 10.774 17.773 15.776 1.00 0.00 C ATOM 0 HA PRO A 9 9.563 18.306 18.754 1.00 0.00 H new ATOM 0 HB2 PRO A 9 8.064 19.450 16.714 1.00 0.00 H new ATOM 0 HB3 PRO A 9 9.657 20.066 17.109 1.00 0.00 H new ATOM 0 HG2 PRO A 9 8.850 18.177 14.905 1.00 0.00 H new ATOM 0 HG3 PRO A 9 9.961 19.531 14.842 1.00 0.00 H new ATOM 0 HD2 PRO A 9 10.850 16.965 15.049 1.00 0.00 H new ATOM 0 HD3 PRO A 9 11.729 18.299 15.769 1.00 0.00 H new ATOM 95 N ALA A 10 7.127 17.618 18.660 1.00 0.00 N ATOM 96 CA ALA A 10 5.868 16.909 18.848 1.00 0.00 C ATOM 97 C ALA A 10 4.687 17.751 18.378 1.00 0.00 C ATOM 98 O ALA A 10 3.665 17.840 19.058 1.00 0.00 O ATOM 99 CB ALA A 10 5.694 16.522 20.309 1.00 0.00 C ATOM 0 H ALA A 10 7.214 18.475 19.206 1.00 0.00 H new ATOM 0 HA ALA A 10 5.897 16.002 18.244 1.00 0.00 H new ATOM 0 HB1 ALA A 10 4.749 15.993 20.435 1.00 0.00 H new ATOM 0 HB2 ALA A 10 6.516 15.875 20.614 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.692 17.421 20.926 1.00 0.00 H new ATOM 105 N HIS A 11 4.835 18.369 17.210 1.00 0.00 N ATOM 106 CA HIS A 11 3.780 19.205 16.648 1.00 0.00 C ATOM 107 C HIS A 11 2.451 18.457 16.620 1.00 0.00 C ATOM 108 O HIS A 11 1.394 19.039 16.858 1.00 0.00 O ATOM 109 CB HIS A 11 4.155 19.657 15.236 1.00 0.00 C ATOM 110 CG HIS A 11 4.198 18.538 14.242 1.00 0.00 C ATOM 111 ND1 HIS A 11 5.317 17.759 14.033 1.00 0.00 N ATOM 112 CD2 HIS A 11 3.251 18.068 13.397 1.00 0.00 C ATOM 113 CE1 HIS A 11 5.056 16.859 13.101 1.00 0.00 C ATOM 114 NE2 HIS A 11 3.809 17.025 12.699 1.00 0.00 N ATOM 0 H HIS A 11 5.675 18.307 16.635 1.00 0.00 H new ATOM 0 HA HIS A 11 3.669 20.083 17.284 1.00 0.00 H new ATOM 0 HB2 HIS A 11 3.436 20.404 14.899 1.00 0.00 H new ATOM 0 HB3 HIS A 11 5.130 20.144 15.266 1.00 0.00 H new ATOM 0 HD1 HIS A 11 6.207 17.862 14.521 1.00 0.00 H new ATOM 0 HD2 HIS A 11 2.244 18.443 13.291 1.00 0.00 H new ATOM 0 HE1 HIS A 11 5.745 16.114 12.731 1.00 0.00 H new ATOM 122 N GLY A 12 2.513 17.161 16.325 1.00 0.00 N ATOM 123 CA GLY A 12 1.308 16.355 16.270 1.00 0.00 C ATOM 124 C GLY A 12 1.519 14.959 16.822 1.00 0.00 C ATOM 125 O GLY A 12 2.193 14.781 17.836 1.00 0.00 O ATOM 0 H GLY A 12 3.376 16.656 16.123 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.517 16.850 16.834 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.967 16.286 15.237 1.00 0.00 H new ATOM 129 N ARG A 13 0.939 13.967 16.155 1.00 0.00 N ATOM 130 CA ARG A 13 1.064 12.580 16.587 1.00 0.00 C ATOM 131 C ARG A 13 1.745 11.736 15.513 1.00 0.00 C ATOM 132 O ARG A 13 2.006 12.212 14.409 1.00 0.00 O ATOM 133 CB ARG A 13 -0.313 11.998 16.911 1.00 0.00 C ATOM 134 CG ARG A 13 -1.098 11.569 15.682 1.00 0.00 C ATOM 135 CD ARG A 13 -2.576 11.398 15.996 1.00 0.00 C ATOM 136 NE ARG A 13 -3.307 12.658 15.888 1.00 0.00 N ATOM 137 CZ ARG A 13 -3.796 13.128 14.745 1.00 0.00 C ATOM 138 NH1 ARG A 13 -3.632 12.446 13.620 1.00 0.00 N ATOM 139 NH2 ARG A 13 -4.450 14.282 14.727 1.00 0.00 N ATOM 0 H ARG A 13 0.378 14.098 15.313 1.00 0.00 H new ATOM 0 HA ARG A 13 1.680 12.560 17.486 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.189 11.139 17.570 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.892 12.741 17.460 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.976 12.312 14.894 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -0.695 10.631 15.301 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.010 10.667 15.313 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.689 10.998 17.004 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.450 13.207 16.736 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.130 11.558 13.630 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.008 12.809 12.744 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.578 14.809 15.591 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -4.825 14.642 13.849 1.00 0.00 H new ATOM 153 N GLN A 14 2.030 10.481 15.847 1.00 0.00 N ATOM 154 CA GLN A 14 2.681 9.572 14.912 1.00 0.00 C ATOM 155 C GLN A 14 1.755 8.418 14.540 1.00 0.00 C ATOM 156 O GLN A 14 2.128 7.249 14.649 1.00 0.00 O ATOM 157 CB GLN A 14 3.977 9.027 15.515 1.00 0.00 C ATOM 158 CG GLN A 14 4.904 8.391 14.493 1.00 0.00 C ATOM 159 CD GLN A 14 5.977 7.532 15.133 1.00 0.00 C ATOM 160 OE1 GLN A 14 5.892 7.188 16.312 1.00 0.00 O ATOM 161 NE2 GLN A 14 6.994 7.179 14.356 1.00 0.00 N ATOM 0 H GLN A 14 1.820 10.071 16.757 1.00 0.00 H new ATOM 0 HA GLN A 14 2.917 10.131 14.007 1.00 0.00 H new ATOM 0 HB2 GLN A 14 4.504 9.839 16.016 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.730 8.289 16.278 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.317 7.781 13.806 1.00 0.00 H new ATOM 0 HG3 GLN A 14 5.377 9.174 13.900 1.00 0.00 H new ATOM 0 HE21 GLN A 14 7.024 7.487 13.384 1.00 0.00 H new ATOM 0 HE22 GLN A 14 7.745 6.600 14.731 1.00 0.00 H new ATOM 170 N HIS A 15 0.546 8.753 14.102 1.00 0.00 N ATOM 171 CA HIS A 15 -0.433 7.744 13.714 1.00 0.00 C ATOM 172 C HIS A 15 -1.009 8.049 12.334 1.00 0.00 C ATOM 173 O HIS A 15 -1.455 9.166 12.067 1.00 0.00 O ATOM 174 CB HIS A 15 -1.560 7.674 14.745 1.00 0.00 C ATOM 175 CG HIS A 15 -1.078 7.425 16.141 1.00 0.00 C ATOM 176 ND1 HIS A 15 -0.149 8.227 16.771 1.00 0.00 N ATOM 177 CD2 HIS A 15 -1.404 6.459 17.031 1.00 0.00 C ATOM 178 CE1 HIS A 15 0.077 7.763 17.987 1.00 0.00 C ATOM 179 NE2 HIS A 15 -0.672 6.691 18.170 1.00 0.00 N ATOM 0 H HIS A 15 0.221 9.715 14.007 1.00 0.00 H new ATOM 0 HA HIS A 15 0.073 6.779 13.673 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -2.120 8.609 14.724 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -2.252 6.881 14.461 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -2.108 5.655 16.875 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.759 8.188 18.709 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -0.702 6.127 19.019 1.00 0.00 H new ATOM 187 N THR A 16 -0.997 7.048 11.459 1.00 0.00 N ATOM 188 CA THR A 16 -1.516 7.209 10.106 1.00 0.00 C ATOM 189 C THR A 16 -2.775 6.375 9.898 1.00 0.00 C ATOM 190 O THR A 16 -2.797 5.169 10.143 1.00 0.00 O ATOM 191 CB THR A 16 -0.468 6.809 9.051 1.00 0.00 C ATOM 192 OG1 THR A 16 -1.029 6.916 7.738 1.00 0.00 O ATOM 193 CG2 THR A 16 0.020 5.387 9.285 1.00 0.00 C ATOM 0 H THR A 16 -0.633 6.117 11.663 1.00 0.00 H new ATOM 0 HA THR A 16 -1.758 8.265 9.984 1.00 0.00 H new ATOM 0 HB THR A 16 0.381 7.487 9.139 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.511 7.561 7.213 1.00 0.00 H new ATOM 0 HG21 THR A 16 0.759 5.127 8.528 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.473 5.316 10.274 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.822 4.698 9.221 1.00 0.00 H new ATOM 201 N PRO A 17 -3.849 7.030 9.433 1.00 0.00 N ATOM 202 CA PRO A 17 -5.132 6.367 9.180 1.00 0.00 C ATOM 203 C PRO A 17 -5.070 5.421 7.985 1.00 0.00 C ATOM 204 O PRO A 17 -4.116 5.450 7.207 1.00 0.00 O ATOM 205 CB PRO A 17 -6.082 7.531 8.891 1.00 0.00 C ATOM 206 CG PRO A 17 -5.202 8.624 8.392 1.00 0.00 C ATOM 207 CD PRO A 17 -3.895 8.468 9.119 1.00 0.00 C ATOM 0 HA PRO A 17 -5.442 5.745 10.020 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.831 7.256 8.148 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.620 7.835 9.789 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.060 8.549 7.314 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -5.644 9.601 8.588 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -3.051 8.771 8.499 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.862 9.078 10.022 1.00 0.00 H new ATOM 215 N CYS A 18 -6.092 4.585 7.845 1.00 0.00 N ATOM 216 CA CYS A 18 -6.155 3.630 6.745 1.00 0.00 C ATOM 217 C CYS A 18 -6.607 4.312 5.457 1.00 0.00 C ATOM 218 O CYS A 18 -7.140 5.423 5.484 1.00 0.00 O ATOM 219 CB CYS A 18 -7.108 2.484 7.090 1.00 0.00 C ATOM 220 SG CYS A 18 -7.100 1.121 5.881 1.00 0.00 S ATOM 0 H CYS A 18 -6.889 4.549 8.480 1.00 0.00 H new ATOM 0 HA CYS A 18 -5.154 3.227 6.590 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -6.843 2.088 8.070 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.121 2.879 7.169 1.00 0.00 H new ATOM 225 N LEU A 19 -6.392 3.641 4.331 1.00 0.00 N ATOM 226 CA LEU A 19 -6.778 4.182 3.032 1.00 0.00 C ATOM 227 C LEU A 19 -8.239 3.869 2.725 1.00 0.00 C ATOM 228 O LEU A 19 -8.981 4.728 2.248 1.00 0.00 O ATOM 229 CB LEU A 19 -5.880 3.611 1.933 1.00 0.00 C ATOM 230 CG LEU A 19 -4.374 3.738 2.164 1.00 0.00 C ATOM 231 CD1 LEU A 19 -4.063 4.971 2.997 1.00 0.00 C ATOM 232 CD2 LEU A 19 -3.830 2.486 2.837 1.00 0.00 C ATOM 0 H LEU A 19 -5.953 2.721 4.291 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.657 5.265 3.066 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.120 2.555 1.807 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.127 4.108 0.995 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.886 3.847 1.196 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.986 5.044 3.151 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.416 5.861 2.476 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.563 4.893 3.963 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.757 2.594 2.994 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.325 2.345 3.798 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.019 1.620 2.202 1.00 0.00 H new ATOM 244 N PHE A 20 -8.646 2.635 3.003 1.00 0.00 N ATOM 245 CA PHE A 20 -10.019 2.209 2.757 1.00 0.00 C ATOM 246 C PHE A 20 -10.927 2.604 3.918 1.00 0.00 C ATOM 247 O PHE A 20 -12.019 3.135 3.715 1.00 0.00 O ATOM 248 CB PHE A 20 -10.075 0.696 2.542 1.00 0.00 C ATOM 249 CG PHE A 20 -9.176 0.212 1.440 1.00 0.00 C ATOM 250 CD1 PHE A 20 -9.629 0.159 0.132 1.00 0.00 C ATOM 251 CD2 PHE A 20 -7.878 -0.187 1.712 1.00 0.00 C ATOM 252 CE1 PHE A 20 -8.804 -0.286 -0.884 1.00 0.00 C ATOM 253 CE2 PHE A 20 -7.048 -0.633 0.701 1.00 0.00 C ATOM 254 CZ PHE A 20 -7.511 -0.681 -0.599 1.00 0.00 C ATOM 0 H PHE A 20 -8.045 1.912 3.399 1.00 0.00 H new ATOM 0 HA PHE A 20 -10.373 2.710 1.856 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -9.800 0.195 3.470 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -11.101 0.407 2.316 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -10.638 0.469 -0.097 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.510 -0.149 2.727 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -9.170 -0.325 -1.899 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.039 -0.944 0.927 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.864 -1.027 -1.391 1.00 0.00 H new ATOM 264 N CYS A 21 -10.467 2.340 5.137 1.00 0.00 N ATOM 265 CA CYS A 21 -11.236 2.665 6.332 1.00 0.00 C ATOM 266 C CYS A 21 -10.596 3.824 7.091 1.00 0.00 C ATOM 267 O CYS A 21 -9.621 4.418 6.632 1.00 0.00 O ATOM 268 CB CYS A 21 -11.344 1.441 7.243 1.00 0.00 C ATOM 269 SG CYS A 21 -9.813 1.053 8.151 1.00 0.00 S ATOM 0 H CYS A 21 -9.565 1.902 5.323 1.00 0.00 H new ATOM 0 HA CYS A 21 -12.236 2.966 6.020 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -12.148 1.605 7.961 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -11.626 0.577 6.641 1.00 0.00 H new ATOM 274 N ASP A 22 -11.153 4.139 8.256 1.00 0.00 N ATOM 275 CA ASP A 22 -10.637 5.225 9.081 1.00 0.00 C ATOM 276 C ASP A 22 -9.927 4.680 10.316 1.00 0.00 C ATOM 277 O ASP A 22 -10.131 5.169 11.427 1.00 0.00 O ATOM 278 CB ASP A 22 -11.773 6.160 9.500 1.00 0.00 C ATOM 279 CG ASP A 22 -12.990 5.405 9.997 1.00 0.00 C ATOM 280 OD1 ASP A 22 -12.837 4.233 10.402 1.00 0.00 O ATOM 281 OD2 ASP A 22 -14.095 5.985 9.980 1.00 0.00 O ATOM 0 H ASP A 22 -11.961 3.658 8.650 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.915 5.787 8.488 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.419 6.829 10.284 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -12.057 6.784 8.653 1.00 0.00 H new ATOM 286 N ARG A 23 -9.095 3.664 10.114 1.00 0.00 N ATOM 287 CA ARG A 23 -8.357 3.050 11.211 1.00 0.00 C ATOM 288 C ARG A 23 -6.973 3.676 11.353 1.00 0.00 C ATOM 289 O ARG A 23 -6.199 3.721 10.395 1.00 0.00 O ATOM 290 CB ARG A 23 -8.227 1.543 10.987 1.00 0.00 C ATOM 291 CG ARG A 23 -9.497 0.768 11.299 1.00 0.00 C ATOM 292 CD ARG A 23 -9.337 -0.712 10.989 1.00 0.00 C ATOM 293 NE ARG A 23 -10.324 -1.528 11.691 1.00 0.00 N ATOM 294 CZ ARG A 23 -10.206 -1.893 12.962 1.00 0.00 C ATOM 295 NH1 ARG A 23 -9.148 -1.517 13.668 1.00 0.00 N ATOM 296 NH2 ARG A 23 -11.147 -2.636 13.531 1.00 0.00 N ATOM 0 H ARG A 23 -8.915 3.248 9.200 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.912 3.226 12.132 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -7.947 1.362 9.949 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.417 1.161 11.608 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -9.753 0.895 12.351 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.325 1.175 10.718 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.434 -0.870 9.915 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.334 -1.035 11.269 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.150 -1.834 11.176 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.422 -0.946 13.235 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.060 -1.799 14.644 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.962 -2.927 12.992 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.055 -2.916 14.508 1.00 0.00 H new ATOM 310 N LEU A 24 -6.667 4.158 12.552 1.00 0.00 N ATOM 311 CA LEU A 24 -5.376 4.782 12.820 1.00 0.00 C ATOM 312 C LEU A 24 -4.356 3.747 13.283 1.00 0.00 C ATOM 313 O LEU A 24 -4.668 2.871 14.090 1.00 0.00 O ATOM 314 CB LEU A 24 -5.525 5.877 13.878 1.00 0.00 C ATOM 315 CG LEU A 24 -6.203 7.168 13.417 1.00 0.00 C ATOM 316 CD1 LEU A 24 -6.693 7.969 14.613 1.00 0.00 C ATOM 317 CD2 LEU A 24 -5.250 7.998 12.570 1.00 0.00 C ATOM 0 H LEU A 24 -7.296 4.129 13.355 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.018 5.229 11.893 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.093 5.471 14.715 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.534 6.126 14.256 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.065 6.905 12.804 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.173 8.884 14.266 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.411 7.375 15.179 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.847 8.222 15.252 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.749 8.913 12.251 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.368 8.252 13.158 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.949 7.424 11.693 1.00 0.00 H new ATOM 329 N PHE A 25 -3.135 3.855 12.770 1.00 0.00 N ATOM 330 CA PHE A 25 -2.069 2.929 13.132 1.00 0.00 C ATOM 331 C PHE A 25 -0.814 3.685 13.559 1.00 0.00 C ATOM 332 O PHE A 25 -0.525 4.767 13.050 1.00 0.00 O ATOM 333 CB PHE A 25 -1.746 2.005 11.956 1.00 0.00 C ATOM 334 CG PHE A 25 -2.916 1.178 11.503 1.00 0.00 C ATOM 335 CD1 PHE A 25 -3.880 1.718 10.668 1.00 0.00 C ATOM 336 CD2 PHE A 25 -3.050 -0.138 11.914 1.00 0.00 C ATOM 337 CE1 PHE A 25 -4.958 0.960 10.251 1.00 0.00 C ATOM 338 CE2 PHE A 25 -4.126 -0.901 11.500 1.00 0.00 C ATOM 339 CZ PHE A 25 -5.080 -0.352 10.666 1.00 0.00 C ATOM 0 H PHE A 25 -2.859 4.575 12.102 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.414 2.328 13.973 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.391 2.606 11.119 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.930 1.340 12.240 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.788 2.743 10.339 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -2.306 -0.573 12.565 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.704 1.393 9.601 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.220 -1.925 11.829 1.00 0.00 H new ATOM 0 HZ PHE A 25 -5.920 -0.947 10.339 1.00 0.00 H new ATOM 349 N ALA A 26 -0.073 3.105 14.498 1.00 0.00 N ATOM 350 CA ALA A 26 1.151 3.722 14.993 1.00 0.00 C ATOM 351 C ALA A 26 2.216 3.781 13.903 1.00 0.00 C ATOM 352 O ALA A 26 2.919 4.782 13.762 1.00 0.00 O ATOM 353 CB ALA A 26 1.673 2.962 16.203 1.00 0.00 C ATOM 0 H ALA A 26 -0.299 2.209 14.931 1.00 0.00 H new ATOM 0 HA ALA A 26 0.918 4.744 15.292 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.588 3.434 16.562 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.923 2.977 16.993 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.883 1.930 15.922 1.00 0.00 H new ATOM 359 N SER A 27 2.331 2.703 13.135 1.00 0.00 N ATOM 360 CA SER A 27 3.314 2.630 12.061 1.00 0.00 C ATOM 361 C SER A 27 2.635 2.365 10.720 1.00 0.00 C ATOM 362 O SER A 27 1.481 1.940 10.670 1.00 0.00 O ATOM 363 CB SER A 27 4.339 1.533 12.352 1.00 0.00 C ATOM 364 OG SER A 27 3.702 0.338 12.770 1.00 0.00 O ATOM 0 H SER A 27 1.755 1.867 13.237 1.00 0.00 H new ATOM 0 HA SER A 27 3.827 3.590 12.006 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.932 1.339 11.459 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.029 1.871 13.126 1.00 0.00 H new ATOM 0 HG SER A 27 3.112 0.530 13.528 1.00 0.00 H new ATOM 370 N ALA A 28 3.360 2.620 9.636 1.00 0.00 N ATOM 371 CA ALA A 28 2.830 2.407 8.295 1.00 0.00 C ATOM 372 C ALA A 28 2.693 0.920 7.989 1.00 0.00 C ATOM 373 O ALA A 28 1.789 0.508 7.262 1.00 0.00 O ATOM 374 CB ALA A 28 3.722 3.081 7.262 1.00 0.00 C ATOM 0 H ALA A 28 4.316 2.974 9.660 1.00 0.00 H new ATOM 0 HA ALA A 28 1.837 2.854 8.248 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.314 2.914 6.265 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.765 4.152 7.462 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.726 2.661 7.319 1.00 0.00 H new ATOM 380 N GLU A 29 3.595 0.119 8.547 1.00 0.00 N ATOM 381 CA GLU A 29 3.574 -1.323 8.331 1.00 0.00 C ATOM 382 C GLU A 29 2.319 -1.945 8.935 1.00 0.00 C ATOM 383 O GLU A 29 1.667 -2.782 8.311 1.00 0.00 O ATOM 384 CB GLU A 29 4.821 -1.970 8.937 1.00 0.00 C ATOM 385 CG GLU A 29 6.079 -1.758 8.113 1.00 0.00 C ATOM 386 CD GLU A 29 6.808 -0.480 8.480 1.00 0.00 C ATOM 387 OE1 GLU A 29 6.135 0.489 8.890 1.00 0.00 O ATOM 388 OE2 GLU A 29 8.050 -0.448 8.356 1.00 0.00 O ATOM 0 H GLU A 29 4.349 0.444 9.152 1.00 0.00 H new ATOM 0 HA GLU A 29 3.566 -1.504 7.256 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.980 -1.566 9.937 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.647 -3.040 9.049 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.748 -2.607 8.254 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.816 -1.731 7.056 1.00 0.00 H new ATOM 395 N GLU A 30 1.987 -1.530 10.153 1.00 0.00 N ATOM 396 CA GLU A 30 0.811 -2.048 10.843 1.00 0.00 C ATOM 397 C GLU A 30 -0.426 -1.951 9.955 1.00 0.00 C ATOM 398 O GLU A 30 -1.194 -2.906 9.832 1.00 0.00 O ATOM 399 CB GLU A 30 0.578 -1.281 12.146 1.00 0.00 C ATOM 400 CG GLU A 30 1.390 -1.810 13.317 1.00 0.00 C ATOM 401 CD GLU A 30 1.482 -0.817 14.459 1.00 0.00 C ATOM 402 OE1 GLU A 30 1.432 0.401 14.190 1.00 0.00 O ATOM 403 OE2 GLU A 30 1.603 -1.258 15.621 1.00 0.00 O ATOM 0 H GLU A 30 2.515 -0.837 10.683 1.00 0.00 H new ATOM 0 HA GLU A 30 0.990 -3.098 11.075 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.824 -0.231 11.989 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.481 -1.325 12.400 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.939 -2.734 13.679 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.395 -2.059 12.975 1.00 0.00 H new ATOM 410 N THR A 31 -0.615 -0.789 9.337 1.00 0.00 N ATOM 411 CA THR A 31 -1.759 -0.565 8.462 1.00 0.00 C ATOM 412 C THR A 31 -1.753 -1.540 7.289 1.00 0.00 C ATOM 413 O THR A 31 -2.684 -2.328 7.120 1.00 0.00 O ATOM 414 CB THR A 31 -1.776 0.875 7.917 1.00 0.00 C ATOM 415 OG1 THR A 31 -1.415 1.795 8.953 1.00 0.00 O ATOM 416 CG2 THR A 31 -3.151 1.231 7.372 1.00 0.00 C ATOM 0 H THR A 31 0.010 0.012 9.427 1.00 0.00 H new ATOM 0 HA THR A 31 -2.653 -0.729 9.063 1.00 0.00 H new ATOM 0 HB THR A 31 -1.052 0.941 7.105 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.216 2.052 9.456 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.139 2.253 6.993 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.410 0.547 6.564 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.891 1.149 8.168 1.00 0.00 H new ATOM 424 N PHE A 32 -0.698 -1.482 6.483 1.00 0.00 N ATOM 425 CA PHE A 32 -0.572 -2.360 5.325 1.00 0.00 C ATOM 426 C PHE A 32 -1.027 -3.776 5.665 1.00 0.00 C ATOM 427 O PHE A 32 -1.921 -4.324 5.019 1.00 0.00 O ATOM 428 CB PHE A 32 0.876 -2.382 4.831 1.00 0.00 C ATOM 429 CG PHE A 32 1.366 -1.046 4.350 1.00 0.00 C ATOM 430 CD1 PHE A 32 0.547 -0.226 3.592 1.00 0.00 C ATOM 431 CD2 PHE A 32 2.645 -0.611 4.658 1.00 0.00 C ATOM 432 CE1 PHE A 32 0.996 1.004 3.147 1.00 0.00 C ATOM 433 CE2 PHE A 32 3.099 0.618 4.217 1.00 0.00 C ATOM 434 CZ PHE A 32 2.273 1.427 3.461 1.00 0.00 C ATOM 0 H PHE A 32 0.082 -0.837 6.610 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.213 -1.971 4.533 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.522 -2.728 5.638 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.964 -3.106 4.021 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.453 -0.551 3.346 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.295 -1.239 5.249 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.349 1.633 2.554 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.098 0.945 4.463 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.625 2.388 3.116 1.00 0.00 H new ATOM 444 N SER A 33 -0.405 -4.364 6.682 1.00 0.00 N ATOM 445 CA SER A 33 -0.742 -5.718 7.105 1.00 0.00 C ATOM 446 C SER A 33 -2.237 -5.843 7.385 1.00 0.00 C ATOM 447 O SER A 33 -2.870 -6.829 7.008 1.00 0.00 O ATOM 448 CB SER A 33 0.056 -6.098 8.354 1.00 0.00 C ATOM 449 OG SER A 33 0.263 -7.498 8.420 1.00 0.00 O ATOM 0 H SER A 33 0.335 -3.924 7.228 1.00 0.00 H new ATOM 0 HA SER A 33 -0.483 -6.401 6.296 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.018 -5.585 8.345 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.476 -5.763 9.245 1.00 0.00 H new ATOM 0 HG SER A 33 0.777 -7.715 9.226 1.00 0.00 H new ATOM 455 N HIS A 34 -2.795 -4.836 8.049 1.00 0.00 N ATOM 456 CA HIS A 34 -4.215 -4.831 8.380 1.00 0.00 C ATOM 457 C HIS A 34 -5.067 -4.920 7.118 1.00 0.00 C ATOM 458 O HIS A 34 -5.959 -5.764 7.017 1.00 0.00 O ATOM 459 CB HIS A 34 -4.574 -3.569 9.164 1.00 0.00 C ATOM 460 CG HIS A 34 -5.964 -3.075 8.901 1.00 0.00 C ATOM 461 ND1 HIS A 34 -7.093 -3.745 9.323 1.00 0.00 N ATOM 462 CD2 HIS A 34 -6.403 -1.969 8.256 1.00 0.00 C ATOM 463 CE1 HIS A 34 -8.167 -3.074 8.947 1.00 0.00 C ATOM 464 NE2 HIS A 34 -7.776 -1.992 8.298 1.00 0.00 N ATOM 0 H HIS A 34 -2.285 -4.013 8.369 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.421 -5.704 8.999 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.464 -3.770 10.230 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.864 -2.781 8.913 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -7.098 -4.622 9.844 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.789 -1.210 7.794 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -9.190 -3.361 9.138 1.00 0.00 H new ATOM 472 N CYS A 35 -4.787 -4.046 6.158 1.00 0.00 N ATOM 473 CA CYS A 35 -5.529 -4.025 4.902 1.00 0.00 C ATOM 474 C CYS A 35 -5.380 -5.349 4.160 1.00 0.00 C ATOM 475 O CYS A 35 -6.293 -5.787 3.459 1.00 0.00 O ATOM 476 CB CYS A 35 -5.045 -2.874 4.019 1.00 0.00 C ATOM 477 SG CYS A 35 -5.069 -1.259 4.832 1.00 0.00 S ATOM 0 H CYS A 35 -4.052 -3.342 6.225 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.584 -3.877 5.134 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.029 -3.087 3.688 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.668 -2.829 3.126 1.00 0.00 H new ATOM 0 HG CYS A 35 -6.298 -0.854 4.956 1.00 0.00 H new ATOM 483 N LYS A 36 -4.223 -5.982 4.318 1.00 0.00 N ATOM 484 CA LYS A 36 -3.952 -7.257 3.664 1.00 0.00 C ATOM 485 C LYS A 36 -4.735 -8.386 4.326 1.00 0.00 C ATOM 486 O LYS A 36 -4.947 -9.442 3.729 1.00 0.00 O ATOM 487 CB LYS A 36 -2.454 -7.568 3.706 1.00 0.00 C ATOM 488 CG LYS A 36 -1.625 -6.689 2.786 1.00 0.00 C ATOM 489 CD LYS A 36 -0.150 -6.738 3.149 1.00 0.00 C ATOM 490 CE LYS A 36 0.626 -5.613 2.481 1.00 0.00 C ATOM 491 NZ LYS A 36 2.084 -5.695 2.775 1.00 0.00 N ATOM 0 H LYS A 36 -3.457 -5.633 4.894 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.271 -7.178 2.625 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.095 -7.450 4.728 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.300 -8.612 3.433 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.758 -7.014 1.754 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.981 -5.661 2.845 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.038 -6.666 4.231 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.268 -7.699 2.848 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.470 -5.654 1.403 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.240 -4.653 2.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.624 -5.509 1.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.333 -4.988 3.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.314 -6.646 3.129 1.00 0.00 H new ATOM 505 N LEU A 37 -5.164 -8.156 5.562 1.00 0.00 N ATOM 506 CA LEU A 37 -5.926 -9.154 6.306 1.00 0.00 C ATOM 507 C LEU A 37 -7.425 -8.935 6.131 1.00 0.00 C ATOM 508 O LEU A 37 -8.171 -9.875 5.858 1.00 0.00 O ATOM 509 CB LEU A 37 -5.561 -9.101 7.790 1.00 0.00 C ATOM 510 CG LEU A 37 -4.089 -9.341 8.128 1.00 0.00 C ATOM 511 CD1 LEU A 37 -3.725 -8.664 9.440 1.00 0.00 C ATOM 512 CD2 LEU A 37 -3.793 -10.832 8.195 1.00 0.00 C ATOM 0 H LEU A 37 -4.997 -7.288 6.070 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.672 -10.138 5.911 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.848 -8.124 8.180 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.160 -9.843 8.318 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.479 -8.905 7.337 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.674 -8.846 9.664 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.898 -7.591 9.356 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.342 -9.069 10.242 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.741 -10.984 8.437 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.412 -11.292 8.965 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.014 -11.290 7.231 1.00 0.00 H new ATOM 524 N GLU A 38 -7.859 -7.688 6.290 1.00 0.00 N ATOM 525 CA GLU A 38 -9.269 -7.347 6.148 1.00 0.00 C ATOM 526 C GLU A 38 -9.610 -7.034 4.694 1.00 0.00 C ATOM 527 O GLU A 38 -10.349 -7.774 4.044 1.00 0.00 O ATOM 528 CB GLU A 38 -9.619 -6.150 7.035 1.00 0.00 C ATOM 529 CG GLU A 38 -9.303 -6.369 8.505 1.00 0.00 C ATOM 530 CD GLU A 38 -10.182 -5.539 9.420 1.00 0.00 C ATOM 531 OE1 GLU A 38 -11.312 -5.200 9.009 1.00 0.00 O ATOM 532 OE2 GLU A 38 -9.741 -5.229 10.546 1.00 0.00 O ATOM 0 H GLU A 38 -7.254 -6.898 6.517 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.858 -8.208 6.463 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.074 -5.275 6.681 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -10.681 -5.928 6.929 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.428 -7.425 8.746 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.257 -6.122 8.689 1.00 0.00 H new ATOM 539 N HIS A 39 -9.066 -5.931 4.189 1.00 0.00 N ATOM 540 CA HIS A 39 -9.312 -5.518 2.812 1.00 0.00 C ATOM 541 C HIS A 39 -8.550 -6.408 1.834 1.00 0.00 C ATOM 542 O HIS A 39 -8.574 -6.179 0.626 1.00 0.00 O ATOM 543 CB HIS A 39 -8.905 -4.058 2.615 1.00 0.00 C ATOM 544 CG HIS A 39 -9.432 -3.140 3.674 1.00 0.00 C ATOM 545 ND1 HIS A 39 -10.676 -3.292 4.250 1.00 0.00 N ATOM 546 CD2 HIS A 39 -8.877 -2.055 4.262 1.00 0.00 C ATOM 547 CE1 HIS A 39 -10.863 -2.340 5.146 1.00 0.00 C ATOM 548 NE2 HIS A 39 -9.786 -1.576 5.173 1.00 0.00 N ATOM 0 H HIS A 39 -8.452 -5.307 4.713 1.00 0.00 H new ATOM 0 HA HIS A 39 -10.379 -5.620 2.613 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.817 -3.992 2.598 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -9.261 -3.719 1.642 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -11.347 -4.025 4.020 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -7.901 -1.643 4.054 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.746 -2.209 5.753 1.00 0.00 H new ATOM 556 N GLN A 40 -7.876 -7.422 2.367 1.00 0.00 N ATOM 557 CA GLN A 40 -7.106 -8.344 1.540 1.00 0.00 C ATOM 558 C GLN A 40 -6.424 -7.607 0.392 1.00 0.00 C ATOM 559 O GLN A 40 -6.376 -8.102 -0.734 1.00 0.00 O ATOM 560 CB GLN A 40 -8.013 -9.446 0.988 1.00 0.00 C ATOM 561 CG GLN A 40 -9.155 -8.922 0.133 1.00 0.00 C ATOM 562 CD GLN A 40 -10.162 -9.999 -0.219 1.00 0.00 C ATOM 563 OE1 GLN A 40 -9.800 -11.065 -0.717 1.00 0.00 O ATOM 564 NE2 GLN A 40 -11.436 -9.726 0.040 1.00 0.00 N ATOM 0 H GLN A 40 -7.847 -7.626 3.366 1.00 0.00 H new ATOM 0 HA GLN A 40 -6.336 -8.796 2.165 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -7.413 -10.136 0.395 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -8.425 -10.017 1.820 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -9.661 -8.116 0.664 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -8.750 -8.494 -0.784 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -11.692 -8.829 0.453 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -12.159 -10.413 -0.175 1.00 0.00 H new ATOM 573 N PHE A 41 -5.899 -6.422 0.685 1.00 0.00 N ATOM 574 CA PHE A 41 -5.221 -5.616 -0.323 1.00 0.00 C ATOM 575 C PHE A 41 -3.776 -5.341 0.082 1.00 0.00 C ATOM 576 O PHE A 41 -3.513 -4.807 1.158 1.00 0.00 O ATOM 577 CB PHE A 41 -5.964 -4.295 -0.535 1.00 0.00 C ATOM 578 CG PHE A 41 -5.107 -3.214 -1.128 1.00 0.00 C ATOM 579 CD1 PHE A 41 -4.926 -3.128 -2.499 1.00 0.00 C ATOM 580 CD2 PHE A 41 -4.481 -2.283 -0.314 1.00 0.00 C ATOM 581 CE1 PHE A 41 -4.137 -2.134 -3.047 1.00 0.00 C ATOM 582 CE2 PHE A 41 -3.692 -1.287 -0.856 1.00 0.00 C ATOM 583 CZ PHE A 41 -3.520 -1.212 -2.225 1.00 0.00 C ATOM 0 H PHE A 41 -5.930 -5.999 1.612 1.00 0.00 H new ATOM 0 HA PHE A 41 -5.217 -6.176 -1.258 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -6.819 -4.469 -1.188 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -6.358 -3.951 0.421 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -5.407 -3.846 -3.147 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.612 -2.337 0.757 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.003 -2.079 -4.117 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.210 -0.568 -0.210 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.904 -0.434 -2.651 1.00 0.00 H new ATOM 593 N ASN A 42 -2.843 -5.711 -0.789 1.00 0.00 N ATOM 594 CA ASN A 42 -1.424 -5.505 -0.523 1.00 0.00 C ATOM 595 C ASN A 42 -0.915 -4.249 -1.224 1.00 0.00 C ATOM 596 O ASN A 42 -1.183 -4.034 -2.406 1.00 0.00 O ATOM 597 CB ASN A 42 -0.616 -6.721 -0.981 1.00 0.00 C ATOM 598 CG ASN A 42 -1.185 -7.354 -2.236 1.00 0.00 C ATOM 599 OD1 ASN A 42 -1.537 -6.659 -3.190 1.00 0.00 O ATOM 600 ND2 ASN A 42 -1.278 -8.678 -2.241 1.00 0.00 N ATOM 0 H ASN A 42 -3.044 -6.155 -1.685 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.297 -5.376 0.552 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.415 -6.420 -1.165 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.594 -7.462 -0.182 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.653 -9.160 -3.058 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.974 -9.214 -1.428 1.00 0.00 H new ATOM 607 N ILE A 43 -0.180 -3.424 -0.487 1.00 0.00 N ATOM 608 CA ILE A 43 0.368 -2.191 -1.038 1.00 0.00 C ATOM 609 C ILE A 43 1.666 -2.455 -1.793 1.00 0.00 C ATOM 610 O ILE A 43 1.984 -1.766 -2.763 1.00 0.00 O ATOM 611 CB ILE A 43 0.632 -1.149 0.066 1.00 0.00 C ATOM 612 CG1 ILE A 43 1.202 0.135 -0.540 1.00 0.00 C ATOM 613 CG2 ILE A 43 1.581 -1.715 1.111 1.00 0.00 C ATOM 614 CD1 ILE A 43 0.212 0.888 -1.401 1.00 0.00 C ATOM 0 H ILE A 43 0.050 -3.587 0.493 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.377 -1.796 -1.729 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.313 -0.909 0.553 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.541 0.787 0.265 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.078 -0.113 -1.140 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.758 -0.968 1.884 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.139 -2.604 1.560 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.527 -1.979 0.638 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.684 1.787 -1.797 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.109 0.253 -2.227 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.654 1.168 -0.800 1.00 0.00 H new ATOM 626 N ASP A 44 2.412 -3.458 -1.343 1.00 0.00 N ATOM 627 CA ASP A 44 3.675 -3.816 -1.977 1.00 0.00 C ATOM 628 C ASP A 44 3.450 -4.280 -3.413 1.00 0.00 C ATOM 629 O ASP A 44 4.212 -3.934 -4.315 1.00 0.00 O ATOM 630 CB ASP A 44 4.379 -4.913 -1.178 1.00 0.00 C ATOM 631 CG ASP A 44 4.635 -4.508 0.260 1.00 0.00 C ATOM 632 OD1 ASP A 44 4.980 -3.330 0.493 1.00 0.00 O ATOM 633 OD2 ASP A 44 4.491 -5.369 1.153 1.00 0.00 O ATOM 0 H ASP A 44 2.164 -4.038 -0.541 1.00 0.00 H new ATOM 0 HA ASP A 44 4.308 -2.929 -1.996 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.771 -5.818 -1.195 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.327 -5.157 -1.658 1.00 0.00 H new ATOM 638 N SER A 45 2.398 -5.067 -3.617 1.00 0.00 N ATOM 639 CA SER A 45 2.075 -5.584 -4.941 1.00 0.00 C ATOM 640 C SER A 45 1.910 -4.444 -5.943 1.00 0.00 C ATOM 641 O SER A 45 2.349 -4.542 -7.088 1.00 0.00 O ATOM 642 CB SER A 45 0.795 -6.420 -4.888 1.00 0.00 C ATOM 643 OG SER A 45 0.792 -7.414 -5.898 1.00 0.00 O ATOM 0 H SER A 45 1.755 -5.360 -2.882 1.00 0.00 H new ATOM 0 HA SER A 45 2.900 -6.217 -5.268 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.705 -6.891 -3.909 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.072 -5.771 -5.010 1.00 0.00 H new ATOM 0 HG SER A 45 -0.036 -7.935 -5.841 1.00 0.00 H new ATOM 649 N MET A 46 1.274 -3.364 -5.502 1.00 0.00 N ATOM 650 CA MET A 46 1.051 -2.205 -6.358 1.00 0.00 C ATOM 651 C MET A 46 2.377 -1.593 -6.799 1.00 0.00 C ATOM 652 O MET A 46 2.589 -1.334 -7.984 1.00 0.00 O ATOM 653 CB MET A 46 0.210 -1.157 -5.627 1.00 0.00 C ATOM 654 CG MET A 46 -1.173 -1.653 -5.236 1.00 0.00 C ATOM 655 SD MET A 46 -2.398 -0.331 -5.194 1.00 0.00 S ATOM 656 CE MET A 46 -3.368 -0.722 -6.648 1.00 0.00 C ATOM 0 H MET A 46 0.904 -3.267 -4.556 1.00 0.00 H new ATOM 0 HA MET A 46 0.511 -2.538 -7.245 1.00 0.00 H new ATOM 0 HB2 MET A 46 0.740 -0.839 -4.729 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.105 -0.278 -6.264 1.00 0.00 H new ATOM 0 HG2 MET A 46 -1.494 -2.418 -5.943 1.00 0.00 H new ATOM 0 HG3 MET A 46 -1.121 -2.127 -4.256 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.676 0.201 -7.139 1.00 0.00 H new ATOM 0 HE2 MET A 46 -2.768 -1.317 -7.337 1.00 0.00 H new ATOM 0 HE3 MET A 46 -4.252 -1.289 -6.354 1.00 0.00 H new ATOM 666 N VAL A 47 3.266 -1.363 -5.838 1.00 0.00 N ATOM 667 CA VAL A 47 4.572 -0.782 -6.128 1.00 0.00 C ATOM 668 C VAL A 47 5.271 -1.535 -7.254 1.00 0.00 C ATOM 669 O VAL A 47 5.859 -0.928 -8.150 1.00 0.00 O ATOM 670 CB VAL A 47 5.477 -0.787 -4.882 1.00 0.00 C ATOM 671 CG1 VAL A 47 6.858 -0.247 -5.223 1.00 0.00 C ATOM 672 CG2 VAL A 47 4.843 0.020 -3.759 1.00 0.00 C ATOM 0 H VAL A 47 3.106 -1.570 -4.852 1.00 0.00 H new ATOM 0 HA VAL A 47 4.398 0.249 -6.438 1.00 0.00 H new ATOM 0 HB VAL A 47 5.589 -1.816 -4.540 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.484 -0.258 -4.330 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.313 -0.871 -5.993 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.768 0.775 -5.591 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.496 0.005 -2.887 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.699 1.049 -4.087 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.879 -0.416 -3.497 1.00 0.00 H new ATOM 682 N HIS A 48 5.203 -2.862 -7.203 1.00 0.00 N ATOM 683 CA HIS A 48 5.829 -3.699 -8.220 1.00 0.00 C ATOM 684 C HIS A 48 4.985 -3.733 -9.491 1.00 0.00 C ATOM 685 O HIS A 48 5.515 -3.722 -10.602 1.00 0.00 O ATOM 686 CB HIS A 48 6.030 -5.119 -7.689 1.00 0.00 C ATOM 687 CG HIS A 48 7.092 -5.220 -6.639 1.00 0.00 C ATOM 688 ND1 HIS A 48 8.430 -5.383 -6.934 1.00 0.00 N ATOM 689 CD2 HIS A 48 7.009 -5.180 -5.288 1.00 0.00 C ATOM 690 CE1 HIS A 48 9.122 -5.440 -5.811 1.00 0.00 C ATOM 691 NE2 HIS A 48 8.284 -5.319 -4.797 1.00 0.00 N ATOM 0 H HIS A 48 4.721 -3.380 -6.468 1.00 0.00 H new ATOM 0 HA HIS A 48 6.801 -3.269 -8.462 1.00 0.00 H new ATOM 0 HB2 HIS A 48 5.088 -5.481 -7.277 1.00 0.00 H new ATOM 0 HB3 HIS A 48 6.288 -5.776 -8.520 1.00 0.00 H new ATOM 0 HD2 HIS A 48 6.108 -5.061 -4.705 1.00 0.00 H new ATOM 0 HE1 HIS A 48 10.192 -5.564 -5.734 1.00 0.00 H new ATOM 0 HE2 HIS A 48 8.542 -5.327 -3.810 1.00 0.00 H new ATOM 699 N LYS A 49 3.668 -3.775 -9.319 1.00 0.00 N ATOM 700 CA LYS A 49 2.750 -3.810 -10.451 1.00 0.00 C ATOM 701 C LYS A 49 3.016 -2.649 -11.404 1.00 0.00 C ATOM 702 O LYS A 49 3.506 -2.846 -12.517 1.00 0.00 O ATOM 703 CB LYS A 49 1.301 -3.759 -9.961 1.00 0.00 C ATOM 704 CG LYS A 49 0.336 -4.545 -10.831 1.00 0.00 C ATOM 705 CD LYS A 49 -0.266 -3.676 -11.923 1.00 0.00 C ATOM 706 CE LYS A 49 0.534 -3.769 -13.213 1.00 0.00 C ATOM 707 NZ LYS A 49 -0.250 -3.297 -14.387 1.00 0.00 N ATOM 0 H LYS A 49 3.213 -3.786 -8.406 1.00 0.00 H new ATOM 0 HA LYS A 49 2.913 -4.744 -10.989 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.257 -4.146 -8.943 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.976 -2.719 -9.921 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.857 -5.389 -11.283 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.461 -4.957 -10.212 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.295 -3.984 -12.109 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.299 -2.639 -11.588 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.443 -3.174 -13.120 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.844 -4.801 -13.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.103 -3.946 -15.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.260 -3.272 -14.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.065 -2.343 -14.654 1.00 0.00 H new ATOM 721 N HIS A 50 2.691 -1.439 -10.961 1.00 0.00 N ATOM 722 CA HIS A 50 2.898 -0.246 -11.775 1.00 0.00 C ATOM 723 C HIS A 50 4.240 0.405 -11.454 1.00 0.00 C ATOM 724 O HIS A 50 4.402 1.617 -11.590 1.00 0.00 O ATOM 725 CB HIS A 50 1.765 0.755 -11.546 1.00 0.00 C ATOM 726 CG HIS A 50 0.405 0.195 -11.828 1.00 0.00 C ATOM 727 ND1 HIS A 50 -0.022 -0.141 -13.096 1.00 0.00 N ATOM 728 CD2 HIS A 50 -0.626 -0.089 -10.998 1.00 0.00 C ATOM 729 CE1 HIS A 50 -1.257 -0.605 -13.033 1.00 0.00 C ATOM 730 NE2 HIS A 50 -1.647 -0.585 -11.771 1.00 0.00 N ATOM 0 H HIS A 50 2.283 -1.258 -10.044 1.00 0.00 H new ATOM 0 HA HIS A 50 2.902 -0.547 -12.823 1.00 0.00 H new ATOM 0 HB2 HIS A 50 1.800 1.100 -10.513 1.00 0.00 H new ATOM 0 HB3 HIS A 50 1.928 1.627 -12.179 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -0.643 0.049 -9.927 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -1.848 -0.943 -13.871 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -2.558 -0.888 -11.427 1.00 0.00 H new ATOM 738 N GLY A 51 5.200 -0.410 -11.026 1.00 0.00 N ATOM 739 CA GLY A 51 6.515 0.105 -10.692 1.00 0.00 C ATOM 740 C GLY A 51 6.456 1.487 -10.072 1.00 0.00 C ATOM 741 O GLY A 51 7.252 2.363 -10.414 1.00 0.00 O ATOM 0 H GLY A 51 5.090 -1.417 -10.905 1.00 0.00 H new ATOM 0 HA2 GLY A 51 7.005 -0.580 -10.000 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.128 0.140 -11.593 1.00 0.00 H new ATOM 745 N LEU A 52 5.512 1.685 -9.159 1.00 0.00 N ATOM 746 CA LEU A 52 5.351 2.972 -8.491 1.00 0.00 C ATOM 747 C LEU A 52 6.680 3.462 -7.927 1.00 0.00 C ATOM 748 O LEU A 52 7.097 3.047 -6.846 1.00 0.00 O ATOM 749 CB LEU A 52 4.317 2.860 -7.369 1.00 0.00 C ATOM 750 CG LEU A 52 2.946 2.316 -7.771 1.00 0.00 C ATOM 751 CD1 LEU A 52 2.119 1.989 -6.538 1.00 0.00 C ATOM 752 CD2 LEU A 52 2.215 3.314 -8.657 1.00 0.00 C ATOM 0 H LEU A 52 4.846 0.971 -8.864 1.00 0.00 H new ATOM 0 HA LEU A 52 5.002 3.695 -9.228 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.726 2.218 -6.588 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.179 3.848 -6.930 1.00 0.00 H new ATOM 0 HG LEU A 52 3.093 1.397 -8.338 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.147 1.603 -6.844 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.636 1.237 -5.942 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.980 2.892 -5.943 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.241 2.910 -8.933 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.079 4.250 -8.115 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.800 3.498 -9.558 1.00 0.00 H new ATOM 764 N GLU A 53 7.339 4.350 -8.665 1.00 0.00 N ATOM 765 CA GLU A 53 8.621 4.898 -8.236 1.00 0.00 C ATOM 766 C GLU A 53 8.458 5.739 -6.973 1.00 0.00 C ATOM 767 O GLU A 53 7.345 5.938 -6.486 1.00 0.00 O ATOM 768 CB GLU A 53 9.237 5.746 -9.351 1.00 0.00 C ATOM 769 CG GLU A 53 9.620 4.945 -10.584 1.00 0.00 C ATOM 770 CD GLU A 53 10.042 5.826 -11.744 1.00 0.00 C ATOM 771 OE1 GLU A 53 9.252 6.712 -12.133 1.00 0.00 O ATOM 772 OE2 GLU A 53 11.161 5.630 -12.261 1.00 0.00 O ATOM 0 H GLU A 53 7.007 4.705 -9.562 1.00 0.00 H new ATOM 0 HA GLU A 53 9.287 4.065 -8.013 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.529 6.523 -9.638 1.00 0.00 H new ATOM 0 HB3 GLU A 53 10.123 6.250 -8.965 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.435 4.266 -10.333 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.774 4.329 -10.889 1.00 0.00 H new ATOM 779 N PHE A 54 9.576 6.229 -6.448 1.00 0.00 N ATOM 780 CA PHE A 54 9.558 7.047 -5.241 1.00 0.00 C ATOM 781 C PHE A 54 8.298 7.905 -5.183 1.00 0.00 C ATOM 782 O PHE A 54 7.564 7.884 -4.195 1.00 0.00 O ATOM 783 CB PHE A 54 10.799 7.941 -5.187 1.00 0.00 C ATOM 784 CG PHE A 54 10.681 9.072 -4.206 1.00 0.00 C ATOM 785 CD1 PHE A 54 10.069 10.261 -4.569 1.00 0.00 C ATOM 786 CD2 PHE A 54 11.182 8.946 -2.920 1.00 0.00 C ATOM 787 CE1 PHE A 54 9.960 11.303 -3.668 1.00 0.00 C ATOM 788 CE2 PHE A 54 11.076 9.986 -2.015 1.00 0.00 C ATOM 789 CZ PHE A 54 10.463 11.165 -2.389 1.00 0.00 C ATOM 0 H PHE A 54 10.505 6.074 -6.839 1.00 0.00 H new ATOM 0 HA PHE A 54 9.561 6.379 -4.380 1.00 0.00 H new ATOM 0 HB2 PHE A 54 11.664 7.332 -4.925 1.00 0.00 H new ATOM 0 HB3 PHE A 54 10.986 8.350 -6.180 1.00 0.00 H new ATOM 0 HD1 PHE A 54 9.673 10.375 -5.567 1.00 0.00 H new ATOM 0 HD2 PHE A 54 11.661 8.025 -2.621 1.00 0.00 H new ATOM 0 HE1 PHE A 54 9.482 12.225 -3.964 1.00 0.00 H new ATOM 0 HE2 PHE A 54 11.472 9.876 -1.016 1.00 0.00 H new ATOM 0 HZ PHE A 54 10.377 11.978 -1.683 1.00 0.00 H new ATOM 799 N TYR A 55 8.053 8.659 -6.249 1.00 0.00 N ATOM 800 CA TYR A 55 6.883 9.526 -6.320 1.00 0.00 C ATOM 801 C TYR A 55 5.626 8.721 -6.635 1.00 0.00 C ATOM 802 O TYR A 55 4.593 8.882 -5.986 1.00 0.00 O ATOM 803 CB TYR A 55 7.088 10.609 -7.381 1.00 0.00 C ATOM 804 CG TYR A 55 7.887 11.795 -6.890 1.00 0.00 C ATOM 805 CD1 TYR A 55 7.389 12.630 -5.897 1.00 0.00 C ATOM 806 CD2 TYR A 55 9.140 12.080 -7.417 1.00 0.00 C ATOM 807 CE1 TYR A 55 8.114 13.715 -5.446 1.00 0.00 C ATOM 808 CE2 TYR A 55 9.874 13.162 -6.971 1.00 0.00 C ATOM 809 CZ TYR A 55 9.356 13.977 -5.986 1.00 0.00 C ATOM 810 OH TYR A 55 10.083 15.057 -5.538 1.00 0.00 O ATOM 0 H TYR A 55 8.649 8.687 -7.076 1.00 0.00 H new ATOM 0 HA TYR A 55 6.754 10.000 -5.347 1.00 0.00 H new ATOM 0 HB2 TYR A 55 7.595 10.172 -8.241 1.00 0.00 H new ATOM 0 HB3 TYR A 55 6.114 10.956 -7.727 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.418 12.427 -5.471 1.00 0.00 H new ATOM 0 HD2 TYR A 55 9.548 11.444 -8.189 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.711 14.355 -4.675 1.00 0.00 H new ATOM 0 HE2 TYR A 55 10.847 13.369 -7.391 1.00 0.00 H new ATOM 0 HH TYR A 55 10.935 15.100 -6.020 1.00 0.00 H new ATOM 820 N GLY A 56 5.723 7.853 -7.637 1.00 0.00 N ATOM 821 CA GLY A 56 4.588 7.034 -8.021 1.00 0.00 C ATOM 822 C GLY A 56 3.832 6.492 -6.825 1.00 0.00 C ATOM 823 O GLY A 56 2.613 6.639 -6.733 1.00 0.00 O ATOM 0 H GLY A 56 6.567 7.702 -8.190 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.910 7.624 -8.638 1.00 0.00 H new ATOM 0 HA3 GLY A 56 4.935 6.203 -8.635 1.00 0.00 H new ATOM 827 N TYR A 57 4.556 5.863 -5.905 1.00 0.00 N ATOM 828 CA TYR A 57 3.945 5.293 -4.710 1.00 0.00 C ATOM 829 C TYR A 57 3.154 6.350 -3.946 1.00 0.00 C ATOM 830 O TYR A 57 1.984 6.151 -3.620 1.00 0.00 O ATOM 831 CB TYR A 57 5.018 4.687 -3.803 1.00 0.00 C ATOM 832 CG TYR A 57 4.553 4.463 -2.382 1.00 0.00 C ATOM 833 CD1 TYR A 57 3.934 3.275 -2.013 1.00 0.00 C ATOM 834 CD2 TYR A 57 4.731 5.438 -1.409 1.00 0.00 C ATOM 835 CE1 TYR A 57 3.507 3.065 -0.716 1.00 0.00 C ATOM 836 CE2 TYR A 57 4.309 5.237 -0.110 1.00 0.00 C ATOM 837 CZ TYR A 57 3.697 4.049 0.232 1.00 0.00 C ATOM 838 OH TYR A 57 3.273 3.845 1.525 1.00 0.00 O ATOM 0 H TYR A 57 5.566 5.735 -5.964 1.00 0.00 H new ATOM 0 HA TYR A 57 3.258 4.507 -5.023 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.343 3.736 -4.224 1.00 0.00 H new ATOM 0 HB3 TYR A 57 5.887 5.345 -3.793 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.784 2.503 -2.753 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.208 6.370 -1.673 1.00 0.00 H new ATOM 0 HE1 TYR A 57 3.027 2.136 -0.446 1.00 0.00 H new ATOM 0 HE2 TYR A 57 4.457 6.005 0.634 1.00 0.00 H new ATOM 0 HH TYR A 57 3.607 4.567 2.097 1.00 0.00 H new ATOM 848 N ILE A 58 3.803 7.475 -3.663 1.00 0.00 N ATOM 849 CA ILE A 58 3.161 8.565 -2.939 1.00 0.00 C ATOM 850 C ILE A 58 1.770 8.851 -3.496 1.00 0.00 C ATOM 851 O ILE A 58 0.801 8.968 -2.746 1.00 0.00 O ATOM 852 CB ILE A 58 4.002 9.854 -3.000 1.00 0.00 C ATOM 853 CG1 ILE A 58 5.402 9.603 -2.437 1.00 0.00 C ATOM 854 CG2 ILE A 58 3.311 10.974 -2.237 1.00 0.00 C ATOM 855 CD1 ILE A 58 6.306 10.814 -2.503 1.00 0.00 C ATOM 0 H ILE A 58 4.772 7.655 -3.924 1.00 0.00 H new ATOM 0 HA ILE A 58 3.075 8.246 -1.900 1.00 0.00 H new ATOM 0 HB ILE A 58 4.099 10.157 -4.042 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.315 9.281 -1.399 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.865 8.784 -2.987 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.918 11.878 -2.289 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.334 11.167 -2.679 1.00 0.00 H new ATOM 0 HG23 ILE A 58 3.186 10.681 -1.195 1.00 0.00 H new ATOM 0 HD11 ILE A 58 7.282 10.563 -2.087 1.00 0.00 H new ATOM 0 HD12 ILE A 58 6.423 11.124 -3.541 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.865 11.629 -1.928 1.00 0.00 H new ATOM 867 N LYS A 59 1.680 8.962 -4.817 1.00 0.00 N ATOM 868 CA LYS A 59 0.407 9.232 -5.476 1.00 0.00 C ATOM 869 C LYS A 59 -0.612 8.143 -5.157 1.00 0.00 C ATOM 870 O LYS A 59 -1.790 8.427 -4.937 1.00 0.00 O ATOM 871 CB LYS A 59 0.606 9.332 -6.990 1.00 0.00 C ATOM 872 CG LYS A 59 1.568 10.431 -7.407 1.00 0.00 C ATOM 873 CD LYS A 59 1.569 10.630 -8.913 1.00 0.00 C ATOM 874 CE LYS A 59 2.757 11.466 -9.364 1.00 0.00 C ATOM 875 NZ LYS A 59 3.101 11.217 -10.791 1.00 0.00 N ATOM 0 H LYS A 59 2.473 8.869 -5.452 1.00 0.00 H new ATOM 0 HA LYS A 59 0.026 10.182 -5.102 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.975 8.377 -7.363 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.360 9.507 -7.464 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.291 11.364 -6.916 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.575 10.181 -7.072 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.596 9.660 -9.409 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.643 11.118 -9.217 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.531 12.523 -9.224 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.620 11.239 -8.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.915 11.805 -11.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.341 10.213 -10.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.287 11.458 -11.392 1.00 0.00 H new ATOM 889 N LEU A 60 -0.152 6.897 -5.132 1.00 0.00 N ATOM 890 CA LEU A 60 -1.024 5.765 -4.838 1.00 0.00 C ATOM 891 C LEU A 60 -1.734 5.957 -3.502 1.00 0.00 C ATOM 892 O LEU A 60 -2.952 5.803 -3.406 1.00 0.00 O ATOM 893 CB LEU A 60 -0.218 4.466 -4.819 1.00 0.00 C ATOM 894 CG LEU A 60 -1.024 3.178 -4.654 1.00 0.00 C ATOM 895 CD1 LEU A 60 -1.383 2.956 -3.193 1.00 0.00 C ATOM 896 CD2 LEU A 60 -2.279 3.220 -5.513 1.00 0.00 C ATOM 0 H LEU A 60 0.820 6.645 -5.312 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.778 5.705 -5.623 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.348 4.400 -5.748 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.507 4.524 -4.007 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.408 2.342 -4.986 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.957 2.034 -3.095 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.471 2.880 -2.602 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.980 3.794 -2.833 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.840 2.295 -5.383 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.898 4.065 -5.212 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.999 3.330 -6.561 1.00 0.00 H new ATOM 908 N ILE A 61 -0.964 6.296 -2.473 1.00 0.00 N ATOM 909 CA ILE A 61 -1.520 6.512 -1.143 1.00 0.00 C ATOM 910 C ILE A 61 -2.476 7.700 -1.133 1.00 0.00 C ATOM 911 O ILE A 61 -3.671 7.546 -0.884 1.00 0.00 O ATOM 912 CB ILE A 61 -0.410 6.752 -0.102 1.00 0.00 C ATOM 913 CG1 ILE A 61 0.507 5.531 -0.011 1.00 0.00 C ATOM 914 CG2 ILE A 61 -1.018 7.068 1.257 1.00 0.00 C ATOM 915 CD1 ILE A 61 -0.214 4.263 0.392 1.00 0.00 C ATOM 0 H ILE A 61 0.046 6.427 -2.535 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.067 5.607 -0.878 1.00 0.00 H new ATOM 0 HB ILE A 61 0.187 7.607 -0.419 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.988 5.375 -0.977 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.299 5.734 0.710 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.221 7.235 1.982 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.633 7.965 1.181 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.635 6.231 1.583 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.497 3.438 0.436 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.672 4.400 1.372 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.988 4.036 -0.341 1.00 0.00 H new ATOM 927 N ASN A 62 -1.941 8.886 -1.407 1.00 0.00 N ATOM 928 CA ASN A 62 -2.748 10.101 -1.431 1.00 0.00 C ATOM 929 C ASN A 62 -3.971 9.924 -2.325 1.00 0.00 C ATOM 930 O ASN A 62 -5.027 10.506 -2.073 1.00 0.00 O ATOM 931 CB ASN A 62 -1.910 11.284 -1.921 1.00 0.00 C ATOM 932 CG ASN A 62 -0.821 11.667 -0.939 1.00 0.00 C ATOM 933 OD1 ASN A 62 -0.930 11.407 0.260 1.00 0.00 O ATOM 934 ND2 ASN A 62 0.238 12.290 -1.443 1.00 0.00 N ATOM 0 H ASN A 62 -0.953 9.031 -1.615 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.089 10.302 -0.415 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.458 11.033 -2.881 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.561 12.142 -2.090 1.00 0.00 H new ATOM 0 HD21 ASN A 62 1.003 12.573 -0.830 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.287 12.485 -2.443 1.00 0.00 H new ATOM 941 N PHE A 63 -3.822 9.117 -3.370 1.00 0.00 N ATOM 942 CA PHE A 63 -4.914 8.863 -4.302 1.00 0.00 C ATOM 943 C PHE A 63 -6.141 8.327 -3.570 1.00 0.00 C ATOM 944 O PHE A 63 -7.238 8.872 -3.694 1.00 0.00 O ATOM 945 CB PHE A 63 -4.474 7.868 -5.378 1.00 0.00 C ATOM 946 CG PHE A 63 -5.620 7.189 -6.072 1.00 0.00 C ATOM 947 CD1 PHE A 63 -6.261 7.798 -7.138 1.00 0.00 C ATOM 948 CD2 PHE A 63 -6.056 5.941 -5.657 1.00 0.00 C ATOM 949 CE1 PHE A 63 -7.316 7.176 -7.779 1.00 0.00 C ATOM 950 CE2 PHE A 63 -7.110 5.313 -6.294 1.00 0.00 C ATOM 951 CZ PHE A 63 -7.742 5.932 -7.355 1.00 0.00 C ATOM 0 H PHE A 63 -2.955 8.628 -3.593 1.00 0.00 H new ATOM 0 HA PHE A 63 -5.179 9.808 -4.777 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.869 8.391 -6.119 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.836 7.111 -4.922 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.933 8.771 -7.473 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.567 5.453 -4.827 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.806 7.662 -8.610 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.439 4.339 -5.962 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.568 5.444 -7.852 1.00 0.00 H new ATOM 961 N ILE A 64 -5.946 7.256 -2.807 1.00 0.00 N ATOM 962 CA ILE A 64 -7.036 6.647 -2.055 1.00 0.00 C ATOM 963 C ILE A 64 -7.601 7.617 -1.022 1.00 0.00 C ATOM 964 O ILE A 64 -8.801 7.619 -0.749 1.00 0.00 O ATOM 965 CB ILE A 64 -6.577 5.363 -1.339 1.00 0.00 C ATOM 966 CG1 ILE A 64 -5.909 4.410 -2.332 1.00 0.00 C ATOM 967 CG2 ILE A 64 -7.756 4.686 -0.658 1.00 0.00 C ATOM 968 CD1 ILE A 64 -5.263 3.210 -1.677 1.00 0.00 C ATOM 0 H ILE A 64 -5.044 6.793 -2.694 1.00 0.00 H new ATOM 0 HA ILE A 64 -7.814 6.394 -2.776 1.00 0.00 H new ATOM 0 HB ILE A 64 -5.847 5.632 -0.575 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -6.654 4.065 -3.049 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -5.153 4.957 -2.896 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -7.415 3.780 -0.156 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -8.192 5.365 0.075 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.507 4.427 -1.404 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.810 2.579 -2.441 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.495 3.545 -0.980 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.019 2.640 -1.137 1.00 0.00 H new ATOM 980 N ARG A 65 -6.727 8.442 -0.453 1.00 0.00 N ATOM 981 CA ARG A 65 -7.139 9.417 0.549 1.00 0.00 C ATOM 982 C ARG A 65 -8.129 10.418 -0.041 1.00 0.00 C ATOM 983 O ARG A 65 -9.038 10.887 0.646 1.00 0.00 O ATOM 984 CB ARG A 65 -5.919 10.156 1.103 1.00 0.00 C ATOM 985 CG ARG A 65 -4.838 9.232 1.638 1.00 0.00 C ATOM 986 CD ARG A 65 -5.270 8.560 2.932 1.00 0.00 C ATOM 987 NE ARG A 65 -4.137 8.291 3.813 1.00 0.00 N ATOM 988 CZ ARG A 65 -4.249 7.688 4.992 1.00 0.00 C ATOM 989 NH1 ARG A 65 -5.437 7.293 5.427 1.00 0.00 N ATOM 990 NH2 ARG A 65 -3.171 7.479 5.737 1.00 0.00 N ATOM 0 H ARG A 65 -5.730 8.454 -0.669 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.631 8.881 1.361 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.495 10.780 0.316 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -6.241 10.824 1.901 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.605 8.472 0.892 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.924 9.801 1.809 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -5.988 9.197 3.449 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.781 7.625 2.702 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.209 8.582 3.507 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.268 7.452 4.857 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -5.521 6.830 6.332 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -2.255 7.781 5.405 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -3.258 7.016 6.642 1.00 0.00 H new ATOM 1004 N LEU A 66 -7.946 10.741 -1.316 1.00 0.00 N ATOM 1005 CA LEU A 66 -8.822 11.687 -1.999 1.00 0.00 C ATOM 1006 C LEU A 66 -10.012 10.969 -2.629 1.00 0.00 C ATOM 1007 O LEU A 66 -11.165 11.240 -2.290 1.00 0.00 O ATOM 1008 CB LEU A 66 -8.045 12.448 -3.074 1.00 0.00 C ATOM 1009 CG LEU A 66 -8.651 13.777 -3.526 1.00 0.00 C ATOM 1010 CD1 LEU A 66 -7.555 14.762 -3.904 1.00 0.00 C ATOM 1011 CD2 LEU A 66 -9.602 13.560 -4.694 1.00 0.00 C ATOM 0 H LEU A 66 -7.199 10.362 -1.898 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.197 12.395 -1.260 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.039 12.639 -2.700 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.944 11.802 -3.946 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.218 14.197 -2.695 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.005 15.702 -4.223 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.913 14.941 -3.041 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -6.960 14.349 -4.719 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.024 14.517 -5.002 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.058 13.117 -5.529 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.406 12.890 -4.389 1.00 0.00 H new ATOM 1023 N LYS A 67 -9.726 10.051 -3.545 1.00 0.00 N ATOM 1024 CA LYS A 67 -10.771 9.291 -4.220 1.00 0.00 C ATOM 1025 C LYS A 67 -11.530 8.412 -3.231 1.00 0.00 C ATOM 1026 O LYS A 67 -12.759 8.423 -3.193 1.00 0.00 O ATOM 1027 CB LYS A 67 -10.166 8.426 -5.328 1.00 0.00 C ATOM 1028 CG LYS A 67 -9.732 9.217 -6.549 1.00 0.00 C ATOM 1029 CD LYS A 67 -10.914 9.568 -7.437 1.00 0.00 C ATOM 1030 CE LYS A 67 -10.464 9.966 -8.834 1.00 0.00 C ATOM 1031 NZ LYS A 67 -11.619 10.215 -9.739 1.00 0.00 N ATOM 0 H LYS A 67 -8.778 9.815 -3.838 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.472 9.999 -4.662 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.306 7.889 -4.929 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.897 7.677 -5.632 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.230 10.131 -6.232 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.007 8.637 -7.120 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.589 8.714 -7.501 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.477 10.386 -6.988 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.849 10.864 -8.775 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.838 9.178 -9.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.270 10.484 -10.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.193 9.351 -9.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.203 10.985 -9.353 1.00 0.00 H new ATOM 1045 N ASN A 68 -10.788 7.654 -2.431 1.00 0.00 N ATOM 1046 CA ASN A 68 -11.392 6.769 -1.440 1.00 0.00 C ATOM 1047 C ASN A 68 -12.207 5.672 -2.116 1.00 0.00 C ATOM 1048 O ASN A 68 -13.344 5.387 -1.739 1.00 0.00 O ATOM 1049 CB ASN A 68 -12.283 7.569 -0.488 1.00 0.00 C ATOM 1050 CG ASN A 68 -11.529 8.063 0.732 1.00 0.00 C ATOM 1051 OD1 ASN A 68 -11.439 7.366 1.743 1.00 0.00 O ATOM 1052 ND2 ASN A 68 -10.983 9.270 0.642 1.00 0.00 N ATOM 0 H ASN A 68 -9.768 7.634 -2.449 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.590 6.301 -0.869 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.706 8.421 -1.020 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -13.119 6.947 -0.168 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -10.463 9.655 1.431 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -11.083 9.812 -0.216 1.00 0.00 H new ATOM 1059 N PRO A 69 -11.615 5.039 -3.140 1.00 0.00 N ATOM 1060 CA PRO A 69 -12.267 3.962 -3.890 1.00 0.00 C ATOM 1061 C PRO A 69 -12.418 2.689 -3.063 1.00 0.00 C ATOM 1062 O PRO A 69 -12.279 2.711 -1.840 1.00 0.00 O ATOM 1063 CB PRO A 69 -11.319 3.725 -5.068 1.00 0.00 C ATOM 1064 CG PRO A 69 -9.988 4.183 -4.581 1.00 0.00 C ATOM 1065 CD PRO A 69 -10.261 5.327 -3.644 1.00 0.00 C ATOM 0 HA PRO A 69 -13.281 4.229 -4.188 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -11.296 2.673 -5.352 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -11.633 4.286 -5.948 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -9.461 3.377 -4.070 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -9.357 4.501 -5.411 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -9.531 5.367 -2.835 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.219 6.287 -4.159 1.00 0.00 H new ATOM 1073 N THR A 70 -12.704 1.581 -3.739 1.00 0.00 N ATOM 1074 CA THR A 70 -12.875 0.299 -3.067 1.00 0.00 C ATOM 1075 C THR A 70 -11.873 -0.729 -3.580 1.00 0.00 C ATOM 1076 O THR A 70 -11.469 -0.690 -4.743 1.00 0.00 O ATOM 1077 CB THR A 70 -14.301 -0.251 -3.258 1.00 0.00 C ATOM 1078 OG1 THR A 70 -14.431 -1.516 -2.600 1.00 0.00 O ATOM 1079 CG2 THR A 70 -14.627 -0.407 -4.736 1.00 0.00 C ATOM 0 H THR A 70 -12.822 1.546 -4.752 1.00 0.00 H new ATOM 0 HA THR A 70 -12.701 0.474 -2.005 1.00 0.00 H new ATOM 0 HB THR A 70 -15.002 0.459 -2.820 1.00 0.00 H new ATOM 0 HG1 THR A 70 -15.341 -1.858 -2.725 1.00 0.00 H new ATOM 0 HG21 THR A 70 -15.639 -0.797 -4.846 1.00 0.00 H new ATOM 0 HG22 THR A 70 -14.556 0.563 -5.229 1.00 0.00 H new ATOM 0 HG23 THR A 70 -13.920 -1.099 -5.194 1.00 0.00 H new ATOM 1087 N VAL A 71 -11.475 -1.649 -2.707 1.00 0.00 N ATOM 1088 CA VAL A 71 -10.521 -2.689 -3.074 1.00 0.00 C ATOM 1089 C VAL A 71 -10.762 -3.178 -4.497 1.00 0.00 C ATOM 1090 O VAL A 71 -9.830 -3.280 -5.294 1.00 0.00 O ATOM 1091 CB VAL A 71 -10.601 -3.888 -2.110 1.00 0.00 C ATOM 1092 CG1 VAL A 71 -9.655 -4.993 -2.554 1.00 0.00 C ATOM 1093 CG2 VAL A 71 -10.291 -3.449 -0.687 1.00 0.00 C ATOM 0 H VAL A 71 -11.798 -1.695 -1.741 1.00 0.00 H new ATOM 0 HA VAL A 71 -9.528 -2.245 -3.009 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.617 -4.282 -2.131 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.725 -5.832 -1.861 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -9.928 -5.325 -3.555 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.633 -4.615 -2.564 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -10.352 -4.309 -0.020 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -9.286 -3.029 -0.647 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -11.012 -2.694 -0.374 1.00 0.00 H new ATOM 1103 N GLU A 72 -12.018 -3.480 -4.809 1.00 0.00 N ATOM 1104 CA GLU A 72 -12.381 -3.959 -6.138 1.00 0.00 C ATOM 1105 C GLU A 72 -11.700 -3.127 -7.221 1.00 0.00 C ATOM 1106 O GLU A 72 -11.020 -3.664 -8.095 1.00 0.00 O ATOM 1107 CB GLU A 72 -13.899 -3.915 -6.324 1.00 0.00 C ATOM 1108 CG GLU A 72 -14.617 -5.131 -5.763 1.00 0.00 C ATOM 1109 CD GLU A 72 -14.646 -6.292 -6.738 1.00 0.00 C ATOM 1110 OE1 GLU A 72 -13.672 -6.449 -7.504 1.00 0.00 O ATOM 1111 OE2 GLU A 72 -15.642 -7.045 -6.733 1.00 0.00 O ATOM 0 H GLU A 72 -12.801 -3.402 -4.160 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.041 -4.991 -6.229 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -14.290 -3.019 -5.842 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.124 -3.829 -7.387 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -14.125 -5.446 -4.843 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -15.639 -4.856 -5.500 1.00 0.00 H new ATOM 1118 N TYR A 73 -11.890 -1.814 -7.156 1.00 0.00 N ATOM 1119 CA TYR A 73 -11.297 -0.907 -8.132 1.00 0.00 C ATOM 1120 C TYR A 73 -9.776 -1.024 -8.131 1.00 0.00 C ATOM 1121 O TYR A 73 -9.166 -1.345 -9.150 1.00 0.00 O ATOM 1122 CB TYR A 73 -11.710 0.535 -7.835 1.00 0.00 C ATOM 1123 CG TYR A 73 -11.195 1.533 -8.848 1.00 0.00 C ATOM 1124 CD1 TYR A 73 -11.784 1.648 -10.101 1.00 0.00 C ATOM 1125 CD2 TYR A 73 -10.119 2.362 -8.551 1.00 0.00 C ATOM 1126 CE1 TYR A 73 -11.316 2.558 -11.029 1.00 0.00 C ATOM 1127 CE2 TYR A 73 -9.646 3.275 -9.473 1.00 0.00 C ATOM 1128 CZ TYR A 73 -10.247 3.369 -10.710 1.00 0.00 C ATOM 1129 OH TYR A 73 -9.779 4.278 -11.632 1.00 0.00 O ATOM 0 H TYR A 73 -12.450 -1.354 -6.438 1.00 0.00 H new ATOM 0 HA TYR A 73 -11.663 -1.186 -9.120 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -12.798 0.593 -7.801 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -11.345 0.812 -6.846 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -12.622 1.015 -10.354 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -9.645 2.291 -7.583 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -11.785 2.634 -11.999 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -8.810 3.912 -9.226 1.00 0.00 H new ATOM 0 HH TYR A 73 -9.850 5.183 -11.264 1.00 0.00 H new ATOM 1139 N MET A 74 -9.170 -0.761 -6.977 1.00 0.00 N ATOM 1140 CA MET A 74 -7.720 -0.838 -6.842 1.00 0.00 C ATOM 1141 C MET A 74 -7.164 -2.029 -7.616 1.00 0.00 C ATOM 1142 O MET A 74 -6.091 -1.947 -8.211 1.00 0.00 O ATOM 1143 CB MET A 74 -7.330 -0.946 -5.366 1.00 0.00 C ATOM 1144 CG MET A 74 -7.745 0.259 -4.538 1.00 0.00 C ATOM 1145 SD MET A 74 -7.319 1.824 -5.326 1.00 0.00 S ATOM 1146 CE MET A 74 -5.532 1.705 -5.371 1.00 0.00 C ATOM 0 H MET A 74 -9.660 -0.493 -6.123 1.00 0.00 H new ATOM 0 HA MET A 74 -7.292 0.074 -7.258 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.785 -1.841 -4.943 1.00 0.00 H new ATOM 0 HB3 MET A 74 -6.250 -1.073 -5.292 1.00 0.00 H new ATOM 0 HG2 MET A 74 -8.821 0.224 -4.367 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.265 0.206 -3.561 1.00 0.00 H new ATOM 0 HE1 MET A 74 -5.097 2.578 -4.884 1.00 0.00 H new ATOM 0 HE2 MET A 74 -5.214 0.802 -4.849 1.00 0.00 H new ATOM 0 HE3 MET A 74 -5.196 1.663 -6.407 1.00 0.00 H new ATOM 1156 N ASN A 75 -7.902 -3.134 -7.602 1.00 0.00 N ATOM 1157 CA ASN A 75 -7.481 -4.342 -8.303 1.00 0.00 C ATOM 1158 C ASN A 75 -7.634 -4.177 -9.812 1.00 0.00 C ATOM 1159 O ASN A 75 -6.737 -4.529 -10.579 1.00 0.00 O ATOM 1160 CB ASN A 75 -8.298 -5.544 -7.825 1.00 0.00 C ATOM 1161 CG ASN A 75 -7.846 -6.049 -6.468 1.00 0.00 C ATOM 1162 OD1 ASN A 75 -6.649 -6.138 -6.195 1.00 0.00 O ATOM 1163 ND2 ASN A 75 -8.804 -6.381 -5.611 1.00 0.00 N ATOM 0 H ASN A 75 -8.794 -3.218 -7.114 1.00 0.00 H new ATOM 0 HA ASN A 75 -6.428 -4.514 -8.079 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -9.351 -5.267 -7.774 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.215 -6.349 -8.555 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.561 -6.726 -4.683 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -9.783 -6.291 -5.881 1.00 0.00 H new ATOM 1170 N SER A 76 -8.774 -3.639 -10.231 1.00 0.00 N ATOM 1171 CA SER A 76 -9.046 -3.430 -11.648 1.00 0.00 C ATOM 1172 C SER A 76 -8.622 -2.030 -12.082 1.00 0.00 C ATOM 1173 O SER A 76 -9.458 -1.144 -12.259 1.00 0.00 O ATOM 1174 CB SER A 76 -10.533 -3.638 -11.940 1.00 0.00 C ATOM 1175 OG SER A 76 -10.945 -4.946 -11.583 1.00 0.00 O ATOM 0 H SER A 76 -9.525 -3.340 -9.609 1.00 0.00 H new ATOM 0 HA SER A 76 -8.466 -4.159 -12.215 1.00 0.00 H new ATOM 0 HB2 SER A 76 -11.121 -2.905 -11.388 1.00 0.00 H new ATOM 0 HB3 SER A 76 -10.726 -3.469 -12.999 1.00 0.00 H new ATOM 0 HG SER A 76 -11.899 -5.053 -11.778 1.00 0.00 H new ATOM 1181 N ILE A 77 -7.318 -1.840 -12.250 1.00 0.00 N ATOM 1182 CA ILE A 77 -6.782 -0.549 -12.663 1.00 0.00 C ATOM 1183 C ILE A 77 -6.030 -0.664 -13.985 1.00 0.00 C ATOM 1184 O ILE A 77 -5.464 -1.711 -14.300 1.00 0.00 O ATOM 1185 CB ILE A 77 -5.836 0.036 -11.597 1.00 0.00 C ATOM 1186 CG1 ILE A 77 -6.581 0.231 -10.275 1.00 0.00 C ATOM 1187 CG2 ILE A 77 -5.246 1.353 -12.078 1.00 0.00 C ATOM 1188 CD1 ILE A 77 -7.667 1.282 -10.343 1.00 0.00 C ATOM 0 H ILE A 77 -6.613 -2.563 -12.107 1.00 0.00 H new ATOM 0 HA ILE A 77 -7.633 0.120 -12.788 1.00 0.00 H new ATOM 0 HB ILE A 77 -5.019 -0.667 -11.432 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -7.024 -0.718 -9.973 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -5.865 0.509 -9.501 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -4.580 1.754 -11.314 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.685 1.186 -12.997 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -6.050 2.064 -12.268 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -8.153 1.367 -9.371 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -7.228 2.242 -10.614 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -8.404 0.996 -11.093 1.00 0.00 H new ATOM 1200 N TYR A 78 -6.027 0.420 -14.754 1.00 0.00 N ATOM 1201 CA TYR A 78 -5.346 0.441 -16.043 1.00 0.00 C ATOM 1202 C TYR A 78 -4.528 1.719 -16.206 1.00 0.00 C ATOM 1203 O TYR A 78 -4.825 2.741 -15.589 1.00 0.00 O ATOM 1204 CB TYR A 78 -6.360 0.322 -17.182 1.00 0.00 C ATOM 1205 CG TYR A 78 -6.836 -1.093 -17.423 1.00 0.00 C ATOM 1206 CD1 TYR A 78 -5.955 -2.083 -17.838 1.00 0.00 C ATOM 1207 CD2 TYR A 78 -8.169 -1.439 -17.234 1.00 0.00 C ATOM 1208 CE1 TYR A 78 -6.386 -3.376 -18.060 1.00 0.00 C ATOM 1209 CE2 TYR A 78 -8.609 -2.730 -17.452 1.00 0.00 C ATOM 1210 CZ TYR A 78 -7.714 -3.695 -17.866 1.00 0.00 C ATOM 1211 OH TYR A 78 -8.148 -4.983 -18.084 1.00 0.00 O ATOM 0 H TYR A 78 -6.489 1.295 -14.507 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.667 -0.411 -16.080 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -7.220 0.953 -16.959 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -5.912 0.707 -18.098 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -4.914 -1.837 -17.990 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -8.872 -0.686 -16.911 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -5.687 -4.133 -18.384 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -9.648 -2.983 -17.299 1.00 0.00 H new ATOM 0 HH TYR A 78 -9.109 -5.040 -17.901 1.00 0.00 H new ATOM 1221 N ASN A 79 -3.497 1.651 -17.042 1.00 0.00 N ATOM 1222 CA ASN A 79 -2.636 2.802 -17.287 1.00 0.00 C ATOM 1223 C ASN A 79 -3.198 3.674 -18.406 1.00 0.00 C ATOM 1224 O ASN A 79 -3.769 3.184 -19.381 1.00 0.00 O ATOM 1225 CB ASN A 79 -1.222 2.340 -17.647 1.00 0.00 C ATOM 1226 CG ASN A 79 -1.182 1.562 -18.948 1.00 0.00 C ATOM 1227 OD1 ASN A 79 -1.508 2.091 -20.011 1.00 0.00 O ATOM 1228 ND2 ASN A 79 -0.782 0.298 -18.870 1.00 0.00 N ATOM 0 H ASN A 79 -3.238 0.812 -17.561 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.596 3.395 -16.373 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -0.568 3.208 -17.726 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -0.830 1.718 -16.842 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.736 -0.275 -19.712 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.521 -0.100 -17.968 1.00 0.00 H new ATOM 1235 N PRO A 80 -3.035 4.997 -18.264 1.00 0.00 N ATOM 1236 CA PRO A 80 -2.358 5.592 -17.108 1.00 0.00 C ATOM 1237 C PRO A 80 -3.173 5.456 -15.826 1.00 0.00 C ATOM 1238 O PRO A 80 -4.383 5.685 -15.821 1.00 0.00 O ATOM 1239 CB PRO A 80 -2.216 7.065 -17.498 1.00 0.00 C ATOM 1240 CG PRO A 80 -3.317 7.306 -18.472 1.00 0.00 C ATOM 1241 CD PRO A 80 -3.498 6.016 -19.222 1.00 0.00 C ATOM 0 HA PRO A 80 -1.409 5.101 -16.895 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -2.307 7.716 -16.628 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -1.242 7.264 -17.944 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -4.236 7.591 -17.959 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -3.065 8.120 -19.152 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -4.539 5.858 -19.505 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -2.912 6.000 -20.141 1.00 0.00 H new ATOM 1249 N VAL A 81 -2.504 5.083 -14.740 1.00 0.00 N ATOM 1250 CA VAL A 81 -3.166 4.919 -13.452 1.00 0.00 C ATOM 1251 C VAL A 81 -3.994 6.150 -13.099 1.00 0.00 C ATOM 1252 O VAL A 81 -3.689 7.271 -13.505 1.00 0.00 O ATOM 1253 CB VAL A 81 -2.148 4.658 -12.326 1.00 0.00 C ATOM 1254 CG1 VAL A 81 -1.142 3.599 -12.751 1.00 0.00 C ATOM 1255 CG2 VAL A 81 -1.443 5.949 -11.936 1.00 0.00 C ATOM 0 H VAL A 81 -1.503 4.889 -14.727 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.825 4.055 -13.543 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.685 4.286 -11.453 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.431 3.428 -11.943 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.665 2.670 -12.977 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -0.608 3.940 -13.638 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.727 5.746 -11.139 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.918 6.353 -12.802 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.178 6.674 -11.587 1.00 0.00 H new ATOM 1265 N PRO A 82 -5.067 5.938 -12.323 1.00 0.00 N ATOM 1266 CA PRO A 82 -5.961 7.019 -11.896 1.00 0.00 C ATOM 1267 C PRO A 82 -5.299 7.957 -10.893 1.00 0.00 C ATOM 1268 O PRO A 82 -5.900 8.939 -10.457 1.00 0.00 O ATOM 1269 CB PRO A 82 -7.129 6.277 -11.243 1.00 0.00 C ATOM 1270 CG PRO A 82 -6.550 4.980 -10.794 1.00 0.00 C ATOM 1271 CD PRO A 82 -5.491 4.628 -11.802 1.00 0.00 C ATOM 0 HA PRO A 82 -6.256 7.657 -12.730 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -7.536 6.840 -10.404 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -7.945 6.123 -11.949 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.124 5.068 -9.795 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -7.316 4.206 -10.747 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.661 4.091 -11.342 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -5.885 3.990 -12.593 1.00 0.00 H new ATOM 1279 N TRP A 83 -4.058 7.649 -10.532 1.00 0.00 N ATOM 1280 CA TRP A 83 -3.314 8.466 -9.580 1.00 0.00 C ATOM 1281 C TRP A 83 -2.047 9.026 -10.217 1.00 0.00 C ATOM 1282 O TRP A 83 -1.112 9.416 -9.518 1.00 0.00 O ATOM 1283 CB TRP A 83 -2.957 7.643 -8.341 1.00 0.00 C ATOM 1284 CG TRP A 83 -2.055 6.483 -8.638 1.00 0.00 C ATOM 1285 CD1 TRP A 83 -0.706 6.525 -8.843 1.00 0.00 C ATOM 1286 CD2 TRP A 83 -2.440 5.110 -8.766 1.00 0.00 C ATOM 1287 NE1 TRP A 83 -0.228 5.261 -9.090 1.00 0.00 N ATOM 1288 CE2 TRP A 83 -1.272 4.375 -9.048 1.00 0.00 C ATOM 1289 CE3 TRP A 83 -3.657 4.430 -8.668 1.00 0.00 C ATOM 1290 CZ2 TRP A 83 -1.288 2.995 -9.233 1.00 0.00 C ATOM 1291 CZ3 TRP A 83 -3.671 3.060 -8.853 1.00 0.00 C ATOM 1292 CH2 TRP A 83 -2.493 2.355 -9.132 1.00 0.00 C ATOM 0 H TRP A 83 -3.546 6.840 -10.884 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.948 9.301 -9.282 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -2.474 8.291 -7.610 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -3.874 7.273 -7.883 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -0.103 7.421 -8.815 1.00 0.00 H new ATOM 0 HE1 TRP A 83 0.746 5.021 -9.275 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -4.570 4.965 -8.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -0.381 2.449 -9.449 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -4.606 2.524 -8.781 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -2.537 1.285 -9.270 1.00 0.00 H new ATOM 1303 N GLU A 84 -2.025 9.064 -11.545 1.00 0.00 N ATOM 1304 CA GLU A 84 -0.871 9.576 -12.274 1.00 0.00 C ATOM 1305 C GLU A 84 -0.947 11.094 -12.417 1.00 0.00 C ATOM 1306 O GLU A 84 -0.330 11.678 -13.308 1.00 0.00 O ATOM 1307 CB GLU A 84 -0.784 8.927 -13.657 1.00 0.00 C ATOM 1308 CG GLU A 84 0.399 7.986 -13.815 1.00 0.00 C ATOM 1309 CD GLU A 84 0.690 7.654 -15.265 1.00 0.00 C ATOM 1310 OE1 GLU A 84 0.591 8.564 -16.114 1.00 0.00 O ATOM 1311 OE2 GLU A 84 1.018 6.483 -15.552 1.00 0.00 O ATOM 0 H GLU A 84 -2.792 8.747 -12.138 1.00 0.00 H new ATOM 0 HA GLU A 84 0.025 9.326 -11.706 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.704 8.375 -13.849 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.718 9.710 -14.413 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.282 8.440 -13.366 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.201 7.064 -13.268 1.00 0.00 H new ATOM 1318 N LYS A 85 -1.710 11.727 -11.532 1.00 0.00 N ATOM 1319 CA LYS A 85 -1.868 13.177 -11.556 1.00 0.00 C ATOM 1320 C LYS A 85 -0.742 13.860 -10.788 1.00 0.00 C ATOM 1321 O LYS A 85 0.173 13.202 -10.292 1.00 0.00 O ATOM 1322 CB LYS A 85 -3.221 13.572 -10.960 1.00 0.00 C ATOM 1323 CG LYS A 85 -4.376 13.452 -11.938 1.00 0.00 C ATOM 1324 CD LYS A 85 -4.663 12.001 -12.287 1.00 0.00 C ATOM 1325 CE LYS A 85 -3.934 11.577 -13.553 1.00 0.00 C ATOM 1326 NZ LYS A 85 -4.512 12.219 -14.766 1.00 0.00 N ATOM 0 H LYS A 85 -2.229 11.259 -10.789 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.825 13.506 -12.594 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -3.424 12.943 -10.093 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -3.164 14.600 -10.602 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -5.268 13.907 -11.507 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -4.143 14.007 -12.847 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -4.360 11.360 -11.459 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -5.736 11.863 -12.420 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -2.879 11.840 -13.470 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -3.985 10.493 -13.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.240 11.675 -15.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.549 12.240 -14.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -4.152 13.191 -14.849 1.00 0.00 H new ATOM 1340 N ASP A 86 -0.815 15.183 -10.692 1.00 0.00 N ATOM 1341 CA ASP A 86 0.197 15.955 -9.981 1.00 0.00 C ATOM 1342 C ASP A 86 -0.308 16.376 -8.604 1.00 0.00 C ATOM 1343 O ASP A 86 0.462 16.453 -7.648 1.00 0.00 O ATOM 1344 CB ASP A 86 0.590 17.190 -10.793 1.00 0.00 C ATOM 1345 CG ASP A 86 -0.615 17.964 -11.291 1.00 0.00 C ATOM 1346 OD1 ASP A 86 -1.299 18.596 -10.459 1.00 0.00 O ATOM 1347 OD2 ASP A 86 -0.873 17.937 -12.512 1.00 0.00 O ATOM 0 H ASP A 86 -1.565 15.743 -11.098 1.00 0.00 H new ATOM 0 HA ASP A 86 1.075 15.322 -9.848 1.00 0.00 H new ATOM 0 HB2 ASP A 86 1.209 17.843 -10.178 1.00 0.00 H new ATOM 0 HB3 ASP A 86 1.198 16.883 -11.644 1.00 0.00 H new ATOM 1352 N GLU A 87 -1.606 16.648 -8.513 1.00 0.00 N ATOM 1353 CA GLU A 87 -2.213 17.063 -7.254 1.00 0.00 C ATOM 1354 C GLU A 87 -2.048 15.983 -6.189 1.00 0.00 C ATOM 1355 O GLU A 87 -1.851 16.282 -5.011 1.00 0.00 O ATOM 1356 CB GLU A 87 -3.697 17.374 -7.455 1.00 0.00 C ATOM 1357 CG GLU A 87 -4.487 16.218 -8.045 1.00 0.00 C ATOM 1358 CD GLU A 87 -5.981 16.477 -8.055 1.00 0.00 C ATOM 1359 OE1 GLU A 87 -6.524 16.859 -6.998 1.00 0.00 O ATOM 1360 OE2 GLU A 87 -6.606 16.299 -9.122 1.00 0.00 O ATOM 0 H GLU A 87 -2.257 16.588 -9.296 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.704 17.965 -6.915 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.135 17.650 -6.496 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.793 18.240 -8.110 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -4.147 16.033 -9.064 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -4.283 15.313 -7.472 1.00 0.00 H new ATOM 1367 N TYR A 88 -2.131 14.726 -6.612 1.00 0.00 N ATOM 1368 CA TYR A 88 -1.994 13.601 -5.695 1.00 0.00 C ATOM 1369 C TYR A 88 -0.652 13.647 -4.971 1.00 0.00 C ATOM 1370 O TYR A 88 -0.551 13.278 -3.800 1.00 0.00 O ATOM 1371 CB TYR A 88 -2.132 12.279 -6.452 1.00 0.00 C ATOM 1372 CG TYR A 88 -3.535 12.008 -6.947 1.00 0.00 C ATOM 1373 CD1 TYR A 88 -4.633 12.188 -6.115 1.00 0.00 C ATOM 1374 CD2 TYR A 88 -3.762 11.571 -8.246 1.00 0.00 C ATOM 1375 CE1 TYR A 88 -5.916 11.941 -6.562 1.00 0.00 C ATOM 1376 CE2 TYR A 88 -5.042 11.323 -8.703 1.00 0.00 C ATOM 1377 CZ TYR A 88 -6.116 11.509 -7.857 1.00 0.00 C ATOM 1378 OH TYR A 88 -7.392 11.262 -8.307 1.00 0.00 O ATOM 0 H TYR A 88 -2.292 14.461 -7.584 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.789 13.672 -4.953 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -1.450 12.284 -7.303 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.822 11.463 -5.800 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.480 12.527 -5.101 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.923 11.423 -8.910 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.758 12.085 -5.902 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -5.201 10.986 -9.717 1.00 0.00 H new ATOM 0 HH TYR A 88 -7.358 10.966 -9.241 1.00 0.00 H new ATOM 1388 N LEU A 89 0.377 14.104 -5.676 1.00 0.00 N ATOM 1389 CA LEU A 89 1.715 14.201 -5.102 1.00 0.00 C ATOM 1390 C LEU A 89 1.666 14.823 -3.710 1.00 0.00 C ATOM 1391 O LEU A 89 2.410 14.425 -2.813 1.00 0.00 O ATOM 1392 CB LEU A 89 2.623 15.030 -6.012 1.00 0.00 C ATOM 1393 CG LEU A 89 2.990 14.394 -7.353 1.00 0.00 C ATOM 1394 CD1 LEU A 89 3.704 15.399 -8.243 1.00 0.00 C ATOM 1395 CD2 LEU A 89 3.854 13.159 -7.139 1.00 0.00 C ATOM 0 H LEU A 89 0.311 14.413 -6.646 1.00 0.00 H new ATOM 0 HA LEU A 89 2.121 13.193 -5.016 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.134 15.985 -6.207 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.544 15.248 -5.472 1.00 0.00 H new ATOM 0 HG LEU A 89 2.071 14.087 -7.852 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.957 14.928 -9.193 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.051 16.253 -8.424 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.616 15.737 -7.751 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.106 12.719 -8.104 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.769 13.441 -6.619 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.306 12.431 -6.540 1.00 0.00 H new ATOM 1407 N LYS A 90 0.785 15.802 -3.535 1.00 0.00 N ATOM 1408 CA LYS A 90 0.636 16.478 -2.252 1.00 0.00 C ATOM 1409 C LYS A 90 -0.026 15.561 -1.228 1.00 0.00 C ATOM 1410 O LYS A 90 -0.934 14.792 -1.543 1.00 0.00 O ATOM 1411 CB LYS A 90 -0.191 17.755 -2.418 1.00 0.00 C ATOM 1412 CG LYS A 90 0.638 18.971 -2.797 1.00 0.00 C ATOM 1413 CD LYS A 90 0.875 19.039 -4.296 1.00 0.00 C ATOM 1414 CE LYS A 90 2.091 19.890 -4.630 1.00 0.00 C ATOM 1415 NZ LYS A 90 3.358 19.241 -4.194 1.00 0.00 N ATOM 0 H LYS A 90 0.163 16.145 -4.267 1.00 0.00 H new ATOM 0 HA LYS A 90 1.630 16.741 -1.890 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -0.950 17.590 -3.183 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -0.718 17.961 -1.486 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.129 19.877 -2.467 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.596 18.936 -2.278 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.015 18.032 -4.689 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -0.006 19.453 -4.786 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.125 20.068 -5.705 1.00 0.00 H new ATOM 0 HE3 LYS A 90 1.997 20.863 -4.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.155 19.642 -4.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.503 19.409 -3.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.303 18.218 -4.371 1.00 0.00 H new ATOM 1429 N PRO A 91 0.437 15.645 0.028 1.00 0.00 N ATOM 1430 CA PRO A 91 -0.098 14.831 1.124 1.00 0.00 C ATOM 1431 C PRO A 91 -1.514 15.242 1.514 1.00 0.00 C ATOM 1432 O PRO A 91 -1.721 16.295 2.117 1.00 0.00 O ATOM 1433 CB PRO A 91 0.874 15.103 2.275 1.00 0.00 C ATOM 1434 CG PRO A 91 1.450 16.444 1.975 1.00 0.00 C ATOM 1435 CD PRO A 91 1.517 16.540 0.476 1.00 0.00 C ATOM 0 HA PRO A 91 -0.173 13.778 0.851 1.00 0.00 H new ATOM 0 HB2 PRO A 91 0.360 15.099 3.236 1.00 0.00 H new ATOM 0 HB3 PRO A 91 1.651 14.340 2.325 1.00 0.00 H new ATOM 0 HG2 PRO A 91 0.828 17.237 2.389 1.00 0.00 H new ATOM 0 HG3 PRO A 91 2.440 16.551 2.418 1.00 0.00 H new ATOM 0 HD2 PRO A 91 1.361 17.562 0.131 1.00 0.00 H new ATOM 0 HD3 PRO A 91 2.487 16.220 0.096 1.00 0.00 H new ATOM 1443 N VAL A 92 -2.485 14.404 1.167 1.00 0.00 N ATOM 1444 CA VAL A 92 -3.882 14.680 1.482 1.00 0.00 C ATOM 1445 C VAL A 92 -4.072 14.915 2.976 1.00 0.00 C ATOM 1446 O VAL A 92 -4.922 15.705 3.389 1.00 0.00 O ATOM 1447 CB VAL A 92 -4.797 13.525 1.035 1.00 0.00 C ATOM 1448 CG1 VAL A 92 -6.256 13.866 1.298 1.00 0.00 C ATOM 1449 CG2 VAL A 92 -4.573 13.207 -0.436 1.00 0.00 C ATOM 0 H VAL A 92 -2.330 13.528 0.668 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.157 15.583 0.937 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.545 12.639 1.618 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.887 13.038 0.976 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.402 14.040 2.364 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.525 14.765 0.743 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.228 12.388 -0.735 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.796 14.089 -1.037 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.534 12.916 -0.591 1.00 0.00 H new ATOM 1459 N LEU A 93 -3.275 14.225 3.784 1.00 0.00 N ATOM 1460 CA LEU A 93 -3.354 14.359 5.234 1.00 0.00 C ATOM 1461 C LEU A 93 -2.100 15.027 5.789 1.00 0.00 C ATOM 1462 O LEU A 93 -1.240 15.479 5.033 1.00 0.00 O ATOM 1463 CB LEU A 93 -3.543 12.986 5.883 1.00 0.00 C ATOM 1464 CG LEU A 93 -4.530 12.046 5.190 1.00 0.00 C ATOM 1465 CD1 LEU A 93 -3.810 11.166 4.180 1.00 0.00 C ATOM 1466 CD2 LEU A 93 -5.265 11.195 6.214 1.00 0.00 C ATOM 0 H LEU A 93 -2.566 13.567 3.459 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.213 14.988 5.469 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.573 12.492 5.929 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.874 13.135 6.911 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.264 12.650 4.656 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.528 10.504 3.697 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.331 11.793 3.428 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.054 10.570 4.691 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.963 10.532 5.703 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.545 10.600 6.776 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.814 11.842 6.898 1.00 0.00 H new ATOM 1478 N GLU A 94 -2.003 15.085 7.114 1.00 0.00 N ATOM 1479 CA GLU A 94 -0.853 15.697 7.769 1.00 0.00 C ATOM 1480 C GLU A 94 0.095 14.632 8.313 1.00 0.00 C ATOM 1481 O GLU A 94 -0.340 13.580 8.782 1.00 0.00 O ATOM 1482 CB GLU A 94 -1.313 16.614 8.904 1.00 0.00 C ATOM 1483 CG GLU A 94 -1.502 15.894 10.229 1.00 0.00 C ATOM 1484 CD GLU A 94 -2.543 16.557 11.109 1.00 0.00 C ATOM 1485 OE1 GLU A 94 -2.171 17.451 11.897 1.00 0.00 O ATOM 1486 OE2 GLU A 94 -3.730 16.181 11.011 1.00 0.00 O ATOM 0 H GLU A 94 -2.706 14.716 7.754 1.00 0.00 H new ATOM 0 HA GLU A 94 -0.318 16.289 7.027 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -0.582 17.412 9.035 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.253 17.087 8.620 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.796 14.862 10.039 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -0.550 15.861 10.760 1.00 0.00 H new ATOM 1493 N ASP A 95 1.392 14.912 8.245 1.00 0.00 N ATOM 1494 CA ASP A 95 2.402 13.979 8.730 1.00 0.00 C ATOM 1495 C ASP A 95 2.069 12.551 8.310 1.00 0.00 C ATOM 1496 O ASP A 95 2.060 11.636 9.134 1.00 0.00 O ATOM 1497 CB ASP A 95 2.513 14.062 10.254 1.00 0.00 C ATOM 1498 CG ASP A 95 3.593 13.152 10.805 1.00 0.00 C ATOM 1499 OD1 ASP A 95 4.758 13.284 10.374 1.00 0.00 O ATOM 1500 OD2 ASP A 95 3.274 12.309 11.670 1.00 0.00 O ATOM 0 H ASP A 95 1.768 15.778 7.859 1.00 0.00 H new ATOM 0 HA ASP A 95 3.359 14.255 8.287 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.725 15.091 10.545 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.555 13.796 10.700 1.00 0.00 H new ATOM 1505 N ASP A 96 1.795 12.367 7.023 1.00 0.00 N ATOM 1506 CA ASP A 96 1.462 11.050 6.492 1.00 0.00 C ATOM 1507 C ASP A 96 2.627 10.082 6.670 1.00 0.00 C ATOM 1508 O ASP A 96 3.664 10.214 6.017 1.00 0.00 O ATOM 1509 CB ASP A 96 1.089 11.153 5.012 1.00 0.00 C ATOM 1510 CG ASP A 96 0.354 12.439 4.688 1.00 0.00 C ATOM 1511 OD1 ASP A 96 0.959 13.521 4.838 1.00 0.00 O ATOM 1512 OD2 ASP A 96 -0.826 12.363 4.285 1.00 0.00 O ATOM 0 H ASP A 96 1.797 13.113 6.328 1.00 0.00 H new ATOM 0 HA ASP A 96 0.607 10.666 7.048 1.00 0.00 H new ATOM 0 HB2 ASP A 96 1.994 11.093 4.407 1.00 0.00 H new ATOM 0 HB3 ASP A 96 0.465 10.302 4.738 1.00 0.00 H new ATOM 1517 N LEU A 97 2.452 9.109 7.558 1.00 0.00 N ATOM 1518 CA LEU A 97 3.489 8.119 7.823 1.00 0.00 C ATOM 1519 C LEU A 97 3.665 7.183 6.631 1.00 0.00 C ATOM 1520 O LEU A 97 4.761 6.678 6.381 1.00 0.00 O ATOM 1521 CB LEU A 97 3.142 7.310 9.074 1.00 0.00 C ATOM 1522 CG LEU A 97 2.941 8.114 10.359 1.00 0.00 C ATOM 1523 CD1 LEU A 97 2.180 7.294 11.388 1.00 0.00 C ATOM 1524 CD2 LEU A 97 4.281 8.567 10.920 1.00 0.00 C ATOM 0 H LEU A 97 1.601 8.985 8.107 1.00 0.00 H new ATOM 0 HA LEU A 97 4.428 8.648 7.989 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.231 6.746 8.876 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.936 6.583 9.244 1.00 0.00 H new ATOM 0 HG LEU A 97 2.351 8.999 10.122 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.046 7.883 12.296 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.204 7.021 10.986 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.743 6.390 11.621 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.118 9.138 11.834 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.896 7.695 11.141 1.00 0.00 H new ATOM 0 HD23 LEU A 97 4.789 9.193 10.187 1.00 0.00 H new ATOM 1536 N LEU A 98 2.581 6.957 5.897 1.00 0.00 N ATOM 1537 CA LEU A 98 2.616 6.084 4.730 1.00 0.00 C ATOM 1538 C LEU A 98 3.503 6.671 3.636 1.00 0.00 C ATOM 1539 O LEU A 98 4.238 5.947 2.963 1.00 0.00 O ATOM 1540 CB LEU A 98 1.201 5.863 4.191 1.00 0.00 C ATOM 1541 CG LEU A 98 0.214 5.195 5.149 1.00 0.00 C ATOM 1542 CD1 LEU A 98 -1.169 5.117 4.522 1.00 0.00 C ATOM 1543 CD2 LEU A 98 0.705 3.808 5.538 1.00 0.00 C ATOM 0 H LEU A 98 1.667 7.367 6.090 1.00 0.00 H new ATOM 0 HA LEU A 98 3.035 5.126 5.037 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.792 6.829 3.895 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.268 5.255 3.289 1.00 0.00 H new ATOM 0 HG LEU A 98 0.147 5.801 6.052 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.858 4.639 5.218 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.523 6.123 4.295 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.119 4.534 3.603 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.009 3.347 6.220 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.802 3.192 4.644 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.675 3.890 6.029 1.00 0.00 H new ATOM 1555 N LEU A 99 3.431 7.986 3.467 1.00 0.00 N ATOM 1556 CA LEU A 99 4.229 8.672 2.456 1.00 0.00 C ATOM 1557 C LEU A 99 5.712 8.631 2.814 1.00 0.00 C ATOM 1558 O LEU A 99 6.565 8.470 1.942 1.00 0.00 O ATOM 1559 CB LEU A 99 3.768 10.123 2.312 1.00 0.00 C ATOM 1560 CG LEU A 99 2.557 10.356 1.408 1.00 0.00 C ATOM 1561 CD1 LEU A 99 1.332 9.646 1.963 1.00 0.00 C ATOM 1562 CD2 LEU A 99 2.287 11.845 1.251 1.00 0.00 C ATOM 0 H LEU A 99 2.829 8.599 4.016 1.00 0.00 H new ATOM 0 HA LEU A 99 4.088 8.157 1.506 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.535 10.509 3.304 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.601 10.712 1.928 1.00 0.00 H new ATOM 0 HG LEU A 99 2.777 9.941 0.424 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.480 9.823 1.306 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.528 8.575 2.022 1.00 0.00 H new ATOM 0 HD13 LEU A 99 1.109 10.030 2.958 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.422 11.992 0.604 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.088 12.284 2.229 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.158 12.328 0.807 1.00 0.00 H new ATOM 1574 N GLN A 100 6.009 8.774 4.101 1.00 0.00 N ATOM 1575 CA GLN A 100 7.388 8.752 4.573 1.00 0.00 C ATOM 1576 C GLN A 100 7.863 7.320 4.800 1.00 0.00 C ATOM 1577 O GLN A 100 8.781 7.076 5.583 1.00 0.00 O ATOM 1578 CB GLN A 100 7.520 9.556 5.868 1.00 0.00 C ATOM 1579 CG GLN A 100 7.071 8.795 7.105 1.00 0.00 C ATOM 1580 CD GLN A 100 6.985 9.678 8.334 1.00 0.00 C ATOM 1581 OE1 GLN A 100 6.040 10.451 8.493 1.00 0.00 O ATOM 1582 NE2 GLN A 100 7.975 9.569 9.212 1.00 0.00 N ATOM 0 H GLN A 100 5.314 8.906 4.835 1.00 0.00 H new ATOM 0 HA GLN A 100 8.015 9.207 3.806 1.00 0.00 H new ATOM 0 HB2 GLN A 100 8.560 9.857 5.994 1.00 0.00 H new ATOM 0 HB3 GLN A 100 6.932 10.470 5.780 1.00 0.00 H new ATOM 0 HG2 GLN A 100 6.096 8.345 6.916 1.00 0.00 H new ATOM 0 HG3 GLN A 100 7.767 7.978 7.297 1.00 0.00 H new ATOM 0 HE21 GLN A 100 8.739 8.915 9.041 1.00 0.00 H new ATOM 0 HE22 GLN A 100 7.972 10.139 10.058 1.00 0.00 H new ATOM 1591 N PHE A 101 7.231 6.376 4.109 1.00 0.00 N ATOM 1592 CA PHE A 101 7.588 4.968 4.236 1.00 0.00 C ATOM 1593 C PHE A 101 8.695 4.597 3.254 1.00 0.00 C ATOM 1594 O PHE A 101 8.705 5.054 2.111 1.00 0.00 O ATOM 1595 CB PHE A 101 6.361 4.086 3.996 1.00 0.00 C ATOM 1596 CG PHE A 101 6.698 2.639 3.772 1.00 0.00 C ATOM 1597 CD1 PHE A 101 7.003 2.173 2.504 1.00 0.00 C ATOM 1598 CD2 PHE A 101 6.710 1.746 4.831 1.00 0.00 C ATOM 1599 CE1 PHE A 101 7.312 0.842 2.296 1.00 0.00 C ATOM 1600 CE2 PHE A 101 7.019 0.413 4.629 1.00 0.00 C ATOM 1601 CZ PHE A 101 7.321 -0.038 3.360 1.00 0.00 C ATOM 0 H PHE A 101 6.470 6.561 3.456 1.00 0.00 H new ATOM 0 HA PHE A 101 7.954 4.801 5.249 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.692 4.167 4.853 1.00 0.00 H new ATOM 0 HB3 PHE A 101 5.817 4.462 3.130 1.00 0.00 H new ATOM 0 HD1 PHE A 101 6.999 2.857 1.668 1.00 0.00 H new ATOM 0 HD2 PHE A 101 6.475 2.095 5.826 1.00 0.00 H new ATOM 0 HE1 PHE A 101 7.546 0.491 1.302 1.00 0.00 H new ATOM 0 HE2 PHE A 101 7.024 -0.274 5.463 1.00 0.00 H new ATOM 0 HZ PHE A 101 7.564 -1.078 3.199 1.00 0.00 H new ATOM 1611 N ASP A 102 9.627 3.766 3.709 1.00 0.00 N ATOM 1612 CA ASP A 102 10.740 3.333 2.872 1.00 0.00 C ATOM 1613 C ASP A 102 10.259 2.384 1.778 1.00 0.00 C ATOM 1614 O ASP A 102 10.227 1.168 1.967 1.00 0.00 O ATOM 1615 CB ASP A 102 11.810 2.649 3.724 1.00 0.00 C ATOM 1616 CG ASP A 102 11.215 1.750 4.790 1.00 0.00 C ATOM 1617 OD1 ASP A 102 10.557 2.278 5.712 1.00 0.00 O ATOM 1618 OD2 ASP A 102 11.406 0.520 4.703 1.00 0.00 O ATOM 0 H ASP A 102 9.634 3.379 4.653 1.00 0.00 H new ATOM 0 HA ASP A 102 11.172 4.215 2.399 1.00 0.00 H new ATOM 0 HB2 ASP A 102 12.462 2.060 3.079 1.00 0.00 H new ATOM 0 HB3 ASP A 102 12.432 3.408 4.199 1.00 0.00 H new ATOM 1623 N VAL A 103 9.885 2.949 0.635 1.00 0.00 N ATOM 1624 CA VAL A 103 9.406 2.153 -0.490 1.00 0.00 C ATOM 1625 C VAL A 103 10.561 1.463 -1.206 1.00 0.00 C ATOM 1626 O VAL A 103 10.402 0.371 -1.750 1.00 0.00 O ATOM 1627 CB VAL A 103 8.633 3.020 -1.501 1.00 0.00 C ATOM 1628 CG1 VAL A 103 9.536 4.099 -2.080 1.00 0.00 C ATOM 1629 CG2 VAL A 103 8.047 2.154 -2.606 1.00 0.00 C ATOM 0 H VAL A 103 9.904 3.954 0.463 1.00 0.00 H new ATOM 0 HA VAL A 103 8.734 1.398 -0.081 1.00 0.00 H new ATOM 0 HB VAL A 103 7.811 3.510 -0.980 1.00 0.00 H new ATOM 0 HG11 VAL A 103 8.972 4.702 -2.792 1.00 0.00 H new ATOM 0 HG12 VAL A 103 9.903 4.737 -1.276 1.00 0.00 H new ATOM 0 HG13 VAL A 103 10.381 3.633 -2.587 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.504 2.783 -3.312 1.00 0.00 H new ATOM 0 HG22 VAL A 103 8.852 1.635 -3.127 1.00 0.00 H new ATOM 0 HG23 VAL A 103 7.365 1.423 -2.172 1.00 0.00 H new ATOM 1639 N GLU A 104 11.723 2.108 -1.201 1.00 0.00 N ATOM 1640 CA GLU A 104 12.905 1.555 -1.852 1.00 0.00 C ATOM 1641 C GLU A 104 13.135 0.108 -1.425 1.00 0.00 C ATOM 1642 O GLU A 104 13.492 -0.742 -2.241 1.00 0.00 O ATOM 1643 CB GLU A 104 14.139 2.398 -1.520 1.00 0.00 C ATOM 1644 CG GLU A 104 14.014 3.852 -1.943 1.00 0.00 C ATOM 1645 CD GLU A 104 15.197 4.692 -1.501 1.00 0.00 C ATOM 1646 OE1 GLU A 104 16.328 4.163 -1.486 1.00 0.00 O ATOM 1647 OE2 GLU A 104 14.991 5.878 -1.171 1.00 0.00 O ATOM 0 H GLU A 104 11.871 3.013 -0.754 1.00 0.00 H new ATOM 0 HA GLU A 104 12.738 1.576 -2.929 1.00 0.00 H new ATOM 0 HB2 GLU A 104 14.320 2.355 -0.446 1.00 0.00 H new ATOM 0 HB3 GLU A 104 15.010 1.960 -2.008 1.00 0.00 H new ATOM 0 HG2 GLU A 104 13.921 3.904 -3.028 1.00 0.00 H new ATOM 0 HG3 GLU A 104 13.099 4.271 -1.524 1.00 0.00 H new ATOM 1654 N ASP A 105 12.927 -0.164 -0.141 1.00 0.00 N ATOM 1655 CA ASP A 105 13.110 -1.507 0.395 1.00 0.00 C ATOM 1656 C ASP A 105 12.448 -2.546 -0.504 1.00 0.00 C ATOM 1657 O ASP A 105 12.969 -3.648 -0.686 1.00 0.00 O ATOM 1658 CB ASP A 105 12.535 -1.598 1.809 1.00 0.00 C ATOM 1659 CG ASP A 105 11.090 -2.057 1.818 1.00 0.00 C ATOM 1660 OD1 ASP A 105 10.844 -3.248 1.535 1.00 0.00 O ATOM 1661 OD2 ASP A 105 10.205 -1.225 2.109 1.00 0.00 O ATOM 0 H ASP A 105 12.632 0.528 0.547 1.00 0.00 H new ATOM 0 HA ASP A 105 14.180 -1.714 0.432 1.00 0.00 H new ATOM 0 HB2 ASP A 105 13.137 -2.290 2.399 1.00 0.00 H new ATOM 0 HB3 ASP A 105 12.606 -0.623 2.291 1.00 0.00 H new ATOM 1666 N LEU A 106 11.297 -2.190 -1.063 1.00 0.00 N ATOM 1667 CA LEU A 106 10.563 -3.092 -1.944 1.00 0.00 C ATOM 1668 C LEU A 106 11.351 -3.369 -3.220 1.00 0.00 C ATOM 1669 O LEU A 106 11.306 -4.474 -3.762 1.00 0.00 O ATOM 1670 CB LEU A 106 9.198 -2.496 -2.292 1.00 0.00 C ATOM 1671 CG LEU A 106 8.297 -2.142 -1.108 1.00 0.00 C ATOM 1672 CD1 LEU A 106 6.947 -1.642 -1.596 1.00 0.00 C ATOM 1673 CD2 LEU A 106 8.124 -3.345 -0.192 1.00 0.00 C ATOM 0 H LEU A 106 10.852 -1.283 -0.922 1.00 0.00 H new ATOM 0 HA LEU A 106 10.418 -4.036 -1.418 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.358 -1.594 -2.883 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.667 -3.204 -2.928 1.00 0.00 H new ATOM 0 HG LEU A 106 8.773 -1.343 -0.539 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.319 -1.395 -0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.089 -0.753 -2.211 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.464 -2.419 -2.188 1.00 0.00 H new ATOM 0 HD21 LEU A 106 7.480 -3.075 0.645 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.670 -4.164 -0.749 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.098 -3.658 0.185 1.00 0.00 H new ATOM 1685 N TYR A 107 12.073 -2.360 -3.694 1.00 0.00 N ATOM 1686 CA TYR A 107 12.871 -2.494 -4.907 1.00 0.00 C ATOM 1687 C TYR A 107 13.984 -3.520 -4.715 1.00 0.00 C ATOM 1688 O TYR A 107 14.930 -3.291 -3.963 1.00 0.00 O ATOM 1689 CB TYR A 107 13.470 -1.143 -5.301 1.00 0.00 C ATOM 1690 CG TYR A 107 12.437 -0.056 -5.493 1.00 0.00 C ATOM 1691 CD1 TYR A 107 11.101 -0.371 -5.713 1.00 0.00 C ATOM 1692 CD2 TYR A 107 12.796 1.286 -5.457 1.00 0.00 C ATOM 1693 CE1 TYR A 107 10.154 0.619 -5.890 1.00 0.00 C ATOM 1694 CE2 TYR A 107 11.855 2.282 -5.631 1.00 0.00 C ATOM 1695 CZ TYR A 107 10.536 1.944 -5.848 1.00 0.00 C ATOM 1696 OH TYR A 107 9.596 2.933 -6.024 1.00 0.00 O ATOM 0 H TYR A 107 12.122 -1.440 -3.257 1.00 0.00 H new ATOM 0 HA TYR A 107 12.216 -2.840 -5.706 1.00 0.00 H new ATOM 0 HB2 TYR A 107 14.176 -0.830 -4.532 1.00 0.00 H new ATOM 0 HB3 TYR A 107 14.036 -1.262 -6.225 1.00 0.00 H new ATOM 0 HD1 TYR A 107 10.798 -1.407 -5.746 1.00 0.00 H new ATOM 0 HD2 TYR A 107 13.829 1.555 -5.290 1.00 0.00 H new ATOM 0 HE1 TYR A 107 9.120 0.357 -6.060 1.00 0.00 H new ATOM 0 HE2 TYR A 107 12.151 3.320 -5.597 1.00 0.00 H new ATOM 0 HH TYR A 107 8.764 2.538 -6.360 1.00 0.00 H new ATOM 1706 N GLU A 108 13.862 -4.651 -5.403 1.00 0.00 N ATOM 1707 CA GLU A 108 14.857 -5.713 -5.309 1.00 0.00 C ATOM 1708 C GLU A 108 15.413 -6.061 -6.687 1.00 0.00 C ATOM 1709 O GLU A 108 14.746 -5.906 -7.710 1.00 0.00 O ATOM 1710 CB GLU A 108 14.247 -6.958 -4.663 1.00 0.00 C ATOM 1711 CG GLU A 108 13.017 -7.479 -5.387 1.00 0.00 C ATOM 1712 CD GLU A 108 13.355 -8.151 -6.703 1.00 0.00 C ATOM 1713 OE1 GLU A 108 13.968 -9.239 -6.674 1.00 0.00 O ATOM 1714 OE2 GLU A 108 13.005 -7.590 -7.762 1.00 0.00 O ATOM 0 H GLU A 108 13.085 -4.855 -6.031 1.00 0.00 H new ATOM 0 HA GLU A 108 15.676 -5.354 -4.686 1.00 0.00 H new ATOM 0 HB2 GLU A 108 15.000 -7.746 -4.630 1.00 0.00 H new ATOM 0 HB3 GLU A 108 13.981 -6.728 -3.631 1.00 0.00 H new ATOM 0 HG2 GLU A 108 12.495 -8.189 -4.745 1.00 0.00 H new ATOM 0 HG3 GLU A 108 12.331 -6.652 -5.571 1.00 0.00 H new ATOM 1721 N PRO A 109 16.664 -6.544 -6.716 1.00 0.00 N ATOM 1722 CA PRO A 109 17.337 -6.925 -7.961 1.00 0.00 C ATOM 1723 C PRO A 109 16.735 -8.179 -8.586 1.00 0.00 C ATOM 1724 O PRO A 109 16.107 -8.986 -7.900 1.00 0.00 O ATOM 1725 CB PRO A 109 18.779 -7.188 -7.518 1.00 0.00 C ATOM 1726 CG PRO A 109 18.672 -7.551 -6.077 1.00 0.00 C ATOM 1727 CD PRO A 109 17.517 -6.756 -5.534 1.00 0.00 C ATOM 0 HA PRO A 109 17.245 -6.154 -8.726 1.00 0.00 H new ATOM 0 HB2 PRO A 109 19.230 -7.994 -8.097 1.00 0.00 H new ATOM 0 HB3 PRO A 109 19.404 -6.306 -7.659 1.00 0.00 H new ATOM 0 HG2 PRO A 109 18.501 -8.621 -5.956 1.00 0.00 H new ATOM 0 HG3 PRO A 109 19.593 -7.313 -5.545 1.00 0.00 H new ATOM 0 HD2 PRO A 109 16.989 -7.298 -4.749 1.00 0.00 H new ATOM 0 HD3 PRO A 109 17.847 -5.811 -5.102 1.00 0.00 H new ATOM 1735 N VAL A 110 16.930 -8.336 -9.891 1.00 0.00 N ATOM 1736 CA VAL A 110 16.407 -9.492 -10.608 1.00 0.00 C ATOM 1737 C VAL A 110 17.372 -10.670 -10.530 1.00 0.00 C ATOM 1738 O VAL A 110 17.386 -11.533 -11.407 1.00 0.00 O ATOM 1739 CB VAL A 110 16.138 -9.160 -12.088 1.00 0.00 C ATOM 1740 CG1 VAL A 110 17.424 -9.241 -12.896 1.00 0.00 C ATOM 1741 CG2 VAL A 110 15.080 -10.093 -12.659 1.00 0.00 C ATOM 0 H VAL A 110 17.447 -7.677 -10.473 1.00 0.00 H new ATOM 0 HA VAL A 110 15.467 -9.764 -10.128 1.00 0.00 H new ATOM 0 HB VAL A 110 15.762 -8.139 -12.151 1.00 0.00 H new ATOM 0 HG11 VAL A 110 17.214 -9.003 -13.939 1.00 0.00 H new ATOM 0 HG12 VAL A 110 18.148 -8.529 -12.500 1.00 0.00 H new ATOM 0 HG13 VAL A 110 17.833 -10.249 -12.829 1.00 0.00 H new ATOM 0 HG21 VAL A 110 14.902 -9.844 -13.705 1.00 0.00 H new ATOM 0 HG22 VAL A 110 15.426 -11.124 -12.585 1.00 0.00 H new ATOM 0 HG23 VAL A 110 14.153 -9.980 -12.097 1.00 0.00 H new ATOM 1751 N SER A 111 18.177 -10.698 -9.473 1.00 0.00 N ATOM 1752 CA SER A 111 19.149 -11.769 -9.282 1.00 0.00 C ATOM 1753 C SER A 111 18.680 -12.741 -8.204 1.00 0.00 C ATOM 1754 O SER A 111 18.361 -12.340 -7.084 1.00 0.00 O ATOM 1755 CB SER A 111 20.512 -11.187 -8.901 1.00 0.00 C ATOM 1756 OG SER A 111 21.565 -12.032 -9.332 1.00 0.00 O ATOM 0 H SER A 111 18.176 -9.992 -8.736 1.00 0.00 H new ATOM 0 HA SER A 111 19.244 -12.313 -10.222 1.00 0.00 H new ATOM 0 HB2 SER A 111 20.627 -10.200 -9.348 1.00 0.00 H new ATOM 0 HB3 SER A 111 20.566 -11.056 -7.820 1.00 0.00 H new ATOM 0 HG SER A 111 22.426 -11.638 -9.078 1.00 0.00 H new ATOM 1762 N THR A 112 18.640 -14.024 -8.550 1.00 0.00 N ATOM 1763 CA THR A 112 18.209 -15.056 -7.615 1.00 0.00 C ATOM 1764 C THR A 112 19.380 -15.566 -6.781 1.00 0.00 C ATOM 1765 O THR A 112 20.451 -15.879 -7.299 1.00 0.00 O ATOM 1766 CB THR A 112 17.559 -16.244 -8.348 1.00 0.00 C ATOM 1767 OG1 THR A 112 16.948 -15.795 -9.562 1.00 0.00 O ATOM 1768 CG2 THR A 112 16.518 -16.919 -7.469 1.00 0.00 C ATOM 0 H THR A 112 18.901 -14.373 -9.472 1.00 0.00 H new ATOM 0 HA THR A 112 17.470 -14.598 -6.958 1.00 0.00 H new ATOM 0 HB THR A 112 18.339 -16.969 -8.581 1.00 0.00 H new ATOM 0 HG1 THR A 112 16.538 -16.557 -10.023 1.00 0.00 H new ATOM 0 HG21 THR A 112 16.073 -17.755 -8.009 1.00 0.00 H new ATOM 0 HG22 THR A 112 16.993 -17.286 -6.559 1.00 0.00 H new ATOM 0 HG23 THR A 112 15.741 -16.201 -7.208 1.00 0.00 H new ATOM 1776 N PRO A 113 19.172 -15.652 -5.459 1.00 0.00 N ATOM 1777 CA PRO A 113 20.199 -16.126 -4.526 1.00 0.00 C ATOM 1778 C PRO A 113 20.478 -17.617 -4.679 1.00 0.00 C ATOM 1779 O PRO A 113 21.283 -18.187 -3.942 1.00 0.00 O ATOM 1780 CB PRO A 113 19.592 -15.833 -3.152 1.00 0.00 C ATOM 1781 CG PRO A 113 18.120 -15.829 -3.381 1.00 0.00 C ATOM 1782 CD PRO A 113 17.919 -15.295 -4.773 1.00 0.00 C ATOM 0 HA PRO A 113 21.159 -15.639 -4.695 1.00 0.00 H new ATOM 0 HB2 PRO A 113 19.877 -16.592 -2.423 1.00 0.00 H new ATOM 0 HB3 PRO A 113 19.935 -14.874 -2.764 1.00 0.00 H new ATOM 0 HG2 PRO A 113 17.707 -16.833 -3.285 1.00 0.00 H new ATOM 0 HG3 PRO A 113 17.612 -15.204 -2.646 1.00 0.00 H new ATOM 0 HD2 PRO A 113 17.053 -15.748 -5.256 1.00 0.00 H new ATOM 0 HD3 PRO A 113 17.755 -14.217 -4.770 1.00 0.00 H new ATOM 1790 N PHE A 114 19.809 -18.244 -5.641 1.00 0.00 N ATOM 1791 CA PHE A 114 19.985 -19.670 -5.890 1.00 0.00 C ATOM 1792 C PHE A 114 20.247 -19.935 -7.369 1.00 0.00 C ATOM 1793 O PHE A 114 19.319 -19.988 -8.176 1.00 0.00 O ATOM 1794 CB PHE A 114 18.747 -20.446 -5.433 1.00 0.00 C ATOM 1795 CG PHE A 114 18.769 -20.805 -3.975 1.00 0.00 C ATOM 1796 CD1 PHE A 114 19.486 -21.903 -3.529 1.00 0.00 C ATOM 1797 CD2 PHE A 114 18.073 -20.043 -3.050 1.00 0.00 C ATOM 1798 CE1 PHE A 114 19.508 -22.236 -2.188 1.00 0.00 C ATOM 1799 CE2 PHE A 114 18.091 -20.371 -1.707 1.00 0.00 C ATOM 1800 CZ PHE A 114 18.810 -21.469 -1.276 1.00 0.00 C ATOM 0 H PHE A 114 19.140 -17.787 -6.261 1.00 0.00 H new ATOM 0 HA PHE A 114 20.849 -20.009 -5.319 1.00 0.00 H new ATOM 0 HB2 PHE A 114 17.858 -19.850 -5.639 1.00 0.00 H new ATOM 0 HB3 PHE A 114 18.662 -21.359 -6.023 1.00 0.00 H new ATOM 0 HD1 PHE A 114 20.034 -22.506 -4.238 1.00 0.00 H new ATOM 0 HD2 PHE A 114 17.510 -19.183 -3.382 1.00 0.00 H new ATOM 0 HE1 PHE A 114 20.070 -23.095 -1.854 1.00 0.00 H new ATOM 0 HE2 PHE A 114 17.544 -19.770 -0.996 1.00 0.00 H new ATOM 0 HZ PHE A 114 18.826 -21.727 -0.227 1.00 0.00 H new ATOM 1810 N SER A 115 21.519 -20.101 -7.718 1.00 0.00 N ATOM 1811 CA SER A 115 21.906 -20.356 -9.100 1.00 0.00 C ATOM 1812 C SER A 115 22.494 -21.756 -9.250 1.00 0.00 C ATOM 1813 O SER A 115 23.706 -21.946 -9.154 1.00 0.00 O ATOM 1814 CB SER A 115 22.921 -19.312 -9.569 1.00 0.00 C ATOM 1815 OG SER A 115 23.337 -19.567 -10.900 1.00 0.00 O ATOM 0 H SER A 115 22.299 -20.063 -7.062 1.00 0.00 H new ATOM 0 HA SER A 115 21.012 -20.287 -9.720 1.00 0.00 H new ATOM 0 HB2 SER A 115 22.479 -18.317 -9.507 1.00 0.00 H new ATOM 0 HB3 SER A 115 23.787 -19.318 -8.907 1.00 0.00 H new ATOM 0 HG SER A 115 23.984 -18.885 -11.177 1.00 0.00 H new ATOM 1821 N SER A 116 21.625 -22.734 -9.487 1.00 0.00 N ATOM 1822 CA SER A 116 22.056 -24.118 -9.647 1.00 0.00 C ATOM 1823 C SER A 116 20.984 -24.943 -10.352 1.00 0.00 C ATOM 1824 O SER A 116 19.886 -24.456 -10.619 1.00 0.00 O ATOM 1825 CB SER A 116 22.376 -24.735 -8.284 1.00 0.00 C ATOM 1826 OG SER A 116 21.196 -24.947 -7.530 1.00 0.00 O ATOM 0 H SER A 116 20.618 -22.593 -9.572 1.00 0.00 H new ATOM 0 HA SER A 116 22.956 -24.124 -10.261 1.00 0.00 H new ATOM 0 HB2 SER A 116 22.897 -25.682 -8.424 1.00 0.00 H new ATOM 0 HB3 SER A 116 23.050 -24.079 -7.733 1.00 0.00 H new ATOM 0 HG SER A 116 21.428 -25.344 -6.664 1.00 0.00 H new ATOM 1832 N GLY A 117 21.311 -26.196 -10.650 1.00 0.00 N ATOM 1833 CA GLY A 117 20.367 -27.070 -11.322 1.00 0.00 C ATOM 1834 C GLY A 117 21.052 -28.180 -12.095 1.00 0.00 C ATOM 1835 O GLY A 117 21.236 -28.097 -13.309 1.00 0.00 O ATOM 0 H GLY A 117 22.213 -26.622 -10.438 1.00 0.00 H new ATOM 0 HA2 GLY A 117 19.693 -27.507 -10.585 1.00 0.00 H new ATOM 0 HA3 GLY A 117 19.754 -26.481 -12.004 1.00 0.00 H new ATOM 1839 N PRO A 118 21.444 -29.247 -11.383 1.00 0.00 N ATOM 1840 CA PRO A 118 22.120 -30.398 -11.990 1.00 0.00 C ATOM 1841 C PRO A 118 21.190 -31.212 -12.883 1.00 0.00 C ATOM 1842 O PRO A 118 20.395 -32.017 -12.398 1.00 0.00 O ATOM 1843 CB PRO A 118 22.561 -31.227 -10.782 1.00 0.00 C ATOM 1844 CG PRO A 118 21.608 -30.856 -9.699 1.00 0.00 C ATOM 1845 CD PRO A 118 21.257 -29.413 -9.932 1.00 0.00 C ATOM 0 HA PRO A 118 22.941 -30.093 -12.638 1.00 0.00 H new ATOM 0 HB2 PRO A 118 22.519 -32.295 -10.998 1.00 0.00 H new ATOM 0 HB3 PRO A 118 23.589 -30.999 -10.500 1.00 0.00 H new ATOM 0 HG2 PRO A 118 20.718 -31.484 -9.731 1.00 0.00 H new ATOM 0 HG3 PRO A 118 22.061 -30.994 -8.717 1.00 0.00 H new ATOM 0 HD2 PRO A 118 20.232 -29.195 -9.631 1.00 0.00 H new ATOM 0 HD3 PRO A 118 21.905 -28.745 -9.364 1.00 0.00 H new ATOM 1853 N SER A 119 21.294 -30.997 -14.191 1.00 0.00 N ATOM 1854 CA SER A 119 20.460 -31.708 -15.152 1.00 0.00 C ATOM 1855 C SER A 119 21.156 -32.974 -15.643 1.00 0.00 C ATOM 1856 O SER A 119 22.125 -32.909 -16.399 1.00 0.00 O ATOM 1857 CB SER A 119 20.126 -30.802 -16.339 1.00 0.00 C ATOM 1858 OG SER A 119 19.506 -31.535 -17.381 1.00 0.00 O ATOM 0 H SER A 119 21.948 -30.336 -14.609 1.00 0.00 H new ATOM 0 HA SER A 119 19.535 -31.994 -14.651 1.00 0.00 H new ATOM 0 HB2 SER A 119 19.466 -29.998 -16.013 1.00 0.00 H new ATOM 0 HB3 SER A 119 21.037 -30.334 -16.711 1.00 0.00 H new ATOM 0 HG SER A 119 19.301 -30.933 -18.127 1.00 0.00 H new ATOM 1864 N SER A 120 20.654 -34.125 -15.208 1.00 0.00 N ATOM 1865 CA SER A 120 21.228 -35.407 -15.600 1.00 0.00 C ATOM 1866 C SER A 120 20.383 -36.073 -16.681 1.00 0.00 C ATOM 1867 O SER A 120 20.898 -36.494 -17.716 1.00 0.00 O ATOM 1868 CB SER A 120 21.345 -36.330 -14.385 1.00 0.00 C ATOM 1869 OG SER A 120 20.073 -36.582 -13.813 1.00 0.00 O ATOM 0 H SER A 120 19.851 -34.196 -14.584 1.00 0.00 H new ATOM 0 HA SER A 120 22.223 -35.223 -16.004 1.00 0.00 H new ATOM 0 HB2 SER A 120 21.807 -37.272 -14.682 1.00 0.00 H new ATOM 0 HB3 SER A 120 21.999 -35.876 -13.640 1.00 0.00 H new ATOM 0 HG SER A 120 20.174 -37.175 -13.040 1.00 0.00 H new ATOM 1875 N GLY A 121 19.080 -36.166 -16.431 1.00 0.00 N ATOM 1876 CA GLY A 121 18.184 -36.783 -17.391 1.00 0.00 C ATOM 1877 C GLY A 121 17.685 -38.138 -16.931 1.00 0.00 C ATOM 1878 O GLY A 121 18.480 -38.928 -16.424 1.00 0.00 O ATOM 0 H GLY A 121 18.630 -35.825 -15.582 1.00 0.00 H new ATOM 0 HA2 GLY A 121 17.332 -36.125 -17.563 1.00 0.00 H new ATOM 0 HA3 GLY A 121 18.699 -36.894 -18.345 1.00 0.00 H new TER 1882 GLY A 121 HETATM 1883 ZN ZN A 201 -8.597 -0.407 6.800 1.00 0.00 ZN