USER MOD reduce.3.24.130724 H: found=0, std=0, add=899, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 899 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 54 GLN :FLIP amide:sc= -0.627 F(o=-3!,f=0.14) USER MOD Set 1.2: A 55 ASN : amide:sc= 0.763 K(o=0.14,f=-0.74) USER MOD Set 2.1: A 9 GLN : amide:sc= -9.74! C(o=-8.7!,f=-13!) USER MOD Set 2.2: A 65 TYR OH : rot -174:sc= 1.05 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0 (180deg=-0.089) USER MOD Single : A 2 SER OG : rot -170:sc= -1.26 USER MOD Single : A 3 THR OG1 : rot 127:sc= 1.29 USER MOD Single : A 4 THR OG1 : rot -160:sc= 1.05 USER MOD Single : A 7 LYS NZ :NH3+ 173:sc=-0.00443 (180deg=-0.076) USER MOD Single : A 11 GLN : amide:sc= -0.165 X(o=-0.17,f=-0.17) USER MOD Single : A 15 ASN : amide:sc= -11.2! C(o=-11!,f=-13!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl -158:sc= -11.2! (180deg=-12.8!) USER MOD Single : A 22 LYS NZ :NH3+ -125:sc= 0.128 (180deg=-0.0613) USER MOD Single : A 24 SER OG : rot 180:sc= -0.131 USER MOD Single : A 26 LYS NZ :NH3+ -171:sc= -0.0125 (180deg=-0.106) USER MOD Single : A 29 SER OG : rot -130:sc= 0 USER MOD Single : A 30 CYS SG : rot -22:sc= -0.0108 USER MOD Single : A 33 SER OG : rot -33:sc= 0.574 USER MOD Single : A 35 GLN :FLIP amide:sc= -1.15 F(o=-6.3!,f=-1.1) USER MOD Single : A 38 GLN :FLIP amide:sc= -1.12 F(o=-4.2!,f=-1.1) USER MOD Single : A 43 CYS SG : rot -78:sc= -0.182 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 170:sc= 1.24 (180deg=1.22) USER MOD Single : A 67 ASN : amide:sc= 0.878 K(o=0.88,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc=-0.00513 USER MOD Single : A 73 GLN :FLIP amide:sc= -0.999! C(o=-3.1!,f=-1!) USER MOD Single : A 84 CYS SG : rot 96:sc= 1.25 USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.925 K(o=-0.93,f=-4.1!) USER MOD Single : A 97 GLN : amide:sc= -1.11 K(o=-1.1,f=-4.6!) USER MOD Single : A 98 GLN : amide:sc= -0.219 X(o=-0.22,f=-0.22) USER MOD Single : A 101 LYS NZ :NH3+ -137:sc= 1.22 (180deg=-0.96) USER MOD Single : A 103 THR OG1 : rot 83:sc= 1.05 USER MOD Single : A 106 LYS NZ :NH3+ -147:sc= -3.42! (180deg=-5.63!) USER MOD Single : A 107 TYR OH : rot 135:sc= 1.16 USER MOD Single : A 108 LYS NZ :NH3+ -161:sc= -0.0756 (180deg=-0.437) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 22.365 13.154 8.871 1.00 0.00 N ATOM 2 CA MET A 1 21.114 12.456 9.257 1.00 0.00 C ATOM 3 C MET A 1 20.442 11.836 8.036 1.00 0.00 C ATOM 4 O MET A 1 19.979 10.694 8.089 1.00 0.00 O ATOM 5 CB MET A 1 20.174 13.463 9.929 1.00 0.00 C ATOM 6 CG MET A 1 18.874 12.850 10.421 1.00 0.00 C ATOM 7 SD MET A 1 17.785 14.062 11.195 1.00 0.00 S ATOM 8 CE MET A 1 16.413 13.022 11.688 1.00 0.00 C ATOM 0 H1 MET A 1 22.892 13.421 9.727 1.00 0.00 H new ATOM 0 H2 MET A 1 22.950 12.522 8.288 1.00 0.00 H new ATOM 0 H3 MET A 1 22.132 14.009 8.327 1.00 0.00 H new ATOM 0 HA MET A 1 21.349 11.650 9.952 1.00 0.00 H new ATOM 0 HB2 MET A 1 20.691 13.923 10.772 1.00 0.00 H new ATOM 0 HB3 MET A 1 19.945 14.261 9.222 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.356 12.385 9.583 1.00 0.00 H new ATOM 0 HG3 MET A 1 19.098 12.059 11.136 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.655 13.630 12.182 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.980 12.548 10.807 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.767 12.254 12.375 1.00 0.00 H new ATOM 20 N SER A 2 20.391 12.617 6.952 1.00 0.00 N ATOM 21 CA SER A 2 19.776 12.217 5.687 1.00 0.00 C ATOM 22 C SER A 2 18.255 12.121 5.813 1.00 0.00 C ATOM 23 O SER A 2 17.714 11.379 6.634 1.00 0.00 O ATOM 24 CB SER A 2 20.371 10.894 5.188 1.00 0.00 C ATOM 25 OG SER A 2 19.823 10.519 3.935 1.00 0.00 O ATOM 0 H SER A 2 20.782 13.559 6.931 1.00 0.00 H new ATOM 0 HA SER A 2 19.997 12.989 4.950 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.453 10.991 5.099 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.180 10.109 5.920 1.00 0.00 H new ATOM 0 HG SER A 2 20.099 9.604 3.718 1.00 0.00 H new ATOM 31 N THR A 3 17.573 12.891 4.984 1.00 0.00 N ATOM 32 CA THR A 3 16.122 12.929 4.968 1.00 0.00 C ATOM 33 C THR A 3 15.552 11.999 3.896 1.00 0.00 C ATOM 34 O THR A 3 14.848 12.428 2.982 1.00 0.00 O ATOM 35 CB THR A 3 15.628 14.366 4.756 1.00 0.00 C ATOM 36 OG1 THR A 3 16.273 14.934 3.609 1.00 0.00 O ATOM 37 CG2 THR A 3 15.905 15.224 5.983 1.00 0.00 C ATOM 0 H THR A 3 18.011 13.509 4.301 1.00 0.00 H new ATOM 0 HA THR A 3 15.766 12.576 5.936 1.00 0.00 H new ATOM 0 HB THR A 3 14.550 14.340 4.594 1.00 0.00 H new ATOM 0 HG1 THR A 3 15.596 15.279 2.990 1.00 0.00 H new ATOM 0 HG21 THR A 3 15.545 16.238 5.807 1.00 0.00 H new ATOM 0 HG22 THR A 3 15.391 14.801 6.846 1.00 0.00 H new ATOM 0 HG23 THR A 3 16.978 15.248 6.176 1.00 0.00 H new ATOM 45 N THR A 4 15.942 10.739 3.969 1.00 0.00 N ATOM 46 CA THR A 4 15.568 9.748 2.974 1.00 0.00 C ATOM 47 C THR A 4 14.052 9.599 2.806 1.00 0.00 C ATOM 48 O THR A 4 13.562 9.432 1.687 1.00 0.00 O ATOM 49 CB THR A 4 16.169 8.386 3.345 1.00 0.00 C ATOM 50 OG1 THR A 4 15.867 8.097 4.716 1.00 0.00 O ATOM 51 CG2 THR A 4 17.673 8.372 3.131 1.00 0.00 C ATOM 0 H THR A 4 16.527 10.373 4.720 1.00 0.00 H new ATOM 0 HA THR A 4 15.964 10.101 2.022 1.00 0.00 H new ATOM 0 HB THR A 4 15.733 7.624 2.699 1.00 0.00 H new ATOM 0 HG1 THR A 4 16.490 7.420 5.052 1.00 0.00 H new ATOM 0 HG21 THR A 4 18.070 7.394 3.402 1.00 0.00 H new ATOM 0 HG22 THR A 4 17.893 8.575 2.083 1.00 0.00 H new ATOM 0 HG23 THR A 4 18.136 9.137 3.754 1.00 0.00 H new ATOM 59 N ILE A 5 13.319 9.564 3.916 1.00 0.00 N ATOM 60 CA ILE A 5 11.882 9.317 3.860 1.00 0.00 C ATOM 61 C ILE A 5 11.108 10.428 3.164 1.00 0.00 C ATOM 62 O ILE A 5 10.193 10.132 2.406 1.00 0.00 O ATOM 63 CB ILE A 5 11.250 9.006 5.237 1.00 0.00 C ATOM 64 CG1 ILE A 5 11.510 7.555 5.629 1.00 0.00 C ATOM 65 CG2 ILE A 5 9.759 9.277 5.247 1.00 0.00 C ATOM 66 CD1 ILE A 5 12.875 7.298 6.229 1.00 0.00 C ATOM 0 H ILE A 5 13.692 9.702 4.855 1.00 0.00 H new ATOM 0 HA ILE A 5 11.795 8.417 3.252 1.00 0.00 H new ATOM 0 HB ILE A 5 11.720 9.669 5.964 1.00 0.00 H new ATOM 0 HG12 ILE A 5 10.749 7.244 6.345 1.00 0.00 H new ATOM 0 HG13 ILE A 5 11.392 6.927 4.746 1.00 0.00 H new ATOM 0 HG21 ILE A 5 9.354 9.046 6.232 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.579 10.327 5.018 1.00 0.00 H new ATOM 0 HG23 ILE A 5 9.271 8.653 4.498 1.00 0.00 H new ATOM 0 HD11 ILE A 5 12.970 6.241 6.477 1.00 0.00 H new ATOM 0 HD12 ILE A 5 13.646 7.573 5.510 1.00 0.00 H new ATOM 0 HD13 ILE A 5 12.993 7.895 7.133 1.00 0.00 H new ATOM 78 N GLU A 6 11.422 11.689 3.437 1.00 0.00 N ATOM 79 CA GLU A 6 10.672 12.789 2.831 1.00 0.00 C ATOM 80 C GLU A 6 10.679 12.658 1.306 1.00 0.00 C ATOM 81 O GLU A 6 9.647 12.811 0.652 1.00 0.00 O ATOM 82 CB GLU A 6 11.228 14.151 3.244 1.00 0.00 C ATOM 83 CG GLU A 6 12.645 14.420 2.772 1.00 0.00 C ATOM 84 CD GLU A 6 13.119 15.819 3.115 1.00 0.00 C ATOM 85 OE1 GLU A 6 12.410 16.535 3.848 1.00 0.00 O ATOM 86 OE2 GLU A 6 14.215 16.209 2.661 1.00 0.00 O ATOM 0 H GLU A 6 12.176 11.975 4.062 1.00 0.00 H new ATOM 0 HA GLU A 6 9.646 12.726 3.194 1.00 0.00 H new ATOM 0 HB2 GLU A 6 10.574 14.930 2.853 1.00 0.00 H new ATOM 0 HB3 GLU A 6 11.200 14.227 4.331 1.00 0.00 H new ATOM 0 HG2 GLU A 6 13.319 13.691 3.223 1.00 0.00 H new ATOM 0 HG3 GLU A 6 12.698 14.277 1.693 1.00 0.00 H new ATOM 93 N LYS A 7 11.833 12.273 0.772 1.00 0.00 N ATOM 94 CA LYS A 7 11.989 11.996 -0.653 1.00 0.00 C ATOM 95 C LYS A 7 11.023 10.897 -1.094 1.00 0.00 C ATOM 96 O LYS A 7 10.353 11.017 -2.120 1.00 0.00 O ATOM 97 CB LYS A 7 13.430 11.561 -0.945 1.00 0.00 C ATOM 98 CG LYS A 7 14.476 12.601 -0.571 1.00 0.00 C ATOM 99 CD LYS A 7 15.891 12.088 -0.805 1.00 0.00 C ATOM 100 CE LYS A 7 16.136 11.718 -2.263 1.00 0.00 C ATOM 101 NZ LYS A 7 15.983 12.884 -3.174 1.00 0.00 N ATOM 0 H LYS A 7 12.687 12.144 1.314 1.00 0.00 H new ATOM 0 HA LYS A 7 11.764 12.906 -1.209 1.00 0.00 H new ATOM 0 HB2 LYS A 7 13.638 10.639 -0.402 1.00 0.00 H new ATOM 0 HB3 LYS A 7 13.522 11.333 -2.007 1.00 0.00 H new ATOM 0 HG2 LYS A 7 14.315 13.506 -1.158 1.00 0.00 H new ATOM 0 HG3 LYS A 7 14.357 12.876 0.477 1.00 0.00 H new ATOM 0 HD2 LYS A 7 16.607 12.851 -0.500 1.00 0.00 H new ATOM 0 HD3 LYS A 7 16.068 11.216 -0.176 1.00 0.00 H new ATOM 0 HE2 LYS A 7 17.140 11.307 -2.368 1.00 0.00 H new ATOM 0 HE3 LYS A 7 15.439 10.934 -2.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 16.273 12.614 -4.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 14.988 13.188 -3.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 16.580 13.667 -2.839 1.00 0.00 H new ATOM 115 N ILE A 8 10.923 9.857 -0.274 1.00 0.00 N ATOM 116 CA ILE A 8 10.005 8.753 -0.510 1.00 0.00 C ATOM 117 C ILE A 8 8.559 9.220 -0.415 1.00 0.00 C ATOM 118 O ILE A 8 7.707 8.823 -1.211 1.00 0.00 O ATOM 119 CB ILE A 8 10.226 7.649 0.543 1.00 0.00 C ATOM 120 CG1 ILE A 8 11.661 7.129 0.493 1.00 0.00 C ATOM 121 CG2 ILE A 8 9.238 6.513 0.354 1.00 0.00 C ATOM 122 CD1 ILE A 8 11.965 6.135 1.588 1.00 0.00 C ATOM 0 H ILE A 8 11.479 9.757 0.575 1.00 0.00 H new ATOM 0 HA ILE A 8 10.199 8.368 -1.511 1.00 0.00 H new ATOM 0 HB ILE A 8 10.056 8.086 1.527 1.00 0.00 H new ATOM 0 HG12 ILE A 8 11.839 6.661 -0.475 1.00 0.00 H new ATOM 0 HG13 ILE A 8 12.350 7.970 0.572 1.00 0.00 H new ATOM 0 HG21 ILE A 8 9.415 5.747 1.109 1.00 0.00 H new ATOM 0 HG22 ILE A 8 8.222 6.894 0.455 1.00 0.00 H new ATOM 0 HG23 ILE A 8 9.366 6.080 -0.638 1.00 0.00 H new ATOM 0 HD11 ILE A 8 12.999 5.802 1.500 1.00 0.00 H new ATOM 0 HD12 ILE A 8 11.817 6.607 2.559 1.00 0.00 H new ATOM 0 HD13 ILE A 8 11.298 5.277 1.496 1.00 0.00 H new ATOM 134 N GLN A 9 8.271 9.963 0.643 1.00 0.00 N ATOM 135 CA GLN A 9 6.917 10.366 0.956 1.00 0.00 C ATOM 136 C GLN A 9 6.313 11.229 -0.124 1.00 0.00 C ATOM 137 O GLN A 9 5.111 11.175 -0.354 1.00 0.00 O ATOM 138 CB GLN A 9 6.859 11.034 2.308 1.00 0.00 C ATOM 139 CG GLN A 9 7.294 10.053 3.354 1.00 0.00 C ATOM 140 CD GLN A 9 6.728 8.698 3.059 1.00 0.00 C ATOM 141 OE1 GLN A 9 5.519 8.494 3.081 1.00 0.00 O ATOM 142 NE2 GLN A 9 7.612 7.762 2.746 1.00 0.00 N ATOM 0 H GLN A 9 8.970 10.300 1.304 1.00 0.00 H new ATOM 0 HA GLN A 9 6.308 9.463 1.001 1.00 0.00 H new ATOM 0 HB2 GLN A 9 7.505 11.912 2.323 1.00 0.00 H new ATOM 0 HB3 GLN A 9 5.846 11.380 2.514 1.00 0.00 H new ATOM 0 HG2 GLN A 9 8.382 10.002 3.385 1.00 0.00 H new ATOM 0 HG3 GLN A 9 6.963 10.388 4.337 1.00 0.00 H new ATOM 0 HE21 GLN A 9 8.608 7.982 2.742 1.00 0.00 H new ATOM 0 HE22 GLN A 9 7.297 6.821 2.509 1.00 0.00 H new ATOM 151 N ARG A 10 7.172 11.918 -0.867 1.00 0.00 N ATOM 152 CA ARG A 10 6.741 12.669 -2.039 1.00 0.00 C ATOM 153 C ARG A 10 5.903 11.766 -2.940 1.00 0.00 C ATOM 154 O ARG A 10 4.847 12.163 -3.434 1.00 0.00 O ATOM 155 CB ARG A 10 7.956 13.186 -2.822 1.00 0.00 C ATOM 156 CG ARG A 10 8.885 14.117 -2.048 1.00 0.00 C ATOM 157 CD ARG A 10 8.237 15.454 -1.709 1.00 0.00 C ATOM 158 NE ARG A 10 7.121 15.336 -0.769 1.00 0.00 N ATOM 159 CZ ARG A 10 6.387 16.372 -0.363 1.00 0.00 C ATOM 160 NH1 ARG A 10 6.659 17.594 -0.803 1.00 0.00 N ATOM 161 NH2 ARG A 10 5.389 16.184 0.490 1.00 0.00 N ATOM 0 H ARG A 10 8.173 11.972 -0.677 1.00 0.00 H new ATOM 0 HA ARG A 10 6.146 13.521 -1.711 1.00 0.00 H new ATOM 0 HB2 ARG A 10 8.534 12.330 -3.169 1.00 0.00 H new ATOM 0 HB3 ARG A 10 7.599 13.711 -3.708 1.00 0.00 H new ATOM 0 HG2 ARG A 10 9.197 13.626 -1.126 1.00 0.00 H new ATOM 0 HG3 ARG A 10 9.786 14.294 -2.636 1.00 0.00 H new ATOM 0 HD2 ARG A 10 8.991 16.118 -1.286 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.881 15.920 -2.628 1.00 0.00 H new ATOM 0 HE ARG A 10 6.893 14.411 -0.405 1.00 0.00 H new ATOM 0 HH11 ARG A 10 7.431 17.742 -1.453 1.00 0.00 H new ATOM 0 HH12 ARG A 10 6.096 18.385 -0.491 1.00 0.00 H new ATOM 0 HH21 ARG A 10 5.183 15.247 0.835 1.00 0.00 H new ATOM 0 HH22 ARG A 10 4.827 16.977 0.801 1.00 0.00 H new ATOM 175 N GLN A 11 6.350 10.523 -3.082 1.00 0.00 N ATOM 176 CA GLN A 11 5.615 9.533 -3.848 1.00 0.00 C ATOM 177 C GLN A 11 4.388 9.013 -3.098 1.00 0.00 C ATOM 178 O GLN A 11 3.318 8.912 -3.681 1.00 0.00 O ATOM 179 CB GLN A 11 6.535 8.375 -4.238 1.00 0.00 C ATOM 180 CG GLN A 11 7.647 8.796 -5.183 1.00 0.00 C ATOM 181 CD GLN A 11 7.100 9.352 -6.483 1.00 0.00 C ATOM 182 OE1 GLN A 11 6.435 8.647 -7.243 1.00 0.00 O ATOM 183 NE2 GLN A 11 7.366 10.622 -6.742 1.00 0.00 N ATOM 0 H GLN A 11 7.220 10.180 -2.674 1.00 0.00 H new ATOM 0 HA GLN A 11 5.253 10.024 -4.751 1.00 0.00 H new ATOM 0 HB2 GLN A 11 6.974 7.947 -3.337 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.943 7.590 -4.708 1.00 0.00 H new ATOM 0 HG2 GLN A 11 8.270 9.548 -4.699 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.288 7.940 -5.395 1.00 0.00 H new ATOM 0 HE21 GLN A 11 7.921 11.171 -6.085 1.00 0.00 H new ATOM 0 HE22 GLN A 11 7.016 11.052 -7.598 1.00 0.00 H new ATOM 192 N ILE A 12 4.551 8.610 -1.836 1.00 0.00 N ATOM 193 CA ILE A 12 3.433 8.014 -1.089 1.00 0.00 C ATOM 194 C ILE A 12 2.282 9.001 -0.949 1.00 0.00 C ATOM 195 O ILE A 12 1.115 8.646 -1.060 1.00 0.00 O ATOM 196 CB ILE A 12 3.829 7.543 0.332 1.00 0.00 C ATOM 197 CG1 ILE A 12 5.073 6.650 0.307 1.00 0.00 C ATOM 198 CG2 ILE A 12 2.665 6.811 0.986 1.00 0.00 C ATOM 199 CD1 ILE A 12 5.251 5.841 1.573 1.00 0.00 C ATOM 0 H ILE A 12 5.425 8.681 -1.316 1.00 0.00 H new ATOM 0 HA ILE A 12 3.131 7.144 -1.672 1.00 0.00 H new ATOM 0 HB ILE A 12 4.071 8.428 0.920 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.009 5.972 -0.544 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.955 7.271 0.153 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.955 6.485 1.985 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.808 7.481 1.058 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.397 5.943 0.384 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.150 5.230 1.491 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.346 6.514 2.425 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.385 5.195 1.717 1.00 0.00 H new ATOM 211 N ALA A 13 2.628 10.226 -0.645 1.00 0.00 N ATOM 212 CA ALA A 13 1.638 11.270 -0.422 1.00 0.00 C ATOM 213 C ALA A 13 0.774 11.505 -1.660 1.00 0.00 C ATOM 214 O ALA A 13 -0.392 11.885 -1.542 1.00 0.00 O ATOM 215 CB ALA A 13 2.318 12.565 -0.003 1.00 0.00 C ATOM 0 H ALA A 13 3.595 10.535 -0.544 1.00 0.00 H new ATOM 0 HA ALA A 13 0.983 10.934 0.381 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.564 13.336 0.160 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.875 12.401 0.920 1.00 0.00 H new ATOM 0 HB3 ALA A 13 3.002 12.887 -0.788 1.00 0.00 H new ATOM 221 N GLU A 14 1.382 11.410 -2.842 1.00 0.00 N ATOM 222 CA GLU A 14 0.671 11.758 -4.070 1.00 0.00 C ATOM 223 C GLU A 14 -0.374 10.712 -4.470 1.00 0.00 C ATOM 224 O GLU A 14 -1.416 11.072 -5.022 1.00 0.00 O ATOM 225 CB GLU A 14 1.606 12.029 -5.252 1.00 0.00 C ATOM 226 CG GLU A 14 2.399 10.828 -5.719 1.00 0.00 C ATOM 227 CD GLU A 14 3.041 11.063 -7.066 1.00 0.00 C ATOM 228 OE1 GLU A 14 2.291 11.262 -8.049 1.00 0.00 O ATOM 229 OE2 GLU A 14 4.283 11.068 -7.155 1.00 0.00 O ATOM 0 H GLU A 14 2.345 11.102 -2.974 1.00 0.00 H new ATOM 0 HA GLU A 14 0.153 12.687 -3.830 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.014 12.404 -6.087 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.302 12.821 -4.973 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.171 10.595 -4.985 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.742 9.960 -5.777 1.00 0.00 H new ATOM 236 N ASN A 15 -0.099 9.425 -4.249 1.00 0.00 N ATOM 237 CA ASN A 15 -1.043 8.394 -4.656 1.00 0.00 C ATOM 238 C ASN A 15 -2.213 8.281 -3.697 1.00 0.00 C ATOM 239 O ASN A 15 -2.053 8.269 -2.481 1.00 0.00 O ATOM 240 CB ASN A 15 -0.357 7.042 -4.822 1.00 0.00 C ATOM 241 CG ASN A 15 0.669 6.780 -3.766 1.00 0.00 C ATOM 242 OD1 ASN A 15 0.353 6.685 -2.592 1.00 0.00 O ATOM 243 ND2 ASN A 15 1.919 6.674 -4.189 1.00 0.00 N ATOM 0 H ASN A 15 0.750 9.081 -3.801 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.438 8.699 -5.625 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -1.108 6.253 -4.796 1.00 0.00 H new ATOM 0 HB3 ASN A 15 0.118 6.998 -5.802 1.00 0.00 H new ATOM 0 HD21 ASN A 15 2.671 6.505 -3.521 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.130 6.761 -5.183 1.00 0.00 H new ATOM 250 N PRO A 16 -3.421 8.206 -4.261 1.00 0.00 N ATOM 251 CA PRO A 16 -4.654 8.096 -3.489 1.00 0.00 C ATOM 252 C PRO A 16 -4.701 6.812 -2.688 1.00 0.00 C ATOM 253 O PRO A 16 -5.131 6.788 -1.538 1.00 0.00 O ATOM 254 CB PRO A 16 -5.742 8.056 -4.570 1.00 0.00 C ATOM 255 CG PRO A 16 -5.107 8.646 -5.777 1.00 0.00 C ATOM 256 CD PRO A 16 -3.675 8.230 -5.708 1.00 0.00 C ATOM 0 HA PRO A 16 -4.761 8.909 -2.771 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.074 7.035 -4.758 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.620 8.626 -4.267 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.580 8.281 -6.689 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.202 9.732 -5.781 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.513 7.254 -6.165 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -3.022 8.935 -6.223 1.00 0.00 H new ATOM 264 N ILE A 17 -4.275 5.740 -3.327 1.00 0.00 N ATOM 265 CA ILE A 17 -4.297 4.425 -2.725 1.00 0.00 C ATOM 266 C ILE A 17 -3.007 3.717 -3.114 1.00 0.00 C ATOM 267 O ILE A 17 -2.681 3.651 -4.297 1.00 0.00 O ATOM 268 CB ILE A 17 -5.495 3.592 -3.263 1.00 0.00 C ATOM 269 CG1 ILE A 17 -6.822 4.381 -3.216 1.00 0.00 C ATOM 270 CG2 ILE A 17 -5.635 2.291 -2.490 1.00 0.00 C ATOM 271 CD1 ILE A 17 -7.273 4.800 -1.828 1.00 0.00 C ATOM 0 H ILE A 17 -3.905 5.758 -4.277 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.395 4.522 -1.644 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.281 3.367 -4.308 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -6.718 5.274 -3.832 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.605 3.772 -3.667 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.479 1.724 -2.882 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.722 1.704 -2.597 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.804 2.511 -1.436 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.213 5.347 -1.901 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.416 3.914 -1.209 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.515 5.440 -1.377 1.00 0.00 H new ATOM 283 N LEU A 18 -2.196 3.348 -2.136 1.00 0.00 N ATOM 284 CA LEU A 18 -0.868 2.840 -2.422 1.00 0.00 C ATOM 285 C LEU A 18 -0.599 1.513 -1.726 1.00 0.00 C ATOM 286 O LEU A 18 -1.035 1.283 -0.606 1.00 0.00 O ATOM 287 CB LEU A 18 0.165 3.862 -1.985 1.00 0.00 C ATOM 288 CG LEU A 18 1.600 3.568 -2.396 1.00 0.00 C ATOM 289 CD1 LEU A 18 1.697 3.447 -3.914 1.00 0.00 C ATOM 290 CD2 LEU A 18 2.509 4.676 -1.874 1.00 0.00 C ATOM 0 H LEU A 18 -2.433 3.391 -1.145 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.802 2.667 -3.496 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.118 4.833 -2.391 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.128 3.947 -0.899 1.00 0.00 H new ATOM 0 HG LEU A 18 1.920 2.620 -1.964 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.728 3.237 -4.197 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.054 2.636 -4.256 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.378 4.382 -4.375 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.539 4.470 -2.166 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.197 5.632 -2.295 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.442 4.720 -0.787 1.00 0.00 H new ATOM 302 N LEU A 19 0.106 0.641 -2.422 1.00 0.00 N ATOM 303 CA LEU A 19 0.437 -0.682 -1.924 1.00 0.00 C ATOM 304 C LEU A 19 1.893 -1.018 -2.218 1.00 0.00 C ATOM 305 O LEU A 19 2.278 -1.152 -3.365 1.00 0.00 O ATOM 306 CB LEU A 19 -0.474 -1.709 -2.605 1.00 0.00 C ATOM 307 CG LEU A 19 0.022 -3.156 -2.581 1.00 0.00 C ATOM 308 CD1 LEU A 19 0.145 -3.683 -1.156 1.00 0.00 C ATOM 309 CD2 LEU A 19 -0.900 -4.037 -3.400 1.00 0.00 C ATOM 0 H LEU A 19 0.468 0.832 -3.356 1.00 0.00 H new ATOM 0 HA LEU A 19 0.290 -0.705 -0.844 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.453 -1.672 -2.127 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.615 -1.410 -3.644 1.00 0.00 H new ATOM 0 HG LEU A 19 1.018 -3.178 -3.024 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.500 -4.713 -1.178 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.853 -3.068 -0.600 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.829 -3.645 -0.669 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.537 -5.065 -3.376 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.906 -3.997 -2.983 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.920 -3.683 -4.431 1.00 0.00 H new ATOM 321 N TYR A 20 2.672 -1.275 -1.190 1.00 0.00 N ATOM 322 CA TYR A 20 4.036 -1.732 -1.393 1.00 0.00 C ATOM 323 C TYR A 20 4.142 -3.239 -1.250 1.00 0.00 C ATOM 324 O TYR A 20 3.851 -3.786 -0.186 1.00 0.00 O ATOM 325 CB TYR A 20 4.983 -1.060 -0.410 1.00 0.00 C ATOM 326 CG TYR A 20 5.370 0.354 -0.777 1.00 0.00 C ATOM 327 CD1 TYR A 20 4.424 1.355 -0.927 1.00 0.00 C ATOM 328 CD2 TYR A 20 6.705 0.682 -0.969 1.00 0.00 C ATOM 329 CE1 TYR A 20 4.803 2.638 -1.260 1.00 0.00 C ATOM 330 CE2 TYR A 20 7.087 1.962 -1.304 1.00 0.00 C ATOM 331 CZ TYR A 20 6.132 2.936 -1.450 1.00 0.00 C ATOM 332 OH TYR A 20 6.507 4.215 -1.790 1.00 0.00 O ATOM 0 H TYR A 20 2.392 -1.178 -0.214 1.00 0.00 H new ATOM 0 HA TYR A 20 4.321 -1.459 -2.409 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.517 -1.051 0.575 1.00 0.00 H new ATOM 0 HB3 TYR A 20 5.889 -1.661 -0.329 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.378 1.128 -0.781 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.459 -0.082 -0.853 1.00 0.00 H new ATOM 0 HE1 TYR A 20 4.056 3.410 -1.372 1.00 0.00 H new ATOM 0 HE2 TYR A 20 8.131 2.197 -1.451 1.00 0.00 H new ATOM 0 HH TYR A 20 7.481 4.256 -1.886 1.00 0.00 H new ATOM 342 N MET A 21 4.620 -3.904 -2.294 1.00 0.00 N ATOM 343 CA MET A 21 4.830 -5.342 -2.232 1.00 0.00 C ATOM 344 C MET A 21 6.016 -5.820 -3.084 1.00 0.00 C ATOM 345 O MET A 21 6.915 -5.048 -3.409 1.00 0.00 O ATOM 346 CB MET A 21 3.538 -6.063 -2.589 1.00 0.00 C ATOM 347 CG MET A 21 2.797 -5.577 -3.836 1.00 0.00 C ATOM 348 SD MET A 21 3.673 -5.869 -5.382 1.00 0.00 S ATOM 349 CE MET A 21 4.753 -4.460 -5.508 1.00 0.00 C ATOM 0 H MET A 21 4.867 -3.474 -3.185 1.00 0.00 H new ATOM 0 HA MET A 21 5.103 -5.593 -1.207 1.00 0.00 H new ATOM 0 HB2 MET A 21 3.765 -7.121 -2.720 1.00 0.00 H new ATOM 0 HB3 MET A 21 2.860 -5.985 -1.739 1.00 0.00 H new ATOM 0 HG2 MET A 21 1.827 -6.071 -3.883 1.00 0.00 H new ATOM 0 HG3 MET A 21 2.606 -4.508 -3.737 1.00 0.00 H new ATOM 0 HE1 MET A 21 5.041 -4.315 -6.549 1.00 0.00 H new ATOM 0 HE2 MET A 21 4.235 -3.571 -5.147 1.00 0.00 H new ATOM 0 HE3 MET A 21 5.645 -4.630 -4.905 1.00 0.00 H new ATOM 359 N LYS A 22 5.999 -7.086 -3.498 1.00 0.00 N ATOM 360 CA LYS A 22 7.059 -7.598 -4.358 1.00 0.00 C ATOM 361 C LYS A 22 6.583 -7.599 -5.791 1.00 0.00 C ATOM 362 O LYS A 22 5.587 -8.231 -6.114 1.00 0.00 O ATOM 363 CB LYS A 22 7.473 -9.017 -3.954 1.00 0.00 C ATOM 364 CG LYS A 22 8.710 -9.523 -4.687 1.00 0.00 C ATOM 365 CD LYS A 22 9.052 -10.949 -4.282 1.00 0.00 C ATOM 366 CE LYS A 22 10.332 -11.443 -4.947 1.00 0.00 C ATOM 367 NZ LYS A 22 11.544 -10.720 -4.463 1.00 0.00 N ATOM 0 H LYS A 22 5.276 -7.764 -3.256 1.00 0.00 H new ATOM 0 HA LYS A 22 7.929 -6.950 -4.250 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.662 -9.040 -2.881 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.643 -9.697 -4.146 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.540 -9.480 -5.763 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.555 -8.869 -4.471 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.163 -11.001 -3.199 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.227 -11.609 -4.550 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.449 -12.510 -4.755 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.247 -11.321 -6.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 12.055 -10.317 -5.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.258 -9.955 -3.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.165 -11.383 -3.957 1.00 0.00 H new ATOM 381 N GLY A 23 7.288 -6.898 -6.643 1.00 0.00 N ATOM 382 CA GLY A 23 6.888 -6.838 -8.029 1.00 0.00 C ATOM 383 C GLY A 23 7.631 -7.840 -8.883 1.00 0.00 C ATOM 384 O GLY A 23 8.853 -7.784 -8.994 1.00 0.00 O ATOM 0 H GLY A 23 8.128 -6.369 -6.409 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.816 -7.023 -8.104 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.066 -5.834 -8.413 1.00 0.00 H new ATOM 388 N SER A 24 6.886 -8.716 -9.533 1.00 0.00 N ATOM 389 CA SER A 24 7.462 -9.680 -10.448 1.00 0.00 C ATOM 390 C SER A 24 6.755 -9.546 -11.792 1.00 0.00 C ATOM 391 O SER A 24 5.553 -9.287 -11.832 1.00 0.00 O ATOM 392 CB SER A 24 7.317 -11.100 -9.886 1.00 0.00 C ATOM 393 OG SER A 24 7.911 -12.066 -10.736 1.00 0.00 O ATOM 0 H SER A 24 5.872 -8.778 -9.441 1.00 0.00 H new ATOM 0 HA SER A 24 8.527 -9.488 -10.578 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.780 -11.150 -8.900 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.260 -11.333 -9.754 1.00 0.00 H new ATOM 0 HG SER A 24 7.801 -12.958 -10.345 1.00 0.00 H new ATOM 399 N PRO A 25 7.488 -9.649 -12.910 1.00 0.00 N ATOM 400 CA PRO A 25 6.904 -9.478 -14.246 1.00 0.00 C ATOM 401 C PRO A 25 5.727 -10.424 -14.472 1.00 0.00 C ATOM 402 O PRO A 25 4.696 -10.039 -15.025 1.00 0.00 O ATOM 403 CB PRO A 25 8.063 -9.818 -15.190 1.00 0.00 C ATOM 404 CG PRO A 25 9.296 -9.567 -14.390 1.00 0.00 C ATOM 405 CD PRO A 25 8.945 -9.882 -12.963 1.00 0.00 C ATOM 0 HA PRO A 25 6.503 -8.476 -14.399 1.00 0.00 H new ATOM 0 HB2 PRO A 25 8.011 -10.855 -15.521 1.00 0.00 H new ATOM 0 HB3 PRO A 25 8.039 -9.196 -16.085 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.118 -10.194 -14.736 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.621 -8.531 -14.491 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.197 -10.911 -12.705 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.481 -9.238 -12.266 1.00 0.00 H new ATOM 413 N LYS A 26 5.891 -11.656 -14.015 1.00 0.00 N ATOM 414 CA LYS A 26 4.856 -12.676 -14.122 1.00 0.00 C ATOM 415 C LYS A 26 3.722 -12.434 -13.120 1.00 0.00 C ATOM 416 O LYS A 26 2.595 -12.883 -13.330 1.00 0.00 O ATOM 417 CB LYS A 26 5.458 -14.071 -13.929 1.00 0.00 C ATOM 418 CG LYS A 26 6.126 -14.280 -12.579 1.00 0.00 C ATOM 419 CD LYS A 26 6.771 -15.656 -12.477 1.00 0.00 C ATOM 420 CE LYS A 26 5.759 -16.779 -12.656 1.00 0.00 C ATOM 421 NZ LYS A 26 4.691 -16.740 -11.622 1.00 0.00 N ATOM 0 H LYS A 26 6.745 -11.978 -13.559 1.00 0.00 H new ATOM 0 HA LYS A 26 4.430 -12.614 -15.123 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.670 -14.814 -14.051 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.190 -14.250 -14.716 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.883 -13.511 -12.424 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.387 -14.164 -11.786 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.550 -15.747 -13.234 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.256 -15.757 -11.506 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.308 -16.705 -13.645 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.272 -17.740 -12.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.114 -17.603 -11.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.124 -16.682 -10.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.088 -15.907 -11.777 1.00 0.00 H new ATOM 435 N LEU A 27 4.040 -11.804 -11.995 1.00 0.00 N ATOM 436 CA LEU A 27 3.063 -11.605 -10.930 1.00 0.00 C ATOM 437 C LEU A 27 3.467 -10.383 -10.111 1.00 0.00 C ATOM 438 O LEU A 27 4.444 -10.425 -9.363 1.00 0.00 O ATOM 439 CB LEU A 27 3.061 -12.846 -10.030 1.00 0.00 C ATOM 440 CG LEU A 27 1.811 -13.088 -9.167 1.00 0.00 C ATOM 441 CD1 LEU A 27 1.953 -14.394 -8.399 1.00 0.00 C ATOM 442 CD2 LEU A 27 1.558 -11.947 -8.196 1.00 0.00 C ATOM 0 H LEU A 27 4.965 -11.423 -11.796 1.00 0.00 H new ATOM 0 HA LEU A 27 2.069 -11.451 -11.350 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.210 -13.722 -10.662 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.923 -12.783 -9.366 1.00 0.00 H new ATOM 0 HG LEU A 27 0.956 -13.146 -9.841 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.063 -14.557 -7.791 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.068 -15.219 -9.102 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.830 -14.343 -7.753 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.666 -12.161 -7.608 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.414 -11.839 -7.530 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.412 -11.021 -8.753 1.00 0.00 H new ATOM 454 N PRO A 28 2.767 -9.259 -10.293 1.00 0.00 N ATOM 455 CA PRO A 28 3.104 -7.989 -9.633 1.00 0.00 C ATOM 456 C PRO A 28 2.793 -7.951 -8.132 1.00 0.00 C ATOM 457 O PRO A 28 2.495 -6.889 -7.608 1.00 0.00 O ATOM 458 CB PRO A 28 2.229 -6.961 -10.366 1.00 0.00 C ATOM 459 CG PRO A 28 1.735 -7.653 -11.589 1.00 0.00 C ATOM 460 CD PRO A 28 1.641 -9.100 -11.219 1.00 0.00 C ATOM 0 HA PRO A 28 4.177 -7.807 -9.690 1.00 0.00 H new ATOM 0 HB2 PRO A 28 1.400 -6.634 -9.739 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.803 -6.071 -10.624 1.00 0.00 H new ATOM 0 HG2 PRO A 28 0.765 -7.263 -11.896 1.00 0.00 H new ATOM 0 HG3 PRO A 28 2.417 -7.505 -12.426 1.00 0.00 H new ATOM 0 HD2 PRO A 28 0.688 -9.338 -10.746 1.00 0.00 H new ATOM 0 HD3 PRO A 28 1.735 -9.749 -12.089 1.00 0.00 H new ATOM 468 N SER A 29 2.967 -9.078 -7.443 1.00 0.00 N ATOM 469 CA SER A 29 2.845 -9.151 -5.988 1.00 0.00 C ATOM 470 C SER A 29 3.341 -10.496 -5.459 1.00 0.00 C ATOM 471 O SER A 29 2.612 -11.212 -4.773 1.00 0.00 O ATOM 472 CB SER A 29 1.431 -8.852 -5.530 1.00 0.00 C ATOM 473 OG SER A 29 0.465 -9.524 -6.320 1.00 0.00 O ATOM 0 H SER A 29 3.198 -9.970 -7.881 1.00 0.00 H new ATOM 0 HA SER A 29 3.486 -8.378 -5.564 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.317 -9.149 -4.487 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.254 -7.777 -5.577 1.00 0.00 H new ATOM 0 HG SER A 29 -0.218 -8.886 -6.614 1.00 0.00 H new ATOM 479 N CYS A 30 4.529 -10.883 -5.896 1.00 0.00 N ATOM 480 CA CYS A 30 5.083 -12.207 -5.603 1.00 0.00 C ATOM 481 C CYS A 30 5.128 -12.522 -4.100 1.00 0.00 C ATOM 482 O CYS A 30 5.006 -13.682 -3.706 1.00 0.00 O ATOM 483 CB CYS A 30 6.486 -12.322 -6.207 1.00 0.00 C ATOM 484 SG CYS A 30 7.275 -13.932 -5.965 1.00 0.00 S ATOM 0 H CYS A 30 5.139 -10.294 -6.463 1.00 0.00 H new ATOM 0 HA CYS A 30 4.416 -12.941 -6.055 1.00 0.00 H new ATOM 0 HB2 CYS A 30 6.426 -12.118 -7.276 1.00 0.00 H new ATOM 0 HB3 CYS A 30 7.121 -11.551 -5.770 1.00 0.00 H new ATOM 0 HG CYS A 30 6.735 -14.531 -4.945 1.00 0.00 H new ATOM 490 N GLY A 31 5.416 -11.511 -3.280 1.00 0.00 N ATOM 491 CA GLY A 31 5.595 -11.731 -1.849 1.00 0.00 C ATOM 492 C GLY A 31 4.306 -12.054 -1.101 1.00 0.00 C ATOM 493 O GLY A 31 3.486 -12.848 -1.557 1.00 0.00 O ATOM 0 H GLY A 31 5.529 -10.543 -3.580 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.301 -12.549 -1.704 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.044 -10.840 -1.409 1.00 0.00 H new ATOM 497 N PHE A 32 4.150 -11.455 0.076 1.00 0.00 N ATOM 498 CA PHE A 32 2.986 -11.702 0.922 1.00 0.00 C ATOM 499 C PHE A 32 1.754 -10.994 0.413 1.00 0.00 C ATOM 500 O PHE A 32 0.659 -11.275 0.847 1.00 0.00 O ATOM 501 CB PHE A 32 3.222 -11.298 2.373 1.00 0.00 C ATOM 502 CG PHE A 32 4.019 -12.284 3.164 1.00 0.00 C ATOM 503 CD1 PHE A 32 5.363 -12.487 2.911 1.00 0.00 C ATOM 504 CD2 PHE A 32 3.409 -12.992 4.185 1.00 0.00 C ATOM 505 CE1 PHE A 32 6.089 -13.395 3.661 1.00 0.00 C ATOM 506 CE2 PHE A 32 4.128 -13.900 4.939 1.00 0.00 C ATOM 507 CZ PHE A 32 5.469 -14.103 4.677 1.00 0.00 C ATOM 0 H PHE A 32 4.819 -10.792 0.467 1.00 0.00 H new ATOM 0 HA PHE A 32 2.824 -12.779 0.880 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.734 -10.336 2.391 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.257 -11.155 2.860 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.850 -11.933 2.122 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.361 -12.833 4.394 1.00 0.00 H new ATOM 0 HE1 PHE A 32 7.137 -13.551 3.455 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.642 -14.450 5.732 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.033 -14.813 5.264 1.00 0.00 H new ATOM 517 N SER A 33 1.935 -10.006 -0.423 1.00 0.00 N ATOM 518 CA SER A 33 0.816 -9.210 -0.891 1.00 0.00 C ATOM 519 C SER A 33 -0.162 -10.037 -1.727 1.00 0.00 C ATOM 520 O SER A 33 -1.224 -9.543 -2.082 1.00 0.00 O ATOM 521 CB SER A 33 1.324 -8.050 -1.708 1.00 0.00 C ATOM 522 OG SER A 33 0.270 -7.210 -2.139 1.00 0.00 O ATOM 0 H SER A 33 2.842 -9.728 -0.797 1.00 0.00 H new ATOM 0 HA SER A 33 0.280 -8.845 -0.015 1.00 0.00 H new ATOM 0 HB2 SER A 33 2.032 -7.470 -1.115 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.867 -8.426 -2.575 1.00 0.00 H new ATOM 0 HG SER A 33 -0.534 -7.748 -2.297 1.00 0.00 H new ATOM 528 N ALA A 34 0.243 -11.246 -2.118 1.00 0.00 N ATOM 529 CA ALA A 34 -0.559 -12.089 -3.004 1.00 0.00 C ATOM 530 C ALA A 34 -2.018 -12.175 -2.550 1.00 0.00 C ATOM 531 O ALA A 34 -2.931 -12.072 -3.359 1.00 0.00 O ATOM 532 CB ALA A 34 0.050 -13.480 -3.092 1.00 0.00 C ATOM 0 H ALA A 34 1.128 -11.665 -1.832 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.554 -11.628 -3.992 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.554 -14.100 -3.754 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.064 -13.409 -3.486 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.077 -13.929 -2.099 1.00 0.00 H new ATOM 538 N GLN A 35 -2.234 -12.322 -1.254 1.00 0.00 N ATOM 539 CA GLN A 35 -3.595 -12.366 -0.721 1.00 0.00 C ATOM 540 C GLN A 35 -4.160 -10.947 -0.590 1.00 0.00 C ATOM 541 O GLN A 35 -5.343 -10.708 -0.839 1.00 0.00 O ATOM 542 CB GLN A 35 -3.674 -13.084 0.646 1.00 0.00 C ATOM 543 CG GLN A 35 -2.973 -14.437 0.700 1.00 0.00 C ATOM 544 CD GLN A 35 -1.461 -14.323 0.833 1.00 0.00 C ATOM 545 OE1 GLN A 35 -0.978 -13.125 1.120 1.00 0.00 O flip ATOM 546 NE2 GLN A 35 -0.738 -15.312 0.734 1.00 0.00 N flip ATOM 0 H GLN A 35 -1.497 -12.412 -0.554 1.00 0.00 H new ATOM 0 HA GLN A 35 -4.193 -12.941 -1.429 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -3.240 -12.435 1.407 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -4.723 -13.224 0.907 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -3.363 -15.008 1.542 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -3.211 -14.999 -0.203 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -1.144 -16.221 0.511 1.00 0.00 H new ATOM 0 HE22 GLN A 35 0.268 -15.224 0.874 1.00 0.00 H new ATOM 555 N ALA A 36 -3.316 -10.034 -0.119 1.00 0.00 N ATOM 556 CA ALA A 36 -3.715 -8.657 0.159 1.00 0.00 C ATOM 557 C ALA A 36 -4.192 -7.948 -1.094 1.00 0.00 C ATOM 558 O ALA A 36 -5.205 -7.252 -1.080 1.00 0.00 O ATOM 559 CB ALA A 36 -2.556 -7.895 0.775 1.00 0.00 C ATOM 0 H ALA A 36 -2.335 -10.228 0.081 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.547 -8.688 0.862 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.862 -6.869 0.979 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.258 -8.377 1.706 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.714 -7.891 0.083 1.00 0.00 H new ATOM 565 N VAL A 37 -3.446 -8.128 -2.167 1.00 0.00 N ATOM 566 CA VAL A 37 -3.764 -7.507 -3.442 1.00 0.00 C ATOM 567 C VAL A 37 -5.169 -7.893 -3.883 1.00 0.00 C ATOM 568 O VAL A 37 -5.919 -7.068 -4.406 1.00 0.00 O ATOM 569 CB VAL A 37 -2.731 -7.894 -4.531 1.00 0.00 C ATOM 570 CG1 VAL A 37 -2.737 -9.388 -4.813 1.00 0.00 C ATOM 571 CG2 VAL A 37 -2.968 -7.116 -5.817 1.00 0.00 C ATOM 0 H VAL A 37 -2.606 -8.706 -2.182 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.720 -6.426 -3.308 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.748 -7.630 -4.141 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.999 -9.616 -5.582 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.491 -9.931 -3.901 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.726 -9.689 -5.159 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.228 -7.409 -6.561 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.967 -7.332 -6.194 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.879 -6.048 -5.618 1.00 0.00 H new ATOM 581 N GLN A 38 -5.521 -9.150 -3.651 1.00 0.00 N ATOM 582 CA GLN A 38 -6.829 -9.646 -4.016 1.00 0.00 C ATOM 583 C GLN A 38 -7.894 -9.009 -3.134 1.00 0.00 C ATOM 584 O GLN A 38 -8.912 -8.544 -3.632 1.00 0.00 O ATOM 585 CB GLN A 38 -6.887 -11.172 -3.897 1.00 0.00 C ATOM 586 CG GLN A 38 -5.710 -11.901 -4.539 1.00 0.00 C ATOM 587 CD GLN A 38 -5.485 -11.584 -6.021 1.00 0.00 C ATOM 588 OE1 GLN A 38 -6.387 -10.838 -6.646 1.00 0.00 O flip ATOM 589 NE2 GLN A 38 -4.516 -12.053 -6.616 1.00 0.00 N flip ATOM 0 H GLN A 38 -4.914 -9.841 -3.211 1.00 0.00 H new ATOM 0 HA GLN A 38 -7.020 -9.378 -5.055 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.932 -11.440 -2.841 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.811 -11.525 -4.356 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.803 -11.652 -3.988 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.864 -12.975 -4.432 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.836 -12.624 -6.113 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.392 -11.871 -7.612 1.00 0.00 H new ATOM 598 N ALA A 39 -7.638 -8.975 -1.828 1.00 0.00 N ATOM 599 CA ALA A 39 -8.561 -8.378 -0.864 1.00 0.00 C ATOM 600 C ALA A 39 -8.802 -6.903 -1.161 1.00 0.00 C ATOM 601 O ALA A 39 -9.919 -6.414 -1.028 1.00 0.00 O ATOM 602 CB ALA A 39 -8.024 -8.534 0.548 1.00 0.00 C ATOM 0 H ALA A 39 -6.790 -9.358 -1.410 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.512 -8.904 -0.951 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.722 -8.085 1.254 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.907 -9.593 0.778 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.057 -8.036 0.627 1.00 0.00 H new ATOM 608 N LEU A 40 -7.735 -6.187 -1.486 1.00 0.00 N ATOM 609 CA LEU A 40 -7.811 -4.745 -1.717 1.00 0.00 C ATOM 610 C LEU A 40 -8.706 -4.465 -2.910 1.00 0.00 C ATOM 611 O LEU A 40 -9.694 -3.737 -2.814 1.00 0.00 O ATOM 612 CB LEU A 40 -6.425 -4.204 -2.037 1.00 0.00 C ATOM 613 CG LEU A 40 -6.114 -2.782 -1.548 1.00 0.00 C ATOM 614 CD1 LEU A 40 -4.767 -2.324 -2.090 1.00 0.00 C ATOM 615 CD2 LEU A 40 -7.215 -1.794 -1.918 1.00 0.00 C ATOM 0 H LEU A 40 -6.800 -6.580 -1.597 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.209 -4.268 -0.821 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.687 -4.881 -1.607 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.290 -4.230 -3.118 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.067 -2.809 -0.459 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.557 -1.314 -1.737 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.986 -3.000 -1.742 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.792 -2.329 -3.180 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.952 -0.802 -1.552 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.327 -1.763 -3.002 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.155 -2.110 -1.465 1.00 0.00 H new ATOM 627 N ALA A 41 -8.357 -5.094 -4.024 1.00 0.00 N ATOM 628 CA ALA A 41 -9.117 -4.976 -5.254 1.00 0.00 C ATOM 629 C ALA A 41 -10.531 -5.491 -5.056 1.00 0.00 C ATOM 630 O ALA A 41 -11.464 -5.074 -5.742 1.00 0.00 O ATOM 631 CB ALA A 41 -8.424 -5.732 -6.376 1.00 0.00 C ATOM 0 H ALA A 41 -7.539 -5.699 -4.097 1.00 0.00 H new ATOM 0 HA ALA A 41 -9.172 -3.923 -5.530 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.005 -5.635 -7.293 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.428 -5.318 -6.532 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.342 -6.785 -6.108 1.00 0.00 H new ATOM 637 N ALA A 42 -10.667 -6.441 -4.143 1.00 0.00 N ATOM 638 CA ALA A 42 -11.962 -7.058 -3.873 1.00 0.00 C ATOM 639 C ALA A 42 -12.861 -6.136 -3.066 1.00 0.00 C ATOM 640 O ALA A 42 -14.041 -5.987 -3.372 1.00 0.00 O ATOM 641 CB ALA A 42 -11.798 -8.382 -3.148 1.00 0.00 C ATOM 0 H ALA A 42 -9.900 -6.803 -3.576 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.435 -7.242 -4.838 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -12.779 -8.818 -2.960 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -11.210 -9.063 -3.763 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -11.287 -8.217 -2.199 1.00 0.00 H new ATOM 647 N CYS A 43 -12.329 -5.587 -1.984 1.00 0.00 N ATOM 648 CA CYS A 43 -13.130 -4.765 -1.099 1.00 0.00 C ATOM 649 C CYS A 43 -13.406 -3.392 -1.709 1.00 0.00 C ATOM 650 O CYS A 43 -14.560 -2.973 -1.813 1.00 0.00 O ATOM 651 CB CYS A 43 -12.453 -4.633 0.264 1.00 0.00 C ATOM 652 SG CYS A 43 -10.784 -3.937 0.230 1.00 0.00 S ATOM 0 H CYS A 43 -11.355 -5.696 -1.702 1.00 0.00 H new ATOM 0 HA CYS A 43 -14.092 -5.258 -0.960 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -13.077 -4.008 0.903 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -12.409 -5.619 0.727 1.00 0.00 H new ATOM 0 HG CYS A 43 -9.941 -4.851 -0.149 1.00 0.00 H new ATOM 658 N GLY A 44 -12.347 -2.707 -2.116 1.00 0.00 N ATOM 659 CA GLY A 44 -12.498 -1.401 -2.717 1.00 0.00 C ATOM 660 C GLY A 44 -12.383 -1.431 -4.227 1.00 0.00 C ATOM 661 O GLY A 44 -12.859 -2.358 -4.882 1.00 0.00 O ATOM 0 H GLY A 44 -11.384 -3.035 -2.040 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.468 -0.989 -2.440 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.739 -0.731 -2.313 1.00 0.00 H new ATOM 665 N GLU A 45 -11.733 -0.413 -4.768 1.00 0.00 N ATOM 666 CA GLU A 45 -11.519 -0.286 -6.201 1.00 0.00 C ATOM 667 C GLU A 45 -10.030 -0.301 -6.539 1.00 0.00 C ATOM 668 O GLU A 45 -9.241 -0.972 -5.876 1.00 0.00 O ATOM 669 CB GLU A 45 -12.188 0.978 -6.748 1.00 0.00 C ATOM 670 CG GLU A 45 -13.708 0.925 -6.717 1.00 0.00 C ATOM 671 CD GLU A 45 -14.264 -0.190 -7.582 1.00 0.00 C ATOM 672 OE1 GLU A 45 -14.007 -0.177 -8.806 1.00 0.00 O ATOM 673 OE2 GLU A 45 -14.949 -1.084 -7.049 1.00 0.00 O ATOM 0 H GLU A 45 -11.337 0.353 -4.223 1.00 0.00 H new ATOM 0 HA GLU A 45 -11.982 -1.148 -6.682 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.851 1.837 -6.168 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.859 1.138 -7.775 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.043 0.786 -5.689 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.109 1.880 -7.057 1.00 0.00 H new ATOM 680 N ARG A 46 -9.671 0.351 -7.642 1.00 0.00 N ATOM 681 CA ARG A 46 -8.304 0.333 -8.149 1.00 0.00 C ATOM 682 C ARG A 46 -7.345 1.022 -7.189 1.00 0.00 C ATOM 683 O ARG A 46 -7.764 1.746 -6.287 1.00 0.00 O ATOM 684 CB ARG A 46 -8.225 0.991 -9.523 1.00 0.00 C ATOM 685 CG ARG A 46 -9.205 0.438 -10.553 1.00 0.00 C ATOM 686 CD ARG A 46 -9.081 -1.070 -10.757 1.00 0.00 C ATOM 687 NE ARG A 46 -9.611 -1.835 -9.625 1.00 0.00 N ATOM 688 CZ ARG A 46 -9.643 -3.167 -9.568 1.00 0.00 C ATOM 689 NH1 ARG A 46 -9.112 -3.898 -10.538 1.00 0.00 N ATOM 690 NH2 ARG A 46 -10.200 -3.775 -8.529 1.00 0.00 N ATOM 0 H ARG A 46 -10.317 0.904 -8.206 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.006 -0.712 -8.240 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.404 2.060 -9.409 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -7.212 0.876 -9.908 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.222 0.673 -10.239 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -9.042 0.941 -11.506 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.612 -1.355 -11.665 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.033 -1.328 -10.907 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.979 -1.315 -8.829 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.673 -3.442 -11.338 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.142 -4.916 -10.484 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.605 -3.224 -7.772 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.224 -4.794 -8.487 1.00 0.00 H new ATOM 704 N PHE A 47 -6.072 0.685 -7.310 1.00 0.00 N ATOM 705 CA PHE A 47 -5.075 1.150 -6.364 1.00 0.00 C ATOM 706 C PHE A 47 -3.696 1.186 -7.014 1.00 0.00 C ATOM 707 O PHE A 47 -3.435 0.466 -7.982 1.00 0.00 O ATOM 708 CB PHE A 47 -5.068 0.229 -5.139 1.00 0.00 C ATOM 709 CG PHE A 47 -4.622 -1.183 -5.416 1.00 0.00 C ATOM 710 CD1 PHE A 47 -3.279 -1.485 -5.618 1.00 0.00 C ATOM 711 CD2 PHE A 47 -5.550 -2.210 -5.477 1.00 0.00 C ATOM 712 CE1 PHE A 47 -2.877 -2.780 -5.868 1.00 0.00 C ATOM 713 CE2 PHE A 47 -5.151 -3.509 -5.728 1.00 0.00 C ATOM 714 CZ PHE A 47 -3.814 -3.793 -5.922 1.00 0.00 C ATOM 0 H PHE A 47 -5.706 0.091 -8.054 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.325 2.163 -6.049 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.414 0.660 -4.381 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.072 0.202 -4.716 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.543 -0.696 -5.579 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.597 -1.993 -5.327 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.831 -3.002 -6.021 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -5.884 -4.301 -5.772 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.501 -4.808 -6.116 1.00 0.00 H new ATOM 724 N ALA A 48 -2.805 1.968 -6.436 1.00 0.00 N ATOM 725 CA ALA A 48 -1.429 2.034 -6.898 1.00 0.00 C ATOM 726 C ALA A 48 -0.556 1.141 -6.040 1.00 0.00 C ATOM 727 O ALA A 48 -0.929 0.803 -4.923 1.00 0.00 O ATOM 728 CB ALA A 48 -0.910 3.461 -6.896 1.00 0.00 C ATOM 0 H ALA A 48 -3.010 2.571 -5.640 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.395 1.679 -7.928 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.122 3.473 -7.247 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.525 4.073 -7.556 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.954 3.863 -5.884 1.00 0.00 H new ATOM 734 N TYR A 49 0.545 0.672 -6.595 1.00 0.00 N ATOM 735 CA TYR A 49 1.381 -0.282 -5.898 1.00 0.00 C ATOM 736 C TYR A 49 2.848 0.012 -6.220 1.00 0.00 C ATOM 737 O TYR A 49 3.154 0.575 -7.273 1.00 0.00 O ATOM 738 CB TYR A 49 1.008 -1.717 -6.318 1.00 0.00 C ATOM 739 CG TYR A 49 1.719 -2.219 -7.552 1.00 0.00 C ATOM 740 CD1 TYR A 49 3.018 -2.678 -7.450 1.00 0.00 C ATOM 741 CD2 TYR A 49 1.116 -2.223 -8.800 1.00 0.00 C ATOM 742 CE1 TYR A 49 3.711 -3.133 -8.542 1.00 0.00 C ATOM 743 CE2 TYR A 49 1.800 -2.682 -9.912 1.00 0.00 C ATOM 744 CZ TYR A 49 3.100 -3.138 -9.776 1.00 0.00 C ATOM 745 OH TYR A 49 3.791 -3.596 -10.876 1.00 0.00 O ATOM 0 H TYR A 49 0.879 0.935 -7.522 1.00 0.00 H new ATOM 0 HA TYR A 49 1.226 -0.193 -4.823 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.226 -2.392 -5.490 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.067 -1.762 -6.491 1.00 0.00 H new ATOM 0 HD1 TYR A 49 3.501 -2.678 -6.484 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.103 -1.865 -8.906 1.00 0.00 H new ATOM 0 HE1 TYR A 49 4.727 -3.484 -8.435 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.322 -2.684 -10.881 1.00 0.00 H new ATOM 0 HH TYR A 49 3.220 -3.535 -11.670 1.00 0.00 H new ATOM 755 N VAL A 50 3.747 -0.361 -5.322 1.00 0.00 N ATOM 756 CA VAL A 50 5.171 -0.136 -5.521 1.00 0.00 C ATOM 757 C VAL A 50 5.960 -1.387 -5.185 1.00 0.00 C ATOM 758 O VAL A 50 5.825 -1.937 -4.089 1.00 0.00 O ATOM 759 CB VAL A 50 5.695 1.007 -4.628 1.00 0.00 C ATOM 760 CG1 VAL A 50 7.173 1.257 -4.883 1.00 0.00 C ATOM 761 CG2 VAL A 50 4.891 2.277 -4.839 1.00 0.00 C ATOM 0 H VAL A 50 3.514 -0.824 -4.443 1.00 0.00 H new ATOM 0 HA VAL A 50 5.304 0.131 -6.570 1.00 0.00 H new ATOM 0 HB VAL A 50 5.575 0.702 -3.589 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.521 2.067 -4.242 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.739 0.352 -4.662 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.321 1.532 -5.927 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.282 3.066 -4.197 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.967 2.586 -5.881 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.846 2.092 -4.590 1.00 0.00 H new ATOM 771 N ASP A 51 6.842 -1.784 -6.091 1.00 0.00 N ATOM 772 CA ASP A 51 7.720 -2.910 -5.842 1.00 0.00 C ATOM 773 C ASP A 51 8.828 -2.531 -4.866 1.00 0.00 C ATOM 774 O ASP A 51 9.453 -1.481 -4.982 1.00 0.00 O ATOM 775 CB ASP A 51 8.308 -3.485 -7.144 1.00 0.00 C ATOM 776 CG ASP A 51 9.041 -2.475 -8.018 1.00 0.00 C ATOM 777 OD1 ASP A 51 8.981 -1.263 -7.737 1.00 0.00 O ATOM 778 OD2 ASP A 51 9.657 -2.896 -9.020 1.00 0.00 O ATOM 0 H ASP A 51 6.966 -1.342 -7.002 1.00 0.00 H new ATOM 0 HA ASP A 51 7.115 -3.695 -5.388 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.997 -4.291 -6.890 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.500 -3.928 -7.726 1.00 0.00 H new ATOM 783 N ILE A 52 9.026 -3.376 -3.869 1.00 0.00 N ATOM 784 CA ILE A 52 10.010 -3.125 -2.825 1.00 0.00 C ATOM 785 C ILE A 52 10.618 -4.414 -2.299 1.00 0.00 C ATOM 786 O ILE A 52 11.825 -4.505 -2.193 1.00 0.00 O ATOM 787 CB ILE A 52 9.468 -2.250 -1.674 1.00 0.00 C ATOM 788 CG1 ILE A 52 7.976 -2.462 -1.478 1.00 0.00 C ATOM 789 CG2 ILE A 52 9.777 -0.788 -1.913 1.00 0.00 C ATOM 790 CD1 ILE A 52 7.622 -3.791 -0.879 1.00 0.00 C ATOM 0 H ILE A 52 8.514 -4.251 -3.759 1.00 0.00 H new ATOM 0 HA ILE A 52 10.804 -2.549 -3.300 1.00 0.00 H new ATOM 0 HB ILE A 52 9.973 -2.557 -0.758 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.588 -1.671 -0.836 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.476 -2.365 -2.442 1.00 0.00 H new ATOM 0 HG21 ILE A 52 9.385 -0.194 -1.088 1.00 0.00 H new ATOM 0 HG22 ILE A 52 10.856 -0.650 -1.978 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.313 -0.466 -2.845 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.540 -3.865 -0.771 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.977 -4.590 -1.530 1.00 0.00 H new ATOM 0 HD13 ILE A 52 8.091 -3.885 0.100 1.00 0.00 H new ATOM 802 N LEU A 53 9.840 -5.490 -2.211 1.00 0.00 N ATOM 803 CA LEU A 53 10.467 -6.791 -1.981 1.00 0.00 C ATOM 804 C LEU A 53 11.329 -7.161 -3.190 1.00 0.00 C ATOM 805 O LEU A 53 12.150 -8.073 -3.126 1.00 0.00 O ATOM 806 CB LEU A 53 9.476 -7.927 -1.683 1.00 0.00 C ATOM 807 CG LEU A 53 8.666 -7.823 -0.383 1.00 0.00 C ATOM 808 CD1 LEU A 53 9.478 -7.146 0.699 1.00 0.00 C ATOM 809 CD2 LEU A 53 7.332 -7.130 -0.591 1.00 0.00 C ATOM 0 H LEU A 53 8.823 -5.494 -2.291 1.00 0.00 H new ATOM 0 HA LEU A 53 11.075 -6.682 -1.083 1.00 0.00 H new ATOM 0 HB2 LEU A 53 8.775 -7.991 -2.515 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.032 -8.864 -1.662 1.00 0.00 H new ATOM 0 HG LEU A 53 8.441 -8.838 -0.057 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.886 -7.082 1.612 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.381 -7.725 0.892 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.753 -6.143 0.374 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.796 -7.081 0.357 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.501 -6.120 -0.965 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.740 -7.691 -1.314 1.00 0.00 H new ATOM 821 N GLN A 54 11.162 -6.400 -4.271 1.00 0.00 N ATOM 822 CA GLN A 54 11.951 -6.578 -5.479 1.00 0.00 C ATOM 823 C GLN A 54 13.125 -5.577 -5.509 1.00 0.00 C ATOM 824 O GLN A 54 14.264 -5.971 -5.747 1.00 0.00 O ATOM 825 CB GLN A 54 11.035 -6.456 -6.715 1.00 0.00 C ATOM 826 CG GLN A 54 11.728 -6.677 -8.061 1.00 0.00 C ATOM 827 CD GLN A 54 12.408 -5.436 -8.621 1.00 0.00 C ATOM 828 OE1 GLN A 54 12.143 -4.288 -8.021 1.00 0.00 O flip ATOM 829 NE2 GLN A 54 13.105 -5.501 -9.630 1.00 0.00 N flip ATOM 0 H GLN A 54 10.477 -5.646 -4.329 1.00 0.00 H new ATOM 0 HA GLN A 54 12.391 -7.575 -5.491 1.00 0.00 H new ATOM 0 HB2 GLN A 54 10.223 -7.177 -6.619 1.00 0.00 H new ATOM 0 HB3 GLN A 54 10.582 -5.465 -6.716 1.00 0.00 H new ATOM 0 HG2 GLN A 54 12.471 -7.466 -7.950 1.00 0.00 H new ATOM 0 HG3 GLN A 54 10.992 -7.032 -8.783 1.00 0.00 H new ATOM 0 HE21 GLN A 54 13.288 -6.405 -10.066 1.00 0.00 H new ATOM 0 HE22 GLN A 54 13.501 -4.651 -10.032 1.00 0.00 H new ATOM 838 N ASN A 55 12.863 -4.300 -5.179 1.00 0.00 N ATOM 839 CA ASN A 55 13.939 -3.296 -5.084 1.00 0.00 C ATOM 840 C ASN A 55 14.629 -3.385 -3.736 1.00 0.00 C ATOM 841 O ASN A 55 14.002 -3.170 -2.713 1.00 0.00 O ATOM 842 CB ASN A 55 13.398 -1.870 -5.266 1.00 0.00 C ATOM 843 CG ASN A 55 12.819 -1.611 -6.641 1.00 0.00 C ATOM 844 OD1 ASN A 55 13.501 -1.755 -7.657 1.00 0.00 O ATOM 845 ND2 ASN A 55 11.566 -1.199 -6.679 1.00 0.00 N ATOM 0 H ASN A 55 11.930 -3.942 -4.976 1.00 0.00 H new ATOM 0 HA ASN A 55 14.649 -3.510 -5.883 1.00 0.00 H new ATOM 0 HB2 ASN A 55 12.629 -1.684 -4.516 1.00 0.00 H new ATOM 0 HB3 ASN A 55 14.203 -1.159 -5.080 1.00 0.00 H new ATOM 0 HD21 ASN A 55 11.126 -0.986 -7.574 1.00 0.00 H new ATOM 0 HD22 ASN A 55 11.037 -1.093 -5.813 1.00 0.00 H new ATOM 852 N PRO A 56 15.930 -3.693 -3.710 1.00 0.00 N ATOM 853 CA PRO A 56 16.684 -3.818 -2.458 1.00 0.00 C ATOM 854 C PRO A 56 16.778 -2.514 -1.662 1.00 0.00 C ATOM 855 O PRO A 56 16.713 -2.525 -0.433 1.00 0.00 O ATOM 856 CB PRO A 56 18.078 -4.264 -2.914 1.00 0.00 C ATOM 857 CG PRO A 56 18.165 -3.874 -4.349 1.00 0.00 C ATOM 858 CD PRO A 56 16.767 -3.959 -4.893 1.00 0.00 C ATOM 0 HA PRO A 56 16.192 -4.514 -1.778 1.00 0.00 H new ATOM 0 HB2 PRO A 56 18.858 -3.779 -2.327 1.00 0.00 H new ATOM 0 HB3 PRO A 56 18.207 -5.339 -2.790 1.00 0.00 H new ATOM 0 HG2 PRO A 56 18.563 -2.865 -4.454 1.00 0.00 H new ATOM 0 HG3 PRO A 56 18.835 -4.539 -4.893 1.00 0.00 H new ATOM 0 HD2 PRO A 56 16.596 -3.225 -5.681 1.00 0.00 H new ATOM 0 HD3 PRO A 56 16.560 -4.940 -5.321 1.00 0.00 H new ATOM 866 N ASP A 57 17.055 -1.418 -2.357 1.00 0.00 N ATOM 867 CA ASP A 57 17.309 -0.133 -1.698 1.00 0.00 C ATOM 868 C ASP A 57 16.027 0.469 -1.129 1.00 0.00 C ATOM 869 O ASP A 57 15.963 0.835 0.046 1.00 0.00 O ATOM 870 CB ASP A 57 17.953 0.829 -2.704 1.00 0.00 C ATOM 871 CG ASP A 57 18.359 2.170 -2.115 1.00 0.00 C ATOM 872 OD1 ASP A 57 18.198 2.380 -0.897 1.00 0.00 O ATOM 873 OD2 ASP A 57 18.869 3.016 -2.877 1.00 0.00 O ATOM 0 H ASP A 57 17.111 -1.388 -3.375 1.00 0.00 H new ATOM 0 HA ASP A 57 17.987 -0.299 -0.861 1.00 0.00 H new ATOM 0 HB2 ASP A 57 18.834 0.352 -3.132 1.00 0.00 H new ATOM 0 HB3 ASP A 57 17.254 1.001 -3.523 1.00 0.00 H new ATOM 878 N ILE A 58 15.013 0.582 -1.971 1.00 0.00 N ATOM 879 CA ILE A 58 13.742 1.162 -1.558 1.00 0.00 C ATOM 880 C ILE A 58 13.104 0.318 -0.453 1.00 0.00 C ATOM 881 O ILE A 58 12.457 0.837 0.452 1.00 0.00 O ATOM 882 CB ILE A 58 12.774 1.293 -2.758 1.00 0.00 C ATOM 883 CG1 ILE A 58 13.456 2.041 -3.909 1.00 0.00 C ATOM 884 CG2 ILE A 58 11.505 2.027 -2.342 1.00 0.00 C ATOM 885 CD1 ILE A 58 12.591 2.187 -5.144 1.00 0.00 C ATOM 0 H ILE A 58 15.043 0.280 -2.945 1.00 0.00 H new ATOM 0 HA ILE A 58 13.939 2.161 -1.169 1.00 0.00 H new ATOM 0 HB ILE A 58 12.505 0.292 -3.095 1.00 0.00 H new ATOM 0 HG12 ILE A 58 13.748 3.032 -3.563 1.00 0.00 H new ATOM 0 HG13 ILE A 58 14.372 1.515 -4.179 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.836 2.110 -3.198 1.00 0.00 H new ATOM 0 HG22 ILE A 58 11.008 1.473 -1.546 1.00 0.00 H new ATOM 0 HG23 ILE A 58 11.762 3.024 -1.984 1.00 0.00 H new ATOM 0 HD11 ILE A 58 13.143 2.727 -5.913 1.00 0.00 H new ATOM 0 HD12 ILE A 58 12.320 1.199 -5.517 1.00 0.00 H new ATOM 0 HD13 ILE A 58 11.686 2.740 -4.891 1.00 0.00 H new ATOM 897 N ARG A 59 13.294 -0.992 -0.556 1.00 0.00 N ATOM 898 CA ARG A 59 12.745 -1.963 0.388 1.00 0.00 C ATOM 899 C ARG A 59 13.087 -1.649 1.839 1.00 0.00 C ATOM 900 O ARG A 59 12.422 -2.145 2.743 1.00 0.00 O ATOM 901 CB ARG A 59 13.299 -3.350 0.063 1.00 0.00 C ATOM 902 CG ARG A 59 12.748 -4.476 0.923 1.00 0.00 C ATOM 903 CD ARG A 59 13.392 -5.797 0.551 1.00 0.00 C ATOM 904 NE ARG A 59 14.829 -5.803 0.827 1.00 0.00 N ATOM 905 CZ ARG A 59 15.656 -6.787 0.470 1.00 0.00 C ATOM 906 NH1 ARG A 59 15.205 -7.818 -0.236 1.00 0.00 N ATOM 907 NH2 ARG A 59 16.939 -6.741 0.806 1.00 0.00 N ATOM 0 H ARG A 59 13.840 -1.417 -1.306 1.00 0.00 H new ATOM 0 HA ARG A 59 11.661 -1.922 0.282 1.00 0.00 H new ATOM 0 HB2 ARG A 59 13.088 -3.574 -0.983 1.00 0.00 H new ATOM 0 HB3 ARG A 59 14.383 -3.327 0.171 1.00 0.00 H new ATOM 0 HG2 ARG A 59 12.931 -4.260 1.976 1.00 0.00 H new ATOM 0 HG3 ARG A 59 11.668 -4.543 0.795 1.00 0.00 H new ATOM 0 HD2 ARG A 59 12.913 -6.603 1.106 1.00 0.00 H new ATOM 0 HD3 ARG A 59 13.225 -5.996 -0.508 1.00 0.00 H new ATOM 0 HE ARG A 59 15.223 -5.004 1.324 1.00 0.00 H new ATOM 0 HH11 ARG A 59 14.223 -7.860 -0.507 1.00 0.00 H new ATOM 0 HH12 ARG A 59 15.841 -8.568 -0.507 1.00 0.00 H new ATOM 0 HH21 ARG A 59 17.298 -5.950 1.340 1.00 0.00 H new ATOM 0 HH22 ARG A 59 17.566 -7.497 0.530 1.00 0.00 H new ATOM 921 N ALA A 60 14.250 -1.065 2.062 1.00 0.00 N ATOM 922 CA ALA A 60 14.778 -0.993 3.403 1.00 0.00 C ATOM 923 C ALA A 60 14.306 0.234 4.147 1.00 0.00 C ATOM 924 O ALA A 60 14.330 0.241 5.368 1.00 0.00 O ATOM 925 CB ALA A 60 16.298 -1.030 3.361 1.00 0.00 C ATOM 0 H ALA A 60 14.835 -0.641 1.342 1.00 0.00 H new ATOM 0 HA ALA A 60 14.401 -1.859 3.948 1.00 0.00 H new ATOM 0 HB1 ALA A 60 16.691 -0.975 4.376 1.00 0.00 H new ATOM 0 HB2 ALA A 60 16.627 -1.958 2.894 1.00 0.00 H new ATOM 0 HB3 ALA A 60 16.667 -0.183 2.783 1.00 0.00 H new ATOM 931 N GLU A 61 14.288 1.343 3.436 1.00 0.00 N ATOM 932 CA GLU A 61 14.313 2.626 4.097 1.00 0.00 C ATOM 933 C GLU A 61 12.965 3.089 4.680 1.00 0.00 C ATOM 934 O GLU A 61 12.875 3.366 5.875 1.00 0.00 O ATOM 935 CB GLU A 61 14.852 3.639 3.109 1.00 0.00 C ATOM 936 CG GLU A 61 15.236 4.934 3.750 1.00 0.00 C ATOM 937 CD GLU A 61 16.310 4.770 4.819 1.00 0.00 C ATOM 938 OE1 GLU A 61 16.816 3.644 5.009 1.00 0.00 O ATOM 939 OE2 GLU A 61 16.669 5.772 5.467 1.00 0.00 O ATOM 0 H GLU A 61 14.257 1.380 2.417 1.00 0.00 H new ATOM 0 HA GLU A 61 14.955 2.529 4.972 1.00 0.00 H new ATOM 0 HB2 GLU A 61 15.721 3.218 2.604 1.00 0.00 H new ATOM 0 HB3 GLU A 61 14.099 3.828 2.344 1.00 0.00 H new ATOM 0 HG2 GLU A 61 15.595 5.621 2.984 1.00 0.00 H new ATOM 0 HG3 GLU A 61 14.352 5.389 4.197 1.00 0.00 H new ATOM 946 N LEU A 62 11.938 3.235 3.844 1.00 0.00 N ATOM 947 CA LEU A 62 10.640 3.741 4.324 1.00 0.00 C ATOM 948 C LEU A 62 9.900 2.778 5.268 1.00 0.00 C ATOM 949 O LEU A 62 9.162 3.245 6.129 1.00 0.00 O ATOM 950 CB LEU A 62 9.688 4.173 3.199 1.00 0.00 C ATOM 951 CG LEU A 62 9.233 3.086 2.233 1.00 0.00 C ATOM 952 CD1 LEU A 62 7.978 3.528 1.510 1.00 0.00 C ATOM 953 CD2 LEU A 62 10.321 2.794 1.225 1.00 0.00 C ATOM 0 H LEU A 62 11.970 3.017 2.848 1.00 0.00 H new ATOM 0 HA LEU A 62 10.923 4.625 4.895 1.00 0.00 H new ATOM 0 HB2 LEU A 62 8.802 4.616 3.654 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.177 4.958 2.622 1.00 0.00 H new ATOM 0 HG LEU A 62 9.022 2.181 2.802 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.660 2.745 0.822 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.187 3.716 2.236 1.00 0.00 H new ATOM 0 HD13 LEU A 62 8.183 4.441 0.951 1.00 0.00 H new ATOM 0 HD21 LEU A 62 9.984 2.016 0.541 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.548 3.699 0.662 1.00 0.00 H new ATOM 0 HD23 LEU A 62 11.218 2.456 1.745 1.00 0.00 H new ATOM 965 N PRO A 63 10.031 1.438 5.142 1.00 0.00 N ATOM 966 CA PRO A 63 9.312 0.518 6.026 1.00 0.00 C ATOM 967 C PRO A 63 9.653 0.778 7.479 1.00 0.00 C ATOM 968 O PRO A 63 8.766 0.851 8.335 1.00 0.00 O ATOM 969 CB PRO A 63 9.813 -0.864 5.607 1.00 0.00 C ATOM 970 CG PRO A 63 11.067 -0.603 4.861 1.00 0.00 C ATOM 971 CD PRO A 63 10.844 0.700 4.166 1.00 0.00 C ATOM 0 HA PRO A 63 8.231 0.626 5.942 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.994 -1.499 6.474 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.081 -1.377 4.983 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.922 -0.549 5.535 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.274 -1.400 4.147 1.00 0.00 H new ATOM 0 HD2 PRO A 63 11.782 1.211 3.948 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.323 0.571 3.217 1.00 0.00 H new ATOM 979 N LYS A 64 10.944 0.983 7.726 1.00 0.00 N ATOM 980 CA LYS A 64 11.449 1.312 9.049 1.00 0.00 C ATOM 981 C LYS A 64 10.745 2.544 9.582 1.00 0.00 C ATOM 982 O LYS A 64 10.375 2.611 10.756 1.00 0.00 O ATOM 983 CB LYS A 64 12.949 1.554 8.983 1.00 0.00 C ATOM 984 CG LYS A 64 13.729 0.341 8.513 1.00 0.00 C ATOM 985 CD LYS A 64 15.211 0.645 8.410 1.00 0.00 C ATOM 986 CE LYS A 64 15.471 1.819 7.476 1.00 0.00 C ATOM 987 NZ LYS A 64 16.918 2.048 7.236 1.00 0.00 N ATOM 0 H LYS A 64 11.668 0.925 7.010 1.00 0.00 H new ATOM 0 HA LYS A 64 11.254 0.478 9.722 1.00 0.00 H new ATOM 0 HB2 LYS A 64 13.147 2.388 8.310 1.00 0.00 H new ATOM 0 HB3 LYS A 64 13.307 1.848 9.970 1.00 0.00 H new ATOM 0 HG2 LYS A 64 13.572 -0.486 9.206 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.353 0.018 7.542 1.00 0.00 H new ATOM 0 HD2 LYS A 64 15.608 0.870 9.400 1.00 0.00 H new ATOM 0 HD3 LYS A 64 15.741 -0.236 8.047 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.973 1.638 6.524 1.00 0.00 H new ATOM 0 HE3 LYS A 64 15.030 2.721 7.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 17.037 2.741 6.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 17.360 2.412 8.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 17.371 1.152 6.966 1.00 0.00 H new ATOM 1001 N TYR A 65 10.495 3.474 8.676 1.00 0.00 N ATOM 1002 CA TYR A 65 9.747 4.671 8.989 1.00 0.00 C ATOM 1003 C TYR A 65 8.304 4.320 9.354 1.00 0.00 C ATOM 1004 O TYR A 65 7.758 4.880 10.309 1.00 0.00 O ATOM 1005 CB TYR A 65 9.849 5.662 7.800 1.00 0.00 C ATOM 1006 CG TYR A 65 8.549 6.220 7.213 1.00 0.00 C ATOM 1007 CD1 TYR A 65 7.542 6.753 8.013 1.00 0.00 C ATOM 1008 CD2 TYR A 65 8.357 6.238 5.831 1.00 0.00 C ATOM 1009 CE1 TYR A 65 6.387 7.266 7.461 1.00 0.00 C ATOM 1010 CE2 TYR A 65 7.203 6.762 5.277 1.00 0.00 C ATOM 1011 CZ TYR A 65 6.223 7.270 6.103 1.00 0.00 C ATOM 1012 OH TYR A 65 5.074 7.805 5.572 1.00 0.00 O ATOM 0 H TYR A 65 10.806 3.417 7.706 1.00 0.00 H new ATOM 0 HA TYR A 65 10.171 5.163 9.864 1.00 0.00 H new ATOM 0 HB2 TYR A 65 10.459 6.506 8.121 1.00 0.00 H new ATOM 0 HB3 TYR A 65 10.391 5.164 6.996 1.00 0.00 H new ATOM 0 HD1 TYR A 65 7.668 6.765 9.086 1.00 0.00 H new ATOM 0 HD2 TYR A 65 9.122 5.836 5.183 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.613 7.664 8.100 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.071 6.773 4.205 1.00 0.00 H new ATOM 0 HH TYR A 65 5.058 7.651 4.604 1.00 0.00 H new ATOM 1022 N ALA A 66 7.628 3.532 8.513 1.00 0.00 N ATOM 1023 CA ALA A 66 6.202 3.334 8.712 1.00 0.00 C ATOM 1024 C ALA A 66 5.886 2.431 9.908 1.00 0.00 C ATOM 1025 O ALA A 66 5.309 2.900 10.889 1.00 0.00 O ATOM 1026 CB ALA A 66 5.614 2.745 7.447 1.00 0.00 C ATOM 0 H ALA A 66 8.033 3.039 7.717 1.00 0.00 H new ATOM 0 HA ALA A 66 5.757 4.304 8.932 1.00 0.00 H new ATOM 0 HB1 ALA A 66 4.543 2.591 7.581 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.781 3.430 6.615 1.00 0.00 H new ATOM 0 HB3 ALA A 66 6.094 1.790 7.233 1.00 0.00 H new ATOM 1032 N ASN A 67 6.444 1.219 9.915 1.00 0.00 N ATOM 1033 CA ASN A 67 6.411 0.351 11.099 1.00 0.00 C ATOM 1034 C ASN A 67 7.223 -0.917 10.847 1.00 0.00 C ATOM 1035 O ASN A 67 8.076 -1.316 11.636 1.00 0.00 O ATOM 1036 CB ASN A 67 4.970 -0.001 11.489 1.00 0.00 C ATOM 1037 CG ASN A 67 4.892 -0.891 12.717 1.00 0.00 C ATOM 1038 OD1 ASN A 67 5.404 -0.548 13.784 1.00 0.00 O ATOM 1039 ND2 ASN A 67 4.225 -2.026 12.581 1.00 0.00 N ATOM 0 H ASN A 67 6.926 0.813 9.113 1.00 0.00 H new ATOM 0 HA ASN A 67 6.858 0.895 11.931 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.415 0.918 11.676 1.00 0.00 H new ATOM 0 HB3 ASN A 67 4.484 -0.502 10.652 1.00 0.00 H new ATOM 0 HD21 ASN A 67 4.120 -2.654 13.378 1.00 0.00 H new ATOM 0 HD22 ASN A 67 3.816 -2.272 11.680 1.00 0.00 H new ATOM 1046 N TRP A 68 6.882 -1.555 9.730 1.00 0.00 N ATOM 1047 CA TRP A 68 7.469 -2.819 9.283 1.00 0.00 C ATOM 1048 C TRP A 68 8.978 -2.730 9.064 1.00 0.00 C ATOM 1049 O TRP A 68 9.475 -1.726 8.594 1.00 0.00 O ATOM 1050 CB TRP A 68 6.837 -3.243 7.954 1.00 0.00 C ATOM 1051 CG TRP A 68 5.484 -3.894 8.030 1.00 0.00 C ATOM 1052 CD1 TRP A 68 5.175 -5.110 7.503 1.00 0.00 C ATOM 1053 CD2 TRP A 68 4.264 -3.386 8.601 1.00 0.00 C ATOM 1054 NE1 TRP A 68 3.854 -5.403 7.722 1.00 0.00 N ATOM 1055 CE2 TRP A 68 3.274 -4.367 8.395 1.00 0.00 C ATOM 1056 CE3 TRP A 68 3.909 -2.214 9.269 1.00 0.00 C ATOM 1057 CZ2 TRP A 68 1.962 -4.210 8.834 1.00 0.00 C ATOM 1058 CZ3 TRP A 68 2.605 -2.058 9.702 1.00 0.00 C ATOM 1059 CH2 TRP A 68 1.648 -3.051 9.486 1.00 0.00 C ATOM 0 H TRP A 68 6.170 -1.199 9.092 1.00 0.00 H new ATOM 0 HA TRP A 68 7.274 -3.542 10.075 1.00 0.00 H new ATOM 0 HB2 TRP A 68 6.756 -2.361 7.319 1.00 0.00 H new ATOM 0 HB3 TRP A 68 7.519 -3.932 7.457 1.00 0.00 H new ATOM 0 HD1 TRP A 68 5.872 -5.753 6.986 1.00 0.00 H new ATOM 0 HE1 TRP A 68 3.381 -6.258 7.429 1.00 0.00 H new ATOM 0 HE3 TRP A 68 4.641 -1.440 9.445 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 1.220 -4.976 8.665 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 2.322 -1.152 10.217 1.00 0.00 H new ATOM 0 HH2 TRP A 68 0.639 -2.900 9.841 1.00 0.00 H new ATOM 1070 N PRO A 69 9.706 -3.842 9.254 1.00 0.00 N ATOM 1071 CA PRO A 69 11.126 -3.912 8.891 1.00 0.00 C ATOM 1072 C PRO A 69 11.286 -3.742 7.382 1.00 0.00 C ATOM 1073 O PRO A 69 12.196 -3.069 6.899 1.00 0.00 O ATOM 1074 CB PRO A 69 11.557 -5.323 9.324 1.00 0.00 C ATOM 1075 CG PRO A 69 10.427 -5.855 10.146 1.00 0.00 C ATOM 1076 CD PRO A 69 9.190 -5.152 9.666 1.00 0.00 C ATOM 0 HA PRO A 69 11.725 -3.133 9.363 1.00 0.00 H new ATOM 0 HB2 PRO A 69 11.745 -5.958 8.458 1.00 0.00 H new ATOM 0 HB3 PRO A 69 12.481 -5.291 9.902 1.00 0.00 H new ATOM 0 HG2 PRO A 69 10.333 -6.934 10.025 1.00 0.00 H new ATOM 0 HG3 PRO A 69 10.595 -5.666 11.206 1.00 0.00 H new ATOM 0 HD2 PRO A 69 8.719 -5.681 8.838 1.00 0.00 H new ATOM 0 HD3 PRO A 69 8.442 -5.064 10.454 1.00 0.00 H new ATOM 1084 N THR A 70 10.324 -4.310 6.666 1.00 0.00 N ATOM 1085 CA THR A 70 10.222 -4.212 5.221 1.00 0.00 C ATOM 1086 C THR A 70 8.746 -4.079 4.833 1.00 0.00 C ATOM 1087 O THR A 70 8.061 -3.182 5.311 1.00 0.00 O ATOM 1088 CB THR A 70 10.869 -5.426 4.522 1.00 0.00 C ATOM 1089 OG1 THR A 70 10.315 -6.647 5.032 1.00 0.00 O ATOM 1090 CG2 THR A 70 12.380 -5.429 4.719 1.00 0.00 C ATOM 0 H THR A 70 9.577 -4.864 7.086 1.00 0.00 H new ATOM 0 HA THR A 70 10.767 -3.329 4.888 1.00 0.00 H new ATOM 0 HB THR A 70 10.657 -5.351 3.455 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.732 -7.410 4.580 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.811 -6.295 4.216 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.804 -4.517 4.298 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.608 -5.477 5.784 1.00 0.00 H new ATOM 1098 N PHE A 71 8.242 -4.956 3.981 1.00 0.00 N ATOM 1099 CA PHE A 71 6.845 -4.880 3.570 1.00 0.00 C ATOM 1100 C PHE A 71 6.288 -6.312 3.481 1.00 0.00 C ATOM 1101 O PHE A 71 6.943 -7.229 3.974 1.00 0.00 O ATOM 1102 CB PHE A 71 6.739 -4.139 2.222 1.00 0.00 C ATOM 1103 CG PHE A 71 7.400 -2.782 2.186 1.00 0.00 C ATOM 1104 CD1 PHE A 71 8.778 -2.675 2.093 1.00 0.00 C ATOM 1105 CD2 PHE A 71 6.647 -1.620 2.218 1.00 0.00 C ATOM 1106 CE1 PHE A 71 9.387 -1.444 2.041 1.00 0.00 C ATOM 1107 CE2 PHE A 71 7.256 -0.380 2.165 1.00 0.00 C ATOM 1108 CZ PHE A 71 8.625 -0.296 2.078 1.00 0.00 C ATOM 0 H PHE A 71 8.770 -5.722 3.563 1.00 0.00 H new ATOM 0 HA PHE A 71 6.256 -4.320 4.296 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.182 -4.763 1.446 1.00 0.00 H new ATOM 0 HB3 PHE A 71 5.685 -4.020 1.972 1.00 0.00 H new ATOM 0 HD1 PHE A 71 9.381 -3.570 2.061 1.00 0.00 H new ATOM 0 HD2 PHE A 71 5.571 -1.683 2.285 1.00 0.00 H new ATOM 0 HE1 PHE A 71 10.463 -1.376 1.971 1.00 0.00 H new ATOM 0 HE2 PHE A 71 6.658 0.519 2.192 1.00 0.00 H new ATOM 0 HZ PHE A 71 9.104 0.671 2.039 1.00 0.00 H new ATOM 1118 N PRO A 72 5.112 -6.584 2.852 1.00 0.00 N ATOM 1119 CA PRO A 72 4.217 -5.598 2.212 1.00 0.00 C ATOM 1120 C PRO A 72 3.554 -4.635 3.195 1.00 0.00 C ATOM 1121 O PRO A 72 3.289 -4.981 4.351 1.00 0.00 O ATOM 1122 CB PRO A 72 3.158 -6.460 1.522 1.00 0.00 C ATOM 1123 CG PRO A 72 3.142 -7.725 2.298 1.00 0.00 C ATOM 1124 CD PRO A 72 4.553 -7.946 2.758 1.00 0.00 C ATOM 0 HA PRO A 72 4.778 -4.951 1.538 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.182 -5.975 1.535 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.412 -6.639 0.477 1.00 0.00 H new ATOM 0 HG2 PRO A 72 2.462 -7.654 3.147 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.798 -8.556 1.682 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.584 -8.458 3.720 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.112 -8.560 2.052 1.00 0.00 H new ATOM 1132 N GLN A 73 3.213 -3.454 2.693 1.00 0.00 N ATOM 1133 CA GLN A 73 2.495 -2.454 3.474 1.00 0.00 C ATOM 1134 C GLN A 73 1.503 -1.720 2.581 1.00 0.00 C ATOM 1135 O GLN A 73 1.839 -1.300 1.473 1.00 0.00 O ATOM 1136 CB GLN A 73 3.431 -1.408 4.073 1.00 0.00 C ATOM 1137 CG GLN A 73 4.571 -1.942 4.914 1.00 0.00 C ATOM 1138 CD GLN A 73 5.379 -0.806 5.519 1.00 0.00 C ATOM 1139 OE1 GLN A 73 5.423 -0.743 6.835 1.00 0.00 O flip ATOM 1140 NE2 GLN A 73 5.936 0.025 4.810 1.00 0.00 N flip ATOM 0 H GLN A 73 3.425 -3.164 1.738 1.00 0.00 H new ATOM 0 HA GLN A 73 1.992 -2.987 4.281 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.852 -0.817 3.259 1.00 0.00 H new ATOM 0 HB3 GLN A 73 2.840 -0.729 4.687 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.176 -2.576 5.708 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.219 -2.567 4.300 1.00 0.00 H new ATOM 0 HE21 GLN A 73 5.882 -0.053 3.794 1.00 0.00 H new ATOM 0 HE22 GLN A 73 6.453 0.794 5.236 1.00 0.00 H new ATOM 1149 N LEU A 74 0.302 -1.544 3.089 1.00 0.00 N ATOM 1150 CA LEU A 74 -0.747 -0.824 2.384 1.00 0.00 C ATOM 1151 C LEU A 74 -0.843 0.599 2.925 1.00 0.00 C ATOM 1152 O LEU A 74 -0.839 0.808 4.140 1.00 0.00 O ATOM 1153 CB LEU A 74 -2.063 -1.599 2.548 1.00 0.00 C ATOM 1154 CG LEU A 74 -3.319 -1.059 1.835 1.00 0.00 C ATOM 1155 CD1 LEU A 74 -3.848 0.205 2.491 1.00 0.00 C ATOM 1156 CD2 LEU A 74 -3.025 -0.804 0.371 1.00 0.00 C ATOM 0 H LEU A 74 0.021 -1.895 4.004 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.524 -0.749 1.320 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.895 -2.618 2.200 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.284 -1.658 3.614 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.093 -1.821 1.920 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.733 0.550 1.956 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.110 -0.006 3.528 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.081 0.979 2.461 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.921 -0.423 -0.119 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.224 -0.070 0.283 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.718 -1.735 -0.106 1.00 0.00 H new ATOM 1168 N TRP A 75 -0.948 1.562 2.019 1.00 0.00 N ATOM 1169 CA TRP A 75 -1.076 2.963 2.383 1.00 0.00 C ATOM 1170 C TRP A 75 -2.364 3.546 1.799 1.00 0.00 C ATOM 1171 O TRP A 75 -2.578 3.524 0.587 1.00 0.00 O ATOM 1172 CB TRP A 75 0.123 3.756 1.870 1.00 0.00 C ATOM 1173 CG TRP A 75 1.438 3.308 2.436 1.00 0.00 C ATOM 1174 CD1 TRP A 75 2.122 2.156 2.160 1.00 0.00 C ATOM 1175 CD2 TRP A 75 2.209 4.000 3.419 1.00 0.00 C ATOM 1176 NE1 TRP A 75 3.289 2.118 2.887 1.00 0.00 N ATOM 1177 CE2 TRP A 75 3.358 3.236 3.668 1.00 0.00 C ATOM 1178 CE3 TRP A 75 2.038 5.201 4.101 1.00 0.00 C ATOM 1179 CZ2 TRP A 75 4.333 3.638 4.571 1.00 0.00 C ATOM 1180 CZ3 TRP A 75 3.013 5.598 5.003 1.00 0.00 C ATOM 1181 CH2 TRP A 75 4.144 4.816 5.226 1.00 0.00 C ATOM 0 H TRP A 75 -0.947 1.392 1.013 1.00 0.00 H new ATOM 0 HA TRP A 75 -1.112 3.034 3.470 1.00 0.00 H new ATOM 0 HB2 TRP A 75 0.161 3.676 0.784 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -0.023 4.810 2.107 1.00 0.00 H new ATOM 0 HD1 TRP A 75 1.794 1.390 1.473 1.00 0.00 H new ATOM 0 HE1 TRP A 75 3.988 1.376 2.849 1.00 0.00 H new ATOM 0 HE3 TRP A 75 1.163 5.811 3.931 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 5.212 3.036 4.748 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 2.894 6.527 5.541 1.00 0.00 H new ATOM 0 HH2 TRP A 75 4.887 5.152 5.934 1.00 0.00 H new ATOM 1192 N VAL A 76 -3.175 4.130 2.660 1.00 0.00 N ATOM 1193 CA VAL A 76 -4.399 4.800 2.240 1.00 0.00 C ATOM 1194 C VAL A 76 -4.197 6.304 2.326 1.00 0.00 C ATOM 1195 O VAL A 76 -3.902 6.811 3.407 1.00 0.00 O ATOM 1196 CB VAL A 76 -5.586 4.398 3.146 1.00 0.00 C ATOM 1197 CG1 VAL A 76 -6.873 5.075 2.708 1.00 0.00 C ATOM 1198 CG2 VAL A 76 -5.764 2.894 3.165 1.00 0.00 C ATOM 0 H VAL A 76 -3.009 4.156 3.666 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.625 4.503 1.216 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.355 4.735 4.156 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.687 4.770 3.366 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.751 6.157 2.759 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.107 4.784 1.684 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.605 2.635 3.809 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.959 2.538 2.153 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.857 2.425 3.547 1.00 0.00 H new ATOM 1208 N ASP A 77 -4.312 7.011 1.191 1.00 0.00 N ATOM 1209 CA ASP A 77 -4.094 8.468 1.159 1.00 0.00 C ATOM 1210 C ASP A 77 -2.689 8.765 1.698 1.00 0.00 C ATOM 1211 O ASP A 77 -2.376 9.820 2.236 1.00 0.00 O ATOM 1212 CB ASP A 77 -5.211 9.119 1.979 1.00 0.00 C ATOM 1213 CG ASP A 77 -5.226 10.647 2.037 1.00 0.00 C ATOM 1214 OD1 ASP A 77 -4.336 11.263 2.654 1.00 0.00 O ATOM 1215 OD2 ASP A 77 -6.165 11.246 1.472 1.00 0.00 O ATOM 0 H ASP A 77 -4.553 6.602 0.288 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.137 8.879 0.150 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.167 8.785 1.575 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.147 8.741 2.999 1.00 0.00 H new ATOM 1220 N GLY A 78 -1.841 7.783 1.509 1.00 0.00 N ATOM 1221 CA GLY A 78 -0.460 7.871 1.938 1.00 0.00 C ATOM 1222 C GLY A 78 -0.285 7.643 3.430 1.00 0.00 C ATOM 1223 O GLY A 78 0.672 8.132 4.029 1.00 0.00 O ATOM 0 H GLY A 78 -2.084 6.902 1.056 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.132 7.136 1.392 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.067 8.854 1.678 1.00 0.00 H new ATOM 1227 N GLU A 79 -1.172 6.850 4.020 1.00 0.00 N ATOM 1228 CA GLU A 79 -1.066 6.498 5.431 1.00 0.00 C ATOM 1229 C GLU A 79 -1.052 4.984 5.603 1.00 0.00 C ATOM 1230 O GLU A 79 -1.834 4.272 4.975 1.00 0.00 O ATOM 1231 CB GLU A 79 -2.210 7.113 6.236 1.00 0.00 C ATOM 1232 CG GLU A 79 -2.208 8.633 6.231 1.00 0.00 C ATOM 1233 CD GLU A 79 -3.349 9.222 7.030 1.00 0.00 C ATOM 1234 OE1 GLU A 79 -3.446 8.933 8.241 1.00 0.00 O ATOM 1235 OE2 GLU A 79 -4.153 9.981 6.454 1.00 0.00 O ATOM 0 H GLU A 79 -1.974 6.438 3.542 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.127 6.902 5.810 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.159 6.758 5.833 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -2.149 6.761 7.266 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.262 8.992 6.637 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.269 8.989 5.202 1.00 0.00 H new ATOM 1242 N LEU A 80 -0.091 4.495 6.376 1.00 0.00 N ATOM 1243 CA LEU A 80 0.113 3.064 6.542 1.00 0.00 C ATOM 1244 C LEU A 80 -1.015 2.404 7.320 1.00 0.00 C ATOM 1245 O LEU A 80 -1.250 2.719 8.486 1.00 0.00 O ATOM 1246 CB LEU A 80 1.441 2.799 7.259 1.00 0.00 C ATOM 1247 CG LEU A 80 1.689 1.333 7.597 1.00 0.00 C ATOM 1248 CD1 LEU A 80 1.947 0.526 6.341 1.00 0.00 C ATOM 1249 CD2 LEU A 80 2.834 1.194 8.580 1.00 0.00 C ATOM 0 H LEU A 80 0.564 5.075 6.901 1.00 0.00 H new ATOM 0 HA LEU A 80 0.131 2.629 5.543 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.257 3.158 6.632 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.466 3.382 8.180 1.00 0.00 H new ATOM 0 HG LEU A 80 0.791 0.936 8.070 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.121 -0.516 6.608 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.081 0.592 5.682 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.824 0.921 5.829 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.993 0.140 8.807 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.741 1.612 8.144 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.593 1.730 9.498 1.00 0.00 H new ATOM 1261 N VAL A 81 -1.565 1.357 6.727 1.00 0.00 N ATOM 1262 CA VAL A 81 -2.501 0.489 7.416 1.00 0.00 C ATOM 1263 C VAL A 81 -1.811 -0.835 7.779 1.00 0.00 C ATOM 1264 O VAL A 81 -1.797 -1.253 8.936 1.00 0.00 O ATOM 1265 CB VAL A 81 -3.743 0.205 6.534 1.00 0.00 C ATOM 1266 CG1 VAL A 81 -4.707 -0.749 7.222 1.00 0.00 C ATOM 1267 CG2 VAL A 81 -4.464 1.497 6.172 1.00 0.00 C ATOM 0 H VAL A 81 -1.376 1.088 5.762 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.831 0.992 8.325 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.386 -0.267 5.619 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.567 -0.926 6.576 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.203 -1.694 7.422 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.044 -0.311 8.162 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.331 1.268 5.553 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.790 1.999 7.083 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.787 2.149 5.621 1.00 0.00 H new ATOM 1277 N GLY A 82 -1.262 -1.491 6.760 1.00 0.00 N ATOM 1278 CA GLY A 82 -0.602 -2.781 6.932 1.00 0.00 C ATOM 1279 C GLY A 82 -0.790 -3.629 5.692 1.00 0.00 C ATOM 1280 O GLY A 82 -1.819 -3.501 5.042 1.00 0.00 O ATOM 0 H GLY A 82 -1.262 -1.147 5.800 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.461 -2.632 7.123 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -1.013 -3.296 7.800 1.00 0.00 H new ATOM 1284 N GLY A 83 0.266 -4.279 5.215 1.00 0.00 N ATOM 1285 CA GLY A 83 0.186 -4.852 3.881 1.00 0.00 C ATOM 1286 C GLY A 83 -0.453 -6.230 3.771 1.00 0.00 C ATOM 1287 O GLY A 83 -1.424 -6.380 3.053 1.00 0.00 O ATOM 0 H GLY A 83 1.149 -4.418 5.707 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.374 -4.164 3.247 1.00 0.00 H new ATOM 0 HA3 GLY A 83 1.195 -4.910 3.474 1.00 0.00 H new ATOM 1291 N CYS A 84 0.156 -7.263 4.338 1.00 0.00 N ATOM 1292 CA CYS A 84 -0.349 -8.618 4.093 1.00 0.00 C ATOM 1293 C CYS A 84 -1.561 -8.978 4.961 1.00 0.00 C ATOM 1294 O CYS A 84 -2.662 -9.182 4.446 1.00 0.00 O ATOM 1295 CB CYS A 84 0.776 -9.651 4.235 1.00 0.00 C ATOM 1296 SG CYS A 84 1.638 -9.606 5.819 1.00 0.00 S ATOM 0 H CYS A 84 0.970 -7.201 4.949 1.00 0.00 H new ATOM 0 HA CYS A 84 -0.707 -8.638 3.064 1.00 0.00 H new ATOM 0 HB2 CYS A 84 0.357 -10.647 4.092 1.00 0.00 H new ATOM 0 HB3 CYS A 84 1.501 -9.492 3.437 1.00 0.00 H new ATOM 0 HG CYS A 84 1.127 -10.497 6.616 1.00 0.00 H new ATOM 1302 N ASP A 85 -1.342 -9.108 6.265 1.00 0.00 N ATOM 1303 CA ASP A 85 -2.405 -9.514 7.191 1.00 0.00 C ATOM 1304 C ASP A 85 -3.434 -8.422 7.355 1.00 0.00 C ATOM 1305 O ASP A 85 -4.635 -8.688 7.419 1.00 0.00 O ATOM 1306 CB ASP A 85 -1.838 -9.861 8.574 1.00 0.00 C ATOM 1307 CG ASP A 85 -0.892 -11.042 8.572 1.00 0.00 C ATOM 1308 OD1 ASP A 85 0.142 -10.987 7.875 1.00 0.00 O ATOM 1309 OD2 ASP A 85 -1.165 -12.025 9.292 1.00 0.00 O ATOM 0 H ASP A 85 -0.440 -8.939 6.709 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.875 -10.397 6.759 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -1.315 -8.990 8.970 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -2.665 -10.072 9.252 1.00 0.00 H new ATOM 1314 N ILE A 86 -2.940 -7.216 7.563 1.00 0.00 N ATOM 1315 CA ILE A 86 -3.795 -6.094 7.893 1.00 0.00 C ATOM 1316 C ILE A 86 -4.812 -5.838 6.787 1.00 0.00 C ATOM 1317 O ILE A 86 -6.000 -5.702 7.062 1.00 0.00 O ATOM 1318 CB ILE A 86 -2.968 -4.821 8.158 1.00 0.00 C ATOM 1319 CG1 ILE A 86 -1.921 -5.077 9.250 1.00 0.00 C ATOM 1320 CG2 ILE A 86 -3.886 -3.683 8.568 1.00 0.00 C ATOM 1321 CD1 ILE A 86 -2.511 -5.469 10.587 1.00 0.00 C ATOM 0 H ILE A 86 -1.947 -6.989 7.509 1.00 0.00 H new ATOM 0 HA ILE A 86 -4.332 -6.351 8.806 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.448 -4.545 7.241 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.248 -5.866 8.916 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.319 -4.178 9.380 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.294 -2.787 8.754 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.601 -3.487 7.769 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -4.423 -3.958 9.476 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.708 -5.633 11.305 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.162 -4.671 10.946 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.090 -6.386 10.475 1.00 0.00 H new ATOM 1333 N VAL A 87 -4.362 -5.861 5.533 1.00 0.00 N ATOM 1334 CA VAL A 87 -5.274 -5.716 4.404 1.00 0.00 C ATOM 1335 C VAL A 87 -6.341 -6.794 4.416 1.00 0.00 C ATOM 1336 O VAL A 87 -7.515 -6.485 4.283 1.00 0.00 O ATOM 1337 CB VAL A 87 -4.545 -5.739 3.041 1.00 0.00 C ATOM 1338 CG1 VAL A 87 -5.535 -5.844 1.887 1.00 0.00 C ATOM 1339 CG2 VAL A 87 -3.707 -4.489 2.872 1.00 0.00 C ATOM 0 H VAL A 87 -3.382 -5.977 5.277 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.740 -4.738 4.522 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.899 -6.617 3.026 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.992 -5.858 0.942 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -6.114 -6.762 1.987 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.208 -4.987 1.906 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.199 -4.519 1.908 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.351 -3.611 2.916 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -2.967 -4.437 3.670 1.00 0.00 H new ATOM 1349 N ILE A 88 -5.942 -8.052 4.574 1.00 0.00 N ATOM 1350 CA ILE A 88 -6.911 -9.140 4.583 1.00 0.00 C ATOM 1351 C ILE A 88 -7.950 -8.949 5.677 1.00 0.00 C ATOM 1352 O ILE A 88 -9.144 -9.023 5.417 1.00 0.00 O ATOM 1353 CB ILE A 88 -6.248 -10.523 4.766 1.00 0.00 C ATOM 1354 CG1 ILE A 88 -5.354 -10.850 3.568 1.00 0.00 C ATOM 1355 CG2 ILE A 88 -7.314 -11.606 4.959 1.00 0.00 C ATOM 1356 CD1 ILE A 88 -6.114 -10.954 2.266 1.00 0.00 C ATOM 0 H ILE A 88 -4.971 -8.340 4.696 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.394 -9.113 3.606 1.00 0.00 H new ATOM 0 HB ILE A 88 -5.625 -10.494 5.660 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.589 -10.080 3.473 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -4.837 -11.791 3.755 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -6.830 -12.574 5.086 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -7.908 -11.378 5.844 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -7.963 -11.637 4.084 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.421 -11.188 1.458 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.861 -11.744 2.343 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.609 -10.006 2.057 1.00 0.00 H new ATOM 1368 N GLU A 89 -7.509 -8.753 6.907 1.00 0.00 N ATOM 1369 CA GLU A 89 -8.463 -8.631 7.996 1.00 0.00 C ATOM 1370 C GLU A 89 -9.307 -7.369 7.841 1.00 0.00 C ATOM 1371 O GLU A 89 -10.522 -7.438 7.921 1.00 0.00 O ATOM 1372 CB GLU A 89 -7.780 -8.640 9.366 1.00 0.00 C ATOM 1373 CG GLU A 89 -8.781 -8.630 10.513 1.00 0.00 C ATOM 1374 CD GLU A 89 -8.140 -8.620 11.885 1.00 0.00 C ATOM 1375 OE1 GLU A 89 -6.899 -8.564 11.975 1.00 0.00 O ATOM 1376 OE2 GLU A 89 -8.891 -8.665 12.885 1.00 0.00 O ATOM 0 H GLU A 89 -6.527 -8.677 7.173 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.114 -9.504 7.944 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.147 -9.523 9.448 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.127 -7.771 9.449 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.422 -7.754 10.416 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.424 -9.506 10.429 1.00 0.00 H new ATOM 1383 N MET A 90 -8.668 -6.234 7.569 1.00 0.00 N ATOM 1384 CA MET A 90 -9.395 -4.978 7.356 1.00 0.00 C ATOM 1385 C MET A 90 -10.380 -5.105 6.202 1.00 0.00 C ATOM 1386 O MET A 90 -11.513 -4.639 6.292 1.00 0.00 O ATOM 1387 CB MET A 90 -8.439 -3.806 7.128 1.00 0.00 C ATOM 1388 CG MET A 90 -7.651 -3.419 8.367 1.00 0.00 C ATOM 1389 SD MET A 90 -8.726 -2.938 9.733 1.00 0.00 S ATOM 1390 CE MET A 90 -7.520 -2.581 11.008 1.00 0.00 C ATOM 0 H MET A 90 -7.654 -6.154 7.490 1.00 0.00 H new ATOM 0 HA MET A 90 -9.960 -4.771 8.265 1.00 0.00 H new ATOM 0 HB2 MET A 90 -7.743 -4.065 6.330 1.00 0.00 H new ATOM 0 HB3 MET A 90 -9.010 -2.943 6.785 1.00 0.00 H new ATOM 0 HG2 MET A 90 -7.027 -4.258 8.676 1.00 0.00 H new ATOM 0 HG3 MET A 90 -6.980 -2.594 8.126 1.00 0.00 H new ATOM 0 HE1 MET A 90 -8.034 -2.269 11.917 1.00 0.00 H new ATOM 0 HE2 MET A 90 -6.931 -3.475 11.212 1.00 0.00 H new ATOM 0 HE3 MET A 90 -6.861 -1.781 10.671 1.00 0.00 H new ATOM 1400 N TYR A 91 -9.981 -5.846 5.185 1.00 0.00 N ATOM 1401 CA TYR A 91 -10.858 -6.196 4.075 1.00 0.00 C ATOM 1402 C TYR A 91 -12.095 -6.937 4.582 1.00 0.00 C ATOM 1403 O TYR A 91 -13.227 -6.572 4.266 1.00 0.00 O ATOM 1404 CB TYR A 91 -10.051 -7.054 3.089 1.00 0.00 C ATOM 1405 CG TYR A 91 -10.799 -8.200 2.455 1.00 0.00 C ATOM 1406 CD1 TYR A 91 -11.653 -8.028 1.381 1.00 0.00 C ATOM 1407 CD2 TYR A 91 -10.611 -9.478 2.945 1.00 0.00 C ATOM 1408 CE1 TYR A 91 -12.310 -9.102 0.819 1.00 0.00 C ATOM 1409 CE2 TYR A 91 -11.253 -10.556 2.405 1.00 0.00 C ATOM 1410 CZ TYR A 91 -12.108 -10.373 1.335 1.00 0.00 C ATOM 1411 OH TYR A 91 -12.763 -11.453 0.783 1.00 0.00 O ATOM 0 H TYR A 91 -9.038 -6.225 5.102 1.00 0.00 H new ATOM 0 HA TYR A 91 -11.213 -5.298 3.570 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -9.675 -6.407 2.296 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -9.183 -7.456 3.612 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -11.807 -7.038 0.977 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -9.939 -9.629 3.777 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -12.977 -8.954 -0.017 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -11.094 -11.544 2.811 1.00 0.00 H new ATOM 0 HH TYR A 91 -12.509 -12.269 1.262 1.00 0.00 H new ATOM 1421 N GLN A 92 -11.851 -7.938 5.416 1.00 0.00 N ATOM 1422 CA GLN A 92 -12.908 -8.722 6.045 1.00 0.00 C ATOM 1423 C GLN A 92 -13.778 -7.845 6.949 1.00 0.00 C ATOM 1424 O GLN A 92 -15.008 -7.925 6.928 1.00 0.00 O ATOM 1425 CB GLN A 92 -12.262 -9.845 6.833 1.00 0.00 C ATOM 1426 CG GLN A 92 -11.484 -10.770 5.927 1.00 0.00 C ATOM 1427 CD GLN A 92 -12.343 -11.763 5.193 1.00 0.00 C ATOM 1428 OE1 GLN A 92 -13.284 -11.408 4.486 1.00 0.00 O ATOM 1429 NE2 GLN A 92 -12.000 -13.024 5.352 1.00 0.00 N ATOM 0 H GLN A 92 -10.910 -8.232 5.678 1.00 0.00 H new ATOM 0 HA GLN A 92 -13.564 -9.138 5.280 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -11.597 -9.427 7.588 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -13.029 -10.410 7.362 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -10.933 -10.173 5.200 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -10.747 -11.310 6.521 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -11.210 -13.266 5.950 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -12.524 -13.759 4.877 1.00 0.00 H new ATOM 1438 N ARG A 93 -13.110 -6.992 7.721 1.00 0.00 N ATOM 1439 CA ARG A 93 -13.760 -6.053 8.636 1.00 0.00 C ATOM 1440 C ARG A 93 -14.625 -5.059 7.867 1.00 0.00 C ATOM 1441 O ARG A 93 -15.640 -4.574 8.370 1.00 0.00 O ATOM 1442 CB ARG A 93 -12.689 -5.296 9.433 1.00 0.00 C ATOM 1443 CG ARG A 93 -11.749 -6.216 10.192 1.00 0.00 C ATOM 1444 CD ARG A 93 -12.469 -6.964 11.303 1.00 0.00 C ATOM 1445 NE ARG A 93 -12.795 -6.082 12.421 1.00 0.00 N ATOM 1446 CZ ARG A 93 -11.883 -5.568 13.250 1.00 0.00 C ATOM 1447 NH1 ARG A 93 -10.624 -5.994 13.213 1.00 0.00 N ATOM 1448 NH2 ARG A 93 -12.233 -4.655 14.141 1.00 0.00 N ATOM 0 H ARG A 93 -12.092 -6.931 7.730 1.00 0.00 H new ATOM 0 HA ARG A 93 -14.401 -6.614 9.316 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -12.108 -4.676 8.751 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -13.177 -4.623 10.138 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -11.304 -6.932 9.501 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -10.932 -5.632 10.616 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -13.384 -7.408 10.910 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -11.843 -7.784 11.656 1.00 0.00 H new ATOM 0 HE ARG A 93 -13.775 -5.845 12.577 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -10.350 -6.718 12.549 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -9.932 -5.597 13.849 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -13.202 -4.342 14.196 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -11.534 -4.265 14.773 1.00 0.00 H new ATOM 1462 N GLY A 94 -14.171 -4.707 6.673 1.00 0.00 N ATOM 1463 CA GLY A 94 -14.849 -3.712 5.872 1.00 0.00 C ATOM 1464 C GLY A 94 -14.241 -2.335 6.037 1.00 0.00 C ATOM 1465 O GLY A 94 -14.358 -1.494 5.154 1.00 0.00 O ATOM 0 H GLY A 94 -13.334 -5.099 6.241 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -14.807 -4.003 4.822 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -15.902 -3.678 6.152 1.00 0.00 H new ATOM 1469 N GLU A 95 -13.602 -2.100 7.172 1.00 0.00 N ATOM 1470 CA GLU A 95 -12.988 -0.807 7.464 1.00 0.00 C ATOM 1471 C GLU A 95 -11.990 -0.381 6.379 1.00 0.00 C ATOM 1472 O GLU A 95 -11.865 0.801 6.085 1.00 0.00 O ATOM 1473 CB GLU A 95 -12.299 -0.840 8.829 1.00 0.00 C ATOM 1474 CG GLU A 95 -13.256 -1.105 9.982 1.00 0.00 C ATOM 1475 CD GLU A 95 -12.570 -1.067 11.334 1.00 0.00 C ATOM 1476 OE1 GLU A 95 -11.986 -0.018 11.676 1.00 0.00 O ATOM 1477 OE2 GLU A 95 -12.626 -2.076 12.065 1.00 0.00 O ATOM 0 H GLU A 95 -13.493 -2.792 7.914 1.00 0.00 H new ATOM 0 HA GLU A 95 -13.788 -0.067 7.481 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -11.529 -1.612 8.821 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -11.795 0.112 8.996 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -14.054 -0.363 9.964 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -13.723 -2.080 9.844 1.00 0.00 H new ATOM 1484 N LEU A 96 -11.273 -1.340 5.807 1.00 0.00 N ATOM 1485 CA LEU A 96 -10.269 -1.041 4.779 1.00 0.00 C ATOM 1486 C LEU A 96 -10.911 -0.413 3.555 1.00 0.00 C ATOM 1487 O LEU A 96 -10.552 0.685 3.150 1.00 0.00 O ATOM 1488 CB LEU A 96 -9.533 -2.312 4.359 1.00 0.00 C ATOM 1489 CG LEU A 96 -8.454 -2.116 3.293 1.00 0.00 C ATOM 1490 CD1 LEU A 96 -7.347 -1.212 3.813 1.00 0.00 C ATOM 1491 CD2 LEU A 96 -7.891 -3.457 2.860 1.00 0.00 C ATOM 0 H LEU A 96 -11.363 -2.331 6.033 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.560 -0.335 5.211 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -9.073 -2.755 5.242 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -10.264 -3.030 3.986 1.00 0.00 H new ATOM 0 HG LEU A 96 -8.907 -1.636 2.426 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.589 -1.084 3.041 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -7.764 -0.240 4.076 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.894 -1.663 4.696 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -7.124 -3.302 2.101 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.453 -3.963 3.720 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -8.691 -4.071 2.447 1.00 0.00 H new ATOM 1503 N GLN A 97 -11.900 -1.099 3.013 1.00 0.00 N ATOM 1504 CA GLN A 97 -12.651 -0.604 1.864 1.00 0.00 C ATOM 1505 C GLN A 97 -13.400 0.675 2.211 1.00 0.00 C ATOM 1506 O GLN A 97 -13.574 1.549 1.368 1.00 0.00 O ATOM 1507 CB GLN A 97 -13.606 -1.671 1.315 1.00 0.00 C ATOM 1508 CG GLN A 97 -14.495 -2.324 2.358 1.00 0.00 C ATOM 1509 CD GLN A 97 -15.401 -3.394 1.777 1.00 0.00 C ATOM 1510 OE1 GLN A 97 -16.213 -3.128 0.896 1.00 0.00 O ATOM 1511 NE2 GLN A 97 -15.265 -4.616 2.268 1.00 0.00 N ATOM 0 H GLN A 97 -12.208 -2.011 3.351 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.933 -0.371 1.078 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -14.238 -1.216 0.552 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -13.019 -2.445 0.822 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -13.871 -2.766 3.134 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -15.106 -1.559 2.837 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -14.579 -4.798 3.000 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -15.847 -5.375 1.914 1.00 0.00 H new ATOM 1520 N GLN A 98 -13.722 0.824 3.485 1.00 0.00 N ATOM 1521 CA GLN A 98 -14.315 2.053 3.992 1.00 0.00 C ATOM 1522 C GLN A 98 -13.336 3.208 3.841 1.00 0.00 C ATOM 1523 O GLN A 98 -13.690 4.279 3.342 1.00 0.00 O ATOM 1524 CB GLN A 98 -14.709 1.890 5.462 1.00 0.00 C ATOM 1525 CG GLN A 98 -15.936 1.022 5.689 1.00 0.00 C ATOM 1526 CD GLN A 98 -17.169 1.565 4.995 1.00 0.00 C ATOM 1527 OE1 GLN A 98 -17.553 2.715 5.199 1.00 0.00 O ATOM 1528 NE2 GLN A 98 -17.817 0.739 4.191 1.00 0.00 N ATOM 0 H GLN A 98 -13.582 0.103 4.193 1.00 0.00 H new ATOM 0 HA GLN A 98 -15.212 2.270 3.412 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -13.868 1.459 6.006 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -14.892 2.876 5.888 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -15.735 0.013 5.328 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -16.130 0.945 6.759 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -17.469 -0.209 4.045 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -18.665 1.050 3.716 1.00 0.00 H new ATOM 1537 N LEU A 99 -12.099 2.960 4.239 1.00 0.00 N ATOM 1538 CA LEU A 99 -11.039 3.948 4.123 1.00 0.00 C ATOM 1539 C LEU A 99 -10.719 4.193 2.660 1.00 0.00 C ATOM 1540 O LEU A 99 -10.550 5.337 2.232 1.00 0.00 O ATOM 1541 CB LEU A 99 -9.775 3.457 4.840 1.00 0.00 C ATOM 1542 CG LEU A 99 -9.980 2.985 6.280 1.00 0.00 C ATOM 1543 CD1 LEU A 99 -8.655 2.550 6.889 1.00 0.00 C ATOM 1544 CD2 LEU A 99 -10.634 4.074 7.120 1.00 0.00 C ATOM 0 H LEU A 99 -11.803 2.074 4.649 1.00 0.00 H new ATOM 0 HA LEU A 99 -11.377 4.876 4.584 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -9.346 2.637 4.264 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -9.042 4.263 4.841 1.00 0.00 H new ATOM 0 HG LEU A 99 -10.650 2.125 6.268 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -8.818 2.217 7.914 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -8.237 1.731 6.303 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -7.960 3.390 6.886 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -10.769 3.715 8.140 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -9.997 4.959 7.128 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -11.604 4.329 6.693 1.00 0.00 H new ATOM 1556 N ILE A 100 -10.617 3.101 1.906 1.00 0.00 N ATOM 1557 CA ILE A 100 -10.289 3.183 0.494 1.00 0.00 C ATOM 1558 C ILE A 100 -11.341 3.986 -0.250 1.00 0.00 C ATOM 1559 O ILE A 100 -11.000 4.838 -1.045 1.00 0.00 O ATOM 1560 CB ILE A 100 -10.153 1.793 -0.174 1.00 0.00 C ATOM 1561 CG1 ILE A 100 -9.069 0.949 0.512 1.00 0.00 C ATOM 1562 CG2 ILE A 100 -9.831 1.951 -1.656 1.00 0.00 C ATOM 1563 CD1 ILE A 100 -7.685 1.563 0.472 1.00 0.00 C ATOM 0 H ILE A 100 -10.757 2.152 2.253 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.320 3.679 0.435 1.00 0.00 H new ATOM 0 HB ILE A 100 -11.105 1.274 -0.066 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.353 0.789 1.552 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -9.033 -0.031 0.037 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -9.738 0.967 -2.115 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -10.632 2.505 -2.145 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -8.893 2.494 -1.769 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -6.980 0.904 0.978 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -7.376 1.697 -0.565 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.701 2.530 0.974 1.00 0.00 H new ATOM 1575 N LYS A 101 -12.615 3.706 0.005 1.00 0.00 N ATOM 1576 CA LYS A 101 -13.692 4.407 -0.676 1.00 0.00 C ATOM 1577 C LYS A 101 -13.626 5.902 -0.431 1.00 0.00 C ATOM 1578 O LYS A 101 -13.666 6.698 -1.366 1.00 0.00 O ATOM 1579 CB LYS A 101 -15.053 3.907 -0.211 1.00 0.00 C ATOM 1580 CG LYS A 101 -16.174 4.651 -0.897 1.00 0.00 C ATOM 1581 CD LYS A 101 -17.549 4.221 -0.430 1.00 0.00 C ATOM 1582 CE LYS A 101 -17.780 4.559 1.032 1.00 0.00 C ATOM 1583 NZ LYS A 101 -19.179 4.274 1.443 1.00 0.00 N ATOM 0 H LYS A 101 -12.924 3.002 0.675 1.00 0.00 H new ATOM 0 HA LYS A 101 -13.567 4.207 -1.740 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -15.141 2.840 -0.418 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -15.139 4.030 0.869 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -16.055 5.720 -0.719 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -16.098 4.497 -1.973 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -18.309 4.709 -1.040 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -17.663 3.147 -0.577 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -17.093 3.983 1.652 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -17.557 5.612 1.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -19.534 5.055 2.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -19.777 4.178 0.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -19.207 3.389 1.989 1.00 0.00 H new ATOM 1597 N GLU A 102 -13.567 6.273 0.835 1.00 0.00 N ATOM 1598 CA GLU A 102 -13.549 7.673 1.218 1.00 0.00 C ATOM 1599 C GLU A 102 -12.375 8.386 0.557 1.00 0.00 C ATOM 1600 O GLU A 102 -12.518 9.490 0.028 1.00 0.00 O ATOM 1601 CB GLU A 102 -13.482 7.793 2.742 1.00 0.00 C ATOM 1602 CG GLU A 102 -13.401 9.222 3.249 1.00 0.00 C ATOM 1603 CD GLU A 102 -13.447 9.302 4.759 1.00 0.00 C ATOM 1604 OE1 GLU A 102 -13.674 8.261 5.415 1.00 0.00 O ATOM 1605 OE2 GLU A 102 -13.294 10.418 5.299 1.00 0.00 O ATOM 0 H GLU A 102 -13.531 5.621 1.619 1.00 0.00 H new ATOM 0 HA GLU A 102 -14.467 8.152 0.876 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -14.362 7.316 3.172 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -12.613 7.242 3.101 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -12.479 9.680 2.892 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -14.226 9.800 2.832 1.00 0.00 H new ATOM 1612 N THR A 103 -11.230 7.726 0.567 1.00 0.00 N ATOM 1613 CA THR A 103 -10.028 8.256 -0.045 1.00 0.00 C ATOM 1614 C THR A 103 -10.102 8.231 -1.579 1.00 0.00 C ATOM 1615 O THR A 103 -9.807 9.224 -2.241 1.00 0.00 O ATOM 1616 CB THR A 103 -8.812 7.447 0.425 1.00 0.00 C ATOM 1617 OG1 THR A 103 -8.766 7.435 1.858 1.00 0.00 O ATOM 1618 CG2 THR A 103 -7.531 8.035 -0.116 1.00 0.00 C ATOM 0 H THR A 103 -11.109 6.810 0.999 1.00 0.00 H new ATOM 0 HA THR A 103 -9.931 9.297 0.264 1.00 0.00 H new ATOM 0 HB THR A 103 -8.911 6.428 0.050 1.00 0.00 H new ATOM 0 HG1 THR A 103 -9.358 6.732 2.198 1.00 0.00 H new ATOM 0 HG21 THR A 103 -6.684 7.444 0.232 1.00 0.00 H new ATOM 0 HG22 THR A 103 -7.558 8.025 -1.206 1.00 0.00 H new ATOM 0 HG23 THR A 103 -7.425 9.061 0.235 1.00 0.00 H new ATOM 1626 N ALA A 104 -10.459 7.084 -2.135 1.00 0.00 N ATOM 1627 CA ALA A 104 -10.522 6.912 -3.581 1.00 0.00 C ATOM 1628 C ALA A 104 -11.526 7.861 -4.213 1.00 0.00 C ATOM 1629 O ALA A 104 -11.237 8.466 -5.233 1.00 0.00 O ATOM 1630 CB ALA A 104 -10.873 5.476 -3.932 1.00 0.00 C ATOM 0 H ALA A 104 -10.712 6.251 -1.603 1.00 0.00 H new ATOM 0 HA ALA A 104 -9.536 7.147 -3.982 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -10.916 5.366 -5.016 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -10.113 4.807 -3.529 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -11.843 5.223 -3.503 1.00 0.00 H new ATOM 1636 N ALA A 105 -12.711 7.958 -3.625 1.00 0.00 N ATOM 1637 CA ALA A 105 -13.773 8.802 -4.167 1.00 0.00 C ATOM 1638 C ALA A 105 -13.398 10.278 -4.139 1.00 0.00 C ATOM 1639 O ALA A 105 -13.825 11.051 -4.997 1.00 0.00 O ATOM 1640 CB ALA A 105 -15.082 8.577 -3.437 1.00 0.00 C ATOM 0 H ALA A 105 -12.964 7.462 -2.770 1.00 0.00 H new ATOM 0 HA ALA A 105 -13.904 8.511 -5.209 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -15.852 9.220 -3.864 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -15.382 7.534 -3.540 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -14.955 8.815 -2.381 1.00 0.00 H new ATOM 1646 N LYS A 106 -12.606 10.688 -3.163 1.00 0.00 N ATOM 1647 CA LYS A 106 -12.208 12.079 -3.111 1.00 0.00 C ATOM 1648 C LYS A 106 -11.103 12.344 -4.133 1.00 0.00 C ATOM 1649 O LYS A 106 -11.002 13.448 -4.665 1.00 0.00 O ATOM 1650 CB LYS A 106 -11.848 12.543 -1.683 1.00 0.00 C ATOM 1651 CG LYS A 106 -10.604 11.936 -1.062 1.00 0.00 C ATOM 1652 CD LYS A 106 -9.299 12.493 -1.630 1.00 0.00 C ATOM 1653 CE LYS A 106 -9.134 14.006 -1.436 1.00 0.00 C ATOM 1654 NZ LYS A 106 -10.065 14.819 -2.270 1.00 0.00 N ATOM 0 H LYS A 106 -12.237 10.097 -2.418 1.00 0.00 H new ATOM 0 HA LYS A 106 -13.066 12.692 -3.388 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.727 13.626 -1.698 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -12.694 12.326 -1.031 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -10.625 12.109 0.014 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.624 10.857 -1.212 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -8.461 11.982 -1.157 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.251 12.265 -2.695 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -9.294 14.249 -0.386 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -8.108 14.285 -1.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -9.600 15.708 -2.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -10.321 14.285 -3.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -10.924 15.031 -1.724 1.00 0.00 H new ATOM 1668 N TYR A 107 -10.284 11.325 -4.430 1.00 0.00 N ATOM 1669 CA TYR A 107 -9.227 11.487 -5.428 1.00 0.00 C ATOM 1670 C TYR A 107 -9.731 11.201 -6.853 1.00 0.00 C ATOM 1671 O TYR A 107 -9.688 12.087 -7.700 1.00 0.00 O ATOM 1672 CB TYR A 107 -8.011 10.610 -5.109 1.00 0.00 C ATOM 1673 CG TYR A 107 -7.212 11.053 -3.901 1.00 0.00 C ATOM 1674 CD1 TYR A 107 -6.486 12.236 -3.939 1.00 0.00 C ATOM 1675 CD2 TYR A 107 -7.182 10.304 -2.725 1.00 0.00 C ATOM 1676 CE1 TYR A 107 -5.757 12.657 -2.848 1.00 0.00 C ATOM 1677 CE2 TYR A 107 -6.459 10.720 -1.639 1.00 0.00 C ATOM 1678 CZ TYR A 107 -5.745 11.898 -1.702 1.00 0.00 C ATOM 1679 OH TYR A 107 -5.022 12.317 -0.615 1.00 0.00 O ATOM 0 H TYR A 107 -10.333 10.400 -4.002 1.00 0.00 H new ATOM 0 HA TYR A 107 -8.918 12.531 -5.385 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -8.350 9.587 -4.948 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -7.353 10.595 -5.978 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -6.493 12.835 -4.837 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -7.739 9.380 -2.670 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -5.197 13.580 -2.893 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -6.448 10.127 -0.736 1.00 0.00 H new ATOM 0 HH TYR A 107 -5.560 12.208 0.197 1.00 0.00 H new ATOM 1689 N LYS A 108 -10.411 10.067 -7.047 1.00 0.00 N ATOM 1690 CA LYS A 108 -11.146 9.824 -8.286 1.00 0.00 C ATOM 1691 C LYS A 108 -12.590 10.216 -8.044 1.00 0.00 C ATOM 1692 O LYS A 108 -13.181 9.765 -7.077 1.00 0.00 O ATOM 1693 CB LYS A 108 -11.104 8.354 -8.756 1.00 0.00 C ATOM 1694 CG LYS A 108 -9.791 7.828 -9.357 1.00 0.00 C ATOM 1695 CD LYS A 108 -8.760 7.365 -8.327 1.00 0.00 C ATOM 1696 CE LYS A 108 -8.029 8.509 -7.661 1.00 0.00 C ATOM 1697 NZ LYS A 108 -7.254 9.320 -8.639 1.00 0.00 N ATOM 0 H LYS A 108 -10.466 9.310 -6.366 1.00 0.00 H new ATOM 0 HA LYS A 108 -10.674 10.413 -9.072 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -11.358 7.723 -7.904 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -11.890 8.218 -9.499 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -10.019 6.996 -10.023 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -9.347 8.613 -9.969 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -9.260 6.769 -7.564 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -8.035 6.714 -8.815 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -8.747 9.149 -7.148 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -7.354 8.115 -6.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -6.531 9.873 -8.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -6.792 8.689 -9.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -7.896 9.966 -9.141 1.00 0.00 H new ATOM 1711 N SER A 109 -13.085 11.170 -8.806 1.00 0.00 N ATOM 1712 CA SER A 109 -14.380 11.774 -8.524 1.00 0.00 C ATOM 1713 C SER A 109 -15.507 10.751 -8.408 1.00 0.00 C ATOM 1714 O SER A 109 -15.948 10.166 -9.398 1.00 0.00 O ATOM 1715 CB SER A 109 -14.728 12.777 -9.610 1.00 0.00 C ATOM 1716 OG SER A 109 -13.685 13.723 -9.788 1.00 0.00 O ATOM 0 H SER A 109 -12.613 11.547 -9.628 1.00 0.00 H new ATOM 0 HA SER A 109 -14.289 12.267 -7.556 1.00 0.00 H new ATOM 0 HB2 SER A 109 -14.911 12.253 -10.548 1.00 0.00 H new ATOM 0 HB3 SER A 109 -15.651 13.294 -9.349 1.00 0.00 H new ATOM 0 HG SER A 109 -13.934 14.356 -10.494 1.00 0.00 H new ATOM 1722 N GLU A 110 -16.069 10.714 -7.207 1.00 0.00 N ATOM 1723 CA GLU A 110 -17.289 9.968 -6.889 1.00 0.00 C ATOM 1724 C GLU A 110 -17.229 8.503 -7.318 1.00 0.00 C ATOM 1725 O GLU A 110 -18.250 7.915 -7.673 1.00 0.00 O ATOM 1726 CB GLU A 110 -18.490 10.654 -7.534 1.00 0.00 C ATOM 1727 CG GLU A 110 -18.655 12.098 -7.107 1.00 0.00 C ATOM 1728 CD GLU A 110 -19.847 12.758 -7.761 1.00 0.00 C ATOM 1729 OE1 GLU A 110 -20.988 12.309 -7.520 1.00 0.00 O ATOM 1730 OE2 GLU A 110 -19.649 13.720 -8.529 1.00 0.00 O ATOM 0 H GLU A 110 -15.683 11.212 -6.405 1.00 0.00 H new ATOM 0 HA GLU A 110 -17.389 9.968 -5.804 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -18.384 10.613 -8.618 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -19.395 10.102 -7.280 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -18.767 12.144 -6.024 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -17.752 12.654 -7.358 1.00 0.00 H new ATOM 1737 N GLU A 111 -16.068 7.885 -7.181 1.00 0.00 N ATOM 1738 CA GLU A 111 -15.940 6.462 -7.454 1.00 0.00 C ATOM 1739 C GLU A 111 -16.434 5.639 -6.265 1.00 0.00 C ATOM 1740 O GLU A 111 -15.971 5.827 -5.142 1.00 0.00 O ATOM 1741 CB GLU A 111 -14.486 6.128 -7.781 1.00 0.00 C ATOM 1742 CG GLU A 111 -13.998 6.792 -9.060 1.00 0.00 C ATOM 1743 CD GLU A 111 -14.723 6.294 -10.295 1.00 0.00 C ATOM 1744 OE1 GLU A 111 -14.604 5.091 -10.612 1.00 0.00 O ATOM 1745 OE2 GLU A 111 -15.410 7.096 -10.961 1.00 0.00 O ATOM 0 H GLU A 111 -15.205 8.342 -6.884 1.00 0.00 H new ATOM 0 HA GLU A 111 -16.559 6.209 -8.315 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -13.852 6.440 -6.951 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -14.379 5.047 -7.875 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -14.130 7.871 -8.977 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -12.929 6.610 -9.174 1.00 0.00 H new ATOM 1752 N PRO A 112 -17.405 4.739 -6.485 1.00 0.00 N ATOM 1753 CA PRO A 112 -17.965 3.913 -5.427 1.00 0.00 C ATOM 1754 C PRO A 112 -17.130 2.664 -5.159 1.00 0.00 C ATOM 1755 O PRO A 112 -17.134 1.720 -5.954 1.00 0.00 O ATOM 1756 CB PRO A 112 -19.350 3.520 -5.964 1.00 0.00 C ATOM 1757 CG PRO A 112 -19.461 4.141 -7.326 1.00 0.00 C ATOM 1758 CD PRO A 112 -18.059 4.462 -7.759 1.00 0.00 C ATOM 0 HA PRO A 112 -17.997 4.447 -4.477 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -19.453 2.436 -6.020 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -20.140 3.881 -5.306 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -19.937 3.456 -8.028 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -20.074 5.042 -7.294 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -17.593 3.628 -8.284 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -18.025 5.320 -8.430 1.00 0.00 H new ATOM 1766 N ASP A 113 -16.465 2.642 -4.018 1.00 0.00 N ATOM 1767 CA ASP A 113 -15.674 1.484 -3.613 1.00 0.00 C ATOM 1768 C ASP A 113 -16.501 0.509 -2.778 1.00 0.00 C ATOM 1769 O ASP A 113 -17.057 -0.453 -3.300 1.00 0.00 O ATOM 1770 CB ASP A 113 -14.417 1.904 -2.834 1.00 0.00 C ATOM 1771 CG ASP A 113 -13.381 2.622 -3.679 1.00 0.00 C ATOM 1772 OD1 ASP A 113 -13.706 3.670 -4.264 1.00 0.00 O ATOM 1773 OD2 ASP A 113 -12.229 2.143 -3.735 1.00 0.00 O ATOM 0 H ASP A 113 -16.454 3.413 -3.351 1.00 0.00 H new ATOM 0 HA ASP A 113 -15.361 0.980 -4.527 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -14.712 2.553 -2.010 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -13.961 1.017 -2.394 1.00 0.00 H new ATOM 1778 N ALA A 114 -16.427 0.678 -1.461 1.00 0.00 N ATOM 1779 CA ALA A 114 -17.000 -0.273 -0.515 1.00 0.00 C ATOM 1780 C ALA A 114 -18.525 -0.324 -0.547 1.00 0.00 C ATOM 1781 O ALA A 114 -19.111 -1.398 -0.429 1.00 0.00 O ATOM 1782 CB ALA A 114 -16.538 0.070 0.892 1.00 0.00 C ATOM 0 H ALA A 114 -15.969 1.476 -1.021 1.00 0.00 H new ATOM 0 HA ALA A 114 -16.646 -1.260 -0.814 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -16.966 -0.641 1.599 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -15.450 0.019 0.940 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -16.866 1.078 1.147 1.00 0.00 H new ATOM 1788 N GLU A 115 -19.153 0.839 -0.511 1.00 0.00 N ATOM 1789 CA GLU A 115 -20.594 0.915 -0.320 1.00 0.00 C ATOM 1790 C GLU A 115 -21.103 2.271 -0.789 1.00 0.00 C ATOM 1791 O GLU A 115 -20.337 3.249 -0.675 1.00 0.00 O ATOM 1792 CB GLU A 115 -20.914 0.730 1.173 1.00 0.00 C ATOM 1793 CG GLU A 115 -22.398 0.714 1.511 1.00 0.00 C ATOM 1794 CD GLU A 115 -23.110 -0.541 1.051 1.00 0.00 C ATOM 1795 OE1 GLU A 115 -22.440 -1.478 0.577 1.00 0.00 O ATOM 1796 OE2 GLU A 115 -24.346 -0.615 1.211 1.00 0.00 O ATOM 1797 OXT GLU A 115 -22.257 2.357 -1.253 1.00 0.00 O ATOM 0 H GLU A 115 -18.690 1.742 -0.611 1.00 0.00 H new ATOM 0 HA GLU A 115 -21.082 0.132 -0.900 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -20.468 -0.205 1.512 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -20.437 1.533 1.735 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -22.518 0.815 2.590 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -22.876 1.581 1.055 1.00 0.00 H new TER 1804 GLU A 115