USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 722 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 Single : A 1 GLY N :NH3+ -133:sc= 0.0394 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 46:sc= 0.653 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -10:sc= 0.847 USER MOD Single : A 10 SER OG : rot 15:sc= 0.78 USER MOD Single : A 11 GLN : amide:sc= -0.236 K(o=-0.24,f=-1.6!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.0293 K(o=-0.029,f=-0.89) USER MOD Single : A 21 MET CE :methyl 176:sc= 0 (180deg=-0.0246) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0555 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0.0422 USER MOD Single : A 43 MET CE :methyl -174:sc= -0.516 (180deg=-0.583) USER MOD Single : A 45 MET CE :methyl 154:sc= -0.0568 (180deg=-1.83) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HE2:sc= -2.68! C(o=-2.7!,f=-5.9!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -117:sc= -1.43! USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.429 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -156:sc= 0.492 (180deg=0.0929) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc=-0.00717 X(o=-0.0072,f=0) USER MOD Single : A 74 ASN : amide:sc= -0.16 K(o=-0.16,f=-1.5) USER MOD Single : A 76 HIS : no HD1:sc= -2.6! C(o=-2.6!,f=-3.6!) USER MOD Single : A 77 THR OG1 : rot -131:sc= 0.864 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc=-0.00413 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc=-0.00817 USER MOD Single : A 98 SER OG : rot 180:sc= 0.0796 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.226 14.432 29.853 1.00 0.00 N ATOM 2 CA GLY A 1 1.994 13.271 29.012 1.00 0.00 C ATOM 3 C GLY A 1 3.281 12.840 28.305 1.00 0.00 C ATOM 4 O GLY A 1 4.377 13.042 28.825 1.00 0.00 O ATOM 0 H1 GLY A 1 1.797 14.275 30.787 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.249 14.582 29.963 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.798 15.271 29.412 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.615 12.448 29.618 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.228 13.501 28.272 1.00 0.00 H new ATOM 8 N SER A 2 3.105 12.254 27.129 1.00 0.00 N ATOM 9 CA SER A 2 4.239 11.793 26.346 1.00 0.00 C ATOM 10 C SER A 2 3.899 11.843 24.855 1.00 0.00 C ATOM 11 O SER A 2 2.729 11.789 24.479 1.00 0.00 O ATOM 12 CB SER A 2 4.647 10.375 26.750 1.00 0.00 C ATOM 13 OG SER A 2 3.560 9.459 26.658 1.00 0.00 O ATOM 0 H SER A 2 2.195 12.088 26.700 1.00 0.00 H new ATOM 0 HA SER A 2 5.083 12.454 26.543 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.462 10.036 26.110 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.027 10.385 27.771 1.00 0.00 H new ATOM 0 HG SER A 2 3.862 8.565 26.923 1.00 0.00 H new ATOM 19 N SER A 3 4.943 11.944 24.046 1.00 0.00 N ATOM 20 CA SER A 3 4.770 12.002 22.604 1.00 0.00 C ATOM 21 C SER A 3 6.105 11.737 21.906 1.00 0.00 C ATOM 22 O SER A 3 7.116 12.354 22.237 1.00 0.00 O ATOM 23 CB SER A 3 4.203 13.355 22.171 1.00 0.00 C ATOM 24 OG SER A 3 3.240 13.222 21.130 1.00 0.00 O ATOM 0 H SER A 3 5.912 11.987 24.361 1.00 0.00 H new ATOM 0 HA SER A 3 4.057 11.231 22.314 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.744 13.847 23.029 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.016 13.997 21.833 1.00 0.00 H new ATOM 0 HG SER A 3 2.901 14.108 20.883 1.00 0.00 H new ATOM 30 N GLY A 4 6.066 10.818 20.952 1.00 0.00 N ATOM 31 CA GLY A 4 7.260 10.464 20.204 1.00 0.00 C ATOM 32 C GLY A 4 7.063 10.709 18.707 1.00 0.00 C ATOM 33 O GLY A 4 6.922 9.764 17.933 1.00 0.00 O ATOM 0 H GLY A 4 5.226 10.308 20.680 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.106 11.050 20.564 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.503 9.415 20.375 1.00 0.00 H new ATOM 37 N SER A 5 7.058 11.984 18.344 1.00 0.00 N ATOM 38 CA SER A 5 6.880 12.366 16.954 1.00 0.00 C ATOM 39 C SER A 5 7.015 13.882 16.806 1.00 0.00 C ATOM 40 O SER A 5 6.020 14.604 16.842 1.00 0.00 O ATOM 41 CB SER A 5 5.522 11.900 16.424 1.00 0.00 C ATOM 42 OG SER A 5 4.442 12.426 17.190 1.00 0.00 O ATOM 0 H SER A 5 7.174 12.765 18.989 1.00 0.00 H new ATOM 0 HA SER A 5 7.657 11.879 16.364 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.413 12.208 15.384 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.481 10.811 16.439 1.00 0.00 H new ATOM 0 HG SER A 5 4.584 13.384 17.341 1.00 0.00 H new ATOM 48 N SER A 6 8.255 14.321 16.643 1.00 0.00 N ATOM 49 CA SER A 6 8.533 15.739 16.490 1.00 0.00 C ATOM 50 C SER A 6 9.928 15.937 15.893 1.00 0.00 C ATOM 51 O SER A 6 10.722 14.999 15.838 1.00 0.00 O ATOM 52 CB SER A 6 8.421 16.470 17.829 1.00 0.00 C ATOM 53 OG SER A 6 9.458 16.095 18.731 1.00 0.00 O ATOM 0 H SER A 6 9.078 13.719 16.614 1.00 0.00 H new ATOM 0 HA SER A 6 7.791 16.162 15.813 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.460 17.546 17.659 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.453 16.254 18.280 1.00 0.00 H new ATOM 0 HG SER A 6 9.352 16.585 19.573 1.00 0.00 H new ATOM 59 N GLY A 7 10.183 17.163 15.460 1.00 0.00 N ATOM 60 CA GLY A 7 11.468 17.495 14.869 1.00 0.00 C ATOM 61 C GLY A 7 11.292 18.409 13.654 1.00 0.00 C ATOM 62 O GLY A 7 10.814 17.971 12.609 1.00 0.00 O ATOM 0 H GLY A 7 9.522 17.938 15.507 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.097 17.987 15.611 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.982 16.581 14.570 1.00 0.00 H new ATOM 66 N VAL A 8 11.689 19.660 13.833 1.00 0.00 N ATOM 67 CA VAL A 8 11.581 20.639 12.764 1.00 0.00 C ATOM 68 C VAL A 8 12.841 20.582 11.897 1.00 0.00 C ATOM 69 O VAL A 8 13.788 21.334 12.122 1.00 0.00 O ATOM 70 CB VAL A 8 11.321 22.028 13.350 1.00 0.00 C ATOM 71 CG1 VAL A 8 11.409 23.105 12.268 1.00 0.00 C ATOM 72 CG2 VAL A 8 9.969 22.077 14.064 1.00 0.00 C ATOM 0 H VAL A 8 12.086 20.018 14.702 1.00 0.00 H new ATOM 0 HA VAL A 8 10.732 20.409 12.120 1.00 0.00 H new ATOM 0 HB VAL A 8 12.097 22.231 14.088 1.00 0.00 H new ATOM 0 HG11 VAL A 8 11.220 24.083 12.712 1.00 0.00 H new ATOM 0 HG12 VAL A 8 12.404 23.094 11.824 1.00 0.00 H new ATOM 0 HG13 VAL A 8 10.665 22.907 11.496 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.809 23.075 14.471 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.175 21.842 13.355 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.959 21.348 14.875 1.00 0.00 H new ATOM 82 N SER A 9 12.812 19.682 10.925 1.00 0.00 N ATOM 83 CA SER A 9 13.939 19.517 10.024 1.00 0.00 C ATOM 84 C SER A 9 13.480 18.843 8.729 1.00 0.00 C ATOM 85 O SER A 9 12.425 18.213 8.694 1.00 0.00 O ATOM 86 CB SER A 9 15.054 18.701 10.681 1.00 0.00 C ATOM 87 OG SER A 9 15.592 19.356 11.826 1.00 0.00 O ATOM 0 H SER A 9 12.025 19.059 10.742 1.00 0.00 H new ATOM 0 HA SER A 9 14.337 20.504 9.790 1.00 0.00 H new ATOM 0 HB2 SER A 9 14.666 17.725 10.971 1.00 0.00 H new ATOM 0 HB3 SER A 9 15.849 18.525 9.957 1.00 0.00 H new ATOM 0 HG SER A 9 15.254 20.275 11.866 1.00 0.00 H new ATOM 93 N SER A 10 14.296 18.999 7.697 1.00 0.00 N ATOM 94 CA SER A 10 13.987 18.414 6.404 1.00 0.00 C ATOM 95 C SER A 10 14.758 17.104 6.225 1.00 0.00 C ATOM 96 O SER A 10 15.987 17.091 6.270 1.00 0.00 O ATOM 97 CB SER A 10 14.317 19.383 5.267 1.00 0.00 C ATOM 98 OG SER A 10 15.721 19.487 5.045 1.00 0.00 O ATOM 0 H SER A 10 15.171 19.522 7.730 1.00 0.00 H new ATOM 0 HA SER A 10 12.917 18.207 6.369 1.00 0.00 H new ATOM 0 HB2 SER A 10 13.829 19.048 4.352 1.00 0.00 H new ATOM 0 HB3 SER A 10 13.913 20.368 5.501 1.00 0.00 H new ATOM 0 HG SER A 10 16.179 18.744 5.492 1.00 0.00 H new ATOM 104 N GLN A 11 14.003 16.033 6.025 1.00 0.00 N ATOM 105 CA GLN A 11 14.600 14.721 5.839 1.00 0.00 C ATOM 106 C GLN A 11 13.630 13.797 5.100 1.00 0.00 C ATOM 107 O GLN A 11 12.871 13.059 5.727 1.00 0.00 O ATOM 108 CB GLN A 11 15.021 14.116 7.179 1.00 0.00 C ATOM 109 CG GLN A 11 16.502 13.730 7.165 1.00 0.00 C ATOM 110 CD GLN A 11 16.703 12.308 7.693 1.00 0.00 C ATOM 111 OE1 GLN A 11 15.834 11.455 7.601 1.00 0.00 O ATOM 112 NE2 GLN A 11 17.893 12.100 8.249 1.00 0.00 N ATOM 0 H GLN A 11 12.984 16.047 5.988 1.00 0.00 H new ATOM 0 HA GLN A 11 15.498 14.834 5.231 1.00 0.00 H new ATOM 0 HB2 GLN A 11 14.836 14.832 7.980 1.00 0.00 H new ATOM 0 HB3 GLN A 11 14.414 13.236 7.392 1.00 0.00 H new ATOM 0 HG2 GLN A 11 16.891 13.803 6.149 1.00 0.00 H new ATOM 0 HG3 GLN A 11 17.070 14.432 7.775 1.00 0.00 H new ATOM 0 HE21 GLN A 11 18.575 12.858 8.293 1.00 0.00 H new ATOM 0 HE22 GLN A 11 18.124 11.183 8.631 1.00 0.00 H new ATOM 121 N GLU A 12 13.686 13.868 3.778 1.00 0.00 N ATOM 122 CA GLU A 12 12.821 13.047 2.948 1.00 0.00 C ATOM 123 C GLU A 12 11.365 13.493 3.093 1.00 0.00 C ATOM 124 O GLU A 12 10.945 13.911 4.170 1.00 0.00 O ATOM 125 CB GLU A 12 12.977 11.564 3.293 1.00 0.00 C ATOM 126 CG GLU A 12 13.036 10.710 2.025 1.00 0.00 C ATOM 127 CD GLU A 12 11.763 9.877 1.865 1.00 0.00 C ATOM 128 OE1 GLU A 12 11.720 8.783 2.468 1.00 0.00 O ATOM 129 OE2 GLU A 12 10.860 10.353 1.143 1.00 0.00 O ATOM 0 H GLU A 12 14.317 14.481 3.261 1.00 0.00 H new ATOM 0 HA GLU A 12 13.118 13.178 1.908 1.00 0.00 H new ATOM 0 HB2 GLU A 12 13.885 11.416 3.878 1.00 0.00 H new ATOM 0 HB3 GLU A 12 12.142 11.242 3.914 1.00 0.00 H new ATOM 0 HG2 GLU A 12 13.166 11.353 1.155 1.00 0.00 H new ATOM 0 HG3 GLU A 12 13.903 10.051 2.066 1.00 0.00 H new ATOM 136 N THR A 13 10.636 13.390 1.991 1.00 0.00 N ATOM 137 CA THR A 13 9.235 13.778 1.982 1.00 0.00 C ATOM 138 C THR A 13 8.345 12.556 1.750 1.00 0.00 C ATOM 139 O THR A 13 8.564 11.793 0.811 1.00 0.00 O ATOM 140 CB THR A 13 9.055 14.871 0.927 1.00 0.00 C ATOM 141 OG1 THR A 13 9.673 16.017 1.505 1.00 0.00 O ATOM 142 CG2 THR A 13 7.591 15.284 0.756 1.00 0.00 C ATOM 0 H THR A 13 10.989 13.044 1.099 1.00 0.00 H new ATOM 0 HA THR A 13 8.930 14.184 2.947 1.00 0.00 H new ATOM 0 HB THR A 13 9.448 14.522 -0.028 1.00 0.00 H new ATOM 0 HG1 THR A 13 9.604 16.773 0.886 1.00 0.00 H new ATOM 0 HG21 THR A 13 7.519 16.062 -0.004 1.00 0.00 H new ATOM 0 HG22 THR A 13 7.003 14.420 0.448 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.207 15.665 1.703 1.00 0.00 H new ATOM 150 N GLN A 14 7.358 12.408 2.622 1.00 0.00 N ATOM 151 CA GLN A 14 6.433 11.292 2.523 1.00 0.00 C ATOM 152 C GLN A 14 5.217 11.529 3.422 1.00 0.00 C ATOM 153 O GLN A 14 5.303 12.259 4.408 1.00 0.00 O ATOM 154 CB GLN A 14 7.125 9.974 2.874 1.00 0.00 C ATOM 155 CG GLN A 14 7.349 9.857 4.383 1.00 0.00 C ATOM 156 CD GLN A 14 8.839 9.727 4.708 1.00 0.00 C ATOM 157 OE1 GLN A 14 9.647 10.585 4.394 1.00 0.00 O ATOM 158 NE2 GLN A 14 9.156 8.607 5.352 1.00 0.00 N ATOM 0 H GLN A 14 7.179 13.043 3.400 1.00 0.00 H new ATOM 0 HA GLN A 14 6.089 11.221 1.491 1.00 0.00 H new ATOM 0 HB2 GLN A 14 6.519 9.137 2.527 1.00 0.00 H new ATOM 0 HB3 GLN A 14 8.081 9.912 2.355 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.939 10.734 4.884 1.00 0.00 H new ATOM 0 HG3 GLN A 14 6.812 8.990 4.768 1.00 0.00 H new ATOM 0 HE21 GLN A 14 8.430 7.930 5.585 1.00 0.00 H new ATOM 0 HE22 GLN A 14 10.125 8.426 5.613 1.00 0.00 H new ATOM 167 N GLY A 15 4.114 10.899 3.048 1.00 0.00 N ATOM 168 CA GLY A 15 2.882 11.032 3.808 1.00 0.00 C ATOM 169 C GLY A 15 2.166 9.686 3.931 1.00 0.00 C ATOM 170 O GLY A 15 2.048 9.139 5.027 1.00 0.00 O ATOM 0 H GLY A 15 4.047 10.295 2.229 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.104 11.422 4.801 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.226 11.754 3.321 1.00 0.00 H new ATOM 174 N GLY A 16 1.706 9.189 2.792 1.00 0.00 N ATOM 175 CA GLY A 16 1.004 7.917 2.759 1.00 0.00 C ATOM 176 C GLY A 16 1.925 6.772 3.187 1.00 0.00 C ATOM 177 O GLY A 16 3.139 6.946 3.271 1.00 0.00 O ATOM 0 H GLY A 16 1.806 9.644 1.885 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.138 7.958 3.419 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.629 7.730 1.753 1.00 0.00 H new ATOM 181 N PRO A 17 1.294 5.597 3.453 1.00 0.00 N ATOM 182 CA PRO A 17 2.043 4.424 3.870 1.00 0.00 C ATOM 183 C PRO A 17 2.785 3.798 2.687 1.00 0.00 C ATOM 184 O PRO A 17 2.265 3.760 1.573 1.00 0.00 O ATOM 185 CB PRO A 17 1.008 3.493 4.481 1.00 0.00 C ATOM 186 CG PRO A 17 -0.339 3.974 3.967 1.00 0.00 C ATOM 187 CD PRO A 17 -0.143 5.355 3.364 1.00 0.00 C ATOM 0 HA PRO A 17 2.824 4.659 4.593 1.00 0.00 H new ATOM 0 HB2 PRO A 17 1.191 2.459 4.188 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.046 3.528 5.570 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.731 3.284 3.220 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -1.066 4.012 4.779 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.487 5.388 2.330 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.707 6.110 3.912 1.00 0.00 H new ATOM 195 N LEU A 18 3.989 3.323 2.970 1.00 0.00 N ATOM 196 CA LEU A 18 4.808 2.701 1.943 1.00 0.00 C ATOM 197 C LEU A 18 4.895 1.197 2.208 1.00 0.00 C ATOM 198 O LEU A 18 5.287 0.776 3.296 1.00 0.00 O ATOM 199 CB LEU A 18 6.171 3.390 1.855 1.00 0.00 C ATOM 200 CG LEU A 18 6.165 4.823 1.320 1.00 0.00 C ATOM 201 CD1 LEU A 18 7.585 5.391 1.256 1.00 0.00 C ATOM 202 CD2 LEU A 18 5.455 4.901 -0.033 1.00 0.00 C ATOM 0 H LEU A 18 4.417 3.356 3.895 1.00 0.00 H new ATOM 0 HA LEU A 18 4.350 2.826 0.962 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.617 3.396 2.849 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.820 2.788 1.218 1.00 0.00 H new ATOM 0 HG LEU A 18 5.601 5.444 2.016 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.552 6.411 0.872 1.00 0.00 H new ATOM 0 HD12 LEU A 18 8.021 5.393 2.255 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.194 4.774 0.595 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.465 5.931 -0.390 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.969 4.263 -0.751 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.424 4.565 0.077 1.00 0.00 H new ATOM 214 N ALA A 19 4.524 0.427 1.195 1.00 0.00 N ATOM 215 CA ALA A 19 4.555 -1.021 1.306 1.00 0.00 C ATOM 216 C ALA A 19 5.838 -1.446 2.023 1.00 0.00 C ATOM 217 O ALA A 19 6.933 -1.045 1.634 1.00 0.00 O ATOM 218 CB ALA A 19 4.434 -1.642 -0.088 1.00 0.00 C ATOM 0 H ALA A 19 4.201 0.779 0.294 1.00 0.00 H new ATOM 0 HA ALA A 19 3.712 -1.379 1.898 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.457 -2.729 -0.006 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.493 -1.333 -0.544 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.265 -1.307 -0.709 1.00 0.00 H new ATOM 224 N PRO A 20 5.654 -2.275 3.086 1.00 0.00 N ATOM 225 CA PRO A 20 6.784 -2.759 3.862 1.00 0.00 C ATOM 226 C PRO A 20 7.545 -3.846 3.102 1.00 0.00 C ATOM 227 O PRO A 20 8.685 -4.163 3.439 1.00 0.00 O ATOM 228 CB PRO A 20 6.181 -3.256 5.166 1.00 0.00 C ATOM 229 CG PRO A 20 4.701 -3.462 4.889 1.00 0.00 C ATOM 230 CD PRO A 20 4.371 -2.771 3.576 1.00 0.00 C ATOM 0 HA PRO A 20 7.527 -1.985 4.052 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.652 -4.186 5.485 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.331 -2.532 5.967 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.468 -4.525 4.830 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.100 -3.049 5.699 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.917 -3.464 2.867 1.00 0.00 H new ATOM 0 HD3 PRO A 20 3.662 -1.957 3.724 1.00 0.00 H new ATOM 238 N MET A 21 6.885 -4.389 2.089 1.00 0.00 N ATOM 239 CA MET A 21 7.485 -5.434 1.278 1.00 0.00 C ATOM 240 C MET A 21 6.678 -5.668 -0.001 1.00 0.00 C ATOM 241 O MET A 21 5.530 -5.239 -0.101 1.00 0.00 O ATOM 242 CB MET A 21 7.550 -6.733 2.085 1.00 0.00 C ATOM 243 CG MET A 21 6.224 -7.001 2.800 1.00 0.00 C ATOM 244 SD MET A 21 6.452 -8.240 4.065 1.00 0.00 S ATOM 245 CE MET A 21 6.232 -7.236 5.525 1.00 0.00 C ATOM 0 H MET A 21 5.940 -4.124 1.812 1.00 0.00 H new ATOM 0 HA MET A 21 8.490 -5.118 0.998 1.00 0.00 H new ATOM 0 HB2 MET A 21 7.785 -7.566 1.422 1.00 0.00 H new ATOM 0 HB3 MET A 21 8.356 -6.671 2.816 1.00 0.00 H new ATOM 0 HG2 MET A 21 5.849 -6.080 3.245 1.00 0.00 H new ATOM 0 HG3 MET A 21 5.475 -7.336 2.082 1.00 0.00 H new ATOM 0 HE1 MET A 21 6.272 -7.869 6.411 1.00 0.00 H new ATOM 0 HE2 MET A 21 7.025 -6.490 5.576 1.00 0.00 H new ATOM 0 HE3 MET A 21 5.265 -6.736 5.480 1.00 0.00 H new ATOM 255 N THR A 22 7.311 -6.347 -0.946 1.00 0.00 N ATOM 256 CA THR A 22 6.667 -6.642 -2.214 1.00 0.00 C ATOM 257 C THR A 22 5.642 -7.765 -2.043 1.00 0.00 C ATOM 258 O THR A 22 6.007 -8.908 -1.775 1.00 0.00 O ATOM 259 CB THR A 22 7.759 -6.968 -3.235 1.00 0.00 C ATOM 260 OG1 THR A 22 8.488 -5.750 -3.364 1.00 0.00 O ATOM 261 CG2 THR A 22 7.196 -7.216 -4.636 1.00 0.00 C ATOM 0 H THR A 22 8.263 -6.701 -0.859 1.00 0.00 H new ATOM 0 HA THR A 22 6.105 -5.783 -2.581 1.00 0.00 H new ATOM 0 HB THR A 22 8.313 -7.847 -2.906 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.218 -5.872 -4.007 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.013 -7.443 -5.321 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.503 -8.057 -4.606 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.671 -6.325 -4.980 1.00 0.00 H new ATOM 269 N GLY A 23 4.379 -7.399 -2.204 1.00 0.00 N ATOM 270 CA GLY A 23 3.298 -8.361 -2.070 1.00 0.00 C ATOM 271 C GLY A 23 2.093 -7.954 -2.922 1.00 0.00 C ATOM 272 O GLY A 23 2.178 -7.019 -3.716 1.00 0.00 O ATOM 0 H GLY A 23 4.080 -6.449 -2.426 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.646 -9.349 -2.373 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.000 -8.435 -1.024 1.00 0.00 H new ATOM 276 N THR A 24 1.000 -8.676 -2.726 1.00 0.00 N ATOM 277 CA THR A 24 -0.220 -8.402 -3.466 1.00 0.00 C ATOM 278 C THR A 24 -1.334 -7.962 -2.513 1.00 0.00 C ATOM 279 O THR A 24 -1.356 -8.363 -1.351 1.00 0.00 O ATOM 280 CB THR A 24 -0.573 -9.651 -4.276 1.00 0.00 C ATOM 281 OG1 THR A 24 0.409 -9.683 -5.308 1.00 0.00 O ATOM 282 CG2 THR A 24 -1.898 -9.507 -5.027 1.00 0.00 C ATOM 0 H THR A 24 0.934 -9.450 -2.065 1.00 0.00 H new ATOM 0 HA THR A 24 -0.083 -7.574 -4.161 1.00 0.00 H new ATOM 0 HB THR A 24 -0.625 -10.513 -3.611 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.256 -10.464 -5.881 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.101 -10.421 -5.585 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.703 -9.331 -4.314 1.00 0.00 H new ATOM 0 HG23 THR A 24 -1.835 -8.666 -5.718 1.00 0.00 H new ATOM 290 N ILE A 25 -2.231 -7.142 -3.041 1.00 0.00 N ATOM 291 CA ILE A 25 -3.344 -6.642 -2.253 1.00 0.00 C ATOM 292 C ILE A 25 -4.440 -7.709 -2.193 1.00 0.00 C ATOM 293 O ILE A 25 -4.863 -8.228 -3.224 1.00 0.00 O ATOM 294 CB ILE A 25 -3.826 -5.296 -2.798 1.00 0.00 C ATOM 295 CG1 ILE A 25 -2.643 -4.404 -3.178 1.00 0.00 C ATOM 296 CG2 ILE A 25 -4.767 -4.609 -1.807 1.00 0.00 C ATOM 297 CD1 ILE A 25 -1.741 -4.145 -1.970 1.00 0.00 C ATOM 0 H ILE A 25 -2.209 -6.811 -4.006 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.028 -6.449 -1.228 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.396 -5.480 -3.709 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.066 -4.878 -3.972 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.010 -3.456 -3.572 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -5.095 -3.654 -2.219 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -5.634 -5.245 -1.629 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.243 -4.438 -0.867 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.908 -3.508 -2.268 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.315 -3.649 -1.187 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.357 -5.093 -1.593 1.00 0.00 H new ATOM 309 N GLU A 26 -4.867 -8.004 -0.974 1.00 0.00 N ATOM 310 CA GLU A 26 -5.905 -9.000 -0.766 1.00 0.00 C ATOM 311 C GLU A 26 -7.220 -8.322 -0.374 1.00 0.00 C ATOM 312 O GLU A 26 -8.281 -8.675 -0.886 1.00 0.00 O ATOM 313 CB GLU A 26 -5.480 -10.022 0.290 1.00 0.00 C ATOM 314 CG GLU A 26 -6.404 -11.242 0.275 1.00 0.00 C ATOM 315 CD GLU A 26 -6.133 -12.120 -0.949 1.00 0.00 C ATOM 316 OE1 GLU A 26 -6.621 -11.744 -2.036 1.00 0.00 O ATOM 317 OE2 GLU A 26 -5.444 -13.147 -0.769 1.00 0.00 O ATOM 0 H GLU A 26 -4.514 -7.571 -0.121 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.060 -9.536 -1.702 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.453 -10.337 0.104 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.498 -9.560 1.277 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.258 -11.825 1.185 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.444 -10.915 0.270 1.00 0.00 H new ATOM 324 N LYS A 27 -7.106 -7.360 0.531 1.00 0.00 N ATOM 325 CA LYS A 27 -8.272 -6.630 0.997 1.00 0.00 C ATOM 326 C LYS A 27 -7.927 -5.143 1.107 1.00 0.00 C ATOM 327 O LYS A 27 -6.793 -4.787 1.422 1.00 0.00 O ATOM 328 CB LYS A 27 -8.800 -7.237 2.299 1.00 0.00 C ATOM 329 CG LYS A 27 -9.735 -8.414 2.015 1.00 0.00 C ATOM 330 CD LYS A 27 -11.191 -7.949 1.930 1.00 0.00 C ATOM 331 CE LYS A 27 -11.583 -7.640 0.484 1.00 0.00 C ATOM 332 NZ LYS A 27 -13.054 -7.689 0.324 1.00 0.00 N ATOM 0 H LYS A 27 -6.224 -7.070 0.953 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.087 -6.716 0.279 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.964 -7.572 2.914 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.331 -6.476 2.870 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.448 -8.894 1.080 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.634 -9.162 2.801 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.847 -8.721 2.332 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.330 -7.061 2.546 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.213 -6.654 0.204 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.114 -8.359 -0.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.303 -7.477 -0.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.399 -8.638 0.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.495 -6.986 0.951 1.00 0.00 H new ATOM 346 N VAL A 28 -8.927 -4.316 0.841 1.00 0.00 N ATOM 347 CA VAL A 28 -8.744 -2.876 0.906 1.00 0.00 C ATOM 348 C VAL A 28 -9.868 -2.260 1.741 1.00 0.00 C ATOM 349 O VAL A 28 -10.965 -2.026 1.236 1.00 0.00 O ATOM 350 CB VAL A 28 -8.662 -2.294 -0.507 1.00 0.00 C ATOM 351 CG1 VAL A 28 -8.825 -0.773 -0.484 1.00 0.00 C ATOM 352 CG2 VAL A 28 -7.352 -2.695 -1.189 1.00 0.00 C ATOM 0 H VAL A 28 -9.867 -4.615 0.580 1.00 0.00 H new ATOM 0 HA VAL A 28 -7.802 -2.633 1.399 1.00 0.00 H new ATOM 0 HB VAL A 28 -9.484 -2.710 -1.089 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.763 -0.385 -1.501 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.795 -0.517 -0.057 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.034 -0.331 0.122 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.318 -2.269 -2.192 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.510 -2.321 -0.607 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.294 -3.781 -1.254 1.00 0.00 H new ATOM 362 N PHE A 29 -9.556 -2.015 3.005 1.00 0.00 N ATOM 363 CA PHE A 29 -10.527 -1.431 3.916 1.00 0.00 C ATOM 364 C PHE A 29 -10.360 0.088 3.994 1.00 0.00 C ATOM 365 O PHE A 29 -10.295 0.654 5.084 1.00 0.00 O ATOM 366 CB PHE A 29 -10.263 -2.032 5.297 1.00 0.00 C ATOM 367 CG PHE A 29 -10.246 -3.562 5.317 1.00 0.00 C ATOM 368 CD1 PHE A 29 -11.285 -4.260 4.785 1.00 0.00 C ATOM 369 CD2 PHE A 29 -9.192 -4.224 5.866 1.00 0.00 C ATOM 370 CE1 PHE A 29 -11.270 -5.680 4.803 1.00 0.00 C ATOM 371 CE2 PHE A 29 -9.177 -5.644 5.884 1.00 0.00 C ATOM 372 CZ PHE A 29 -10.216 -6.342 5.352 1.00 0.00 C ATOM 0 H PHE A 29 -8.645 -2.210 3.420 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.538 -1.642 3.567 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -9.306 -1.663 5.665 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -11.028 -1.678 5.988 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -12.122 -3.734 4.349 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -8.367 -3.670 6.288 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -12.095 -6.234 4.381 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.340 -6.170 6.320 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.204 -7.422 5.365 1.00 0.00 H new ATOM 382 N VAL A 30 -10.295 0.706 2.823 1.00 0.00 N ATOM 383 CA VAL A 30 -10.138 2.148 2.745 1.00 0.00 C ATOM 384 C VAL A 30 -10.839 2.666 1.488 1.00 0.00 C ATOM 385 O VAL A 30 -11.586 1.932 0.843 1.00 0.00 O ATOM 386 CB VAL A 30 -8.653 2.515 2.797 1.00 0.00 C ATOM 387 CG1 VAL A 30 -8.038 2.126 4.142 1.00 0.00 C ATOM 388 CG2 VAL A 30 -7.889 1.872 1.638 1.00 0.00 C ATOM 0 H VAL A 30 -10.348 0.234 1.921 1.00 0.00 H new ATOM 0 HA VAL A 30 -10.609 2.631 3.601 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.572 3.597 2.693 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.983 2.398 4.152 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.556 2.652 4.944 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.137 1.051 4.290 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.836 2.149 1.698 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.983 0.788 1.697 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.302 2.221 0.692 1.00 0.00 H new ATOM 398 N LYS A 31 -10.574 3.927 1.179 1.00 0.00 N ATOM 399 CA LYS A 31 -11.170 4.552 0.010 1.00 0.00 C ATOM 400 C LYS A 31 -10.741 6.019 -0.053 1.00 0.00 C ATOM 401 O LYS A 31 -9.859 6.444 0.692 1.00 0.00 O ATOM 402 CB LYS A 31 -12.688 4.355 0.013 1.00 0.00 C ATOM 403 CG LYS A 31 -13.285 4.722 1.373 1.00 0.00 C ATOM 404 CD LYS A 31 -14.187 5.953 1.262 1.00 0.00 C ATOM 405 CE LYS A 31 -15.536 5.589 0.638 1.00 0.00 C ATOM 406 NZ LYS A 31 -16.503 5.196 1.686 1.00 0.00 N ATOM 0 H LYS A 31 -9.955 4.533 1.718 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.811 4.075 -0.902 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -13.140 4.971 -0.765 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -12.924 3.318 -0.224 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -13.859 3.880 1.761 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -12.483 4.917 2.085 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -14.344 6.384 2.251 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.696 6.715 0.657 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -15.925 6.439 0.077 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -15.407 4.771 -0.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -17.413 4.952 1.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -16.137 4.372 2.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -16.640 5.987 2.347 1.00 0.00 H new ATOM 420 N ALA A 32 -11.383 6.752 -0.950 1.00 0.00 N ATOM 421 CA ALA A 32 -11.078 8.163 -1.121 1.00 0.00 C ATOM 422 C ALA A 32 -12.080 8.997 -0.319 1.00 0.00 C ATOM 423 O ALA A 32 -13.261 8.661 -0.254 1.00 0.00 O ATOM 424 CB ALA A 32 -11.090 8.511 -2.610 1.00 0.00 C ATOM 0 H ALA A 32 -12.113 6.396 -1.567 1.00 0.00 H new ATOM 0 HA ALA A 32 -10.082 8.389 -0.742 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -10.861 9.569 -2.738 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -10.342 7.912 -3.130 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -12.076 8.300 -3.025 1.00 0.00 H new ATOM 430 N GLY A 33 -11.571 10.069 0.270 1.00 0.00 N ATOM 431 CA GLY A 33 -12.406 10.953 1.065 1.00 0.00 C ATOM 432 C GLY A 33 -12.909 10.247 2.325 1.00 0.00 C ATOM 433 O GLY A 33 -13.936 10.627 2.885 1.00 0.00 O ATOM 0 H GLY A 33 -10.591 10.345 0.213 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.839 11.841 1.344 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -13.255 11.290 0.470 1.00 0.00 H new ATOM 437 N ASP A 34 -12.162 9.232 2.735 1.00 0.00 N ATOM 438 CA ASP A 34 -12.520 8.469 3.918 1.00 0.00 C ATOM 439 C ASP A 34 -11.721 8.990 5.115 1.00 0.00 C ATOM 440 O ASP A 34 -10.821 9.813 4.955 1.00 0.00 O ATOM 441 CB ASP A 34 -12.190 6.986 3.739 1.00 0.00 C ATOM 442 CG ASP A 34 -13.217 6.019 4.329 1.00 0.00 C ATOM 443 OD1 ASP A 34 -14.335 6.492 4.630 1.00 0.00 O ATOM 444 OD2 ASP A 34 -12.863 4.828 4.467 1.00 0.00 O ATOM 0 H ASP A 34 -11.310 8.921 2.268 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.592 8.582 4.081 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -12.088 6.778 2.674 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.221 6.787 4.197 1.00 0.00 H new ATOM 449 N LYS A 35 -12.079 8.488 6.288 1.00 0.00 N ATOM 450 CA LYS A 35 -11.407 8.891 7.512 1.00 0.00 C ATOM 451 C LYS A 35 -10.910 7.647 8.250 1.00 0.00 C ATOM 452 O LYS A 35 -11.645 6.671 8.393 1.00 0.00 O ATOM 453 CB LYS A 35 -12.320 9.783 8.355 1.00 0.00 C ATOM 454 CG LYS A 35 -12.708 11.050 7.591 1.00 0.00 C ATOM 455 CD LYS A 35 -14.181 11.015 7.181 1.00 0.00 C ATOM 456 CE LYS A 35 -14.686 12.415 6.827 1.00 0.00 C ATOM 457 NZ LYS A 35 -15.944 12.332 6.052 1.00 0.00 N ATOM 0 H LYS A 35 -12.826 7.806 6.417 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.530 9.497 7.283 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -13.219 9.231 8.631 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.814 10.054 9.282 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -12.521 11.925 8.213 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -12.082 11.150 6.704 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -14.308 10.352 6.325 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -14.779 10.604 7.995 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -14.851 12.990 7.738 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -13.930 12.945 6.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -16.273 13.291 5.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -15.776 11.802 5.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -16.668 11.845 6.617 1.00 0.00 H new ATOM 471 N VAL A 36 -9.666 7.721 8.698 1.00 0.00 N ATOM 472 CA VAL A 36 -9.062 6.613 9.418 1.00 0.00 C ATOM 473 C VAL A 36 -8.378 7.142 10.680 1.00 0.00 C ATOM 474 O VAL A 36 -8.384 8.346 10.936 1.00 0.00 O ATOM 475 CB VAL A 36 -8.108 5.849 8.497 1.00 0.00 C ATOM 476 CG1 VAL A 36 -8.884 5.018 7.472 1.00 0.00 C ATOM 477 CG2 VAL A 36 -7.132 6.802 7.805 1.00 0.00 C ATOM 0 H VAL A 36 -9.059 8.532 8.576 1.00 0.00 H new ATOM 0 HA VAL A 36 -9.825 5.903 9.736 1.00 0.00 H new ATOM 0 HB VAL A 36 -7.526 5.163 9.113 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -8.183 4.485 6.830 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -9.519 4.300 7.991 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -9.504 5.677 6.864 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.466 6.233 7.157 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -7.690 7.524 7.208 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.544 7.329 8.556 1.00 0.00 H new ATOM 487 N LYS A 37 -7.805 6.217 11.436 1.00 0.00 N ATOM 488 CA LYS A 37 -7.118 6.576 12.666 1.00 0.00 C ATOM 489 C LYS A 37 -5.756 5.880 12.705 1.00 0.00 C ATOM 490 O LYS A 37 -5.649 4.698 12.385 1.00 0.00 O ATOM 491 CB LYS A 37 -7.999 6.272 13.879 1.00 0.00 C ATOM 492 CG LYS A 37 -9.158 7.267 13.978 1.00 0.00 C ATOM 493 CD LYS A 37 -9.053 8.107 15.253 1.00 0.00 C ATOM 494 CE LYS A 37 -10.157 7.738 16.245 1.00 0.00 C ATOM 495 NZ LYS A 37 -9.621 7.690 17.623 1.00 0.00 N ATOM 0 H LYS A 37 -7.802 5.220 11.221 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.929 7.649 12.699 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.391 5.258 13.803 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.399 6.315 14.788 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.156 7.921 13.106 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.106 6.729 13.970 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.078 7.953 15.715 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.123 9.165 15.002 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.964 8.468 16.188 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.583 6.770 15.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.384 7.438 18.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.866 6.977 17.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.236 8.622 17.878 1.00 0.00 H new ATOM 509 N ALA A 38 -4.748 6.644 13.101 1.00 0.00 N ATOM 510 CA ALA A 38 -3.397 6.117 13.186 1.00 0.00 C ATOM 511 C ALA A 38 -3.445 4.696 13.752 1.00 0.00 C ATOM 512 O ALA A 38 -3.986 4.472 14.834 1.00 0.00 O ATOM 513 CB ALA A 38 -2.536 7.054 14.035 1.00 0.00 C ATOM 0 H ALA A 38 -4.840 7.624 13.367 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.942 6.064 12.197 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.522 6.659 14.099 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.512 8.042 13.576 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.960 7.130 15.036 1.00 0.00 H new ATOM 519 N GLY A 39 -2.871 3.772 12.995 1.00 0.00 N ATOM 520 CA GLY A 39 -2.841 2.379 13.408 1.00 0.00 C ATOM 521 C GLY A 39 -4.156 1.677 13.065 1.00 0.00 C ATOM 522 O GLY A 39 -4.679 0.904 13.866 1.00 0.00 O ATOM 0 H GLY A 39 -2.423 3.961 12.098 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.013 1.868 12.917 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.661 2.318 14.481 1.00 0.00 H new ATOM 526 N ASP A 40 -4.654 1.972 11.873 1.00 0.00 N ATOM 527 CA ASP A 40 -5.899 1.379 11.414 1.00 0.00 C ATOM 528 C ASP A 40 -5.607 0.424 10.254 1.00 0.00 C ATOM 529 O ASP A 40 -4.679 0.649 9.479 1.00 0.00 O ATOM 530 CB ASP A 40 -6.868 2.451 10.911 1.00 0.00 C ATOM 531 CG ASP A 40 -7.823 3.006 11.969 1.00 0.00 C ATOM 532 OD1 ASP A 40 -7.420 3.009 13.153 1.00 0.00 O ATOM 533 OD2 ASP A 40 -8.935 3.416 11.571 1.00 0.00 O ATOM 0 H ASP A 40 -4.218 2.614 11.211 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.350 0.851 12.254 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.290 3.277 10.496 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -7.457 2.033 10.095 1.00 0.00 H new ATOM 538 N SER A 41 -6.417 -0.621 10.173 1.00 0.00 N ATOM 539 CA SER A 41 -6.257 -1.611 9.121 1.00 0.00 C ATOM 540 C SER A 41 -6.720 -1.031 7.782 1.00 0.00 C ATOM 541 O SER A 41 -7.885 -1.167 7.413 1.00 0.00 O ATOM 542 CB SER A 41 -7.034 -2.888 9.443 1.00 0.00 C ATOM 543 OG SER A 41 -8.291 -2.608 10.054 1.00 0.00 O ATOM 0 H SER A 41 -7.186 -0.804 10.818 1.00 0.00 H new ATOM 0 HA SER A 41 -5.200 -1.869 9.052 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.195 -3.455 8.526 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.440 -3.516 10.107 1.00 0.00 H new ATOM 0 HG SER A 41 -8.758 -3.449 10.243 1.00 0.00 H new ATOM 549 N LEU A 42 -5.783 -0.398 7.092 1.00 0.00 N ATOM 550 CA LEU A 42 -6.081 0.203 5.803 1.00 0.00 C ATOM 551 C LEU A 42 -6.388 -0.902 4.790 1.00 0.00 C ATOM 552 O LEU A 42 -7.520 -1.022 4.322 1.00 0.00 O ATOM 553 CB LEU A 42 -4.946 1.134 5.371 1.00 0.00 C ATOM 554 CG LEU A 42 -4.675 2.329 6.288 1.00 0.00 C ATOM 555 CD1 LEU A 42 -3.494 3.156 5.774 1.00 0.00 C ATOM 556 CD2 LEU A 42 -5.934 3.179 6.469 1.00 0.00 C ATOM 0 H LEU A 42 -4.817 -0.288 7.401 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.969 0.831 5.871 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.031 0.547 5.292 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.171 1.510 4.373 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.400 1.949 7.272 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.322 3.999 6.443 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.601 2.532 5.739 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.717 3.526 4.773 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.713 4.021 7.125 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.264 3.551 5.499 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.723 2.571 6.912 1.00 0.00 H new ATOM 568 N MET A 43 -5.362 -1.680 4.480 1.00 0.00 N ATOM 569 CA MET A 43 -5.508 -2.770 3.531 1.00 0.00 C ATOM 570 C MET A 43 -4.731 -4.005 3.991 1.00 0.00 C ATOM 571 O MET A 43 -4.042 -3.966 5.009 1.00 0.00 O ATOM 572 CB MET A 43 -4.997 -2.326 2.160 1.00 0.00 C ATOM 573 CG MET A 43 -5.751 -1.089 1.667 1.00 0.00 C ATOM 574 SD MET A 43 -4.618 0.275 1.460 1.00 0.00 S ATOM 575 CE MET A 43 -4.237 0.101 -0.275 1.00 0.00 C ATOM 0 H MET A 43 -4.425 -1.577 4.870 1.00 0.00 H new ATOM 0 HA MET A 43 -6.564 -3.032 3.467 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.931 -2.107 2.219 1.00 0.00 H new ATOM 0 HB3 MET A 43 -5.116 -3.138 1.443 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.246 -1.308 0.721 1.00 0.00 H new ATOM 0 HG3 MET A 43 -6.530 -0.820 2.380 1.00 0.00 H new ATOM 0 HE1 MET A 43 -3.457 0.811 -0.549 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.890 -0.913 -0.471 1.00 0.00 H new ATOM 0 HE3 MET A 43 -5.132 0.299 -0.866 1.00 0.00 H new ATOM 585 N VAL A 44 -4.868 -5.073 3.218 1.00 0.00 N ATOM 586 CA VAL A 44 -4.187 -6.317 3.532 1.00 0.00 C ATOM 587 C VAL A 44 -3.381 -6.775 2.315 1.00 0.00 C ATOM 588 O VAL A 44 -3.928 -6.920 1.223 1.00 0.00 O ATOM 589 CB VAL A 44 -5.200 -7.362 4.006 1.00 0.00 C ATOM 590 CG1 VAL A 44 -4.541 -8.735 4.156 1.00 0.00 C ATOM 591 CG2 VAL A 44 -5.866 -6.928 5.313 1.00 0.00 C ATOM 0 H VAL A 44 -5.441 -5.102 2.375 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.483 -6.170 4.351 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.977 -7.444 3.246 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.282 -9.459 4.494 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.136 -9.051 3.195 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.734 -8.674 4.887 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.581 -7.688 5.627 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.106 -6.803 6.085 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.386 -5.982 5.160 1.00 0.00 H new ATOM 601 N MET A 45 -2.094 -6.988 2.544 1.00 0.00 N ATOM 602 CA MET A 45 -1.207 -7.426 1.480 1.00 0.00 C ATOM 603 C MET A 45 -0.839 -8.902 1.645 1.00 0.00 C ATOM 604 O MET A 45 -1.102 -9.498 2.688 1.00 0.00 O ATOM 605 CB MET A 45 0.066 -6.578 1.495 1.00 0.00 C ATOM 606 CG MET A 45 -0.167 -5.227 0.816 1.00 0.00 C ATOM 607 SD MET A 45 1.328 -4.252 0.865 1.00 0.00 S ATOM 608 CE MET A 45 2.281 -5.082 -0.395 1.00 0.00 C ATOM 0 H MET A 45 -1.644 -6.865 3.451 1.00 0.00 H new ATOM 0 HA MET A 45 -1.724 -7.304 0.528 1.00 0.00 H new ATOM 0 HB2 MET A 45 0.390 -6.421 2.524 1.00 0.00 H new ATOM 0 HB3 MET A 45 0.869 -7.111 0.986 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.478 -5.379 -0.218 1.00 0.00 H new ATOM 0 HG3 MET A 45 -0.975 -4.694 1.317 1.00 0.00 H new ATOM 0 HE1 MET A 45 3.003 -4.386 -0.823 1.00 0.00 H new ATOM 0 HE2 MET A 45 2.809 -5.927 0.046 1.00 0.00 H new ATOM 0 HE3 MET A 45 1.614 -5.440 -1.179 1.00 0.00 H new ATOM 618 N ILE A 46 -0.237 -9.450 0.599 1.00 0.00 N ATOM 619 CA ILE A 46 0.169 -10.844 0.615 1.00 0.00 C ATOM 620 C ILE A 46 1.597 -10.961 0.077 1.00 0.00 C ATOM 621 O ILE A 46 1.897 -10.469 -1.009 1.00 0.00 O ATOM 622 CB ILE A 46 -0.845 -11.707 -0.139 1.00 0.00 C ATOM 623 CG1 ILE A 46 -2.270 -11.421 0.338 1.00 0.00 C ATOM 624 CG2 ILE A 46 -0.490 -13.191 -0.031 1.00 0.00 C ATOM 625 CD1 ILE A 46 -2.474 -11.906 1.775 1.00 0.00 C ATOM 0 H ILE A 46 -0.021 -8.953 -0.265 1.00 0.00 H new ATOM 0 HA ILE A 46 0.180 -11.226 1.636 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.801 -11.442 -1.195 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.469 -10.351 0.280 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.984 -11.915 -0.321 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.227 -13.782 -0.576 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.499 -13.361 -0.458 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.489 -13.489 1.017 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.495 -11.691 2.090 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.298 -12.980 1.825 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.775 -11.393 2.435 1.00 0.00 H new ATOM 637 N ALA A 47 2.439 -11.616 0.863 1.00 0.00 N ATOM 638 CA ALA A 47 3.828 -11.804 0.479 1.00 0.00 C ATOM 639 C ALA A 47 4.203 -13.279 0.641 1.00 0.00 C ATOM 640 O ALA A 47 3.962 -14.086 -0.256 1.00 0.00 O ATOM 641 CB ALA A 47 4.718 -10.881 1.314 1.00 0.00 C ATOM 0 H ALA A 47 2.186 -12.023 1.764 1.00 0.00 H new ATOM 0 HA ALA A 47 3.976 -11.540 -0.568 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.760 -11.022 1.026 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.431 -9.844 1.141 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.598 -11.119 2.371 1.00 0.00 H new ATOM 647 N MET A 48 4.785 -13.585 1.791 1.00 0.00 N ATOM 648 CA MET A 48 5.195 -14.949 2.081 1.00 0.00 C ATOM 649 C MET A 48 3.983 -15.834 2.381 1.00 0.00 C ATOM 650 O MET A 48 3.757 -16.216 3.528 1.00 0.00 O ATOM 651 CB MET A 48 6.140 -14.952 3.285 1.00 0.00 C ATOM 652 CG MET A 48 7.530 -14.447 2.893 1.00 0.00 C ATOM 653 SD MET A 48 8.642 -14.581 4.282 1.00 0.00 S ATOM 654 CE MET A 48 9.224 -12.896 4.377 1.00 0.00 C ATOM 0 H MET A 48 4.982 -12.913 2.532 1.00 0.00 H new ATOM 0 HA MET A 48 5.706 -15.350 1.205 1.00 0.00 H new ATOM 0 HB2 MET A 48 5.730 -14.323 4.075 1.00 0.00 H new ATOM 0 HB3 MET A 48 6.217 -15.961 3.689 1.00 0.00 H new ATOM 0 HG2 MET A 48 7.913 -15.026 2.053 1.00 0.00 H new ATOM 0 HG3 MET A 48 7.470 -13.410 2.564 1.00 0.00 H new ATOM 0 HE1 MET A 48 9.934 -12.802 5.199 1.00 0.00 H new ATOM 0 HE2 MET A 48 9.714 -12.627 3.441 1.00 0.00 H new ATOM 0 HE3 MET A 48 8.380 -12.229 4.549 1.00 0.00 H new ATOM 664 N LYS A 49 3.236 -16.133 1.329 1.00 0.00 N ATOM 665 CA LYS A 49 2.053 -16.966 1.464 1.00 0.00 C ATOM 666 C LYS A 49 1.308 -16.582 2.744 1.00 0.00 C ATOM 667 O LYS A 49 0.647 -17.419 3.357 1.00 0.00 O ATOM 668 CB LYS A 49 2.429 -18.447 1.393 1.00 0.00 C ATOM 669 CG LYS A 49 2.594 -18.902 -0.059 1.00 0.00 C ATOM 670 CD LYS A 49 1.432 -19.800 -0.488 1.00 0.00 C ATOM 671 CE LYS A 49 1.717 -20.457 -1.840 1.00 0.00 C ATOM 672 NZ LYS A 49 0.530 -21.203 -2.314 1.00 0.00 N ATOM 0 H LYS A 49 3.427 -15.813 0.379 1.00 0.00 H new ATOM 0 HA LYS A 49 1.370 -16.794 0.632 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.357 -18.617 1.939 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.659 -19.045 1.880 1.00 0.00 H new ATOM 0 HG2 LYS A 49 2.646 -18.031 -0.713 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.535 -19.441 -0.170 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.265 -20.569 0.266 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.517 -19.211 -0.551 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.991 -19.696 -2.570 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.567 -21.133 -1.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.740 -21.643 -3.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.286 -21.942 -1.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.272 -20.549 -2.419 1.00 0.00 H new ATOM 686 N MET A 50 1.440 -15.315 3.110 1.00 0.00 N ATOM 687 CA MET A 50 0.788 -14.810 4.306 1.00 0.00 C ATOM 688 C MET A 50 0.199 -13.419 4.064 1.00 0.00 C ATOM 689 O MET A 50 0.693 -12.671 3.221 1.00 0.00 O ATOM 690 CB MET A 50 1.800 -14.744 5.451 1.00 0.00 C ATOM 691 CG MET A 50 1.365 -13.729 6.510 1.00 0.00 C ATOM 692 SD MET A 50 2.467 -13.800 7.913 1.00 0.00 S ATOM 693 CE MET A 50 1.281 -13.705 9.244 1.00 0.00 C ATOM 0 H MET A 50 1.989 -14.624 2.599 1.00 0.00 H new ATOM 0 HA MET A 50 -0.025 -15.488 4.567 1.00 0.00 H new ATOM 0 HB2 MET A 50 1.903 -15.729 5.907 1.00 0.00 H new ATOM 0 HB3 MET A 50 2.780 -14.469 5.060 1.00 0.00 H new ATOM 0 HG2 MET A 50 1.367 -12.725 6.086 1.00 0.00 H new ATOM 0 HG3 MET A 50 0.344 -13.938 6.828 1.00 0.00 H new ATOM 0 HE1 MET A 50 1.804 -13.737 10.200 1.00 0.00 H new ATOM 0 HE2 MET A 50 0.722 -12.773 9.167 1.00 0.00 H new ATOM 0 HE3 MET A 50 0.593 -14.548 9.179 1.00 0.00 H new ATOM 703 N GLU A 51 -0.847 -13.114 4.818 1.00 0.00 N ATOM 704 CA GLU A 51 -1.507 -11.826 4.695 1.00 0.00 C ATOM 705 C GLU A 51 -1.080 -10.900 5.836 1.00 0.00 C ATOM 706 O GLU A 51 -0.993 -11.326 6.987 1.00 0.00 O ATOM 707 CB GLU A 51 -3.028 -11.990 4.663 1.00 0.00 C ATOM 708 CG GLU A 51 -3.593 -12.143 6.077 1.00 0.00 C ATOM 709 CD GLU A 51 -4.788 -13.099 6.089 1.00 0.00 C ATOM 710 OE1 GLU A 51 -5.856 -12.679 5.592 1.00 0.00 O ATOM 711 OE2 GLU A 51 -4.607 -14.227 6.595 1.00 0.00 O ATOM 0 H GLU A 51 -1.253 -13.737 5.516 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.203 -11.373 3.751 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.480 -11.125 4.178 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.291 -12.863 4.066 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.817 -12.517 6.744 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.898 -11.168 6.458 1.00 0.00 H new ATOM 718 N HIS A 52 -0.825 -9.650 5.477 1.00 0.00 N ATOM 719 CA HIS A 52 -0.409 -8.660 6.456 1.00 0.00 C ATOM 720 C HIS A 52 -1.351 -7.456 6.401 1.00 0.00 C ATOM 721 O HIS A 52 -1.707 -6.991 5.319 1.00 0.00 O ATOM 722 CB HIS A 52 1.057 -8.276 6.250 1.00 0.00 C ATOM 723 CG HIS A 52 1.869 -9.318 5.520 1.00 0.00 C ATOM 724 ND1 HIS A 52 2.375 -10.446 6.142 1.00 0.00 N ATOM 725 CD2 HIS A 52 2.257 -9.392 4.214 1.00 0.00 C ATOM 726 CE1 HIS A 52 3.036 -11.160 5.242 1.00 0.00 C ATOM 727 NE2 HIS A 52 2.962 -10.505 4.048 1.00 0.00 N ATOM 0 H HIS A 52 -0.899 -9.300 4.522 1.00 0.00 H new ATOM 0 HA HIS A 52 -0.476 -9.084 7.458 1.00 0.00 H new ATOM 0 HB2 HIS A 52 1.102 -7.340 5.693 1.00 0.00 H new ATOM 0 HB3 HIS A 52 1.513 -8.091 7.222 1.00 0.00 H new ATOM 0 HD1 HIS A 52 2.259 -10.687 7.126 1.00 0.00 H new ATOM 0 HD2 HIS A 52 2.029 -8.668 3.446 1.00 0.00 H new ATOM 0 HE1 HIS A 52 3.544 -12.096 5.422 1.00 0.00 H new ATOM 735 N THR A 53 -1.729 -6.986 7.581 1.00 0.00 N ATOM 736 CA THR A 53 -2.623 -5.845 7.681 1.00 0.00 C ATOM 737 C THR A 53 -1.831 -4.538 7.602 1.00 0.00 C ATOM 738 O THR A 53 -1.043 -4.231 8.495 1.00 0.00 O ATOM 739 CB THR A 53 -3.431 -5.989 8.972 1.00 0.00 C ATOM 740 OG1 THR A 53 -4.312 -7.078 8.710 1.00 0.00 O ATOM 741 CG2 THR A 53 -4.366 -4.802 9.213 1.00 0.00 C ATOM 0 H THR A 53 -1.432 -7.375 8.476 1.00 0.00 H new ATOM 0 HA THR A 53 -3.322 -5.816 6.845 1.00 0.00 H new ATOM 0 HB THR A 53 -2.750 -6.092 9.817 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.873 -7.242 9.497 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.916 -4.955 10.142 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.780 -3.886 9.285 1.00 0.00 H new ATOM 0 HG23 THR A 53 -5.069 -4.719 8.385 1.00 0.00 H new ATOM 749 N ILE A 54 -2.068 -3.804 6.524 1.00 0.00 N ATOM 750 CA ILE A 54 -1.387 -2.538 6.317 1.00 0.00 C ATOM 751 C ILE A 54 -1.936 -1.502 7.300 1.00 0.00 C ATOM 752 O ILE A 54 -3.007 -0.938 7.079 1.00 0.00 O ATOM 753 CB ILE A 54 -1.486 -2.109 4.852 1.00 0.00 C ATOM 754 CG1 ILE A 54 -1.256 -3.298 3.916 1.00 0.00 C ATOM 755 CG2 ILE A 54 -0.532 -0.951 4.553 1.00 0.00 C ATOM 756 CD1 ILE A 54 -0.049 -4.124 4.366 1.00 0.00 C ATOM 0 H ILE A 54 -2.722 -4.062 5.785 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.322 -2.641 6.523 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.498 -1.747 4.670 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.145 -3.928 3.897 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.097 -2.940 2.899 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.623 -0.666 3.505 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.785 -0.099 5.184 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.493 -1.262 4.757 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.093 -4.963 3.684 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.843 -3.498 4.361 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.222 -4.501 5.374 1.00 0.00 H new ATOM 768 N LYS A 55 -1.177 -1.281 8.363 1.00 0.00 N ATOM 769 CA LYS A 55 -1.574 -0.322 9.380 1.00 0.00 C ATOM 770 C LYS A 55 -1.220 1.090 8.910 1.00 0.00 C ATOM 771 O LYS A 55 -0.186 1.296 8.276 1.00 0.00 O ATOM 772 CB LYS A 55 -0.962 -0.692 10.733 1.00 0.00 C ATOM 773 CG LYS A 55 -1.605 -1.960 11.298 1.00 0.00 C ATOM 774 CD LYS A 55 -2.544 -1.629 12.459 1.00 0.00 C ATOM 775 CE LYS A 55 -3.742 -2.580 12.483 1.00 0.00 C ATOM 776 NZ LYS A 55 -3.577 -3.594 13.548 1.00 0.00 N ATOM 0 H LYS A 55 -0.289 -1.750 8.542 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.654 -0.347 9.527 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.112 -0.843 10.621 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.096 0.132 11.434 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.160 -2.472 10.512 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.828 -2.645 11.638 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.001 -1.698 13.402 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.893 -0.601 12.367 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.659 -2.015 12.650 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.842 -3.073 11.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.399 -4.232 13.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.712 -4.144 13.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.504 -3.120 14.471 1.00 0.00 H new ATOM 790 N SER A 56 -2.098 2.026 9.238 1.00 0.00 N ATOM 791 CA SER A 56 -1.891 3.413 8.857 1.00 0.00 C ATOM 792 C SER A 56 -0.698 3.992 9.619 1.00 0.00 C ATOM 793 O SER A 56 -0.500 3.687 10.794 1.00 0.00 O ATOM 794 CB SER A 56 -3.145 4.249 9.119 1.00 0.00 C ATOM 795 OG SER A 56 -3.316 5.275 8.146 1.00 0.00 O ATOM 0 H SER A 56 -2.955 1.851 9.763 1.00 0.00 H new ATOM 0 HA SER A 56 -1.682 3.447 7.788 1.00 0.00 H new ATOM 0 HB2 SER A 56 -4.020 3.599 9.118 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.081 4.697 10.111 1.00 0.00 H new ATOM 0 HG SER A 56 -3.268 6.151 8.583 1.00 0.00 H new ATOM 801 N PRO A 57 0.087 4.840 8.901 1.00 0.00 N ATOM 802 CA PRO A 57 1.255 5.464 9.497 1.00 0.00 C ATOM 803 C PRO A 57 0.849 6.592 10.448 1.00 0.00 C ATOM 804 O PRO A 57 1.526 6.843 11.444 1.00 0.00 O ATOM 805 CB PRO A 57 2.085 5.951 8.319 1.00 0.00 C ATOM 806 CG PRO A 57 1.137 5.996 7.132 1.00 0.00 C ATOM 807 CD PRO A 57 -0.117 5.224 7.507 1.00 0.00 C ATOM 0 HA PRO A 57 1.830 4.775 10.115 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.507 6.936 8.519 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.921 5.279 8.126 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.889 7.027 6.880 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.607 5.557 6.252 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.010 5.839 7.392 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.249 4.349 6.870 1.00 0.00 H new ATOM 815 N LYS A 58 -0.255 7.241 10.108 1.00 0.00 N ATOM 816 CA LYS A 58 -0.759 8.336 10.919 1.00 0.00 C ATOM 817 C LYS A 58 -2.238 8.563 10.599 1.00 0.00 C ATOM 818 O LYS A 58 -2.840 7.795 9.850 1.00 0.00 O ATOM 819 CB LYS A 58 0.108 9.583 10.735 1.00 0.00 C ATOM 820 CG LYS A 58 -0.060 10.166 9.331 1.00 0.00 C ATOM 821 CD LYS A 58 -0.132 11.693 9.376 1.00 0.00 C ATOM 822 CE LYS A 58 0.201 12.298 8.011 1.00 0.00 C ATOM 823 NZ LYS A 58 -0.471 13.607 7.846 1.00 0.00 N ATOM 0 H LYS A 58 -0.815 7.029 9.282 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.696 8.086 11.978 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.164 10.332 11.479 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.155 9.331 10.905 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.775 9.856 8.703 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.967 9.769 8.875 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.131 12.005 9.682 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.564 12.072 10.125 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.280 12.422 7.915 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.114 11.619 7.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.234 14.004 6.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.501 13.480 7.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.151 14.258 8.591 1.00 0.00 H new ATOM 837 N ASP A 59 -2.781 9.621 11.183 1.00 0.00 N ATOM 838 CA ASP A 59 -4.178 9.958 10.970 1.00 0.00 C ATOM 839 C ASP A 59 -4.297 10.875 9.750 1.00 0.00 C ATOM 840 O ASP A 59 -3.380 11.639 9.453 1.00 0.00 O ATOM 841 CB ASP A 59 -4.757 10.700 12.176 1.00 0.00 C ATOM 842 CG ASP A 59 -6.192 11.200 12.001 1.00 0.00 C ATOM 843 OD1 ASP A 59 -6.354 12.226 11.306 1.00 0.00 O ATOM 844 OD2 ASP A 59 -7.094 10.546 12.566 1.00 0.00 O ATOM 0 H ASP A 59 -2.279 10.256 11.803 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.729 9.029 10.820 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.722 10.038 13.041 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.116 11.553 12.401 1.00 0.00 H new ATOM 849 N GLY A 60 -5.433 10.768 9.078 1.00 0.00 N ATOM 850 CA GLY A 60 -5.683 11.578 7.897 1.00 0.00 C ATOM 851 C GLY A 60 -6.825 10.994 7.063 1.00 0.00 C ATOM 852 O GLY A 60 -7.211 9.842 7.254 1.00 0.00 O ATOM 0 H GLY A 60 -6.191 10.133 9.328 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.930 12.597 8.196 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -4.778 11.634 7.292 1.00 0.00 H new ATOM 856 N THR A 61 -7.333 11.816 6.157 1.00 0.00 N ATOM 857 CA THR A 61 -8.423 11.395 5.293 1.00 0.00 C ATOM 858 C THR A 61 -7.884 10.958 3.929 1.00 0.00 C ATOM 859 O THR A 61 -7.459 11.790 3.129 1.00 0.00 O ATOM 860 CB THR A 61 -9.429 12.544 5.208 1.00 0.00 C ATOM 861 OG1 THR A 61 -10.150 12.466 6.435 1.00 0.00 O ATOM 862 CG2 THR A 61 -10.495 12.312 4.135 1.00 0.00 C ATOM 0 H THR A 61 -7.010 12.771 6.002 1.00 0.00 H new ATOM 0 HA THR A 61 -8.936 10.523 5.700 1.00 0.00 H new ATOM 0 HB THR A 61 -8.900 13.474 4.999 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.823 13.177 6.464 1.00 0.00 H new ATOM 0 HG21 THR A 61 -11.183 13.157 4.117 1.00 0.00 H new ATOM 0 HG22 THR A 61 -10.016 12.214 3.161 1.00 0.00 H new ATOM 0 HG23 THR A 61 -11.047 11.400 4.362 1.00 0.00 H new ATOM 870 N VAL A 62 -7.920 9.652 3.706 1.00 0.00 N ATOM 871 CA VAL A 62 -7.440 9.094 2.453 1.00 0.00 C ATOM 872 C VAL A 62 -7.938 9.956 1.292 1.00 0.00 C ATOM 873 O VAL A 62 -9.144 10.115 1.104 1.00 0.00 O ATOM 874 CB VAL A 62 -7.867 7.629 2.336 1.00 0.00 C ATOM 875 CG1 VAL A 62 -7.348 7.009 1.037 1.00 0.00 C ATOM 876 CG2 VAL A 62 -7.402 6.824 3.551 1.00 0.00 C ATOM 0 H VAL A 62 -8.274 8.965 4.371 1.00 0.00 H new ATOM 0 HA VAL A 62 -6.351 9.105 2.422 1.00 0.00 H new ATOM 0 HB VAL A 62 -8.956 7.598 2.310 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.665 5.968 0.979 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.749 7.559 0.186 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.259 7.058 1.020 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -7.718 5.787 3.443 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -6.315 6.867 3.621 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -7.841 7.245 4.456 1.00 0.00 H new ATOM 886 N LYS A 63 -6.985 10.490 0.542 1.00 0.00 N ATOM 887 CA LYS A 63 -7.312 11.332 -0.596 1.00 0.00 C ATOM 888 C LYS A 63 -7.659 10.449 -1.796 1.00 0.00 C ATOM 889 O LYS A 63 -8.746 10.561 -2.361 1.00 0.00 O ATOM 890 CB LYS A 63 -6.181 12.326 -0.870 1.00 0.00 C ATOM 891 CG LYS A 63 -6.583 13.328 -1.954 1.00 0.00 C ATOM 892 CD LYS A 63 -5.498 14.390 -2.147 1.00 0.00 C ATOM 893 CE LYS A 63 -5.775 15.236 -3.391 1.00 0.00 C ATOM 894 NZ LYS A 63 -4.626 16.124 -3.681 1.00 0.00 N ATOM 0 H LYS A 63 -5.986 10.356 0.700 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.192 11.938 -0.381 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.930 12.858 0.047 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.286 11.787 -1.181 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.755 12.803 -2.894 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.523 13.808 -1.680 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.453 15.033 -1.268 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.525 13.908 -2.240 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.964 14.586 -4.245 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.674 15.833 -3.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.831 16.691 -4.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.463 16.757 -2.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.776 15.549 -3.847 1.00 0.00 H new ATOM 908 N LYS A 64 -6.714 9.590 -2.150 1.00 0.00 N ATOM 909 CA LYS A 64 -6.906 8.687 -3.273 1.00 0.00 C ATOM 910 C LYS A 64 -6.048 7.437 -3.069 1.00 0.00 C ATOM 911 O LYS A 64 -4.986 7.503 -2.452 1.00 0.00 O ATOM 912 CB LYS A 64 -6.635 9.410 -4.594 1.00 0.00 C ATOM 913 CG LYS A 64 -6.193 8.425 -5.677 1.00 0.00 C ATOM 914 CD LYS A 64 -4.687 8.166 -5.602 1.00 0.00 C ATOM 915 CE LYS A 64 -4.019 8.411 -6.956 1.00 0.00 C ATOM 916 NZ LYS A 64 -3.319 9.715 -6.961 1.00 0.00 N ATOM 0 H LYS A 64 -5.814 9.500 -1.679 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.944 8.357 -3.324 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.535 9.933 -4.918 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.863 10.166 -4.448 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.733 7.485 -5.561 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.449 8.821 -6.660 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.240 8.816 -4.849 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.507 7.139 -5.284 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.310 7.611 -7.169 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.769 8.391 -7.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.228 10.056 -7.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.864 10.404 -6.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.373 9.603 -6.544 1.00 0.00 H new ATOM 930 N VAL A 65 -6.541 6.327 -3.599 1.00 0.00 N ATOM 931 CA VAL A 65 -5.833 5.064 -3.483 1.00 0.00 C ATOM 932 C VAL A 65 -5.039 4.809 -4.766 1.00 0.00 C ATOM 933 O VAL A 65 -5.446 5.234 -5.846 1.00 0.00 O ATOM 934 CB VAL A 65 -6.818 3.940 -3.156 1.00 0.00 C ATOM 935 CG1 VAL A 65 -6.085 2.613 -2.945 1.00 0.00 C ATOM 936 CG2 VAL A 65 -7.670 4.295 -1.936 1.00 0.00 C ATOM 0 H VAL A 65 -7.422 6.277 -4.110 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.118 5.101 -2.661 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.487 3.822 -4.009 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.808 1.831 -2.714 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.542 2.349 -3.853 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.382 2.713 -2.118 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.362 3.479 -1.725 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.022 4.454 -1.074 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.234 5.205 -2.139 1.00 0.00 H new ATOM 946 N PHE A 66 -3.922 4.116 -4.605 1.00 0.00 N ATOM 947 CA PHE A 66 -3.068 3.800 -5.737 1.00 0.00 C ATOM 948 C PHE A 66 -3.200 2.327 -6.129 1.00 0.00 C ATOM 949 O PHE A 66 -3.182 1.992 -7.312 1.00 0.00 O ATOM 950 CB PHE A 66 -1.627 4.072 -5.300 1.00 0.00 C ATOM 951 CG PHE A 66 -1.312 5.553 -5.080 1.00 0.00 C ATOM 952 CD1 PHE A 66 -1.278 6.406 -6.139 1.00 0.00 C ATOM 953 CD2 PHE A 66 -1.067 6.017 -3.826 1.00 0.00 C ATOM 954 CE1 PHE A 66 -0.986 7.780 -5.935 1.00 0.00 C ATOM 955 CE2 PHE A 66 -0.775 7.391 -3.621 1.00 0.00 C ATOM 956 CZ PHE A 66 -0.741 8.244 -4.680 1.00 0.00 C ATOM 0 H PHE A 66 -3.588 3.764 -3.708 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.353 4.404 -6.598 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.430 3.528 -4.376 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.948 3.675 -6.055 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.473 6.038 -7.135 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.095 5.340 -2.985 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.958 8.457 -6.776 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.580 7.759 -2.625 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.520 9.290 -4.524 1.00 0.00 H new ATOM 966 N TYR A 67 -3.329 1.487 -5.113 1.00 0.00 N ATOM 967 CA TYR A 67 -3.464 0.057 -5.336 1.00 0.00 C ATOM 968 C TYR A 67 -4.829 -0.445 -4.860 1.00 0.00 C ATOM 969 O TYR A 67 -5.387 0.081 -3.899 1.00 0.00 O ATOM 970 CB TYR A 67 -2.369 -0.606 -4.498 1.00 0.00 C ATOM 971 CG TYR A 67 -0.960 -0.436 -5.069 1.00 0.00 C ATOM 972 CD1 TYR A 67 -0.225 0.693 -4.769 1.00 0.00 C ATOM 973 CD2 TYR A 67 -0.424 -1.412 -5.884 1.00 0.00 C ATOM 974 CE1 TYR A 67 1.101 0.852 -5.307 1.00 0.00 C ATOM 975 CE2 TYR A 67 0.903 -1.252 -6.422 1.00 0.00 C ATOM 976 CZ TYR A 67 1.600 -0.128 -6.106 1.00 0.00 C ATOM 977 OH TYR A 67 2.852 0.023 -6.614 1.00 0.00 O ATOM 0 H TYR A 67 -3.343 1.769 -4.133 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.377 -0.176 -6.397 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.394 -0.190 -3.491 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.588 -1.670 -4.409 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -0.644 1.457 -4.131 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.999 -2.296 -6.119 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.686 1.731 -5.081 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.334 -2.008 -7.062 1.00 0.00 H new ATOM 0 HH TYR A 67 3.077 -0.755 -7.166 1.00 0.00 H new ATOM 987 N ARG A 68 -5.326 -1.458 -5.555 1.00 0.00 N ATOM 988 CA ARG A 68 -6.614 -2.038 -5.215 1.00 0.00 C ATOM 989 C ARG A 68 -6.477 -3.547 -5.001 1.00 0.00 C ATOM 990 O ARG A 68 -5.380 -4.093 -5.094 1.00 0.00 O ATOM 991 CB ARG A 68 -7.643 -1.777 -6.317 1.00 0.00 C ATOM 992 CG ARG A 68 -7.814 -0.277 -6.563 1.00 0.00 C ATOM 993 CD ARG A 68 -9.276 0.143 -6.397 1.00 0.00 C ATOM 994 NE ARG A 68 -9.353 1.577 -6.038 1.00 0.00 N ATOM 995 CZ ARG A 68 -9.312 2.577 -6.928 1.00 0.00 C ATOM 996 NH1 ARG A 68 -9.194 2.307 -8.235 1.00 0.00 N ATOM 997 NH2 ARG A 68 -9.389 3.849 -6.511 1.00 0.00 N ATOM 0 H ARG A 68 -4.860 -1.892 -6.352 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.957 -1.567 -4.294 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.327 -2.266 -7.238 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -8.601 -2.215 -6.036 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.190 0.283 -5.866 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.472 -0.028 -7.568 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.822 -0.039 -7.322 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.751 -0.460 -5.623 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.443 1.819 -5.051 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.135 1.339 -8.553 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.163 3.069 -8.912 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.479 4.055 -5.516 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.358 4.611 -7.189 1.00 0.00 H new ATOM 1011 N GLU A 69 -7.608 -4.177 -4.720 1.00 0.00 N ATOM 1012 CA GLU A 69 -7.629 -5.612 -4.492 1.00 0.00 C ATOM 1013 C GLU A 69 -7.022 -6.348 -5.689 1.00 0.00 C ATOM 1014 O GLU A 69 -7.318 -6.022 -6.837 1.00 0.00 O ATOM 1015 CB GLU A 69 -9.050 -6.102 -4.210 1.00 0.00 C ATOM 1016 CG GLU A 69 -9.637 -5.405 -2.980 1.00 0.00 C ATOM 1017 CD GLU A 69 -11.059 -4.913 -3.256 1.00 0.00 C ATOM 1018 OE1 GLU A 69 -11.180 -3.906 -3.987 1.00 0.00 O ATOM 1019 OE2 GLU A 69 -11.993 -5.554 -2.728 1.00 0.00 O ATOM 0 H GLU A 69 -8.517 -3.720 -4.645 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.024 -5.829 -3.612 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.683 -5.912 -5.077 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.042 -7.180 -4.052 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.644 -6.094 -2.136 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.005 -4.563 -2.698 1.00 0.00 H new ATOM 1026 N GLY A 70 -6.185 -7.327 -5.378 1.00 0.00 N ATOM 1027 CA GLY A 70 -5.535 -8.112 -6.414 1.00 0.00 C ATOM 1028 C GLY A 70 -4.544 -7.258 -7.207 1.00 0.00 C ATOM 1029 O GLY A 70 -4.429 -7.403 -8.424 1.00 0.00 O ATOM 0 H GLY A 70 -5.942 -7.594 -4.424 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.014 -8.956 -5.963 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.286 -8.525 -7.088 1.00 0.00 H new ATOM 1033 N ALA A 71 -3.853 -6.387 -6.487 1.00 0.00 N ATOM 1034 CA ALA A 71 -2.875 -5.510 -7.109 1.00 0.00 C ATOM 1035 C ALA A 71 -1.473 -5.902 -6.640 1.00 0.00 C ATOM 1036 O ALA A 71 -1.283 -6.273 -5.482 1.00 0.00 O ATOM 1037 CB ALA A 71 -3.214 -4.054 -6.781 1.00 0.00 C ATOM 0 H ALA A 71 -3.951 -6.269 -5.479 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.900 -5.615 -8.194 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.481 -3.396 -7.247 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.208 -3.817 -7.161 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.195 -3.911 -5.701 1.00 0.00 H new ATOM 1043 N GLN A 72 -0.527 -5.808 -7.563 1.00 0.00 N ATOM 1044 CA GLN A 72 0.852 -6.149 -7.258 1.00 0.00 C ATOM 1045 C GLN A 72 1.631 -4.896 -6.852 1.00 0.00 C ATOM 1046 O GLN A 72 1.918 -4.041 -7.689 1.00 0.00 O ATOM 1047 CB GLN A 72 1.519 -6.849 -8.444 1.00 0.00 C ATOM 1048 CG GLN A 72 3.042 -6.837 -8.302 1.00 0.00 C ATOM 1049 CD GLN A 72 3.638 -8.198 -8.668 1.00 0.00 C ATOM 1050 OE1 GLN A 72 3.578 -8.646 -9.801 1.00 0.00 O ATOM 1051 NE2 GLN A 72 4.216 -8.827 -7.649 1.00 0.00 N ATOM 0 H GLN A 72 -0.688 -5.501 -8.522 1.00 0.00 H new ATOM 0 HA GLN A 72 0.857 -6.844 -6.419 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.164 -7.878 -8.510 1.00 0.00 H new ATOM 0 HB3 GLN A 72 1.233 -6.353 -9.371 1.00 0.00 H new ATOM 0 HG2 GLN A 72 3.465 -6.066 -8.946 1.00 0.00 H new ATOM 0 HG3 GLN A 72 3.313 -6.581 -7.278 1.00 0.00 H new ATOM 0 HE21 GLN A 72 4.231 -8.395 -6.725 1.00 0.00 H new ATOM 0 HE22 GLN A 72 4.644 -9.742 -7.791 1.00 0.00 H new ATOM 1060 N ALA A 73 1.952 -4.828 -5.569 1.00 0.00 N ATOM 1061 CA ALA A 73 2.693 -3.694 -5.042 1.00 0.00 C ATOM 1062 C ALA A 73 4.165 -4.079 -4.886 1.00 0.00 C ATOM 1063 O ALA A 73 4.502 -5.262 -4.870 1.00 0.00 O ATOM 1064 CB ALA A 73 2.065 -3.243 -3.721 1.00 0.00 C ATOM 0 H ALA A 73 1.713 -5.539 -4.878 1.00 0.00 H new ATOM 0 HA ALA A 73 2.645 -2.851 -5.731 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.621 -2.393 -3.326 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.029 -2.952 -3.892 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.098 -4.063 -3.004 1.00 0.00 H new ATOM 1070 N ASN A 74 5.003 -3.059 -4.775 1.00 0.00 N ATOM 1071 CA ASN A 74 6.431 -3.276 -4.621 1.00 0.00 C ATOM 1072 C ASN A 74 6.887 -2.709 -3.275 1.00 0.00 C ATOM 1073 O ASN A 74 6.140 -1.985 -2.618 1.00 0.00 O ATOM 1074 CB ASN A 74 7.218 -2.566 -5.724 1.00 0.00 C ATOM 1075 CG ASN A 74 8.146 -3.543 -6.451 1.00 0.00 C ATOM 1076 OD1 ASN A 74 7.835 -4.706 -6.646 1.00 0.00 O ATOM 1077 ND2 ASN A 74 9.299 -3.006 -6.839 1.00 0.00 N ATOM 0 H ASN A 74 4.720 -2.079 -4.789 1.00 0.00 H new ATOM 0 HA ASN A 74 6.617 -4.348 -4.678 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.527 -2.116 -6.437 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.804 -1.754 -5.293 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.986 -3.576 -7.332 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.496 -2.024 -6.643 1.00 0.00 H new ATOM 1084 N ARG A 75 8.110 -3.058 -2.905 1.00 0.00 N ATOM 1085 CA ARG A 75 8.674 -2.593 -1.650 1.00 0.00 C ATOM 1086 C ARG A 75 8.986 -1.097 -1.730 1.00 0.00 C ATOM 1087 O ARG A 75 9.781 -0.670 -2.566 1.00 0.00 O ATOM 1088 CB ARG A 75 9.954 -3.356 -1.304 1.00 0.00 C ATOM 1089 CG ARG A 75 10.193 -3.370 0.207 1.00 0.00 C ATOM 1090 CD ARG A 75 10.821 -4.693 0.651 1.00 0.00 C ATOM 1091 NE ARG A 75 10.812 -4.788 2.128 1.00 0.00 N ATOM 1092 CZ ARG A 75 11.649 -5.558 2.836 1.00 0.00 C ATOM 1093 NH1 ARG A 75 12.565 -6.306 2.207 1.00 0.00 N ATOM 1094 NH2 ARG A 75 11.568 -5.581 4.173 1.00 0.00 N ATOM 0 H ARG A 75 8.727 -3.658 -3.453 1.00 0.00 H new ATOM 0 HA ARG A 75 7.936 -2.773 -0.869 1.00 0.00 H new ATOM 0 HB2 ARG A 75 9.883 -4.379 -1.674 1.00 0.00 H new ATOM 0 HB3 ARG A 75 10.804 -2.894 -1.806 1.00 0.00 H new ATOM 0 HG2 ARG A 75 10.847 -2.542 0.483 1.00 0.00 H new ATOM 0 HG3 ARG A 75 9.249 -3.218 0.730 1.00 0.00 H new ATOM 0 HD2 ARG A 75 10.269 -5.529 0.221 1.00 0.00 H new ATOM 0 HD3 ARG A 75 11.844 -4.762 0.280 1.00 0.00 H new ATOM 0 HE ARG A 75 10.126 -4.233 2.639 1.00 0.00 H new ATOM 0 HH11 ARG A 75 12.625 -6.289 1.189 1.00 0.00 H new ATOM 0 HH12 ARG A 75 13.202 -6.892 2.746 1.00 0.00 H new ATOM 0 HH21 ARG A 75 10.869 -5.012 4.651 1.00 0.00 H new ATOM 0 HH22 ARG A 75 12.205 -6.167 4.713 1.00 0.00 H new ATOM 1108 N HIS A 76 8.344 -0.343 -0.850 1.00 0.00 N ATOM 1109 CA HIS A 76 8.544 1.096 -0.811 1.00 0.00 C ATOM 1110 C HIS A 76 7.697 1.761 -1.898 1.00 0.00 C ATOM 1111 O HIS A 76 8.203 2.561 -2.683 1.00 0.00 O ATOM 1112 CB HIS A 76 10.030 1.441 -0.924 1.00 0.00 C ATOM 1113 CG HIS A 76 10.931 0.553 -0.100 1.00 0.00 C ATOM 1114 ND1 HIS A 76 12.173 0.129 -0.541 1.00 0.00 N ATOM 1115 CD2 HIS A 76 10.759 0.015 1.141 1.00 0.00 C ATOM 1116 CE1 HIS A 76 12.714 -0.630 0.400 1.00 0.00 C ATOM 1117 NE2 HIS A 76 11.836 -0.700 1.442 1.00 0.00 N ATOM 0 H HIS A 76 7.685 -0.701 -0.159 1.00 0.00 H new ATOM 0 HA HIS A 76 8.212 1.487 0.151 1.00 0.00 H new ATOM 0 HB2 HIS A 76 10.329 1.374 -1.970 1.00 0.00 H new ATOM 0 HB3 HIS A 76 10.177 2.476 -0.616 1.00 0.00 H new ATOM 0 HD2 HIS A 76 9.893 0.148 1.772 1.00 0.00 H new ATOM 0 HE1 HIS A 76 13.681 -1.109 0.351 1.00 0.00 H new ATOM 0 HE2 HIS A 76 11.983 -1.217 2.309 1.00 0.00 H new ATOM 1125 N THR A 77 6.420 1.406 -1.908 1.00 0.00 N ATOM 1126 CA THR A 77 5.498 1.958 -2.885 1.00 0.00 C ATOM 1127 C THR A 77 4.300 2.601 -2.184 1.00 0.00 C ATOM 1128 O THR A 77 3.937 2.204 -1.078 1.00 0.00 O ATOM 1129 CB THR A 77 5.106 0.838 -3.852 1.00 0.00 C ATOM 1130 OG1 THR A 77 4.596 -0.188 -3.005 1.00 0.00 O ATOM 1131 CG2 THR A 77 6.320 0.196 -4.526 1.00 0.00 C ATOM 0 H THR A 77 6.003 0.743 -1.255 1.00 0.00 H new ATOM 0 HA THR A 77 5.965 2.756 -3.462 1.00 0.00 H new ATOM 0 HB THR A 77 4.435 1.234 -4.614 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.013 -1.043 -3.239 1.00 0.00 H new ATOM 0 HG21 THR A 77 5.987 -0.592 -5.201 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.865 0.952 -5.091 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.975 -0.230 -3.766 1.00 0.00 H new ATOM 1139 N PRO A 78 3.704 3.611 -2.873 1.00 0.00 N ATOM 1140 CA PRO A 78 2.555 4.313 -2.328 1.00 0.00 C ATOM 1141 C PRO A 78 1.292 3.456 -2.424 1.00 0.00 C ATOM 1142 O PRO A 78 0.886 3.063 -3.517 1.00 0.00 O ATOM 1143 CB PRO A 78 2.462 5.600 -3.132 1.00 0.00 C ATOM 1144 CG PRO A 78 3.270 5.360 -4.397 1.00 0.00 C ATOM 1145 CD PRO A 78 4.107 4.109 -4.185 1.00 0.00 C ATOM 0 HA PRO A 78 2.661 4.530 -1.265 1.00 0.00 H new ATOM 0 HB2 PRO A 78 1.425 5.838 -3.370 1.00 0.00 H new ATOM 0 HB3 PRO A 78 2.861 6.443 -2.568 1.00 0.00 H new ATOM 0 HG2 PRO A 78 2.609 5.236 -5.255 1.00 0.00 H new ATOM 0 HG3 PRO A 78 3.910 6.216 -4.609 1.00 0.00 H new ATOM 0 HD2 PRO A 78 3.919 3.370 -4.964 1.00 0.00 H new ATOM 0 HD3 PRO A 78 5.173 4.336 -4.212 1.00 0.00 H new ATOM 1153 N LEU A 79 0.706 3.190 -1.266 1.00 0.00 N ATOM 1154 CA LEU A 79 -0.503 2.386 -1.206 1.00 0.00 C ATOM 1155 C LEU A 79 -1.725 3.308 -1.220 1.00 0.00 C ATOM 1156 O LEU A 79 -2.611 3.157 -2.059 1.00 0.00 O ATOM 1157 CB LEU A 79 -0.459 1.441 -0.004 1.00 0.00 C ATOM 1158 CG LEU A 79 0.835 0.645 0.177 1.00 0.00 C ATOM 1159 CD1 LEU A 79 0.825 -0.125 1.499 1.00 0.00 C ATOM 1160 CD2 LEU A 79 1.084 -0.275 -1.020 1.00 0.00 C ATOM 0 H LEU A 79 1.046 3.517 -0.362 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.578 1.744 -2.084 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.632 2.026 0.899 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.286 0.737 -0.090 1.00 0.00 H new ATOM 0 HG LEU A 79 1.666 1.349 0.221 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.756 -0.682 1.603 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.728 0.576 2.328 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.016 -0.818 1.510 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.010 -0.829 -0.866 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.254 -0.975 -1.120 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.166 0.323 -1.928 1.00 0.00 H new ATOM 1172 N VAL A 80 -1.732 4.241 -0.280 1.00 0.00 N ATOM 1173 CA VAL A 80 -2.830 5.187 -0.173 1.00 0.00 C ATOM 1174 C VAL A 80 -2.270 6.583 0.107 1.00 0.00 C ATOM 1175 O VAL A 80 -1.222 6.720 0.737 1.00 0.00 O ATOM 1176 CB VAL A 80 -3.824 4.717 0.891 1.00 0.00 C ATOM 1177 CG1 VAL A 80 -4.771 3.656 0.326 1.00 0.00 C ATOM 1178 CG2 VAL A 80 -3.095 4.197 2.131 1.00 0.00 C ATOM 0 H VAL A 80 -0.995 4.362 0.415 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.381 5.240 -1.112 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.424 5.576 1.191 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.467 3.339 1.103 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.328 4.075 -0.512 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.193 2.797 -0.016 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.825 3.869 2.871 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.458 3.357 1.853 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.482 4.993 2.553 1.00 0.00 H new ATOM 1188 N GLU A 81 -2.993 7.583 -0.373 1.00 0.00 N ATOM 1189 CA GLU A 81 -2.581 8.964 -0.182 1.00 0.00 C ATOM 1190 C GLU A 81 -3.451 9.635 0.883 1.00 0.00 C ATOM 1191 O GLU A 81 -4.599 9.243 1.088 1.00 0.00 O ATOM 1192 CB GLU A 81 -2.633 9.739 -1.500 1.00 0.00 C ATOM 1193 CG GLU A 81 -1.638 10.901 -1.492 1.00 0.00 C ATOM 1194 CD GLU A 81 -1.049 11.128 -2.886 1.00 0.00 C ATOM 1195 OE1 GLU A 81 -1.850 11.140 -3.846 1.00 0.00 O ATOM 1196 OE2 GLU A 81 0.189 11.285 -2.961 1.00 0.00 O ATOM 0 H GLU A 81 -3.862 7.465 -0.894 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.548 8.970 0.164 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.408 9.069 -2.329 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.641 10.120 -1.663 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.136 11.809 -1.152 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.836 10.693 -0.784 1.00 0.00 H new ATOM 1203 N PHE A 82 -2.872 10.634 1.531 1.00 0.00 N ATOM 1204 CA PHE A 82 -3.580 11.363 2.569 1.00 0.00 C ATOM 1205 C PHE A 82 -3.960 12.766 2.092 1.00 0.00 C ATOM 1206 O PHE A 82 -3.317 13.318 1.201 1.00 0.00 O ATOM 1207 CB PHE A 82 -2.627 11.483 3.761 1.00 0.00 C ATOM 1208 CG PHE A 82 -2.647 10.274 4.698 1.00 0.00 C ATOM 1209 CD1 PHE A 82 -3.774 9.974 5.397 1.00 0.00 C ATOM 1210 CD2 PHE A 82 -1.537 9.498 4.830 1.00 0.00 C ATOM 1211 CE1 PHE A 82 -3.792 8.851 6.267 1.00 0.00 C ATOM 1212 CE2 PHE A 82 -1.555 8.376 5.700 1.00 0.00 C ATOM 1213 CZ PHE A 82 -2.682 8.076 6.400 1.00 0.00 C ATOM 0 H PHE A 82 -1.920 10.956 1.357 1.00 0.00 H new ATOM 0 HA PHE A 82 -4.498 10.837 2.833 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.612 11.625 3.389 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.885 12.376 4.331 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.655 10.589 5.291 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.643 9.735 4.273 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.687 8.613 6.823 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -0.674 7.761 5.806 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.696 7.222 7.061 1.00 0.00 H new ATOM 1223 N GLU A 83 -5.004 13.302 2.707 1.00 0.00 N ATOM 1224 CA GLU A 83 -5.478 14.631 2.356 1.00 0.00 C ATOM 1225 C GLU A 83 -4.538 15.696 2.924 1.00 0.00 C ATOM 1226 O GLU A 83 -3.738 15.413 3.813 1.00 0.00 O ATOM 1227 CB GLU A 83 -6.912 14.848 2.843 1.00 0.00 C ATOM 1228 CG GLU A 83 -7.924 14.368 1.801 1.00 0.00 C ATOM 1229 CD GLU A 83 -8.169 15.444 0.740 1.00 0.00 C ATOM 1230 OE1 GLU A 83 -7.161 15.959 0.210 1.00 0.00 O ATOM 1231 OE2 GLU A 83 -9.359 15.726 0.483 1.00 0.00 O ATOM 0 H GLU A 83 -5.535 12.841 3.446 1.00 0.00 H new ATOM 0 HA GLU A 83 -5.482 14.720 1.270 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -7.067 14.312 3.779 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.073 15.906 3.051 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -7.558 13.459 1.324 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.864 14.114 2.291 1.00 0.00 H new ATOM 1238 N GLU A 84 -4.667 16.900 2.385 1.00 0.00 N ATOM 1239 CA GLU A 84 -3.840 18.010 2.827 1.00 0.00 C ATOM 1240 C GLU A 84 -4.478 18.701 4.034 1.00 0.00 C ATOM 1241 O GLU A 84 -5.702 18.771 4.138 1.00 0.00 O ATOM 1242 CB GLU A 84 -3.602 19.004 1.689 1.00 0.00 C ATOM 1243 CG GLU A 84 -2.283 18.710 0.971 1.00 0.00 C ATOM 1244 CD GLU A 84 -1.799 19.935 0.191 1.00 0.00 C ATOM 1245 OE1 GLU A 84 -1.131 20.782 0.822 1.00 0.00 O ATOM 1246 OE2 GLU A 84 -2.108 19.996 -1.019 1.00 0.00 O ATOM 0 H GLU A 84 -5.332 17.131 1.647 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.870 17.616 3.130 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.427 18.952 0.978 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.586 20.019 2.085 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.527 18.415 1.698 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.415 17.869 0.290 1.00 0.00 H new ATOM 1253 N GLU A 85 -3.620 19.193 4.916 1.00 0.00 N ATOM 1254 CA GLU A 85 -4.085 19.875 6.111 1.00 0.00 C ATOM 1255 C GLU A 85 -5.245 19.105 6.745 1.00 0.00 C ATOM 1256 O GLU A 85 -5.530 17.974 6.355 1.00 0.00 O ATOM 1257 CB GLU A 85 -4.491 21.317 5.797 1.00 0.00 C ATOM 1258 CG GLU A 85 -6.004 21.431 5.604 1.00 0.00 C ATOM 1259 CD GLU A 85 -6.347 22.541 4.608 1.00 0.00 C ATOM 1260 OE1 GLU A 85 -5.857 22.448 3.462 1.00 0.00 O ATOM 1261 OE2 GLU A 85 -7.093 23.458 5.016 1.00 0.00 O ATOM 0 H GLU A 85 -2.606 19.133 4.827 1.00 0.00 H new ATOM 0 HA GLU A 85 -3.264 19.911 6.827 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -4.174 21.973 6.608 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -3.979 21.655 4.896 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -6.401 20.481 5.247 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -6.482 21.636 6.562 1.00 0.00 H new ATOM 1268 N GLU A 86 -5.883 19.749 7.711 1.00 0.00 N ATOM 1269 CA GLU A 86 -7.006 19.139 8.403 1.00 0.00 C ATOM 1270 C GLU A 86 -6.564 17.850 9.099 1.00 0.00 C ATOM 1271 O GLU A 86 -6.070 16.928 8.451 1.00 0.00 O ATOM 1272 CB GLU A 86 -8.164 18.871 7.439 1.00 0.00 C ATOM 1273 CG GLU A 86 -9.492 19.348 8.031 1.00 0.00 C ATOM 1274 CD GLU A 86 -9.671 20.855 7.832 1.00 0.00 C ATOM 1275 OE1 GLU A 86 -10.236 21.225 6.781 1.00 0.00 O ATOM 1276 OE2 GLU A 86 -9.239 21.602 8.736 1.00 0.00 O ATOM 0 H GLU A 86 -5.644 20.687 8.031 1.00 0.00 H new ATOM 0 HA GLU A 86 -7.361 19.836 9.162 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -7.980 19.380 6.493 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -8.221 17.805 7.221 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -10.317 18.815 7.559 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -9.526 19.111 9.094 1.00 0.00 H new ATOM 1283 N SER A 87 -6.757 17.827 10.410 1.00 0.00 N ATOM 1284 CA SER A 87 -6.384 16.667 11.201 1.00 0.00 C ATOM 1285 C SER A 87 -7.269 16.576 12.446 1.00 0.00 C ATOM 1286 O SER A 87 -7.465 17.568 13.146 1.00 0.00 O ATOM 1287 CB SER A 87 -4.908 16.725 11.602 1.00 0.00 C ATOM 1288 OG SER A 87 -4.517 15.586 12.364 1.00 0.00 O ATOM 0 H SER A 87 -7.167 18.593 10.944 1.00 0.00 H new ATOM 0 HA SER A 87 -6.532 15.776 10.592 1.00 0.00 H new ATOM 0 HB2 SER A 87 -4.291 16.791 10.706 1.00 0.00 H new ATOM 0 HB3 SER A 87 -4.725 17.630 12.182 1.00 0.00 H new ATOM 0 HG SER A 87 -3.568 15.660 12.599 1.00 0.00 H new ATOM 1294 N ASP A 88 -7.780 15.377 12.683 1.00 0.00 N ATOM 1295 CA ASP A 88 -8.640 15.143 13.831 1.00 0.00 C ATOM 1296 C ASP A 88 -7.814 15.262 15.113 1.00 0.00 C ATOM 1297 O ASP A 88 -7.265 14.273 15.596 1.00 0.00 O ATOM 1298 CB ASP A 88 -9.247 13.740 13.788 1.00 0.00 C ATOM 1299 CG ASP A 88 -10.319 13.466 14.844 1.00 0.00 C ATOM 1300 OD1 ASP A 88 -9.969 13.545 16.042 1.00 0.00 O ATOM 1301 OD2 ASP A 88 -11.465 13.185 14.431 1.00 0.00 O ATOM 0 H ASP A 88 -7.615 14.557 12.100 1.00 0.00 H new ATOM 0 HA ASP A 88 -9.441 15.882 13.809 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -9.681 13.578 12.801 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -8.446 13.010 13.907 1.00 0.00 H new ATOM 1306 N LYS A 89 -7.752 16.481 15.628 1.00 0.00 N ATOM 1307 CA LYS A 89 -7.002 16.742 16.846 1.00 0.00 C ATOM 1308 C LYS A 89 -7.682 16.035 18.020 1.00 0.00 C ATOM 1309 O LYS A 89 -8.908 16.041 18.127 1.00 0.00 O ATOM 1310 CB LYS A 89 -6.824 18.247 17.053 1.00 0.00 C ATOM 1311 CG LYS A 89 -5.554 18.749 16.365 1.00 0.00 C ATOM 1312 CD LYS A 89 -4.356 18.690 17.315 1.00 0.00 C ATOM 1313 CE LYS A 89 -3.418 17.539 16.944 1.00 0.00 C ATOM 1314 NZ LYS A 89 -2.034 18.033 16.773 1.00 0.00 N ATOM 0 H LYS A 89 -8.209 17.299 15.225 1.00 0.00 H new ATOM 0 HA LYS A 89 -5.994 16.333 16.768 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -7.690 18.777 16.657 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -6.776 18.468 18.119 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -5.352 18.144 15.481 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -5.702 19.774 16.023 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -3.812 19.634 17.279 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -4.706 18.563 18.340 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -3.444 16.776 17.721 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -3.759 17.067 16.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -1.411 17.239 16.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -2.011 18.745 16.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -1.706 18.462 17.662 1.00 0.00 H new ATOM 1328 N ARG A 90 -6.858 15.442 18.870 1.00 0.00 N ATOM 1329 CA ARG A 90 -7.364 14.732 20.032 1.00 0.00 C ATOM 1330 C ARG A 90 -7.157 15.568 21.297 1.00 0.00 C ATOM 1331 O ARG A 90 -8.109 15.847 22.024 1.00 0.00 O ATOM 1332 CB ARG A 90 -6.665 13.382 20.201 1.00 0.00 C ATOM 1333 CG ARG A 90 -7.685 12.245 20.302 1.00 0.00 C ATOM 1334 CD ARG A 90 -7.021 10.956 20.790 1.00 0.00 C ATOM 1335 NE ARG A 90 -7.676 10.488 22.032 1.00 0.00 N ATOM 1336 CZ ARG A 90 -8.817 9.785 22.060 1.00 0.00 C ATOM 1337 NH1 ARG A 90 -9.435 9.464 20.916 1.00 0.00 N ATOM 1338 NH2 ARG A 90 -9.339 9.402 23.234 1.00 0.00 N ATOM 0 H ARG A 90 -5.842 15.438 18.777 1.00 0.00 H new ATOM 0 HA ARG A 90 -8.429 14.559 19.877 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -6.000 13.205 19.356 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.044 13.399 21.097 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -8.485 12.528 20.987 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -8.144 12.076 19.328 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.091 10.187 20.020 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.960 11.130 20.972 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.232 10.714 22.922 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -9.037 9.754 20.023 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -10.303 8.929 20.938 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.868 9.646 24.105 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -10.207 8.867 23.256 1.00 0.00 H new ATOM 1352 N GLU A 91 -5.906 15.943 21.521 1.00 0.00 N ATOM 1353 CA GLU A 91 -5.561 16.741 22.685 1.00 0.00 C ATOM 1354 C GLU A 91 -4.192 17.397 22.493 1.00 0.00 C ATOM 1355 O GLU A 91 -3.221 16.725 22.150 1.00 0.00 O ATOM 1356 CB GLU A 91 -5.589 15.894 23.959 1.00 0.00 C ATOM 1357 CG GLU A 91 -5.952 16.746 25.176 1.00 0.00 C ATOM 1358 CD GLU A 91 -7.123 16.131 25.946 1.00 0.00 C ATOM 1359 OE1 GLU A 91 -8.274 16.457 25.584 1.00 0.00 O ATOM 1360 OE2 GLU A 91 -6.840 15.349 26.879 1.00 0.00 O ATOM 0 H GLU A 91 -5.119 15.709 20.916 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.307 17.528 22.795 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.313 15.086 23.847 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -4.615 15.430 24.113 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -5.087 16.835 25.833 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.213 17.754 24.854 1.00 0.00 H new ATOM 1367 N SER A 92 -4.159 18.702 22.721 1.00 0.00 N ATOM 1368 CA SER A 92 -2.925 19.456 22.578 1.00 0.00 C ATOM 1369 C SER A 92 -2.724 20.366 23.790 1.00 0.00 C ATOM 1370 O SER A 92 -3.471 21.324 23.983 1.00 0.00 O ATOM 1371 CB SER A 92 -2.931 20.281 21.289 1.00 0.00 C ATOM 1372 OG SER A 92 -3.152 19.471 20.138 1.00 0.00 O ATOM 0 H SER A 92 -4.967 19.256 23.004 1.00 0.00 H new ATOM 0 HA SER A 92 -2.097 18.750 22.522 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.707 21.044 21.350 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.979 20.803 21.188 1.00 0.00 H new ATOM 0 HG SER A 92 -3.150 20.035 19.336 1.00 0.00 H new ATOM 1378 N GLU A 93 -1.711 20.035 24.577 1.00 0.00 N ATOM 1379 CA GLU A 93 -1.402 20.811 25.766 1.00 0.00 C ATOM 1380 C GLU A 93 -0.019 20.434 26.302 1.00 0.00 C ATOM 1381 O GLU A 93 0.308 19.253 26.407 1.00 0.00 O ATOM 1382 CB GLU A 93 -2.476 20.622 26.839 1.00 0.00 C ATOM 1383 CG GLU A 93 -2.485 21.797 27.819 1.00 0.00 C ATOM 1384 CD GLU A 93 -3.159 21.407 29.136 1.00 0.00 C ATOM 1385 OE1 GLU A 93 -2.581 20.547 29.836 1.00 0.00 O ATOM 1386 OE2 GLU A 93 -4.236 21.977 29.413 1.00 0.00 O ATOM 0 H GLU A 93 -1.093 19.240 24.415 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.389 21.866 25.494 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.454 20.530 26.367 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.295 19.694 27.381 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.463 22.122 28.012 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -3.010 22.642 27.374 1.00 0.00 H new ATOM 1393 N SER A 94 0.755 21.459 26.627 1.00 0.00 N ATOM 1394 CA SER A 94 2.094 21.249 27.149 1.00 0.00 C ATOM 1395 C SER A 94 2.151 21.656 28.623 1.00 0.00 C ATOM 1396 O SER A 94 1.225 22.286 29.133 1.00 0.00 O ATOM 1397 CB SER A 94 3.130 22.035 26.341 1.00 0.00 C ATOM 1398 OG SER A 94 4.202 21.207 25.900 1.00 0.00 O ATOM 0 H SER A 94 0.480 22.437 26.539 1.00 0.00 H new ATOM 0 HA SER A 94 2.333 20.189 27.062 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.646 22.492 25.478 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.526 22.847 26.951 1.00 0.00 H new ATOM 0 HG SER A 94 4.841 21.745 25.387 1.00 0.00 H new ATOM 1404 N GLY A 95 3.246 21.280 29.266 1.00 0.00 N ATOM 1405 CA GLY A 95 3.436 21.598 30.671 1.00 0.00 C ATOM 1406 C GLY A 95 4.922 21.734 31.007 1.00 0.00 C ATOM 1407 O GLY A 95 5.774 21.201 30.298 1.00 0.00 O ATOM 0 H GLY A 95 4.011 20.758 28.840 1.00 0.00 H new ATOM 0 HA2 GLY A 95 2.919 22.527 30.910 1.00 0.00 H new ATOM 0 HA3 GLY A 95 2.990 20.817 31.288 1.00 0.00 H new ATOM 1411 N PRO A 96 5.196 22.471 32.117 1.00 0.00 N ATOM 1412 CA PRO A 96 6.564 22.684 32.556 1.00 0.00 C ATOM 1413 C PRO A 96 7.133 21.423 33.210 1.00 0.00 C ATOM 1414 O PRO A 96 6.526 20.355 33.141 1.00 0.00 O ATOM 1415 CB PRO A 96 6.492 23.866 33.509 1.00 0.00 C ATOM 1416 CG PRO A 96 5.036 23.976 33.928 1.00 0.00 C ATOM 1417 CD PRO A 96 4.212 23.117 32.981 1.00 0.00 C ATOM 0 HA PRO A 96 7.242 22.896 31.730 1.00 0.00 H new ATOM 0 HB2 PRO A 96 7.136 23.710 34.374 1.00 0.00 H new ATOM 0 HB3 PRO A 96 6.828 24.781 33.022 1.00 0.00 H new ATOM 0 HG2 PRO A 96 4.908 23.640 34.957 1.00 0.00 H new ATOM 0 HG3 PRO A 96 4.705 25.014 33.888 1.00 0.00 H new ATOM 0 HD2 PRO A 96 3.620 22.382 33.526 1.00 0.00 H new ATOM 0 HD3 PRO A 96 3.514 23.722 32.403 1.00 0.00 H new ATOM 1425 N SER A 97 8.293 21.588 33.830 1.00 0.00 N ATOM 1426 CA SER A 97 8.950 20.476 34.495 1.00 0.00 C ATOM 1427 C SER A 97 9.792 20.991 35.664 1.00 0.00 C ATOM 1428 O SER A 97 9.584 20.590 36.808 1.00 0.00 O ATOM 1429 CB SER A 97 9.824 19.688 33.517 1.00 0.00 C ATOM 1430 OG SER A 97 10.682 20.539 32.763 1.00 0.00 O ATOM 0 H SER A 97 8.794 22.475 33.885 1.00 0.00 H new ATOM 0 HA SER A 97 8.182 19.803 34.877 1.00 0.00 H new ATOM 0 HB2 SER A 97 10.424 18.965 34.069 1.00 0.00 H new ATOM 0 HB3 SER A 97 9.187 19.121 32.838 1.00 0.00 H new ATOM 0 HG SER A 97 11.225 19.998 32.152 1.00 0.00 H new ATOM 1436 N SER A 98 10.727 21.871 35.337 1.00 0.00 N ATOM 1437 CA SER A 98 11.602 22.444 36.345 1.00 0.00 C ATOM 1438 C SER A 98 12.675 21.430 36.745 1.00 0.00 C ATOM 1439 O SER A 98 13.034 20.557 35.956 1.00 0.00 O ATOM 1440 CB SER A 98 10.807 22.889 37.575 1.00 0.00 C ATOM 1441 OG SER A 98 11.443 23.963 38.262 1.00 0.00 O ATOM 0 H SER A 98 10.898 22.201 34.387 1.00 0.00 H new ATOM 0 HA SER A 98 12.084 23.324 35.919 1.00 0.00 H new ATOM 0 HB2 SER A 98 9.807 23.196 37.269 1.00 0.00 H new ATOM 0 HB3 SER A 98 10.687 22.045 38.254 1.00 0.00 H new ATOM 0 HG SER A 98 10.904 24.219 39.039 1.00 0.00 H new ATOM 1447 N GLY A 99 13.156 21.578 37.971 1.00 0.00 N ATOM 1448 CA GLY A 99 14.181 20.685 38.485 1.00 0.00 C ATOM 1449 C GLY A 99 14.235 20.735 40.013 1.00 0.00 C ATOM 1450 O GLY A 99 13.272 21.146 40.659 1.00 0.00 O ATOM 0 H GLY A 99 12.855 22.302 38.623 1.00 0.00 H new ATOM 0 HA2 GLY A 99 13.978 19.665 38.158 1.00 0.00 H new ATOM 0 HA3 GLY A 99 15.151 20.964 38.074 1.00 0.00 H new TER 1454 GLY A 99