USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 842 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 LYS NZ :NH3+ 158:sc= -0.162 (180deg=-0.757) USER MOD Set 1.2: A 74 CYS SG : rot -25:sc= -0.161 USER MOD Single : A 1 SER N :NH3+ 159:sc= -0.0613 (180deg=-0.227) USER MOD Single : A 1 SER OG : rot 180:sc= 0.00226 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 CYS SG : rot 104:sc= 1.09 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl -134:sc= -5.3! (180deg=-8.7!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= -0.0497 USER MOD Single : A 15 LYS NZ :NH3+ 141:sc= 1.23 (180deg=-0.339) USER MOD Single : A 17 GLN : amide:sc= 0.199 K(o=0.2,f=-0.72) USER MOD Single : A 19 SER OG : rot 71:sc= 0.284 USER MOD Single : A 23 ASN :FLIP amide:sc= -1.6! F(o=-2.1,f=-1.6!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc=-0.00284 X(o=-0.0028,f=0) USER MOD Single : A 38 GLN : amide:sc= -1.59 X(o=-1.6,f=-1.7!) USER MOD Single : A 39 SER OG : rot -73:sc= 1.23 USER MOD Single : A 43 SER OG : rot -33:sc= 0.0604 USER MOD Single : A 45 LYS NZ :NH3+ -132:sc= -0.106 (180deg=-0.558) USER MOD Single : A 46 ASN :FLIP amide:sc= -0.218 F(o=-1.1,f=-0.22) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.276 K(o=-0.28,f=-1.6!) USER MOD Single : A 58 THR OG1 : rot -29:sc= -0.505 USER MOD Single : A 60 LYS NZ :NH3+ -169:sc= 1.56 (180deg=1.37) USER MOD Single : A 62 SER OG : rot 180:sc= -0.487 USER MOD Single : A 63 THR OG1 : rot 169:sc= 0.573 USER MOD Single : A 70 TYR OH : rot -24:sc= 0.89 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -90:sc= 1.24 USER MOD Single : A 77 LYS NZ :NH3+ 166:sc= -0.0382 (180deg=-0.243) USER MOD Single : A 78 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.417) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -0.126 K(o=-0.13,f=-5.1!) USER MOD Single : B 201 LYS NZ :NH3+ 165:sc= -0.0233 (180deg=-0.301) USER MOD Single : B 203 THR OG1 : rot 59:sc= 1.21 USER MOD Single : B 208 LYS NZ :NH3+ -155:sc= 2.45 (180deg=1.07) USER MOD Single : B 210 LYS NZ :NH3+ 167:sc= -0.0504 (180deg=-0.268) USER MOD Single : B 211 TYR OH : rot 180:sc= -0.0211 USER MOD Single : B 213 ASN : amide:sc= -0.0655 X(o=-0.065,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -23.114 10.389 7.259 1.00 0.00 N ATOM 2 CA SER A 1 -22.309 9.194 7.583 1.00 0.00 C ATOM 3 C SER A 1 -22.247 8.241 6.395 1.00 0.00 C ATOM 4 O SER A 1 -22.084 7.034 6.564 1.00 0.00 O ATOM 5 CB SER A 1 -22.919 8.480 8.791 1.00 0.00 C ATOM 6 OG SER A 1 -22.963 9.339 9.921 1.00 0.00 O ATOM 0 H1 SER A 1 -23.441 10.836 8.139 1.00 0.00 H new ATOM 0 H2 SER A 1 -22.533 11.064 6.723 1.00 0.00 H new ATOM 0 H3 SER A 1 -23.936 10.109 6.687 1.00 0.00 H new ATOM 0 HA SER A 1 -21.293 9.512 7.818 1.00 0.00 H new ATOM 0 HB2 SER A 1 -23.926 8.142 8.548 1.00 0.00 H new ATOM 0 HB3 SER A 1 -22.333 7.592 9.027 1.00 0.00 H new ATOM 0 HG SER A 1 -23.358 8.861 10.680 1.00 0.00 H new ATOM 14 N GLU A 2 -22.402 8.775 5.195 1.00 0.00 N ATOM 15 CA GLU A 2 -22.355 7.952 4.000 1.00 0.00 C ATOM 16 C GLU A 2 -20.984 7.996 3.323 1.00 0.00 C ATOM 17 O GLU A 2 -20.813 7.439 2.244 1.00 0.00 O ATOM 18 CB GLU A 2 -23.442 8.384 3.025 1.00 0.00 C ATOM 19 CG GLU A 2 -24.844 8.224 3.581 1.00 0.00 C ATOM 20 CD GLU A 2 -25.904 8.575 2.565 1.00 0.00 C ATOM 21 OE1 GLU A 2 -26.283 9.759 2.489 1.00 0.00 O ATOM 22 OE2 GLU A 2 -26.349 7.674 1.819 1.00 0.00 O ATOM 0 H GLU A 2 -22.560 9.768 5.024 1.00 0.00 H new ATOM 0 HA GLU A 2 -22.531 6.920 4.305 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -23.283 9.428 2.753 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -23.353 7.799 2.109 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -24.987 7.195 3.912 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -24.960 8.860 4.459 1.00 0.00 H new ATOM 29 N GLU A 3 -20.013 8.647 3.961 1.00 0.00 N ATOM 30 CA GLU A 3 -18.673 8.801 3.390 1.00 0.00 C ATOM 31 C GLU A 3 -18.045 7.436 3.121 1.00 0.00 C ATOM 32 O GLU A 3 -17.483 7.195 2.053 1.00 0.00 O ATOM 33 CB GLU A 3 -17.779 9.597 4.354 1.00 0.00 C ATOM 34 CG GLU A 3 -16.397 9.920 3.805 1.00 0.00 C ATOM 35 CD GLU A 3 -16.435 10.896 2.649 1.00 0.00 C ATOM 36 OE1 GLU A 3 -16.267 10.468 1.491 1.00 0.00 O ATOM 37 OE2 GLU A 3 -16.624 12.106 2.897 1.00 0.00 O ATOM 0 H GLU A 3 -20.129 9.079 4.878 1.00 0.00 H new ATOM 0 HA GLU A 3 -18.761 9.341 2.447 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -18.282 10.529 4.611 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -17.666 9.030 5.278 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -15.782 10.335 4.604 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -15.916 8.997 3.479 1.00 0.00 H new ATOM 44 N GLU A 4 -18.173 6.547 4.094 1.00 0.00 N ATOM 45 CA GLU A 4 -17.628 5.200 3.998 1.00 0.00 C ATOM 46 C GLU A 4 -18.255 4.422 2.841 1.00 0.00 C ATOM 47 O GLU A 4 -17.611 3.560 2.244 1.00 0.00 O ATOM 48 CB GLU A 4 -17.824 4.442 5.320 1.00 0.00 C ATOM 49 CG GLU A 4 -19.139 4.745 6.031 1.00 0.00 C ATOM 50 CD GLU A 4 -19.054 5.967 6.931 1.00 0.00 C ATOM 51 OE1 GLU A 4 -19.239 7.096 6.436 1.00 0.00 O ATOM 52 OE2 GLU A 4 -18.794 5.799 8.139 1.00 0.00 O ATOM 0 H GLU A 4 -18.657 6.738 4.972 1.00 0.00 H new ATOM 0 HA GLU A 4 -16.560 5.290 3.799 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -17.770 3.371 5.122 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -16.999 4.684 5.990 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -19.921 4.900 5.288 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -19.432 3.880 6.627 1.00 0.00 H new ATOM 59 N ASP A 5 -19.500 4.737 2.512 1.00 0.00 N ATOM 60 CA ASP A 5 -20.189 4.062 1.417 1.00 0.00 C ATOM 61 C ASP A 5 -20.160 4.909 0.154 1.00 0.00 C ATOM 62 O ASP A 5 -20.803 4.588 -0.844 1.00 0.00 O ATOM 63 CB ASP A 5 -21.636 3.735 1.796 1.00 0.00 C ATOM 64 CG ASP A 5 -21.731 2.615 2.813 1.00 0.00 C ATOM 65 OD1 ASP A 5 -22.208 2.865 3.941 1.00 0.00 O ATOM 66 OD2 ASP A 5 -21.323 1.476 2.495 1.00 0.00 O ATOM 0 H ASP A 5 -20.053 5.452 2.984 1.00 0.00 H new ATOM 0 HA ASP A 5 -19.663 3.127 1.223 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -22.113 4.628 2.199 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -22.189 3.455 0.899 1.00 0.00 H new ATOM 71 N LYS A 6 -19.405 5.993 0.201 1.00 0.00 N ATOM 72 CA LYS A 6 -19.283 6.896 -0.930 1.00 0.00 C ATOM 73 C LYS A 6 -17.911 6.723 -1.571 1.00 0.00 C ATOM 74 O LYS A 6 -17.581 7.373 -2.565 1.00 0.00 O ATOM 75 CB LYS A 6 -19.485 8.337 -0.456 1.00 0.00 C ATOM 76 CG LYS A 6 -19.649 9.353 -1.573 1.00 0.00 C ATOM 77 CD LYS A 6 -19.935 10.739 -1.015 1.00 0.00 C ATOM 78 CE LYS A 6 -18.779 11.254 -0.170 1.00 0.00 C ATOM 79 NZ LYS A 6 -19.073 12.577 0.437 1.00 0.00 N ATOM 0 H LYS A 6 -18.862 6.271 1.019 1.00 0.00 H new ATOM 0 HA LYS A 6 -20.045 6.666 -1.674 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -20.366 8.375 0.184 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -18.632 8.626 0.158 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -18.743 9.381 -2.179 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -20.463 9.047 -2.230 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -20.122 11.431 -1.836 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -20.842 10.708 -0.411 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -18.560 10.535 0.619 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -17.885 11.331 -0.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -18.258 12.888 1.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -19.257 13.271 -0.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -19.910 12.500 1.049 1.00 0.00 H new ATOM 93 N CYS A 7 -17.125 5.829 -0.987 1.00 0.00 N ATOM 94 CA CYS A 7 -15.776 5.541 -1.450 1.00 0.00 C ATOM 95 C CYS A 7 -15.770 5.132 -2.921 1.00 0.00 C ATOM 96 O CYS A 7 -16.576 4.301 -3.353 1.00 0.00 O ATOM 97 CB CYS A 7 -15.173 4.427 -0.595 1.00 0.00 C ATOM 98 SG CYS A 7 -15.065 4.825 1.165 1.00 0.00 S ATOM 0 H CYS A 7 -17.407 5.281 -0.175 1.00 0.00 H new ATOM 0 HA CYS A 7 -15.177 6.446 -1.353 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -15.773 3.525 -0.717 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -14.174 4.198 -0.967 1.00 0.00 H new ATOM 0 HG CYS A 7 -16.009 4.205 1.809 1.00 0.00 H new ATOM 104 N LYS A 8 -14.870 5.727 -3.686 1.00 0.00 N ATOM 105 CA LYS A 8 -14.719 5.405 -5.088 1.00 0.00 C ATOM 106 C LYS A 8 -13.532 4.467 -5.285 1.00 0.00 C ATOM 107 O LYS A 8 -12.519 4.574 -4.591 1.00 0.00 O ATOM 108 CB LYS A 8 -14.546 6.698 -5.897 1.00 0.00 C ATOM 109 CG LYS A 8 -13.729 6.540 -7.169 1.00 0.00 C ATOM 110 CD LYS A 8 -13.818 7.767 -8.060 1.00 0.00 C ATOM 111 CE LYS A 8 -13.249 9.006 -7.386 1.00 0.00 C ATOM 112 NZ LYS A 8 -13.370 10.206 -8.254 1.00 0.00 N ATOM 0 H LYS A 8 -14.227 6.444 -3.350 1.00 0.00 H new ATOM 0 HA LYS A 8 -15.613 4.893 -5.444 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -15.532 7.083 -6.159 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -14.069 7.447 -5.264 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -12.687 6.356 -6.909 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -14.080 5.667 -7.719 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.279 7.580 -8.989 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -14.860 7.946 -8.327 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -13.772 9.182 -6.446 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -12.200 8.838 -7.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -12.972 11.032 -7.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -12.850 10.047 -9.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -14.373 10.380 -8.467 1.00 0.00 H new ATOM 126 N PRO A 9 -13.660 3.520 -6.224 1.00 0.00 N ATOM 127 CA PRO A 9 -12.597 2.564 -6.546 1.00 0.00 C ATOM 128 C PRO A 9 -11.321 3.262 -6.999 1.00 0.00 C ATOM 129 O PRO A 9 -11.361 4.227 -7.763 1.00 0.00 O ATOM 130 CB PRO A 9 -13.188 1.724 -7.686 1.00 0.00 C ATOM 131 CG PRO A 9 -14.335 2.522 -8.214 1.00 0.00 C ATOM 132 CD PRO A 9 -14.855 3.320 -7.053 1.00 0.00 C ATOM 0 HA PRO A 9 -12.309 1.969 -5.679 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -12.447 1.540 -8.464 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.520 0.750 -7.325 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -14.014 3.176 -9.025 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -15.110 1.871 -8.618 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -15.285 4.268 -7.376 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -15.635 2.784 -6.513 1.00 0.00 H new ATOM 140 N MET A 10 -10.195 2.781 -6.496 1.00 0.00 N ATOM 141 CA MET A 10 -8.903 3.342 -6.836 1.00 0.00 C ATOM 142 C MET A 10 -8.547 3.005 -8.281 1.00 0.00 C ATOM 143 O MET A 10 -8.389 1.834 -8.632 1.00 0.00 O ATOM 144 CB MET A 10 -7.827 2.824 -5.884 1.00 0.00 C ATOM 145 CG MET A 10 -6.518 3.570 -6.032 1.00 0.00 C ATOM 146 SD MET A 10 -6.577 5.237 -5.355 1.00 0.00 S ATOM 147 CE MET A 10 -5.969 4.969 -3.698 1.00 0.00 C ATOM 0 H MET A 10 -10.154 1.996 -5.846 1.00 0.00 H new ATOM 0 HA MET A 10 -8.956 4.426 -6.734 1.00 0.00 H new ATOM 0 HB2 MET A 10 -8.180 2.915 -4.857 1.00 0.00 H new ATOM 0 HB3 MET A 10 -7.661 1.763 -6.071 1.00 0.00 H new ATOM 0 HG2 MET A 10 -5.728 3.009 -5.533 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.253 3.622 -7.088 1.00 0.00 H new ATOM 0 HE1 MET A 10 -6.609 5.491 -2.987 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.975 3.902 -3.476 1.00 0.00 H new ATOM 0 HE3 MET A 10 -4.951 5.350 -3.618 1.00 0.00 H new ATOM 157 N SER A 11 -8.435 4.036 -9.115 1.00 0.00 N ATOM 158 CA SER A 11 -8.177 3.851 -10.542 1.00 0.00 C ATOM 159 C SER A 11 -6.767 3.314 -10.784 1.00 0.00 C ATOM 160 O SER A 11 -5.937 3.320 -9.876 1.00 0.00 O ATOM 161 CB SER A 11 -8.375 5.171 -11.292 1.00 0.00 C ATOM 162 OG SER A 11 -9.646 5.730 -11.004 1.00 0.00 O ATOM 0 H SER A 11 -8.519 5.011 -8.827 1.00 0.00 H new ATOM 0 HA SER A 11 -8.888 3.116 -10.920 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.591 5.875 -11.011 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.282 5.002 -12.365 1.00 0.00 H new ATOM 0 HG SER A 11 -9.751 6.573 -11.492 1.00 0.00 H new ATOM 168 N TYR A 12 -6.498 2.854 -12.005 1.00 0.00 N ATOM 169 CA TYR A 12 -5.202 2.256 -12.339 1.00 0.00 C ATOM 170 C TYR A 12 -4.044 3.189 -12.006 1.00 0.00 C ATOM 171 O TYR A 12 -3.141 2.820 -11.250 1.00 0.00 O ATOM 172 CB TYR A 12 -5.157 1.861 -13.823 1.00 0.00 C ATOM 173 CG TYR A 12 -3.752 1.708 -14.376 1.00 0.00 C ATOM 174 CD1 TYR A 12 -2.795 0.937 -13.723 1.00 0.00 C ATOM 175 CD2 TYR A 12 -3.381 2.352 -15.547 1.00 0.00 C ATOM 176 CE1 TYR A 12 -1.516 0.816 -14.217 1.00 0.00 C ATOM 177 CE2 TYR A 12 -2.103 2.233 -16.053 1.00 0.00 C ATOM 178 CZ TYR A 12 -1.174 1.465 -15.386 1.00 0.00 C ATOM 179 OH TYR A 12 0.101 1.346 -15.893 1.00 0.00 O ATOM 0 H TYR A 12 -7.159 2.883 -12.781 1.00 0.00 H new ATOM 0 HA TYR A 12 -5.090 1.360 -11.729 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -5.693 0.921 -13.955 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -5.686 2.615 -14.406 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -3.061 0.424 -12.811 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -4.105 2.957 -16.072 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -0.785 0.217 -13.694 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.832 2.740 -16.968 1.00 0.00 H new ATOM 0 HH TYR A 12 0.173 1.865 -16.721 1.00 0.00 H new ATOM 189 N GLU A 13 -4.071 4.391 -12.564 1.00 0.00 N ATOM 190 CA GLU A 13 -2.989 5.347 -12.362 1.00 0.00 C ATOM 191 C GLU A 13 -2.831 5.698 -10.887 1.00 0.00 C ATOM 192 O GLU A 13 -1.751 6.090 -10.445 1.00 0.00 O ATOM 193 CB GLU A 13 -3.238 6.604 -13.194 1.00 0.00 C ATOM 194 CG GLU A 13 -3.113 6.357 -14.688 1.00 0.00 C ATOM 195 CD GLU A 13 -3.691 7.481 -15.516 1.00 0.00 C ATOM 196 OE1 GLU A 13 -3.094 8.576 -15.544 1.00 0.00 O ATOM 197 OE2 GLU A 13 -4.749 7.271 -16.150 1.00 0.00 O ATOM 0 H GLU A 13 -4.828 4.728 -13.159 1.00 0.00 H new ATOM 0 HA GLU A 13 -2.058 4.886 -12.692 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -4.235 6.987 -12.976 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.528 7.377 -12.898 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.061 6.227 -14.944 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.620 5.426 -14.942 1.00 0.00 H new ATOM 204 N GLU A 14 -3.897 5.517 -10.121 1.00 0.00 N ATOM 205 CA GLU A 14 -3.847 5.772 -8.698 1.00 0.00 C ATOM 206 C GLU A 14 -3.237 4.580 -7.995 1.00 0.00 C ATOM 207 O GLU A 14 -2.356 4.731 -7.164 1.00 0.00 O ATOM 208 CB GLU A 14 -5.241 6.039 -8.141 1.00 0.00 C ATOM 209 CG GLU A 14 -5.864 7.352 -8.576 1.00 0.00 C ATOM 210 CD GLU A 14 -7.200 7.596 -7.900 1.00 0.00 C ATOM 211 OE1 GLU A 14 -7.261 8.434 -6.968 1.00 0.00 O ATOM 212 OE2 GLU A 14 -8.193 6.940 -8.280 1.00 0.00 O ATOM 0 H GLU A 14 -4.802 5.195 -10.464 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.235 6.657 -8.526 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.899 5.224 -8.443 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.191 6.021 -7.052 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.184 8.171 -8.343 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.000 7.349 -9.658 1.00 0.00 H new ATOM 219 N LYS A 15 -3.727 3.395 -8.339 1.00 0.00 N ATOM 220 CA LYS A 15 -3.182 2.150 -7.843 1.00 0.00 C ATOM 221 C LYS A 15 -1.678 2.063 -8.034 1.00 0.00 C ATOM 222 O LYS A 15 -0.938 1.818 -7.083 1.00 0.00 O ATOM 223 CB LYS A 15 -3.837 0.971 -8.548 1.00 0.00 C ATOM 224 CG LYS A 15 -5.227 0.643 -8.040 1.00 0.00 C ATOM 225 CD LYS A 15 -5.620 -0.758 -8.460 1.00 0.00 C ATOM 226 CE LYS A 15 -6.841 -1.269 -7.719 1.00 0.00 C ATOM 227 NZ LYS A 15 -7.458 -2.418 -8.435 1.00 0.00 N ATOM 0 H LYS A 15 -4.517 3.277 -8.973 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.392 2.117 -6.774 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.893 1.184 -9.615 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.202 0.093 -8.431 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.254 0.726 -6.953 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.945 1.363 -8.433 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.819 -0.770 -9.532 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.783 -1.434 -8.284 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.558 -1.574 -6.711 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.571 -0.466 -7.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.781 -3.125 -7.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.269 -2.084 -8.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.756 -2.850 -9.069 1.00 0.00 H new ATOM 241 N ARG A 16 -1.232 2.254 -9.266 1.00 0.00 N ATOM 242 CA ARG A 16 0.184 2.158 -9.577 1.00 0.00 C ATOM 243 C ARG A 16 0.968 3.215 -8.827 1.00 0.00 C ATOM 244 O ARG A 16 2.061 2.937 -8.323 1.00 0.00 O ATOM 245 CB ARG A 16 0.419 2.269 -11.093 1.00 0.00 C ATOM 246 CG ARG A 16 1.853 2.558 -11.502 1.00 0.00 C ATOM 247 CD ARG A 16 2.042 2.329 -12.990 1.00 0.00 C ATOM 248 NE ARG A 16 1.785 0.938 -13.371 1.00 0.00 N ATOM 249 CZ ARG A 16 2.468 0.289 -14.314 1.00 0.00 C ATOM 250 NH1 ARG A 16 3.452 0.899 -14.964 1.00 0.00 N ATOM 251 NH2 ARG A 16 2.160 -0.965 -14.617 1.00 0.00 N ATOM 0 H ARG A 16 -1.828 2.476 -10.063 1.00 0.00 H new ATOM 0 HA ARG A 16 0.540 1.180 -9.254 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.104 1.338 -11.563 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.221 3.058 -11.488 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.107 3.588 -11.252 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.533 1.917 -10.941 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.373 2.986 -13.545 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.060 2.599 -13.271 1.00 0.00 H new ATOM 0 HE ARG A 16 1.040 0.437 -12.887 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.687 1.866 -14.742 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.973 0.400 -15.685 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.399 -1.436 -14.128 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.685 -1.459 -15.339 1.00 0.00 H new ATOM 265 N GLN A 17 0.414 4.418 -8.717 1.00 0.00 N ATOM 266 CA GLN A 17 1.099 5.445 -7.971 1.00 0.00 C ATOM 267 C GLN A 17 1.085 5.087 -6.489 1.00 0.00 C ATOM 268 O GLN A 17 2.073 5.271 -5.805 1.00 0.00 O ATOM 269 CB GLN A 17 0.506 6.840 -8.234 1.00 0.00 C ATOM 270 CG GLN A 17 1.314 7.951 -7.592 1.00 0.00 C ATOM 271 CD GLN A 17 2.713 8.048 -8.164 1.00 0.00 C ATOM 272 OE1 GLN A 17 2.934 7.804 -9.353 1.00 0.00 O ATOM 273 NE2 GLN A 17 3.674 8.360 -7.311 1.00 0.00 N ATOM 0 H GLN A 17 -0.480 4.693 -9.124 1.00 0.00 H new ATOM 0 HA GLN A 17 2.134 5.493 -8.309 1.00 0.00 H new ATOM 0 HB2 GLN A 17 0.452 7.010 -9.309 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.515 6.873 -7.855 1.00 0.00 H new ATOM 0 HG2 GLN A 17 0.799 8.901 -7.735 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.374 7.779 -6.517 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.447 8.555 -6.336 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.642 8.406 -7.628 1.00 0.00 H new ATOM 282 N LEU A 18 -0.017 4.496 -6.037 1.00 0.00 N ATOM 283 CA LEU A 18 -0.180 4.065 -4.655 1.00 0.00 C ATOM 284 C LEU A 18 0.891 3.074 -4.269 1.00 0.00 C ATOM 285 O LEU A 18 1.551 3.233 -3.249 1.00 0.00 O ATOM 286 CB LEU A 18 -1.555 3.433 -4.434 1.00 0.00 C ATOM 287 CG LEU A 18 -2.503 4.189 -3.496 1.00 0.00 C ATOM 288 CD1 LEU A 18 -2.973 3.313 -2.355 1.00 0.00 C ATOM 289 CD2 LEU A 18 -1.860 5.439 -2.935 1.00 0.00 C ATOM 0 H LEU A 18 -0.827 4.302 -6.625 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.091 4.951 -4.027 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.043 3.327 -5.403 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.411 2.428 -4.038 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.364 4.478 -4.099 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.643 3.883 -1.711 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.502 2.448 -2.755 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.113 2.977 -1.776 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.564 5.946 -2.275 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.967 5.168 -2.372 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.585 6.105 -3.753 1.00 0.00 H new ATOM 301 N SER A 19 1.062 2.052 -5.096 1.00 0.00 N ATOM 302 CA SER A 19 2.083 1.054 -4.856 1.00 0.00 C ATOM 303 C SER A 19 3.453 1.727 -4.757 1.00 0.00 C ATOM 304 O SER A 19 4.347 1.260 -4.050 1.00 0.00 O ATOM 305 CB SER A 19 2.088 0.024 -5.978 1.00 0.00 C ATOM 306 OG SER A 19 0.778 -0.450 -6.239 1.00 0.00 O ATOM 0 H SER A 19 0.506 1.896 -5.937 1.00 0.00 H new ATOM 0 HA SER A 19 1.866 0.546 -3.916 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.505 0.468 -6.882 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.733 -0.811 -5.707 1.00 0.00 H new ATOM 0 HG SER A 19 0.253 0.258 -6.667 1.00 0.00 H new ATOM 312 N LEU A 20 3.597 2.829 -5.487 1.00 0.00 N ATOM 313 CA LEU A 20 4.811 3.639 -5.438 1.00 0.00 C ATOM 314 C LEU A 20 4.881 4.502 -4.167 1.00 0.00 C ATOM 315 O LEU A 20 5.879 4.460 -3.458 1.00 0.00 O ATOM 316 CB LEU A 20 4.908 4.521 -6.684 1.00 0.00 C ATOM 317 CG LEU A 20 5.110 3.766 -7.996 1.00 0.00 C ATOM 318 CD1 LEU A 20 4.990 4.705 -9.187 1.00 0.00 C ATOM 319 CD2 LEU A 20 6.459 3.079 -7.990 1.00 0.00 C ATOM 0 H LEU A 20 2.883 3.184 -6.124 1.00 0.00 H new ATOM 0 HA LEU A 20 5.659 2.955 -5.413 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.998 5.116 -6.761 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.735 5.219 -6.553 1.00 0.00 H new ATOM 0 HG LEU A 20 4.329 3.011 -8.088 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.138 4.143 -10.109 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.999 5.159 -9.194 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.747 5.486 -9.112 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.598 2.542 -8.928 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.246 3.824 -7.879 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.505 2.375 -7.159 1.00 0.00 H new ATOM 331 N ASP A 21 3.838 5.294 -3.881 1.00 0.00 N ATOM 332 CA ASP A 21 3.795 6.105 -2.674 1.00 0.00 C ATOM 333 C ASP A 21 4.041 5.238 -1.442 1.00 0.00 C ATOM 334 O ASP A 21 4.748 5.629 -0.506 1.00 0.00 O ATOM 335 CB ASP A 21 2.466 6.821 -2.536 1.00 0.00 C ATOM 336 CG ASP A 21 1.825 7.257 -3.837 1.00 0.00 C ATOM 337 OD1 ASP A 21 0.630 6.975 -4.040 1.00 0.00 O ATOM 338 OD2 ASP A 21 2.501 7.944 -4.639 1.00 0.00 O ATOM 0 H ASP A 21 3.015 5.385 -4.476 1.00 0.00 H new ATOM 0 HA ASP A 21 4.582 6.855 -2.753 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.772 6.165 -2.011 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.610 7.701 -1.909 1.00 0.00 H new ATOM 343 N ILE A 22 3.476 4.045 -1.478 1.00 0.00 N ATOM 344 CA ILE A 22 3.629 3.072 -0.405 1.00 0.00 C ATOM 345 C ILE A 22 5.069 2.565 -0.311 1.00 0.00 C ATOM 346 O ILE A 22 5.588 2.353 0.781 1.00 0.00 O ATOM 347 CB ILE A 22 2.648 1.890 -0.587 1.00 0.00 C ATOM 348 CG1 ILE A 22 1.207 2.348 -0.342 1.00 0.00 C ATOM 349 CG2 ILE A 22 2.994 0.751 0.353 1.00 0.00 C ATOM 350 CD1 ILE A 22 0.172 1.359 -0.823 1.00 0.00 C ATOM 0 H ILE A 22 2.897 3.720 -2.252 1.00 0.00 H new ATOM 0 HA ILE A 22 3.390 3.577 0.531 1.00 0.00 H new ATOM 0 HB ILE A 22 2.738 1.533 -1.613 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.065 2.521 0.725 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.047 3.302 -0.843 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.290 -0.068 0.206 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.006 0.402 0.145 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.935 1.100 1.384 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.826 1.748 -0.618 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.288 1.204 -1.896 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.306 0.410 -0.303 1.00 0.00 H new ATOM 362 N ASN A 23 5.725 2.400 -1.449 1.00 0.00 N ATOM 363 CA ASN A 23 7.096 1.899 -1.460 1.00 0.00 C ATOM 364 C ASN A 23 8.096 3.019 -1.159 1.00 0.00 C ATOM 365 O ASN A 23 9.272 2.760 -0.901 1.00 0.00 O ATOM 366 CB ASN A 23 7.398 1.174 -2.790 1.00 0.00 C ATOM 367 CG ASN A 23 8.269 1.941 -3.793 1.00 0.00 C ATOM 368 OD1 ASN A 23 9.135 1.214 -4.493 1.00 0.00 O flip ATOM 369 ND2 ASN A 23 8.181 3.158 -3.940 1.00 0.00 N flip ATOM 0 H ASN A 23 5.337 2.603 -2.370 1.00 0.00 H new ATOM 0 HA ASN A 23 7.206 1.164 -0.662 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.889 0.228 -2.562 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.451 0.933 -3.272 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.508 3.691 -3.390 1.00 0.00 H new ATOM 0 HD22 ASN A 23 8.781 3.635 -4.613 1.00 0.00 H new ATOM 376 N LYS A 24 7.626 4.267 -1.195 1.00 0.00 N ATOM 377 CA LYS A 24 8.442 5.403 -0.779 1.00 0.00 C ATOM 378 C LYS A 24 8.683 5.367 0.720 1.00 0.00 C ATOM 379 O LYS A 24 9.709 5.849 1.207 1.00 0.00 O ATOM 380 CB LYS A 24 7.775 6.726 -1.132 1.00 0.00 C ATOM 381 CG LYS A 24 7.701 7.005 -2.617 1.00 0.00 C ATOM 382 CD LYS A 24 6.957 8.302 -2.881 1.00 0.00 C ATOM 383 CE LYS A 24 6.586 8.465 -4.341 1.00 0.00 C ATOM 384 NZ LYS A 24 7.777 8.639 -5.212 1.00 0.00 N ATOM 0 H LYS A 24 6.687 4.514 -1.507 1.00 0.00 H new ATOM 0 HA LYS A 24 9.390 5.328 -1.311 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.765 6.732 -0.722 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.321 7.536 -0.648 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.707 7.066 -3.032 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.197 6.181 -3.123 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.053 8.330 -2.273 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.576 9.143 -2.570 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.023 7.591 -4.670 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.929 9.328 -4.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.472 8.746 -6.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.301 9.487 -4.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.393 7.805 -5.129 1.00 0.00 H new ATOM 398 N LEU A 25 7.715 4.819 1.447 1.00 0.00 N ATOM 399 CA LEU A 25 7.799 4.720 2.892 1.00 0.00 C ATOM 400 C LEU A 25 9.024 3.926 3.324 1.00 0.00 C ATOM 401 O LEU A 25 9.475 3.016 2.624 1.00 0.00 O ATOM 402 CB LEU A 25 6.563 4.028 3.453 1.00 0.00 C ATOM 403 CG LEU A 25 5.218 4.527 2.946 1.00 0.00 C ATOM 404 CD1 LEU A 25 4.132 3.601 3.448 1.00 0.00 C ATOM 405 CD2 LEU A 25 4.953 5.951 3.412 1.00 0.00 C ATOM 0 H LEU A 25 6.857 4.435 1.051 1.00 0.00 H new ATOM 0 HA LEU A 25 7.871 5.737 3.278 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.638 2.963 3.231 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.578 4.130 4.538 1.00 0.00 H new ATOM 0 HG LEU A 25 5.227 4.532 1.856 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.163 3.949 3.090 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.314 2.592 3.078 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.135 3.594 4.538 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.985 6.283 3.036 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.949 5.982 4.502 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.735 6.609 3.033 1.00 0.00 H new ATOM 417 N PRO A 26 9.591 4.289 4.477 1.00 0.00 N ATOM 418 CA PRO A 26 10.612 3.477 5.132 1.00 0.00 C ATOM 419 C PRO A 26 10.060 2.102 5.516 1.00 0.00 C ATOM 420 O PRO A 26 8.846 1.953 5.684 1.00 0.00 O ATOM 421 CB PRO A 26 10.994 4.268 6.389 1.00 0.00 C ATOM 422 CG PRO A 26 10.368 5.621 6.253 1.00 0.00 C ATOM 423 CD PRO A 26 9.299 5.538 5.196 1.00 0.00 C ATOM 0 HA PRO A 26 11.465 3.294 4.478 1.00 0.00 H new ATOM 0 HB2 PRO A 26 10.636 3.764 7.287 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.077 4.350 6.480 1.00 0.00 H new ATOM 0 HG2 PRO A 26 9.940 5.939 7.203 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.119 6.362 5.978 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.303 5.518 5.639 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.333 6.398 4.528 1.00 0.00 H new ATOM 431 N GLY A 27 10.941 1.114 5.662 1.00 0.00 N ATOM 432 CA GLY A 27 10.513 -0.268 5.874 1.00 0.00 C ATOM 433 C GLY A 27 9.457 -0.424 6.959 1.00 0.00 C ATOM 434 O GLY A 27 8.465 -1.135 6.771 1.00 0.00 O ATOM 0 H GLY A 27 11.952 1.244 5.638 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.120 -0.665 4.938 1.00 0.00 H new ATOM 0 HA3 GLY A 27 11.382 -0.872 6.136 1.00 0.00 H new ATOM 438 N GLU A 28 9.667 0.255 8.082 1.00 0.00 N ATOM 439 CA GLU A 28 8.733 0.226 9.207 1.00 0.00 C ATOM 440 C GLU A 28 7.322 0.624 8.771 1.00 0.00 C ATOM 441 O GLU A 28 6.329 0.046 9.220 1.00 0.00 O ATOM 442 CB GLU A 28 9.219 1.190 10.298 1.00 0.00 C ATOM 443 CG GLU A 28 8.311 1.264 11.514 1.00 0.00 C ATOM 444 CD GLU A 28 8.318 -0.009 12.334 1.00 0.00 C ATOM 445 OE1 GLU A 28 9.385 -0.368 12.875 1.00 0.00 O ATOM 446 OE2 GLU A 28 7.252 -0.644 12.463 1.00 0.00 O ATOM 0 H GLU A 28 10.487 0.840 8.240 1.00 0.00 H new ATOM 0 HA GLU A 28 8.696 -0.793 9.592 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.214 0.884 10.620 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.315 2.187 9.869 1.00 0.00 H new ATOM 0 HG2 GLU A 28 8.623 2.097 12.144 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.292 1.475 11.188 1.00 0.00 H new ATOM 453 N LYS A 29 7.241 1.589 7.871 1.00 0.00 N ATOM 454 CA LYS A 29 5.965 2.164 7.487 1.00 0.00 C ATOM 455 C LYS A 29 5.203 1.275 6.512 1.00 0.00 C ATOM 456 O LYS A 29 3.976 1.302 6.478 1.00 0.00 O ATOM 457 CB LYS A 29 6.159 3.560 6.898 1.00 0.00 C ATOM 458 CG LYS A 29 6.308 4.688 7.934 1.00 0.00 C ATOM 459 CD LYS A 29 5.581 4.437 9.252 1.00 0.00 C ATOM 460 CE LYS A 29 5.822 5.593 10.207 1.00 0.00 C ATOM 461 NZ LYS A 29 5.752 6.908 9.516 1.00 0.00 N ATOM 0 H LYS A 29 8.047 1.991 7.392 1.00 0.00 H new ATOM 0 HA LYS A 29 5.363 2.242 8.392 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.045 3.550 6.264 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.309 3.788 6.255 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.368 4.836 8.141 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.935 5.615 7.499 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.512 4.321 9.071 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.932 3.507 9.699 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.082 5.563 11.007 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.800 5.480 10.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.548 7.655 10.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.662 7.105 9.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.997 6.885 8.801 1.00 0.00 H new ATOM 475 N LEU A 30 5.899 0.461 5.737 1.00 0.00 N ATOM 476 CA LEU A 30 5.195 -0.504 4.904 1.00 0.00 C ATOM 477 C LEU A 30 4.606 -1.600 5.785 1.00 0.00 C ATOM 478 O LEU A 30 3.720 -2.341 5.368 1.00 0.00 O ATOM 479 CB LEU A 30 6.083 -1.109 3.820 1.00 0.00 C ATOM 480 CG LEU A 30 6.515 -0.167 2.704 1.00 0.00 C ATOM 481 CD1 LEU A 30 7.947 0.268 2.896 1.00 0.00 C ATOM 482 CD2 LEU A 30 6.349 -0.839 1.350 1.00 0.00 C ATOM 0 H LEU A 30 6.916 0.445 5.665 1.00 0.00 H new ATOM 0 HA LEU A 30 4.397 0.028 4.387 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.978 -1.511 4.295 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.554 -1.950 3.373 1.00 0.00 H new ATOM 0 HG LEU A 30 5.878 0.717 2.739 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.235 0.940 2.088 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.045 0.785 3.850 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.597 -0.607 2.889 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.662 -0.153 0.563 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.963 -1.739 1.313 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.303 -1.107 1.203 1.00 0.00 H new ATOM 494 N GLY A 31 5.082 -1.669 7.025 1.00 0.00 N ATOM 495 CA GLY A 31 4.508 -2.581 7.997 1.00 0.00 C ATOM 496 C GLY A 31 3.092 -2.186 8.367 1.00 0.00 C ATOM 497 O GLY A 31 2.345 -2.964 8.957 1.00 0.00 O ATOM 0 H GLY A 31 5.858 -1.107 7.374 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.510 -3.593 7.592 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.128 -2.595 8.893 1.00 0.00 H new ATOM 501 N ARG A 32 2.735 -0.960 8.026 1.00 0.00 N ATOM 502 CA ARG A 32 1.378 -0.467 8.213 1.00 0.00 C ATOM 503 C ARG A 32 0.462 -0.925 7.079 1.00 0.00 C ATOM 504 O ARG A 32 -0.597 -1.487 7.329 1.00 0.00 O ATOM 505 CB ARG A 32 1.379 1.055 8.295 1.00 0.00 C ATOM 506 CG ARG A 32 0.006 1.678 8.077 1.00 0.00 C ATOM 507 CD ARG A 32 -0.591 2.200 9.368 1.00 0.00 C ATOM 508 NE ARG A 32 0.255 3.213 9.999 1.00 0.00 N ATOM 509 CZ ARG A 32 -0.211 4.345 10.527 1.00 0.00 C ATOM 510 NH1 ARG A 32 -1.514 4.602 10.512 1.00 0.00 N ATOM 511 NH2 ARG A 32 0.630 5.218 11.070 1.00 0.00 N ATOM 0 H ARG A 32 3.373 -0.279 7.613 1.00 0.00 H new ATOM 0 HA ARG A 32 0.997 -0.879 9.147 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.755 1.358 9.272 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.070 1.450 7.551 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.088 2.494 7.359 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.664 0.936 7.641 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.574 2.625 9.166 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.738 1.370 10.059 1.00 0.00 H new ATOM 0 HE ARG A 32 1.260 3.043 10.037 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.161 3.932 10.096 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -1.868 5.469 10.917 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.631 5.022 11.083 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.275 6.085 11.474 1.00 0.00 H new ATOM 525 N VAL A 33 0.865 -0.673 5.834 1.00 0.00 N ATOM 526 CA VAL A 33 0.060 -1.067 4.679 1.00 0.00 C ATOM 527 C VAL A 33 -0.148 -2.569 4.639 1.00 0.00 C ATOM 528 O VAL A 33 -1.243 -3.024 4.329 1.00 0.00 O ATOM 529 CB VAL A 33 0.669 -0.595 3.343 1.00 0.00 C ATOM 530 CG1 VAL A 33 0.331 0.863 3.096 1.00 0.00 C ATOM 531 CG2 VAL A 33 2.169 -0.791 3.326 1.00 0.00 C ATOM 0 H VAL A 33 1.738 -0.201 5.600 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.904 -0.573 4.801 1.00 0.00 H new ATOM 0 HB VAL A 33 0.238 -1.201 2.546 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.767 1.182 2.150 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.752 0.984 3.056 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.734 1.472 3.905 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.570 -0.449 2.372 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.620 -0.217 4.135 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.399 -1.848 3.459 1.00 0.00 H new ATOM 541 N VAL A 34 0.883 -3.343 4.967 1.00 0.00 N ATOM 542 CA VAL A 34 0.721 -4.782 5.042 1.00 0.00 C ATOM 543 C VAL A 34 -0.290 -5.126 6.132 1.00 0.00 C ATOM 544 O VAL A 34 -1.152 -5.967 5.933 1.00 0.00 O ATOM 545 CB VAL A 34 2.059 -5.522 5.278 1.00 0.00 C ATOM 546 CG1 VAL A 34 3.086 -5.118 4.238 1.00 0.00 C ATOM 547 CG2 VAL A 34 2.595 -5.288 6.676 1.00 0.00 C ATOM 0 H VAL A 34 1.820 -3.002 5.180 1.00 0.00 H new ATOM 0 HA VAL A 34 0.349 -5.124 4.076 1.00 0.00 H new ATOM 0 HB VAL A 34 1.862 -6.589 5.178 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.019 -5.650 4.422 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.716 -5.369 3.244 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.262 -4.044 4.299 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.535 -5.825 6.800 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.764 -4.222 6.827 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.872 -5.648 7.408 1.00 0.00 H new ATOM 557 N HIS A 35 -0.218 -4.417 7.257 1.00 0.00 N ATOM 558 CA HIS A 35 -1.170 -4.600 8.346 1.00 0.00 C ATOM 559 C HIS A 35 -2.580 -4.243 7.882 1.00 0.00 C ATOM 560 O HIS A 35 -3.531 -4.963 8.171 1.00 0.00 O ATOM 561 CB HIS A 35 -0.762 -3.753 9.560 1.00 0.00 C ATOM 562 CG HIS A 35 -1.767 -3.737 10.678 1.00 0.00 C ATOM 563 ND1 HIS A 35 -1.794 -4.676 11.687 1.00 0.00 N ATOM 564 CD2 HIS A 35 -2.775 -2.873 10.946 1.00 0.00 C ATOM 565 CE1 HIS A 35 -2.778 -4.392 12.522 1.00 0.00 C ATOM 566 NE2 HIS A 35 -3.388 -3.300 12.096 1.00 0.00 N ATOM 0 H HIS A 35 0.493 -3.708 7.437 1.00 0.00 H new ATOM 0 HA HIS A 35 -1.164 -5.648 8.645 1.00 0.00 H new ATOM 0 HB2 HIS A 35 0.186 -4.128 9.946 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -0.589 -2.729 9.230 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -3.046 -2.007 10.361 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -3.040 -4.957 13.404 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -4.184 -2.849 12.548 1.00 0.00 H new ATOM 575 N ILE A 36 -2.710 -3.131 7.162 1.00 0.00 N ATOM 576 CA ILE A 36 -3.999 -2.743 6.605 1.00 0.00 C ATOM 577 C ILE A 36 -4.483 -3.796 5.616 1.00 0.00 C ATOM 578 O ILE A 36 -5.508 -4.430 5.834 1.00 0.00 O ATOM 579 CB ILE A 36 -3.961 -1.373 5.891 1.00 0.00 C ATOM 580 CG1 ILE A 36 -3.629 -0.251 6.867 1.00 0.00 C ATOM 581 CG2 ILE A 36 -5.312 -1.113 5.248 1.00 0.00 C ATOM 582 CD1 ILE A 36 -3.321 1.063 6.183 1.00 0.00 C ATOM 0 H ILE A 36 -1.945 -2.489 6.953 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.684 -2.661 7.449 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.181 -1.397 5.130 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.468 -0.111 7.548 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.773 -0.547 7.473 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.294 -0.148 4.742 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.528 -1.899 4.524 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.085 -1.105 6.016 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.093 1.819 6.934 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.463 0.937 5.523 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.185 1.380 5.599 1.00 0.00 H new ATOM 594 N ILE A 37 -3.732 -3.985 4.543 1.00 0.00 N ATOM 595 CA ILE A 37 -4.089 -4.952 3.514 1.00 0.00 C ATOM 596 C ILE A 37 -4.393 -6.337 4.099 1.00 0.00 C ATOM 597 O ILE A 37 -5.449 -6.883 3.842 1.00 0.00 O ATOM 598 CB ILE A 37 -2.991 -5.075 2.451 1.00 0.00 C ATOM 599 CG1 ILE A 37 -3.037 -3.875 1.519 1.00 0.00 C ATOM 600 CG2 ILE A 37 -3.170 -6.355 1.667 1.00 0.00 C ATOM 601 CD1 ILE A 37 -1.700 -3.220 1.312 1.00 0.00 C ATOM 0 H ILE A 37 -2.866 -3.479 4.360 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.997 -4.572 3.045 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.019 -5.101 2.944 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.430 -4.191 0.553 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -3.734 -3.140 1.922 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.385 -6.433 0.914 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -3.110 -7.207 2.344 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.144 -6.348 1.177 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.811 -2.372 0.636 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.313 -2.872 2.270 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.005 -3.940 0.880 1.00 0.00 H new ATOM 613 N GLN A 38 -3.480 -6.889 4.895 1.00 0.00 N ATOM 614 CA GLN A 38 -3.653 -8.238 5.445 1.00 0.00 C ATOM 615 C GLN A 38 -4.932 -8.349 6.275 1.00 0.00 C ATOM 616 O GLN A 38 -5.643 -9.352 6.202 1.00 0.00 O ATOM 617 CB GLN A 38 -2.447 -8.624 6.307 1.00 0.00 C ATOM 618 CG GLN A 38 -1.208 -8.987 5.504 1.00 0.00 C ATOM 619 CD GLN A 38 0.066 -8.960 6.329 1.00 0.00 C ATOM 620 OE1 GLN A 38 0.188 -8.206 7.291 1.00 0.00 O ATOM 621 NE2 GLN A 38 1.026 -9.784 5.954 1.00 0.00 N ATOM 0 H GLN A 38 -2.614 -6.428 5.175 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.732 -8.924 4.602 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.207 -7.794 6.972 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.720 -9.470 6.938 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.337 -9.982 5.078 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.108 -8.294 4.669 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.888 -10.396 5.149 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.906 -9.809 6.469 1.00 0.00 H new ATOM 630 N SER A 39 -5.224 -7.319 7.062 1.00 0.00 N ATOM 631 CA SER A 39 -6.399 -7.319 7.909 1.00 0.00 C ATOM 632 C SER A 39 -7.677 -7.143 7.087 1.00 0.00 C ATOM 633 O SER A 39 -8.700 -7.783 7.355 1.00 0.00 O ATOM 634 CB SER A 39 -6.282 -6.211 8.957 1.00 0.00 C ATOM 635 OG SER A 39 -6.207 -4.930 8.359 1.00 0.00 O ATOM 0 H SER A 39 -4.658 -6.473 7.127 1.00 0.00 H new ATOM 0 HA SER A 39 -6.459 -8.284 8.412 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.142 -6.251 9.626 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.395 -6.380 9.568 1.00 0.00 H new ATOM 0 HG SER A 39 -5.328 -4.815 7.941 1.00 0.00 H new ATOM 641 N ARG A 40 -7.610 -6.273 6.087 1.00 0.00 N ATOM 642 CA ARG A 40 -8.754 -5.982 5.232 1.00 0.00 C ATOM 643 C ARG A 40 -8.962 -7.097 4.210 1.00 0.00 C ATOM 644 O ARG A 40 -10.086 -7.360 3.785 1.00 0.00 O ATOM 645 CB ARG A 40 -8.554 -4.639 4.517 1.00 0.00 C ATOM 646 CG ARG A 40 -8.291 -3.479 5.465 1.00 0.00 C ATOM 647 CD ARG A 40 -9.063 -2.230 5.075 1.00 0.00 C ATOM 648 NE ARG A 40 -10.512 -2.448 5.069 1.00 0.00 N ATOM 649 CZ ARG A 40 -11.412 -1.468 5.143 1.00 0.00 C ATOM 650 NH1 ARG A 40 -11.017 -0.203 5.222 1.00 0.00 N ATOM 651 NH2 ARG A 40 -12.707 -1.755 5.144 1.00 0.00 N ATOM 0 H ARG A 40 -6.767 -5.752 5.847 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.644 -5.919 5.859 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.718 -4.727 3.823 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.440 -4.418 3.922 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.565 -3.771 6.479 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.224 -3.256 5.475 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.822 -1.426 5.770 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.743 -1.903 4.086 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.852 -3.407 5.004 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.022 0.021 5.226 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.709 0.545 5.278 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.014 -2.726 5.088 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.396 -1.005 5.201 1.00 0.00 H new ATOM 665 N GLU A 41 -7.871 -7.743 3.825 1.00 0.00 N ATOM 666 CA GLU A 41 -7.897 -8.826 2.850 1.00 0.00 C ATOM 667 C GLU A 41 -7.487 -10.142 3.515 1.00 0.00 C ATOM 668 O GLU A 41 -6.316 -10.528 3.459 1.00 0.00 O ATOM 669 CB GLU A 41 -6.931 -8.529 1.701 1.00 0.00 C ATOM 670 CG GLU A 41 -7.048 -7.126 1.126 1.00 0.00 C ATOM 671 CD GLU A 41 -8.330 -6.903 0.351 1.00 0.00 C ATOM 672 OE1 GLU A 41 -8.655 -7.726 -0.528 1.00 0.00 O ATOM 673 OE2 GLU A 41 -9.013 -5.890 0.603 1.00 0.00 O ATOM 0 H GLU A 41 -6.939 -7.531 4.181 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.911 -8.911 2.460 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.910 -8.680 2.053 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.103 -9.251 0.903 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.992 -6.402 1.939 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.198 -6.937 0.471 1.00 0.00 H new ATOM 680 N PRO A 42 -8.435 -10.859 4.148 1.00 0.00 N ATOM 681 CA PRO A 42 -8.148 -12.120 4.862 1.00 0.00 C ATOM 682 C PRO A 42 -7.599 -13.235 3.959 1.00 0.00 C ATOM 683 O PRO A 42 -7.350 -14.352 4.417 1.00 0.00 O ATOM 684 CB PRO A 42 -9.511 -12.539 5.429 1.00 0.00 C ATOM 685 CG PRO A 42 -10.334 -11.299 5.426 1.00 0.00 C ATOM 686 CD PRO A 42 -9.858 -10.488 4.253 1.00 0.00 C ATOM 0 HA PRO A 42 -7.373 -11.965 5.612 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -9.969 -13.317 4.818 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -9.411 -12.943 6.437 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.394 -11.535 5.333 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -10.211 -10.747 6.358 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -10.407 -10.733 3.344 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -9.985 -9.419 4.424 1.00 0.00 H new ATOM 694 N SER A 43 -7.405 -12.934 2.685 1.00 0.00 N ATOM 695 CA SER A 43 -6.968 -13.933 1.724 1.00 0.00 C ATOM 696 C SER A 43 -5.442 -13.959 1.601 1.00 0.00 C ATOM 697 O SER A 43 -4.880 -14.887 1.020 1.00 0.00 O ATOM 698 CB SER A 43 -7.604 -13.656 0.352 1.00 0.00 C ATOM 699 OG SER A 43 -7.406 -14.740 -0.540 1.00 0.00 O ATOM 0 H SER A 43 -7.544 -12.003 2.292 1.00 0.00 H new ATOM 0 HA SER A 43 -7.292 -14.910 2.082 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.672 -13.475 0.475 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.173 -12.750 -0.074 1.00 0.00 H new ATOM 0 HG SER A 43 -6.540 -15.160 -0.357 1.00 0.00 H new ATOM 705 N LEU A 44 -4.765 -12.957 2.159 1.00 0.00 N ATOM 706 CA LEU A 44 -3.318 -12.861 1.992 1.00 0.00 C ATOM 707 C LEU A 44 -2.570 -12.802 3.325 1.00 0.00 C ATOM 708 O LEU A 44 -1.418 -12.369 3.378 1.00 0.00 O ATOM 709 CB LEU A 44 -2.960 -11.662 1.108 1.00 0.00 C ATOM 710 CG LEU A 44 -3.472 -10.304 1.561 1.00 0.00 C ATOM 711 CD1 LEU A 44 -2.465 -9.644 2.481 1.00 0.00 C ATOM 712 CD2 LEU A 44 -3.760 -9.430 0.351 1.00 0.00 C ATOM 0 H LEU A 44 -5.185 -12.215 2.719 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.993 -13.776 1.497 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.874 -11.608 1.031 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.342 -11.853 0.105 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.400 -10.438 2.117 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.844 -8.672 2.798 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.304 -10.274 3.356 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.522 -9.510 1.952 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.126 -8.459 0.683 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.845 -9.295 -0.226 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.515 -9.909 -0.272 1.00 0.00 H new ATOM 724 N LYS A 45 -3.194 -13.281 4.394 1.00 0.00 N ATOM 725 CA LYS A 45 -2.551 -13.259 5.707 1.00 0.00 C ATOM 726 C LYS A 45 -1.538 -14.397 5.836 1.00 0.00 C ATOM 727 O LYS A 45 -0.967 -14.620 6.903 1.00 0.00 O ATOM 728 CB LYS A 45 -3.579 -13.320 6.842 1.00 0.00 C ATOM 729 CG LYS A 45 -4.415 -14.587 6.862 1.00 0.00 C ATOM 730 CD LYS A 45 -5.673 -14.440 7.702 1.00 0.00 C ATOM 731 CE LYS A 45 -5.375 -14.497 9.194 1.00 0.00 C ATOM 732 NZ LYS A 45 -4.761 -15.792 9.592 1.00 0.00 N ATOM 0 H LYS A 45 -4.131 -13.684 4.382 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.020 -12.311 5.794 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.057 -13.228 7.794 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.245 -12.461 6.760 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.692 -14.852 5.842 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.815 -15.409 7.253 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.158 -13.493 7.465 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.376 -15.231 7.443 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.704 -13.681 9.461 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.298 -14.347 9.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.252 -16.166 10.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.845 -16.471 8.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.756 -15.645 9.817 1.00 0.00 H new ATOM 746 N ASN A 46 -1.333 -15.116 4.741 1.00 0.00 N ATOM 747 CA ASN A 46 -0.310 -16.155 4.677 1.00 0.00 C ATOM 748 C ASN A 46 1.066 -15.523 4.500 1.00 0.00 C ATOM 749 O ASN A 46 2.087 -16.119 4.848 1.00 0.00 O ATOM 750 CB ASN A 46 -0.591 -17.124 3.503 1.00 0.00 C ATOM 751 CG ASN A 46 -0.907 -16.385 2.212 1.00 0.00 C ATOM 752 OD1 ASN A 46 -2.184 -16.137 1.957 1.00 0.00 O flip ATOM 753 ND2 ASN A 46 -0.008 -16.044 1.446 1.00 0.00 N flip ATOM 0 H ASN A 46 -1.865 -14.999 3.879 1.00 0.00 H new ATOM 0 HA ASN A 46 -0.333 -16.717 5.610 1.00 0.00 H new ATOM 0 HB2 ASN A 46 0.276 -17.767 3.349 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -1.427 -17.773 3.762 1.00 0.00 H new ATOM 0 HD21 ASN A 46 0.964 -16.252 1.675 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -0.234 -15.553 0.581 1.00 0.00 H new ATOM 760 N SER A 47 1.086 -14.313 3.951 1.00 0.00 N ATOM 761 CA SER A 47 2.330 -13.600 3.732 1.00 0.00 C ATOM 762 C SER A 47 2.817 -12.969 5.029 1.00 0.00 C ATOM 763 O SER A 47 2.077 -12.258 5.706 1.00 0.00 O ATOM 764 CB SER A 47 2.146 -12.525 2.660 1.00 0.00 C ATOM 765 OG SER A 47 1.633 -13.082 1.461 1.00 0.00 O ATOM 0 H SER A 47 0.252 -13.809 3.651 1.00 0.00 H new ATOM 0 HA SER A 47 3.079 -14.313 3.388 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.468 -11.754 3.026 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.101 -12.040 2.460 1.00 0.00 H new ATOM 0 HG SER A 47 1.523 -12.374 0.792 1.00 0.00 H new ATOM 771 N ASN A 48 4.053 -13.261 5.374 1.00 0.00 N ATOM 772 CA ASN A 48 4.703 -12.652 6.527 1.00 0.00 C ATOM 773 C ASN A 48 5.218 -11.276 6.138 1.00 0.00 C ATOM 774 O ASN A 48 5.781 -11.145 5.061 1.00 0.00 O ATOM 775 CB ASN A 48 5.866 -13.530 7.022 1.00 0.00 C ATOM 776 CG ASN A 48 5.534 -14.276 8.295 1.00 0.00 C ATOM 777 OD1 ASN A 48 4.737 -13.817 9.111 1.00 0.00 O ATOM 778 ND2 ASN A 48 6.153 -15.429 8.477 1.00 0.00 N ATOM 0 H ASN A 48 4.639 -13.925 4.868 1.00 0.00 H new ATOM 0 HA ASN A 48 3.979 -12.559 7.337 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.131 -14.247 6.245 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.742 -12.904 7.191 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.977 -15.975 9.320 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.807 -15.773 7.774 1.00 0.00 H new ATOM 785 N PRO A 49 5.025 -10.230 6.967 1.00 0.00 N ATOM 786 CA PRO A 49 5.345 -8.840 6.564 1.00 0.00 C ATOM 787 C PRO A 49 6.743 -8.681 5.958 1.00 0.00 C ATOM 788 O PRO A 49 6.916 -7.956 4.979 1.00 0.00 O ATOM 789 CB PRO A 49 5.212 -8.064 7.875 1.00 0.00 C ATOM 790 CG PRO A 49 4.219 -8.847 8.672 1.00 0.00 C ATOM 791 CD PRO A 49 4.500 -10.290 8.357 1.00 0.00 C ATOM 0 HA PRO A 49 4.686 -8.487 5.771 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.169 -7.992 8.393 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.866 -7.045 7.700 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.328 -8.650 9.738 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.198 -8.578 8.401 1.00 0.00 H new ATOM 0 HD2 PRO A 49 5.228 -10.720 9.046 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.600 -10.901 8.423 1.00 0.00 H new ATOM 799 N ASP A 50 7.713 -9.421 6.483 1.00 0.00 N ATOM 800 CA ASP A 50 9.108 -9.291 6.050 1.00 0.00 C ATOM 801 C ASP A 50 9.302 -9.888 4.668 1.00 0.00 C ATOM 802 O ASP A 50 10.319 -9.667 4.012 1.00 0.00 O ATOM 803 CB ASP A 50 10.050 -9.989 7.031 1.00 0.00 C ATOM 804 CG ASP A 50 10.058 -9.335 8.399 1.00 0.00 C ATOM 805 OD1 ASP A 50 9.176 -9.654 9.226 1.00 0.00 O ATOM 806 OD2 ASP A 50 10.947 -8.497 8.655 1.00 0.00 O ATOM 0 H ASP A 50 7.563 -10.120 7.211 1.00 0.00 H new ATOM 0 HA ASP A 50 9.343 -8.227 6.020 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.753 -11.033 7.133 1.00 0.00 H new ATOM 0 HB3 ASP A 50 11.061 -9.984 6.624 1.00 0.00 H new ATOM 811 N GLU A 51 8.314 -10.641 4.234 1.00 0.00 N ATOM 812 CA GLU A 51 8.367 -11.318 2.953 1.00 0.00 C ATOM 813 C GLU A 51 7.043 -11.100 2.242 1.00 0.00 C ATOM 814 O GLU A 51 6.592 -11.925 1.448 1.00 0.00 O ATOM 815 CB GLU A 51 8.629 -12.812 3.159 1.00 0.00 C ATOM 816 CG GLU A 51 9.372 -13.482 2.023 1.00 0.00 C ATOM 817 CD GLU A 51 8.645 -14.694 1.479 1.00 0.00 C ATOM 818 OE1 GLU A 51 8.644 -15.748 2.148 1.00 0.00 O ATOM 819 OE2 GLU A 51 8.071 -14.602 0.372 1.00 0.00 O ATOM 0 H GLU A 51 7.453 -10.802 4.757 1.00 0.00 H new ATOM 0 HA GLU A 51 9.179 -10.915 2.347 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.200 -12.944 4.078 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.675 -13.319 3.301 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.521 -12.762 1.218 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.361 -13.783 2.369 1.00 0.00 H new ATOM 826 N ILE A 52 6.421 -9.976 2.561 1.00 0.00 N ATOM 827 CA ILE A 52 5.077 -9.672 2.106 1.00 0.00 C ATOM 828 C ILE A 52 4.999 -9.594 0.580 1.00 0.00 C ATOM 829 O ILE A 52 5.959 -9.208 -0.094 1.00 0.00 O ATOM 830 CB ILE A 52 4.585 -8.336 2.709 1.00 0.00 C ATOM 831 CG1 ILE A 52 3.103 -8.122 2.430 1.00 0.00 C ATOM 832 CG2 ILE A 52 5.360 -7.198 2.100 1.00 0.00 C ATOM 833 CD1 ILE A 52 2.205 -9.238 2.898 1.00 0.00 C ATOM 0 H ILE A 52 6.836 -9.249 3.144 1.00 0.00 H new ATOM 0 HA ILE A 52 4.435 -10.485 2.445 1.00 0.00 H new ATOM 0 HB ILE A 52 4.739 -8.372 3.787 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.787 -7.195 2.909 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.965 -7.989 1.357 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.015 -6.255 2.524 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.421 -7.325 2.314 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.206 -7.189 1.021 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.170 -8.997 2.657 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.488 -10.166 2.400 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.307 -9.359 3.976 1.00 0.00 H new ATOM 845 N GLU A 53 3.858 -9.991 0.047 1.00 0.00 N ATOM 846 CA GLU A 53 3.581 -9.857 -1.359 1.00 0.00 C ATOM 847 C GLU A 53 2.132 -9.407 -1.537 1.00 0.00 C ATOM 848 O GLU A 53 1.207 -10.222 -1.507 1.00 0.00 O ATOM 849 CB GLU A 53 3.834 -11.199 -2.039 1.00 0.00 C ATOM 850 CG GLU A 53 4.670 -11.095 -3.294 1.00 0.00 C ATOM 851 CD GLU A 53 5.138 -12.448 -3.785 1.00 0.00 C ATOM 852 OE1 GLU A 53 4.433 -13.066 -4.609 1.00 0.00 O ATOM 853 OE2 GLU A 53 6.212 -12.904 -3.339 1.00 0.00 O ATOM 0 H GLU A 53 3.101 -10.415 0.583 1.00 0.00 H new ATOM 0 HA GLU A 53 4.231 -9.110 -1.815 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.333 -11.865 -1.335 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.877 -11.657 -2.287 1.00 0.00 H new ATOM 0 HG2 GLU A 53 4.088 -10.608 -4.077 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.536 -10.462 -3.100 1.00 0.00 H new ATOM 860 N ILE A 54 1.944 -8.103 -1.714 1.00 0.00 N ATOM 861 CA ILE A 54 0.611 -7.519 -1.805 1.00 0.00 C ATOM 862 C ILE A 54 0.195 -7.385 -3.259 1.00 0.00 C ATOM 863 O ILE A 54 0.976 -6.937 -4.095 1.00 0.00 O ATOM 864 CB ILE A 54 0.547 -6.119 -1.143 1.00 0.00 C ATOM 865 CG1 ILE A 54 0.982 -6.198 0.322 1.00 0.00 C ATOM 866 CG2 ILE A 54 -0.868 -5.549 -1.246 1.00 0.00 C ATOM 867 CD1 ILE A 54 1.207 -4.845 0.964 1.00 0.00 C ATOM 0 H ILE A 54 2.703 -7.427 -1.798 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.067 -8.188 -1.275 1.00 0.00 H new ATOM 0 HB ILE A 54 1.231 -5.455 -1.671 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.223 -6.737 0.889 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.902 -6.779 0.388 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.899 -4.565 -0.777 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.149 -5.460 -2.295 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.566 -6.215 -0.739 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.513 -4.981 2.001 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.988 -4.311 0.422 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.283 -4.268 0.931 1.00 0.00 H new ATOM 879 N ASP A 55 -1.028 -7.777 -3.556 1.00 0.00 N ATOM 880 CA ASP A 55 -1.552 -7.652 -4.906 1.00 0.00 C ATOM 881 C ASP A 55 -2.577 -6.531 -4.950 1.00 0.00 C ATOM 882 O ASP A 55 -3.695 -6.672 -4.440 1.00 0.00 O ATOM 883 CB ASP A 55 -2.188 -8.962 -5.371 1.00 0.00 C ATOM 884 CG ASP A 55 -2.478 -8.959 -6.852 1.00 0.00 C ATOM 885 OD1 ASP A 55 -1.785 -9.676 -7.602 1.00 0.00 O ATOM 886 OD2 ASP A 55 -3.389 -8.227 -7.281 1.00 0.00 O ATOM 0 H ASP A 55 -1.678 -8.184 -2.884 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.727 -7.420 -5.579 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.522 -9.792 -5.134 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.114 -9.130 -4.821 1.00 0.00 H new ATOM 891 N PHE A 56 -2.200 -5.423 -5.571 1.00 0.00 N ATOM 892 CA PHE A 56 -3.034 -4.228 -5.578 1.00 0.00 C ATOM 893 C PHE A 56 -4.324 -4.449 -6.355 1.00 0.00 C ATOM 894 O PHE A 56 -5.272 -3.674 -6.244 1.00 0.00 O ATOM 895 CB PHE A 56 -2.273 -3.042 -6.165 1.00 0.00 C ATOM 896 CG PHE A 56 -2.492 -1.806 -5.360 1.00 0.00 C ATOM 897 CD1 PHE A 56 -1.958 -1.716 -4.102 1.00 0.00 C ATOM 898 CD2 PHE A 56 -3.254 -0.757 -5.832 1.00 0.00 C ATOM 899 CE1 PHE A 56 -2.172 -0.612 -3.329 1.00 0.00 C ATOM 900 CE2 PHE A 56 -3.468 0.363 -5.048 1.00 0.00 C ATOM 901 CZ PHE A 56 -2.919 0.417 -3.797 1.00 0.00 C ATOM 0 H PHE A 56 -1.320 -5.326 -6.078 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.294 -4.009 -4.542 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.208 -3.272 -6.200 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.596 -2.872 -7.192 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.360 -2.529 -3.717 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.686 -0.810 -6.820 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.744 -0.558 -2.339 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.062 1.185 -5.420 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.082 1.286 -3.177 1.00 0.00 H new ATOM 911 N GLU A 57 -4.358 -5.517 -7.125 1.00 0.00 N ATOM 912 CA GLU A 57 -5.501 -5.818 -7.954 1.00 0.00 C ATOM 913 C GLU A 57 -6.486 -6.731 -7.241 1.00 0.00 C ATOM 914 O GLU A 57 -7.580 -6.992 -7.741 1.00 0.00 O ATOM 915 CB GLU A 57 -5.031 -6.456 -9.253 1.00 0.00 C ATOM 916 CG GLU A 57 -4.254 -5.501 -10.132 1.00 0.00 C ATOM 917 CD GLU A 57 -5.127 -4.412 -10.713 1.00 0.00 C ATOM 918 OE1 GLU A 57 -5.411 -3.427 -10.003 1.00 0.00 O ATOM 919 OE2 GLU A 57 -5.526 -4.533 -11.891 1.00 0.00 O ATOM 0 H GLU A 57 -3.599 -6.195 -7.192 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.022 -4.885 -8.172 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.406 -7.319 -9.023 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.896 -6.826 -9.804 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.451 -5.048 -9.550 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.785 -6.058 -10.943 1.00 0.00 H new ATOM 926 N THR A 58 -6.102 -7.211 -6.072 1.00 0.00 N ATOM 927 CA THR A 58 -6.957 -8.097 -5.308 1.00 0.00 C ATOM 928 C THR A 58 -7.558 -7.373 -4.115 1.00 0.00 C ATOM 929 O THR A 58 -8.567 -7.801 -3.557 1.00 0.00 O ATOM 930 CB THR A 58 -6.179 -9.332 -4.831 1.00 0.00 C ATOM 931 OG1 THR A 58 -5.092 -8.941 -3.982 1.00 0.00 O ATOM 932 CG2 THR A 58 -5.642 -10.102 -6.022 1.00 0.00 C ATOM 0 H THR A 58 -5.205 -7.002 -5.633 1.00 0.00 H new ATOM 0 HA THR A 58 -7.765 -8.424 -5.963 1.00 0.00 H new ATOM 0 HB THR A 58 -6.858 -9.970 -4.266 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.783 -8.046 -4.237 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.092 -10.976 -5.672 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.472 -10.423 -6.652 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.976 -9.461 -6.599 1.00 0.00 H new ATOM 940 N LEU A 59 -6.933 -6.264 -3.743 1.00 0.00 N ATOM 941 CA LEU A 59 -7.395 -5.465 -2.616 1.00 0.00 C ATOM 942 C LEU A 59 -8.744 -4.844 -2.925 1.00 0.00 C ATOM 943 O LEU A 59 -8.980 -4.379 -4.041 1.00 0.00 O ATOM 944 CB LEU A 59 -6.396 -4.355 -2.302 1.00 0.00 C ATOM 945 CG LEU A 59 -4.936 -4.793 -2.265 1.00 0.00 C ATOM 946 CD1 LEU A 59 -4.030 -3.610 -1.990 1.00 0.00 C ATOM 947 CD2 LEU A 59 -4.736 -5.860 -1.212 1.00 0.00 C ATOM 0 H LEU A 59 -6.102 -5.896 -4.207 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.487 -6.123 -1.752 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.505 -3.568 -3.048 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.653 -3.918 -1.337 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.676 -5.207 -3.239 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.993 -3.944 -1.968 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.155 -2.866 -2.776 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.290 -3.169 -1.028 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.689 -6.164 -1.196 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.014 -5.464 -0.235 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.361 -6.722 -1.445 1.00 0.00 H new ATOM 959 N LYS A 60 -9.628 -4.847 -1.945 1.00 0.00 N ATOM 960 CA LYS A 60 -10.919 -4.209 -2.095 1.00 0.00 C ATOM 961 C LYS A 60 -10.746 -2.685 -2.022 1.00 0.00 C ATOM 962 O LYS A 60 -9.870 -2.207 -1.294 1.00 0.00 O ATOM 963 CB LYS A 60 -11.873 -4.731 -1.016 1.00 0.00 C ATOM 964 CG LYS A 60 -11.587 -4.220 0.380 1.00 0.00 C ATOM 965 CD LYS A 60 -12.590 -4.770 1.383 1.00 0.00 C ATOM 966 CE LYS A 60 -12.652 -6.302 1.348 1.00 0.00 C ATOM 967 NZ LYS A 60 -11.306 -6.917 1.472 1.00 0.00 N ATOM 0 H LYS A 60 -9.474 -5.285 -1.037 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.352 -4.449 -3.066 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -12.892 -4.456 -1.287 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.828 -5.820 -1.006 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.578 -4.507 0.676 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.623 -3.131 0.386 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.319 -4.440 2.386 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.578 -4.362 1.170 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.289 -6.657 2.158 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.113 -6.625 0.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.368 -7.933 1.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.653 -6.462 0.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.953 -6.788 2.442 1.00 0.00 H new ATOM 981 N PRO A 61 -11.527 -1.911 -2.822 1.00 0.00 N ATOM 982 CA PRO A 61 -11.452 -0.444 -2.878 1.00 0.00 C ATOM 983 C PRO A 61 -11.102 0.230 -1.549 1.00 0.00 C ATOM 984 O PRO A 61 -10.213 1.084 -1.497 1.00 0.00 O ATOM 985 CB PRO A 61 -12.864 -0.057 -3.296 1.00 0.00 C ATOM 986 CG PRO A 61 -13.352 -1.187 -4.136 1.00 0.00 C ATOM 987 CD PRO A 61 -12.533 -2.410 -3.783 1.00 0.00 C ATOM 0 HA PRO A 61 -10.656 -0.122 -3.549 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.504 0.091 -2.426 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -12.866 0.878 -3.856 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -14.411 -1.370 -3.953 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -13.248 -0.949 -5.195 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -13.153 -3.190 -3.341 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.060 -2.841 -4.666 1.00 0.00 H new ATOM 995 N SER A 62 -11.801 -0.155 -0.486 1.00 0.00 N ATOM 996 CA SER A 62 -11.615 0.461 0.824 1.00 0.00 C ATOM 997 C SER A 62 -10.173 0.333 1.309 1.00 0.00 C ATOM 998 O SER A 62 -9.599 1.303 1.802 1.00 0.00 O ATOM 999 CB SER A 62 -12.577 -0.150 1.844 1.00 0.00 C ATOM 1000 OG SER A 62 -12.422 -1.556 1.914 1.00 0.00 O ATOM 0 H SER A 62 -12.504 -0.894 -0.506 1.00 0.00 H new ATOM 0 HA SER A 62 -11.836 1.524 0.722 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.397 0.288 2.826 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.604 0.092 1.570 1.00 0.00 H new ATOM 0 HG SER A 62 -13.047 -1.922 2.574 1.00 0.00 H new ATOM 1006 N THR A 63 -9.584 -0.850 1.148 1.00 0.00 N ATOM 1007 CA THR A 63 -8.199 -1.071 1.557 1.00 0.00 C ATOM 1008 C THR A 63 -7.293 -0.131 0.789 1.00 0.00 C ATOM 1009 O THR A 63 -6.523 0.612 1.383 1.00 0.00 O ATOM 1010 CB THR A 63 -7.746 -2.529 1.314 1.00 0.00 C ATOM 1011 OG1 THR A 63 -8.806 -3.427 1.662 1.00 0.00 O ATOM 1012 CG2 THR A 63 -6.512 -2.864 2.138 1.00 0.00 C ATOM 0 H THR A 63 -10.041 -1.666 0.740 1.00 0.00 H new ATOM 0 HA THR A 63 -8.135 -0.877 2.628 1.00 0.00 H new ATOM 0 HB THR A 63 -7.497 -2.636 0.258 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.586 -4.330 1.350 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.216 -3.896 1.947 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.697 -2.195 1.861 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.738 -2.741 3.197 1.00 0.00 H new ATOM 1020 N LEU A 64 -7.445 -0.129 -0.530 1.00 0.00 N ATOM 1021 CA LEU A 64 -6.625 0.698 -1.409 1.00 0.00 C ATOM 1022 C LEU A 64 -6.729 2.169 -1.027 1.00 0.00 C ATOM 1023 O LEU A 64 -5.737 2.894 -1.025 1.00 0.00 O ATOM 1024 CB LEU A 64 -7.071 0.501 -2.861 1.00 0.00 C ATOM 1025 CG LEU A 64 -7.133 -0.948 -3.310 1.00 0.00 C ATOM 1026 CD1 LEU A 64 -8.305 -1.130 -4.230 1.00 0.00 C ATOM 1027 CD2 LEU A 64 -5.864 -1.339 -4.021 1.00 0.00 C ATOM 0 H LEU A 64 -8.136 -0.697 -1.019 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.584 0.393 -1.302 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.056 0.950 -2.989 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.386 1.042 -3.515 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.247 -1.585 -2.433 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.354 -2.169 -4.555 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.224 -0.871 -3.704 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.189 -0.483 -5.099 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.929 -2.381 -4.335 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.727 -0.704 -4.897 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.016 -1.215 -3.347 1.00 0.00 H new ATOM 1039 N ARG A 65 -7.931 2.603 -0.684 1.00 0.00 N ATOM 1040 CA ARG A 65 -8.153 3.992 -0.314 1.00 0.00 C ATOM 1041 C ARG A 65 -7.648 4.279 1.102 1.00 0.00 C ATOM 1042 O ARG A 65 -7.379 5.433 1.450 1.00 0.00 O ATOM 1043 CB ARG A 65 -9.632 4.361 -0.448 1.00 0.00 C ATOM 1044 CG ARG A 65 -10.148 4.315 -1.885 1.00 0.00 C ATOM 1045 CD ARG A 65 -9.296 5.167 -2.822 1.00 0.00 C ATOM 1046 NE ARG A 65 -9.962 5.414 -4.104 1.00 0.00 N ATOM 1047 CZ ARG A 65 -9.610 6.380 -4.958 1.00 0.00 C ATOM 1048 NH1 ARG A 65 -8.706 7.292 -4.613 1.00 0.00 N ATOM 1049 NH2 ARG A 65 -10.191 6.453 -6.150 1.00 0.00 N ATOM 0 H ARG A 65 -8.765 2.017 -0.654 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.581 4.614 -1.003 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.224 3.680 0.163 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -9.785 5.363 -0.048 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -10.153 3.283 -2.236 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -11.180 4.666 -1.912 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -9.072 6.119 -2.341 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.344 4.667 -2.999 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.743 4.811 -4.361 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -8.274 7.258 -3.689 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.444 8.025 -5.272 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -10.904 5.773 -6.412 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.924 7.189 -6.803 1.00 0.00 H new ATOM 1063 N GLU A 66 -7.508 3.233 1.915 1.00 0.00 N ATOM 1064 CA GLU A 66 -6.925 3.373 3.241 1.00 0.00 C ATOM 1065 C GLU A 66 -5.417 3.487 3.126 1.00 0.00 C ATOM 1066 O GLU A 66 -4.796 4.341 3.757 1.00 0.00 O ATOM 1067 CB GLU A 66 -7.283 2.172 4.113 1.00 0.00 C ATOM 1068 CG GLU A 66 -8.697 2.209 4.659 1.00 0.00 C ATOM 1069 CD GLU A 66 -8.949 3.438 5.502 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -9.792 4.270 5.116 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -8.288 3.589 6.548 1.00 0.00 O ATOM 0 H GLU A 66 -7.791 2.283 1.676 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.326 4.274 3.705 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.153 1.260 3.530 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.583 2.119 4.947 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.406 2.186 3.831 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.878 1.316 5.258 1.00 0.00 H new ATOM 1078 N LEU A 67 -4.850 2.611 2.302 1.00 0.00 N ATOM 1079 CA LEU A 67 -3.422 2.597 2.028 1.00 0.00 C ATOM 1080 C LEU A 67 -2.956 3.990 1.587 1.00 0.00 C ATOM 1081 O LEU A 67 -1.913 4.489 2.012 1.00 0.00 O ATOM 1082 CB LEU A 67 -3.139 1.590 0.912 1.00 0.00 C ATOM 1083 CG LEU A 67 -3.805 0.246 1.104 1.00 0.00 C ATOM 1084 CD1 LEU A 67 -3.439 -0.701 -0.018 1.00 0.00 C ATOM 1085 CD2 LEU A 67 -3.443 -0.328 2.462 1.00 0.00 C ATOM 0 H LEU A 67 -5.372 1.889 1.805 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.884 2.314 2.933 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.469 2.014 -0.036 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.062 1.441 0.837 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.886 0.381 1.073 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.930 -1.661 0.142 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.765 -0.281 -0.970 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.359 -0.844 -0.035 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.928 -1.296 2.589 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.362 -0.453 2.528 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.778 0.352 3.245 1.00 0.00 H new ATOM 1097 N GLU A 68 -3.776 4.601 0.736 1.00 0.00 N ATOM 1098 CA GLU A 68 -3.500 5.902 0.139 1.00 0.00 C ATOM 1099 C GLU A 68 -3.472 7.022 1.175 1.00 0.00 C ATOM 1100 O GLU A 68 -2.432 7.644 1.401 1.00 0.00 O ATOM 1101 CB GLU A 68 -4.581 6.198 -0.884 1.00 0.00 C ATOM 1102 CG GLU A 68 -4.337 7.442 -1.689 1.00 0.00 C ATOM 1103 CD GLU A 68 -5.448 8.463 -1.558 1.00 0.00 C ATOM 1104 OE1 GLU A 68 -6.542 8.230 -2.123 1.00 0.00 O ATOM 1105 OE2 GLU A 68 -5.236 9.501 -0.900 1.00 0.00 O ATOM 0 H GLU A 68 -4.665 4.199 0.438 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.514 5.861 -0.324 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.666 5.349 -1.563 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.537 6.292 -0.370 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.397 7.894 -1.372 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.222 7.171 -2.739 1.00 0.00 H new ATOM 1112 N ARG A 69 -4.635 7.274 1.786 1.00 0.00 N ATOM 1113 CA ARG A 69 -4.784 8.279 2.850 1.00 0.00 C ATOM 1114 C ARG A 69 -3.709 8.103 3.909 1.00 0.00 C ATOM 1115 O ARG A 69 -3.303 9.052 4.584 1.00 0.00 O ATOM 1116 CB ARG A 69 -6.168 8.148 3.480 1.00 0.00 C ATOM 1117 CG ARG A 69 -6.386 9.097 4.626 1.00 0.00 C ATOM 1118 CD ARG A 69 -7.471 8.597 5.562 1.00 0.00 C ATOM 1119 NE ARG A 69 -7.277 7.202 5.963 1.00 0.00 N ATOM 1120 CZ ARG A 69 -6.619 6.818 7.059 1.00 0.00 C ATOM 1121 NH1 ARG A 69 -5.999 7.712 7.819 1.00 0.00 N ATOM 1122 NH2 ARG A 69 -6.578 5.534 7.392 1.00 0.00 N ATOM 0 H ARG A 69 -5.502 6.787 1.558 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.674 9.273 2.416 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.926 8.328 2.718 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.305 7.125 3.831 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.455 9.221 5.179 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.661 10.079 4.240 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -7.495 9.226 6.452 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -8.440 8.698 5.074 1.00 0.00 H new ATOM 0 HE ARG A 69 -7.671 6.476 5.365 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -6.023 8.700 7.567 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -5.498 7.411 8.655 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -7.049 4.841 6.810 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -6.075 5.240 8.229 1.00 0.00 H new ATOM 1136 N TYR A 70 -3.222 6.890 4.018 1.00 0.00 N ATOM 1137 CA TYR A 70 -2.184 6.591 4.968 1.00 0.00 C ATOM 1138 C TYR A 70 -0.832 7.119 4.493 1.00 0.00 C ATOM 1139 O TYR A 70 -0.215 7.939 5.163 1.00 0.00 O ATOM 1140 CB TYR A 70 -2.089 5.090 5.208 1.00 0.00 C ATOM 1141 CG TYR A 70 -0.745 4.696 5.707 1.00 0.00 C ATOM 1142 CD1 TYR A 70 0.043 3.864 4.956 1.00 0.00 C ATOM 1143 CD2 TYR A 70 -0.241 5.205 6.897 1.00 0.00 C ATOM 1144 CE1 TYR A 70 1.298 3.539 5.360 1.00 0.00 C ATOM 1145 CE2 TYR A 70 1.023 4.878 7.320 1.00 0.00 C ATOM 1146 CZ TYR A 70 1.793 4.046 6.546 1.00 0.00 C ATOM 1147 OH TYR A 70 3.058 3.731 6.953 1.00 0.00 O ATOM 0 H TYR A 70 -3.530 6.095 3.459 1.00 0.00 H new ATOM 0 HA TYR A 70 -2.444 7.087 5.903 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -2.848 4.788 5.930 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -2.303 4.559 4.280 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.339 3.461 4.030 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -0.850 5.865 7.496 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.908 2.885 4.755 1.00 0.00 H new ATOM 0 HE2 TYR A 70 1.407 5.270 8.250 1.00 0.00 H new ATOM 0 HH TYR A 70 3.329 2.880 6.549 1.00 0.00 H new ATOM 1157 N VAL A 71 -0.360 6.643 3.352 1.00 0.00 N ATOM 1158 CA VAL A 71 0.972 7.011 2.896 1.00 0.00 C ATOM 1159 C VAL A 71 1.042 8.477 2.578 1.00 0.00 C ATOM 1160 O VAL A 71 2.045 9.122 2.852 1.00 0.00 O ATOM 1161 CB VAL A 71 1.424 6.205 1.678 1.00 0.00 C ATOM 1162 CG1 VAL A 71 1.414 4.746 2.017 1.00 0.00 C ATOM 1163 CG2 VAL A 71 0.537 6.444 0.473 1.00 0.00 C ATOM 0 H VAL A 71 -0.869 6.012 2.733 1.00 0.00 H new ATOM 0 HA VAL A 71 1.650 6.779 3.718 1.00 0.00 H new ATOM 0 HB VAL A 71 2.431 6.533 1.420 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.736 4.169 1.150 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.094 4.561 2.849 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.405 4.445 2.299 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.897 5.850 -0.367 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.486 6.153 0.711 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.561 7.501 0.207 1.00 0.00 H new ATOM 1173 N THR A 72 -0.034 9.012 2.039 1.00 0.00 N ATOM 1174 CA THR A 72 -0.083 10.415 1.732 1.00 0.00 C ATOM 1175 C THR A 72 0.057 11.217 3.033 1.00 0.00 C ATOM 1176 O THR A 72 0.572 12.322 3.034 1.00 0.00 O ATOM 1177 CB THR A 72 -1.386 10.780 0.975 1.00 0.00 C ATOM 1178 OG1 THR A 72 -1.221 12.003 0.245 1.00 0.00 O ATOM 1179 CG2 THR A 72 -2.558 10.922 1.928 1.00 0.00 C ATOM 0 H THR A 72 -0.881 8.493 1.807 1.00 0.00 H new ATOM 0 HA THR A 72 0.744 10.668 1.069 1.00 0.00 H new ATOM 0 HB THR A 72 -1.595 9.966 0.280 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.053 12.217 -0.228 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.456 11.178 1.365 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.716 9.980 2.454 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.346 11.710 2.651 1.00 0.00 H new ATOM 1187 N SER A 73 -0.339 10.619 4.159 1.00 0.00 N ATOM 1188 CA SER A 73 -0.205 11.282 5.444 1.00 0.00 C ATOM 1189 C SER A 73 1.264 11.285 5.882 1.00 0.00 C ATOM 1190 O SER A 73 1.734 12.225 6.527 1.00 0.00 O ATOM 1191 CB SER A 73 -1.083 10.591 6.493 1.00 0.00 C ATOM 1192 OG SER A 73 -0.399 9.535 7.145 1.00 0.00 O ATOM 0 H SER A 73 -0.750 9.686 4.201 1.00 0.00 H new ATOM 0 HA SER A 73 -0.539 12.315 5.347 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.409 11.323 7.232 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.981 10.200 6.014 1.00 0.00 H new ATOM 0 HG SER A 73 -0.543 8.699 6.653 1.00 0.00 H new ATOM 1198 N CYS A 74 1.986 10.236 5.492 1.00 0.00 N ATOM 1199 CA CYS A 74 3.383 10.069 5.869 1.00 0.00 C ATOM 1200 C CYS A 74 4.301 10.822 4.913 1.00 0.00 C ATOM 1201 O CYS A 74 5.329 11.370 5.306 1.00 0.00 O ATOM 1202 CB CYS A 74 3.732 8.583 5.863 1.00 0.00 C ATOM 1203 SG CYS A 74 5.396 8.198 6.461 1.00 0.00 S ATOM 0 H CYS A 74 1.619 9.484 4.909 1.00 0.00 H new ATOM 0 HA CYS A 74 3.527 10.479 6.869 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.007 8.050 6.478 1.00 0.00 H new ATOM 0 HB3 CYS A 74 3.628 8.203 4.847 1.00 0.00 H new ATOM 0 HG CYS A 74 6.165 9.234 6.300 1.00 0.00 H new ATOM 1209 N LEU A 75 3.925 10.817 3.651 1.00 0.00 N ATOM 1210 CA LEU A 75 4.709 11.460 2.603 1.00 0.00 C ATOM 1211 C LEU A 75 4.490 12.973 2.570 1.00 0.00 C ATOM 1212 O LEU A 75 5.457 13.731 2.482 1.00 0.00 O ATOM 1213 CB LEU A 75 4.362 10.825 1.258 1.00 0.00 C ATOM 1214 CG LEU A 75 4.433 9.304 1.274 1.00 0.00 C ATOM 1215 CD1 LEU A 75 3.836 8.725 0.000 1.00 0.00 C ATOM 1216 CD2 LEU A 75 5.864 8.827 1.464 1.00 0.00 C ATOM 0 H LEU A 75 3.071 10.370 3.318 1.00 0.00 H new ATOM 0 HA LEU A 75 5.767 11.305 2.817 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.357 11.132 0.968 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.044 11.206 0.498 1.00 0.00 H new ATOM 0 HG LEU A 75 3.845 8.948 2.120 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.897 7.637 0.032 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.792 9.028 -0.083 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.391 9.094 -0.862 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.886 7.737 1.472 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.482 9.197 0.646 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.251 9.205 2.411 1.00 0.00 H new ATOM 1228 N ARG A 76 3.230 13.417 2.637 1.00 0.00 N ATOM 1229 CA ARG A 76 2.940 14.847 2.663 1.00 0.00 C ATOM 1230 C ARG A 76 3.517 15.474 3.925 1.00 0.00 C ATOM 1231 O ARG A 76 4.076 16.569 3.896 1.00 0.00 O ATOM 1232 CB ARG A 76 1.436 15.130 2.594 1.00 0.00 C ATOM 1233 CG ARG A 76 0.751 14.618 1.334 1.00 0.00 C ATOM 1234 CD ARG A 76 -0.679 15.121 1.237 1.00 0.00 C ATOM 1235 NE ARG A 76 -0.759 16.580 1.214 1.00 0.00 N ATOM 1236 CZ ARG A 76 -1.902 17.264 1.254 1.00 0.00 C ATOM 1237 NH1 ARG A 76 -3.060 16.622 1.322 1.00 0.00 N ATOM 1238 NH2 ARG A 76 -1.885 18.590 1.226 1.00 0.00 N ATOM 0 H ARG A 76 2.408 12.814 2.674 1.00 0.00 H new ATOM 0 HA ARG A 76 3.405 15.288 1.781 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.955 14.679 3.462 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.279 16.206 2.665 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.312 14.940 0.457 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.756 13.528 1.333 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.141 14.721 0.334 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.252 14.742 2.083 1.00 0.00 H new ATOM 0 HE ARG A 76 0.113 17.107 1.164 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.077 15.602 1.344 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.934 17.148 1.353 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.996 19.088 1.174 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.761 19.112 1.257 1.00 0.00 H new ATOM 1252 N LYS A 77 3.376 14.764 5.035 1.00 0.00 N ATOM 1253 CA LYS A 77 3.916 15.212 6.310 1.00 0.00 C ATOM 1254 C LYS A 77 4.924 14.197 6.834 1.00 0.00 C ATOM 1255 O LYS A 77 4.564 13.254 7.539 1.00 0.00 O ATOM 1256 CB LYS A 77 2.781 15.414 7.307 1.00 0.00 C ATOM 1257 CG LYS A 77 1.893 16.583 6.947 1.00 0.00 C ATOM 1258 CD LYS A 77 0.580 16.543 7.707 1.00 0.00 C ATOM 1259 CE LYS A 77 -0.308 17.719 7.347 1.00 0.00 C ATOM 1260 NZ LYS A 77 -0.664 17.731 5.901 1.00 0.00 N ATOM 0 H LYS A 77 2.889 13.869 5.078 1.00 0.00 H new ATOM 0 HA LYS A 77 4.429 16.164 6.172 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.179 14.507 7.356 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.199 15.573 8.301 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.412 17.516 7.166 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.694 16.573 5.875 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.059 15.611 7.486 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.779 16.551 8.779 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.219 17.680 7.944 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.201 18.648 7.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.448 18.396 5.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.161 18.029 5.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.954 16.777 5.607 1.00 0.00 H new ATOM 1274 N LYS A 78 6.188 14.396 6.475 1.00 0.00 N ATOM 1275 CA LYS A 78 7.234 13.429 6.763 1.00 0.00 C ATOM 1276 C LYS A 78 7.499 13.327 8.260 1.00 0.00 C ATOM 1277 O LYS A 78 7.290 12.271 8.858 1.00 0.00 O ATOM 1278 CB LYS A 78 8.520 13.819 6.036 1.00 0.00 C ATOM 1279 CG LYS A 78 9.547 12.701 5.966 1.00 0.00 C ATOM 1280 CD LYS A 78 9.075 11.541 5.098 1.00 0.00 C ATOM 1281 CE LYS A 78 8.792 11.987 3.672 1.00 0.00 C ATOM 1282 NZ LYS A 78 8.495 10.839 2.775 1.00 0.00 N ATOM 0 H LYS A 78 6.512 15.227 5.980 1.00 0.00 H new ATOM 0 HA LYS A 78 6.896 12.454 6.411 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.272 14.136 5.023 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.965 14.678 6.539 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.483 13.094 5.568 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.756 12.338 6.972 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.834 10.759 5.091 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.173 11.106 5.530 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.948 12.676 3.669 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.652 12.535 3.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.888 11.158 1.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.384 10.459 2.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.005 10.096 3.313 1.00 0.00 H new ATOM 1296 N ARG A 79 7.954 14.431 8.852 1.00 0.00 N ATOM 1297 CA ARG A 79 8.303 14.478 10.269 1.00 0.00 C ATOM 1298 C ARG A 79 9.367 13.436 10.612 1.00 0.00 C ATOM 1299 O ARG A 79 9.061 12.288 10.947 1.00 0.00 O ATOM 1300 CB ARG A 79 7.061 14.297 11.146 1.00 0.00 C ATOM 1301 CG ARG A 79 7.354 14.226 12.644 1.00 0.00 C ATOM 1302 CD ARG A 79 8.147 15.432 13.135 1.00 0.00 C ATOM 1303 NE ARG A 79 8.477 15.325 14.556 1.00 0.00 N ATOM 1304 CZ ARG A 79 9.617 15.756 15.098 1.00 0.00 C ATOM 1305 NH1 ARG A 79 10.559 16.312 14.342 1.00 0.00 N ATOM 1306 NH2 ARG A 79 9.817 15.620 16.402 1.00 0.00 N ATOM 0 H ARG A 79 8.090 15.316 8.363 1.00 0.00 H new ATOM 0 HA ARG A 79 8.722 15.463 10.474 1.00 0.00 H new ATOM 0 HB2 ARG A 79 6.376 15.124 10.960 1.00 0.00 H new ATOM 0 HB3 ARG A 79 6.547 13.384 10.844 1.00 0.00 H new ATOM 0 HG2 ARG A 79 6.415 14.163 13.193 1.00 0.00 H new ATOM 0 HG3 ARG A 79 7.911 13.315 12.860 1.00 0.00 H new ATOM 0 HD2 ARG A 79 9.065 15.524 12.555 1.00 0.00 H new ATOM 0 HD3 ARG A 79 7.570 16.341 12.964 1.00 0.00 H new ATOM 0 HE ARG A 79 7.790 14.892 15.173 1.00 0.00 H new ATOM 0 HH11 ARG A 79 10.413 16.412 13.337 1.00 0.00 H new ATOM 0 HH12 ARG A 79 11.427 16.638 14.767 1.00 0.00 H new ATOM 0 HH21 ARG A 79 9.101 15.187 16.985 1.00 0.00 H new ATOM 0 HH22 ARG A 79 10.687 15.948 16.821 1.00 0.00 H new ATOM 1320 N LYS A 80 10.617 13.847 10.510 1.00 0.00 N ATOM 1321 CA LYS A 80 11.739 13.000 10.877 1.00 0.00 C ATOM 1322 C LYS A 80 12.253 13.396 12.259 1.00 0.00 C ATOM 1323 O LYS A 80 12.963 14.396 12.399 1.00 0.00 O ATOM 1324 CB LYS A 80 12.861 13.111 9.840 1.00 0.00 C ATOM 1325 CG LYS A 80 12.459 12.619 8.458 1.00 0.00 C ATOM 1326 CD LYS A 80 13.628 12.641 7.482 1.00 0.00 C ATOM 1327 CE LYS A 80 14.165 14.048 7.274 1.00 0.00 C ATOM 1328 NZ LYS A 80 15.237 14.090 6.243 1.00 0.00 N ATOM 0 H LYS A 80 10.884 14.772 10.173 1.00 0.00 H new ATOM 0 HA LYS A 80 11.403 11.964 10.905 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.178 14.151 9.769 1.00 0.00 H new ATOM 0 HB3 LYS A 80 13.722 12.538 10.185 1.00 0.00 H new ATOM 0 HG2 LYS A 80 12.069 11.604 8.534 1.00 0.00 H new ATOM 0 HG3 LYS A 80 11.652 13.242 8.072 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.426 11.999 7.856 1.00 0.00 H new ATOM 0 HD3 LYS A 80 13.310 12.228 6.525 1.00 0.00 H new ATOM 0 HE2 LYS A 80 13.349 14.707 6.976 1.00 0.00 H new ATOM 0 HE3 LYS A 80 14.555 14.430 8.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 15.575 15.067 6.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 16.027 13.482 6.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 14.859 13.750 5.336 1.00 0.00 H new ATOM 1342 N PRO A 81 11.881 12.631 13.299 1.00 0.00 N ATOM 1343 CA PRO A 81 12.284 12.912 14.689 1.00 0.00 C ATOM 1344 C PRO A 81 13.800 13.001 14.860 1.00 0.00 C ATOM 1345 O PRO A 81 14.558 12.279 14.212 1.00 0.00 O ATOM 1346 CB PRO A 81 11.734 11.716 15.470 1.00 0.00 C ATOM 1347 CG PRO A 81 10.623 11.189 14.632 1.00 0.00 C ATOM 1348 CD PRO A 81 11.032 11.428 13.208 1.00 0.00 C ATOM 0 HA PRO A 81 11.905 13.876 15.027 1.00 0.00 H new ATOM 0 HB2 PRO A 81 12.503 10.960 15.627 1.00 0.00 H new ATOM 0 HB3 PRO A 81 11.377 12.018 16.455 1.00 0.00 H new ATOM 0 HG2 PRO A 81 10.462 10.127 14.819 1.00 0.00 H new ATOM 0 HG3 PRO A 81 9.687 11.698 14.860 1.00 0.00 H new ATOM 0 HD2 PRO A 81 11.579 10.579 12.798 1.00 0.00 H new ATOM 0 HD3 PRO A 81 10.169 11.592 12.563 1.00 0.00 H new ATOM 1356 N GLN A 82 14.225 13.893 15.742 1.00 0.00 N ATOM 1357 CA GLN A 82 15.641 14.148 15.973 1.00 0.00 C ATOM 1358 C GLN A 82 15.937 14.222 17.467 1.00 0.00 C ATOM 1359 O GLN A 82 16.517 15.193 17.958 1.00 0.00 O ATOM 1360 CB GLN A 82 16.085 15.444 15.271 1.00 0.00 C ATOM 1361 CG GLN A 82 14.937 16.330 14.786 1.00 0.00 C ATOM 1362 CD GLN A 82 14.107 16.940 15.905 1.00 0.00 C ATOM 1363 OE1 GLN A 82 12.901 17.144 15.751 1.00 0.00 O ATOM 1364 NE2 GLN A 82 14.738 17.247 17.028 1.00 0.00 N ATOM 0 H GLN A 82 13.601 14.459 16.317 1.00 0.00 H new ATOM 0 HA GLN A 82 16.208 13.319 15.550 1.00 0.00 H new ATOM 0 HB2 GLN A 82 16.706 16.020 15.958 1.00 0.00 H new ATOM 0 HB3 GLN A 82 16.711 15.183 14.418 1.00 0.00 H new ATOM 0 HG2 GLN A 82 15.346 17.133 14.173 1.00 0.00 H new ATOM 0 HG3 GLN A 82 14.283 15.740 14.144 1.00 0.00 H new ATOM 0 HE21 GLN A 82 15.737 17.063 17.118 1.00 0.00 H new ATOM 0 HE22 GLN A 82 14.225 17.667 17.803 1.00 0.00 H new ATOM 1373 N ALA A 83 15.528 13.190 18.187 1.00 0.00 N ATOM 1374 CA ALA A 83 15.741 13.135 19.622 1.00 0.00 C ATOM 1375 C ALA A 83 16.891 12.194 19.954 1.00 0.00 C ATOM 1376 O ALA A 83 16.638 10.995 20.201 1.00 0.00 O ATOM 1377 CB ALA A 83 14.468 12.700 20.329 1.00 0.00 C ATOM 1378 OXT ALA A 83 18.051 12.653 19.955 1.00 0.00 O ATOM 0 H ALA A 83 15.046 12.379 17.800 1.00 0.00 H new ATOM 0 HA ALA A 83 16.005 14.133 19.973 1.00 0.00 H new ATOM 0 HB1 ALA A 83 14.643 12.663 21.404 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.671 13.413 20.115 1.00 0.00 H new ATOM 0 HB3 ALA A 83 14.175 11.711 19.975 1.00 0.00 H new TER 1384 ALA A 83 ATOM 1385 N LYS B 201 2.532 -6.520 -11.468 1.00 0.00 N ATOM 1386 CA LYS B 201 2.446 -5.051 -11.289 1.00 0.00 C ATOM 1387 C LYS B 201 3.194 -4.618 -10.037 1.00 0.00 C ATOM 1388 O LYS B 201 4.124 -3.811 -10.099 1.00 0.00 O ATOM 1389 CB LYS B 201 0.985 -4.604 -11.180 1.00 0.00 C ATOM 1390 CG LYS B 201 0.143 -4.939 -12.398 1.00 0.00 C ATOM 1391 CD LYS B 201 -1.304 -4.519 -12.203 1.00 0.00 C ATOM 1392 CE LYS B 201 -2.179 -4.976 -13.358 1.00 0.00 C ATOM 1393 NZ LYS B 201 -2.279 -6.458 -13.429 1.00 0.00 N ATOM 0 HA LYS B 201 2.902 -4.583 -12.162 1.00 0.00 H new ATOM 0 HB2 LYS B 201 0.538 -5.071 -10.303 1.00 0.00 H new ATOM 0 HB3 LYS B 201 0.957 -3.527 -11.017 1.00 0.00 H new ATOM 0 HG2 LYS B 201 0.554 -4.439 -13.275 1.00 0.00 H new ATOM 0 HG3 LYS B 201 0.190 -6.011 -12.591 1.00 0.00 H new ATOM 0 HD2 LYS B 201 -1.683 -4.938 -11.271 1.00 0.00 H new ATOM 0 HD3 LYS B 201 -1.359 -3.434 -12.111 1.00 0.00 H new ATOM 0 HE2 LYS B 201 -3.176 -4.550 -13.248 1.00 0.00 H new ATOM 0 HE3 LYS B 201 -1.771 -4.595 -14.294 1.00 0.00 H new ATOM 0 HZ1 LYS B 201 -3.068 -6.723 -14.052 1.00 0.00 H new ATOM 0 HZ2 LYS B 201 -1.392 -6.848 -13.808 1.00 0.00 H new ATOM 0 HZ3 LYS B 201 -2.446 -6.841 -12.477 1.00 0.00 H new ATOM 1409 N TRP B 202 2.778 -5.160 -8.904 1.00 0.00 N ATOM 1410 CA TRP B 202 3.352 -4.808 -7.620 1.00 0.00 C ATOM 1411 C TRP B 202 3.675 -6.081 -6.846 1.00 0.00 C ATOM 1412 O TRP B 202 3.293 -6.250 -5.689 1.00 0.00 O ATOM 1413 CB TRP B 202 2.368 -3.927 -6.847 1.00 0.00 C ATOM 1414 CG TRP B 202 2.937 -3.308 -5.609 1.00 0.00 C ATOM 1415 CD1 TRP B 202 4.200 -2.825 -5.433 1.00 0.00 C ATOM 1416 CD2 TRP B 202 2.246 -3.088 -4.377 1.00 0.00 C ATOM 1417 NE1 TRP B 202 4.337 -2.316 -4.164 1.00 0.00 N ATOM 1418 CE2 TRP B 202 3.151 -2.467 -3.496 1.00 0.00 C ATOM 1419 CE3 TRP B 202 0.947 -3.354 -3.935 1.00 0.00 C ATOM 1420 CZ2 TRP B 202 2.802 -2.108 -2.200 1.00 0.00 C ATOM 1421 CZ3 TRP B 202 0.606 -2.996 -2.644 1.00 0.00 C ATOM 1422 CH2 TRP B 202 1.528 -2.379 -1.792 1.00 0.00 C ATOM 0 H TRP B 202 2.034 -5.855 -8.851 1.00 0.00 H new ATOM 0 HA TRP B 202 4.276 -4.247 -7.762 1.00 0.00 H new ATOM 0 HB2 TRP B 202 2.014 -3.134 -7.506 1.00 0.00 H new ATOM 0 HB3 TRP B 202 1.500 -4.526 -6.573 1.00 0.00 H new ATOM 0 HD1 TRP B 202 4.979 -2.840 -6.181 1.00 0.00 H new ATOM 0 HE1 TRP B 202 5.184 -1.895 -3.782 1.00 0.00 H new ATOM 0 HE3 TRP B 202 0.227 -3.828 -4.586 1.00 0.00 H new ATOM 0 HZ2 TRP B 202 3.512 -1.632 -1.540 1.00 0.00 H new ATOM 0 HZ3 TRP B 202 -0.393 -3.197 -2.286 1.00 0.00 H new ATOM 0 HH2 TRP B 202 1.225 -2.111 -0.790 1.00 0.00 H new ATOM 1433 N THR B 203 4.363 -6.986 -7.511 1.00 0.00 N ATOM 1434 CA THR B 203 4.724 -8.255 -6.921 1.00 0.00 C ATOM 1435 C THR B 203 5.993 -8.139 -6.079 1.00 0.00 C ATOM 1436 O THR B 203 6.433 -7.028 -5.763 1.00 0.00 O ATOM 1437 CB THR B 203 4.887 -9.333 -8.005 1.00 0.00 C ATOM 1438 OG1 THR B 203 5.099 -8.713 -9.281 1.00 0.00 O ATOM 1439 CG2 THR B 203 3.656 -10.224 -8.065 1.00 0.00 C ATOM 0 H THR B 203 4.686 -6.862 -8.471 1.00 0.00 H new ATOM 0 HA THR B 203 3.913 -8.554 -6.257 1.00 0.00 H new ATOM 0 HB THR B 203 5.750 -9.949 -7.753 1.00 0.00 H new ATOM 0 HG1 THR B 203 5.899 -8.149 -9.242 1.00 0.00 H new ATOM 0 HG21 THR B 203 3.791 -10.980 -8.838 1.00 0.00 H new ATOM 0 HG22 THR B 203 3.513 -10.712 -7.101 1.00 0.00 H new ATOM 0 HG23 THR B 203 2.780 -9.619 -8.299 1.00 0.00 H new ATOM 1447 N LEU B 204 6.562 -9.280 -5.700 1.00 0.00 N ATOM 1448 CA LEU B 204 7.701 -9.316 -4.785 1.00 0.00 C ATOM 1449 C LEU B 204 8.836 -8.379 -5.206 1.00 0.00 C ATOM 1450 O LEU B 204 9.533 -7.848 -4.345 1.00 0.00 O ATOM 1451 CB LEU B 204 8.246 -10.743 -4.619 1.00 0.00 C ATOM 1452 CG LEU B 204 8.752 -11.439 -5.890 1.00 0.00 C ATOM 1453 CD1 LEU B 204 9.736 -12.535 -5.525 1.00 0.00 C ATOM 1454 CD2 LEU B 204 7.596 -12.035 -6.677 1.00 0.00 C ATOM 0 H LEU B 204 6.251 -10.199 -6.015 1.00 0.00 H new ATOM 0 HA LEU B 204 7.318 -8.963 -3.827 1.00 0.00 H new ATOM 0 HB2 LEU B 204 9.063 -10.714 -3.899 1.00 0.00 H new ATOM 0 HB3 LEU B 204 7.459 -11.359 -4.184 1.00 0.00 H new ATOM 0 HG LEU B 204 9.250 -10.694 -6.511 1.00 0.00 H new ATOM 0 HD11 LEU B 204 10.090 -13.023 -6.433 1.00 0.00 H new ATOM 0 HD12 LEU B 204 10.583 -12.101 -4.993 1.00 0.00 H new ATOM 0 HD13 LEU B 204 9.243 -13.269 -4.887 1.00 0.00 H new ATOM 0 HD21 LEU B 204 7.979 -12.523 -7.573 1.00 0.00 H new ATOM 0 HD22 LEU B 204 7.075 -12.767 -6.060 1.00 0.00 H new ATOM 0 HD23 LEU B 204 6.904 -11.243 -6.963 1.00 0.00 H new ATOM 1466 N GLU B 205 9.015 -8.170 -6.511 1.00 0.00 N ATOM 1467 CA GLU B 205 10.108 -7.329 -7.002 1.00 0.00 C ATOM 1468 C GLU B 205 10.108 -5.972 -6.303 1.00 0.00 C ATOM 1469 O GLU B 205 10.946 -5.707 -5.435 1.00 0.00 O ATOM 1470 CB GLU B 205 10.026 -7.102 -8.518 1.00 0.00 C ATOM 1471 CG GLU B 205 9.776 -8.353 -9.341 1.00 0.00 C ATOM 1472 CD GLU B 205 8.310 -8.715 -9.398 1.00 0.00 C ATOM 1473 OE1 GLU B 205 7.935 -9.777 -8.873 1.00 0.00 O ATOM 1474 OE2 GLU B 205 7.521 -7.921 -9.954 1.00 0.00 O ATOM 0 H GLU B 205 8.424 -8.567 -7.241 1.00 0.00 H new ATOM 0 HA GLU B 205 11.032 -7.863 -6.778 1.00 0.00 H new ATOM 0 HB2 GLU B 205 9.229 -6.387 -8.721 1.00 0.00 H new ATOM 0 HB3 GLU B 205 10.957 -6.645 -8.853 1.00 0.00 H new ATOM 0 HG2 GLU B 205 10.151 -8.201 -10.353 1.00 0.00 H new ATOM 0 HG3 GLU B 205 10.338 -9.184 -8.915 1.00 0.00 H new ATOM 1481 N ARG B 206 9.145 -5.134 -6.661 1.00 0.00 N ATOM 1482 CA ARG B 206 9.075 -3.775 -6.146 1.00 0.00 C ATOM 1483 C ARG B 206 8.857 -3.777 -4.637 1.00 0.00 C ATOM 1484 O ARG B 206 9.672 -3.241 -3.879 1.00 0.00 O ATOM 1485 CB ARG B 206 7.949 -3.007 -6.847 1.00 0.00 C ATOM 1486 CG ARG B 206 7.806 -1.561 -6.393 1.00 0.00 C ATOM 1487 CD ARG B 206 6.741 -0.826 -7.197 1.00 0.00 C ATOM 1488 NE ARG B 206 7.051 -0.805 -8.625 1.00 0.00 N ATOM 1489 CZ ARG B 206 6.293 -0.222 -9.552 1.00 0.00 C ATOM 1490 NH1 ARG B 206 5.151 0.366 -9.217 1.00 0.00 N ATOM 1491 NH2 ARG B 206 6.679 -0.233 -10.820 1.00 0.00 N ATOM 0 H ARG B 206 8.397 -5.375 -7.311 1.00 0.00 H new ATOM 0 HA ARG B 206 10.024 -3.278 -6.350 1.00 0.00 H new ATOM 0 HB2 ARG B 206 8.128 -3.023 -7.922 1.00 0.00 H new ATOM 0 HB3 ARG B 206 7.007 -3.526 -6.673 1.00 0.00 H new ATOM 0 HG2 ARG B 206 7.547 -1.535 -5.335 1.00 0.00 H new ATOM 0 HG3 ARG B 206 8.762 -1.049 -6.500 1.00 0.00 H new ATOM 0 HD2 ARG B 206 5.775 -1.306 -7.043 1.00 0.00 H new ATOM 0 HD3 ARG B 206 6.651 0.197 -6.830 1.00 0.00 H new ATOM 0 HE ARG B 206 7.906 -1.268 -8.933 1.00 0.00 H new ATOM 0 HH11 ARG B 206 4.848 0.374 -8.243 1.00 0.00 H new ATOM 0 HH12 ARG B 206 4.577 0.810 -9.933 1.00 0.00 H new ATOM 0 HH21 ARG B 206 7.554 -0.687 -11.083 1.00 0.00 H new ATOM 0 HH22 ARG B 206 6.101 0.212 -11.533 1.00 0.00 H new ATOM 1505 N LEU B 207 7.770 -4.408 -4.209 1.00 0.00 N ATOM 1506 CA LEU B 207 7.381 -4.387 -2.810 1.00 0.00 C ATOM 1507 C LEU B 207 8.419 -5.065 -1.930 1.00 0.00 C ATOM 1508 O LEU B 207 9.122 -4.400 -1.184 1.00 0.00 O ATOM 1509 CB LEU B 207 6.016 -5.052 -2.620 1.00 0.00 C ATOM 1510 CG LEU B 207 5.525 -5.141 -1.171 1.00 0.00 C ATOM 1511 CD1 LEU B 207 5.494 -3.768 -0.518 1.00 0.00 C ATOM 1512 CD2 LEU B 207 4.152 -5.772 -1.129 1.00 0.00 C ATOM 0 H LEU B 207 7.144 -4.940 -4.814 1.00 0.00 H new ATOM 0 HA LEU B 207 7.313 -3.342 -2.506 1.00 0.00 H new ATOM 0 HB2 LEU B 207 5.278 -4.501 -3.203 1.00 0.00 H new ATOM 0 HB3 LEU B 207 6.061 -6.060 -3.033 1.00 0.00 H new ATOM 0 HG LEU B 207 6.222 -5.764 -0.611 1.00 0.00 H new ATOM 0 HD11 LEU B 207 5.142 -3.862 0.509 1.00 0.00 H new ATOM 0 HD12 LEU B 207 6.497 -3.341 -0.520 1.00 0.00 H new ATOM 0 HD13 LEU B 207 4.821 -3.116 -1.074 1.00 0.00 H new ATOM 0 HD21 LEU B 207 3.810 -5.832 -0.096 1.00 0.00 H new ATOM 0 HD22 LEU B 207 3.455 -5.165 -1.707 1.00 0.00 H new ATOM 0 HD23 LEU B 207 4.199 -6.775 -1.554 1.00 0.00 H new ATOM 1524 N LYS B 208 8.539 -6.377 -2.059 1.00 0.00 N ATOM 1525 CA LYS B 208 9.326 -7.174 -1.127 1.00 0.00 C ATOM 1526 C LYS B 208 10.795 -6.759 -1.100 1.00 0.00 C ATOM 1527 O LYS B 208 11.391 -6.656 -0.026 1.00 0.00 O ATOM 1528 CB LYS B 208 9.201 -8.658 -1.476 1.00 0.00 C ATOM 1529 CG LYS B 208 9.989 -9.588 -0.565 1.00 0.00 C ATOM 1530 CD LYS B 208 9.851 -11.042 -1.003 1.00 0.00 C ATOM 1531 CE LYS B 208 8.390 -11.456 -1.138 1.00 0.00 C ATOM 1532 NZ LYS B 208 8.244 -12.858 -1.612 1.00 0.00 N ATOM 0 H LYS B 208 8.099 -6.917 -2.804 1.00 0.00 H new ATOM 0 HA LYS B 208 8.926 -6.996 -0.129 1.00 0.00 H new ATOM 0 HB2 LYS B 208 8.149 -8.940 -1.439 1.00 0.00 H new ATOM 0 HB3 LYS B 208 9.535 -8.806 -2.503 1.00 0.00 H new ATOM 0 HG2 LYS B 208 11.041 -9.302 -0.572 1.00 0.00 H new ATOM 0 HG3 LYS B 208 9.637 -9.480 0.461 1.00 0.00 H new ATOM 0 HD2 LYS B 208 10.359 -11.184 -1.957 1.00 0.00 H new ATOM 0 HD3 LYS B 208 10.347 -11.688 -0.279 1.00 0.00 H new ATOM 0 HE2 LYS B 208 7.893 -11.347 -0.174 1.00 0.00 H new ATOM 0 HE3 LYS B 208 7.887 -10.785 -1.834 1.00 0.00 H new ATOM 0 HZ1 LYS B 208 7.324 -12.971 -2.084 1.00 0.00 H new ATOM 0 HZ2 LYS B 208 9.007 -13.079 -2.283 1.00 0.00 H new ATOM 0 HZ3 LYS B 208 8.298 -13.506 -0.801 1.00 0.00 H new ATOM 1546 N ARG B 209 11.379 -6.494 -2.267 1.00 0.00 N ATOM 1547 CA ARG B 209 12.808 -6.215 -2.325 1.00 0.00 C ATOM 1548 C ARG B 209 13.146 -4.832 -1.775 1.00 0.00 C ATOM 1549 O ARG B 209 14.246 -4.624 -1.267 1.00 0.00 O ATOM 1550 CB ARG B 209 13.361 -6.379 -3.742 1.00 0.00 C ATOM 1551 CG ARG B 209 13.702 -7.820 -4.099 1.00 0.00 C ATOM 1552 CD ARG B 209 12.460 -8.679 -4.288 1.00 0.00 C ATOM 1553 NE ARG B 209 12.792 -10.095 -4.425 1.00 0.00 N ATOM 1554 CZ ARG B 209 12.870 -10.740 -5.587 1.00 0.00 C ATOM 1555 NH1 ARG B 209 12.702 -10.089 -6.730 1.00 0.00 N ATOM 1556 NH2 ARG B 209 13.135 -12.038 -5.602 1.00 0.00 N ATOM 0 H ARG B 209 10.896 -6.467 -3.165 1.00 0.00 H new ATOM 0 HA ARG B 209 13.292 -6.953 -1.686 1.00 0.00 H new ATOM 0 HB2 ARG B 209 12.629 -6.000 -4.455 1.00 0.00 H new ATOM 0 HB3 ARG B 209 14.256 -5.766 -3.847 1.00 0.00 H new ATOM 0 HG2 ARG B 209 14.294 -7.835 -5.014 1.00 0.00 H new ATOM 0 HG3 ARG B 209 14.322 -8.250 -3.312 1.00 0.00 H new ATOM 0 HD2 ARG B 209 11.792 -8.543 -3.437 1.00 0.00 H new ATOM 0 HD3 ARG B 209 11.919 -8.346 -5.174 1.00 0.00 H new ATOM 0 HE ARG B 209 12.976 -10.625 -3.573 1.00 0.00 H new ATOM 0 HH11 ARG B 209 12.512 -9.087 -6.723 1.00 0.00 H new ATOM 0 HH12 ARG B 209 12.763 -10.590 -7.616 1.00 0.00 H new ATOM 0 HH21 ARG B 209 13.278 -12.539 -4.725 1.00 0.00 H new ATOM 0 HH22 ARG B 209 13.196 -12.536 -6.490 1.00 0.00 H new ATOM 1570 N LYS B 210 12.217 -3.885 -1.864 1.00 0.00 N ATOM 1571 CA LYS B 210 12.460 -2.571 -1.282 1.00 0.00 C ATOM 1572 C LYS B 210 11.953 -2.520 0.159 1.00 0.00 C ATOM 1573 O LYS B 210 12.489 -1.790 0.996 1.00 0.00 O ATOM 1574 CB LYS B 210 11.810 -1.470 -2.120 1.00 0.00 C ATOM 1575 CG LYS B 210 12.186 -0.071 -1.660 1.00 0.00 C ATOM 1576 CD LYS B 210 11.690 0.991 -2.621 1.00 0.00 C ATOM 1577 CE LYS B 210 12.072 2.386 -2.157 1.00 0.00 C ATOM 1578 NZ LYS B 210 13.545 2.554 -2.038 1.00 0.00 N ATOM 0 H LYS B 210 11.312 -3.998 -2.321 1.00 0.00 H new ATOM 0 HA LYS B 210 13.536 -2.399 -1.277 1.00 0.00 H new ATOM 0 HB2 LYS B 210 12.103 -1.594 -3.163 1.00 0.00 H new ATOM 0 HB3 LYS B 210 10.727 -1.581 -2.078 1.00 0.00 H new ATOM 0 HG2 LYS B 210 11.767 0.111 -0.670 1.00 0.00 H new ATOM 0 HG3 LYS B 210 13.270 0.002 -1.566 1.00 0.00 H new ATOM 0 HD2 LYS B 210 12.107 0.809 -3.612 1.00 0.00 H new ATOM 0 HD3 LYS B 210 10.606 0.922 -2.713 1.00 0.00 H new ATOM 0 HE2 LYS B 210 11.680 3.121 -2.860 1.00 0.00 H new ATOM 0 HE3 LYS B 210 11.606 2.587 -1.192 1.00 0.00 H new ATOM 0 HZ1 LYS B 210 13.772 3.564 -1.936 1.00 0.00 H new ATOM 0 HZ2 LYS B 210 13.887 2.036 -1.203 1.00 0.00 H new ATOM 0 HZ3 LYS B 210 14.007 2.180 -2.891 1.00 0.00 H new ATOM 1592 N TYR B 211 10.926 -3.311 0.439 1.00 0.00 N ATOM 1593 CA TYR B 211 10.359 -3.419 1.779 1.00 0.00 C ATOM 1594 C TYR B 211 11.410 -3.927 2.757 1.00 0.00 C ATOM 1595 O TYR B 211 11.746 -3.259 3.734 1.00 0.00 O ATOM 1596 CB TYR B 211 9.161 -4.382 1.751 1.00 0.00 C ATOM 1597 CG TYR B 211 8.428 -4.545 3.062 1.00 0.00 C ATOM 1598 CD1 TYR B 211 7.131 -4.082 3.199 1.00 0.00 C ATOM 1599 CD2 TYR B 211 9.020 -5.170 4.155 1.00 0.00 C ATOM 1600 CE1 TYR B 211 6.443 -4.236 4.389 1.00 0.00 C ATOM 1601 CE2 TYR B 211 8.341 -5.325 5.346 1.00 0.00 C ATOM 1602 CZ TYR B 211 7.051 -4.855 5.457 1.00 0.00 C ATOM 1603 OH TYR B 211 6.367 -5.009 6.641 1.00 0.00 O ATOM 0 H TYR B 211 10.462 -3.896 -0.255 1.00 0.00 H new ATOM 0 HA TYR B 211 10.026 -2.434 2.106 1.00 0.00 H new ATOM 0 HB2 TYR B 211 8.453 -4.032 1.000 1.00 0.00 H new ATOM 0 HB3 TYR B 211 9.512 -5.362 1.426 1.00 0.00 H new ATOM 0 HD1 TYR B 211 6.649 -3.594 2.365 1.00 0.00 H new ATOM 0 HD2 TYR B 211 10.031 -5.541 4.069 1.00 0.00 H new ATOM 0 HE1 TYR B 211 5.431 -3.871 4.480 1.00 0.00 H new ATOM 0 HE2 TYR B 211 8.817 -5.811 6.185 1.00 0.00 H new ATOM 0 HH TYR B 211 6.939 -5.467 7.292 1.00 0.00 H new ATOM 1613 N ARG B 212 11.925 -5.113 2.479 1.00 0.00 N ATOM 1614 CA ARG B 212 12.876 -5.762 3.365 1.00 0.00 C ATOM 1615 C ARG B 212 14.294 -5.283 3.076 1.00 0.00 C ATOM 1616 O ARG B 212 15.136 -5.252 3.970 1.00 0.00 O ATOM 1617 CB ARG B 212 12.778 -7.279 3.202 1.00 0.00 C ATOM 1618 CG ARG B 212 13.688 -8.061 4.132 1.00 0.00 C ATOM 1619 CD ARG B 212 13.585 -9.552 3.870 1.00 0.00 C ATOM 1620 NE ARG B 212 13.857 -9.875 2.470 1.00 0.00 N ATOM 1621 CZ ARG B 212 13.381 -10.950 1.847 1.00 0.00 C ATOM 1622 NH1 ARG B 212 12.624 -11.823 2.502 1.00 0.00 N ATOM 1623 NH2 ARG B 212 13.667 -11.155 0.567 1.00 0.00 N ATOM 0 H ARG B 212 11.698 -5.649 1.641 1.00 0.00 H new ATOM 0 HA ARG B 212 12.636 -5.499 4.395 1.00 0.00 H new ATOM 0 HB2 ARG B 212 11.747 -7.587 3.376 1.00 0.00 H new ATOM 0 HB3 ARG B 212 13.019 -7.539 2.171 1.00 0.00 H new ATOM 0 HG2 ARG B 212 14.719 -7.735 3.996 1.00 0.00 H new ATOM 0 HG3 ARG B 212 13.422 -7.851 5.168 1.00 0.00 H new ATOM 0 HD2 ARG B 212 14.290 -10.083 4.510 1.00 0.00 H new ATOM 0 HD3 ARG B 212 12.587 -9.900 4.137 1.00 0.00 H new ATOM 0 HE ARG B 212 14.448 -9.237 1.938 1.00 0.00 H new ATOM 0 HH11 ARG B 212 12.405 -11.671 3.487 1.00 0.00 H new ATOM 0 HH12 ARG B 212 12.261 -12.646 2.020 1.00 0.00 H new ATOM 0 HH21 ARG B 212 14.251 -10.489 0.062 1.00 0.00 H new ATOM 0 HH22 ARG B 212 13.303 -11.979 0.089 1.00 0.00 H new ATOM 1637 N ASN B 213 14.532 -4.892 1.825 1.00 0.00 N ATOM 1638 CA ASN B 213 15.845 -4.432 1.373 1.00 0.00 C ATOM 1639 C ASN B 213 16.861 -5.568 1.406 1.00 0.00 C ATOM 1640 O ASN B 213 17.451 -5.826 2.475 1.00 0.00 O ATOM 1641 CB ASN B 213 16.340 -3.237 2.200 1.00 0.00 C ATOM 1642 CG ASN B 213 17.724 -2.773 1.780 1.00 0.00 C ATOM 1643 OD1 ASN B 213 17.871 -1.979 0.853 1.00 0.00 O ATOM 1644 ND2 ASN B 213 18.750 -3.260 2.461 1.00 0.00 N ATOM 1645 OXT ASN B 213 17.062 -6.206 0.351 1.00 0.00 O ATOM 0 H ASN B 213 13.819 -4.885 1.095 1.00 0.00 H new ATOM 0 HA ASN B 213 15.737 -4.098 0.341 1.00 0.00 H new ATOM 0 HB2 ASN B 213 15.636 -2.411 2.096 1.00 0.00 H new ATOM 0 HB3 ASN B 213 16.357 -3.511 3.255 1.00 0.00 H new ATOM 0 HD21 ASN B 213 19.701 -2.978 2.222 1.00 0.00 H new ATOM 0 HD22 ASN B 213 18.590 -3.917 3.224 1.00 0.00 H new TER 1652 ASN B 213