USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 591 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 36 SER OG : rot 170:sc= 0.422 USER MOD Set 1.2: A 43 LYS NZ :NH3+ -137:sc= 1.89 (180deg=0.754) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -155:sc= 2.31 (180deg=1.26) USER MOD Single : A 13 MET CE :methyl -178:sc= -0.812 (180deg=-0.83) USER MOD Single : A 14 THR OG1 : rot -33:sc= 0.927 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS :FLIP no HD1:sc= -0.456 F(o=-1,f=-0.46) USER MOD Single : A 21 LYS NZ :NH3+ -153:sc= 0.135 (180deg=-1.5) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -80:sc= 0.339 USER MOD Single : A 28 LYS NZ :NH3+ 174:sc= -0.188 (180deg=-0.252) USER MOD Single : A 29 HIS : no HE2:sc= -0.282 K(o=-0.28,f=-1.1) USER MOD Single : A 34 TYR OH : rot 166:sc= 0 USER MOD Single : A 35 CYS SG : rot -160:sc=-0.00161 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.028 USER MOD Single : A 42 ASN : amide:sc= 0.61 K(o=0.61,f=-10!) USER MOD Single : A 45 HIS : no HE2:sc= 0.419 K(o=0.42,f=-4.4!) USER MOD Single : A 47 LYS NZ :NH3+ -156:sc= 1.21 (180deg=1.1) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc=-0.00757 X(o=-0.0076,f=-0.015) USER MOD Single : A 61 THR OG1 : rot 71:sc= 1.04 USER MOD Single : A 64 SER OG : rot -26:sc= 0.343 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 161:sc= 0.907 (180deg=-1.88!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.528 -15.680 -0.872 1.00 6.41 N ATOM 2 CA MET A 1 -8.269 -16.797 -1.486 1.00 5.71 C ATOM 3 C MET A 1 -7.988 -16.849 -2.989 1.00 4.38 C ATOM 4 O MET A 1 -7.331 -17.774 -3.453 1.00 4.33 O ATOM 5 CB MET A 1 -9.771 -16.675 -1.173 1.00 6.90 C ATOM 6 CG MET A 1 -10.643 -17.703 -1.912 1.00 7.49 C ATOM 7 SD MET A 1 -10.202 -19.436 -1.641 1.00 7.62 S ATOM 8 CE MET A 1 -11.397 -20.231 -2.740 1.00 8.65 C ATOM 0 H1 MET A 1 -7.368 -15.882 0.136 1.00 6.41 H new ATOM 0 H2 MET A 1 -6.612 -15.565 -1.352 1.00 6.41 H new ATOM 0 H3 MET A 1 -8.080 -14.804 -0.966 1.00 6.41 H new ATOM 0 HA MET A 1 -7.929 -17.741 -1.060 1.00 5.71 H new ATOM 0 HB2 MET A 1 -9.920 -16.791 -0.099 1.00 6.90 H new ATOM 0 HB3 MET A 1 -10.107 -15.672 -1.435 1.00 6.90 H new ATOM 0 HG2 MET A 1 -11.680 -17.558 -1.609 1.00 7.49 H new ATOM 0 HG3 MET A 1 -10.591 -17.496 -2.981 1.00 7.49 H new ATOM 0 HE1 MET A 1 -11.267 -21.312 -2.698 1.00 8.65 H new ATOM 0 HE2 MET A 1 -12.408 -19.975 -2.424 1.00 8.65 H new ATOM 0 HE3 MET A 1 -11.237 -19.886 -3.762 1.00 8.65 H new ATOM 20 N GLY A 2 -8.434 -15.833 -3.729 1.00 4.21 N ATOM 21 CA GLY A 2 -8.060 -15.614 -5.123 1.00 4.00 C ATOM 22 C GLY A 2 -7.258 -14.321 -5.152 1.00 3.49 C ATOM 23 O GLY A 2 -7.529 -13.427 -5.949 1.00 4.38 O ATOM 0 H GLY A 2 -9.077 -15.128 -3.368 1.00 4.21 H new ATOM 0 HA2 GLY A 2 -7.468 -16.447 -5.502 1.00 4.00 H new ATOM 0 HA3 GLY A 2 -8.944 -15.537 -5.755 1.00 4.00 H new ATOM 27 N ASP A 3 -6.343 -14.223 -4.184 1.00 2.66 N ATOM 28 CA ASP A 3 -5.826 -13.001 -3.600 1.00 2.34 C ATOM 29 C ASP A 3 -5.060 -13.404 -2.345 1.00 1.56 C ATOM 30 O ASP A 3 -5.341 -14.462 -1.765 1.00 2.56 O ATOM 31 CB ASP A 3 -6.955 -12.025 -3.210 1.00 3.44 C ATOM 32 CG ASP A 3 -7.840 -12.510 -2.067 1.00 3.61 C ATOM 33 OD1 ASP A 3 -8.421 -13.614 -2.194 1.00 4.19 O ATOM 34 OD2 ASP A 3 -7.932 -11.785 -1.054 1.00 4.24 O ATOM 0 H ASP A 3 -5.922 -15.053 -3.767 1.00 2.66 H new ATOM 0 HA ASP A 3 -5.194 -12.489 -4.326 1.00 2.34 H new ATOM 0 HB2 ASP A 3 -6.512 -11.069 -2.930 1.00 3.44 H new ATOM 0 HB3 ASP A 3 -7.579 -11.843 -4.085 1.00 3.44 H new ATOM 39 N GLY A 4 -4.132 -12.549 -1.922 1.00 0.90 N ATOM 40 CA GLY A 4 -3.441 -12.609 -0.646 1.00 1.36 C ATOM 41 C GLY A 4 -3.384 -11.197 -0.068 1.00 1.07 C ATOM 42 O GLY A 4 -3.683 -10.234 -0.775 1.00 1.37 O ATOM 0 H GLY A 4 -3.830 -11.758 -2.491 1.00 0.90 H new ATOM 0 HA2 GLY A 4 -3.963 -13.279 0.038 1.00 1.36 H new ATOM 0 HA3 GLY A 4 -2.435 -13.007 -0.777 1.00 1.36 H new ATOM 46 N VAL A 5 -3.019 -11.078 1.210 1.00 0.93 N ATOM 47 CA VAL A 5 -2.894 -9.812 1.925 1.00 0.88 C ATOM 48 C VAL A 5 -1.423 -9.392 1.936 1.00 1.05 C ATOM 49 O VAL A 5 -0.542 -10.247 2.033 1.00 1.57 O ATOM 50 CB VAL A 5 -3.446 -9.973 3.355 1.00 1.12 C ATOM 51 CG1 VAL A 5 -3.139 -8.765 4.246 1.00 2.66 C ATOM 52 CG2 VAL A 5 -4.961 -10.212 3.342 1.00 1.87 C ATOM 0 H VAL A 5 -2.796 -11.886 1.791 1.00 0.93 H new ATOM 0 HA VAL A 5 -3.472 -9.033 1.428 1.00 0.88 H new ATOM 0 HB VAL A 5 -2.940 -10.843 3.774 1.00 1.12 H new ATOM 0 HG11 VAL A 5 -3.551 -8.933 5.241 1.00 2.66 H new ATOM 0 HG12 VAL A 5 -2.060 -8.631 4.318 1.00 2.66 H new ATOM 0 HG13 VAL A 5 -3.588 -7.871 3.814 1.00 2.66 H new ATOM 0 HG21 VAL A 5 -5.321 -10.322 4.365 1.00 1.87 H new ATOM 0 HG22 VAL A 5 -5.459 -9.364 2.871 1.00 1.87 H new ATOM 0 HG23 VAL A 5 -5.181 -11.120 2.781 1.00 1.87 H new ATOM 62 N LEU A 6 -1.154 -8.086 1.854 1.00 0.90 N ATOM 63 CA LEU A 6 0.145 -7.493 2.140 1.00 1.05 C ATOM 64 C LEU A 6 -0.104 -6.374 3.143 1.00 0.97 C ATOM 65 O LEU A 6 -0.914 -5.492 2.870 1.00 0.95 O ATOM 66 CB LEU A 6 0.792 -6.969 0.848 1.00 1.12 C ATOM 67 CG LEU A 6 2.206 -6.395 1.041 1.00 1.39 C ATOM 68 CD1 LEU A 6 3.231 -7.497 1.341 1.00 1.97 C ATOM 69 CD2 LEU A 6 2.626 -5.653 -0.235 1.00 2.66 C ATOM 0 H LEU A 6 -1.855 -7.398 1.579 1.00 0.90 H new ATOM 0 HA LEU A 6 0.839 -8.224 2.554 1.00 1.05 H new ATOM 0 HB2 LEU A 6 0.837 -7.781 0.122 1.00 1.12 H new ATOM 0 HB3 LEU A 6 0.153 -6.196 0.422 1.00 1.12 H new ATOM 0 HG LEU A 6 2.181 -5.715 1.893 1.00 1.39 H new ATOM 0 HD11 LEU A 6 4.217 -7.051 1.471 1.00 1.97 H new ATOM 0 HD12 LEU A 6 2.946 -8.020 2.254 1.00 1.97 H new ATOM 0 HD13 LEU A 6 3.259 -8.204 0.512 1.00 1.97 H new ATOM 0 HD21 LEU A 6 3.628 -5.244 -0.105 1.00 2.66 H new ATOM 0 HD22 LEU A 6 2.624 -6.346 -1.076 1.00 2.66 H new ATOM 0 HD23 LEU A 6 1.925 -4.842 -0.431 1.00 2.66 H new ATOM 81 N GLU A 7 0.555 -6.420 4.303 1.00 1.24 N ATOM 82 CA GLU A 7 0.429 -5.409 5.341 1.00 1.14 C ATOM 83 C GLU A 7 1.802 -4.814 5.595 1.00 1.08 C ATOM 84 O GLU A 7 2.759 -5.551 5.833 1.00 1.51 O ATOM 85 CB GLU A 7 -0.182 -6.016 6.608 1.00 1.42 C ATOM 86 CG GLU A 7 -1.684 -6.163 6.367 1.00 1.82 C ATOM 87 CD GLU A 7 -2.403 -6.995 7.418 1.00 2.74 C ATOM 88 OE1 GLU A 7 -2.018 -8.174 7.579 1.00 4.09 O ATOM 89 OE2 GLU A 7 -3.367 -6.449 7.995 1.00 2.92 O ATOM 0 H GLU A 7 1.199 -7.173 4.546 1.00 1.24 H new ATOM 0 HA GLU A 7 -0.245 -4.614 5.022 1.00 1.14 H new ATOM 0 HB2 GLU A 7 0.268 -6.985 6.825 1.00 1.42 H new ATOM 0 HB3 GLU A 7 0.007 -5.376 7.470 1.00 1.42 H new ATOM 0 HG2 GLU A 7 -2.135 -5.171 6.334 1.00 1.82 H new ATOM 0 HG3 GLU A 7 -1.841 -6.618 5.389 1.00 1.82 H new ATOM 96 N LEU A 8 1.895 -3.487 5.519 1.00 0.84 N ATOM 97 CA LEU A 8 3.127 -2.768 5.773 1.00 0.86 C ATOM 98 C LEU A 8 2.841 -1.520 6.593 1.00 0.76 C ATOM 99 O LEU A 8 1.725 -1.007 6.570 1.00 0.79 O ATOM 100 CB LEU A 8 3.907 -2.506 4.466 1.00 1.07 C ATOM 101 CG LEU A 8 3.266 -1.730 3.299 1.00 1.15 C ATOM 102 CD1 LEU A 8 2.075 -2.439 2.647 1.00 1.65 C ATOM 103 CD2 LEU A 8 2.949 -0.268 3.623 1.00 3.05 C ATOM 0 H LEU A 8 1.109 -2.884 5.277 1.00 0.84 H new ATOM 0 HA LEU A 8 3.793 -3.385 6.375 1.00 0.86 H new ATOM 0 HB2 LEU A 8 4.819 -1.975 4.740 1.00 1.07 H new ATOM 0 HB3 LEU A 8 4.209 -3.477 4.075 1.00 1.07 H new ATOM 0 HG LEU A 8 4.054 -1.714 2.546 1.00 1.15 H new ATOM 0 HD11 LEU A 8 1.685 -1.824 1.836 1.00 1.65 H new ATOM 0 HD12 LEU A 8 2.397 -3.401 2.250 1.00 1.65 H new ATOM 0 HD13 LEU A 8 1.294 -2.597 3.391 1.00 1.65 H new ATOM 0 HD21 LEU A 8 2.501 0.209 2.751 1.00 3.05 H new ATOM 0 HD22 LEU A 8 2.252 -0.224 4.460 1.00 3.05 H new ATOM 0 HD23 LEU A 8 3.869 0.253 3.889 1.00 3.05 H new ATOM 115 N VAL A 9 3.853 -1.041 7.317 1.00 0.75 N ATOM 116 CA VAL A 9 3.854 0.264 7.934 1.00 0.73 C ATOM 117 C VAL A 9 4.171 1.221 6.796 1.00 0.69 C ATOM 118 O VAL A 9 5.269 1.171 6.242 1.00 1.03 O ATOM 119 CB VAL A 9 4.902 0.291 9.069 1.00 0.77 C ATOM 120 CG1 VAL A 9 5.578 1.652 9.247 1.00 0.80 C ATOM 121 CG2 VAL A 9 4.243 -0.064 10.402 1.00 0.92 C ATOM 0 H VAL A 9 4.708 -1.569 7.488 1.00 0.75 H new ATOM 0 HA VAL A 9 2.910 0.538 8.404 1.00 0.73 H new ATOM 0 HB VAL A 9 5.661 -0.436 8.781 1.00 0.77 H new ATOM 0 HG11 VAL A 9 6.301 1.596 10.061 1.00 0.80 H new ATOM 0 HG12 VAL A 9 6.090 1.927 8.325 1.00 0.80 H new ATOM 0 HG13 VAL A 9 4.825 2.404 9.482 1.00 0.80 H new ATOM 0 HG21 VAL A 9 4.991 -0.042 11.195 1.00 0.92 H new ATOM 0 HG22 VAL A 9 3.458 0.659 10.624 1.00 0.92 H new ATOM 0 HG23 VAL A 9 3.810 -1.062 10.339 1.00 0.92 H new ATOM 131 N VAL A 10 3.204 2.053 6.410 1.00 0.55 N ATOM 132 CA VAL A 10 3.457 3.182 5.553 1.00 0.64 C ATOM 133 C VAL A 10 4.037 4.288 6.435 1.00 0.68 C ATOM 134 O VAL A 10 3.578 4.491 7.560 1.00 1.25 O ATOM 135 CB VAL A 10 2.146 3.575 4.861 1.00 0.96 C ATOM 136 CG1 VAL A 10 1.162 4.262 5.815 1.00 2.81 C ATOM 137 CG2 VAL A 10 2.441 4.477 3.667 1.00 2.08 C ATOM 0 H VAL A 10 2.228 1.953 6.689 1.00 0.55 H new ATOM 0 HA VAL A 10 4.173 2.967 4.760 1.00 0.64 H new ATOM 0 HB VAL A 10 1.669 2.656 4.520 1.00 0.96 H new ATOM 0 HG11 VAL A 10 0.251 4.519 5.275 1.00 2.81 H new ATOM 0 HG12 VAL A 10 0.919 3.587 6.635 1.00 2.81 H new ATOM 0 HG13 VAL A 10 1.616 5.169 6.214 1.00 2.81 H new ATOM 0 HG21 VAL A 10 1.506 4.753 3.180 1.00 2.08 H new ATOM 0 HG22 VAL A 10 2.951 5.377 4.009 1.00 2.08 H new ATOM 0 HG23 VAL A 10 3.077 3.946 2.958 1.00 2.08 H new ATOM 147 N ARG A 11 5.062 4.973 5.940 1.00 0.56 N ATOM 148 CA ARG A 11 5.760 6.048 6.625 1.00 0.62 C ATOM 149 C ARG A 11 6.056 7.151 5.613 1.00 0.59 C ATOM 150 O ARG A 11 5.761 7.006 4.424 1.00 1.02 O ATOM 151 CB ARG A 11 7.041 5.487 7.260 1.00 0.82 C ATOM 152 CG ARG A 11 6.812 4.992 8.686 1.00 1.49 C ATOM 153 CD ARG A 11 6.813 6.158 9.681 1.00 2.62 C ATOM 154 NE ARG A 11 6.178 5.768 10.944 1.00 3.82 N ATOM 155 CZ ARG A 11 6.689 4.956 11.876 1.00 4.70 C ATOM 156 NH1 ARG A 11 7.931 4.480 11.751 1.00 4.64 N ATOM 157 NH2 ARG A 11 5.922 4.631 12.921 1.00 6.23 N ATOM 0 H ARG A 11 5.443 4.785 5.013 1.00 0.56 H new ATOM 0 HA ARG A 11 5.153 6.472 7.425 1.00 0.62 H new ATOM 0 HB2 ARG A 11 7.418 4.667 6.649 1.00 0.82 H new ATOM 0 HB3 ARG A 11 7.810 6.260 7.265 1.00 0.82 H new ATOM 0 HG2 ARG A 11 5.861 4.463 8.742 1.00 1.49 H new ATOM 0 HG3 ARG A 11 7.590 4.278 8.956 1.00 1.49 H new ATOM 0 HD2 ARG A 11 7.837 6.481 9.869 1.00 2.62 H new ATOM 0 HD3 ARG A 11 6.285 7.009 9.251 1.00 2.62 H new ATOM 0 HE ARG A 11 5.253 6.155 11.131 1.00 3.82 H new ATOM 0 HH11 ARG A 11 8.496 4.735 10.941 1.00 4.64 H new ATOM 0 HH12 ARG A 11 8.314 3.861 12.466 1.00 4.64 H new ATOM 0 HH21 ARG A 11 4.974 5.000 12.992 1.00 6.23 H new ATOM 0 HH22 ARG A 11 6.285 4.014 13.647 1.00 6.23 H new ATOM 171 N GLY A 12 6.578 8.285 6.083 1.00 1.05 N ATOM 172 CA GLY A 12 6.842 9.448 5.246 1.00 1.21 C ATOM 173 C GLY A 12 5.554 10.207 4.919 1.00 1.26 C ATOM 174 O GLY A 12 5.508 11.430 5.032 1.00 1.55 O ATOM 0 H GLY A 12 6.830 8.419 7.062 1.00 1.05 H new ATOM 0 HA2 GLY A 12 7.539 10.114 5.755 1.00 1.21 H new ATOM 0 HA3 GLY A 12 7.323 9.130 4.321 1.00 1.21 H new ATOM 178 N MET A 13 4.504 9.492 4.513 1.00 1.35 N ATOM 179 CA MET A 13 3.248 10.086 4.115 1.00 1.51 C ATOM 180 C MET A 13 2.541 10.611 5.365 1.00 1.21 C ATOM 181 O MET A 13 2.590 9.962 6.410 1.00 2.04 O ATOM 182 CB MET A 13 2.471 9.037 3.314 1.00 2.19 C ATOM 183 CG MET A 13 1.607 8.097 4.144 1.00 1.08 C ATOM 184 SD MET A 13 -0.022 8.745 4.575 1.00 2.45 S ATOM 185 CE MET A 13 -0.605 7.271 5.408 1.00 1.66 C ATOM 0 H MET A 13 4.512 8.474 4.454 1.00 1.35 H new ATOM 0 HA MET A 13 3.364 10.950 3.461 1.00 1.51 H new ATOM 0 HB2 MET A 13 1.833 9.551 2.595 1.00 2.19 H new ATOM 0 HB3 MET A 13 3.181 8.441 2.741 1.00 2.19 H new ATOM 0 HG2 MET A 13 1.477 7.165 3.594 1.00 1.08 H new ATOM 0 HG3 MET A 13 2.140 7.853 5.063 1.00 1.08 H new ATOM 0 HE1 MET A 13 -1.632 7.423 5.740 1.00 1.66 H new ATOM 0 HE2 MET A 13 -0.567 6.426 4.721 1.00 1.66 H new ATOM 0 HE3 MET A 13 0.029 7.066 6.271 1.00 1.66 H new ATOM 195 N THR A 14 1.965 11.814 5.285 1.00 0.73 N ATOM 196 CA THR A 14 1.733 12.613 6.486 1.00 0.89 C ATOM 197 C THR A 14 0.412 13.396 6.521 1.00 0.74 C ATOM 198 O THR A 14 0.239 14.182 7.453 1.00 0.95 O ATOM 199 CB THR A 14 2.961 13.517 6.713 1.00 1.17 C ATOM 200 OG1 THR A 14 2.884 14.176 7.961 1.00 1.93 O ATOM 201 CG2 THR A 14 3.139 14.559 5.602 1.00 1.06 C ATOM 0 H THR A 14 1.656 12.248 4.415 1.00 0.73 H new ATOM 0 HA THR A 14 1.612 11.915 7.314 1.00 0.89 H new ATOM 0 HB THR A 14 3.828 12.857 6.700 1.00 1.17 H new ATOM 0 HG1 THR A 14 1.946 14.366 8.173 1.00 1.93 H new ATOM 0 HG21 THR A 14 4.018 15.168 5.812 1.00 1.06 H new ATOM 0 HG22 THR A 14 3.269 14.053 4.646 1.00 1.06 H new ATOM 0 HG23 THR A 14 2.257 15.198 5.558 1.00 1.06 H new ATOM 209 N CYS A 15 -0.531 13.208 5.587 1.00 0.64 N ATOM 210 CA CYS A 15 -1.834 13.865 5.695 1.00 0.56 C ATOM 211 C CYS A 15 -2.898 13.156 4.857 1.00 0.52 C ATOM 212 O CYS A 15 -2.596 12.251 4.075 1.00 0.58 O ATOM 213 CB CYS A 15 -1.720 15.350 5.317 1.00 0.59 C ATOM 214 SG CYS A 15 -1.444 15.676 3.560 1.00 0.70 S ATOM 0 H CYS A 15 -0.417 12.617 4.764 1.00 0.64 H new ATOM 0 HA CYS A 15 -2.156 13.801 6.734 1.00 0.56 H new ATOM 0 HB2 CYS A 15 -2.633 15.859 5.626 1.00 0.59 H new ATOM 0 HB3 CYS A 15 -0.902 15.792 5.885 1.00 0.59 H new ATOM 219 N ALA A 16 -4.150 13.599 5.003 1.00 0.49 N ATOM 220 CA ALA A 16 -5.285 13.118 4.226 1.00 0.53 C ATOM 221 C ALA A 16 -4.980 13.149 2.726 1.00 0.53 C ATOM 222 O ALA A 16 -5.296 12.208 1.995 1.00 0.59 O ATOM 223 CB ALA A 16 -6.518 13.968 4.544 1.00 0.59 C ATOM 0 H ALA A 16 -4.403 14.318 5.681 1.00 0.49 H new ATOM 0 HA ALA A 16 -5.483 12.082 4.499 1.00 0.53 H new ATOM 0 HB1 ALA A 16 -7.367 13.609 3.963 1.00 0.59 H new ATOM 0 HB2 ALA A 16 -6.748 13.893 5.607 1.00 0.59 H new ATOM 0 HB3 ALA A 16 -6.318 15.009 4.289 1.00 0.59 H new ATOM 229 N SER A 17 -4.349 14.237 2.274 1.00 0.51 N ATOM 230 CA SER A 17 -3.961 14.427 0.889 1.00 0.56 C ATOM 231 C SER A 17 -2.889 13.426 0.443 1.00 0.54 C ATOM 232 O SER A 17 -2.714 13.217 -0.761 1.00 0.75 O ATOM 233 CB SER A 17 -3.520 15.877 0.671 1.00 0.77 C ATOM 234 OG SER A 17 -4.443 16.745 1.302 1.00 1.70 O ATOM 0 H SER A 17 -4.093 15.019 2.877 1.00 0.51 H new ATOM 0 HA SER A 17 -4.829 14.230 0.260 1.00 0.56 H new ATOM 0 HB2 SER A 17 -2.521 16.031 1.079 1.00 0.77 H new ATOM 0 HB3 SER A 17 -3.466 16.097 -0.395 1.00 0.77 H new ATOM 0 HG SER A 17 -4.163 17.674 1.166 1.00 1.70 H new ATOM 240 N CYS A 18 -2.138 12.821 1.372 1.00 0.50 N ATOM 241 CA CYS A 18 -1.452 11.570 1.098 1.00 0.57 C ATOM 242 C CYS A 18 -2.431 10.403 1.050 1.00 0.64 C ATOM 243 O CYS A 18 -2.544 9.759 0.010 1.00 0.82 O ATOM 244 CB CYS A 18 -0.295 11.327 2.057 1.00 0.63 C ATOM 245 SG CYS A 18 0.977 12.615 2.014 1.00 0.72 S ATOM 0 H CYS A 18 -1.996 13.183 2.315 1.00 0.50 H new ATOM 0 HA CYS A 18 -1.006 11.651 0.107 1.00 0.57 H new ATOM 0 HB2 CYS A 18 -0.687 11.251 3.071 1.00 0.63 H new ATOM 0 HB3 CYS A 18 0.165 10.368 1.820 1.00 0.63 H new ATOM 250 N VAL A 19 -3.112 10.130 2.167 1.00 0.57 N ATOM 251 CA VAL A 19 -3.983 8.964 2.347 1.00 0.63 C ATOM 252 C VAL A 19 -4.789 8.665 1.078 1.00 0.63 C ATOM 253 O VAL A 19 -4.618 7.614 0.455 1.00 0.64 O ATOM 254 CB VAL A 19 -4.899 9.178 3.572 1.00 0.70 C ATOM 255 CG1 VAL A 19 -6.044 8.162 3.692 1.00 0.91 C ATOM 256 CG2 VAL A 19 -4.084 9.133 4.869 1.00 0.78 C ATOM 0 H VAL A 19 -3.072 10.729 2.992 1.00 0.57 H new ATOM 0 HA VAL A 19 -3.361 8.089 2.534 1.00 0.63 H new ATOM 0 HB VAL A 19 -5.348 10.159 3.417 1.00 0.70 H new ATOM 0 HG11 VAL A 19 -6.637 8.385 4.579 1.00 0.91 H new ATOM 0 HG12 VAL A 19 -6.678 8.222 2.807 1.00 0.91 H new ATOM 0 HG13 VAL A 19 -5.631 7.157 3.776 1.00 0.91 H new ATOM 0 HG21 VAL A 19 -4.747 9.286 5.721 1.00 0.78 H new ATOM 0 HG22 VAL A 19 -3.596 8.163 4.959 1.00 0.78 H new ATOM 0 HG23 VAL A 19 -3.329 9.919 4.852 1.00 0.78 H new ATOM 266 N HIS A 20 -5.658 9.598 0.677 1.00 0.64 N ATOM 267 CA HIS A 20 -6.561 9.336 -0.436 1.00 0.71 C ATOM 268 C HIS A 20 -5.797 9.170 -1.755 1.00 0.71 C ATOM 269 O HIS A 20 -6.241 8.451 -2.647 1.00 0.77 O ATOM 270 CB HIS A 20 -7.674 10.395 -0.512 1.00 0.73 C ATOM 271 CG HIS A 20 -7.322 11.701 -1.184 1.00 0.63 C ATOM 272 ND1 HIS A 20 -6.138 12.385 -1.105 1.00 0.74 N flip ATOM 273 CD2 HIS A 20 -8.158 12.427 -2.003 1.00 0.63 C flip ATOM 274 CE1 HIS A 20 -6.245 13.533 -1.895 1.00 0.70 C flip ATOM 275 NE2 HIS A 20 -7.484 13.517 -2.411 1.00 0.72 N flip ATOM 0 H HIS A 20 -5.751 10.522 1.099 1.00 0.64 H new ATOM 0 HA HIS A 20 -7.056 8.382 -0.253 1.00 0.71 H new ATOM 0 HB2 HIS A 20 -8.523 9.959 -1.039 1.00 0.73 H new ATOM 0 HB3 HIS A 20 -8.006 10.613 0.503 1.00 0.73 H new ATOM 0 HD2 HIS A 20 -9.172 12.168 -2.270 1.00 0.63 H new ATOM 0 HE1 HIS A 20 -5.484 14.282 -2.058 1.00 0.70 H new ATOM 0 HE2 HIS A 20 -7.863 14.234 -3.029 1.00 0.72 H new ATOM 283 N LYS A 21 -4.648 9.839 -1.888 1.00 0.69 N ATOM 284 CA LYS A 21 -3.832 9.806 -3.087 1.00 0.75 C ATOM 285 C LYS A 21 -3.192 8.429 -3.213 1.00 0.64 C ATOM 286 O LYS A 21 -3.193 7.849 -4.296 1.00 0.64 O ATOM 287 CB LYS A 21 -2.804 10.943 -3.022 1.00 0.86 C ATOM 288 CG LYS A 21 -1.857 10.980 -4.228 1.00 0.96 C ATOM 289 CD LYS A 21 -1.254 12.377 -4.455 1.00 1.63 C ATOM 290 CE LYS A 21 -0.112 12.799 -3.517 1.00 1.90 C ATOM 291 NZ LYS A 21 -0.479 12.753 -2.089 1.00 3.36 N ATOM 0 H LYS A 21 -4.260 10.426 -1.149 1.00 0.69 H new ATOM 0 HA LYS A 21 -4.433 9.965 -3.982 1.00 0.75 H new ATOM 0 HB2 LYS A 21 -3.331 11.895 -2.954 1.00 0.86 H new ATOM 0 HB3 LYS A 21 -2.215 10.838 -2.111 1.00 0.86 H new ATOM 0 HG2 LYS A 21 -1.053 10.260 -4.078 1.00 0.96 H new ATOM 0 HG3 LYS A 21 -2.399 10.671 -5.122 1.00 0.96 H new ATOM 0 HD2 LYS A 21 -0.887 12.426 -5.480 1.00 1.63 H new ATOM 0 HD3 LYS A 21 -2.055 13.111 -4.367 1.00 1.63 H new ATOM 0 HE2 LYS A 21 0.746 12.148 -3.685 1.00 1.90 H new ATOM 0 HE3 LYS A 21 0.202 13.811 -3.771 1.00 1.90 H new ATOM 0 HZ1 LYS A 21 0.098 13.438 -1.560 1.00 3.36 H new ATOM 0 HZ2 LYS A 21 -1.485 12.992 -1.981 1.00 3.36 H new ATOM 0 HZ3 LYS A 21 -0.308 11.797 -1.717 1.00 3.36 H new ATOM 305 N ILE A 22 -2.657 7.904 -2.108 1.00 0.58 N ATOM 306 CA ILE A 22 -2.108 6.558 -2.074 1.00 0.51 C ATOM 307 C ILE A 22 -3.186 5.586 -2.547 1.00 0.47 C ATOM 308 O ILE A 22 -2.984 4.906 -3.550 1.00 0.47 O ATOM 309 CB ILE A 22 -1.563 6.214 -0.675 1.00 0.54 C ATOM 310 CG1 ILE A 22 -0.360 7.115 -0.358 1.00 0.63 C ATOM 311 CG2 ILE A 22 -1.126 4.742 -0.616 1.00 0.59 C ATOM 312 CD1 ILE A 22 -0.020 7.150 1.132 1.00 0.95 C ATOM 0 H ILE A 22 -2.595 8.401 -1.220 1.00 0.58 H new ATOM 0 HA ILE A 22 -1.254 6.481 -2.747 1.00 0.51 H new ATOM 0 HB ILE A 22 -2.352 6.378 0.059 1.00 0.54 H new ATOM 0 HG12 ILE A 22 0.508 6.763 -0.916 1.00 0.63 H new ATOM 0 HG13 ILE A 22 -0.570 8.128 -0.702 1.00 0.63 H new ATOM 0 HG21 ILE A 22 -0.743 4.516 0.379 1.00 0.59 H new ATOM 0 HG22 ILE A 22 -1.980 4.100 -0.831 1.00 0.59 H new ATOM 0 HG23 ILE A 22 -0.344 4.565 -1.354 1.00 0.59 H new ATOM 0 HD11 ILE A 22 0.838 7.803 1.294 1.00 0.95 H new ATOM 0 HD12 ILE A 22 -0.875 7.529 1.692 1.00 0.95 H new ATOM 0 HD13 ILE A 22 0.220 6.143 1.474 1.00 0.95 H new ATOM 324 N GLU A 23 -4.334 5.542 -1.864 1.00 0.50 N ATOM 325 CA GLU A 23 -5.399 4.615 -2.225 1.00 0.52 C ATOM 326 C GLU A 23 -5.812 4.796 -3.689 1.00 0.49 C ATOM 327 O GLU A 23 -5.780 3.838 -4.457 1.00 0.54 O ATOM 328 CB GLU A 23 -6.587 4.755 -1.265 1.00 0.67 C ATOM 329 CG GLU A 23 -6.156 4.401 0.164 1.00 1.59 C ATOM 330 CD GLU A 23 -7.322 4.354 1.144 1.00 2.45 C ATOM 331 OE1 GLU A 23 -8.385 4.913 0.805 1.00 2.71 O ATOM 332 OE2 GLU A 23 -7.114 3.757 2.225 1.00 3.87 O ATOM 0 H GLU A 23 -4.545 6.137 -1.062 1.00 0.50 H new ATOM 0 HA GLU A 23 -5.022 3.597 -2.126 1.00 0.52 H new ATOM 0 HB2 GLU A 23 -6.970 5.775 -1.295 1.00 0.67 H new ATOM 0 HB3 GLU A 23 -7.399 4.100 -1.581 1.00 0.67 H new ATOM 0 HG2 GLU A 23 -5.655 3.433 0.157 1.00 1.59 H new ATOM 0 HG3 GLU A 23 -5.427 5.134 0.510 1.00 1.59 H new ATOM 339 N SER A 24 -6.157 6.026 -4.080 1.00 0.49 N ATOM 340 CA SER A 24 -6.575 6.364 -5.437 1.00 0.51 C ATOM 341 C SER A 24 -5.531 5.946 -6.480 1.00 0.53 C ATOM 342 O SER A 24 -5.875 5.526 -7.584 1.00 0.65 O ATOM 343 CB SER A 24 -6.872 7.869 -5.510 1.00 0.57 C ATOM 344 OG SER A 24 -7.410 8.228 -6.767 1.00 0.79 O ATOM 0 H SER A 24 -6.152 6.827 -3.448 1.00 0.49 H new ATOM 0 HA SER A 24 -7.481 5.807 -5.674 1.00 0.51 H new ATOM 0 HB2 SER A 24 -7.573 8.142 -4.721 1.00 0.57 H new ATOM 0 HB3 SER A 24 -5.956 8.431 -5.331 1.00 0.57 H new ATOM 0 HG SER A 24 -7.590 9.191 -6.783 1.00 0.79 H new ATOM 350 N SER A 25 -4.240 6.062 -6.152 1.00 0.50 N ATOM 351 CA SER A 25 -3.185 5.644 -7.056 1.00 0.54 C ATOM 352 C SER A 25 -3.205 4.119 -7.137 1.00 0.62 C ATOM 353 O SER A 25 -3.323 3.534 -8.210 1.00 0.84 O ATOM 354 CB SER A 25 -1.833 6.185 -6.573 1.00 0.57 C ATOM 355 OG SER A 25 -0.833 5.926 -7.539 1.00 1.20 O ATOM 0 H SER A 25 -3.909 6.443 -5.265 1.00 0.50 H new ATOM 0 HA SER A 25 -3.344 6.048 -8.056 1.00 0.54 H new ATOM 0 HB2 SER A 25 -1.905 7.257 -6.392 1.00 0.57 H new ATOM 0 HB3 SER A 25 -1.564 5.719 -5.625 1.00 0.57 H new ATOM 0 HG SER A 25 0.026 6.276 -7.223 1.00 1.20 H new ATOM 361 N LEU A 26 -3.121 3.468 -5.980 1.00 0.55 N ATOM 362 CA LEU A 26 -3.019 2.027 -5.888 1.00 0.62 C ATOM 363 C LEU A 26 -4.192 1.320 -6.571 1.00 0.62 C ATOM 364 O LEU A 26 -3.981 0.356 -7.303 1.00 0.69 O ATOM 365 CB LEU A 26 -2.857 1.622 -4.421 1.00 0.71 C ATOM 366 CG LEU A 26 -1.382 1.415 -4.038 1.00 0.73 C ATOM 367 CD1 LEU A 26 -0.502 2.650 -4.269 1.00 2.48 C ATOM 368 CD2 LEU A 26 -1.320 1.030 -2.560 1.00 1.87 C ATOM 0 H LEU A 26 -3.122 3.937 -5.074 1.00 0.55 H new ATOM 0 HA LEU A 26 -2.133 1.701 -6.432 1.00 0.62 H new ATOM 0 HB2 LEU A 26 -3.292 2.391 -3.783 1.00 0.71 H new ATOM 0 HB3 LEU A 26 -3.412 0.702 -4.236 1.00 0.71 H new ATOM 0 HG LEU A 26 -0.989 0.631 -4.685 1.00 0.73 H new ATOM 0 HD11 LEU A 26 0.524 2.426 -3.976 1.00 2.48 H new ATOM 0 HD12 LEU A 26 -0.526 2.922 -5.324 1.00 2.48 H new ATOM 0 HD13 LEU A 26 -0.877 3.481 -3.671 1.00 2.48 H new ATOM 0 HD21 LEU A 26 -0.281 0.878 -2.267 1.00 1.87 H new ATOM 0 HD22 LEU A 26 -1.754 1.828 -1.958 1.00 1.87 H new ATOM 0 HD23 LEU A 26 -1.880 0.109 -2.400 1.00 1.87 H new ATOM 380 N THR A 27 -5.426 1.798 -6.393 1.00 0.60 N ATOM 381 CA THR A 27 -6.589 1.193 -7.033 1.00 0.63 C ATOM 382 C THR A 27 -6.504 1.203 -8.566 1.00 0.65 C ATOM 383 O THR A 27 -7.273 0.500 -9.219 1.00 1.05 O ATOM 384 CB THR A 27 -7.874 1.861 -6.527 1.00 0.75 C ATOM 385 OG1 THR A 27 -7.738 3.262 -6.617 1.00 1.90 O ATOM 386 CG2 THR A 27 -8.154 1.472 -5.071 1.00 1.53 C ATOM 0 H THR A 27 -5.642 2.605 -5.808 1.00 0.60 H new ATOM 0 HA THR A 27 -6.607 0.140 -6.751 1.00 0.63 H new ATOM 0 HB THR A 27 -8.707 1.524 -7.144 1.00 0.75 H new ATOM 0 HG1 THR A 27 -7.220 3.590 -5.852 1.00 1.90 H new ATOM 0 HG21 THR A 27 -9.070 1.958 -4.734 1.00 1.53 H new ATOM 0 HG22 THR A 27 -8.269 0.390 -4.999 1.00 1.53 H new ATOM 0 HG23 THR A 27 -7.322 1.791 -4.443 1.00 1.53 H new ATOM 394 N LYS A 28 -5.566 1.950 -9.161 1.00 0.65 N ATOM 395 CA LYS A 28 -5.318 1.877 -10.592 1.00 0.68 C ATOM 396 C LYS A 28 -4.800 0.485 -10.979 1.00 0.73 C ATOM 397 O LYS A 28 -5.068 0.018 -12.085 1.00 0.92 O ATOM 398 CB LYS A 28 -4.331 2.971 -11.026 1.00 0.87 C ATOM 399 CG LYS A 28 -4.796 4.387 -10.625 1.00 1.88 C ATOM 400 CD LYS A 28 -5.414 5.182 -11.784 1.00 2.91 C ATOM 401 CE LYS A 28 -4.365 5.995 -12.559 1.00 3.66 C ATOM 402 NZ LYS A 28 -3.247 5.163 -13.047 1.00 4.09 N ATOM 0 H LYS A 28 -4.969 2.612 -8.665 1.00 0.65 H new ATOM 0 HA LYS A 28 -6.260 2.045 -11.115 1.00 0.68 H new ATOM 0 HB2 LYS A 28 -3.357 2.773 -10.579 1.00 0.87 H new ATOM 0 HB3 LYS A 28 -4.201 2.929 -12.107 1.00 0.87 H new ATOM 0 HG2 LYS A 28 -5.527 4.306 -9.820 1.00 1.88 H new ATOM 0 HG3 LYS A 28 -3.945 4.941 -10.228 1.00 1.88 H new ATOM 0 HD2 LYS A 28 -5.915 4.495 -12.466 1.00 2.91 H new ATOM 0 HD3 LYS A 28 -6.177 5.856 -11.393 1.00 2.91 H new ATOM 0 HE2 LYS A 28 -4.844 6.485 -13.406 1.00 3.66 H new ATOM 0 HE3 LYS A 28 -3.973 6.782 -11.915 1.00 3.66 H new ATOM 0 HZ1 LYS A 28 -2.622 5.738 -13.647 1.00 4.09 H new ATOM 0 HZ2 LYS A 28 -2.708 4.797 -12.237 1.00 4.09 H new ATOM 0 HZ3 LYS A 28 -3.623 4.367 -13.601 1.00 4.09 H new ATOM 416 N HIS A 29 -4.044 -0.180 -10.096 1.00 0.71 N ATOM 417 CA HIS A 29 -3.538 -1.513 -10.378 1.00 0.90 C ATOM 418 C HIS A 29 -4.658 -2.532 -10.165 1.00 1.13 C ATOM 419 O HIS A 29 -4.961 -2.873 -9.029 1.00 1.93 O ATOM 420 CB HIS A 29 -2.355 -1.881 -9.466 1.00 0.94 C ATOM 421 CG HIS A 29 -1.317 -0.819 -9.213 1.00 0.99 C ATOM 422 ND1 HIS A 29 -0.292 -0.439 -10.051 1.00 1.42 N ATOM 423 CD2 HIS A 29 -1.077 -0.247 -7.994 1.00 1.46 C ATOM 424 CE1 HIS A 29 0.518 0.380 -9.350 1.00 1.46 C ATOM 425 NE2 HIS A 29 0.068 0.539 -8.096 1.00 1.47 N ATOM 0 H HIS A 29 -3.774 0.189 -9.184 1.00 0.71 H new ATOM 0 HA HIS A 29 -3.190 -1.526 -11.411 1.00 0.90 H new ATOM 0 HB2 HIS A 29 -2.757 -2.195 -8.503 1.00 0.94 H new ATOM 0 HB3 HIS A 29 -1.853 -2.746 -9.899 1.00 0.94 H new ATOM 0 HD1 HIS A 29 -0.168 -0.724 -11.022 1.00 1.42 H new ATOM 0 HD2 HIS A 29 -1.674 -0.382 -7.104 1.00 1.46 H new ATOM 0 HE1 HIS A 29 1.409 0.845 -9.745 1.00 1.46 H new ATOM 433 N ARG A 30 -5.227 -3.106 -11.227 1.00 0.99 N ATOM 434 CA ARG A 30 -6.160 -4.221 -11.056 1.00 1.15 C ATOM 435 C ARG A 30 -5.535 -5.403 -10.307 1.00 1.08 C ATOM 436 O ARG A 30 -6.257 -6.237 -9.768 1.00 1.90 O ATOM 437 CB ARG A 30 -6.689 -4.694 -12.416 1.00 1.52 C ATOM 438 CG ARG A 30 -7.715 -3.722 -13.004 1.00 2.09 C ATOM 439 CD ARG A 30 -8.226 -4.269 -14.345 1.00 2.77 C ATOM 440 NE ARG A 30 -9.542 -3.714 -14.705 1.00 3.80 N ATOM 441 CZ ARG A 30 -10.715 -4.137 -14.200 1.00 4.90 C ATOM 442 NH1 ARG A 30 -10.728 -5.068 -13.239 1.00 5.42 N ATOM 443 NH2 ARG A 30 -11.865 -3.631 -14.658 1.00 6.07 N ATOM 0 H ARG A 30 -5.063 -2.825 -12.194 1.00 0.99 H new ATOM 0 HA ARG A 30 -6.985 -3.847 -10.450 1.00 1.15 H new ATOM 0 HB2 ARG A 30 -5.856 -4.805 -13.110 1.00 1.52 H new ATOM 0 HB3 ARG A 30 -7.144 -5.678 -12.305 1.00 1.52 H new ATOM 0 HG2 ARG A 30 -8.547 -3.591 -12.312 1.00 2.09 H new ATOM 0 HG3 ARG A 30 -7.262 -2.741 -13.148 1.00 2.09 H new ATOM 0 HD2 ARG A 30 -7.507 -4.034 -15.130 1.00 2.77 H new ATOM 0 HD3 ARG A 30 -8.294 -5.356 -14.290 1.00 2.77 H new ATOM 0 HE ARG A 30 -9.566 -2.955 -15.386 1.00 3.80 H new ATOM 0 HH11 ARG A 30 -9.850 -5.455 -12.892 1.00 5.42 H new ATOM 0 HH12 ARG A 30 -11.616 -5.391 -12.854 1.00 5.42 H new ATOM 0 HH21 ARG A 30 -11.854 -2.923 -15.392 1.00 6.07 H new ATOM 0 HH22 ARG A 30 -12.753 -3.953 -14.273 1.00 6.07 H new ATOM 457 N GLY A 31 -4.202 -5.491 -10.282 1.00 0.71 N ATOM 458 CA GLY A 31 -3.507 -6.474 -9.474 1.00 0.73 C ATOM 459 C GLY A 31 -3.827 -6.334 -7.988 1.00 0.68 C ATOM 460 O GLY A 31 -3.851 -7.345 -7.287 1.00 0.93 O ATOM 0 H GLY A 31 -3.585 -4.883 -10.821 1.00 0.71 H new ATOM 0 HA2 GLY A 31 -3.780 -7.475 -9.809 1.00 0.73 H new ATOM 0 HA3 GLY A 31 -2.432 -6.369 -9.623 1.00 0.73 H new ATOM 464 N ILE A 32 -4.076 -5.112 -7.496 1.00 0.76 N ATOM 465 CA ILE A 32 -4.582 -4.942 -6.147 1.00 0.74 C ATOM 466 C ILE A 32 -6.106 -4.989 -6.203 1.00 0.70 C ATOM 467 O ILE A 32 -6.718 -4.430 -7.111 1.00 0.96 O ATOM 468 CB ILE A 32 -3.985 -3.721 -5.420 1.00 1.06 C ATOM 469 CG1 ILE A 32 -4.559 -2.326 -5.708 1.00 1.55 C ATOM 470 CG2 ILE A 32 -2.461 -3.688 -5.579 1.00 1.73 C ATOM 471 CD1 ILE A 32 -5.907 -2.076 -5.025 1.00 2.43 C ATOM 0 H ILE A 32 -3.934 -4.244 -8.012 1.00 0.76 H new ATOM 0 HA ILE A 32 -4.247 -5.764 -5.515 1.00 0.74 H new ATOM 0 HB ILE A 32 -4.299 -3.906 -4.393 1.00 1.06 H new ATOM 0 HG12 ILE A 32 -3.846 -1.571 -5.377 1.00 1.55 H new ATOM 0 HG13 ILE A 32 -4.676 -2.203 -6.785 1.00 1.55 H new ATOM 0 HG21 ILE A 32 -2.060 -2.818 -5.058 1.00 1.73 H new ATOM 0 HG22 ILE A 32 -2.031 -4.595 -5.155 1.00 1.73 H new ATOM 0 HG23 ILE A 32 -2.207 -3.627 -6.637 1.00 1.73 H new ATOM 0 HD11 ILE A 32 -6.258 -1.073 -5.268 1.00 2.43 H new ATOM 0 HD12 ILE A 32 -6.634 -2.809 -5.375 1.00 2.43 H new ATOM 0 HD13 ILE A 32 -5.790 -2.167 -3.945 1.00 2.43 H new ATOM 483 N LEU A 33 -6.718 -5.689 -5.250 1.00 0.56 N ATOM 484 CA LEU A 33 -8.162 -5.786 -5.127 1.00 0.58 C ATOM 485 C LEU A 33 -8.657 -4.752 -4.122 1.00 0.59 C ATOM 486 O LEU A 33 -9.728 -4.180 -4.312 1.00 0.71 O ATOM 487 CB LEU A 33 -8.573 -7.201 -4.709 1.00 0.66 C ATOM 488 CG LEU A 33 -8.019 -8.299 -5.632 1.00 0.92 C ATOM 489 CD1 LEU A 33 -8.673 -9.624 -5.240 1.00 1.68 C ATOM 490 CD2 LEU A 33 -8.288 -8.036 -7.119 1.00 1.64 C ATOM 0 H LEU A 33 -6.213 -6.211 -4.534 1.00 0.56 H new ATOM 0 HA LEU A 33 -8.620 -5.582 -6.095 1.00 0.58 H new ATOM 0 HB2 LEU A 33 -8.229 -7.385 -3.691 1.00 0.66 H new ATOM 0 HB3 LEU A 33 -9.661 -7.265 -4.694 1.00 0.66 H new ATOM 0 HG LEU A 33 -6.937 -8.320 -5.505 1.00 0.92 H new ATOM 0 HD11 LEU A 33 -8.295 -10.420 -5.882 1.00 1.68 H new ATOM 0 HD12 LEU A 33 -8.437 -9.853 -4.201 1.00 1.68 H new ATOM 0 HD13 LEU A 33 -9.754 -9.545 -5.358 1.00 1.68 H new ATOM 0 HD21 LEU A 33 -7.871 -8.849 -7.714 1.00 1.64 H new ATOM 0 HD22 LEU A 33 -9.363 -7.977 -7.289 1.00 1.64 H new ATOM 0 HD23 LEU A 33 -7.822 -7.095 -7.412 1.00 1.64 H new ATOM 502 N TYR A 34 -7.890 -4.503 -3.055 1.00 0.55 N ATOM 503 CA TYR A 34 -8.213 -3.445 -2.111 1.00 0.60 C ATOM 504 C TYR A 34 -6.944 -2.884 -1.485 1.00 0.61 C ATOM 505 O TYR A 34 -5.942 -3.593 -1.386 1.00 0.60 O ATOM 506 CB TYR A 34 -9.159 -3.972 -1.024 1.00 0.60 C ATOM 507 CG TYR A 34 -9.742 -2.911 -0.111 1.00 0.63 C ATOM 508 CD1 TYR A 34 -10.339 -1.753 -0.646 1.00 1.65 C ATOM 509 CD2 TYR A 34 -9.658 -3.068 1.286 1.00 1.74 C ATOM 510 CE1 TYR A 34 -10.707 -0.696 0.202 1.00 1.78 C ATOM 511 CE2 TYR A 34 -10.109 -2.045 2.134 1.00 1.75 C ATOM 512 CZ TYR A 34 -10.561 -0.831 1.592 1.00 0.97 C ATOM 513 OH TYR A 34 -10.839 0.213 2.422 1.00 1.26 O ATOM 0 H TYR A 34 -7.042 -5.024 -2.830 1.00 0.55 H new ATOM 0 HA TYR A 34 -8.716 -2.641 -2.649 1.00 0.60 H new ATOM 0 HB2 TYR A 34 -9.979 -4.506 -1.505 1.00 0.60 H new ATOM 0 HB3 TYR A 34 -8.620 -4.697 -0.415 1.00 0.60 H new ATOM 0 HD1 TYR A 34 -10.514 -1.678 -1.709 1.00 1.65 H new ATOM 0 HD2 TYR A 34 -9.247 -3.975 1.704 1.00 1.74 H new ATOM 0 HE1 TYR A 34 -11.102 0.219 -0.214 1.00 1.78 H new ATOM 0 HE2 TYR A 34 -10.108 -2.191 3.204 1.00 1.75 H new ATOM 0 HH TYR A 34 -10.906 -0.111 3.344 1.00 1.26 H new ATOM 523 N CYS A 35 -7.021 -1.622 -1.058 1.00 0.66 N ATOM 524 CA CYS A 35 -6.023 -0.914 -0.279 1.00 0.67 C ATOM 525 C CYS A 35 -6.777 -0.133 0.796 1.00 0.65 C ATOM 526 O CYS A 35 -7.766 0.522 0.476 1.00 0.98 O ATOM 527 CB CYS A 35 -5.240 0.045 -1.176 1.00 0.78 C ATOM 528 SG CYS A 35 -4.080 0.951 -0.129 1.00 2.56 S ATOM 0 H CYS A 35 -7.833 -1.039 -1.263 1.00 0.66 H new ATOM 0 HA CYS A 35 -5.310 -1.607 0.168 1.00 0.67 H new ATOM 0 HB2 CYS A 35 -4.706 -0.505 -1.951 1.00 0.78 H new ATOM 0 HB3 CYS A 35 -5.916 0.734 -1.682 1.00 0.78 H new ATOM 0 HG CYS A 35 -3.705 2.038 -0.736 1.00 2.56 H new ATOM 534 N SER A 36 -6.352 -0.248 2.054 1.00 0.55 N ATOM 535 CA SER A 36 -6.797 0.590 3.157 1.00 0.60 C ATOM 536 C SER A 36 -5.539 1.126 3.829 1.00 0.55 C ATOM 537 O SER A 36 -4.832 0.343 4.476 1.00 0.73 O ATOM 538 CB SER A 36 -7.644 -0.232 4.138 1.00 0.83 C ATOM 539 OG SER A 36 -7.865 0.464 5.357 1.00 1.70 O ATOM 0 H SER A 36 -5.668 -0.949 2.338 1.00 0.55 H new ATOM 0 HA SER A 36 -7.423 1.411 2.809 1.00 0.60 H new ATOM 0 HB2 SER A 36 -8.602 -0.472 3.678 1.00 0.83 H new ATOM 0 HB3 SER A 36 -7.144 -1.178 4.345 1.00 0.83 H new ATOM 0 HG SER A 36 -8.535 -0.014 5.890 1.00 1.70 H new ATOM 545 N VAL A 37 -5.268 2.426 3.706 1.00 0.51 N ATOM 546 CA VAL A 37 -4.100 3.078 4.282 1.00 0.53 C ATOM 547 C VAL A 37 -4.501 3.955 5.474 1.00 0.60 C ATOM 548 O VAL A 37 -5.621 4.455 5.534 1.00 0.73 O ATOM 549 CB VAL A 37 -3.347 3.838 3.174 1.00 0.70 C ATOM 550 CG1 VAL A 37 -3.969 5.198 2.869 1.00 1.95 C ATOM 551 CG2 VAL A 37 -1.886 4.063 3.555 1.00 2.67 C ATOM 0 H VAL A 37 -5.871 3.067 3.190 1.00 0.51 H new ATOM 0 HA VAL A 37 -3.411 2.337 4.687 1.00 0.53 H new ATOM 0 HB VAL A 37 -3.417 3.209 2.286 1.00 0.70 H new ATOM 0 HG11 VAL A 37 -3.399 5.690 2.081 1.00 1.95 H new ATOM 0 HG12 VAL A 37 -4.999 5.061 2.540 1.00 1.95 H new ATOM 0 HG13 VAL A 37 -3.954 5.815 3.768 1.00 1.95 H new ATOM 0 HG21 VAL A 37 -1.380 4.602 2.754 1.00 2.67 H new ATOM 0 HG22 VAL A 37 -1.835 4.647 4.474 1.00 2.67 H new ATOM 0 HG23 VAL A 37 -1.398 3.101 3.710 1.00 2.67 H new ATOM 561 N ALA A 38 -3.596 4.132 6.443 1.00 0.62 N ATOM 562 CA ALA A 38 -3.807 5.039 7.561 1.00 0.75 C ATOM 563 C ALA A 38 -2.482 5.511 8.144 1.00 0.78 C ATOM 564 O ALA A 38 -1.704 4.710 8.659 1.00 0.79 O ATOM 565 CB ALA A 38 -4.596 4.360 8.676 1.00 0.78 C ATOM 0 H ALA A 38 -2.699 3.647 6.468 1.00 0.62 H new ATOM 0 HA ALA A 38 -4.366 5.891 7.173 1.00 0.75 H new ATOM 0 HB1 ALA A 38 -4.739 5.060 9.499 1.00 0.78 H new ATOM 0 HB2 ALA A 38 -5.567 4.045 8.295 1.00 0.78 H new ATOM 0 HB3 ALA A 38 -4.046 3.489 9.032 1.00 0.78 H new ATOM 571 N LEU A 39 -2.288 6.829 8.168 1.00 0.96 N ATOM 572 CA LEU A 39 -1.300 7.476 9.014 1.00 0.93 C ATOM 573 C LEU A 39 -1.680 7.304 10.484 1.00 0.70 C ATOM 574 O LEU A 39 -0.801 7.294 11.334 1.00 0.77 O ATOM 575 CB LEU A 39 -1.099 8.950 8.620 1.00 1.24 C ATOM 576 CG LEU A 39 -2.335 9.866 8.743 1.00 0.90 C ATOM 577 CD1 LEU A 39 -2.468 10.492 10.138 1.00 1.60 C ATOM 578 CD2 LEU A 39 -2.203 11.014 7.737 1.00 1.14 C ATOM 0 H LEU A 39 -2.821 7.480 7.592 1.00 0.96 H new ATOM 0 HA LEU A 39 -0.335 6.992 8.864 1.00 0.93 H new ATOM 0 HB2 LEU A 39 -0.303 9.364 9.239 1.00 1.24 H new ATOM 0 HB3 LEU A 39 -0.750 8.984 7.588 1.00 1.24 H new ATOM 0 HG LEU A 39 -3.213 9.248 8.554 1.00 0.90 H new ATOM 0 HD11 LEU A 39 -3.354 11.127 10.169 1.00 1.60 H new ATOM 0 HD12 LEU A 39 -2.561 9.702 10.884 1.00 1.60 H new ATOM 0 HD13 LEU A 39 -1.584 11.092 10.353 1.00 1.60 H new ATOM 0 HD21 LEU A 39 -3.072 11.668 7.815 1.00 1.14 H new ATOM 0 HD22 LEU A 39 -1.299 11.584 7.952 1.00 1.14 H new ATOM 0 HD23 LEU A 39 -2.144 10.608 6.727 1.00 1.14 H new ATOM 590 N ALA A 40 -2.973 7.134 10.789 1.00 0.77 N ATOM 591 CA ALA A 40 -3.434 6.983 12.165 1.00 0.88 C ATOM 592 C ALA A 40 -2.746 5.783 12.815 1.00 0.85 C ATOM 593 O ALA A 40 -2.191 5.889 13.905 1.00 1.11 O ATOM 594 CB ALA A 40 -4.958 6.845 12.200 1.00 1.17 C ATOM 0 H ALA A 40 -3.718 7.098 10.093 1.00 0.77 H new ATOM 0 HA ALA A 40 -3.169 7.873 12.736 1.00 0.88 H new ATOM 0 HB1 ALA A 40 -5.290 6.733 13.232 1.00 1.17 H new ATOM 0 HB2 ALA A 40 -5.414 7.735 11.767 1.00 1.17 H new ATOM 0 HB3 ALA A 40 -5.257 5.968 11.626 1.00 1.17 H new ATOM 600 N THR A 41 -2.760 4.645 12.120 1.00 0.73 N ATOM 601 CA THR A 41 -2.029 3.461 12.535 1.00 0.80 C ATOM 602 C THR A 41 -0.550 3.591 12.163 1.00 1.01 C ATOM 603 O THR A 41 0.309 3.085 12.878 1.00 1.70 O ATOM 604 CB THR A 41 -2.625 2.226 11.846 1.00 0.88 C ATOM 605 OG1 THR A 41 -3.929 2.497 11.364 1.00 1.99 O ATOM 606 CG2 THR A 41 -2.661 1.018 12.781 1.00 1.39 C ATOM 0 H THR A 41 -3.282 4.524 11.252 1.00 0.73 H new ATOM 0 HA THR A 41 -2.111 3.355 13.617 1.00 0.80 H new ATOM 0 HB THR A 41 -1.976 1.986 11.004 1.00 0.88 H new ATOM 0 HG1 THR A 41 -4.289 1.697 10.927 1.00 1.99 H new ATOM 0 HG21 THR A 41 -3.090 0.164 12.256 1.00 1.39 H new ATOM 0 HG22 THR A 41 -1.648 0.776 13.101 1.00 1.39 H new ATOM 0 HG23 THR A 41 -3.271 1.251 13.653 1.00 1.39 H new ATOM 614 N ASN A 42 -0.285 4.190 10.993 1.00 0.72 N ATOM 615 CA ASN A 42 0.888 3.940 10.161 1.00 0.95 C ATOM 616 C ASN A 42 0.740 2.535 9.606 1.00 1.14 C ATOM 617 O ASN A 42 1.440 1.621 10.030 1.00 1.79 O ATOM 618 CB ASN A 42 2.246 4.101 10.866 1.00 1.19 C ATOM 619 CG ASN A 42 2.594 5.504 11.332 1.00 1.09 C ATOM 620 OD1 ASN A 42 3.667 5.716 11.898 1.00 1.84 O ATOM 621 ND2 ASN A 42 1.735 6.483 11.089 1.00 1.24 N ATOM 0 H ASN A 42 -0.910 4.888 10.590 1.00 0.72 H new ATOM 0 HA ASN A 42 0.910 4.703 9.383 1.00 0.95 H new ATOM 0 HB2 ASN A 42 2.265 3.438 11.731 1.00 1.19 H new ATOM 0 HB3 ASN A 42 3.028 3.761 10.187 1.00 1.19 H new ATOM 0 HD21 ASN A 42 1.956 7.438 11.372 1.00 1.24 H new ATOM 0 HD22 ASN A 42 0.853 6.282 10.619 1.00 1.24 H new ATOM 628 N LYS A 43 -0.189 2.342 8.668 1.00 0.74 N ATOM 629 CA LYS A 43 -0.325 1.075 7.976 1.00 0.70 C ATOM 630 C LYS A 43 -0.817 1.301 6.558 1.00 0.62 C ATOM 631 O LYS A 43 -1.478 2.303 6.282 1.00 0.63 O ATOM 632 CB LYS A 43 -1.232 0.106 8.752 1.00 0.74 C ATOM 633 CG LYS A 43 -2.697 0.559 8.887 1.00 1.22 C ATOM 634 CD LYS A 43 -3.578 0.114 7.716 1.00 1.10 C ATOM 635 CE LYS A 43 -5.063 0.368 7.992 1.00 1.49 C ATOM 636 NZ LYS A 43 -5.880 -0.219 6.910 1.00 2.46 N ATOM 0 H LYS A 43 -0.857 3.055 8.375 1.00 0.74 H new ATOM 0 HA LYS A 43 0.657 0.605 7.919 1.00 0.70 H new ATOM 0 HB2 LYS A 43 -1.211 -0.865 8.256 1.00 0.74 H new ATOM 0 HB3 LYS A 43 -0.817 -0.037 9.750 1.00 0.74 H new ATOM 0 HG2 LYS A 43 -3.109 0.162 9.814 1.00 1.22 H new ATOM 0 HG3 LYS A 43 -2.729 1.646 8.964 1.00 1.22 H new ATOM 0 HD2 LYS A 43 -3.280 0.648 6.814 1.00 1.10 H new ATOM 0 HD3 LYS A 43 -3.420 -0.948 7.525 1.00 1.10 H new ATOM 0 HE2 LYS A 43 -5.344 -0.069 8.950 1.00 1.49 H new ATOM 0 HE3 LYS A 43 -5.251 1.439 8.062 1.00 1.49 H new ATOM 0 HZ1 LYS A 43 -6.633 0.447 6.643 1.00 2.46 H new ATOM 0 HZ2 LYS A 43 -5.277 -0.410 6.084 1.00 2.46 H new ATOM 0 HZ3 LYS A 43 -6.306 -1.108 7.240 1.00 2.46 H new ATOM 650 N ALA A 44 -0.557 0.320 5.701 1.00 0.67 N ATOM 651 CA ALA A 44 -1.363 0.002 4.540 1.00 0.63 C ATOM 652 C ALA A 44 -1.674 -1.479 4.654 1.00 0.75 C ATOM 653 O ALA A 44 -0.758 -2.263 4.905 1.00 1.14 O ATOM 654 CB ALA A 44 -0.624 0.348 3.245 1.00 0.64 C ATOM 0 H ALA A 44 0.251 -0.294 5.804 1.00 0.67 H new ATOM 0 HA ALA A 44 -2.282 0.586 4.506 1.00 0.63 H new ATOM 0 HB1 ALA A 44 -1.252 0.099 2.390 1.00 0.64 H new ATOM 0 HB2 ALA A 44 -0.396 1.414 3.230 1.00 0.64 H new ATOM 0 HB3 ALA A 44 0.304 -0.222 3.192 1.00 0.64 H new ATOM 660 N HIS A 45 -2.954 -1.842 4.527 1.00 0.62 N ATOM 661 CA HIS A 45 -3.375 -3.208 4.324 1.00 0.74 C ATOM 662 C HIS A 45 -3.808 -3.215 2.871 1.00 0.67 C ATOM 663 O HIS A 45 -4.729 -2.484 2.507 1.00 0.74 O ATOM 664 CB HIS A 45 -4.524 -3.563 5.277 1.00 0.86 C ATOM 665 CG HIS A 45 -5.079 -4.956 5.088 1.00 0.86 C ATOM 666 ND1 HIS A 45 -5.090 -5.963 6.027 1.00 1.01 N ATOM 667 CD2 HIS A 45 -5.730 -5.430 3.979 1.00 0.76 C ATOM 668 CE1 HIS A 45 -5.742 -7.010 5.494 1.00 1.00 C ATOM 669 NE2 HIS A 45 -6.155 -6.734 4.245 1.00 0.87 N ATOM 0 H HIS A 45 -3.727 -1.178 4.565 1.00 0.62 H new ATOM 0 HA HIS A 45 -2.601 -3.948 4.529 1.00 0.74 H new ATOM 0 HB2 HIS A 45 -4.174 -3.460 6.304 1.00 0.86 H new ATOM 0 HB3 HIS A 45 -5.330 -2.842 5.141 1.00 0.86 H new ATOM 0 HD1 HIS A 45 -4.678 -5.922 6.959 1.00 1.01 H new ATOM 0 HD2 HIS A 45 -5.887 -4.889 3.058 1.00 0.76 H new ATOM 0 HE1 HIS A 45 -5.912 -7.948 6.001 1.00 1.00 H new ATOM 677 N ILE A 46 -3.112 -3.993 2.055 1.00 0.67 N ATOM 678 CA ILE A 46 -3.426 -4.238 0.670 1.00 0.64 C ATOM 679 C ILE A 46 -3.937 -5.668 0.637 1.00 0.67 C ATOM 680 O ILE A 46 -3.465 -6.502 1.413 1.00 0.96 O ATOM 681 CB ILE A 46 -2.176 -4.124 -0.226 1.00 0.79 C ATOM 682 CG1 ILE A 46 -1.072 -3.187 0.299 1.00 1.69 C ATOM 683 CG2 ILE A 46 -2.593 -3.759 -1.657 1.00 1.18 C ATOM 684 CD1 ILE A 46 -1.472 -1.715 0.355 1.00 1.49 C ATOM 0 H ILE A 46 -2.276 -4.490 2.362 1.00 0.67 H new ATOM 0 HA ILE A 46 -4.147 -3.511 0.297 1.00 0.64 H new ATOM 0 HB ILE A 46 -1.710 -5.109 -0.212 1.00 0.79 H new ATOM 0 HG12 ILE A 46 -0.782 -3.511 1.298 1.00 1.69 H new ATOM 0 HG13 ILE A 46 -0.193 -3.289 -0.337 1.00 1.69 H new ATOM 0 HG21 ILE A 46 -1.706 -3.680 -2.285 1.00 1.18 H new ATOM 0 HG22 ILE A 46 -3.250 -4.533 -2.053 1.00 1.18 H new ATOM 0 HG23 ILE A 46 -3.119 -2.805 -1.650 1.00 1.18 H new ATOM 0 HD11 ILE A 46 -0.638 -1.126 0.736 1.00 1.49 H new ATOM 0 HD12 ILE A 46 -1.733 -1.371 -0.646 1.00 1.49 H new ATOM 0 HD13 ILE A 46 -2.331 -1.596 1.015 1.00 1.49 H new ATOM 696 N LYS A 47 -4.838 -5.976 -0.286 1.00 0.59 N ATOM 697 CA LYS A 47 -5.014 -7.348 -0.718 1.00 0.73 C ATOM 698 C LYS A 47 -5.053 -7.366 -2.236 1.00 0.61 C ATOM 699 O LYS A 47 -5.571 -6.429 -2.849 1.00 0.66 O ATOM 700 CB LYS A 47 -6.209 -8.016 -0.045 1.00 1.31 C ATOM 701 CG LYS A 47 -7.441 -7.111 0.005 1.00 1.01 C ATOM 702 CD LYS A 47 -8.717 -7.957 -0.116 1.00 1.76 C ATOM 703 CE LYS A 47 -8.862 -8.999 1.011 1.00 1.57 C ATOM 704 NZ LYS A 47 -9.403 -10.280 0.510 1.00 2.44 N ATOM 0 H LYS A 47 -5.450 -5.300 -0.743 1.00 0.59 H new ATOM 0 HA LYS A 47 -4.169 -7.958 -0.398 1.00 0.73 H new ATOM 0 HB2 LYS A 47 -6.458 -8.932 -0.581 1.00 1.31 H new ATOM 0 HB3 LYS A 47 -5.934 -8.305 0.969 1.00 1.31 H new ATOM 0 HG2 LYS A 47 -7.453 -6.550 0.940 1.00 1.01 H new ATOM 0 HG3 LYS A 47 -7.400 -6.381 -0.804 1.00 1.01 H new ATOM 0 HD2 LYS A 47 -9.585 -7.298 -0.107 1.00 1.76 H new ATOM 0 HD3 LYS A 47 -8.716 -8.469 -1.078 1.00 1.76 H new ATOM 0 HE2 LYS A 47 -7.890 -9.171 1.474 1.00 1.57 H new ATOM 0 HE3 LYS A 47 -9.519 -8.606 1.787 1.00 1.57 H new ATOM 0 HZ1 LYS A 47 -9.860 -10.793 1.291 1.00 2.44 H new ATOM 0 HZ2 LYS A 47 -10.102 -10.093 -0.237 1.00 2.44 H new ATOM 0 HZ3 LYS A 47 -8.628 -10.857 0.124 1.00 2.44 H new ATOM 718 N TYR A 48 -4.409 -8.375 -2.820 1.00 0.81 N ATOM 719 CA TYR A 48 -3.858 -8.303 -4.160 1.00 0.75 C ATOM 720 C TYR A 48 -3.579 -9.708 -4.677 1.00 0.69 C ATOM 721 O TYR A 48 -3.450 -10.639 -3.879 1.00 0.80 O ATOM 722 CB TYR A 48 -2.553 -7.485 -4.124 1.00 0.78 C ATOM 723 CG TYR A 48 -1.364 -8.187 -3.477 1.00 0.72 C ATOM 724 CD1 TYR A 48 -1.375 -8.516 -2.108 1.00 2.15 C ATOM 725 CD2 TYR A 48 -0.267 -8.583 -4.263 1.00 2.12 C ATOM 726 CE1 TYR A 48 -0.381 -9.351 -1.576 1.00 2.13 C ATOM 727 CE2 TYR A 48 0.816 -9.260 -3.681 1.00 2.19 C ATOM 728 CZ TYR A 48 0.737 -9.693 -2.351 1.00 0.92 C ATOM 729 OH TYR A 48 1.756 -10.418 -1.807 1.00 1.07 O ATOM 0 H TYR A 48 -4.256 -9.275 -2.365 1.00 0.81 H new ATOM 0 HA TYR A 48 -4.572 -7.819 -4.827 1.00 0.75 H new ATOM 0 HB2 TYR A 48 -2.284 -7.216 -5.145 1.00 0.78 H new ATOM 0 HB3 TYR A 48 -2.741 -6.555 -3.588 1.00 0.78 H new ATOM 0 HD1 TYR A 48 -2.150 -8.125 -1.466 1.00 2.15 H new ATOM 0 HD2 TYR A 48 -0.258 -8.365 -5.321 1.00 2.12 H new ATOM 0 HE1 TYR A 48 -0.477 -9.731 -0.569 1.00 2.13 H new ATOM 0 HE2 TYR A 48 1.710 -9.447 -4.258 1.00 2.19 H new ATOM 0 HH TYR A 48 2.449 -10.567 -2.484 1.00 1.07 H new ATOM 739 N ASP A 49 -3.451 -9.841 -5.999 1.00 0.69 N ATOM 740 CA ASP A 49 -2.952 -11.053 -6.629 1.00 0.81 C ATOM 741 C ASP A 49 -1.437 -10.915 -6.842 1.00 0.77 C ATOM 742 O ASP A 49 -0.999 -9.943 -7.464 1.00 0.75 O ATOM 743 CB ASP A 49 -3.667 -11.302 -7.956 1.00 0.98 C ATOM 744 CG ASP A 49 -3.091 -12.549 -8.607 1.00 2.20 C ATOM 745 OD1 ASP A 49 -1.943 -12.450 -9.092 1.00 3.57 O ATOM 746 OD2 ASP A 49 -3.774 -13.591 -8.550 1.00 2.81 O ATOM 0 H ASP A 49 -3.693 -9.104 -6.661 1.00 0.69 H new ATOM 0 HA ASP A 49 -3.149 -11.909 -5.983 1.00 0.81 H new ATOM 0 HB2 ASP A 49 -4.737 -11.426 -7.789 1.00 0.98 H new ATOM 0 HB3 ASP A 49 -3.545 -10.443 -8.616 1.00 0.98 H new ATOM 751 N PRO A 50 -0.624 -11.855 -6.333 1.00 0.91 N ATOM 752 CA PRO A 50 0.825 -11.748 -6.365 1.00 1.00 C ATOM 753 C PRO A 50 1.427 -11.960 -7.757 1.00 1.23 C ATOM 754 O PRO A 50 2.572 -11.568 -7.971 1.00 2.04 O ATOM 755 CB PRO A 50 1.329 -12.793 -5.365 1.00 1.16 C ATOM 756 CG PRO A 50 0.249 -13.872 -5.426 1.00 1.29 C ATOM 757 CD PRO A 50 -1.031 -13.063 -5.632 1.00 1.11 C ATOM 0 HA PRO A 50 1.136 -10.737 -6.100 1.00 1.00 H new ATOM 0 HB2 PRO A 50 2.307 -13.184 -5.647 1.00 1.16 H new ATOM 0 HB3 PRO A 50 1.429 -12.378 -4.362 1.00 1.16 H new ATOM 0 HG2 PRO A 50 0.422 -14.570 -6.245 1.00 1.29 H new ATOM 0 HG3 PRO A 50 0.212 -14.459 -4.508 1.00 1.29 H new ATOM 0 HD2 PRO A 50 -1.761 -13.626 -6.214 1.00 1.11 H new ATOM 0 HD3 PRO A 50 -1.500 -12.823 -4.678 1.00 1.11 H new ATOM 765 N GLU A 51 0.702 -12.580 -8.694 1.00 0.96 N ATOM 766 CA GLU A 51 1.172 -12.763 -10.054 1.00 1.10 C ATOM 767 C GLU A 51 0.898 -11.473 -10.826 1.00 0.96 C ATOM 768 O GLU A 51 1.787 -10.936 -11.486 1.00 1.54 O ATOM 769 CB GLU A 51 0.481 -13.989 -10.672 1.00 1.36 C ATOM 770 CG GLU A 51 1.100 -14.348 -12.026 1.00 3.24 C ATOM 771 CD GLU A 51 0.515 -15.637 -12.591 1.00 3.55 C ATOM 772 OE1 GLU A 51 0.817 -16.697 -12.003 1.00 3.79 O ATOM 773 OE2 GLU A 51 -0.212 -15.538 -13.602 1.00 4.17 O ATOM 0 H GLU A 51 -0.226 -12.966 -8.522 1.00 0.96 H new ATOM 0 HA GLU A 51 2.244 -12.957 -10.088 1.00 1.10 H new ATOM 0 HB2 GLU A 51 0.565 -14.838 -9.994 1.00 1.36 H new ATOM 0 HB3 GLU A 51 -0.583 -13.786 -10.797 1.00 1.36 H new ATOM 0 HG2 GLU A 51 0.932 -13.533 -12.730 1.00 3.24 H new ATOM 0 HG3 GLU A 51 2.179 -14.456 -11.915 1.00 3.24 H new ATOM 780 N ILE A 52 -0.330 -10.952 -10.723 1.00 0.62 N ATOM 781 CA ILE A 52 -0.710 -9.723 -11.409 1.00 0.70 C ATOM 782 C ILE A 52 0.111 -8.552 -10.877 1.00 0.68 C ATOM 783 O ILE A 52 0.529 -7.704 -11.665 1.00 0.90 O ATOM 784 CB ILE A 52 -2.224 -9.458 -11.338 1.00 0.84 C ATOM 785 CG1 ILE A 52 -2.987 -10.671 -11.894 1.00 1.97 C ATOM 786 CG2 ILE A 52 -2.584 -8.213 -12.168 1.00 1.86 C ATOM 787 CD1 ILE A 52 -4.510 -10.548 -11.783 1.00 3.11 C ATOM 0 H ILE A 52 -1.077 -11.369 -10.167 1.00 0.62 H new ATOM 0 HA ILE A 52 -0.483 -9.841 -12.469 1.00 0.70 H new ATOM 0 HB ILE A 52 -2.503 -9.291 -10.298 1.00 0.84 H new ATOM 0 HG12 ILE A 52 -2.718 -10.808 -12.941 1.00 1.97 H new ATOM 0 HG13 ILE A 52 -2.664 -11.566 -11.362 1.00 1.97 H new ATOM 0 HG21 ILE A 52 -3.658 -8.035 -12.110 1.00 1.86 H new ATOM 0 HG22 ILE A 52 -2.051 -7.347 -11.775 1.00 1.86 H new ATOM 0 HG23 ILE A 52 -2.298 -8.374 -13.208 1.00 1.86 H new ATOM 0 HD11 ILE A 52 -4.978 -11.442 -12.196 1.00 3.11 H new ATOM 0 HD12 ILE A 52 -4.791 -10.442 -10.735 1.00 3.11 H new ATOM 0 HD13 ILE A 52 -4.846 -9.673 -12.339 1.00 3.11 H new ATOM 799 N ILE A 53 0.351 -8.488 -9.561 1.00 0.54 N ATOM 800 CA ILE A 53 1.247 -7.486 -9.009 1.00 0.59 C ATOM 801 C ILE A 53 2.159 -8.097 -7.942 1.00 0.67 C ATOM 802 O ILE A 53 1.722 -8.436 -6.847 1.00 1.17 O ATOM 803 CB ILE A 53 0.453 -6.244 -8.560 1.00 0.71 C ATOM 804 CG1 ILE A 53 1.406 -5.055 -8.452 1.00 1.39 C ATOM 805 CG2 ILE A 53 -0.326 -6.418 -7.254 1.00 0.89 C ATOM 806 CD1 ILE A 53 0.651 -3.734 -8.303 1.00 0.95 C ATOM 0 H ILE A 53 -0.062 -9.116 -8.871 1.00 0.54 H new ATOM 0 HA ILE A 53 1.927 -7.127 -9.781 1.00 0.59 H new ATOM 0 HB ILE A 53 -0.307 -6.074 -9.323 1.00 0.71 H new ATOM 0 HG12 ILE A 53 2.066 -5.195 -7.596 1.00 1.39 H new ATOM 0 HG13 ILE A 53 2.038 -5.014 -9.339 1.00 1.39 H new ATOM 0 HG21 ILE A 53 -0.853 -5.493 -7.019 1.00 0.89 H new ATOM 0 HG22 ILE A 53 -1.047 -7.228 -7.365 1.00 0.89 H new ATOM 0 HG23 ILE A 53 0.366 -6.657 -6.447 1.00 0.89 H new ATOM 0 HD11 ILE A 53 1.365 -2.913 -8.229 1.00 0.95 H new ATOM 0 HD12 ILE A 53 0.010 -3.581 -9.172 1.00 0.95 H new ATOM 0 HD13 ILE A 53 0.039 -3.764 -7.402 1.00 0.95 H new ATOM 818 N GLY A 54 3.451 -8.233 -8.254 1.00 0.94 N ATOM 819 CA GLY A 54 4.428 -8.650 -7.262 1.00 1.04 C ATOM 820 C GLY A 54 4.428 -7.654 -6.097 1.00 0.98 C ATOM 821 O GLY A 54 4.322 -6.450 -6.330 1.00 1.17 O ATOM 0 H GLY A 54 3.837 -8.060 -9.182 1.00 0.94 H new ATOM 0 HA2 GLY A 54 4.190 -9.650 -6.900 1.00 1.04 H new ATOM 0 HA3 GLY A 54 5.420 -8.701 -7.711 1.00 1.04 H new ATOM 825 N PRO A 55 4.560 -8.114 -4.842 1.00 0.89 N ATOM 826 CA PRO A 55 4.413 -7.261 -3.671 1.00 0.92 C ATOM 827 C PRO A 55 5.358 -6.059 -3.721 1.00 0.73 C ATOM 828 O PRO A 55 4.972 -4.941 -3.379 1.00 0.79 O ATOM 829 CB PRO A 55 4.661 -8.168 -2.460 1.00 1.08 C ATOM 830 CG PRO A 55 5.440 -9.355 -3.030 1.00 1.02 C ATOM 831 CD PRO A 55 4.904 -9.471 -4.457 1.00 0.94 C ATOM 0 HA PRO A 55 3.418 -6.819 -3.618 1.00 0.92 H new ATOM 0 HB2 PRO A 55 5.231 -7.652 -1.687 1.00 1.08 H new ATOM 0 HB3 PRO A 55 3.724 -8.489 -2.005 1.00 1.08 H new ATOM 0 HG2 PRO A 55 6.515 -9.175 -3.017 1.00 1.02 H new ATOM 0 HG3 PRO A 55 5.262 -10.266 -2.458 1.00 1.02 H new ATOM 0 HD2 PRO A 55 5.653 -9.893 -5.127 1.00 0.94 H new ATOM 0 HD3 PRO A 55 4.034 -10.126 -4.499 1.00 0.94 H new ATOM 839 N ARG A 56 6.597 -6.275 -4.176 1.00 0.60 N ATOM 840 CA ARG A 56 7.572 -5.204 -4.303 1.00 0.65 C ATOM 841 C ARG A 56 7.073 -4.066 -5.191 1.00 0.59 C ATOM 842 O ARG A 56 7.476 -2.933 -4.960 1.00 0.66 O ATOM 843 CB ARG A 56 8.936 -5.752 -4.765 1.00 0.92 C ATOM 844 CG ARG A 56 10.057 -4.692 -4.800 1.00 1.86 C ATOM 845 CD ARG A 56 10.501 -4.225 -3.403 1.00 3.24 C ATOM 846 NE ARG A 56 11.007 -2.838 -3.418 1.00 4.18 N ATOM 847 CZ ARG A 56 11.445 -2.179 -2.332 1.00 5.53 C ATOM 848 NH1 ARG A 56 11.587 -2.822 -1.169 1.00 6.38 N ATOM 849 NH2 ARG A 56 11.731 -0.882 -2.390 1.00 6.45 N ATOM 0 H ARG A 56 6.943 -7.191 -4.462 1.00 0.60 H new ATOM 0 HA ARG A 56 7.712 -4.771 -3.313 1.00 0.65 H new ATOM 0 HB2 ARG A 56 9.236 -6.561 -4.099 1.00 0.92 H new ATOM 0 HB3 ARG A 56 8.825 -6.182 -5.760 1.00 0.92 H new ATOM 0 HG2 ARG A 56 10.918 -5.102 -5.328 1.00 1.86 H new ATOM 0 HG3 ARG A 56 9.713 -3.829 -5.371 1.00 1.86 H new ATOM 0 HD2 ARG A 56 9.660 -4.297 -2.713 1.00 3.24 H new ATOM 0 HD3 ARG A 56 11.279 -4.891 -3.029 1.00 3.24 H new ATOM 0 HE ARG A 56 11.025 -2.347 -4.312 1.00 4.18 H new ATOM 0 HH11 ARG A 56 11.363 -3.815 -1.105 1.00 6.38 H new ATOM 0 HH12 ARG A 56 11.920 -2.320 -0.346 1.00 6.38 H new ATOM 0 HH21 ARG A 56 11.619 -0.374 -3.267 1.00 6.45 H new ATOM 0 HH22 ARG A 56 12.063 -0.395 -1.557 1.00 6.45 H new ATOM 863 N ASP A 57 6.214 -4.319 -6.181 1.00 0.56 N ATOM 864 CA ASP A 57 5.737 -3.248 -7.046 1.00 0.62 C ATOM 865 C ASP A 57 4.918 -2.235 -6.238 1.00 0.54 C ATOM 866 O ASP A 57 5.132 -1.029 -6.340 1.00 0.61 O ATOM 867 CB ASP A 57 4.944 -3.830 -8.213 1.00 0.76 C ATOM 868 CG ASP A 57 4.541 -2.737 -9.190 1.00 2.57 C ATOM 869 OD1 ASP A 57 3.599 -1.994 -8.849 1.00 4.12 O ATOM 870 OD2 ASP A 57 5.187 -2.665 -10.255 1.00 3.46 O ATOM 0 H ASP A 57 5.841 -5.243 -6.399 1.00 0.56 H new ATOM 0 HA ASP A 57 6.590 -2.713 -7.464 1.00 0.62 H new ATOM 0 HB2 ASP A 57 5.544 -4.581 -8.727 1.00 0.76 H new ATOM 0 HB3 ASP A 57 4.054 -4.335 -7.838 1.00 0.76 H new ATOM 875 N ILE A 58 4.029 -2.720 -5.363 1.00 0.48 N ATOM 876 CA ILE A 58 3.258 -1.858 -4.470 1.00 0.46 C ATOM 877 C ILE A 58 4.217 -1.007 -3.636 1.00 0.42 C ATOM 878 O ILE A 58 4.100 0.219 -3.596 1.00 0.44 O ATOM 879 CB ILE A 58 2.342 -2.696 -3.563 1.00 0.49 C ATOM 880 CG1 ILE A 58 1.263 -3.417 -4.385 1.00 0.53 C ATOM 881 CG2 ILE A 58 1.668 -1.802 -2.508 1.00 0.62 C ATOM 882 CD1 ILE A 58 0.814 -4.698 -3.681 1.00 0.61 C ATOM 0 H ILE A 58 3.827 -3.714 -5.257 1.00 0.48 H new ATOM 0 HA ILE A 58 2.623 -1.201 -5.065 1.00 0.46 H new ATOM 0 HB ILE A 58 2.961 -3.442 -3.064 1.00 0.49 H new ATOM 0 HG12 ILE A 58 0.408 -2.757 -4.530 1.00 0.53 H new ATOM 0 HG13 ILE A 58 1.652 -3.657 -5.374 1.00 0.53 H new ATOM 0 HG21 ILE A 58 1.023 -2.410 -1.874 1.00 0.62 H new ATOM 0 HG22 ILE A 58 2.432 -1.323 -1.895 1.00 0.62 H new ATOM 0 HG23 ILE A 58 1.071 -1.038 -3.006 1.00 0.62 H new ATOM 0 HD11 ILE A 58 0.050 -5.193 -4.280 1.00 0.61 H new ATOM 0 HD12 ILE A 58 1.668 -5.364 -3.559 1.00 0.61 H new ATOM 0 HD13 ILE A 58 0.404 -4.450 -2.702 1.00 0.61 H new ATOM 894 N ILE A 59 5.167 -1.672 -2.972 1.00 0.44 N ATOM 895 CA ILE A 59 6.185 -1.012 -2.169 1.00 0.52 C ATOM 896 C ILE A 59 6.862 0.090 -2.991 1.00 0.57 C ATOM 897 O ILE A 59 6.851 1.258 -2.610 1.00 0.59 O ATOM 898 CB ILE A 59 7.187 -2.065 -1.662 1.00 0.57 C ATOM 899 CG1 ILE A 59 6.554 -3.160 -0.781 1.00 0.78 C ATOM 900 CG2 ILE A 59 8.353 -1.392 -0.942 1.00 0.71 C ATOM 901 CD1 ILE A 59 5.882 -2.643 0.492 1.00 1.96 C ATOM 0 H ILE A 59 5.247 -2.689 -2.980 1.00 0.44 H new ATOM 0 HA ILE A 59 5.735 -0.533 -1.300 1.00 0.52 H new ATOM 0 HB ILE A 59 7.557 -2.580 -2.549 1.00 0.57 H new ATOM 0 HG12 ILE A 59 5.815 -3.702 -1.372 1.00 0.78 H new ATOM 0 HG13 ILE A 59 7.327 -3.876 -0.503 1.00 0.78 H new ATOM 0 HG21 ILE A 59 9.051 -2.152 -0.591 1.00 0.71 H new ATOM 0 HG22 ILE A 59 8.865 -0.719 -1.629 1.00 0.71 H new ATOM 0 HG23 ILE A 59 7.976 -0.824 -0.091 1.00 0.71 H new ATOM 0 HD11 ILE A 59 5.465 -3.482 1.049 1.00 1.96 H new ATOM 0 HD12 ILE A 59 6.618 -2.128 1.109 1.00 1.96 H new ATOM 0 HD13 ILE A 59 5.083 -1.951 0.226 1.00 1.96 H new ATOM 913 N HIS A 60 7.425 -0.280 -4.141 1.00 0.67 N ATOM 914 CA HIS A 60 8.089 0.639 -5.047 1.00 0.81 C ATOM 915 C HIS A 60 7.151 1.766 -5.489 1.00 0.67 C ATOM 916 O HIS A 60 7.606 2.892 -5.671 1.00 0.68 O ATOM 917 CB HIS A 60 8.726 -0.128 -6.218 1.00 1.15 C ATOM 918 CG HIS A 60 8.582 0.551 -7.550 1.00 1.55 C ATOM 919 ND1 HIS A 60 9.284 1.649 -7.995 1.00 3.20 N ATOM 920 CD2 HIS A 60 7.561 0.320 -8.427 1.00 3.20 C ATOM 921 CE1 HIS A 60 8.705 2.053 -9.140 1.00 4.39 C ATOM 922 NE2 HIS A 60 7.653 1.276 -9.445 1.00 4.69 N ATOM 0 H HIS A 60 7.429 -1.246 -4.469 1.00 0.67 H new ATOM 0 HA HIS A 60 8.905 1.132 -4.518 1.00 0.81 H new ATOM 0 HB2 HIS A 60 9.786 -0.272 -6.009 1.00 1.15 H new ATOM 0 HB3 HIS A 60 8.275 -1.119 -6.277 1.00 1.15 H new ATOM 0 HD2 HIS A 60 6.817 -0.459 -8.349 1.00 3.20 H new ATOM 0 HE1 HIS A 60 9.041 2.890 -9.734 1.00 4.39 H new ATOM 0 HE2 HIS A 60 7.042 1.365 -10.257 1.00 4.69 H new ATOM 930 N THR A 61 5.856 1.496 -5.663 1.00 0.60 N ATOM 931 CA THR A 61 4.918 2.530 -6.062 1.00 0.61 C ATOM 932 C THR A 61 4.834 3.549 -4.929 1.00 0.51 C ATOM 933 O THR A 61 5.058 4.738 -5.148 1.00 0.62 O ATOM 934 CB THR A 61 3.558 1.921 -6.438 1.00 0.67 C ATOM 935 OG1 THR A 61 3.729 1.063 -7.546 1.00 0.89 O ATOM 936 CG2 THR A 61 2.558 3.008 -6.843 1.00 0.81 C ATOM 0 H THR A 61 5.441 0.573 -5.533 1.00 0.60 H new ATOM 0 HA THR A 61 5.260 3.043 -6.961 1.00 0.61 H new ATOM 0 HB THR A 61 3.177 1.383 -5.570 1.00 0.67 H new ATOM 0 HG1 THR A 61 4.208 0.256 -7.264 1.00 0.89 H new ATOM 0 HG21 THR A 61 1.605 2.547 -7.104 1.00 0.81 H new ATOM 0 HG22 THR A 61 2.412 3.697 -6.011 1.00 0.81 H new ATOM 0 HG23 THR A 61 2.944 3.555 -7.703 1.00 0.81 H new ATOM 944 N ILE A 62 4.563 3.078 -3.709 1.00 0.39 N ATOM 945 CA ILE A 62 4.535 3.918 -2.520 1.00 0.40 C ATOM 946 C ILE A 62 5.821 4.751 -2.428 1.00 0.43 C ATOM 947 O ILE A 62 5.748 5.973 -2.288 1.00 0.50 O ATOM 948 CB ILE A 62 4.280 3.045 -1.277 1.00 0.41 C ATOM 949 CG1 ILE A 62 2.821 2.558 -1.280 1.00 0.49 C ATOM 950 CG2 ILE A 62 4.540 3.839 0.013 1.00 0.73 C ATOM 951 CD1 ILE A 62 2.588 1.378 -0.330 1.00 1.22 C ATOM 0 H ILE A 62 4.356 2.097 -3.523 1.00 0.39 H new ATOM 0 HA ILE A 62 3.714 4.632 -2.580 1.00 0.40 H new ATOM 0 HB ILE A 62 4.961 2.194 -1.311 1.00 0.41 H new ATOM 0 HG12 ILE A 62 2.167 3.382 -0.996 1.00 0.49 H new ATOM 0 HG13 ILE A 62 2.543 2.264 -2.292 1.00 0.49 H new ATOM 0 HG21 ILE A 62 4.353 3.201 0.877 1.00 0.73 H new ATOM 0 HG22 ILE A 62 5.576 4.178 0.029 1.00 0.73 H new ATOM 0 HG23 ILE A 62 3.876 4.702 0.049 1.00 0.73 H new ATOM 0 HD11 ILE A 62 1.541 1.077 -0.374 1.00 1.22 H new ATOM 0 HD12 ILE A 62 3.219 0.541 -0.628 1.00 1.22 H new ATOM 0 HD13 ILE A 62 2.838 1.676 0.688 1.00 1.22 H new ATOM 963 N GLU A 63 6.988 4.107 -2.544 1.00 0.46 N ATOM 964 CA GLU A 63 8.269 4.807 -2.564 1.00 0.57 C ATOM 965 C GLU A 63 8.265 5.897 -3.641 1.00 0.54 C ATOM 966 O GLU A 63 8.598 7.050 -3.377 1.00 0.60 O ATOM 967 CB GLU A 63 9.416 3.809 -2.786 1.00 0.71 C ATOM 968 CG GLU A 63 9.603 2.861 -1.590 1.00 0.99 C ATOM 969 CD GLU A 63 10.585 1.730 -1.877 1.00 1.02 C ATOM 970 OE1 GLU A 63 10.816 1.410 -3.067 1.00 1.58 O ATOM 971 OE2 GLU A 63 11.080 1.117 -0.902 1.00 2.25 O ATOM 0 H GLU A 63 7.067 3.093 -2.626 1.00 0.46 H new ATOM 0 HA GLU A 63 8.424 5.290 -1.599 1.00 0.57 H new ATOM 0 HB2 GLU A 63 9.217 3.223 -3.683 1.00 0.71 H new ATOM 0 HB3 GLU A 63 10.342 4.356 -2.962 1.00 0.71 H new ATOM 0 HG2 GLU A 63 9.956 3.433 -0.732 1.00 0.99 H new ATOM 0 HG3 GLU A 63 8.638 2.436 -1.315 1.00 0.99 H new ATOM 978 N SER A 64 7.868 5.521 -4.858 1.00 0.51 N ATOM 979 CA SER A 64 7.913 6.368 -6.036 1.00 0.56 C ATOM 980 C SER A 64 6.943 7.548 -5.970 1.00 0.53 C ATOM 981 O SER A 64 7.077 8.447 -6.798 1.00 0.82 O ATOM 982 CB SER A 64 7.663 5.540 -7.303 1.00 0.69 C ATOM 983 OG SER A 64 7.931 6.322 -8.452 1.00 1.26 O ATOM 0 H SER A 64 7.497 4.590 -5.049 1.00 0.51 H new ATOM 0 HA SER A 64 8.916 6.794 -6.071 1.00 0.56 H new ATOM 0 HB2 SER A 64 8.298 4.654 -7.300 1.00 0.69 H new ATOM 0 HB3 SER A 64 6.630 5.192 -7.322 1.00 0.69 H new ATOM 0 HG SER A 64 7.808 7.270 -8.238 1.00 1.26 H new ATOM 989 N LEU A 65 5.965 7.559 -5.053 1.00 0.47 N ATOM 990 CA LEU A 65 5.230 8.780 -4.763 1.00 0.52 C ATOM 991 C LEU A 65 6.168 9.717 -3.988 1.00 0.67 C ATOM 992 O LEU A 65 6.873 10.514 -4.601 1.00 1.07 O ATOM 993 CB LEU A 65 3.910 8.473 -4.039 1.00 0.62 C ATOM 994 CG LEU A 65 2.757 8.141 -5.005 1.00 0.73 C ATOM 995 CD1 LEU A 65 2.931 6.817 -5.754 1.00 2.15 C ATOM 996 CD2 LEU A 65 1.443 8.066 -4.227 1.00 2.09 C ATOM 0 H LEU A 65 5.674 6.745 -4.511 1.00 0.47 H new ATOM 0 HA LEU A 65 4.927 9.286 -5.679 1.00 0.52 H new ATOM 0 HB2 LEU A 65 4.061 7.634 -3.360 1.00 0.62 H new ATOM 0 HB3 LEU A 65 3.629 9.331 -3.428 1.00 0.62 H new ATOM 0 HG LEU A 65 2.754 8.941 -5.746 1.00 0.73 H new ATOM 0 HD11 LEU A 65 2.078 6.657 -6.413 1.00 2.15 H new ATOM 0 HD12 LEU A 65 3.845 6.851 -6.346 1.00 2.15 H new ATOM 0 HD13 LEU A 65 2.994 5.999 -5.037 1.00 2.15 H new ATOM 0 HD21 LEU A 65 0.628 7.831 -4.911 1.00 2.09 H new ATOM 0 HD22 LEU A 65 1.514 7.288 -3.467 1.00 2.09 H new ATOM 0 HD23 LEU A 65 1.249 9.025 -3.747 1.00 2.09 H new ATOM 1008 N GLY A 66 6.178 9.664 -2.653 1.00 0.65 N ATOM 1009 CA GLY A 66 7.193 10.368 -1.875 1.00 0.79 C ATOM 1010 C GLY A 66 7.332 9.791 -0.472 1.00 0.66 C ATOM 1011 O GLY A 66 7.482 10.549 0.485 1.00 0.82 O ATOM 0 H GLY A 66 5.500 9.145 -2.095 1.00 0.65 H new ATOM 0 HA2 GLY A 66 8.152 10.307 -2.389 1.00 0.79 H new ATOM 0 HA3 GLY A 66 6.933 11.424 -1.809 1.00 0.79 H new ATOM 1015 N PHE A 67 7.188 8.472 -0.330 1.00 0.59 N ATOM 1016 CA PHE A 67 6.807 7.846 0.934 1.00 0.53 C ATOM 1017 C PHE A 67 7.749 6.689 1.277 1.00 0.61 C ATOM 1018 O PHE A 67 8.663 6.384 0.518 1.00 0.95 O ATOM 1019 CB PHE A 67 5.348 7.392 0.825 1.00 0.58 C ATOM 1020 CG PHE A 67 4.375 8.462 0.350 1.00 0.62 C ATOM 1021 CD1 PHE A 67 4.454 9.774 0.856 1.00 1.65 C ATOM 1022 CD2 PHE A 67 3.342 8.128 -0.544 1.00 1.59 C ATOM 1023 CE1 PHE A 67 3.517 10.744 0.468 1.00 1.62 C ATOM 1024 CE2 PHE A 67 2.377 9.089 -0.895 1.00 1.64 C ATOM 1025 CZ PHE A 67 2.456 10.391 -0.379 1.00 0.63 C ATOM 0 H PHE A 67 7.333 7.808 -1.091 1.00 0.59 H new ATOM 0 HA PHE A 67 6.895 8.562 1.751 1.00 0.53 H new ATOM 0 HB2 PHE A 67 5.297 6.546 0.140 1.00 0.58 H new ATOM 0 HB3 PHE A 67 5.021 7.032 1.801 1.00 0.58 H new ATOM 0 HD1 PHE A 67 5.241 10.035 1.548 1.00 1.65 H new ATOM 0 HD2 PHE A 67 3.290 7.133 -0.961 1.00 1.59 H new ATOM 0 HE1 PHE A 67 3.613 11.760 0.821 1.00 1.62 H new ATOM 0 HE2 PHE A 67 1.572 8.824 -1.564 1.00 1.64 H new ATOM 0 HZ PHE A 67 1.701 11.120 -0.633 1.00 0.63 H new ATOM 1035 N GLU A 68 7.537 6.066 2.437 1.00 0.58 N ATOM 1036 CA GLU A 68 8.255 4.888 2.902 1.00 0.68 C ATOM 1037 C GLU A 68 7.211 3.787 3.092 1.00 0.71 C ATOM 1038 O GLU A 68 6.065 4.079 3.441 1.00 0.91 O ATOM 1039 CB GLU A 68 8.970 5.239 4.218 1.00 0.96 C ATOM 1040 CG GLU A 68 9.622 4.053 4.952 1.00 2.16 C ATOM 1041 CD GLU A 68 9.989 4.404 6.392 1.00 2.50 C ATOM 1042 OE1 GLU A 68 10.385 5.567 6.616 1.00 2.38 O ATOM 1043 OE2 GLU A 68 9.799 3.520 7.257 1.00 3.67 O ATOM 0 H GLU A 68 6.832 6.384 3.101 1.00 0.58 H new ATOM 0 HA GLU A 68 9.014 4.549 2.197 1.00 0.68 H new ATOM 0 HB2 GLU A 68 9.740 5.981 4.007 1.00 0.96 H new ATOM 0 HB3 GLU A 68 8.250 5.708 4.889 1.00 0.96 H new ATOM 0 HG2 GLU A 68 8.938 3.204 4.949 1.00 2.16 H new ATOM 0 HG3 GLU A 68 10.518 3.742 4.415 1.00 2.16 H new ATOM 1050 N ALA A 69 7.604 2.529 2.879 1.00 0.67 N ATOM 1051 CA ALA A 69 6.804 1.363 3.210 1.00 0.69 C ATOM 1052 C ALA A 69 7.714 0.301 3.817 1.00 0.70 C ATOM 1053 O ALA A 69 8.785 0.033 3.279 1.00 1.01 O ATOM 1054 CB ALA A 69 6.111 0.822 1.965 1.00 0.95 C ATOM 0 H ALA A 69 8.506 2.295 2.463 1.00 0.67 H new ATOM 0 HA ALA A 69 6.033 1.640 3.929 1.00 0.69 H new ATOM 0 HB1 ALA A 69 5.516 -0.052 2.231 1.00 0.95 H new ATOM 0 HB2 ALA A 69 5.461 1.591 1.547 1.00 0.95 H new ATOM 0 HB3 ALA A 69 6.860 0.539 1.225 1.00 0.95 H new ATOM 1060 N SER A 70 7.286 -0.295 4.931 1.00 0.64 N ATOM 1061 CA SER A 70 8.045 -1.290 5.673 1.00 0.83 C ATOM 1062 C SER A 70 7.125 -2.463 6.018 1.00 0.77 C ATOM 1063 O SER A 70 6.290 -2.355 6.918 1.00 0.93 O ATOM 1064 CB SER A 70 8.638 -0.631 6.924 1.00 1.06 C ATOM 1065 OG SER A 70 9.451 -1.556 7.621 1.00 1.77 O ATOM 0 H SER A 70 6.378 -0.090 5.349 1.00 0.64 H new ATOM 0 HA SER A 70 8.871 -1.679 5.077 1.00 0.83 H new ATOM 0 HB2 SER A 70 9.227 0.241 6.641 1.00 1.06 H new ATOM 0 HB3 SER A 70 7.837 -0.278 7.573 1.00 1.06 H new ATOM 0 HG SER A 70 9.827 -1.126 8.418 1.00 1.77 H new ATOM 1071 N LEU A 71 7.247 -3.583 5.297 1.00 0.92 N ATOM 1072 CA LEU A 71 6.469 -4.804 5.512 1.00 0.99 C ATOM 1073 C LEU A 71 6.951 -5.546 6.766 1.00 1.37 C ATOM 1074 O LEU A 71 7.333 -6.711 6.706 1.00 2.24 O ATOM 1075 CB LEU A 71 6.492 -5.681 4.246 1.00 1.48 C ATOM 1076 CG LEU A 71 7.907 -6.017 3.733 1.00 1.92 C ATOM 1077 CD1 LEU A 71 7.996 -7.503 3.370 1.00 2.15 C ATOM 1078 CD2 LEU A 71 8.257 -5.184 2.491 1.00 3.11 C ATOM 0 H LEU A 71 7.910 -3.665 4.526 1.00 0.92 H new ATOM 0 HA LEU A 71 5.428 -4.539 5.696 1.00 0.99 H new ATOM 0 HB2 LEU A 71 5.963 -6.611 4.453 1.00 1.48 H new ATOM 0 HB3 LEU A 71 5.943 -5.171 3.455 1.00 1.48 H new ATOM 0 HG LEU A 71 8.613 -5.783 4.530 1.00 1.92 H new ATOM 0 HD11 LEU A 71 8.999 -7.730 3.009 1.00 2.15 H new ATOM 0 HD12 LEU A 71 7.783 -8.106 4.252 1.00 2.15 H new ATOM 0 HD13 LEU A 71 7.269 -7.731 2.590 1.00 2.15 H new ATOM 0 HD21 LEU A 71 9.260 -5.442 2.151 1.00 3.11 H new ATOM 0 HD22 LEU A 71 7.540 -5.395 1.698 1.00 3.11 H new ATOM 0 HD23 LEU A 71 8.220 -4.124 2.742 1.00 3.11 H new ATOM 1090 N VAL A 72 6.911 -4.866 7.915 1.00 1.90 N ATOM 1091 CA VAL A 72 7.261 -5.437 9.208 1.00 2.27 C ATOM 1092 C VAL A 72 6.284 -6.556 9.582 1.00 2.04 C ATOM 1093 O VAL A 72 6.685 -7.553 10.174 1.00 3.07 O ATOM 1094 CB VAL A 72 7.329 -4.314 10.264 1.00 2.87 C ATOM 1095 CG1 VAL A 72 5.988 -3.603 10.499 1.00 2.56 C ATOM 1096 CG2 VAL A 72 7.861 -4.846 11.601 1.00 3.81 C ATOM 0 H VAL A 72 6.629 -3.887 7.968 1.00 1.90 H new ATOM 0 HA VAL A 72 8.248 -5.898 9.160 1.00 2.27 H new ATOM 0 HB VAL A 72 8.018 -3.576 9.853 1.00 2.87 H new ATOM 0 HG11 VAL A 72 6.115 -2.827 11.254 1.00 2.56 H new ATOM 0 HG12 VAL A 72 5.648 -3.151 9.567 1.00 2.56 H new ATOM 0 HG13 VAL A 72 5.248 -4.326 10.843 1.00 2.56 H new ATOM 0 HG21 VAL A 72 7.899 -4.034 12.327 1.00 3.81 H new ATOM 0 HG22 VAL A 72 7.200 -5.631 11.969 1.00 3.81 H new ATOM 0 HG23 VAL A 72 8.863 -5.252 11.459 1.00 3.81 H new ATOM 1106 N LYS A 73 5.005 -6.363 9.235 1.00 1.95 N ATOM 1107 CA LYS A 73 3.887 -7.252 9.506 1.00 2.16 C ATOM 1108 C LYS A 73 3.935 -7.884 10.905 1.00 2.34 C ATOM 1109 O LYS A 73 4.274 -9.055 11.073 1.00 2.72 O ATOM 1110 CB LYS A 73 3.718 -8.287 8.386 1.00 2.34 C ATOM 1111 CG LYS A 73 2.311 -8.880 8.507 1.00 2.19 C ATOM 1112 CD LYS A 73 1.978 -9.983 7.498 1.00 2.36 C ATOM 1113 CE LYS A 73 0.464 -10.039 7.230 1.00 3.11 C ATOM 1114 NZ LYS A 73 -0.367 -9.927 8.452 1.00 3.87 N ATOM 0 H LYS A 73 4.714 -5.528 8.727 1.00 1.95 H new ATOM 0 HA LYS A 73 2.989 -6.634 9.513 1.00 2.16 H new ATOM 0 HB2 LYS A 73 3.853 -7.820 7.410 1.00 2.34 H new ATOM 0 HB3 LYS A 73 4.472 -9.070 8.472 1.00 2.34 H new ATOM 0 HG2 LYS A 73 2.189 -9.281 9.513 1.00 2.19 H new ATOM 0 HG3 LYS A 73 1.584 -8.075 8.394 1.00 2.19 H new ATOM 0 HD2 LYS A 73 2.511 -9.801 6.565 1.00 2.36 H new ATOM 0 HD3 LYS A 73 2.320 -10.945 7.878 1.00 2.36 H new ATOM 0 HE2 LYS A 73 0.196 -9.234 6.545 1.00 3.11 H new ATOM 0 HE3 LYS A 73 0.228 -10.977 6.727 1.00 3.11 H new ATOM 0 HZ1 LYS A 73 -1.335 -9.651 8.190 1.00 3.87 H new ATOM 0 HZ2 LYS A 73 -0.389 -10.844 8.942 1.00 3.87 H new ATOM 0 HZ3 LYS A 73 0.039 -9.207 9.083 1.00 3.87 H new ATOM 1128 N ILE A 74 3.517 -7.107 11.903 1.00 3.39 N ATOM 1129 CA ILE A 74 3.294 -7.586 13.260 1.00 4.24 C ATOM 1130 C ILE A 74 2.052 -8.495 13.302 1.00 4.82 C ATOM 1131 O ILE A 74 1.007 -8.102 13.816 1.00 5.71 O ATOM 1132 CB ILE A 74 3.282 -6.390 14.242 1.00 5.73 C ATOM 1133 CG1 ILE A 74 3.125 -6.810 15.714 1.00 6.20 C ATOM 1134 CG2 ILE A 74 2.248 -5.299 13.915 1.00 7.47 C ATOM 1135 CD1 ILE A 74 4.170 -7.842 16.141 1.00 6.17 C ATOM 0 H ILE A 74 3.322 -6.113 11.787 1.00 3.39 H new ATOM 0 HA ILE A 74 4.115 -8.221 13.595 1.00 4.24 H new ATOM 0 HB ILE A 74 4.272 -5.955 14.101 1.00 5.73 H new ATOM 0 HG12 ILE A 74 3.207 -5.929 16.351 1.00 6.20 H new ATOM 0 HG13 ILE A 74 2.128 -7.222 15.867 1.00 6.20 H new ATOM 0 HG21 ILE A 74 2.313 -4.502 14.656 1.00 7.47 H new ATOM 0 HG22 ILE A 74 2.451 -4.891 12.925 1.00 7.47 H new ATOM 0 HG23 ILE A 74 1.247 -5.730 13.932 1.00 7.47 H new ATOM 0 HD11 ILE A 74 4.015 -8.105 17.188 1.00 6.17 H new ATOM 0 HD12 ILE A 74 4.072 -8.735 15.524 1.00 6.17 H new ATOM 0 HD13 ILE A 74 5.168 -7.422 16.016 1.00 6.17 H new ATOM 1147 N GLU A 75 2.205 -9.709 12.762 1.00 5.04 N ATOM 1148 CA GLU A 75 1.175 -10.721 12.540 1.00 6.30 C ATOM 1149 C GLU A 75 0.440 -10.430 11.226 1.00 7.35 C ATOM 1150 O GLU A 75 0.290 -9.241 10.858 1.00 7.84 O ATOM 1151 CB GLU A 75 0.243 -10.885 13.755 1.00 7.21 C ATOM 1152 CG GLU A 75 -0.432 -12.264 13.789 1.00 8.02 C ATOM 1153 CD GLU A 75 -1.255 -12.452 15.056 1.00 9.33 C ATOM 1154 OE1 GLU A 75 -0.621 -12.584 16.126 1.00 9.81 O ATOM 1155 OE2 GLU A 75 -2.499 -12.466 14.937 1.00 10.25 O ATOM 1156 OXT GLU A 75 0.108 -11.393 10.496 1.00 8.23 O ATOM 0 H GLU A 75 3.120 -10.030 12.447 1.00 5.04 H new ATOM 0 HA GLU A 75 1.652 -11.696 12.434 1.00 6.30 H new ATOM 0 HB2 GLU A 75 0.815 -10.740 14.671 1.00 7.21 H new ATOM 0 HB3 GLU A 75 -0.522 -10.109 13.731 1.00 7.21 H new ATOM 0 HG2 GLU A 75 -1.075 -12.377 12.916 1.00 8.02 H new ATOM 0 HG3 GLU A 75 0.327 -13.043 13.728 1.00 8.02 H new TER 1163 GLU A 75 HETATM 1164 CU CU1 A 76 0.135 14.438 2.793 1.00 0.58 CU