USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 938 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 3 THR OG1 : rot 180:sc=-0.00903 USER MOD Set 1.2: A 116 HIS : no HE2:sc= -0.357 K(o=-0.37,f=1.3) USER MOD Set 2.1: A 42 MET CE :methyl -166:sc= -1.33 (180deg=-1.68) USER MOD Set 2.2: A 78 TYR OH : rot 15:sc= 0.0735 USER MOD Set 3.1: A 33 GLN : amide:sc= -0.33 K(o=-1.7,f=-8.6!) USER MOD Set 3.2: A 45 MET CE :methyl -176:sc= -1.32 (180deg=-1.1) USER MOD Set 4.1: A 21 HIS : no HD1:sc= -3.14! K(o=-3.1!,f=-1.8) USER MOD Set 4.2: A 89 GLN : amide:sc= 0 X(o=-3.1,f=-3.5) USER MOD Set 5.1: A 10 GLN : amide:sc= -4.53! C(o=-3.3!,f=-4.8!) USER MOD Set 5.2: A 99 LYS NZ :NH3+ -173:sc= 1.19 (180deg=1.11) USER MOD Set 6.1: A 4 HIS : no HD1:sc= -1.85 K(o=-2.2,f=-5.9!) USER MOD Set 6.2: A 113 HIS : no HD1:sc= -0.356 K(o=-2.2,f=-5.8!) USER MOD Single : A 1 MET CE :methyl -139:sc= -0.187 (180deg=-0.702) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.081 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 22 GLN : amide:sc= -0.273 X(o=-0.27,f=-0.59) USER MOD Single : A 23 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-0.21) USER MOD Single : A 26 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 30 GLN : amide:sc= 1.15 K(o=1.2,f=-0.77) USER MOD Single : A 32 HIS : no HD1:sc= -0.0311 X(o=-0.031,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.0102 K(o=-0.01,f=-1.2) USER MOD Single : A 36 SER OG : rot -133:sc= 1.2 USER MOD Single : A 37 THR OG1 : rot -30:sc= 1.25 USER MOD Single : A 38 GLN : amide:sc= -0.287 X(o=-0.29,f=-0.051) USER MOD Single : A 44 THR OG1 : rot 166:sc= -2.1! USER MOD Single : A 52 GLN : amide:sc= -1.93! K(o=-1.9!,f=-0.68) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HD1:sc= -0.957 K(o=-0.96,f=-0.006) USER MOD Single : A 65 ASN : amide:sc=-0.00936 K(o=-0.0094,f=-1.1) USER MOD Single : A 66 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0741) USER MOD Single : A 67 GLN : amide:sc= -0.264 X(o=-0.26,f=-0.5) USER MOD Single : A 79 TYR OH : rot 21:sc= 1.25 USER MOD Single : A 81 MET CE :methyl -147:sc= -0.31 (180deg=-1.12) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.13 USER MOD Single : A 87 HIS : no HD1:sc= -0.143 X(o=-0.14,f=-0.088) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 HIS : no HD1:sc= -0.617 K(o=-0.62,f=0.13) USER MOD Single : A 114 HIS : no HD1:sc= -0.157 X(o=-0.16,f=-0.3) USER MOD Single : A 115 HIS : no HE2:sc= 1 K(o=1,f=-3.2!) USER MOD Single : A 117 HIS : no HD1:sc=-0.00396 X(o=-0.004,f=-0.011) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.736 6.322 4.771 1.00 0.00 N ATOM 2 CA MET A 1 -16.807 5.600 5.663 1.00 0.00 C ATOM 3 C MET A 1 -17.217 4.137 5.742 1.00 0.00 C ATOM 4 O MET A 1 -18.311 3.811 6.204 1.00 0.00 O ATOM 5 CB MET A 1 -16.813 6.238 7.061 1.00 0.00 C ATOM 6 CG MET A 1 -15.677 5.783 7.974 1.00 0.00 C ATOM 7 SD MET A 1 -15.810 4.058 8.491 1.00 0.00 S ATOM 8 CE MET A 1 -17.361 4.077 9.389 1.00 0.00 C ATOM 0 H1 MET A 1 -17.457 7.322 4.716 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.703 5.900 3.821 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.703 6.252 5.147 1.00 0.00 H new ATOM 0 HA MET A 1 -15.795 5.664 5.262 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.761 7.321 6.951 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.763 6.011 7.545 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.728 5.926 7.458 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.657 6.418 8.860 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.268 3.469 10.289 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.608 5.102 9.668 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.152 3.672 8.758 1.00 0.00 H new ATOM 20 N THR A 2 -16.340 3.268 5.266 1.00 0.00 N ATOM 21 CA THR A 2 -16.568 1.832 5.279 1.00 0.00 C ATOM 22 C THR A 2 -15.242 1.113 5.501 1.00 0.00 C ATOM 23 O THR A 2 -14.198 1.757 5.586 1.00 0.00 O ATOM 24 CB THR A 2 -17.192 1.344 3.954 1.00 0.00 C ATOM 25 OG1 THR A 2 -16.465 1.885 2.844 1.00 0.00 O ATOM 26 CG2 THR A 2 -18.659 1.731 3.850 1.00 0.00 C ATOM 0 H THR A 2 -15.446 3.540 4.858 1.00 0.00 H new ATOM 0 HA THR A 2 -17.265 1.608 6.087 1.00 0.00 H new ATOM 0 HB THR A 2 -17.131 0.256 3.936 1.00 0.00 H new ATOM 0 HG1 THR A 2 -16.865 1.570 2.006 1.00 0.00 H new ATOM 0 HG21 THR A 2 -19.064 1.371 2.904 1.00 0.00 H new ATOM 0 HG22 THR A 2 -19.213 1.284 4.676 1.00 0.00 H new ATOM 0 HG23 THR A 2 -18.753 2.816 3.895 1.00 0.00 H new ATOM 34 N THR A 3 -15.273 -0.209 5.580 1.00 0.00 N ATOM 35 CA THR A 3 -14.056 -0.987 5.741 1.00 0.00 C ATOM 36 C THR A 3 -13.163 -0.838 4.507 1.00 0.00 C ATOM 37 O THR A 3 -11.939 -0.762 4.614 1.00 0.00 O ATOM 38 CB THR A 3 -14.391 -2.468 5.980 1.00 0.00 C ATOM 39 OG1 THR A 3 -15.286 -2.574 7.095 1.00 0.00 O ATOM 40 CG2 THR A 3 -13.136 -3.287 6.252 1.00 0.00 C ATOM 0 H THR A 3 -16.127 -0.764 5.535 1.00 0.00 H new ATOM 0 HA THR A 3 -13.517 -0.609 6.610 1.00 0.00 H new ATOM 0 HB THR A 3 -14.861 -2.864 5.079 1.00 0.00 H new ATOM 0 HG1 THR A 3 -15.504 -3.517 7.251 1.00 0.00 H new ATOM 0 HG21 THR A 3 -13.410 -4.329 6.416 1.00 0.00 H new ATOM 0 HG22 THR A 3 -12.465 -3.219 5.396 1.00 0.00 H new ATOM 0 HG23 THR A 3 -12.634 -2.900 7.139 1.00 0.00 H new ATOM 48 N HIS A 4 -13.789 -0.771 3.337 1.00 0.00 N ATOM 49 CA HIS A 4 -13.058 -0.535 2.097 1.00 0.00 C ATOM 50 C HIS A 4 -12.517 0.887 2.065 1.00 0.00 C ATOM 51 O HIS A 4 -11.401 1.128 1.606 1.00 0.00 O ATOM 52 CB HIS A 4 -13.951 -0.780 0.877 1.00 0.00 C ATOM 53 CG HIS A 4 -14.227 -2.228 0.614 1.00 0.00 C ATOM 54 ND1 HIS A 4 -15.486 -2.781 0.663 1.00 0.00 N ATOM 55 CD2 HIS A 4 -13.389 -3.240 0.289 1.00 0.00 C ATOM 56 CE1 HIS A 4 -15.411 -4.066 0.384 1.00 0.00 C ATOM 57 NE2 HIS A 4 -14.150 -4.372 0.152 1.00 0.00 N ATOM 0 H HIS A 4 -14.797 -0.876 3.221 1.00 0.00 H new ATOM 0 HA HIS A 4 -12.224 -1.236 2.060 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -14.898 -0.259 1.020 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -13.477 -0.344 -0.002 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -12.319 -3.169 0.161 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -16.243 -4.754 0.351 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -13.798 -5.298 -0.090 1.00 0.00 H new ATOM 66 N ASP A 5 -13.315 1.819 2.571 1.00 0.00 N ATOM 67 CA ASP A 5 -12.931 3.226 2.625 1.00 0.00 C ATOM 68 C ASP A 5 -11.683 3.426 3.480 1.00 0.00 C ATOM 69 O ASP A 5 -10.813 4.216 3.130 1.00 0.00 O ATOM 70 CB ASP A 5 -14.093 4.059 3.165 1.00 0.00 C ATOM 71 CG ASP A 5 -13.724 5.504 3.435 1.00 0.00 C ATOM 72 OD1 ASP A 5 -13.437 6.243 2.470 1.00 0.00 O ATOM 73 OD2 ASP A 5 -13.745 5.908 4.616 1.00 0.00 O ATOM 0 H ASP A 5 -14.240 1.624 2.953 1.00 0.00 H new ATOM 0 HA ASP A 5 -12.694 3.558 1.614 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -14.915 4.029 2.450 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -14.457 3.606 4.087 1.00 0.00 H new ATOM 78 N ARG A 6 -11.583 2.688 4.584 1.00 0.00 N ATOM 79 CA ARG A 6 -10.412 2.784 5.455 1.00 0.00 C ATOM 80 C ARG A 6 -9.139 2.474 4.678 1.00 0.00 C ATOM 81 O ARG A 6 -8.158 3.216 4.747 1.00 0.00 O ATOM 82 CB ARG A 6 -10.519 1.828 6.644 1.00 0.00 C ATOM 83 CG ARG A 6 -11.785 1.994 7.461 1.00 0.00 C ATOM 84 CD ARG A 6 -11.673 1.272 8.795 1.00 0.00 C ATOM 85 NE ARG A 6 -12.951 1.204 9.500 1.00 0.00 N ATOM 86 CZ ARG A 6 -13.484 2.208 10.195 1.00 0.00 C ATOM 87 NH1 ARG A 6 -12.862 3.383 10.270 1.00 0.00 N ATOM 88 NH2 ARG A 6 -14.645 2.031 10.817 1.00 0.00 N ATOM 0 H ARG A 6 -12.291 2.023 4.895 1.00 0.00 H new ATOM 0 HA ARG A 6 -10.372 3.807 5.830 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -10.468 0.803 6.278 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -9.657 1.977 7.295 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -11.975 3.054 7.632 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -12.636 1.604 6.903 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -11.299 0.262 8.628 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -10.942 1.783 9.422 1.00 0.00 H new ATOM 0 HE ARG A 6 -13.471 0.328 9.457 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -11.971 3.520 9.793 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -13.277 4.146 10.804 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -15.122 1.131 10.760 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -15.059 2.795 11.351 1.00 0.00 H new ATOM 102 N VAL A 7 -9.167 1.377 3.930 1.00 0.00 N ATOM 103 CA VAL A 7 -8.027 0.973 3.116 1.00 0.00 C ATOM 104 C VAL A 7 -7.809 1.974 1.986 1.00 0.00 C ATOM 105 O VAL A 7 -6.678 2.267 1.604 1.00 0.00 O ATOM 106 CB VAL A 7 -8.235 -0.438 2.522 1.00 0.00 C ATOM 107 CG1 VAL A 7 -7.008 -0.893 1.747 1.00 0.00 C ATOM 108 CG2 VAL A 7 -8.569 -1.436 3.618 1.00 0.00 C ATOM 0 H VAL A 7 -9.969 0.750 3.870 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.148 0.950 3.760 1.00 0.00 H new ATOM 0 HB VAL A 7 -9.074 -0.388 1.828 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -7.183 -1.889 1.340 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.814 -0.197 0.931 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.146 -0.920 2.413 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -8.712 -2.424 3.180 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.751 -1.473 4.338 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -9.484 -1.128 4.124 1.00 0.00 H new ATOM 118 N ARG A 8 -8.906 2.508 1.474 1.00 0.00 N ATOM 119 CA ARG A 8 -8.864 3.479 0.390 1.00 0.00 C ATOM 120 C ARG A 8 -8.152 4.749 0.847 1.00 0.00 C ATOM 121 O ARG A 8 -7.296 5.286 0.141 1.00 0.00 O ATOM 122 CB ARG A 8 -10.288 3.797 -0.057 1.00 0.00 C ATOM 123 CG ARG A 8 -10.393 4.330 -1.472 1.00 0.00 C ATOM 124 CD ARG A 8 -11.848 4.547 -1.846 1.00 0.00 C ATOM 125 NE ARG A 8 -12.023 4.838 -3.266 1.00 0.00 N ATOM 126 CZ ARG A 8 -12.701 5.883 -3.731 1.00 0.00 C ATOM 127 NH1 ARG A 8 -13.251 6.756 -2.892 1.00 0.00 N ATOM 128 NH2 ARG A 8 -12.827 6.052 -5.040 1.00 0.00 N ATOM 0 H ARG A 8 -9.847 2.283 1.796 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.310 3.061 -0.450 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -10.892 2.893 0.024 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -10.716 4.529 0.627 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.845 5.268 -1.556 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.932 3.628 -2.167 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -12.423 3.658 -1.587 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -12.252 5.370 -1.257 1.00 0.00 H new ATOM 0 HE ARG A 8 -11.600 4.202 -3.942 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -13.154 6.626 -1.885 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -13.770 7.555 -3.256 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -12.405 5.383 -5.684 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -13.346 6.851 -5.403 1.00 0.00 H new ATOM 142 N LEU A 9 -8.500 5.205 2.044 1.00 0.00 N ATOM 143 CA LEU A 9 -7.856 6.362 2.653 1.00 0.00 C ATOM 144 C LEU A 9 -6.387 6.067 2.916 1.00 0.00 C ATOM 145 O LEU A 9 -5.531 6.943 2.792 1.00 0.00 O ATOM 146 CB LEU A 9 -8.544 6.719 3.971 1.00 0.00 C ATOM 147 CG LEU A 9 -10.041 6.992 3.874 1.00 0.00 C ATOM 148 CD1 LEU A 9 -10.629 7.178 5.260 1.00 0.00 C ATOM 149 CD2 LEU A 9 -10.305 8.213 3.010 1.00 0.00 C ATOM 0 H LEU A 9 -9.232 4.786 2.617 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.938 7.203 1.965 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.386 5.903 4.677 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.057 7.601 4.388 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.523 6.134 3.405 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.698 7.372 5.178 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.468 6.274 5.848 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.143 8.021 5.751 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -11.379 8.393 2.952 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.815 9.082 3.449 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.911 8.042 2.008 1.00 0.00 H new ATOM 161 N GLN A 10 -6.107 4.819 3.276 1.00 0.00 N ATOM 162 CA GLN A 10 -4.746 4.383 3.545 1.00 0.00 C ATOM 163 C GLN A 10 -3.926 4.421 2.265 1.00 0.00 C ATOM 164 O GLN A 10 -2.761 4.810 2.275 1.00 0.00 O ATOM 165 CB GLN A 10 -4.745 2.971 4.127 1.00 0.00 C ATOM 166 CG GLN A 10 -3.721 2.769 5.229 1.00 0.00 C ATOM 167 CD GLN A 10 -3.913 3.752 6.365 1.00 0.00 C ATOM 168 OE1 GLN A 10 -4.706 3.516 7.275 1.00 0.00 O ATOM 169 NE2 GLN A 10 -3.164 4.843 6.343 1.00 0.00 N ATOM 0 H GLN A 10 -6.811 4.089 3.388 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.299 5.060 4.273 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.737 2.748 4.519 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.551 2.257 3.327 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.796 1.752 5.613 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.718 2.881 4.818 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.518 5.003 5.570 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.233 5.524 7.099 1.00 0.00 H new ATOM 178 N LEU A 11 -4.549 4.021 1.163 1.00 0.00 N ATOM 179 CA LEU A 11 -3.915 4.091 -0.145 1.00 0.00 C ATOM 180 C LEU A 11 -3.642 5.539 -0.525 1.00 0.00 C ATOM 181 O LEU A 11 -2.614 5.845 -1.125 1.00 0.00 O ATOM 182 CB LEU A 11 -4.792 3.425 -1.205 1.00 0.00 C ATOM 183 CG LEU A 11 -4.983 1.919 -1.035 1.00 0.00 C ATOM 184 CD1 LEU A 11 -5.942 1.389 -2.084 1.00 0.00 C ATOM 185 CD2 LEU A 11 -3.646 1.198 -1.124 1.00 0.00 C ATOM 0 H LEU A 11 -5.497 3.644 1.151 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.966 3.556 -0.094 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.772 3.903 -1.197 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.355 3.612 -2.186 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.408 1.733 -0.049 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.069 0.315 -1.951 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.907 1.884 -1.978 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.540 1.587 -3.078 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.802 0.126 -1.001 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.193 1.389 -2.097 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.984 1.561 -0.338 1.00 0.00 H new ATOM 197 N GLN A 12 -4.563 6.429 -0.167 1.00 0.00 N ATOM 198 CA GLN A 12 -4.369 7.857 -0.389 1.00 0.00 C ATOM 199 C GLN A 12 -3.199 8.368 0.440 1.00 0.00 C ATOM 200 O GLN A 12 -2.365 9.130 -0.050 1.00 0.00 O ATOM 201 CB GLN A 12 -5.633 8.645 -0.044 1.00 0.00 C ATOM 202 CG GLN A 12 -6.767 8.459 -1.033 1.00 0.00 C ATOM 203 CD GLN A 12 -7.917 9.406 -0.763 1.00 0.00 C ATOM 204 OE1 GLN A 12 -8.173 9.781 0.381 1.00 0.00 O ATOM 205 NE2 GLN A 12 -8.607 9.816 -1.815 1.00 0.00 N ATOM 0 H GLN A 12 -5.449 6.187 0.277 1.00 0.00 H new ATOM 0 HA GLN A 12 -4.150 8.004 -1.447 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -5.976 8.346 0.946 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -5.384 9.705 0.012 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -6.395 8.620 -2.045 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -7.125 7.431 -0.984 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -8.363 9.481 -2.747 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -9.383 10.467 -1.694 1.00 0.00 H new ATOM 214 N ALA A 13 -3.140 7.935 1.694 1.00 0.00 N ATOM 215 CA ALA A 13 -2.049 8.305 2.587 1.00 0.00 C ATOM 216 C ALA A 13 -0.724 7.745 2.082 1.00 0.00 C ATOM 217 O ALA A 13 0.312 8.402 2.164 1.00 0.00 O ATOM 218 CB ALA A 13 -2.328 7.809 3.999 1.00 0.00 C ATOM 0 H ALA A 13 -3.839 7.324 2.117 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.977 9.392 2.606 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.504 8.093 4.654 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.253 8.255 4.365 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.427 6.724 3.990 1.00 0.00 H new ATOM 224 N LEU A 14 -0.772 6.531 1.550 1.00 0.00 N ATOM 225 CA LEU A 14 0.410 5.878 1.006 1.00 0.00 C ATOM 226 C LEU A 14 0.854 6.563 -0.285 1.00 0.00 C ATOM 227 O LEU A 14 2.047 6.769 -0.508 1.00 0.00 O ATOM 228 CB LEU A 14 0.113 4.396 0.762 1.00 0.00 C ATOM 229 CG LEU A 14 1.295 3.552 0.282 1.00 0.00 C ATOM 230 CD1 LEU A 14 2.452 3.638 1.267 1.00 0.00 C ATOM 231 CD2 LEU A 14 0.861 2.106 0.104 1.00 0.00 C ATOM 0 H LEU A 14 -1.625 5.975 1.484 1.00 0.00 H new ATOM 0 HA LEU A 14 1.225 5.959 1.725 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.266 3.963 1.688 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.686 4.321 0.024 1.00 0.00 H new ATOM 0 HG LEU A 14 1.634 3.942 -0.678 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.282 3.031 0.907 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.774 4.675 1.360 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.129 3.270 2.241 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.708 1.511 -0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.503 1.714 1.056 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.060 2.055 -0.634 1.00 0.00 H new ATOM 243 N GLU A 15 -0.113 6.920 -1.128 1.00 0.00 N ATOM 244 CA GLU A 15 0.170 7.685 -2.337 1.00 0.00 C ATOM 245 C GLU A 15 0.791 9.023 -1.960 1.00 0.00 C ATOM 246 O GLU A 15 1.782 9.454 -2.549 1.00 0.00 O ATOM 247 CB GLU A 15 -1.111 7.923 -3.144 1.00 0.00 C ATOM 248 CG GLU A 15 -0.873 8.649 -4.460 1.00 0.00 C ATOM 249 CD GLU A 15 -2.156 9.110 -5.121 1.00 0.00 C ATOM 250 OE1 GLU A 15 -2.886 8.264 -5.679 1.00 0.00 O ATOM 251 OE2 GLU A 15 -2.439 10.328 -5.087 1.00 0.00 O ATOM 0 H GLU A 15 -1.098 6.691 -0.995 1.00 0.00 H new ATOM 0 HA GLU A 15 0.866 7.115 -2.952 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.586 6.963 -3.348 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.809 8.502 -2.540 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.232 9.512 -4.282 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.336 7.989 -5.141 1.00 0.00 H new ATOM 258 N ALA A 16 0.204 9.663 -0.955 1.00 0.00 N ATOM 259 CA ALA A 16 0.716 10.921 -0.443 1.00 0.00 C ATOM 260 C ALA A 16 2.121 10.735 0.111 1.00 0.00 C ATOM 261 O ALA A 16 2.990 11.566 -0.111 1.00 0.00 O ATOM 262 CB ALA A 16 -0.212 11.480 0.625 1.00 0.00 C ATOM 0 H ALA A 16 -0.632 9.325 -0.478 1.00 0.00 H new ATOM 0 HA ALA A 16 0.761 11.636 -1.264 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.188 12.423 0.997 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.200 11.649 0.197 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.290 10.769 1.448 1.00 0.00 H new ATOM 268 N LEU A 17 2.340 9.623 0.809 1.00 0.00 N ATOM 269 CA LEU A 17 3.656 9.294 1.346 1.00 0.00 C ATOM 270 C LEU A 17 4.689 9.239 0.228 1.00 0.00 C ATOM 271 O LEU A 17 5.786 9.789 0.350 1.00 0.00 O ATOM 272 CB LEU A 17 3.601 7.959 2.105 1.00 0.00 C ATOM 273 CG LEU A 17 4.938 7.446 2.656 1.00 0.00 C ATOM 274 CD1 LEU A 17 4.730 6.770 3.999 1.00 0.00 C ATOM 275 CD2 LEU A 17 5.584 6.470 1.683 1.00 0.00 C ATOM 0 H LEU A 17 1.619 8.932 1.016 1.00 0.00 H new ATOM 0 HA LEU A 17 3.955 10.075 2.045 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.904 8.064 2.936 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.190 7.201 1.438 1.00 0.00 H new ATOM 0 HG LEU A 17 5.602 8.301 2.785 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.687 6.411 4.378 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.306 7.485 4.704 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.048 5.928 3.881 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.531 6.119 2.094 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.920 5.620 1.525 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.765 6.971 0.732 1.00 0.00 H new ATOM 287 N LEU A 18 4.332 8.581 -0.868 1.00 0.00 N ATOM 288 CA LEU A 18 5.211 8.499 -2.023 1.00 0.00 C ATOM 289 C LEU A 18 5.452 9.886 -2.610 1.00 0.00 C ATOM 290 O LEU A 18 6.557 10.198 -3.049 1.00 0.00 O ATOM 291 CB LEU A 18 4.630 7.560 -3.083 1.00 0.00 C ATOM 292 CG LEU A 18 4.494 6.098 -2.648 1.00 0.00 C ATOM 293 CD1 LEU A 18 3.903 5.262 -3.770 1.00 0.00 C ATOM 294 CD2 LEU A 18 5.843 5.537 -2.223 1.00 0.00 C ATOM 0 H LEU A 18 3.441 8.098 -0.979 1.00 0.00 H new ATOM 0 HA LEU A 18 6.167 8.091 -1.696 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.647 7.930 -3.374 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.262 7.602 -3.970 1.00 0.00 H new ATOM 0 HG LEU A 18 3.820 6.057 -1.793 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.814 4.226 -3.443 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.917 5.647 -4.030 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.554 5.312 -4.643 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.725 4.497 -1.918 1.00 0.00 H new ATOM 0 HD22 LEU A 18 6.540 5.593 -3.059 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.232 6.119 -1.387 1.00 0.00 H new ATOM 306 N ARG A 19 4.421 10.719 -2.597 1.00 0.00 N ATOM 307 CA ARG A 19 4.540 12.095 -3.071 1.00 0.00 C ATOM 308 C ARG A 19 5.457 12.906 -2.156 1.00 0.00 C ATOM 309 O ARG A 19 6.403 13.545 -2.621 1.00 0.00 O ATOM 310 CB ARG A 19 3.162 12.756 -3.143 1.00 0.00 C ATOM 311 CG ARG A 19 2.226 12.129 -4.164 1.00 0.00 C ATOM 312 CD ARG A 19 0.867 12.814 -4.156 1.00 0.00 C ATOM 313 NE ARG A 19 0.990 14.261 -4.333 1.00 0.00 N ATOM 314 CZ ARG A 19 0.177 15.156 -3.774 1.00 0.00 C ATOM 315 NH1 ARG A 19 -0.911 14.761 -3.123 1.00 0.00 N ATOM 316 NH2 ARG A 19 0.433 16.452 -3.893 1.00 0.00 N ATOM 0 H ARG A 19 3.490 10.468 -2.263 1.00 0.00 H new ATOM 0 HA ARG A 19 4.976 12.072 -4.070 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.695 12.706 -2.159 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.289 13.812 -3.383 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.667 12.201 -5.158 1.00 0.00 H new ATOM 0 HG3 ARG A 19 2.103 11.068 -3.946 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.247 12.401 -4.952 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.359 12.604 -3.215 1.00 0.00 H new ATOM 0 HE ARG A 19 1.747 14.607 -4.922 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.128 13.767 -3.049 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.529 15.451 -2.697 1.00 0.00 H new ATOM 0 HH21 ARG A 19 1.253 16.764 -4.413 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.190 17.136 -3.465 1.00 0.00 H new ATOM 330 N GLU A 20 5.178 12.852 -0.855 1.00 0.00 N ATOM 331 CA GLU A 20 5.943 13.590 0.149 1.00 0.00 C ATOM 332 C GLU A 20 7.412 13.180 0.141 1.00 0.00 C ATOM 333 O GLU A 20 8.301 14.013 0.307 1.00 0.00 O ATOM 334 CB GLU A 20 5.362 13.344 1.543 1.00 0.00 C ATOM 335 CG GLU A 20 3.948 13.868 1.729 1.00 0.00 C ATOM 336 CD GLU A 20 3.340 13.423 3.044 1.00 0.00 C ATOM 337 OE1 GLU A 20 3.801 13.888 4.106 1.00 0.00 O ATOM 338 OE2 GLU A 20 2.413 12.586 3.026 1.00 0.00 O ATOM 0 H GLU A 20 4.416 12.296 -0.467 1.00 0.00 H new ATOM 0 HA GLU A 20 5.875 14.649 -0.099 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.370 12.273 1.744 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.011 13.812 2.283 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.957 14.957 1.685 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.323 13.521 0.906 1.00 0.00 H new ATOM 345 N HIS A 21 7.660 11.893 -0.054 1.00 0.00 N ATOM 346 CA HIS A 21 9.020 11.372 -0.044 1.00 0.00 C ATOM 347 C HIS A 21 9.584 11.301 -1.460 1.00 0.00 C ATOM 348 O HIS A 21 10.511 10.540 -1.730 1.00 0.00 O ATOM 349 CB HIS A 21 9.061 10.002 0.641 1.00 0.00 C ATOM 350 CG HIS A 21 8.633 10.052 2.080 1.00 0.00 C ATOM 351 ND1 HIS A 21 9.166 10.936 2.989 1.00 0.00 N ATOM 352 CD2 HIS A 21 7.701 9.342 2.758 1.00 0.00 C ATOM 353 CE1 HIS A 21 8.582 10.769 4.160 1.00 0.00 C ATOM 354 NE2 HIS A 21 7.686 9.807 4.050 1.00 0.00 N ATOM 0 H HIS A 21 6.939 11.191 -0.221 1.00 0.00 H new ATOM 0 HA HIS A 21 9.649 12.055 0.527 1.00 0.00 H new ATOM 0 HB2 HIS A 21 8.415 9.312 0.099 1.00 0.00 H new ATOM 0 HB3 HIS A 21 10.074 9.603 0.583 1.00 0.00 H new ATOM 0 HD2 HIS A 21 7.082 8.554 2.356 1.00 0.00 H new ATOM 0 HE1 HIS A 21 8.801 11.327 5.059 1.00 0.00 H new ATOM 0 HE2 HIS A 21 7.083 9.466 4.799 1.00 0.00 H new ATOM 363 N GLN A 22 8.992 12.099 -2.353 1.00 0.00 N ATOM 364 CA GLN A 22 9.518 12.336 -3.704 1.00 0.00 C ATOM 365 C GLN A 22 9.627 11.069 -4.553 1.00 0.00 C ATOM 366 O GLN A 22 10.243 11.084 -5.617 1.00 0.00 O ATOM 367 CB GLN A 22 10.879 13.028 -3.618 1.00 0.00 C ATOM 368 CG GLN A 22 10.835 14.324 -2.829 1.00 0.00 C ATOM 369 CD GLN A 22 12.183 15.001 -2.722 1.00 0.00 C ATOM 370 OE1 GLN A 22 13.227 14.350 -2.708 1.00 0.00 O ATOM 371 NE2 GLN A 22 12.164 16.318 -2.652 1.00 0.00 N ATOM 0 H GLN A 22 8.127 12.604 -2.159 1.00 0.00 H new ATOM 0 HA GLN A 22 8.796 12.979 -4.207 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.596 12.351 -3.155 1.00 0.00 H new ATOM 0 HB3 GLN A 22 11.240 13.234 -4.626 1.00 0.00 H new ATOM 0 HG2 GLN A 22 10.129 15.007 -3.302 1.00 0.00 H new ATOM 0 HG3 GLN A 22 10.458 14.120 -1.827 1.00 0.00 H new ATOM 0 HE21 GLN A 22 11.274 16.817 -2.667 1.00 0.00 H new ATOM 0 HE22 GLN A 22 13.039 16.838 -2.583 1.00 0.00 H new ATOM 380 N HIS A 23 9.001 9.990 -4.114 1.00 0.00 N ATOM 381 CA HIS A 23 9.015 8.751 -4.877 1.00 0.00 C ATOM 382 C HIS A 23 8.033 8.825 -6.031 1.00 0.00 C ATOM 383 O HIS A 23 8.172 8.117 -7.024 1.00 0.00 O ATOM 384 CB HIS A 23 8.698 7.552 -3.985 1.00 0.00 C ATOM 385 CG HIS A 23 9.919 6.810 -3.551 1.00 0.00 C ATOM 386 ND1 HIS A 23 10.209 5.537 -3.975 1.00 0.00 N ATOM 387 CD2 HIS A 23 10.938 7.178 -2.745 1.00 0.00 C ATOM 388 CE1 HIS A 23 11.356 5.152 -3.453 1.00 0.00 C ATOM 389 NE2 HIS A 23 11.824 6.131 -2.701 1.00 0.00 N ATOM 0 H HIS A 23 8.479 9.945 -3.239 1.00 0.00 H new ATOM 0 HA HIS A 23 10.019 8.617 -5.281 1.00 0.00 H new ATOM 0 HB2 HIS A 23 8.155 7.895 -3.104 1.00 0.00 H new ATOM 0 HB3 HIS A 23 8.037 6.871 -4.522 1.00 0.00 H new ATOM 0 HD2 HIS A 23 11.037 8.122 -2.230 1.00 0.00 H new ATOM 0 HE1 HIS A 23 11.833 4.196 -3.613 1.00 0.00 H new ATOM 0 HE2 HIS A 23 12.698 6.112 -2.175 1.00 0.00 H new ATOM 398 N TRP A 24 7.058 9.710 -5.908 1.00 0.00 N ATOM 399 CA TRP A 24 6.067 9.892 -6.954 1.00 0.00 C ATOM 400 C TRP A 24 6.671 10.666 -8.122 1.00 0.00 C ATOM 401 O TRP A 24 6.090 10.742 -9.204 1.00 0.00 O ATOM 402 CB TRP A 24 4.846 10.626 -6.404 1.00 0.00 C ATOM 403 CG TRP A 24 3.586 10.293 -7.140 1.00 0.00 C ATOM 404 CD1 TRP A 24 2.950 11.062 -8.067 1.00 0.00 C ATOM 405 CD2 TRP A 24 2.817 9.092 -7.016 1.00 0.00 C ATOM 406 NE1 TRP A 24 1.830 10.414 -8.527 1.00 0.00 N ATOM 407 CE2 TRP A 24 1.725 9.203 -7.895 1.00 0.00 C ATOM 408 CE3 TRP A 24 2.946 7.935 -6.244 1.00 0.00 C ATOM 409 CZ2 TRP A 24 0.770 8.196 -8.024 1.00 0.00 C ATOM 410 CZ3 TRP A 24 1.998 6.938 -6.372 1.00 0.00 C ATOM 411 CH2 TRP A 24 0.922 7.074 -7.256 1.00 0.00 C ATOM 0 H TRP A 24 6.932 10.313 -5.095 1.00 0.00 H new ATOM 0 HA TRP A 24 5.750 8.912 -7.312 1.00 0.00 H new ATOM 0 HB2 TRP A 24 4.722 10.376 -5.350 1.00 0.00 H new ATOM 0 HB3 TRP A 24 5.019 11.701 -6.458 1.00 0.00 H new ATOM 0 HD1 TRP A 24 3.278 12.038 -8.392 1.00 0.00 H new ATOM 0 HE1 TRP A 24 1.181 10.776 -9.226 1.00 0.00 H new ATOM 0 HE3 TRP A 24 3.773 7.822 -5.559 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -0.061 8.298 -8.706 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 2.089 6.039 -5.780 1.00 0.00 H new ATOM 0 HH2 TRP A 24 0.197 6.277 -7.334 1.00 0.00 H new ATOM 422 N ARG A 25 7.847 11.241 -7.895 1.00 0.00 N ATOM 423 CA ARG A 25 8.560 11.956 -8.945 1.00 0.00 C ATOM 424 C ARG A 25 9.647 11.070 -9.542 1.00 0.00 C ATOM 425 O ARG A 25 10.499 11.529 -10.303 1.00 0.00 O ATOM 426 CB ARG A 25 9.153 13.260 -8.413 1.00 0.00 C ATOM 427 CG ARG A 25 8.099 14.278 -8.009 1.00 0.00 C ATOM 428 CD ARG A 25 8.691 15.670 -7.852 1.00 0.00 C ATOM 429 NE ARG A 25 9.615 15.768 -6.724 1.00 0.00 N ATOM 430 CZ ARG A 25 10.938 15.885 -6.854 1.00 0.00 C ATOM 431 NH1 ARG A 25 11.500 15.789 -8.053 1.00 0.00 N ATOM 432 NH2 ARG A 25 11.696 16.084 -5.785 1.00 0.00 N ATOM 0 H ARG A 25 8.325 11.226 -6.994 1.00 0.00 H new ATOM 0 HA ARG A 25 7.849 12.210 -9.732 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.784 13.040 -7.552 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.796 13.697 -9.177 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.309 14.301 -8.760 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.638 13.971 -7.070 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.214 15.943 -8.769 1.00 0.00 H new ATOM 0 HD3 ARG A 25 7.884 16.390 -7.718 1.00 0.00 H new ATOM 0 HE ARG A 25 9.226 15.746 -5.782 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.920 15.626 -8.876 1.00 0.00 H new ATOM 0 HH12 ARG A 25 12.511 15.879 -8.151 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.268 16.148 -4.861 1.00 0.00 H new ATOM 0 HH22 ARG A 25 12.707 16.173 -5.886 1.00 0.00 H new ATOM 446 N ASN A 26 9.602 9.798 -9.178 1.00 0.00 N ATOM 447 CA ASN A 26 10.460 8.783 -9.767 1.00 0.00 C ATOM 448 C ASN A 26 9.570 7.697 -10.354 1.00 0.00 C ATOM 449 O ASN A 26 9.219 6.729 -9.677 1.00 0.00 O ATOM 450 CB ASN A 26 11.409 8.198 -8.714 1.00 0.00 C ATOM 451 CG ASN A 26 12.366 7.169 -9.286 1.00 0.00 C ATOM 452 OD1 ASN A 26 12.773 7.255 -10.445 1.00 0.00 O ATOM 453 ND2 ASN A 26 12.720 6.182 -8.478 1.00 0.00 N ATOM 0 H ASN A 26 8.968 9.440 -8.464 1.00 0.00 H new ATOM 0 HA ASN A 26 11.077 9.223 -10.550 1.00 0.00 H new ATOM 0 HB2 ASN A 26 11.982 9.006 -8.260 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.822 7.738 -7.919 1.00 0.00 H new ATOM 0 HD21 ASN A 26 13.354 5.454 -8.809 1.00 0.00 H new ATOM 0 HD22 ASN A 26 12.359 6.149 -7.525 1.00 0.00 H new ATOM 460 N ASP A 27 9.176 7.885 -11.603 1.00 0.00 N ATOM 461 CA ASP A 27 8.106 7.092 -12.191 1.00 0.00 C ATOM 462 C ASP A 27 8.288 6.927 -13.694 1.00 0.00 C ATOM 463 O ASP A 27 8.574 7.893 -14.405 1.00 0.00 O ATOM 464 CB ASP A 27 6.760 7.767 -11.895 1.00 0.00 C ATOM 465 CG ASP A 27 5.622 7.226 -12.735 1.00 0.00 C ATOM 466 OD1 ASP A 27 5.093 6.146 -12.407 1.00 0.00 O ATOM 467 OD2 ASP A 27 5.244 7.892 -13.725 1.00 0.00 O ATOM 0 H ASP A 27 9.581 8.580 -12.230 1.00 0.00 H new ATOM 0 HA ASP A 27 8.132 6.097 -11.748 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.519 7.634 -10.840 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.853 8.839 -12.068 1.00 0.00 H new ATOM 472 N GLU A 28 8.125 5.698 -14.167 1.00 0.00 N ATOM 473 CA GLU A 28 8.170 5.404 -15.592 1.00 0.00 C ATOM 474 C GLU A 28 7.687 3.981 -15.852 1.00 0.00 C ATOM 475 O GLU A 28 8.453 3.026 -15.726 1.00 0.00 O ATOM 476 CB GLU A 28 9.584 5.579 -16.150 1.00 0.00 C ATOM 477 CG GLU A 28 9.641 5.538 -17.668 1.00 0.00 C ATOM 478 CD GLU A 28 11.046 5.681 -18.205 1.00 0.00 C ATOM 479 OE1 GLU A 28 11.742 6.640 -17.812 1.00 0.00 O ATOM 480 OE2 GLU A 28 11.464 4.831 -19.018 1.00 0.00 O ATOM 0 H GLU A 28 7.959 4.882 -13.577 1.00 0.00 H new ATOM 0 HA GLU A 28 7.511 6.109 -16.099 1.00 0.00 H new ATOM 0 HB2 GLU A 28 9.988 6.530 -15.804 1.00 0.00 H new ATOM 0 HB3 GLU A 28 10.225 4.795 -15.748 1.00 0.00 H new ATOM 0 HG2 GLU A 28 9.217 4.597 -18.018 1.00 0.00 H new ATOM 0 HG3 GLU A 28 9.019 6.337 -18.072 1.00 0.00 H new ATOM 487 N PRO A 29 6.394 3.820 -16.167 1.00 0.00 N ATOM 488 CA PRO A 29 5.830 2.523 -16.534 1.00 0.00 C ATOM 489 C PRO A 29 6.287 2.078 -17.921 1.00 0.00 C ATOM 490 O PRO A 29 5.986 2.724 -18.929 1.00 0.00 O ATOM 491 CB PRO A 29 4.321 2.769 -16.512 1.00 0.00 C ATOM 492 CG PRO A 29 4.171 4.225 -16.781 1.00 0.00 C ATOM 493 CD PRO A 29 5.374 4.886 -16.168 1.00 0.00 C ATOM 0 HA PRO A 29 6.147 1.728 -15.859 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.812 2.172 -17.268 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.890 2.498 -15.548 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.122 4.421 -17.852 1.00 0.00 H new ATOM 0 HG3 PRO A 29 3.249 4.610 -16.344 1.00 0.00 H new ATOM 0 HD2 PRO A 29 5.697 5.749 -16.750 1.00 0.00 H new ATOM 0 HD3 PRO A 29 5.165 5.242 -15.159 1.00 0.00 H new ATOM 501 N GLN A 30 7.029 0.988 -17.961 1.00 0.00 N ATOM 502 CA GLN A 30 7.551 0.458 -19.210 1.00 0.00 C ATOM 503 C GLN A 30 6.864 -0.858 -19.545 1.00 0.00 C ATOM 504 O GLN A 30 6.551 -1.642 -18.649 1.00 0.00 O ATOM 505 CB GLN A 30 9.060 0.230 -19.109 1.00 0.00 C ATOM 506 CG GLN A 30 9.843 1.444 -18.642 1.00 0.00 C ATOM 507 CD GLN A 30 11.333 1.178 -18.596 1.00 0.00 C ATOM 508 OE1 GLN A 30 11.767 0.044 -18.393 1.00 0.00 O ATOM 509 NE2 GLN A 30 12.126 2.218 -18.772 1.00 0.00 N ATOM 0 H GLN A 30 7.287 0.447 -17.136 1.00 0.00 H new ATOM 0 HA GLN A 30 7.354 1.184 -19.999 1.00 0.00 H new ATOM 0 HB2 GLN A 30 9.246 -0.595 -18.421 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.436 -0.077 -20.085 1.00 0.00 H new ATOM 0 HG2 GLN A 30 9.645 2.282 -19.311 1.00 0.00 H new ATOM 0 HG3 GLN A 30 9.497 1.739 -17.651 1.00 0.00 H new ATOM 0 HE21 GLN A 30 11.726 3.142 -18.938 1.00 0.00 H new ATOM 0 HE22 GLN A 30 13.138 2.098 -18.742 1.00 0.00 H new ATOM 518 N PRO A 31 6.616 -1.119 -20.835 1.00 0.00 N ATOM 519 CA PRO A 31 6.005 -2.375 -21.282 1.00 0.00 C ATOM 520 C PRO A 31 6.794 -3.597 -20.816 1.00 0.00 C ATOM 521 O PRO A 31 6.214 -4.621 -20.455 1.00 0.00 O ATOM 522 CB PRO A 31 6.036 -2.267 -22.809 1.00 0.00 C ATOM 523 CG PRO A 31 6.105 -0.806 -23.087 1.00 0.00 C ATOM 524 CD PRO A 31 6.895 -0.209 -21.960 1.00 0.00 C ATOM 0 HA PRO A 31 5.003 -2.508 -20.875 1.00 0.00 H new ATOM 0 HB2 PRO A 31 6.897 -2.790 -23.225 1.00 0.00 H new ATOM 0 HB3 PRO A 31 5.147 -2.713 -23.255 1.00 0.00 H new ATOM 0 HG2 PRO A 31 6.586 -0.613 -24.046 1.00 0.00 H new ATOM 0 HG3 PRO A 31 5.107 -0.371 -23.138 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.959 -0.169 -22.191 1.00 0.00 H new ATOM 0 HD3 PRO A 31 6.578 0.811 -21.742 1.00 0.00 H new ATOM 532 N HIS A 32 8.120 -3.468 -20.797 1.00 0.00 N ATOM 533 CA HIS A 32 9.004 -4.563 -20.399 1.00 0.00 C ATOM 534 C HIS A 32 8.743 -4.982 -18.953 1.00 0.00 C ATOM 535 O HIS A 32 8.825 -6.162 -18.617 1.00 0.00 O ATOM 536 CB HIS A 32 10.470 -4.137 -20.567 1.00 0.00 C ATOM 537 CG HIS A 32 11.473 -5.230 -20.320 1.00 0.00 C ATOM 538 ND1 HIS A 32 12.087 -5.926 -21.337 1.00 0.00 N ATOM 539 CD2 HIS A 32 11.986 -5.728 -19.167 1.00 0.00 C ATOM 540 CE1 HIS A 32 12.927 -6.804 -20.824 1.00 0.00 C ATOM 541 NE2 HIS A 32 12.886 -6.705 -19.510 1.00 0.00 N ATOM 0 H HIS A 32 8.608 -2.610 -21.054 1.00 0.00 H new ATOM 0 HA HIS A 32 8.800 -5.419 -21.042 1.00 0.00 H new ATOM 0 HB2 HIS A 32 10.610 -3.756 -21.578 1.00 0.00 H new ATOM 0 HB3 HIS A 32 10.675 -3.313 -19.884 1.00 0.00 H new ATOM 0 HD2 HIS A 32 11.733 -5.414 -18.165 1.00 0.00 H new ATOM 0 HE1 HIS A 32 13.545 -7.489 -21.386 1.00 0.00 H new ATOM 0 HE2 HIS A 32 13.434 -7.263 -18.855 1.00 0.00 H new ATOM 550 N GLN A 33 8.407 -4.011 -18.113 1.00 0.00 N ATOM 551 CA GLN A 33 8.230 -4.247 -16.682 1.00 0.00 C ATOM 552 C GLN A 33 7.094 -5.224 -16.424 1.00 0.00 C ATOM 553 O GLN A 33 7.261 -6.235 -15.740 1.00 0.00 O ATOM 554 CB GLN A 33 7.927 -2.930 -15.969 1.00 0.00 C ATOM 555 CG GLN A 33 8.989 -1.866 -16.173 1.00 0.00 C ATOM 556 CD GLN A 33 8.589 -0.527 -15.588 1.00 0.00 C ATOM 557 OE1 GLN A 33 7.407 -0.189 -15.527 1.00 0.00 O ATOM 558 NE2 GLN A 33 9.570 0.250 -15.167 1.00 0.00 N ATOM 0 H GLN A 33 8.250 -3.045 -18.399 1.00 0.00 H new ATOM 0 HA GLN A 33 9.156 -4.675 -16.297 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.970 -2.548 -16.323 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.818 -3.122 -14.902 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.921 -2.195 -15.714 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.182 -1.750 -17.239 1.00 0.00 H new ATOM 0 HE21 GLN A 33 10.537 -0.067 -15.235 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.361 1.168 -14.774 1.00 0.00 H new ATOM 567 N PHE A 34 5.944 -4.929 -17.008 1.00 0.00 N ATOM 568 CA PHE A 34 4.731 -5.678 -16.731 1.00 0.00 C ATOM 569 C PHE A 34 4.762 -7.056 -17.381 1.00 0.00 C ATOM 570 O PHE A 34 3.915 -7.897 -17.096 1.00 0.00 O ATOM 571 CB PHE A 34 3.512 -4.889 -17.203 1.00 0.00 C ATOM 572 CG PHE A 34 3.462 -3.498 -16.635 1.00 0.00 C ATOM 573 CD1 PHE A 34 3.238 -3.296 -15.282 1.00 0.00 C ATOM 574 CD2 PHE A 34 3.647 -2.394 -17.452 1.00 0.00 C ATOM 575 CE1 PHE A 34 3.201 -2.019 -14.756 1.00 0.00 C ATOM 576 CE2 PHE A 34 3.609 -1.115 -16.931 1.00 0.00 C ATOM 577 CZ PHE A 34 3.386 -0.928 -15.582 1.00 0.00 C ATOM 0 H PHE A 34 5.826 -4.171 -17.681 1.00 0.00 H new ATOM 0 HA PHE A 34 4.664 -5.827 -15.653 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.521 -4.832 -18.291 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.606 -5.425 -16.920 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.091 -4.146 -14.632 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.823 -2.535 -18.508 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.028 -1.874 -13.700 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.754 -0.263 -17.578 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.356 0.071 -15.173 1.00 0.00 H new ATOM 587 N ASN A 35 5.749 -7.291 -18.241 1.00 0.00 N ATOM 588 CA ASN A 35 5.893 -8.590 -18.892 1.00 0.00 C ATOM 589 C ASN A 35 6.519 -9.605 -17.945 1.00 0.00 C ATOM 590 O ASN A 35 6.380 -10.812 -18.142 1.00 0.00 O ATOM 591 CB ASN A 35 6.714 -8.479 -20.185 1.00 0.00 C ATOM 592 CG ASN A 35 5.965 -7.756 -21.291 1.00 0.00 C ATOM 593 OD1 ASN A 35 4.734 -7.790 -21.351 1.00 0.00 O ATOM 594 ND2 ASN A 35 6.698 -7.108 -22.183 1.00 0.00 N ATOM 0 H ASN A 35 6.457 -6.604 -18.502 1.00 0.00 H new ATOM 0 HA ASN A 35 4.895 -8.938 -19.158 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.645 -7.951 -19.976 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.984 -9.478 -20.527 1.00 0.00 H new ATOM 0 HD21 ASN A 35 6.246 -6.614 -22.953 1.00 0.00 H new ATOM 0 HD22 ASN A 35 7.715 -7.102 -22.100 1.00 0.00 H new ATOM 601 N SER A 36 7.206 -9.122 -16.918 1.00 0.00 N ATOM 602 CA SER A 36 7.677 -9.999 -15.860 1.00 0.00 C ATOM 603 C SER A 36 6.473 -10.551 -15.109 1.00 0.00 C ATOM 604 O SER A 36 6.404 -11.741 -14.807 1.00 0.00 O ATOM 605 CB SER A 36 8.612 -9.249 -14.911 1.00 0.00 C ATOM 606 OG SER A 36 9.751 -8.761 -15.599 1.00 0.00 O ATOM 0 H SER A 36 7.446 -8.138 -16.797 1.00 0.00 H new ATOM 0 HA SER A 36 8.244 -10.823 -16.294 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.078 -8.418 -14.450 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.926 -9.912 -14.105 1.00 0.00 H new ATOM 0 HG SER A 36 10.559 -8.975 -15.087 1.00 0.00 H new ATOM 612 N THR A 37 5.525 -9.659 -14.821 1.00 0.00 N ATOM 613 CA THR A 37 4.224 -10.032 -14.260 1.00 0.00 C ATOM 614 C THR A 37 4.360 -10.734 -12.896 1.00 0.00 C ATOM 615 O THR A 37 3.404 -11.314 -12.378 1.00 0.00 O ATOM 616 CB THR A 37 3.453 -10.940 -15.251 1.00 0.00 C ATOM 617 OG1 THR A 37 3.600 -10.446 -16.588 1.00 0.00 O ATOM 618 CG2 THR A 37 1.968 -11.005 -14.915 1.00 0.00 C ATOM 0 H THR A 37 5.637 -8.656 -14.970 1.00 0.00 H new ATOM 0 HA THR A 37 3.664 -9.111 -14.100 1.00 0.00 H new ATOM 0 HB THR A 37 3.875 -11.942 -15.169 1.00 0.00 H new ATOM 0 HG1 THR A 37 3.704 -9.472 -16.567 1.00 0.00 H new ATOM 0 HG21 THR A 37 1.461 -11.651 -15.632 1.00 0.00 H new ATOM 0 HG22 THR A 37 1.840 -11.407 -13.910 1.00 0.00 H new ATOM 0 HG23 THR A 37 1.540 -10.004 -14.963 1.00 0.00 H new ATOM 626 N GLN A 38 5.543 -10.658 -12.302 1.00 0.00 N ATOM 627 CA GLN A 38 5.782 -11.298 -11.020 1.00 0.00 C ATOM 628 C GLN A 38 5.475 -10.315 -9.899 1.00 0.00 C ATOM 629 O GLN A 38 5.786 -9.127 -10.016 1.00 0.00 O ATOM 630 CB GLN A 38 7.234 -11.778 -10.920 1.00 0.00 C ATOM 631 CG GLN A 38 7.446 -12.855 -9.866 1.00 0.00 C ATOM 632 CD GLN A 38 8.898 -13.256 -9.714 1.00 0.00 C ATOM 633 OE1 GLN A 38 9.391 -14.130 -10.424 1.00 0.00 O ATOM 634 NE2 GLN A 38 9.589 -12.639 -8.772 1.00 0.00 N ATOM 0 H GLN A 38 6.347 -10.162 -12.686 1.00 0.00 H new ATOM 0 HA GLN A 38 5.129 -12.166 -10.929 1.00 0.00 H new ATOM 0 HB2 GLN A 38 7.549 -12.163 -11.890 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.875 -10.926 -10.692 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.072 -12.496 -8.907 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.858 -13.734 -10.129 1.00 0.00 H new ATOM 0 HE21 GLN A 38 9.145 -11.919 -8.203 1.00 0.00 H new ATOM 0 HE22 GLN A 38 10.567 -12.883 -8.614 1.00 0.00 H new ATOM 643 N PRO A 39 4.847 -10.786 -8.810 1.00 0.00 N ATOM 644 CA PRO A 39 4.519 -9.940 -7.661 1.00 0.00 C ATOM 645 C PRO A 39 5.736 -9.176 -7.154 1.00 0.00 C ATOM 646 O PRO A 39 6.848 -9.708 -7.137 1.00 0.00 O ATOM 647 CB PRO A 39 4.034 -10.937 -6.607 1.00 0.00 C ATOM 648 CG PRO A 39 3.529 -12.096 -7.391 1.00 0.00 C ATOM 649 CD PRO A 39 4.409 -12.180 -8.607 1.00 0.00 C ATOM 0 HA PRO A 39 3.780 -9.178 -7.909 1.00 0.00 H new ATOM 0 HB2 PRO A 39 4.843 -11.233 -5.939 1.00 0.00 H new ATOM 0 HB3 PRO A 39 3.249 -10.506 -5.986 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.579 -13.015 -6.807 1.00 0.00 H new ATOM 0 HG3 PRO A 39 2.486 -11.954 -7.672 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.255 -12.847 -8.445 1.00 0.00 H new ATOM 0 HD3 PRO A 39 3.864 -12.560 -9.471 1.00 0.00 H new ATOM 657 N PHE A 40 5.512 -7.914 -6.786 1.00 0.00 N ATOM 658 CA PHE A 40 6.553 -7.033 -6.242 1.00 0.00 C ATOM 659 C PHE A 40 7.540 -6.567 -7.315 1.00 0.00 C ATOM 660 O PHE A 40 8.281 -5.612 -7.089 1.00 0.00 O ATOM 661 CB PHE A 40 7.315 -7.703 -5.091 1.00 0.00 C ATOM 662 CG PHE A 40 6.439 -8.122 -3.944 1.00 0.00 C ATOM 663 CD1 PHE A 40 5.962 -7.187 -3.039 1.00 0.00 C ATOM 664 CD2 PHE A 40 6.099 -9.453 -3.767 1.00 0.00 C ATOM 665 CE1 PHE A 40 5.163 -7.575 -1.982 1.00 0.00 C ATOM 666 CE2 PHE A 40 5.301 -9.846 -2.713 1.00 0.00 C ATOM 667 CZ PHE A 40 4.833 -8.906 -1.819 1.00 0.00 C ATOM 0 H PHE A 40 4.597 -7.469 -6.857 1.00 0.00 H new ATOM 0 HA PHE A 40 6.034 -6.155 -5.857 1.00 0.00 H new ATOM 0 HB2 PHE A 40 7.837 -8.579 -5.475 1.00 0.00 H new ATOM 0 HB3 PHE A 40 8.075 -7.015 -4.722 1.00 0.00 H new ATOM 0 HD1 PHE A 40 6.218 -6.145 -3.162 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.464 -10.193 -4.464 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.796 -6.838 -1.283 1.00 0.00 H new ATOM 0 HE2 PHE A 40 5.043 -10.887 -2.588 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.209 -9.211 -0.992 1.00 0.00 H new ATOM 677 N PHE A 41 7.525 -7.224 -8.481 1.00 0.00 N ATOM 678 CA PHE A 41 8.480 -6.943 -9.555 1.00 0.00 C ATOM 679 C PHE A 41 9.907 -7.028 -9.024 1.00 0.00 C ATOM 680 O PHE A 41 10.559 -6.021 -8.753 1.00 0.00 O ATOM 681 CB PHE A 41 8.207 -5.579 -10.198 1.00 0.00 C ATOM 682 CG PHE A 41 6.896 -5.518 -10.933 1.00 0.00 C ATOM 683 CD1 PHE A 41 6.812 -5.890 -12.267 1.00 0.00 C ATOM 684 CD2 PHE A 41 5.748 -5.095 -10.288 1.00 0.00 C ATOM 685 CE1 PHE A 41 5.605 -5.838 -12.940 1.00 0.00 C ATOM 686 CE2 PHE A 41 4.541 -5.041 -10.954 1.00 0.00 C ATOM 687 CZ PHE A 41 4.469 -5.414 -12.282 1.00 0.00 C ATOM 0 H PHE A 41 6.855 -7.960 -8.704 1.00 0.00 H new ATOM 0 HA PHE A 41 8.356 -7.697 -10.332 1.00 0.00 H new ATOM 0 HB2 PHE A 41 8.217 -4.812 -9.424 1.00 0.00 H new ATOM 0 HB3 PHE A 41 9.015 -5.344 -10.891 1.00 0.00 H new ATOM 0 HD1 PHE A 41 7.699 -6.224 -12.785 1.00 0.00 H new ATOM 0 HD2 PHE A 41 5.797 -4.803 -9.249 1.00 0.00 H new ATOM 0 HE1 PHE A 41 5.552 -6.129 -13.979 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.653 -4.707 -10.437 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.525 -5.374 -12.805 1.00 0.00 H new ATOM 697 N MET A 42 10.374 -8.255 -8.864 1.00 0.00 N ATOM 698 CA MET A 42 11.629 -8.512 -8.174 1.00 0.00 C ATOM 699 C MET A 42 12.806 -8.543 -9.145 1.00 0.00 C ATOM 700 O MET A 42 13.962 -8.485 -8.733 1.00 0.00 O ATOM 701 CB MET A 42 11.539 -9.846 -7.424 1.00 0.00 C ATOM 702 CG MET A 42 10.270 -9.997 -6.597 1.00 0.00 C ATOM 703 SD MET A 42 10.115 -11.633 -5.852 1.00 0.00 S ATOM 704 CE MET A 42 8.471 -11.541 -5.139 1.00 0.00 C ATOM 0 H MET A 42 9.901 -9.093 -9.204 1.00 0.00 H new ATOM 0 HA MET A 42 11.800 -7.700 -7.467 1.00 0.00 H new ATOM 0 HB2 MET A 42 11.592 -10.662 -8.144 1.00 0.00 H new ATOM 0 HB3 MET A 42 12.404 -9.943 -6.768 1.00 0.00 H new ATOM 0 HG2 MET A 42 10.262 -9.242 -5.811 1.00 0.00 H new ATOM 0 HG3 MET A 42 9.404 -9.807 -7.231 1.00 0.00 H new ATOM 0 HE1 MET A 42 8.330 -12.367 -4.442 1.00 0.00 H new ATOM 0 HE2 MET A 42 8.357 -10.596 -4.609 1.00 0.00 H new ATOM 0 HE3 MET A 42 7.726 -11.604 -5.932 1.00 0.00 H new ATOM 714 N ASP A 43 12.510 -8.622 -10.437 1.00 0.00 N ATOM 715 CA ASP A 43 13.555 -8.763 -11.450 1.00 0.00 C ATOM 716 C ASP A 43 13.659 -7.528 -12.334 1.00 0.00 C ATOM 717 O ASP A 43 14.534 -7.451 -13.195 1.00 0.00 O ATOM 718 CB ASP A 43 13.286 -9.986 -12.331 1.00 0.00 C ATOM 719 CG ASP A 43 12.015 -9.852 -13.150 1.00 0.00 C ATOM 720 OD1 ASP A 43 10.921 -10.100 -12.595 1.00 0.00 O ATOM 721 OD2 ASP A 43 12.103 -9.511 -14.352 1.00 0.00 O ATOM 0 H ASP A 43 11.561 -8.591 -10.809 1.00 0.00 H new ATOM 0 HA ASP A 43 14.498 -8.888 -10.918 1.00 0.00 H new ATOM 0 HB2 ASP A 43 14.131 -10.138 -13.002 1.00 0.00 H new ATOM 0 HB3 ASP A 43 13.216 -10.873 -11.702 1.00 0.00 H new ATOM 726 N THR A 44 12.785 -6.561 -12.119 1.00 0.00 N ATOM 727 CA THR A 44 12.726 -5.392 -12.982 1.00 0.00 C ATOM 728 C THR A 44 13.682 -4.288 -12.512 1.00 0.00 C ATOM 729 O THR A 44 14.778 -4.134 -13.059 1.00 0.00 O ATOM 730 CB THR A 44 11.287 -4.863 -13.072 1.00 0.00 C ATOM 731 OG1 THR A 44 10.745 -4.707 -11.758 1.00 0.00 O ATOM 732 CG2 THR A 44 10.413 -5.816 -13.877 1.00 0.00 C ATOM 0 H THR A 44 12.107 -6.561 -11.357 1.00 0.00 H new ATOM 0 HA THR A 44 13.049 -5.700 -13.977 1.00 0.00 H new ATOM 0 HB THR A 44 11.305 -3.897 -13.576 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.927 -4.169 -11.803 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.398 -5.423 -13.929 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.816 -5.915 -14.885 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.399 -6.793 -13.394 1.00 0.00 H new ATOM 740 N MET A 45 13.279 -3.529 -11.499 1.00 0.00 N ATOM 741 CA MET A 45 14.138 -2.491 -10.933 1.00 0.00 C ATOM 742 C MET A 45 14.197 -2.619 -9.417 1.00 0.00 C ATOM 743 O MET A 45 15.117 -3.227 -8.868 1.00 0.00 O ATOM 744 CB MET A 45 13.650 -1.087 -11.315 1.00 0.00 C ATOM 745 CG MET A 45 13.778 -0.766 -12.795 1.00 0.00 C ATOM 746 SD MET A 45 13.430 0.968 -13.167 1.00 0.00 S ATOM 747 CE MET A 45 11.753 1.134 -12.557 1.00 0.00 C ATOM 0 H MET A 45 12.366 -3.611 -11.053 1.00 0.00 H new ATOM 0 HA MET A 45 15.137 -2.630 -11.347 1.00 0.00 H new ATOM 0 HB2 MET A 45 12.605 -0.985 -11.021 1.00 0.00 H new ATOM 0 HB3 MET A 45 14.215 -0.350 -10.744 1.00 0.00 H new ATOM 0 HG2 MET A 45 14.787 -1.009 -13.129 1.00 0.00 H new ATOM 0 HG3 MET A 45 13.094 -1.399 -13.360 1.00 0.00 H new ATOM 0 HE1 MET A 45 11.381 2.133 -12.784 1.00 0.00 H new ATOM 0 HE2 MET A 45 11.116 0.391 -13.037 1.00 0.00 H new ATOM 0 HE3 MET A 45 11.741 0.979 -11.478 1.00 0.00 H new ATOM 757 N GLU A 46 13.209 -2.044 -8.748 1.00 0.00 N ATOM 758 CA GLU A 46 13.084 -2.172 -7.306 1.00 0.00 C ATOM 759 C GLU A 46 11.751 -2.817 -6.979 1.00 0.00 C ATOM 760 O GLU A 46 10.791 -2.668 -7.729 1.00 0.00 O ATOM 761 CB GLU A 46 13.151 -0.812 -6.594 1.00 0.00 C ATOM 762 CG GLU A 46 14.425 -0.020 -6.830 1.00 0.00 C ATOM 763 CD GLU A 46 14.375 0.818 -8.087 1.00 0.00 C ATOM 764 OE1 GLU A 46 13.501 1.706 -8.181 1.00 0.00 O ATOM 765 OE2 GLU A 46 15.221 0.606 -8.978 1.00 0.00 O ATOM 0 H GLU A 46 12.479 -1.481 -9.185 1.00 0.00 H new ATOM 0 HA GLU A 46 13.918 -2.782 -6.957 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.302 -0.209 -6.917 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.037 -0.975 -5.522 1.00 0.00 H new ATOM 0 HG2 GLU A 46 14.606 0.630 -5.974 1.00 0.00 H new ATOM 0 HG3 GLU A 46 15.268 -0.708 -6.892 1.00 0.00 H new ATOM 772 N PRO A 47 11.662 -3.528 -5.850 1.00 0.00 N ATOM 773 CA PRO A 47 10.395 -4.098 -5.373 1.00 0.00 C ATOM 774 C PRO A 47 9.368 -3.009 -5.053 1.00 0.00 C ATOM 775 O PRO A 47 8.200 -3.292 -4.791 1.00 0.00 O ATOM 776 CB PRO A 47 10.795 -4.855 -4.102 1.00 0.00 C ATOM 777 CG PRO A 47 12.266 -5.069 -4.232 1.00 0.00 C ATOM 778 CD PRO A 47 12.784 -3.870 -4.966 1.00 0.00 C ATOM 0 HA PRO A 47 9.920 -4.733 -6.121 1.00 0.00 H new ATOM 0 HB2 PRO A 47 10.557 -4.280 -3.207 1.00 0.00 H new ATOM 0 HB3 PRO A 47 10.263 -5.803 -4.022 1.00 0.00 H new ATOM 0 HG2 PRO A 47 12.736 -5.163 -3.253 1.00 0.00 H new ATOM 0 HG3 PRO A 47 12.482 -5.987 -4.779 1.00 0.00 H new ATOM 0 HD2 PRO A 47 13.029 -3.053 -4.287 1.00 0.00 H new ATOM 0 HD3 PRO A 47 13.689 -4.099 -5.529 1.00 0.00 H new ATOM 786 N LEU A 48 9.826 -1.761 -5.079 1.00 0.00 N ATOM 787 CA LEU A 48 8.961 -0.606 -4.874 1.00 0.00 C ATOM 788 C LEU A 48 8.158 -0.309 -6.135 1.00 0.00 C ATOM 789 O LEU A 48 7.183 0.436 -6.098 1.00 0.00 O ATOM 790 CB LEU A 48 9.797 0.620 -4.509 1.00 0.00 C ATOM 791 CG LEU A 48 10.541 0.536 -3.177 1.00 0.00 C ATOM 792 CD1 LEU A 48 11.484 1.717 -3.025 1.00 0.00 C ATOM 793 CD2 LEU A 48 9.555 0.496 -2.019 1.00 0.00 C ATOM 0 H LEU A 48 10.804 -1.523 -5.242 1.00 0.00 H new ATOM 0 HA LEU A 48 8.275 -0.835 -4.059 1.00 0.00 H new ATOM 0 HB2 LEU A 48 10.525 0.791 -5.302 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.142 1.491 -4.485 1.00 0.00 H new ATOM 0 HG LEU A 48 11.127 -0.383 -3.165 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.007 1.644 -2.072 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.209 1.711 -3.839 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.913 2.645 -3.056 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.101 0.436 -1.078 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.946 1.400 -2.028 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.910 -0.377 -2.120 1.00 0.00 H new ATOM 805 N GLU A 49 8.584 -0.899 -7.244 1.00 0.00 N ATOM 806 CA GLU A 49 7.947 -0.698 -8.542 1.00 0.00 C ATOM 807 C GLU A 49 6.486 -1.137 -8.493 1.00 0.00 C ATOM 808 O GLU A 49 5.595 -0.457 -9.005 1.00 0.00 O ATOM 809 CB GLU A 49 8.721 -1.496 -9.589 1.00 0.00 C ATOM 810 CG GLU A 49 8.321 -1.237 -11.027 1.00 0.00 C ATOM 811 CD GLU A 49 9.289 -1.896 -11.984 1.00 0.00 C ATOM 812 OE1 GLU A 49 10.466 -1.481 -12.017 1.00 0.00 O ATOM 813 OE2 GLU A 49 8.897 -2.852 -12.676 1.00 0.00 O ATOM 0 H GLU A 49 9.383 -1.532 -7.270 1.00 0.00 H new ATOM 0 HA GLU A 49 7.963 0.360 -8.805 1.00 0.00 H new ATOM 0 HB2 GLU A 49 9.783 -1.274 -9.479 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.594 -2.558 -9.379 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.315 -1.617 -11.203 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.294 -0.163 -11.213 1.00 0.00 H new ATOM 820 N TRP A 50 6.259 -2.271 -7.846 1.00 0.00 N ATOM 821 CA TRP A 50 4.919 -2.806 -7.643 1.00 0.00 C ATOM 822 C TRP A 50 4.058 -1.827 -6.846 1.00 0.00 C ATOM 823 O TRP A 50 2.890 -1.611 -7.160 1.00 0.00 O ATOM 824 CB TRP A 50 5.034 -4.145 -6.913 1.00 0.00 C ATOM 825 CG TRP A 50 3.734 -4.828 -6.622 1.00 0.00 C ATOM 826 CD1 TRP A 50 2.890 -5.418 -7.519 1.00 0.00 C ATOM 827 CD2 TRP A 50 3.153 -5.027 -5.331 1.00 0.00 C ATOM 828 NE1 TRP A 50 1.812 -5.960 -6.861 1.00 0.00 N ATOM 829 CE2 TRP A 50 1.952 -5.732 -5.518 1.00 0.00 C ATOM 830 CE3 TRP A 50 3.532 -4.671 -4.035 1.00 0.00 C ATOM 831 CZ2 TRP A 50 1.129 -6.092 -4.457 1.00 0.00 C ATOM 832 CZ3 TRP A 50 2.713 -5.027 -2.983 1.00 0.00 C ATOM 833 CH2 TRP A 50 1.524 -5.732 -3.199 1.00 0.00 C ATOM 0 H TRP A 50 6.999 -2.847 -7.446 1.00 0.00 H new ATOM 0 HA TRP A 50 4.435 -2.955 -8.608 1.00 0.00 H new ATOM 0 HB2 TRP A 50 5.651 -4.815 -7.512 1.00 0.00 H new ATOM 0 HB3 TRP A 50 5.559 -3.983 -5.972 1.00 0.00 H new ATOM 0 HD1 TRP A 50 3.046 -5.453 -8.587 1.00 0.00 H new ATOM 0 HE1 TRP A 50 1.034 -6.452 -7.301 1.00 0.00 H new ATOM 0 HE3 TRP A 50 4.449 -4.127 -3.859 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 0.211 -6.636 -4.621 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 2.995 -4.757 -1.976 1.00 0.00 H new ATOM 0 HH2 TRP A 50 0.906 -5.997 -2.354 1.00 0.00 H new ATOM 844 N LEU A 51 4.655 -1.225 -5.827 1.00 0.00 N ATOM 845 CA LEU A 51 3.966 -0.251 -4.988 1.00 0.00 C ATOM 846 C LEU A 51 3.690 1.035 -5.764 1.00 0.00 C ATOM 847 O LEU A 51 2.622 1.634 -5.637 1.00 0.00 O ATOM 848 CB LEU A 51 4.822 0.057 -3.753 1.00 0.00 C ATOM 849 CG LEU A 51 4.264 1.124 -2.811 1.00 0.00 C ATOM 850 CD1 LEU A 51 2.941 0.674 -2.221 1.00 0.00 C ATOM 851 CD2 LEU A 51 5.265 1.430 -1.707 1.00 0.00 C ATOM 0 H LEU A 51 5.624 -1.395 -5.559 1.00 0.00 H new ATOM 0 HA LEU A 51 3.011 -0.673 -4.675 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.958 -0.865 -3.188 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.810 0.374 -4.088 1.00 0.00 H new ATOM 0 HG LEU A 51 4.091 2.035 -3.383 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.559 1.446 -1.553 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.224 0.502 -3.024 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.088 -0.250 -1.661 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.854 2.191 -1.044 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.467 0.523 -1.137 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.193 1.795 -2.148 1.00 0.00 H new ATOM 863 N GLN A 52 4.660 1.429 -6.578 1.00 0.00 N ATOM 864 CA GLN A 52 4.616 2.689 -7.312 1.00 0.00 C ATOM 865 C GLN A 52 3.428 2.762 -8.272 1.00 0.00 C ATOM 866 O GLN A 52 2.632 3.699 -8.219 1.00 0.00 O ATOM 867 CB GLN A 52 5.924 2.865 -8.092 1.00 0.00 C ATOM 868 CG GLN A 52 6.023 4.172 -8.863 1.00 0.00 C ATOM 869 CD GLN A 52 6.094 5.389 -7.960 1.00 0.00 C ATOM 870 OE1 GLN A 52 6.606 5.324 -6.839 1.00 0.00 O ATOM 871 NE2 GLN A 52 5.591 6.511 -8.447 1.00 0.00 N ATOM 0 H GLN A 52 5.504 0.882 -6.749 1.00 0.00 H new ATOM 0 HA GLN A 52 4.494 3.493 -6.586 1.00 0.00 H new ATOM 0 HB2 GLN A 52 6.760 2.804 -7.395 1.00 0.00 H new ATOM 0 HB3 GLN A 52 6.031 2.036 -8.791 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.908 4.146 -9.499 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.160 4.265 -9.522 1.00 0.00 H new ATOM 0 HE21 GLN A 52 5.176 6.522 -9.379 1.00 0.00 H new ATOM 0 HE22 GLN A 52 5.618 7.366 -7.891 1.00 0.00 H new ATOM 880 N TRP A 53 3.304 1.777 -9.151 1.00 0.00 N ATOM 881 CA TRP A 53 2.330 1.872 -10.232 1.00 0.00 C ATOM 882 C TRP A 53 1.159 0.907 -10.047 1.00 0.00 C ATOM 883 O TRP A 53 0.056 1.167 -10.522 1.00 0.00 O ATOM 884 CB TRP A 53 3.020 1.600 -11.577 1.00 0.00 C ATOM 885 CG TRP A 53 2.265 2.125 -12.765 1.00 0.00 C ATOM 886 CD1 TRP A 53 2.400 3.358 -13.332 1.00 0.00 C ATOM 887 CD2 TRP A 53 1.264 1.438 -13.532 1.00 0.00 C ATOM 888 NE1 TRP A 53 1.545 3.484 -14.400 1.00 0.00 N ATOM 889 CE2 TRP A 53 0.838 2.320 -14.544 1.00 0.00 C ATOM 890 CE3 TRP A 53 0.686 0.166 -13.462 1.00 0.00 C ATOM 891 CZ2 TRP A 53 -0.136 1.970 -15.475 1.00 0.00 C ATOM 892 CZ3 TRP A 53 -0.280 -0.179 -14.388 1.00 0.00 C ATOM 893 CH2 TRP A 53 -0.683 0.720 -15.383 1.00 0.00 C ATOM 0 H TRP A 53 3.854 0.918 -9.140 1.00 0.00 H new ATOM 0 HA TRP A 53 1.923 2.883 -10.217 1.00 0.00 H new ATOM 0 HB2 TRP A 53 4.013 2.049 -11.562 1.00 0.00 H new ATOM 0 HB3 TRP A 53 3.158 0.525 -11.693 1.00 0.00 H new ATOM 0 HD1 TRP A 53 3.080 4.124 -12.991 1.00 0.00 H new ATOM 0 HE1 TRP A 53 1.452 4.311 -14.990 1.00 0.00 H new ATOM 0 HE3 TRP A 53 0.989 -0.534 -12.698 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -0.449 2.662 -16.243 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -0.732 -1.159 -14.343 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -1.441 0.420 -16.092 1.00 0.00 H new ATOM 904 N VAL A 54 1.383 -0.198 -9.351 1.00 0.00 N ATOM 905 CA VAL A 54 0.400 -1.275 -9.340 1.00 0.00 C ATOM 906 C VAL A 54 -0.448 -1.306 -8.067 1.00 0.00 C ATOM 907 O VAL A 54 -1.659 -1.115 -8.134 1.00 0.00 O ATOM 908 CB VAL A 54 1.075 -2.648 -9.546 1.00 0.00 C ATOM 909 CG1 VAL A 54 0.040 -3.764 -9.588 1.00 0.00 C ATOM 910 CG2 VAL A 54 1.906 -2.643 -10.821 1.00 0.00 C ATOM 0 H VAL A 54 2.220 -0.373 -8.795 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.272 -1.069 -10.173 1.00 0.00 H new ATOM 0 HB VAL A 54 1.736 -2.833 -8.699 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.542 -4.720 -9.734 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.512 -3.784 -8.648 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.652 -3.588 -10.412 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.376 -3.618 -10.953 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.262 -2.432 -11.674 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.677 -1.875 -10.750 1.00 0.00 H new ATOM 920 N LEU A 55 0.192 -1.534 -6.920 1.00 0.00 N ATOM 921 CA LEU A 55 -0.517 -1.831 -5.667 1.00 0.00 C ATOM 922 C LEU A 55 -1.648 -0.847 -5.361 1.00 0.00 C ATOM 923 O LEU A 55 -2.802 -1.255 -5.224 1.00 0.00 O ATOM 924 CB LEU A 55 0.460 -1.864 -4.486 1.00 0.00 C ATOM 925 CG LEU A 55 -0.188 -2.125 -3.120 1.00 0.00 C ATOM 926 CD1 LEU A 55 -0.954 -3.437 -3.129 1.00 0.00 C ATOM 927 CD2 LEU A 55 0.859 -2.131 -2.019 1.00 0.00 C ATOM 0 H LEU A 55 1.208 -1.519 -6.829 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.970 -2.812 -5.808 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.206 -2.637 -4.672 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.990 -0.912 -4.445 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.892 -1.317 -2.921 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.405 -3.602 -2.150 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.736 -3.396 -3.887 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.271 -4.256 -3.356 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.377 -2.318 -1.059 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.590 -2.915 -2.216 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.362 -1.165 -1.990 1.00 0.00 H new ATOM 939 N ILE A 56 -1.316 0.433 -5.253 1.00 0.00 N ATOM 940 CA ILE A 56 -2.284 1.444 -4.824 1.00 0.00 C ATOM 941 C ILE A 56 -3.542 1.465 -5.711 1.00 0.00 C ATOM 942 O ILE A 56 -4.646 1.216 -5.217 1.00 0.00 O ATOM 943 CB ILE A 56 -1.654 2.855 -4.765 1.00 0.00 C ATOM 944 CG1 ILE A 56 -0.454 2.855 -3.814 1.00 0.00 C ATOM 945 CG2 ILE A 56 -2.685 3.885 -4.321 1.00 0.00 C ATOM 946 CD1 ILE A 56 0.233 4.198 -3.703 1.00 0.00 C ATOM 0 H ILE A 56 -0.386 0.799 -5.455 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.589 1.159 -3.817 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.311 3.125 -5.764 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.786 2.544 -2.824 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.269 2.114 -4.155 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.222 4.871 -4.286 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.514 3.898 -5.029 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.057 3.623 -3.331 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.073 4.121 -3.013 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.597 4.503 -4.684 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.475 4.939 -3.332 1.00 0.00 H new ATOM 958 N PRO A 57 -3.415 1.746 -7.025 1.00 0.00 N ATOM 959 CA PRO A 57 -4.576 1.799 -7.918 1.00 0.00 C ATOM 960 C PRO A 57 -5.264 0.444 -8.089 1.00 0.00 C ATOM 961 O PRO A 57 -6.474 0.385 -8.296 1.00 0.00 O ATOM 962 CB PRO A 57 -3.997 2.279 -9.249 1.00 0.00 C ATOM 963 CG PRO A 57 -2.548 1.954 -9.184 1.00 0.00 C ATOM 964 CD PRO A 57 -2.159 2.054 -7.738 1.00 0.00 C ATOM 0 HA PRO A 57 -5.351 2.453 -7.517 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -4.476 1.778 -10.090 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -4.155 3.349 -9.384 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.356 0.953 -9.570 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.966 2.647 -9.792 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.369 1.347 -7.484 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -1.789 3.049 -7.489 1.00 0.00 H new ATOM 972 N ARG A 58 -4.501 -0.639 -7.986 1.00 0.00 N ATOM 973 CA ARG A 58 -5.059 -1.978 -8.154 1.00 0.00 C ATOM 974 C ARG A 58 -5.951 -2.339 -6.970 1.00 0.00 C ATOM 975 O ARG A 58 -6.998 -2.967 -7.132 1.00 0.00 O ATOM 976 CB ARG A 58 -3.946 -3.014 -8.298 1.00 0.00 C ATOM 977 CG ARG A 58 -4.436 -4.368 -8.777 1.00 0.00 C ATOM 978 CD ARG A 58 -3.307 -5.382 -8.833 1.00 0.00 C ATOM 979 NE ARG A 58 -3.711 -6.609 -9.515 1.00 0.00 N ATOM 980 CZ ARG A 58 -3.687 -7.817 -8.955 1.00 0.00 C ATOM 981 NH1 ARG A 58 -3.365 -7.952 -7.673 1.00 0.00 N ATOM 982 NH2 ARG A 58 -4.008 -8.889 -9.670 1.00 0.00 N ATOM 0 H ARG A 58 -3.501 -0.618 -7.788 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.660 -1.980 -9.064 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.200 -2.638 -8.998 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.448 -3.136 -7.336 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.218 -4.730 -8.110 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.883 -4.265 -9.766 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.452 -4.945 -9.348 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.982 -5.620 -7.820 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.032 -6.536 -10.481 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.135 -7.129 -7.115 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.347 -8.878 -7.246 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.273 -8.788 -10.650 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -3.989 -9.814 -9.240 1.00 0.00 H new ATOM 996 N MET A 59 -5.536 -1.934 -5.776 1.00 0.00 N ATOM 997 CA MET A 59 -6.343 -2.153 -4.584 1.00 0.00 C ATOM 998 C MET A 59 -7.571 -1.258 -4.608 1.00 0.00 C ATOM 999 O MET A 59 -8.582 -1.569 -3.989 1.00 0.00 O ATOM 1000 CB MET A 59 -5.530 -1.913 -3.311 1.00 0.00 C ATOM 1001 CG MET A 59 -4.523 -3.012 -3.021 1.00 0.00 C ATOM 1002 SD MET A 59 -5.298 -4.634 -2.861 1.00 0.00 S ATOM 1003 CE MET A 59 -3.877 -5.660 -2.500 1.00 0.00 C ATOM 0 H MET A 59 -4.651 -1.455 -5.609 1.00 0.00 H new ATOM 0 HA MET A 59 -6.666 -3.194 -4.582 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.004 -0.963 -3.399 1.00 0.00 H new ATOM 0 HB3 MET A 59 -6.212 -1.823 -2.465 1.00 0.00 H new ATOM 0 HG2 MET A 59 -3.784 -3.043 -3.821 1.00 0.00 H new ATOM 0 HG3 MET A 59 -3.987 -2.776 -2.101 1.00 0.00 H new ATOM 0 HE1 MET A 59 -4.197 -6.694 -2.374 1.00 0.00 H new ATOM 0 HE2 MET A 59 -3.165 -5.598 -3.323 1.00 0.00 H new ATOM 0 HE3 MET A 59 -3.402 -5.313 -1.582 1.00 0.00 H new ATOM 1013 N HIS A 60 -7.487 -0.149 -5.340 1.00 0.00 N ATOM 1014 CA HIS A 60 -8.651 0.704 -5.551 1.00 0.00 C ATOM 1015 C HIS A 60 -9.737 -0.071 -6.280 1.00 0.00 C ATOM 1016 O HIS A 60 -10.916 0.047 -5.952 1.00 0.00 O ATOM 1017 CB HIS A 60 -8.288 1.968 -6.335 1.00 0.00 C ATOM 1018 CG HIS A 60 -7.944 3.136 -5.465 1.00 0.00 C ATOM 1019 ND1 HIS A 60 -8.778 4.217 -5.301 1.00 0.00 N ATOM 1020 CD2 HIS A 60 -6.853 3.390 -4.710 1.00 0.00 C ATOM 1021 CE1 HIS A 60 -8.217 5.086 -4.483 1.00 0.00 C ATOM 1022 NE2 HIS A 60 -7.046 4.610 -4.108 1.00 0.00 N ATOM 0 H HIS A 60 -6.633 0.177 -5.793 1.00 0.00 H new ATOM 0 HA HIS A 60 -9.021 1.014 -4.574 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -7.442 1.750 -6.987 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -9.125 2.239 -6.978 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -5.989 2.752 -4.600 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -8.644 6.028 -4.173 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -6.392 5.071 -3.476 1.00 0.00 H new ATOM 1031 N ASP A 61 -9.329 -0.880 -7.256 1.00 0.00 N ATOM 1032 CA ASP A 61 -10.261 -1.759 -7.956 1.00 0.00 C ATOM 1033 C ASP A 61 -10.904 -2.710 -6.961 1.00 0.00 C ATOM 1034 O ASP A 61 -12.125 -2.807 -6.875 1.00 0.00 O ATOM 1035 CB ASP A 61 -9.553 -2.576 -9.046 1.00 0.00 C ATOM 1036 CG ASP A 61 -8.940 -1.727 -10.142 1.00 0.00 C ATOM 1037 OD1 ASP A 61 -9.696 -1.110 -10.919 1.00 0.00 O ATOM 1038 OD2 ASP A 61 -7.697 -1.702 -10.255 1.00 0.00 O ATOM 0 H ASP A 61 -8.363 -0.944 -7.578 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.019 -1.136 -8.431 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -8.771 -3.179 -8.585 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.268 -3.268 -9.491 1.00 0.00 H new ATOM 1043 N LEU A 62 -10.059 -3.386 -6.192 1.00 0.00 N ATOM 1044 CA LEU A 62 -10.501 -4.350 -5.188 1.00 0.00 C ATOM 1045 C LEU A 62 -11.519 -3.716 -4.235 1.00 0.00 C ATOM 1046 O LEU A 62 -12.583 -4.285 -3.971 1.00 0.00 O ATOM 1047 CB LEU A 62 -9.274 -4.865 -4.414 1.00 0.00 C ATOM 1048 CG LEU A 62 -9.492 -6.091 -3.514 1.00 0.00 C ATOM 1049 CD1 LEU A 62 -8.166 -6.778 -3.232 1.00 0.00 C ATOM 1050 CD2 LEU A 62 -10.158 -5.702 -2.201 1.00 0.00 C ATOM 0 H LEU A 62 -9.046 -3.282 -6.246 1.00 0.00 H new ATOM 0 HA LEU A 62 -10.994 -5.187 -5.683 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.493 -5.107 -5.135 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.896 -4.051 -3.795 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.152 -6.779 -4.042 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.334 -7.645 -2.593 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.716 -7.101 -4.171 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.495 -6.082 -2.729 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.298 -6.591 -1.587 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.526 -4.990 -1.670 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -11.127 -5.246 -2.405 1.00 0.00 H new ATOM 1062 N LEU A 63 -11.194 -2.528 -3.743 1.00 0.00 N ATOM 1063 CA LEU A 63 -12.032 -1.836 -2.774 1.00 0.00 C ATOM 1064 C LEU A 63 -13.373 -1.425 -3.377 1.00 0.00 C ATOM 1065 O LEU A 63 -14.427 -1.719 -2.812 1.00 0.00 O ATOM 1066 CB LEU A 63 -11.305 -0.603 -2.236 1.00 0.00 C ATOM 1067 CG LEU A 63 -9.990 -0.892 -1.516 1.00 0.00 C ATOM 1068 CD1 LEU A 63 -9.292 0.401 -1.148 1.00 0.00 C ATOM 1069 CD2 LEU A 63 -10.231 -1.737 -0.278 1.00 0.00 C ATOM 0 H LEU A 63 -10.348 -2.020 -4.002 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.231 -2.529 -1.956 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.106 0.074 -3.067 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.970 -0.078 -1.550 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.345 -1.453 -2.193 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.357 0.176 -0.636 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.082 0.972 -2.053 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.934 0.987 -0.490 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.281 -1.932 0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.895 -1.204 0.402 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.690 -2.683 -0.567 1.00 0.00 H new ATOM 1081 N ASP A 64 -13.333 -0.765 -4.529 1.00 0.00 N ATOM 1082 CA ASP A 64 -14.548 -0.245 -5.154 1.00 0.00 C ATOM 1083 C ASP A 64 -15.394 -1.360 -5.758 1.00 0.00 C ATOM 1084 O ASP A 64 -16.597 -1.195 -5.964 1.00 0.00 O ATOM 1085 CB ASP A 64 -14.207 0.810 -6.210 1.00 0.00 C ATOM 1086 CG ASP A 64 -13.914 2.165 -5.591 1.00 0.00 C ATOM 1087 OD1 ASP A 64 -12.754 2.414 -5.202 1.00 0.00 O ATOM 1088 OD2 ASP A 64 -14.851 2.983 -5.477 1.00 0.00 O ATOM 0 H ASP A 64 -12.476 -0.577 -5.049 1.00 0.00 H new ATOM 0 HA ASP A 64 -15.141 0.228 -4.371 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.342 0.480 -6.785 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -15.038 0.904 -6.909 1.00 0.00 H new ATOM 1093 N ASN A 65 -14.773 -2.501 -6.030 1.00 0.00 N ATOM 1094 CA ASN A 65 -15.514 -3.683 -6.469 1.00 0.00 C ATOM 1095 C ASN A 65 -16.130 -4.393 -5.271 1.00 0.00 C ATOM 1096 O ASN A 65 -16.845 -5.386 -5.423 1.00 0.00 O ATOM 1097 CB ASN A 65 -14.612 -4.659 -7.231 1.00 0.00 C ATOM 1098 CG ASN A 65 -14.269 -4.190 -8.631 1.00 0.00 C ATOM 1099 OD1 ASN A 65 -15.036 -3.470 -9.272 1.00 0.00 O ATOM 1100 ND2 ASN A 65 -13.114 -4.610 -9.121 1.00 0.00 N ATOM 0 H ASN A 65 -13.765 -2.636 -5.956 1.00 0.00 H new ATOM 0 HA ASN A 65 -16.303 -3.346 -7.142 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -13.690 -4.806 -6.668 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -15.106 -5.629 -7.291 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -12.830 -4.338 -10.062 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -12.507 -5.205 -8.557 1.00 0.00 H new ATOM 1107 N LYS A 66 -15.830 -3.872 -4.080 1.00 0.00 N ATOM 1108 CA LYS A 66 -16.322 -4.423 -2.822 1.00 0.00 C ATOM 1109 C LYS A 66 -15.861 -5.861 -2.622 1.00 0.00 C ATOM 1110 O LYS A 66 -16.534 -6.658 -1.966 1.00 0.00 O ATOM 1111 CB LYS A 66 -17.848 -4.321 -2.737 1.00 0.00 C ATOM 1112 CG LYS A 66 -18.343 -2.905 -2.484 1.00 0.00 C ATOM 1113 CD LYS A 66 -19.845 -2.871 -2.262 1.00 0.00 C ATOM 1114 CE LYS A 66 -20.327 -1.477 -1.887 1.00 0.00 C ATOM 1115 NZ LYS A 66 -20.072 -0.488 -2.965 1.00 0.00 N ATOM 0 H LYS A 66 -15.235 -3.051 -3.963 1.00 0.00 H new ATOM 0 HA LYS A 66 -15.896 -3.826 -2.015 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -18.282 -4.690 -3.666 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -18.205 -4.971 -1.938 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -17.836 -2.492 -1.612 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -18.085 -2.271 -3.333 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -20.354 -3.201 -3.168 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -20.112 -3.573 -1.472 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -21.395 -1.509 -1.671 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -19.826 -1.154 -0.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -20.520 0.418 -2.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -19.047 -0.349 -3.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -20.470 -0.839 -3.859 1.00 0.00 H new ATOM 1129 N GLN A 67 -14.687 -6.171 -3.153 1.00 0.00 N ATOM 1130 CA GLN A 67 -14.096 -7.488 -2.989 1.00 0.00 C ATOM 1131 C GLN A 67 -13.644 -7.698 -1.550 1.00 0.00 C ATOM 1132 O GLN A 67 -13.347 -6.732 -0.840 1.00 0.00 O ATOM 1133 CB GLN A 67 -12.912 -7.658 -3.944 1.00 0.00 C ATOM 1134 CG GLN A 67 -13.326 -7.805 -5.396 1.00 0.00 C ATOM 1135 CD GLN A 67 -14.236 -8.996 -5.607 1.00 0.00 C ATOM 1136 OE1 GLN A 67 -15.459 -8.880 -5.537 1.00 0.00 O ATOM 1137 NE2 GLN A 67 -13.647 -10.153 -5.857 1.00 0.00 N ATOM 0 H GLN A 67 -14.124 -5.523 -3.704 1.00 0.00 H new ATOM 0 HA GLN A 67 -14.852 -8.237 -3.226 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -12.251 -6.797 -3.848 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -12.338 -8.536 -3.647 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -13.835 -6.898 -5.722 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -12.437 -7.913 -6.018 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -12.630 -10.207 -5.907 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -14.210 -10.991 -6.000 1.00 0.00 H new ATOM 1146 N PRO A 68 -13.613 -8.958 -1.090 1.00 0.00 N ATOM 1147 CA PRO A 68 -13.122 -9.298 0.246 1.00 0.00 C ATOM 1148 C PRO A 68 -11.661 -8.897 0.431 1.00 0.00 C ATOM 1149 O PRO A 68 -10.867 -8.959 -0.508 1.00 0.00 O ATOM 1150 CB PRO A 68 -13.273 -10.821 0.322 1.00 0.00 C ATOM 1151 CG PRO A 68 -13.400 -11.276 -1.092 1.00 0.00 C ATOM 1152 CD PRO A 68 -14.064 -10.150 -1.829 1.00 0.00 C ATOM 0 HA PRO A 68 -13.672 -8.773 1.027 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -12.410 -11.278 0.806 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -14.150 -11.100 0.905 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -12.423 -11.500 -1.519 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -13.993 -12.188 -1.157 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -13.758 -10.116 -2.875 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -15.150 -10.245 -1.818 1.00 0.00 H new ATOM 1160 N LEU A 69 -11.315 -8.478 1.637 1.00 0.00 N ATOM 1161 CA LEU A 69 -9.954 -8.063 1.930 1.00 0.00 C ATOM 1162 C LEU A 69 -9.110 -9.269 2.315 1.00 0.00 C ATOM 1163 O LEU A 69 -9.499 -10.046 3.185 1.00 0.00 O ATOM 1164 CB LEU A 69 -9.941 -7.031 3.059 1.00 0.00 C ATOM 1165 CG LEU A 69 -10.651 -5.714 2.740 1.00 0.00 C ATOM 1166 CD1 LEU A 69 -10.634 -4.791 3.947 1.00 0.00 C ATOM 1167 CD2 LEU A 69 -10.005 -5.036 1.539 1.00 0.00 C ATOM 0 H LEU A 69 -11.957 -8.416 2.427 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.531 -7.606 1.036 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.406 -7.473 3.940 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.905 -6.814 3.320 1.00 0.00 H new ATOM 0 HG LEU A 69 -11.689 -5.935 2.493 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.144 -3.860 3.700 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -11.143 -5.273 4.781 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.603 -4.577 4.227 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.523 -4.101 1.327 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.958 -4.829 1.758 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.071 -5.692 0.671 1.00 0.00 H new ATOM 1179 N PRO A 70 -7.966 -9.458 1.644 1.00 0.00 N ATOM 1180 CA PRO A 70 -7.039 -10.544 1.957 1.00 0.00 C ATOM 1181 C PRO A 70 -6.547 -10.472 3.399 1.00 0.00 C ATOM 1182 O PRO A 70 -5.713 -9.632 3.740 1.00 0.00 O ATOM 1183 CB PRO A 70 -5.873 -10.329 0.984 1.00 0.00 C ATOM 1184 CG PRO A 70 -6.429 -9.485 -0.110 1.00 0.00 C ATOM 1185 CD PRO A 70 -7.497 -8.637 0.519 1.00 0.00 C ATOM 0 HA PRO A 70 -7.510 -11.522 1.855 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -5.035 -9.835 1.476 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.501 -11.278 0.599 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -5.652 -8.865 -0.557 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -6.842 -10.103 -0.908 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -7.102 -7.679 0.858 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -8.302 -8.419 -0.183 1.00 0.00 H new ATOM 1193 N GLY A 71 -7.059 -11.365 4.237 1.00 0.00 N ATOM 1194 CA GLY A 71 -6.704 -11.373 5.646 1.00 0.00 C ATOM 1195 C GLY A 71 -5.354 -12.012 5.900 1.00 0.00 C ATOM 1196 O GLY A 71 -5.132 -12.638 6.938 1.00 0.00 O ATOM 0 H GLY A 71 -7.721 -12.091 3.963 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.694 -10.350 6.021 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.468 -11.911 6.207 1.00 0.00 H new ATOM 1200 N ALA A 72 -4.458 -11.865 4.940 1.00 0.00 N ATOM 1201 CA ALA A 72 -3.114 -12.400 5.041 1.00 0.00 C ATOM 1202 C ALA A 72 -2.158 -11.536 4.236 1.00 0.00 C ATOM 1203 O ALA A 72 -1.059 -11.957 3.875 1.00 0.00 O ATOM 1204 CB ALA A 72 -3.080 -13.840 4.550 1.00 0.00 C ATOM 0 H ALA A 72 -4.643 -11.370 4.067 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.802 -12.390 6.085 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.065 -14.228 4.632 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.751 -14.447 5.157 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -3.400 -13.877 3.509 1.00 0.00 H new ATOM 1210 N PHE A 73 -2.591 -10.317 3.964 1.00 0.00 N ATOM 1211 CA PHE A 73 -1.797 -9.379 3.193 1.00 0.00 C ATOM 1212 C PHE A 73 -0.871 -8.604 4.120 1.00 0.00 C ATOM 1213 O PHE A 73 -1.330 -7.879 5.001 1.00 0.00 O ATOM 1214 CB PHE A 73 -2.716 -8.425 2.425 1.00 0.00 C ATOM 1215 CG PHE A 73 -1.998 -7.475 1.509 1.00 0.00 C ATOM 1216 CD1 PHE A 73 -1.642 -7.865 0.229 1.00 0.00 C ATOM 1217 CD2 PHE A 73 -1.687 -6.189 1.923 1.00 0.00 C ATOM 1218 CE1 PHE A 73 -0.992 -6.992 -0.620 1.00 0.00 C ATOM 1219 CE2 PHE A 73 -1.036 -5.313 1.079 1.00 0.00 C ATOM 1220 CZ PHE A 73 -0.688 -5.715 -0.194 1.00 0.00 C ATOM 0 H PHE A 73 -3.494 -9.953 4.268 1.00 0.00 H new ATOM 0 HA PHE A 73 -1.189 -9.926 2.473 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -3.421 -9.013 1.838 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -3.301 -7.848 3.141 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.876 -8.864 -0.109 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -1.958 -5.869 2.918 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -0.722 -7.308 -1.617 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -0.799 -4.314 1.414 1.00 0.00 H new ATOM 0 HZ PHE A 73 -0.178 -5.031 -0.856 1.00 0.00 H new ATOM 1230 N ALA A 74 0.425 -8.796 3.938 1.00 0.00 N ATOM 1231 CA ALA A 74 1.420 -8.101 4.734 1.00 0.00 C ATOM 1232 C ALA A 74 2.658 -7.822 3.895 1.00 0.00 C ATOM 1233 O ALA A 74 3.443 -8.728 3.607 1.00 0.00 O ATOM 1234 CB ALA A 74 1.778 -8.912 5.970 1.00 0.00 C ATOM 0 H ALA A 74 0.813 -9.432 3.241 1.00 0.00 H new ATOM 0 HA ALA A 74 1.003 -7.150 5.064 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.525 -8.375 6.554 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.885 -9.065 6.576 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.181 -9.879 5.667 1.00 0.00 H new ATOM 1240 N VAL A 75 2.818 -6.575 3.485 1.00 0.00 N ATOM 1241 CA VAL A 75 3.946 -6.192 2.651 1.00 0.00 C ATOM 1242 C VAL A 75 5.108 -5.673 3.486 1.00 0.00 C ATOM 1243 O VAL A 75 6.259 -5.718 3.045 1.00 0.00 O ATOM 1244 CB VAL A 75 3.558 -5.134 1.599 1.00 0.00 C ATOM 1245 CG1 VAL A 75 2.622 -5.733 0.566 1.00 0.00 C ATOM 1246 CG2 VAL A 75 2.922 -3.917 2.252 1.00 0.00 C ATOM 0 H VAL A 75 2.182 -5.811 3.715 1.00 0.00 H new ATOM 0 HA VAL A 75 4.259 -7.097 2.130 1.00 0.00 H new ATOM 0 HB VAL A 75 4.469 -4.808 1.098 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.358 -4.973 -0.169 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.117 -6.565 0.066 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.718 -6.091 1.058 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.659 -3.188 1.485 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.023 -4.220 2.788 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.628 -3.469 2.952 1.00 0.00 H new ATOM 1256 N ALA A 76 4.812 -5.198 4.692 1.00 0.00 N ATOM 1257 CA ALA A 76 5.846 -4.691 5.592 1.00 0.00 C ATOM 1258 C ALA A 76 6.954 -5.727 5.836 1.00 0.00 C ATOM 1259 O ALA A 76 8.129 -5.412 5.656 1.00 0.00 O ATOM 1260 CB ALA A 76 5.237 -4.234 6.909 1.00 0.00 C ATOM 0 H ALA A 76 3.866 -5.153 5.070 1.00 0.00 H new ATOM 0 HA ALA A 76 6.307 -3.832 5.105 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.024 -3.860 7.564 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.515 -3.440 6.720 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.735 -5.074 7.388 1.00 0.00 H new ATOM 1266 N PRO A 77 6.615 -6.981 6.231 1.00 0.00 N ATOM 1267 CA PRO A 77 7.619 -8.032 6.448 1.00 0.00 C ATOM 1268 C PRO A 77 8.462 -8.310 5.204 1.00 0.00 C ATOM 1269 O PRO A 77 9.611 -8.743 5.308 1.00 0.00 O ATOM 1270 CB PRO A 77 6.793 -9.273 6.813 1.00 0.00 C ATOM 1271 CG PRO A 77 5.406 -8.961 6.378 1.00 0.00 C ATOM 1272 CD PRO A 77 5.257 -7.476 6.524 1.00 0.00 C ATOM 0 HA PRO A 77 8.332 -7.739 7.219 1.00 0.00 H new ATOM 0 HB2 PRO A 77 7.173 -10.161 6.309 1.00 0.00 H new ATOM 0 HB3 PRO A 77 6.834 -9.472 7.884 1.00 0.00 H new ATOM 0 HG2 PRO A 77 5.241 -9.271 5.346 1.00 0.00 H new ATOM 0 HG3 PRO A 77 4.676 -9.490 6.991 1.00 0.00 H new ATOM 0 HD2 PRO A 77 4.521 -7.073 5.828 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.933 -7.199 7.527 1.00 0.00 H new ATOM 1280 N TYR A 78 7.895 -8.053 4.029 1.00 0.00 N ATOM 1281 CA TYR A 78 8.614 -8.265 2.783 1.00 0.00 C ATOM 1282 C TYR A 78 9.544 -7.089 2.505 1.00 0.00 C ATOM 1283 O TYR A 78 10.728 -7.277 2.231 1.00 0.00 O ATOM 1284 CB TYR A 78 7.647 -8.460 1.610 1.00 0.00 C ATOM 1285 CG TYR A 78 8.351 -8.776 0.306 1.00 0.00 C ATOM 1286 CD1 TYR A 78 8.720 -10.079 -0.007 1.00 0.00 C ATOM 1287 CD2 TYR A 78 8.659 -7.772 -0.607 1.00 0.00 C ATOM 1288 CE1 TYR A 78 9.376 -10.372 -1.187 1.00 0.00 C ATOM 1289 CE2 TYR A 78 9.313 -8.060 -1.790 1.00 0.00 C ATOM 1290 CZ TYR A 78 9.668 -9.359 -2.073 1.00 0.00 C ATOM 1291 OH TYR A 78 10.323 -9.647 -3.245 1.00 0.00 O ATOM 0 H TYR A 78 6.945 -7.700 3.916 1.00 0.00 H new ATOM 0 HA TYR A 78 9.207 -9.174 2.887 1.00 0.00 H new ATOM 0 HB2 TYR A 78 6.955 -9.268 1.848 1.00 0.00 H new ATOM 0 HB3 TYR A 78 7.051 -7.556 1.484 1.00 0.00 H new ATOM 0 HD1 TYR A 78 8.490 -10.876 0.684 1.00 0.00 H new ATOM 0 HD2 TYR A 78 8.383 -6.751 -0.388 1.00 0.00 H new ATOM 0 HE1 TYR A 78 9.658 -11.390 -1.413 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.544 -7.270 -2.489 1.00 0.00 H new ATOM 0 HH TYR A 78 10.295 -10.613 -3.406 1.00 0.00 H new ATOM 1301 N TYR A 79 9.009 -5.874 2.596 1.00 0.00 N ATOM 1302 CA TYR A 79 9.803 -4.671 2.359 1.00 0.00 C ATOM 1303 C TYR A 79 10.850 -4.483 3.452 1.00 0.00 C ATOM 1304 O TYR A 79 11.816 -3.745 3.277 1.00 0.00 O ATOM 1305 CB TYR A 79 8.905 -3.436 2.239 1.00 0.00 C ATOM 1306 CG TYR A 79 8.214 -3.331 0.895 1.00 0.00 C ATOM 1307 CD1 TYR A 79 8.885 -2.815 -0.206 1.00 0.00 C ATOM 1308 CD2 TYR A 79 6.903 -3.754 0.722 1.00 0.00 C ATOM 1309 CE1 TYR A 79 8.270 -2.722 -1.439 1.00 0.00 C ATOM 1310 CE2 TYR A 79 6.280 -3.667 -0.510 1.00 0.00 C ATOM 1311 CZ TYR A 79 6.968 -3.149 -1.587 1.00 0.00 C ATOM 1312 OH TYR A 79 6.353 -3.055 -2.814 1.00 0.00 O ATOM 0 H TYR A 79 8.033 -5.696 2.831 1.00 0.00 H new ATOM 0 HA TYR A 79 10.328 -4.796 1.412 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.152 -3.464 3.027 1.00 0.00 H new ATOM 0 HB3 TYR A 79 9.505 -2.541 2.403 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.906 -2.480 -0.096 1.00 0.00 H new ATOM 0 HD2 TYR A 79 6.360 -4.158 1.564 1.00 0.00 H new ATOM 0 HE1 TYR A 79 8.807 -2.316 -2.284 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.260 -4.003 -0.628 1.00 0.00 H new ATOM 0 HH TYR A 79 7.033 -2.996 -3.517 1.00 0.00 H new ATOM 1322 N GLU A 80 10.654 -5.172 4.569 1.00 0.00 N ATOM 1323 CA GLU A 80 11.665 -5.265 5.617 1.00 0.00 C ATOM 1324 C GLU A 80 12.975 -5.810 5.040 1.00 0.00 C ATOM 1325 O GLU A 80 14.066 -5.478 5.508 1.00 0.00 O ATOM 1326 CB GLU A 80 11.144 -6.178 6.737 1.00 0.00 C ATOM 1327 CG GLU A 80 12.143 -6.466 7.846 1.00 0.00 C ATOM 1328 CD GLU A 80 12.621 -5.217 8.551 1.00 0.00 C ATOM 1329 OE1 GLU A 80 11.786 -4.500 9.133 1.00 0.00 O ATOM 1330 OE2 GLU A 80 13.841 -4.949 8.531 1.00 0.00 O ATOM 0 H GLU A 80 9.794 -5.680 4.775 1.00 0.00 H new ATOM 0 HA GLU A 80 11.863 -4.274 6.026 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.258 -5.720 7.176 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.829 -7.124 6.297 1.00 0.00 H new ATOM 0 HG2 GLU A 80 11.685 -7.135 8.575 1.00 0.00 H new ATOM 0 HG3 GLU A 80 13.001 -6.991 7.427 1.00 0.00 H new ATOM 1337 N MET A 81 12.854 -6.639 4.010 1.00 0.00 N ATOM 1338 CA MET A 81 14.013 -7.220 3.346 1.00 0.00 C ATOM 1339 C MET A 81 14.246 -6.557 1.993 1.00 0.00 C ATOM 1340 O MET A 81 15.383 -6.382 1.559 1.00 0.00 O ATOM 1341 CB MET A 81 13.804 -8.719 3.128 1.00 0.00 C ATOM 1342 CG MET A 81 13.466 -9.492 4.389 1.00 0.00 C ATOM 1343 SD MET A 81 13.139 -11.235 4.058 1.00 0.00 S ATOM 1344 CE MET A 81 11.774 -11.114 2.904 1.00 0.00 C ATOM 0 H MET A 81 11.958 -6.925 3.615 1.00 0.00 H new ATOM 0 HA MET A 81 14.881 -7.057 3.985 1.00 0.00 H new ATOM 0 HB2 MET A 81 13.002 -8.861 2.403 1.00 0.00 H new ATOM 0 HB3 MET A 81 14.709 -9.140 2.689 1.00 0.00 H new ATOM 0 HG2 MET A 81 14.291 -9.408 5.096 1.00 0.00 H new ATOM 0 HG3 MET A 81 12.593 -9.045 4.863 1.00 0.00 H new ATOM 0 HE1 MET A 81 11.104 -11.962 3.043 1.00 0.00 H new ATOM 0 HE2 MET A 81 11.229 -10.187 3.082 1.00 0.00 H new ATOM 0 HE3 MET A 81 12.158 -11.119 1.884 1.00 0.00 H new ATOM 1354 N ALA A 82 13.150 -6.194 1.338 1.00 0.00 N ATOM 1355 CA ALA A 82 13.194 -5.683 -0.026 1.00 0.00 C ATOM 1356 C ALA A 82 13.664 -4.233 -0.092 1.00 0.00 C ATOM 1357 O ALA A 82 14.169 -3.785 -1.121 1.00 0.00 O ATOM 1358 CB ALA A 82 11.821 -5.817 -0.663 1.00 0.00 C ATOM 0 H ALA A 82 12.212 -6.245 1.734 1.00 0.00 H new ATOM 0 HA ALA A 82 13.922 -6.278 -0.577 1.00 0.00 H new ATOM 0 HB1 ALA A 82 11.854 -5.435 -1.683 1.00 0.00 H new ATOM 0 HB2 ALA A 82 11.528 -6.867 -0.678 1.00 0.00 H new ATOM 0 HB3 ALA A 82 11.094 -5.246 -0.085 1.00 0.00 H new ATOM 1364 N LEU A 83 13.487 -3.495 0.992 1.00 0.00 N ATOM 1365 CA LEU A 83 13.870 -2.094 1.013 1.00 0.00 C ATOM 1366 C LEU A 83 15.169 -1.916 1.789 1.00 0.00 C ATOM 1367 O LEU A 83 15.287 -2.371 2.930 1.00 0.00 O ATOM 1368 CB LEU A 83 12.746 -1.244 1.615 1.00 0.00 C ATOM 1369 CG LEU A 83 12.938 0.269 1.506 1.00 0.00 C ATOM 1370 CD1 LEU A 83 13.230 0.666 0.068 1.00 0.00 C ATOM 1371 CD2 LEU A 83 11.698 0.993 2.008 1.00 0.00 C ATOM 0 H LEU A 83 13.083 -3.840 1.863 1.00 0.00 H new ATOM 0 HA LEU A 83 14.037 -1.756 -0.010 1.00 0.00 H new ATOM 0 HB2 LEU A 83 11.810 -1.511 1.125 1.00 0.00 H new ATOM 0 HB3 LEU A 83 12.640 -1.505 2.668 1.00 0.00 H new ATOM 0 HG LEU A 83 13.788 0.556 2.125 1.00 0.00 H new ATOM 0 HD11 LEU A 83 13.364 1.746 0.009 1.00 0.00 H new ATOM 0 HD12 LEU A 83 14.139 0.169 -0.269 1.00 0.00 H new ATOM 0 HD13 LEU A 83 12.396 0.368 -0.568 1.00 0.00 H new ATOM 0 HD21 LEU A 83 11.847 2.070 1.925 1.00 0.00 H new ATOM 0 HD22 LEU A 83 10.837 0.699 1.408 1.00 0.00 H new ATOM 0 HD23 LEU A 83 11.520 0.730 3.051 1.00 0.00 H new ATOM 1383 N ALA A 84 16.134 -1.258 1.151 1.00 0.00 N ATOM 1384 CA ALA A 84 17.475 -1.091 1.703 1.00 0.00 C ATOM 1385 C ALA A 84 17.448 -0.484 3.096 1.00 0.00 C ATOM 1386 O ALA A 84 16.864 0.576 3.320 1.00 0.00 O ATOM 1387 CB ALA A 84 18.322 -0.243 0.768 1.00 0.00 C ATOM 0 H ALA A 84 16.008 -0.825 0.236 1.00 0.00 H new ATOM 0 HA ALA A 84 17.921 -2.082 1.793 1.00 0.00 H new ATOM 0 HB1 ALA A 84 19.320 -0.124 1.189 1.00 0.00 H new ATOM 0 HB2 ALA A 84 18.393 -0.733 -0.203 1.00 0.00 H new ATOM 0 HB3 ALA A 84 17.860 0.737 0.647 1.00 0.00 H new ATOM 1393 N THR A 85 18.111 -1.166 4.012 1.00 0.00 N ATOM 1394 CA THR A 85 18.101 -0.814 5.419 1.00 0.00 C ATOM 1395 C THR A 85 18.820 0.508 5.673 1.00 0.00 C ATOM 1396 O THR A 85 18.418 1.288 6.537 1.00 0.00 O ATOM 1397 CB THR A 85 18.773 -1.926 6.237 1.00 0.00 C ATOM 1398 OG1 THR A 85 18.782 -3.143 5.474 1.00 0.00 O ATOM 1399 CG2 THR A 85 18.029 -2.156 7.538 1.00 0.00 C ATOM 0 H THR A 85 18.677 -1.987 3.798 1.00 0.00 H new ATOM 0 HA THR A 85 17.062 -0.700 5.726 1.00 0.00 H new ATOM 0 HB THR A 85 19.795 -1.622 6.465 1.00 0.00 H new ATOM 0 HG1 THR A 85 19.212 -3.853 5.995 1.00 0.00 H new ATOM 0 HG21 THR A 85 18.521 -2.948 8.103 1.00 0.00 H new ATOM 0 HG22 THR A 85 18.029 -1.237 8.125 1.00 0.00 H new ATOM 0 HG23 THR A 85 17.001 -2.449 7.323 1.00 0.00 H new ATOM 1407 N ASP A 86 19.873 0.757 4.901 1.00 0.00 N ATOM 1408 CA ASP A 86 20.682 1.956 5.058 1.00 0.00 C ATOM 1409 C ASP A 86 19.945 3.183 4.533 1.00 0.00 C ATOM 1410 O ASP A 86 20.307 4.320 4.846 1.00 0.00 O ATOM 1411 CB ASP A 86 22.001 1.795 4.300 1.00 0.00 C ATOM 1412 CG ASP A 86 21.847 2.001 2.803 1.00 0.00 C ATOM 1413 OD1 ASP A 86 21.143 1.201 2.154 1.00 0.00 O ATOM 1414 OD2 ASP A 86 22.437 2.965 2.267 1.00 0.00 O ATOM 0 H ASP A 86 20.186 0.137 4.154 1.00 0.00 H new ATOM 0 HA ASP A 86 20.881 2.096 6.121 1.00 0.00 H new ATOM 0 HB2 ASP A 86 22.727 2.509 4.688 1.00 0.00 H new ATOM 0 HB3 ASP A 86 22.403 0.799 4.486 1.00 0.00 H new ATOM 1419 N HIS A 87 18.916 2.946 3.731 1.00 0.00 N ATOM 1420 CA HIS A 87 18.171 4.027 3.113 1.00 0.00 C ATOM 1421 C HIS A 87 17.264 4.704 4.132 1.00 0.00 C ATOM 1422 O HIS A 87 16.456 4.049 4.788 1.00 0.00 O ATOM 1423 CB HIS A 87 17.353 3.506 1.927 1.00 0.00 C ATOM 1424 CG HIS A 87 16.636 4.587 1.180 1.00 0.00 C ATOM 1425 ND1 HIS A 87 17.253 5.387 0.242 1.00 0.00 N ATOM 1426 CD2 HIS A 87 15.352 5.015 1.249 1.00 0.00 C ATOM 1427 CE1 HIS A 87 16.384 6.258 -0.229 1.00 0.00 C ATOM 1428 NE2 HIS A 87 15.225 6.054 0.364 1.00 0.00 N ATOM 0 H HIS A 87 18.580 2.012 3.495 1.00 0.00 H new ATOM 0 HA HIS A 87 18.882 4.766 2.743 1.00 0.00 H new ATOM 0 HB2 HIS A 87 18.016 2.979 1.241 1.00 0.00 H new ATOM 0 HB3 HIS A 87 16.625 2.780 2.288 1.00 0.00 H new ATOM 0 HD2 HIS A 87 14.575 4.613 1.882 1.00 0.00 H new ATOM 0 HE1 HIS A 87 16.587 7.012 -0.975 1.00 0.00 H new ATOM 0 HE2 HIS A 87 14.371 6.584 0.192 1.00 0.00 H new ATOM 1437 N PRO A 88 17.397 6.029 4.273 1.00 0.00 N ATOM 1438 CA PRO A 88 16.595 6.809 5.219 1.00 0.00 C ATOM 1439 C PRO A 88 15.104 6.778 4.895 1.00 0.00 C ATOM 1440 O PRO A 88 14.710 6.510 3.758 1.00 0.00 O ATOM 1441 CB PRO A 88 17.140 8.233 5.072 1.00 0.00 C ATOM 1442 CG PRO A 88 17.819 8.259 3.746 1.00 0.00 C ATOM 1443 CD PRO A 88 18.347 6.872 3.527 1.00 0.00 C ATOM 0 HA PRO A 88 16.673 6.409 6.230 1.00 0.00 H new ATOM 0 HB2 PRO A 88 16.337 8.968 5.117 1.00 0.00 H new ATOM 0 HB3 PRO A 88 17.837 8.472 5.875 1.00 0.00 H new ATOM 0 HG2 PRO A 88 17.123 8.541 2.956 1.00 0.00 H new ATOM 0 HG3 PRO A 88 18.627 8.991 3.735 1.00 0.00 H new ATOM 0 HD2 PRO A 88 18.371 6.613 2.469 1.00 0.00 H new ATOM 0 HD3 PRO A 88 19.364 6.764 3.904 1.00 0.00 H new ATOM 1451 N GLN A 89 14.288 7.055 5.911 1.00 0.00 N ATOM 1452 CA GLN A 89 12.830 7.094 5.783 1.00 0.00 C ATOM 1453 C GLN A 89 12.246 5.719 5.478 1.00 0.00 C ATOM 1454 O GLN A 89 11.066 5.598 5.143 1.00 0.00 O ATOM 1455 CB GLN A 89 12.401 8.109 4.721 1.00 0.00 C ATOM 1456 CG GLN A 89 12.786 9.536 5.068 1.00 0.00 C ATOM 1457 CD GLN A 89 12.241 10.545 4.083 1.00 0.00 C ATOM 1458 OE1 GLN A 89 12.075 10.251 2.899 1.00 0.00 O ATOM 1459 NE2 GLN A 89 11.943 11.740 4.570 1.00 0.00 N ATOM 0 H GLN A 89 14.621 7.260 6.853 1.00 0.00 H new ATOM 0 HA GLN A 89 12.433 7.411 6.747 1.00 0.00 H new ATOM 0 HB2 GLN A 89 12.853 7.839 3.766 1.00 0.00 H new ATOM 0 HB3 GLN A 89 11.320 8.053 4.589 1.00 0.00 H new ATOM 0 HG2 GLN A 89 12.419 9.774 6.066 1.00 0.00 H new ATOM 0 HG3 GLN A 89 13.873 9.617 5.101 1.00 0.00 H new ATOM 0 HE21 GLN A 89 12.097 11.941 5.558 1.00 0.00 H new ATOM 0 HE22 GLN A 89 11.560 12.459 3.957 1.00 0.00 H new ATOM 1468 N ARG A 90 13.061 4.684 5.628 1.00 0.00 N ATOM 1469 CA ARG A 90 12.601 3.321 5.424 1.00 0.00 C ATOM 1470 C ARG A 90 11.564 2.979 6.482 1.00 0.00 C ATOM 1471 O ARG A 90 10.531 2.375 6.193 1.00 0.00 O ATOM 1472 CB ARG A 90 13.767 2.335 5.509 1.00 0.00 C ATOM 1473 CG ARG A 90 13.437 0.969 4.937 1.00 0.00 C ATOM 1474 CD ARG A 90 14.541 -0.040 5.194 1.00 0.00 C ATOM 1475 NE ARG A 90 14.449 -0.625 6.526 1.00 0.00 N ATOM 1476 CZ ARG A 90 14.400 -1.935 6.755 1.00 0.00 C ATOM 1477 NH1 ARG A 90 14.546 -2.796 5.754 1.00 0.00 N ATOM 1478 NH2 ARG A 90 14.230 -2.385 7.988 1.00 0.00 N ATOM 0 H ARG A 90 14.043 4.764 5.890 1.00 0.00 H new ATOM 0 HA ARG A 90 12.159 3.245 4.431 1.00 0.00 H new ATOM 0 HB2 ARG A 90 14.623 2.748 4.976 1.00 0.00 H new ATOM 0 HB3 ARG A 90 14.065 2.223 6.552 1.00 0.00 H new ATOM 0 HG2 ARG A 90 12.507 0.608 5.376 1.00 0.00 H new ATOM 0 HG3 ARG A 90 13.270 1.057 3.864 1.00 0.00 H new ATOM 0 HD2 ARG A 90 14.490 -0.832 4.446 1.00 0.00 H new ATOM 0 HD3 ARG A 90 15.510 0.446 5.078 1.00 0.00 H new ATOM 0 HE ARG A 90 14.421 0.005 7.328 1.00 0.00 H new ATOM 0 HH11 ARG A 90 14.696 -2.454 4.805 1.00 0.00 H new ATOM 0 HH12 ARG A 90 14.508 -3.799 5.934 1.00 0.00 H new ATOM 0 HH21 ARG A 90 14.137 -1.728 8.762 1.00 0.00 H new ATOM 0 HH22 ARG A 90 14.192 -3.389 8.164 1.00 0.00 H new ATOM 1492 N ALA A 91 11.845 3.405 7.709 1.00 0.00 N ATOM 1493 CA ALA A 91 10.953 3.171 8.832 1.00 0.00 C ATOM 1494 C ALA A 91 9.625 3.895 8.638 1.00 0.00 C ATOM 1495 O ALA A 91 8.586 3.436 9.106 1.00 0.00 O ATOM 1496 CB ALA A 91 11.615 3.615 10.124 1.00 0.00 C ATOM 0 H ALA A 91 12.693 3.919 7.949 1.00 0.00 H new ATOM 0 HA ALA A 91 10.747 2.102 8.888 1.00 0.00 H new ATOM 0 HB1 ALA A 91 10.939 3.436 10.960 1.00 0.00 H new ATOM 0 HB2 ALA A 91 12.535 3.050 10.274 1.00 0.00 H new ATOM 0 HB3 ALA A 91 11.847 4.678 10.067 1.00 0.00 H new ATOM 1502 N LEU A 92 9.665 5.028 7.946 1.00 0.00 N ATOM 1503 CA LEU A 92 8.455 5.793 7.665 1.00 0.00 C ATOM 1504 C LEU A 92 7.585 5.054 6.659 1.00 0.00 C ATOM 1505 O LEU A 92 6.366 4.969 6.817 1.00 0.00 O ATOM 1506 CB LEU A 92 8.806 7.181 7.126 1.00 0.00 C ATOM 1507 CG LEU A 92 9.596 8.074 8.080 1.00 0.00 C ATOM 1508 CD1 LEU A 92 9.910 9.402 7.415 1.00 0.00 C ATOM 1509 CD2 LEU A 92 8.826 8.295 9.373 1.00 0.00 C ATOM 0 H LEU A 92 10.520 5.437 7.570 1.00 0.00 H new ATOM 0 HA LEU A 92 7.902 5.910 8.597 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.381 7.061 6.208 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.881 7.693 6.858 1.00 0.00 H new ATOM 0 HG LEU A 92 10.533 7.574 8.324 1.00 0.00 H new ATOM 0 HD11 LEU A 92 10.473 10.030 8.105 1.00 0.00 H new ATOM 0 HD12 LEU A 92 10.502 9.228 6.517 1.00 0.00 H new ATOM 0 HD13 LEU A 92 8.980 9.903 7.145 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.407 8.934 10.038 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.872 8.774 9.151 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.646 7.335 9.858 1.00 0.00 H new ATOM 1521 N ILE A 93 8.222 4.515 5.628 1.00 0.00 N ATOM 1522 CA ILE A 93 7.516 3.752 4.611 1.00 0.00 C ATOM 1523 C ILE A 93 6.925 2.483 5.218 1.00 0.00 C ATOM 1524 O ILE A 93 5.753 2.171 5.012 1.00 0.00 O ATOM 1525 CB ILE A 93 8.446 3.376 3.435 1.00 0.00 C ATOM 1526 CG1 ILE A 93 9.098 4.635 2.853 1.00 0.00 C ATOM 1527 CG2 ILE A 93 7.670 2.627 2.359 1.00 0.00 C ATOM 1528 CD1 ILE A 93 10.055 4.360 1.711 1.00 0.00 C ATOM 0 H ILE A 93 9.227 4.593 5.475 1.00 0.00 H new ATOM 0 HA ILE A 93 6.714 4.382 4.226 1.00 0.00 H new ATOM 0 HB ILE A 93 9.232 2.719 3.808 1.00 0.00 H new ATOM 0 HG12 ILE A 93 8.316 5.309 2.504 1.00 0.00 H new ATOM 0 HG13 ILE A 93 9.635 5.154 3.647 1.00 0.00 H new ATOM 0 HG21 ILE A 93 8.341 2.370 1.539 1.00 0.00 H new ATOM 0 HG22 ILE A 93 7.249 1.715 2.782 1.00 0.00 H new ATOM 0 HG23 ILE A 93 6.865 3.259 1.985 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.475 5.300 1.354 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.860 3.712 2.059 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.520 3.869 0.898 1.00 0.00 H new ATOM 1540 N LEU A 94 7.740 1.774 5.994 1.00 0.00 N ATOM 1541 CA LEU A 94 7.310 0.538 6.638 1.00 0.00 C ATOM 1542 C LEU A 94 6.154 0.786 7.598 1.00 0.00 C ATOM 1543 O LEU A 94 5.231 -0.015 7.674 1.00 0.00 O ATOM 1544 CB LEU A 94 8.474 -0.114 7.386 1.00 0.00 C ATOM 1545 CG LEU A 94 9.602 -0.646 6.500 1.00 0.00 C ATOM 1546 CD1 LEU A 94 10.728 -1.204 7.352 1.00 0.00 C ATOM 1547 CD2 LEU A 94 9.076 -1.710 5.548 1.00 0.00 C ATOM 0 H LEU A 94 8.706 2.036 6.192 1.00 0.00 H new ATOM 0 HA LEU A 94 6.967 -0.137 5.854 1.00 0.00 H new ATOM 0 HB2 LEU A 94 8.892 0.615 8.081 1.00 0.00 H new ATOM 0 HB3 LEU A 94 8.085 -0.938 7.984 1.00 0.00 H new ATOM 0 HG LEU A 94 9.995 0.181 5.908 1.00 0.00 H new ATOM 0 HD11 LEU A 94 11.522 -1.578 6.706 1.00 0.00 H new ATOM 0 HD12 LEU A 94 11.123 -0.417 7.994 1.00 0.00 H new ATOM 0 HD13 LEU A 94 10.348 -2.018 7.969 1.00 0.00 H new ATOM 0 HD21 LEU A 94 9.892 -2.077 4.926 1.00 0.00 H new ATOM 0 HD22 LEU A 94 8.657 -2.537 6.122 1.00 0.00 H new ATOM 0 HD23 LEU A 94 8.301 -1.280 4.914 1.00 0.00 H new ATOM 1559 N ALA A 95 6.204 1.901 8.318 1.00 0.00 N ATOM 1560 CA ALA A 95 5.152 2.246 9.269 1.00 0.00 C ATOM 1561 C ALA A 95 3.802 2.380 8.571 1.00 0.00 C ATOM 1562 O ALA A 95 2.798 1.843 9.040 1.00 0.00 O ATOM 1563 CB ALA A 95 5.496 3.529 10.004 1.00 0.00 C ATOM 0 H ALA A 95 6.961 2.582 8.262 1.00 0.00 H new ATOM 0 HA ALA A 95 5.079 1.436 9.995 1.00 0.00 H new ATOM 0 HB1 ALA A 95 4.700 3.770 10.708 1.00 0.00 H new ATOM 0 HB2 ALA A 95 6.433 3.398 10.546 1.00 0.00 H new ATOM 0 HB3 ALA A 95 5.603 4.342 9.286 1.00 0.00 H new ATOM 1569 N GLU A 96 3.784 3.085 7.444 1.00 0.00 N ATOM 1570 CA GLU A 96 2.558 3.254 6.673 1.00 0.00 C ATOM 1571 C GLU A 96 2.097 1.902 6.130 1.00 0.00 C ATOM 1572 O GLU A 96 0.903 1.605 6.090 1.00 0.00 O ATOM 1573 CB GLU A 96 2.784 4.239 5.524 1.00 0.00 C ATOM 1574 CG GLU A 96 1.502 4.788 4.916 1.00 0.00 C ATOM 1575 CD GLU A 96 0.702 5.622 5.899 1.00 0.00 C ATOM 1576 OE1 GLU A 96 1.166 6.721 6.269 1.00 0.00 O ATOM 1577 OE2 GLU A 96 -0.383 5.180 6.317 1.00 0.00 O ATOM 0 H GLU A 96 4.602 3.547 7.046 1.00 0.00 H new ATOM 0 HA GLU A 96 1.783 3.657 7.325 1.00 0.00 H new ATOM 0 HB2 GLU A 96 3.387 5.071 5.886 1.00 0.00 H new ATOM 0 HB3 GLU A 96 3.361 3.744 4.743 1.00 0.00 H new ATOM 0 HG2 GLU A 96 1.748 5.396 4.045 1.00 0.00 H new ATOM 0 HG3 GLU A 96 0.888 3.960 4.563 1.00 0.00 H new ATOM 1584 N LEU A 97 3.062 1.079 5.732 1.00 0.00 N ATOM 1585 CA LEU A 97 2.775 -0.261 5.239 1.00 0.00 C ATOM 1586 C LEU A 97 2.163 -1.120 6.339 1.00 0.00 C ATOM 1587 O LEU A 97 1.149 -1.770 6.126 1.00 0.00 O ATOM 1588 CB LEU A 97 4.045 -0.926 4.703 1.00 0.00 C ATOM 1589 CG LEU A 97 4.674 -0.248 3.483 1.00 0.00 C ATOM 1590 CD1 LEU A 97 5.947 -0.970 3.072 1.00 0.00 C ATOM 1591 CD2 LEU A 97 3.686 -0.205 2.326 1.00 0.00 C ATOM 0 H LEU A 97 4.053 1.319 5.742 1.00 0.00 H new ATOM 0 HA LEU A 97 2.057 -0.171 4.424 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.785 -0.956 5.503 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.813 -1.959 4.444 1.00 0.00 H new ATOM 0 HG LEU A 97 4.930 0.777 3.752 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.382 -0.475 2.203 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.660 -0.948 3.896 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.714 -2.005 2.821 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.151 0.280 1.468 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.398 -1.221 2.056 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.801 0.356 2.624 1.00 0.00 H new ATOM 1603 N GLU A 98 2.772 -1.093 7.523 1.00 0.00 N ATOM 1604 CA GLU A 98 2.276 -1.860 8.665 1.00 0.00 C ATOM 1605 C GLU A 98 0.860 -1.441 9.034 1.00 0.00 C ATOM 1606 O GLU A 98 0.085 -2.241 9.557 1.00 0.00 O ATOM 1607 CB GLU A 98 3.187 -1.689 9.883 1.00 0.00 C ATOM 1608 CG GLU A 98 4.566 -2.302 9.717 1.00 0.00 C ATOM 1609 CD GLU A 98 5.365 -2.277 11.002 1.00 0.00 C ATOM 1610 OE1 GLU A 98 5.223 -3.218 11.812 1.00 0.00 O ATOM 1611 OE2 GLU A 98 6.135 -1.318 11.213 1.00 0.00 O ATOM 0 H GLU A 98 3.612 -0.547 7.717 1.00 0.00 H new ATOM 0 HA GLU A 98 2.271 -2.909 8.369 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.297 -0.625 10.094 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.704 -2.138 10.751 1.00 0.00 H new ATOM 0 HG2 GLU A 98 4.464 -3.332 9.375 1.00 0.00 H new ATOM 0 HG3 GLU A 98 5.111 -1.761 8.943 1.00 0.00 H new ATOM 1618 N LYS A 99 0.535 -0.182 8.774 1.00 0.00 N ATOM 1619 CA LYS A 99 -0.800 0.330 9.038 1.00 0.00 C ATOM 1620 C LYS A 99 -1.783 -0.223 8.007 1.00 0.00 C ATOM 1621 O LYS A 99 -2.905 -0.604 8.341 1.00 0.00 O ATOM 1622 CB LYS A 99 -0.798 1.856 8.989 1.00 0.00 C ATOM 1623 CG LYS A 99 -2.012 2.493 9.641 1.00 0.00 C ATOM 1624 CD LYS A 99 -2.153 3.944 9.226 1.00 0.00 C ATOM 1625 CE LYS A 99 -0.911 4.758 9.548 1.00 0.00 C ATOM 1626 NZ LYS A 99 -0.880 6.023 8.770 1.00 0.00 N ATOM 0 H LYS A 99 1.180 0.503 8.380 1.00 0.00 H new ATOM 0 HA LYS A 99 -1.109 0.010 10.033 1.00 0.00 H new ATOM 0 HB2 LYS A 99 0.102 2.225 9.481 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.746 2.176 7.948 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -2.910 1.942 9.362 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -1.923 2.428 10.725 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -2.352 3.996 8.156 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -3.013 4.382 9.731 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -0.887 4.983 10.614 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -0.020 4.170 9.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 0.032 6.500 8.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -0.998 5.812 7.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -1.652 6.644 9.086 1.00 0.00 H new ATOM 1640 N LEU A 100 -1.344 -0.267 6.753 1.00 0.00 N ATOM 1641 CA LEU A 100 -2.146 -0.832 5.675 1.00 0.00 C ATOM 1642 C LEU A 100 -2.335 -2.329 5.892 1.00 0.00 C ATOM 1643 O LEU A 100 -3.455 -2.843 5.830 1.00 0.00 O ATOM 1644 CB LEU A 100 -1.471 -0.574 4.322 1.00 0.00 C ATOM 1645 CG LEU A 100 -2.235 -1.088 3.100 1.00 0.00 C ATOM 1646 CD1 LEU A 100 -3.568 -0.370 2.959 1.00 0.00 C ATOM 1647 CD2 LEU A 100 -1.402 -0.912 1.841 1.00 0.00 C ATOM 0 H LEU A 100 -0.433 0.084 6.458 1.00 0.00 H new ATOM 0 HA LEU A 100 -3.124 -0.351 5.675 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.319 0.499 4.210 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.484 -1.036 4.333 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.431 -2.151 3.241 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.095 -0.750 2.084 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.171 -0.544 3.850 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.394 0.700 2.842 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -1.960 -1.283 0.981 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.176 0.145 1.699 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.472 -1.472 1.939 1.00 0.00 H new ATOM 1659 N ASP A 101 -1.230 -3.014 6.173 1.00 0.00 N ATOM 1660 CA ASP A 101 -1.253 -4.443 6.465 1.00 0.00 C ATOM 1661 C ASP A 101 -2.166 -4.723 7.650 1.00 0.00 C ATOM 1662 O ASP A 101 -2.831 -5.751 7.702 1.00 0.00 O ATOM 1663 CB ASP A 101 0.156 -4.971 6.776 1.00 0.00 C ATOM 1664 CG ASP A 101 1.101 -4.929 5.586 1.00 0.00 C ATOM 1665 OD1 ASP A 101 0.635 -5.056 4.437 1.00 0.00 O ATOM 1666 OD2 ASP A 101 2.327 -4.806 5.801 1.00 0.00 O ATOM 0 H ASP A 101 -0.300 -2.597 6.205 1.00 0.00 H new ATOM 0 HA ASP A 101 -1.630 -4.955 5.580 1.00 0.00 H new ATOM 0 HB2 ASP A 101 0.583 -4.384 7.589 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.079 -5.999 7.131 1.00 0.00 H new ATOM 1671 N ALA A 102 -2.204 -3.789 8.597 1.00 0.00 N ATOM 1672 CA ALA A 102 -3.051 -3.917 9.777 1.00 0.00 C ATOM 1673 C ALA A 102 -4.527 -3.889 9.404 1.00 0.00 C ATOM 1674 O ALA A 102 -5.358 -4.456 10.106 1.00 0.00 O ATOM 1675 CB ALA A 102 -2.747 -2.813 10.777 1.00 0.00 C ATOM 0 H ALA A 102 -1.654 -2.931 8.568 1.00 0.00 H new ATOM 0 HA ALA A 102 -2.833 -4.881 10.236 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -3.389 -2.926 11.650 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -1.703 -2.877 11.084 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -2.930 -1.843 10.315 1.00 0.00 H new ATOM 1681 N LEU A 103 -4.847 -3.226 8.300 1.00 0.00 N ATOM 1682 CA LEU A 103 -6.225 -3.151 7.830 1.00 0.00 C ATOM 1683 C LEU A 103 -6.625 -4.451 7.146 1.00 0.00 C ATOM 1684 O LEU A 103 -7.783 -4.867 7.207 1.00 0.00 O ATOM 1685 CB LEU A 103 -6.407 -1.971 6.872 1.00 0.00 C ATOM 1686 CG LEU A 103 -6.189 -0.591 7.494 1.00 0.00 C ATOM 1687 CD1 LEU A 103 -6.374 0.498 6.452 1.00 0.00 C ATOM 1688 CD2 LEU A 103 -7.140 -0.377 8.662 1.00 0.00 C ATOM 0 H LEU A 103 -4.173 -2.733 7.714 1.00 0.00 H new ATOM 0 HA LEU A 103 -6.872 -2.997 8.694 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -5.715 -2.090 6.038 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -7.415 -2.011 6.458 1.00 0.00 H new ATOM 0 HG LEU A 103 -5.166 -0.540 7.868 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -6.215 1.473 6.913 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.655 0.356 5.646 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -7.385 0.448 6.049 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -6.971 0.610 9.093 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -8.169 -0.448 8.311 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.962 -1.139 9.421 1.00 0.00 H new ATOM 1700 N PHE A 104 -5.660 -5.090 6.498 1.00 0.00 N ATOM 1701 CA PHE A 104 -5.891 -6.387 5.874 1.00 0.00 C ATOM 1702 C PHE A 104 -5.872 -7.498 6.918 1.00 0.00 C ATOM 1703 O PHE A 104 -6.721 -8.384 6.911 1.00 0.00 O ATOM 1704 CB PHE A 104 -4.847 -6.661 4.793 1.00 0.00 C ATOM 1705 CG PHE A 104 -5.042 -5.838 3.552 1.00 0.00 C ATOM 1706 CD1 PHE A 104 -5.892 -6.275 2.550 1.00 0.00 C ATOM 1707 CD2 PHE A 104 -4.381 -4.632 3.384 1.00 0.00 C ATOM 1708 CE1 PHE A 104 -6.078 -5.528 1.404 1.00 0.00 C ATOM 1709 CE2 PHE A 104 -4.563 -3.880 2.239 1.00 0.00 C ATOM 1710 CZ PHE A 104 -5.414 -4.329 1.248 1.00 0.00 C ATOM 0 H PHE A 104 -4.711 -4.732 6.391 1.00 0.00 H new ATOM 0 HA PHE A 104 -6.876 -6.366 5.407 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -3.855 -6.464 5.199 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -4.878 -7.718 4.528 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -6.416 -7.212 2.666 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -3.716 -4.276 4.157 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -6.743 -5.882 0.630 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -4.041 -2.942 2.119 1.00 0.00 H new ATOM 0 HZ PHE A 104 -5.559 -3.743 0.353 1.00 0.00 H new ATOM 1720 N ALA A 105 -4.911 -7.427 7.832 1.00 0.00 N ATOM 1721 CA ALA A 105 -4.788 -8.410 8.903 1.00 0.00 C ATOM 1722 C ALA A 105 -5.781 -8.120 10.024 1.00 0.00 C ATOM 1723 O ALA A 105 -5.761 -8.765 11.076 1.00 0.00 O ATOM 1724 CB ALA A 105 -3.367 -8.426 9.444 1.00 0.00 C ATOM 0 H ALA A 105 -4.202 -6.694 7.853 1.00 0.00 H new ATOM 0 HA ALA A 105 -5.018 -9.393 8.492 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -3.290 -9.164 10.242 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -2.675 -8.685 8.642 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -3.116 -7.440 9.836 1.00 0.00 H new ATOM 1730 N ASP A 106 -6.644 -7.142 9.789 1.00 0.00 N ATOM 1731 CA ASP A 106 -7.710 -6.801 10.725 1.00 0.00 C ATOM 1732 C ASP A 106 -8.769 -7.897 10.718 1.00 0.00 C ATOM 1733 O ASP A 106 -9.536 -8.055 11.670 1.00 0.00 O ATOM 1734 CB ASP A 106 -8.326 -5.451 10.343 1.00 0.00 C ATOM 1735 CG ASP A 106 -9.479 -5.043 11.235 1.00 0.00 C ATOM 1736 OD1 ASP A 106 -9.233 -4.620 12.385 1.00 0.00 O ATOM 1737 OD2 ASP A 106 -10.638 -5.120 10.780 1.00 0.00 O ATOM 0 H ASP A 106 -6.627 -6.564 8.949 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.298 -6.720 11.731 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -7.554 -4.683 10.385 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -8.673 -5.497 9.311 1.00 0.00 H new ATOM 1742 N ASP A 107 -8.788 -8.661 9.636 1.00 0.00 N ATOM 1743 CA ASP A 107 -9.684 -9.796 9.511 1.00 0.00 C ATOM 1744 C ASP A 107 -8.880 -11.027 9.110 1.00 0.00 C ATOM 1745 O ASP A 107 -7.826 -10.908 8.488 1.00 0.00 O ATOM 1746 CB ASP A 107 -10.776 -9.507 8.473 1.00 0.00 C ATOM 1747 CG ASP A 107 -11.944 -10.474 8.563 1.00 0.00 C ATOM 1748 OD1 ASP A 107 -11.965 -11.300 9.500 1.00 0.00 O ATOM 1749 OD2 ASP A 107 -12.860 -10.391 7.711 1.00 0.00 O ATOM 0 H ASP A 107 -8.186 -8.512 8.826 1.00 0.00 H new ATOM 0 HA ASP A 107 -10.170 -9.979 10.469 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -11.141 -8.489 8.610 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -10.344 -9.558 7.474 1.00 0.00 H new ATOM 1754 N ALA A 108 -9.359 -12.195 9.488 1.00 0.00 N ATOM 1755 CA ALA A 108 -8.696 -13.443 9.145 1.00 0.00 C ATOM 1756 C ALA A 108 -9.694 -14.372 8.480 1.00 0.00 C ATOM 1757 O ALA A 108 -9.498 -14.822 7.350 1.00 0.00 O ATOM 1758 CB ALA A 108 -8.094 -14.091 10.383 1.00 0.00 C ATOM 0 H ALA A 108 -10.211 -12.309 10.037 1.00 0.00 H new ATOM 0 HA ALA A 108 -7.881 -13.239 8.451 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -7.603 -15.023 10.104 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -7.364 -13.416 10.829 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -8.883 -14.299 11.105 1.00 0.00 H new ATOM 1764 N SER A 109 -10.771 -14.649 9.191 1.00 0.00 N ATOM 1765 CA SER A 109 -11.885 -15.375 8.625 1.00 0.00 C ATOM 1766 C SER A 109 -12.903 -14.374 8.108 1.00 0.00 C ATOM 1767 O SER A 109 -13.509 -13.641 8.890 1.00 0.00 O ATOM 1768 CB SER A 109 -12.505 -16.293 9.677 1.00 0.00 C ATOM 1769 OG SER A 109 -11.542 -17.217 10.156 1.00 0.00 O ATOM 0 H SER A 109 -10.895 -14.379 10.167 1.00 0.00 H new ATOM 0 HA SER A 109 -11.544 -16.000 7.800 1.00 0.00 H new ATOM 0 HB2 SER A 109 -12.892 -15.699 10.505 1.00 0.00 H new ATOM 0 HB3 SER A 109 -13.351 -16.830 9.248 1.00 0.00 H new ATOM 0 HG SER A 109 -11.953 -17.797 10.830 1.00 0.00 H new ATOM 1775 N LEU A 110 -13.105 -14.363 6.794 1.00 0.00 N ATOM 1776 CA LEU A 110 -13.878 -13.312 6.129 1.00 0.00 C ATOM 1777 C LEU A 110 -15.365 -13.356 6.485 1.00 0.00 C ATOM 1778 O LEU A 110 -16.186 -12.683 5.857 1.00 0.00 O ATOM 1779 CB LEU A 110 -13.695 -13.409 4.617 1.00 0.00 C ATOM 1780 CG LEU A 110 -12.263 -13.190 4.127 1.00 0.00 C ATOM 1781 CD1 LEU A 110 -12.185 -13.341 2.618 1.00 0.00 C ATOM 1782 CD2 LEU A 110 -11.760 -11.819 4.551 1.00 0.00 C ATOM 0 H LEU A 110 -12.742 -15.076 6.161 1.00 0.00 H new ATOM 0 HA LEU A 110 -13.495 -12.356 6.488 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -14.030 -14.392 4.287 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -14.343 -12.675 4.139 1.00 0.00 H new ATOM 0 HG LEU A 110 -11.625 -13.948 4.581 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -11.158 -13.181 2.289 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -12.505 -14.344 2.336 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -12.836 -12.606 2.145 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -10.740 -11.679 4.194 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -12.402 -11.048 4.125 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -11.777 -11.745 5.638 1.00 0.00 H new ATOM 1794 N GLU A 111 -15.704 -14.137 7.497 1.00 0.00 N ATOM 1795 CA GLU A 111 -17.038 -14.122 8.065 1.00 0.00 C ATOM 1796 C GLU A 111 -17.297 -12.780 8.741 1.00 0.00 C ATOM 1797 O GLU A 111 -18.443 -12.365 8.906 1.00 0.00 O ATOM 1798 CB GLU A 111 -17.199 -15.259 9.069 1.00 0.00 C ATOM 1799 CG GLU A 111 -17.046 -16.633 8.444 1.00 0.00 C ATOM 1800 CD GLU A 111 -17.269 -17.754 9.433 1.00 0.00 C ATOM 1801 OE1 GLU A 111 -18.442 -18.087 9.706 1.00 0.00 O ATOM 1802 OE2 GLU A 111 -16.274 -18.307 9.942 1.00 0.00 O ATOM 0 H GLU A 111 -15.066 -14.795 7.944 1.00 0.00 H new ATOM 0 HA GLU A 111 -17.765 -14.262 7.265 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -16.460 -15.143 9.862 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -18.181 -15.187 9.536 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -17.754 -16.734 7.621 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -16.047 -16.724 8.018 1.00 0.00 H new ATOM 1809 N HIS A 112 -16.222 -12.096 9.122 1.00 0.00 N ATOM 1810 CA HIS A 112 -16.335 -10.749 9.668 1.00 0.00 C ATOM 1811 C HIS A 112 -16.818 -9.814 8.572 1.00 0.00 C ATOM 1812 O HIS A 112 -17.729 -9.010 8.774 1.00 0.00 O ATOM 1813 CB HIS A 112 -14.991 -10.247 10.212 1.00 0.00 C ATOM 1814 CG HIS A 112 -14.462 -11.024 11.382 1.00 0.00 C ATOM 1815 ND1 HIS A 112 -14.089 -10.437 12.573 1.00 0.00 N ATOM 1816 CD2 HIS A 112 -14.219 -12.347 11.529 1.00 0.00 C ATOM 1817 CE1 HIS A 112 -13.641 -11.365 13.397 1.00 0.00 C ATOM 1818 NE2 HIS A 112 -13.712 -12.531 12.786 1.00 0.00 N ATOM 0 H HIS A 112 -15.268 -12.451 9.063 1.00 0.00 H new ATOM 0 HA HIS A 112 -17.044 -10.770 10.495 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -14.254 -10.278 9.409 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -15.100 -9.203 10.505 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -14.393 -13.116 10.790 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -13.278 -11.198 14.400 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -13.433 -13.427 13.186 1.00 0.00 H new ATOM 1827 N HIS A 113 -16.223 -9.968 7.392 1.00 0.00 N ATOM 1828 CA HIS A 113 -16.579 -9.156 6.237 1.00 0.00 C ATOM 1829 C HIS A 113 -17.945 -9.564 5.683 1.00 0.00 C ATOM 1830 O HIS A 113 -18.523 -8.867 4.851 1.00 0.00 O ATOM 1831 CB HIS A 113 -15.507 -9.272 5.150 1.00 0.00 C ATOM 1832 CG HIS A 113 -15.621 -8.207 4.108 1.00 0.00 C ATOM 1833 ND1 HIS A 113 -16.001 -8.451 2.808 1.00 0.00 N ATOM 1834 CD2 HIS A 113 -15.428 -6.874 4.195 1.00 0.00 C ATOM 1835 CE1 HIS A 113 -16.040 -7.314 2.145 1.00 0.00 C ATOM 1836 NE2 HIS A 113 -15.701 -6.332 2.963 1.00 0.00 N ATOM 0 H HIS A 113 -15.488 -10.652 7.212 1.00 0.00 H new ATOM 0 HA HIS A 113 -16.639 -8.116 6.559 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -14.521 -9.218 5.611 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -15.583 -10.249 4.674 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -15.115 -6.331 5.075 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -16.305 -7.202 1.104 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -15.651 -5.342 2.721 1.00 0.00 H new ATOM 1845 N HIS A 114 -18.455 -10.703 6.132 1.00 0.00 N ATOM 1846 CA HIS A 114 -19.814 -11.104 5.790 1.00 0.00 C ATOM 1847 C HIS A 114 -20.814 -10.232 6.531 1.00 0.00 C ATOM 1848 O HIS A 114 -21.928 -10.015 6.066 1.00 0.00 O ATOM 1849 CB HIS A 114 -20.068 -12.579 6.114 1.00 0.00 C ATOM 1850 CG HIS A 114 -19.582 -13.525 5.061 1.00 0.00 C ATOM 1851 ND1 HIS A 114 -19.480 -14.881 5.259 1.00 0.00 N ATOM 1852 CD2 HIS A 114 -19.191 -13.302 3.785 1.00 0.00 C ATOM 1853 CE1 HIS A 114 -19.045 -15.454 4.153 1.00 0.00 C ATOM 1854 NE2 HIS A 114 -18.863 -14.517 3.240 1.00 0.00 N ATOM 0 H HIS A 114 -17.954 -11.361 6.729 1.00 0.00 H new ATOM 0 HA HIS A 114 -19.939 -10.972 4.715 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -19.582 -12.822 7.059 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -21.138 -12.730 6.258 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -19.146 -12.344 3.288 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -18.868 -16.511 4.017 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -18.533 -14.672 2.287 1.00 0.00 H new ATOM 1863 N HIS A 115 -20.394 -9.720 7.680 1.00 0.00 N ATOM 1864 CA HIS A 115 -21.245 -8.856 8.484 1.00 0.00 C ATOM 1865 C HIS A 115 -21.210 -7.436 7.946 1.00 0.00 C ATOM 1866 O HIS A 115 -22.248 -6.795 7.794 1.00 0.00 O ATOM 1867 CB HIS A 115 -20.818 -8.888 9.953 1.00 0.00 C ATOM 1868 CG HIS A 115 -21.148 -10.180 10.634 1.00 0.00 C ATOM 1869 ND1 HIS A 115 -20.346 -11.299 10.562 1.00 0.00 N ATOM 1870 CD2 HIS A 115 -22.211 -10.532 11.392 1.00 0.00 C ATOM 1871 CE1 HIS A 115 -20.905 -12.279 11.243 1.00 0.00 C ATOM 1872 NE2 HIS A 115 -22.038 -11.844 11.757 1.00 0.00 N ATOM 0 H HIS A 115 -19.469 -9.888 8.076 1.00 0.00 H new ATOM 0 HA HIS A 115 -22.269 -9.225 8.423 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -19.744 -8.715 10.016 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -21.304 -8.070 10.484 1.00 0.00 H new ATOM 0 HD1 HIS A 115 -19.460 -11.359 10.061 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -23.043 -9.898 11.661 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -20.502 -13.274 11.360 1.00 0.00 H new ATOM 1881 N HIS A 116 -20.016 -6.948 7.646 1.00 0.00 N ATOM 1882 CA HIS A 116 -19.874 -5.651 7.008 1.00 0.00 C ATOM 1883 C HIS A 116 -19.090 -5.793 5.714 1.00 0.00 C ATOM 1884 O HIS A 116 -17.925 -6.176 5.724 1.00 0.00 O ATOM 1885 CB HIS A 116 -19.183 -4.639 7.932 1.00 0.00 C ATOM 1886 CG HIS A 116 -19.083 -3.267 7.327 1.00 0.00 C ATOM 1887 ND1 HIS A 116 -19.922 -2.229 7.664 1.00 0.00 N ATOM 1888 CD2 HIS A 116 -18.260 -2.781 6.369 1.00 0.00 C ATOM 1889 CE1 HIS A 116 -19.625 -1.170 6.937 1.00 0.00 C ATOM 1890 NE2 HIS A 116 -18.618 -1.475 6.137 1.00 0.00 N ATOM 0 H HIS A 116 -19.136 -7.429 7.833 1.00 0.00 H new ATOM 0 HA HIS A 116 -20.873 -5.275 6.790 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -19.733 -4.577 8.871 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -18.182 -4.998 8.172 1.00 0.00 H new ATOM 0 HD1 HIS A 116 -20.659 -2.272 8.367 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -17.466 -3.322 5.876 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -20.122 -0.212 6.987 1.00 0.00 H new ATOM 1899 N HIS A 117 -19.733 -5.476 4.607 1.00 0.00 N ATOM 1900 CA HIS A 117 -19.087 -5.548 3.308 1.00 0.00 C ATOM 1901 C HIS A 117 -18.410 -4.225 2.979 1.00 0.00 C ATOM 1902 O HIS A 117 -17.160 -4.184 2.950 1.00 0.00 O ATOM 1903 CB HIS A 117 -20.097 -5.924 2.222 1.00 0.00 C ATOM 1904 CG HIS A 117 -20.596 -7.333 2.332 1.00 0.00 C ATOM 1905 ND1 HIS A 117 -20.328 -8.298 1.389 1.00 0.00 N ATOM 1906 CD2 HIS A 117 -21.362 -7.934 3.274 1.00 0.00 C ATOM 1907 CE1 HIS A 117 -20.906 -9.430 1.743 1.00 0.00 C ATOM 1908 NE2 HIS A 117 -21.541 -9.238 2.886 1.00 0.00 N ATOM 1909 OXT HIS A 117 -19.123 -3.222 2.791 1.00 0.00 O ATOM 0 H HIS A 117 -20.704 -5.165 4.580 1.00 0.00 H new ATOM 0 HA HIS A 117 -18.324 -6.326 3.345 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -20.945 -5.241 2.274 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -19.636 -5.786 1.244 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -21.759 -7.472 4.166 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -20.867 -10.358 1.191 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -22.075 -9.942 3.395 1.00 0.00 H new TER 1918 HIS A 117