USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 956 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 76 TYR OH : rot 110:sc= -0.771 USER MOD Set 1.2: A 102 MET CE :methyl 173:sc= -0.363 (180deg=-0.574) USER MOD Set 2.1: A 71 THR OG1 : rot 141:sc= 1.25 USER MOD Set 2.2: A 111 ASN : amide:sc= -0.505 K(o=0.74,f=-0.39!) USER MOD Set 3.1: A 30 THR OG1 : rot -84:sc= 1.05 USER MOD Set 3.2: A 52 THR OG1 : rot 64:sc= 0.784 USER MOD Set 3.3: A 81 LYS NZ :NH3+ 145:sc= -0.157 (180deg=-0.47) USER MOD Set 4.1: A 22 GLN :FLIP amide:sc= 0.71 F(o=0.14,f=0.71) USER MOD Set 4.2: A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0.354 (180deg=0.354) USER MOD Single : A 2 MET CE :methyl -160:sc= -0.142 (180deg=-0.675) USER MOD Single : A 5 LYS NZ :NH3+ 162:sc= -0.0982 (180deg=-0.498) USER MOD Single : A 12 LYS NZ :NH3+ 163:sc= -0.0675 (180deg=-0.31) USER MOD Single : A 13 ASN :FLIP amide:sc= -4.83 F(o=-8.2!,f=-4.8) USER MOD Single : A 14 THR OG1 : rot 82:sc= 1.28 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= -0.0228 USER MOD Single : A 24 HIS : no HE2:sc= -2.56! C(o=-2.6!,f=-7.4!) USER MOD Single : A 27 SER OG : rot 4:sc= 1.09 USER MOD Single : A 29 ASN : amide:sc= -0.376 X(o=-0.38,f=-0.66) USER MOD Single : A 31 ASN : amide:sc= -0.0939 K(o=-0.094,f=-1.3) USER MOD Single : A 35 GLN : amide:sc= -0.024 X(o=-0.024,f=-0.047) USER MOD Single : A 38 ASN : amide:sc=-0.00853 K(o=-0.0085,f=-2.8!) USER MOD Single : A 40 LYS NZ :NH3+ 170:sc= -0.0238 (180deg=-0.168) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0467 USER MOD Single : A 46 LYS NZ :NH3+ 174:sc=-0.00112 (180deg=-0.0745) USER MOD Single : A 48 LYS NZ :NH3+ 166:sc= -0.0913 (180deg=-0.371) USER MOD Single : A 55 SER OG : rot 180:sc= -0.493 USER MOD Single : A 58 ASN : amide:sc= -3.1 K(o=-3.1,f=-7.1!) USER MOD Single : A 63 GLN : amide:sc= -0.617 X(o=-0.62,f=-0.91) USER MOD Single : A 66 ASN : amide:sc=-0.00971 K(o=-0.0097,f=-1.1) USER MOD Single : A 67 MET CE :methyl -160:sc= -0.082 (180deg=-0.51) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 HIS : no HE2:sc= -3.56! C(o=-3.6!,f=-4.8!) USER MOD Single : A 87 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00395) USER MOD Single : A 89 TYR OH : rot -42:sc= 1.46 USER MOD Single : A 92 SER OG : rot -134:sc= -1.37! USER MOD Single : A 95 MET CE :methyl 165:sc= -0.0626 (180deg=-0.39) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -169:sc= 0.37 (180deg=0.316) USER MOD Single : A 108 GLN :FLIP amide:sc=-0.00966 F(o=-1,f=-0.0097) USER MOD Single : A 112 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.104) USER MOD Single : A 115 SER OG : rot 41:sc= 0.608 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 20.781 1.985 5.583 1.00 6.29 N ATOM 2 CA ALA A 1 21.008 3.419 5.314 1.00 5.64 C ATOM 3 C ALA A 1 21.544 4.126 6.558 1.00 5.66 C ATOM 4 O ALA A 1 21.263 5.304 6.781 1.00 5.80 O ATOM 5 CB ALA A 1 19.715 4.068 4.839 1.00 5.37 C ATOM 0 H1 ALA A 1 20.417 1.524 4.725 1.00 6.29 H new ATOM 0 H2 ALA A 1 21.678 1.538 5.862 1.00 6.29 H new ATOM 0 H3 ALA A 1 20.088 1.881 6.352 1.00 6.29 H new ATOM 0 HA ALA A 1 21.757 3.513 4.528 1.00 5.64 H new ATOM 0 HB1 ALA A 1 19.890 5.126 4.642 1.00 5.37 H new ATOM 0 HB2 ALA A 1 19.377 3.580 3.925 1.00 5.37 H new ATOM 0 HB3 ALA A 1 18.951 3.963 5.609 1.00 5.37 H new ATOM 13 N MET A 2 22.335 3.394 7.356 1.00 5.85 N ATOM 14 CA MET A 2 22.918 3.914 8.601 1.00 6.17 C ATOM 15 C MET A 2 21.837 4.198 9.644 1.00 5.91 C ATOM 16 O MET A 2 21.601 3.388 10.539 1.00 6.19 O ATOM 17 CB MET A 2 23.757 5.171 8.340 1.00 6.73 C ATOM 18 CG MET A 2 24.999 4.915 7.503 1.00 7.38 C ATOM 19 SD MET A 2 26.162 3.795 8.311 1.00 8.14 S ATOM 20 CE MET A 2 26.566 4.738 9.778 1.00 8.79 C ATOM 0 H MET A 2 22.588 2.426 7.157 1.00 5.85 H new ATOM 0 HA MET A 2 23.577 3.142 8.998 1.00 6.17 H new ATOM 0 HB2 MET A 2 23.137 5.912 7.836 1.00 6.73 H new ATOM 0 HB3 MET A 2 24.056 5.602 9.295 1.00 6.73 H new ATOM 0 HG2 MET A 2 24.704 4.495 6.541 1.00 7.38 H new ATOM 0 HG3 MET A 2 25.496 5.863 7.298 1.00 7.38 H new ATOM 0 HE1 MET A 2 27.506 4.377 10.195 1.00 8.79 H new ATOM 0 HE2 MET A 2 26.666 5.792 9.517 1.00 8.79 H new ATOM 0 HE3 MET A 2 25.773 4.620 10.516 1.00 8.79 H new ATOM 30 N GLY A 3 21.190 5.347 9.524 1.00 5.74 N ATOM 31 CA GLY A 3 20.082 5.676 10.396 1.00 5.81 C ATOM 32 C GLY A 3 18.798 5.746 9.610 1.00 5.28 C ATOM 33 O GLY A 3 18.139 4.727 9.399 1.00 5.54 O ATOM 0 H GLY A 3 21.415 6.063 8.833 1.00 5.74 H new ATOM 0 HA2 GLY A 3 19.994 4.926 11.182 1.00 5.81 H new ATOM 0 HA3 GLY A 3 20.268 6.631 10.887 1.00 5.81 H new ATOM 37 N CYS A 4 18.448 6.955 9.182 1.00 4.84 N ATOM 38 CA CYS A 4 17.388 7.156 8.202 1.00 4.49 C ATOM 39 C CYS A 4 16.016 6.707 8.702 1.00 4.00 C ATOM 40 O CYS A 4 15.834 6.366 9.870 1.00 4.30 O ATOM 41 CB CYS A 4 17.758 6.428 6.910 1.00 4.71 C ATOM 42 SG CYS A 4 19.067 7.262 5.962 1.00 5.14 S ATOM 0 H CYS A 4 18.888 7.817 9.503 1.00 4.84 H new ATOM 0 HA CYS A 4 17.304 8.227 8.020 1.00 4.49 H new ATOM 0 HB2 CYS A 4 18.083 5.416 7.152 1.00 4.71 H new ATOM 0 HB3 CYS A 4 16.869 6.337 6.286 1.00 4.71 H new ATOM 47 N LYS A 5 15.051 6.741 7.796 1.00 3.56 N ATOM 48 CA LYS A 5 13.681 6.385 8.096 1.00 3.21 C ATOM 49 C LYS A 5 13.382 4.977 7.617 1.00 2.60 C ATOM 50 O LYS A 5 13.807 4.593 6.528 1.00 2.48 O ATOM 51 CB LYS A 5 12.762 7.346 7.397 1.00 3.31 C ATOM 52 CG LYS A 5 11.595 7.843 8.239 1.00 3.91 C ATOM 53 CD LYS A 5 10.609 6.731 8.558 1.00 4.47 C ATOM 54 CE LYS A 5 9.398 7.254 9.312 1.00 5.34 C ATOM 55 NZ LYS A 5 8.682 8.309 8.548 1.00 5.99 N ATOM 0 H LYS A 5 15.202 7.019 6.826 1.00 3.56 H new ATOM 0 HA LYS A 5 13.530 6.431 9.175 1.00 3.21 H new ATOM 0 HB2 LYS A 5 13.344 8.206 7.064 1.00 3.31 H new ATOM 0 HB3 LYS A 5 12.367 6.863 6.503 1.00 3.31 H new ATOM 0 HG2 LYS A 5 11.974 8.269 9.168 1.00 3.91 H new ATOM 0 HG3 LYS A 5 11.080 8.643 7.708 1.00 3.91 H new ATOM 0 HD2 LYS A 5 10.284 6.256 7.632 1.00 4.47 H new ATOM 0 HD3 LYS A 5 11.105 5.964 9.153 1.00 4.47 H new ATOM 0 HE2 LYS A 5 8.716 6.430 9.519 1.00 5.34 H new ATOM 0 HE3 LYS A 5 9.715 7.655 10.275 1.00 5.34 H new ATOM 0 HZ1 LYS A 5 7.722 8.423 8.930 1.00 5.99 H new ATOM 0 HZ2 LYS A 5 9.197 9.208 8.632 1.00 5.99 H new ATOM 0 HZ3 LYS A 5 8.625 8.034 7.547 1.00 5.99 H new ATOM 69 N GLU A 6 12.685 4.199 8.431 1.00 2.54 N ATOM 70 CA GLU A 6 12.105 2.959 7.956 1.00 2.10 C ATOM 71 C GLU A 6 11.180 3.281 6.802 1.00 1.84 C ATOM 72 O GLU A 6 10.271 4.094 6.945 1.00 2.27 O ATOM 73 CB GLU A 6 11.310 2.259 9.051 1.00 2.49 C ATOM 74 CG GLU A 6 12.077 2.125 10.340 1.00 2.96 C ATOM 75 CD GLU A 6 11.884 3.304 11.268 1.00 3.57 C ATOM 76 OE1 GLU A 6 12.649 4.283 11.153 1.00 4.01 O ATOM 77 OE2 GLU A 6 10.972 3.255 12.120 1.00 3.94 O ATOM 0 H GLU A 6 12.510 4.404 9.415 1.00 2.54 H new ATOM 0 HA GLU A 6 12.908 2.291 7.644 1.00 2.10 H new ATOM 0 HB2 GLU A 6 10.391 2.815 9.237 1.00 2.49 H new ATOM 0 HB3 GLU A 6 11.018 1.268 8.704 1.00 2.49 H new ATOM 0 HG2 GLU A 6 11.764 1.214 10.849 1.00 2.96 H new ATOM 0 HG3 GLU A 6 13.138 2.016 10.115 1.00 2.96 H new ATOM 84 N ILE A 7 11.415 2.675 5.666 1.00 1.34 N ATOM 85 CA ILE A 7 10.582 2.942 4.511 1.00 1.10 C ATOM 86 C ILE A 7 9.285 2.176 4.664 1.00 0.99 C ATOM 87 O ILE A 7 9.274 0.947 4.739 1.00 1.30 O ATOM 88 CB ILE A 7 11.288 2.592 3.183 1.00 1.29 C ATOM 89 CG1 ILE A 7 12.522 3.446 2.998 1.00 1.73 C ATOM 90 CG2 ILE A 7 10.379 2.783 1.995 1.00 1.29 C ATOM 91 CD1 ILE A 7 12.294 4.873 3.399 1.00 2.00 C ATOM 0 H ILE A 7 12.165 2.001 5.512 1.00 1.34 H new ATOM 0 HA ILE A 7 10.377 4.012 4.466 1.00 1.10 H new ATOM 0 HB ILE A 7 11.567 1.540 3.240 1.00 1.29 H new ATOM 0 HG12 ILE A 7 13.339 3.032 3.588 1.00 1.73 H new ATOM 0 HG13 ILE A 7 12.833 3.410 1.954 1.00 1.73 H new ATOM 0 HG21 ILE A 7 10.915 2.526 1.082 1.00 1.29 H new ATOM 0 HG22 ILE A 7 9.506 2.138 2.097 1.00 1.29 H new ATOM 0 HG23 ILE A 7 10.058 3.823 1.946 1.00 1.29 H new ATOM 0 HD11 ILE A 7 13.210 5.444 3.247 1.00 2.00 H new ATOM 0 HD12 ILE A 7 11.496 5.299 2.791 1.00 2.00 H new ATOM 0 HD13 ILE A 7 12.010 4.915 4.451 1.00 2.00 H new ATOM 103 N GLU A 8 8.196 2.912 4.768 1.00 0.87 N ATOM 104 CA GLU A 8 6.931 2.316 5.141 1.00 0.93 C ATOM 105 C GLU A 8 5.810 2.646 4.174 1.00 0.86 C ATOM 106 O GLU A 8 5.735 3.748 3.623 1.00 1.29 O ATOM 107 CB GLU A 8 6.547 2.721 6.565 1.00 1.41 C ATOM 108 CG GLU A 8 7.217 3.979 7.064 1.00 1.71 C ATOM 109 CD GLU A 8 6.795 4.340 8.476 1.00 2.31 C ATOM 110 OE1 GLU A 8 5.999 5.290 8.641 1.00 2.70 O ATOM 111 OE2 GLU A 8 7.242 3.672 9.430 1.00 2.71 O ATOM 0 H GLU A 8 8.162 3.918 4.600 1.00 0.87 H new ATOM 0 HA GLU A 8 7.071 1.236 5.098 1.00 0.93 H new ATOM 0 HB2 GLU A 8 5.467 2.858 6.611 1.00 1.41 H new ATOM 0 HB3 GLU A 8 6.793 1.902 7.240 1.00 1.41 H new ATOM 0 HG2 GLU A 8 8.299 3.847 7.034 1.00 1.71 H new ATOM 0 HG3 GLU A 8 6.977 4.805 6.394 1.00 1.71 H new ATOM 118 N ILE A 9 4.938 1.662 3.995 1.00 0.65 N ATOM 119 CA ILE A 9 3.784 1.780 3.123 1.00 0.68 C ATOM 120 C ILE A 9 2.519 1.799 3.970 1.00 0.53 C ATOM 121 O ILE A 9 2.153 0.790 4.569 1.00 0.68 O ATOM 122 CB ILE A 9 3.658 0.603 2.123 1.00 0.91 C ATOM 123 CG1 ILE A 9 4.861 -0.300 2.120 1.00 0.93 C ATOM 124 CG2 ILE A 9 3.448 1.094 0.722 1.00 1.34 C ATOM 125 CD1 ILE A 9 6.021 0.292 1.411 1.00 1.21 C ATOM 0 H ILE A 9 5.015 0.755 4.455 1.00 0.65 H new ATOM 0 HA ILE A 9 3.914 2.701 2.554 1.00 0.68 H new ATOM 0 HB ILE A 9 2.792 0.034 2.463 1.00 0.91 H new ATOM 0 HG12 ILE A 9 5.145 -0.523 3.148 1.00 0.93 H new ATOM 0 HG13 ILE A 9 4.598 -1.247 1.649 1.00 0.93 H new ATOM 0 HG21 ILE A 9 3.364 0.242 0.047 1.00 1.34 H new ATOM 0 HG22 ILE A 9 2.533 1.685 0.677 1.00 1.34 H new ATOM 0 HG23 ILE A 9 4.294 1.712 0.422 1.00 1.34 H new ATOM 0 HD11 ILE A 9 6.860 -0.404 1.441 1.00 1.21 H new ATOM 0 HD12 ILE A 9 5.751 0.490 0.374 1.00 1.21 H new ATOM 0 HD13 ILE A 9 6.306 1.225 1.896 1.00 1.21 H new ATOM 137 N VAL A 10 1.857 2.934 4.024 1.00 0.51 N ATOM 138 CA VAL A 10 0.638 3.055 4.803 1.00 0.46 C ATOM 139 C VAL A 10 -0.558 2.652 3.961 1.00 0.41 C ATOM 140 O VAL A 10 -0.726 3.117 2.834 1.00 0.44 O ATOM 141 CB VAL A 10 0.443 4.482 5.385 1.00 0.61 C ATOM 142 CG1 VAL A 10 1.456 5.461 4.817 1.00 0.92 C ATOM 143 CG2 VAL A 10 -0.968 4.979 5.144 1.00 0.77 C ATOM 0 H VAL A 10 2.139 3.786 3.540 1.00 0.51 H new ATOM 0 HA VAL A 10 0.726 2.379 5.654 1.00 0.46 H new ATOM 0 HB VAL A 10 0.607 4.418 6.461 1.00 0.61 H new ATOM 0 HG11 VAL A 10 1.288 6.448 5.247 1.00 0.92 H new ATOM 0 HG12 VAL A 10 2.464 5.125 5.062 1.00 0.92 H new ATOM 0 HG13 VAL A 10 1.344 5.513 3.734 1.00 0.92 H new ATOM 0 HG21 VAL A 10 -1.077 5.980 5.561 1.00 0.77 H new ATOM 0 HG22 VAL A 10 -1.165 5.009 4.072 1.00 0.77 H new ATOM 0 HG23 VAL A 10 -1.678 4.306 5.625 1.00 0.77 H new ATOM 153 N ILE A 11 -1.353 1.746 4.498 1.00 0.40 N ATOM 154 CA ILE A 11 -2.580 1.348 3.865 1.00 0.40 C ATOM 155 C ILE A 11 -3.737 1.997 4.594 1.00 0.44 C ATOM 156 O ILE A 11 -4.035 1.668 5.744 1.00 0.50 O ATOM 157 CB ILE A 11 -2.755 -0.187 3.862 1.00 0.47 C ATOM 158 CG1 ILE A 11 -1.533 -0.856 3.270 1.00 0.58 C ATOM 159 CG2 ILE A 11 -3.999 -0.580 3.083 1.00 0.53 C ATOM 160 CD1 ILE A 11 -1.281 -0.390 1.879 1.00 0.59 C ATOM 0 H ILE A 11 -1.161 1.272 5.381 1.00 0.40 H new ATOM 0 HA ILE A 11 -2.553 1.673 2.825 1.00 0.40 H new ATOM 0 HB ILE A 11 -2.871 -0.522 4.893 1.00 0.47 H new ATOM 0 HG12 ILE A 11 -0.663 -0.643 3.890 1.00 0.58 H new ATOM 0 HG13 ILE A 11 -1.670 -1.937 3.274 1.00 0.58 H new ATOM 0 HG21 ILE A 11 -4.106 -1.665 3.092 1.00 0.53 H new ATOM 0 HG22 ILE A 11 -4.876 -0.125 3.544 1.00 0.53 H new ATOM 0 HG23 ILE A 11 -3.909 -0.232 2.054 1.00 0.53 H new ATOM 0 HD11 ILE A 11 -0.397 -0.889 1.483 1.00 0.59 H new ATOM 0 HD12 ILE A 11 -2.142 -0.627 1.254 1.00 0.59 H new ATOM 0 HD13 ILE A 11 -1.119 0.688 1.880 1.00 0.59 H new ATOM 172 N LYS A 12 -4.355 2.943 3.934 1.00 0.46 N ATOM 173 CA LYS A 12 -5.456 3.688 4.519 1.00 0.52 C ATOM 174 C LYS A 12 -6.732 3.342 3.788 1.00 0.50 C ATOM 175 O LYS A 12 -6.701 2.995 2.616 1.00 0.62 O ATOM 176 CB LYS A 12 -5.223 5.197 4.393 1.00 0.55 C ATOM 177 CG LYS A 12 -5.427 5.978 5.677 1.00 0.72 C ATOM 178 CD LYS A 12 -6.869 5.954 6.147 1.00 1.32 C ATOM 179 CE LYS A 12 -7.074 6.865 7.347 1.00 1.65 C ATOM 180 NZ LYS A 12 -6.839 8.297 7.012 1.00 2.08 N ATOM 0 H LYS A 12 -4.116 3.222 2.982 1.00 0.46 H new ATOM 0 HA LYS A 12 -5.527 3.423 5.574 1.00 0.52 H new ATOM 0 HB2 LYS A 12 -4.206 5.366 4.039 1.00 0.55 H new ATOM 0 HB3 LYS A 12 -5.896 5.593 3.632 1.00 0.55 H new ATOM 0 HG2 LYS A 12 -4.787 5.564 6.456 1.00 0.72 H new ATOM 0 HG3 LYS A 12 -5.115 7.011 5.524 1.00 0.72 H new ATOM 0 HD2 LYS A 12 -7.524 6.267 5.334 1.00 1.32 H new ATOM 0 HD3 LYS A 12 -7.151 4.934 6.409 1.00 1.32 H new ATOM 0 HE2 LYS A 12 -8.089 6.744 7.724 1.00 1.65 H new ATOM 0 HE3 LYS A 12 -6.399 6.565 8.148 1.00 1.65 H new ATOM 0 HZ1 LYS A 12 -7.258 8.899 7.749 1.00 2.08 H new ATOM 0 HZ2 LYS A 12 -5.816 8.477 6.957 1.00 2.08 H new ATOM 0 HZ3 LYS A 12 -7.279 8.516 6.095 1.00 2.08 H new ATOM 194 N ASN A 13 -7.838 3.424 4.476 1.00 0.55 N ATOM 195 CA ASN A 13 -9.133 3.392 3.835 1.00 0.59 C ATOM 196 C ASN A 13 -9.960 4.488 4.442 1.00 0.58 C ATOM 197 O ASN A 13 -9.861 4.726 5.638 1.00 0.95 O ATOM 198 CB ASN A 13 -9.813 2.044 4.026 1.00 1.01 C ATOM 199 CG ASN A 13 -11.179 1.984 3.382 1.00 2.06 C ATOM 200 OD1 ASN A 13 -12.036 1.174 3.936 1.00 2.81 O flip ATOM 201 ND2 ASN A 13 -11.463 2.658 2.399 1.00 2.71 N flip ATOM 0 H ASN A 13 -7.872 3.515 5.491 1.00 0.55 H new ATOM 0 HA ASN A 13 -9.021 3.539 2.761 1.00 0.59 H new ATOM 0 HB2 ASN A 13 -9.183 1.261 3.605 1.00 1.01 H new ATOM 0 HB3 ASN A 13 -9.909 1.838 5.092 1.00 1.01 H new ATOM 0 HD21 ASN A 13 -10.767 3.282 1.990 1.00 2.71 H new ATOM 0 HD22 ASN A 13 -12.395 2.595 1.989 1.00 2.71 H new ATOM 208 N THR A 14 -10.731 5.189 3.639 1.00 0.47 N ATOM 209 CA THR A 14 -11.489 6.301 4.168 1.00 0.74 C ATOM 210 C THR A 14 -12.407 6.967 3.139 1.00 0.54 C ATOM 211 O THR A 14 -12.231 8.132 2.783 1.00 0.70 O ATOM 212 CB THR A 14 -10.541 7.343 4.790 1.00 1.38 C ATOM 213 OG1 THR A 14 -11.255 8.479 5.288 1.00 1.79 O ATOM 214 CG2 THR A 14 -9.554 7.776 3.756 1.00 1.78 C ATOM 0 H THR A 14 -10.848 5.015 2.641 1.00 0.47 H new ATOM 0 HA THR A 14 -12.143 5.886 4.935 1.00 0.74 H new ATOM 0 HB THR A 14 -10.029 6.883 5.635 1.00 1.38 H new ATOM 0 HG1 THR A 14 -11.617 8.274 6.175 1.00 1.79 H new ATOM 0 HG21 THR A 14 -8.877 8.514 4.186 1.00 1.78 H new ATOM 0 HG22 THR A 14 -8.981 6.913 3.416 1.00 1.78 H new ATOM 0 HG23 THR A 14 -10.082 8.217 2.911 1.00 1.78 H new ATOM 222 N LEU A 15 -13.381 6.232 2.638 1.00 0.49 N ATOM 223 CA LEU A 15 -14.467 6.866 1.925 1.00 0.68 C ATOM 224 C LEU A 15 -15.329 7.611 2.936 1.00 0.84 C ATOM 225 O LEU A 15 -15.868 8.682 2.661 1.00 1.18 O ATOM 226 CB LEU A 15 -15.335 5.872 1.140 1.00 0.88 C ATOM 227 CG LEU A 15 -14.670 5.246 -0.073 1.00 0.97 C ATOM 228 CD1 LEU A 15 -13.361 4.689 0.310 1.00 0.90 C ATOM 229 CD2 LEU A 15 -15.555 4.205 -0.733 1.00 1.39 C ATOM 0 H LEU A 15 -13.442 5.216 2.710 1.00 0.49 H new ATOM 0 HA LEU A 15 -14.035 7.545 1.190 1.00 0.68 H new ATOM 0 HB2 LEU A 15 -15.646 5.075 1.815 1.00 0.88 H new ATOM 0 HB3 LEU A 15 -16.240 6.384 0.814 1.00 0.88 H new ATOM 0 HG LEU A 15 -14.511 6.025 -0.819 1.00 0.97 H new ATOM 0 HD11 LEU A 15 -12.887 4.241 -0.563 1.00 0.90 H new ATOM 0 HD12 LEU A 15 -12.726 5.485 0.699 1.00 0.90 H new ATOM 0 HD13 LEU A 15 -13.500 3.928 1.078 1.00 0.90 H new ATOM 0 HD21 LEU A 15 -15.039 3.784 -1.596 1.00 1.39 H new ATOM 0 HD22 LEU A 15 -15.777 3.411 -0.020 1.00 1.39 H new ATOM 0 HD23 LEU A 15 -16.485 4.671 -1.058 1.00 1.39 H new ATOM 241 N GLY A 16 -15.441 7.009 4.116 1.00 0.72 N ATOM 242 CA GLY A 16 -16.124 7.631 5.224 1.00 0.87 C ATOM 243 C GLY A 16 -16.283 6.686 6.400 1.00 0.77 C ATOM 244 O GLY A 16 -15.697 5.606 6.397 1.00 1.27 O ATOM 0 H GLY A 16 -15.062 6.085 4.321 1.00 0.72 H new ATOM 0 HA2 GLY A 16 -15.569 8.514 5.542 1.00 0.87 H new ATOM 0 HA3 GLY A 16 -17.107 7.972 4.898 1.00 0.87 H new ATOM 248 N PRO A 17 -17.102 7.059 7.402 1.00 0.67 N ATOM 249 CA PRO A 17 -17.123 6.419 8.738 1.00 0.76 C ATOM 250 C PRO A 17 -17.529 4.947 8.755 1.00 0.88 C ATOM 251 O PRO A 17 -17.530 4.308 9.807 1.00 1.27 O ATOM 252 CB PRO A 17 -18.141 7.255 9.524 1.00 1.02 C ATOM 253 CG PRO A 17 -18.286 8.521 8.755 1.00 1.42 C ATOM 254 CD PRO A 17 -18.086 8.147 7.317 1.00 1.13 C ATOM 0 HA PRO A 17 -16.116 6.405 9.154 1.00 0.76 H new ATOM 0 HB2 PRO A 17 -19.095 6.735 9.609 1.00 1.02 H new ATOM 0 HB3 PRO A 17 -17.792 7.449 10.538 1.00 1.02 H new ATOM 0 HG2 PRO A 17 -19.270 8.964 8.911 1.00 1.42 H new ATOM 0 HG3 PRO A 17 -17.550 9.259 9.074 1.00 1.42 H new ATOM 0 HD2 PRO A 17 -19.015 7.818 6.851 1.00 1.13 H new ATOM 0 HD3 PRO A 17 -17.713 8.985 6.728 1.00 1.13 H new ATOM 262 N SER A 18 -17.860 4.412 7.607 1.00 1.06 N ATOM 263 CA SER A 18 -18.220 3.009 7.497 1.00 1.31 C ATOM 264 C SER A 18 -17.396 2.337 6.407 1.00 1.10 C ATOM 265 O SER A 18 -17.928 1.644 5.539 1.00 1.50 O ATOM 266 CB SER A 18 -19.719 2.870 7.223 1.00 1.75 C ATOM 267 OG SER A 18 -20.165 3.863 6.312 1.00 2.18 O ATOM 0 H SER A 18 -17.890 4.926 6.726 1.00 1.06 H new ATOM 0 HA SER A 18 -18.000 2.509 8.441 1.00 1.31 H new ATOM 0 HB2 SER A 18 -19.928 1.880 6.818 1.00 1.75 H new ATOM 0 HB3 SER A 18 -20.272 2.955 8.158 1.00 1.75 H new ATOM 0 HG SER A 18 -21.125 3.752 6.152 1.00 2.18 H new ATOM 273 N ARG A 19 -16.089 2.568 6.442 1.00 0.81 N ATOM 274 CA ARG A 19 -15.196 2.020 5.447 1.00 0.66 C ATOM 275 C ARG A 19 -14.202 1.050 6.032 1.00 0.64 C ATOM 276 O ARG A 19 -13.545 1.300 7.043 1.00 1.02 O ATOM 277 CB ARG A 19 -14.456 3.129 4.733 1.00 0.68 C ATOM 278 CG ARG A 19 -15.238 3.784 3.615 1.00 1.15 C ATOM 279 CD ARG A 19 -15.737 2.764 2.595 1.00 1.94 C ATOM 280 NE ARG A 19 -16.963 2.091 3.017 1.00 2.51 N ATOM 281 CZ ARG A 19 -17.795 1.466 2.187 1.00 3.32 C ATOM 282 NH1 ARG A 19 -17.546 1.428 0.883 1.00 3.76 N ATOM 283 NH2 ARG A 19 -18.881 0.880 2.667 1.00 3.99 N ATOM 0 H ARG A 19 -15.629 3.135 7.155 1.00 0.81 H new ATOM 0 HA ARG A 19 -15.817 1.471 4.739 1.00 0.66 H new ATOM 0 HB2 ARG A 19 -14.179 3.891 5.461 1.00 0.68 H new ATOM 0 HB3 ARG A 19 -13.529 2.726 4.324 1.00 0.68 H new ATOM 0 HG2 ARG A 19 -16.087 4.324 4.034 1.00 1.15 H new ATOM 0 HG3 ARG A 19 -14.608 4.520 3.114 1.00 1.15 H new ATOM 0 HD2 ARG A 19 -15.913 3.266 1.643 1.00 1.94 H new ATOM 0 HD3 ARG A 19 -14.960 2.019 2.424 1.00 1.94 H new ATOM 0 HE ARG A 19 -17.196 2.101 4.010 1.00 2.51 H new ATOM 0 HH11 ARG A 19 -16.711 1.880 0.510 1.00 3.76 H new ATOM 0 HH12 ARG A 19 -18.189 0.947 0.255 1.00 3.76 H new ATOM 0 HH21 ARG A 19 -19.076 0.909 3.668 1.00 3.99 H new ATOM 0 HH22 ARG A 19 -19.522 0.400 2.036 1.00 3.99 H new ATOM 297 N ILE A 20 -14.106 -0.035 5.320 1.00 0.52 N ATOM 298 CA ILE A 20 -13.148 -1.115 5.569 1.00 0.51 C ATOM 299 C ILE A 20 -12.817 -1.814 4.253 1.00 0.54 C ATOM 300 O ILE A 20 -13.710 -2.302 3.566 1.00 0.76 O ATOM 301 CB ILE A 20 -13.662 -2.192 6.558 1.00 0.65 C ATOM 302 CG1 ILE A 20 -13.935 -1.614 7.930 1.00 0.78 C ATOM 303 CG2 ILE A 20 -12.638 -3.302 6.686 1.00 0.72 C ATOM 304 CD1 ILE A 20 -12.733 -1.638 8.820 1.00 0.83 C ATOM 0 H ILE A 20 -14.708 -0.215 4.516 1.00 0.52 H new ATOM 0 HA ILE A 20 -12.274 -0.642 6.017 1.00 0.51 H new ATOM 0 HB ILE A 20 -14.598 -2.582 6.159 1.00 0.65 H new ATOM 0 HG12 ILE A 20 -14.282 -0.586 7.824 1.00 0.78 H new ATOM 0 HG13 ILE A 20 -14.742 -2.175 8.402 1.00 0.78 H new ATOM 0 HG21 ILE A 20 -13.004 -4.056 7.382 1.00 0.72 H new ATOM 0 HG22 ILE A 20 -12.473 -3.759 5.710 1.00 0.72 H new ATOM 0 HG23 ILE A 20 -11.700 -2.890 7.058 1.00 0.72 H new ATOM 0 HD11 ILE A 20 -12.990 -1.211 9.790 1.00 0.83 H new ATOM 0 HD12 ILE A 20 -12.400 -2.667 8.953 1.00 0.83 H new ATOM 0 HD13 ILE A 20 -11.933 -1.053 8.366 1.00 0.83 H new ATOM 316 N LEU A 21 -11.548 -1.819 3.891 1.00 0.50 N ATOM 317 CA LEU A 21 -11.061 -2.642 2.792 1.00 0.55 C ATOM 318 C LEU A 21 -10.150 -3.698 3.397 1.00 0.52 C ATOM 319 O LEU A 21 -9.693 -3.534 4.524 1.00 0.75 O ATOM 320 CB LEU A 21 -10.312 -1.795 1.734 1.00 0.72 C ATOM 321 CG LEU A 21 -11.157 -1.274 0.562 1.00 1.39 C ATOM 322 CD1 LEU A 21 -11.672 -2.429 -0.276 1.00 2.23 C ATOM 323 CD2 LEU A 21 -12.314 -0.416 1.050 1.00 2.20 C ATOM 0 H LEU A 21 -10.827 -1.258 4.345 1.00 0.50 H new ATOM 0 HA LEU A 21 -11.896 -3.108 2.269 1.00 0.55 H new ATOM 0 HB2 LEU A 21 -9.859 -0.940 2.237 1.00 0.72 H new ATOM 0 HB3 LEU A 21 -9.497 -2.395 1.329 1.00 0.72 H new ATOM 0 HG LEU A 21 -10.515 -0.648 -0.058 1.00 1.39 H new ATOM 0 HD11 LEU A 21 -12.269 -2.042 -1.102 1.00 2.23 H new ATOM 0 HD12 LEU A 21 -10.829 -2.996 -0.672 1.00 2.23 H new ATOM 0 HD13 LEU A 21 -12.289 -3.081 0.343 1.00 2.23 H new ATOM 0 HD21 LEU A 21 -12.891 -0.064 0.195 1.00 2.20 H new ATOM 0 HD22 LEU A 21 -12.956 -1.008 1.703 1.00 2.20 H new ATOM 0 HD23 LEU A 21 -11.925 0.439 1.602 1.00 2.20 H new ATOM 335 N GLN A 22 -9.910 -4.783 2.696 1.00 0.47 N ATOM 336 CA GLN A 22 -9.034 -5.817 3.205 1.00 0.47 C ATOM 337 C GLN A 22 -7.854 -6.003 2.260 1.00 0.42 C ATOM 338 O GLN A 22 -8.027 -6.478 1.139 1.00 0.51 O ATOM 339 CB GLN A 22 -9.818 -7.118 3.364 1.00 0.60 C ATOM 340 CG GLN A 22 -8.954 -8.318 3.667 1.00 0.71 C ATOM 341 CD GLN A 22 -9.739 -9.613 3.644 1.00 0.97 C ATOM 342 OE1 GLN A 22 -9.842 -10.216 2.472 1.00 1.69 O flip ATOM 343 NE2 GLN A 22 -10.256 -10.063 4.667 1.00 1.34 N flip ATOM 0 H GLN A 22 -10.306 -4.973 1.776 1.00 0.47 H new ATOM 0 HA GLN A 22 -8.647 -5.525 4.181 1.00 0.47 H new ATOM 0 HB2 GLN A 22 -10.547 -6.996 4.165 1.00 0.60 H new ATOM 0 HB3 GLN A 22 -10.378 -7.308 2.449 1.00 0.60 H new ATOM 0 HG2 GLN A 22 -8.145 -8.373 2.939 1.00 0.71 H new ATOM 0 HG3 GLN A 22 -8.493 -8.193 4.647 1.00 0.71 H new ATOM 0 HE21 GLN A 22 -10.152 -9.566 5.552 1.00 1.34 H new ATOM 0 HE22 GLN A 22 -10.788 -10.933 4.630 1.00 1.34 H new ATOM 352 N TYR A 23 -6.661 -5.612 2.696 1.00 0.42 N ATOM 353 CA TYR A 23 -5.497 -5.674 1.831 1.00 0.42 C ATOM 354 C TYR A 23 -4.655 -6.910 2.120 1.00 0.41 C ATOM 355 O TYR A 23 -4.246 -7.172 3.254 1.00 0.49 O ATOM 356 CB TYR A 23 -4.645 -4.405 1.928 1.00 0.52 C ATOM 357 CG TYR A 23 -3.813 -4.302 3.181 1.00 0.50 C ATOM 358 CD1 TYR A 23 -4.409 -4.019 4.399 1.00 0.54 C ATOM 359 CD2 TYR A 23 -2.444 -4.481 3.146 1.00 0.58 C ATOM 360 CE1 TYR A 23 -3.659 -3.920 5.555 1.00 0.61 C ATOM 361 CE2 TYR A 23 -1.681 -4.384 4.292 1.00 0.63 C ATOM 362 CZ TYR A 23 -2.270 -4.117 5.482 1.00 0.63 C ATOM 363 OH TYR A 23 -1.539 -4.006 6.643 1.00 0.74 O ATOM 0 H TYR A 23 -6.479 -5.253 3.633 1.00 0.42 H new ATOM 0 HA TYR A 23 -5.867 -5.746 0.808 1.00 0.42 H new ATOM 0 HB2 TYR A 23 -3.983 -4.361 1.063 1.00 0.52 H new ATOM 0 HB3 TYR A 23 -5.302 -3.537 1.871 1.00 0.52 H new ATOM 0 HD1 TYR A 23 -5.478 -3.873 4.446 1.00 0.54 H new ATOM 0 HD2 TYR A 23 -1.962 -4.701 2.205 1.00 0.58 H new ATOM 0 HE1 TYR A 23 -4.133 -3.695 6.499 1.00 0.61 H new ATOM 0 HE2 TYR A 23 -0.611 -4.521 4.240 1.00 0.63 H new ATOM 0 HH TYR A 23 -0.592 -4.167 6.450 1.00 0.74 H new ATOM 373 N HIS A 24 -4.430 -7.680 1.079 1.00 0.50 N ATOM 374 CA HIS A 24 -3.555 -8.830 1.151 1.00 0.57 C ATOM 375 C HIS A 24 -2.240 -8.510 0.470 1.00 0.60 C ATOM 376 O HIS A 24 -2.163 -8.494 -0.751 1.00 0.58 O ATOM 377 CB HIS A 24 -4.200 -10.035 0.479 1.00 0.61 C ATOM 378 CG HIS A 24 -3.345 -11.261 0.531 1.00 0.71 C ATOM 379 ND1 HIS A 24 -2.251 -11.365 1.362 1.00 0.75 N ATOM 380 CD2 HIS A 24 -3.416 -12.430 -0.147 1.00 0.85 C ATOM 381 CE1 HIS A 24 -1.687 -12.544 1.195 1.00 0.88 C ATOM 382 NE2 HIS A 24 -2.373 -13.213 0.286 1.00 0.94 N ATOM 0 H HIS A 24 -4.847 -7.528 0.161 1.00 0.50 H new ATOM 0 HA HIS A 24 -3.376 -9.069 2.199 1.00 0.57 H new ATOM 0 HB2 HIS A 24 -5.155 -10.244 0.961 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -4.414 -9.792 -0.562 1.00 0.61 H new ATOM 0 HD1 HIS A 24 -1.928 -10.643 2.006 1.00 0.75 H new ATOM 0 HD2 HIS A 24 -4.154 -12.697 -0.889 1.00 0.85 H new ATOM 0 HE1 HIS A 24 -0.811 -12.903 1.714 1.00 0.88 H new ATOM 391 N CYS A 25 -1.211 -8.260 1.253 1.00 0.71 N ATOM 392 CA CYS A 25 0.046 -7.820 0.688 1.00 0.74 C ATOM 393 C CYS A 25 1.113 -8.924 0.667 1.00 0.91 C ATOM 394 O CYS A 25 1.481 -9.467 1.702 1.00 1.01 O ATOM 395 CB CYS A 25 0.532 -6.586 1.452 1.00 0.79 C ATOM 396 SG CYS A 25 1.236 -5.278 0.404 1.00 1.12 S ATOM 0 H CYS A 25 -1.219 -8.352 2.269 1.00 0.71 H new ATOM 0 HA CYS A 25 -0.125 -7.561 -0.357 1.00 0.74 H new ATOM 0 HB2 CYS A 25 -0.303 -6.171 2.016 1.00 0.79 H new ATOM 0 HB3 CYS A 25 1.284 -6.897 2.178 1.00 0.79 H new ATOM 401 N ARG A 26 1.531 -9.308 -0.547 1.00 1.14 N ATOM 402 CA ARG A 26 2.671 -10.215 -0.746 1.00 1.38 C ATOM 403 C ARG A 26 3.300 -10.090 -2.162 1.00 1.87 C ATOM 404 O ARG A 26 2.785 -10.659 -3.109 1.00 2.24 O ATOM 405 CB ARG A 26 2.288 -11.666 -0.445 1.00 1.45 C ATOM 406 CG ARG A 26 1.046 -12.153 -1.173 1.00 2.13 C ATOM 407 CD ARG A 26 0.871 -13.655 -1.029 1.00 2.66 C ATOM 408 NE ARG A 26 1.934 -14.397 -1.706 1.00 3.26 N ATOM 409 CZ ARG A 26 2.676 -15.340 -1.125 1.00 4.00 C ATOM 410 NH1 ARG A 26 2.506 -15.638 0.158 1.00 4.21 N ATOM 411 NH2 ARG A 26 3.594 -15.981 -1.830 1.00 4.86 N ATOM 0 H ARG A 26 1.091 -9.001 -1.415 1.00 1.14 H new ATOM 0 HA ARG A 26 3.436 -9.906 -0.033 1.00 1.38 H new ATOM 0 HB2 ARG A 26 3.125 -12.312 -0.709 1.00 1.45 H new ATOM 0 HB3 ARG A 26 2.130 -11.772 0.628 1.00 1.45 H new ATOM 0 HG2 ARG A 26 0.167 -11.643 -0.777 1.00 2.13 H new ATOM 0 HG3 ARG A 26 1.116 -11.893 -2.229 1.00 2.13 H new ATOM 0 HD2 ARG A 26 0.861 -13.919 0.028 1.00 2.66 H new ATOM 0 HD3 ARG A 26 -0.095 -13.949 -1.440 1.00 2.66 H new ATOM 0 HE ARG A 26 2.120 -14.179 -2.685 1.00 3.26 H new ATOM 0 HH11 ARG A 26 1.803 -15.144 0.708 1.00 4.21 H new ATOM 0 HH12 ARG A 26 3.078 -16.361 0.594 1.00 4.21 H new ATOM 0 HH21 ARG A 26 3.732 -15.753 -2.815 1.00 4.86 H new ATOM 0 HH22 ARG A 26 4.164 -16.703 -1.389 1.00 4.86 H new ATOM 425 N SER A 27 4.393 -9.309 -2.274 1.00 2.10 N ATOM 426 CA SER A 27 5.260 -9.168 -3.478 1.00 2.66 C ATOM 427 C SER A 27 6.356 -8.147 -3.140 1.00 2.39 C ATOM 428 O SER A 27 6.095 -6.952 -3.199 1.00 2.70 O ATOM 429 CB SER A 27 4.534 -8.689 -4.735 1.00 3.73 C ATOM 430 OG SER A 27 3.594 -9.637 -5.216 1.00 4.43 O ATOM 0 H SER A 27 4.716 -8.731 -1.498 1.00 2.10 H new ATOM 0 HA SER A 27 5.645 -10.161 -3.709 1.00 2.66 H new ATOM 0 HB2 SER A 27 4.021 -7.752 -4.519 1.00 3.73 H new ATOM 0 HB3 SER A 27 5.266 -8.480 -5.515 1.00 3.73 H new ATOM 0 HG SER A 27 3.556 -10.400 -4.602 1.00 4.43 H new ATOM 436 N GLY A 28 7.558 -8.564 -2.776 1.00 2.45 N ATOM 437 CA GLY A 28 8.511 -7.579 -2.289 1.00 2.54 C ATOM 438 C GLY A 28 9.328 -7.997 -1.079 1.00 2.68 C ATOM 439 O GLY A 28 9.571 -7.181 -0.189 1.00 3.22 O ATOM 0 H GLY A 28 7.887 -9.529 -2.805 1.00 2.45 H new ATOM 0 HA2 GLY A 28 9.196 -7.332 -3.100 1.00 2.54 H new ATOM 0 HA3 GLY A 28 7.968 -6.667 -2.041 1.00 2.54 H new ATOM 443 N ASN A 29 9.721 -9.257 -1.028 1.00 2.60 N ATOM 444 CA ASN A 29 10.701 -9.744 -0.050 1.00 2.96 C ATOM 445 C ASN A 29 10.229 -9.755 1.417 1.00 2.76 C ATOM 446 O ASN A 29 10.984 -10.208 2.273 1.00 3.04 O ATOM 447 CB ASN A 29 12.009 -8.957 -0.160 1.00 3.49 C ATOM 448 CG ASN A 29 12.797 -9.310 -1.406 1.00 4.17 C ATOM 449 OD1 ASN A 29 12.598 -8.722 -2.469 1.00 4.66 O ATOM 450 ND2 ASN A 29 13.704 -10.264 -1.279 1.00 4.63 N ATOM 0 H ASN A 29 9.375 -9.979 -1.660 1.00 2.60 H new ATOM 0 HA ASN A 29 10.850 -10.790 -0.317 1.00 2.96 H new ATOM 0 HB2 ASN A 29 11.788 -7.890 -0.164 1.00 3.49 H new ATOM 0 HB3 ASN A 29 12.621 -9.152 0.720 1.00 3.49 H new ATOM 0 HD21 ASN A 29 14.271 -10.538 -2.081 1.00 4.63 H new ATOM 0 HD22 ASN A 29 13.836 -10.725 -0.379 1.00 4.63 H new ATOM 457 N THR A 30 9.001 -9.326 1.748 1.00 2.45 N ATOM 458 CA THR A 30 8.601 -9.352 3.163 1.00 2.33 C ATOM 459 C THR A 30 7.098 -9.669 3.360 1.00 2.07 C ATOM 460 O THR A 30 6.248 -8.849 3.078 1.00 2.10 O ATOM 461 CB THR A 30 8.969 -8.022 3.848 1.00 2.45 C ATOM 462 OG1 THR A 30 10.253 -7.571 3.399 1.00 2.93 O ATOM 463 CG2 THR A 30 9.002 -8.173 5.357 1.00 2.70 C ATOM 0 H THR A 30 8.301 -8.975 1.095 1.00 2.45 H new ATOM 0 HA THR A 30 9.154 -10.166 3.633 1.00 2.33 H new ATOM 0 HB THR A 30 8.205 -7.292 3.581 1.00 2.45 H new ATOM 0 HG1 THR A 30 10.955 -8.008 3.924 1.00 2.93 H new ATOM 0 HG21 THR A 30 9.265 -7.218 5.813 1.00 2.70 H new ATOM 0 HG22 THR A 30 8.021 -8.487 5.713 1.00 2.70 H new ATOM 0 HG23 THR A 30 9.745 -8.922 5.632 1.00 2.70 H new ATOM 471 N ASN A 31 6.798 -10.883 3.845 1.00 1.97 N ATOM 472 CA ASN A 31 5.403 -11.374 4.009 1.00 1.75 C ATOM 473 C ASN A 31 4.596 -10.511 4.978 1.00 1.78 C ATOM 474 O ASN A 31 5.143 -9.949 5.926 1.00 2.34 O ATOM 475 CB ASN A 31 5.399 -12.804 4.560 1.00 2.09 C ATOM 476 CG ASN A 31 4.019 -13.439 4.511 1.00 2.43 C ATOM 477 OD1 ASN A 31 3.217 -13.141 3.625 1.00 2.89 O ATOM 478 ND2 ASN A 31 3.732 -14.309 5.467 1.00 2.98 N ATOM 0 H ASN A 31 7.506 -11.557 4.136 1.00 1.97 H new ATOM 0 HA ASN A 31 4.947 -11.331 3.020 1.00 1.75 H new ATOM 0 HB2 ASN A 31 6.097 -13.414 3.986 1.00 2.09 H new ATOM 0 HB3 ASN A 31 5.756 -12.795 5.590 1.00 2.09 H new ATOM 0 HD21 ASN A 31 2.818 -14.760 5.488 1.00 2.98 H new ATOM 0 HD22 ASN A 31 4.425 -14.528 6.182 1.00 2.98 H new ATOM 485 N VAL A 32 3.290 -10.419 4.735 1.00 1.39 N ATOM 486 CA VAL A 32 2.394 -9.719 5.650 1.00 1.52 C ATOM 487 C VAL A 32 1.290 -10.631 6.160 1.00 1.38 C ATOM 488 O VAL A 32 1.277 -11.029 7.325 1.00 2.10 O ATOM 489 CB VAL A 32 1.704 -8.519 4.990 1.00 2.13 C ATOM 490 CG1 VAL A 32 1.292 -7.487 6.028 1.00 2.68 C ATOM 491 CG2 VAL A 32 2.587 -7.915 3.937 1.00 2.64 C ATOM 0 H VAL A 32 2.831 -10.819 3.916 1.00 1.39 H new ATOM 0 HA VAL A 32 3.031 -9.382 6.468 1.00 1.52 H new ATOM 0 HB VAL A 32 0.795 -8.873 4.503 1.00 2.13 H new ATOM 0 HG11 VAL A 32 0.805 -6.647 5.533 1.00 2.68 H new ATOM 0 HG12 VAL A 32 0.600 -7.941 6.737 1.00 2.68 H new ATOM 0 HG13 VAL A 32 2.175 -7.133 6.559 1.00 2.68 H new ATOM 0 HG21 VAL A 32 2.080 -7.065 3.480 1.00 2.64 H new ATOM 0 HG22 VAL A 32 3.519 -7.580 4.392 1.00 2.64 H new ATOM 0 HG23 VAL A 32 2.804 -8.661 3.173 1.00 2.64 H new ATOM 501 N GLY A 33 0.358 -10.951 5.272 1.00 1.00 N ATOM 502 CA GLY A 33 -0.852 -11.599 5.660 1.00 1.43 C ATOM 503 C GLY A 33 -2.001 -10.892 5.006 1.00 0.99 C ATOM 504 O GLY A 33 -1.845 -10.346 3.905 1.00 1.13 O ATOM 0 H GLY A 33 0.434 -10.763 4.272 1.00 1.00 H new ATOM 0 HA2 GLY A 33 -0.833 -12.647 5.362 1.00 1.43 H new ATOM 0 HA3 GLY A 33 -0.962 -11.578 6.744 1.00 1.43 H new ATOM 508 N VAL A 34 -3.138 -10.861 5.662 1.00 0.80 N ATOM 509 CA VAL A 34 -4.319 -10.263 5.076 1.00 0.56 C ATOM 510 C VAL A 34 -5.089 -9.450 6.122 1.00 0.63 C ATOM 511 O VAL A 34 -5.937 -9.984 6.837 1.00 1.03 O ATOM 512 CB VAL A 34 -5.228 -11.345 4.486 1.00 0.89 C ATOM 513 CG1 VAL A 34 -6.349 -10.704 3.688 1.00 1.17 C ATOM 514 CG2 VAL A 34 -4.405 -12.290 3.623 1.00 1.06 C ATOM 0 H VAL A 34 -3.272 -11.241 6.599 1.00 0.80 H new ATOM 0 HA VAL A 34 -4.000 -9.593 4.277 1.00 0.56 H new ATOM 0 HB VAL A 34 -5.679 -11.923 5.292 1.00 0.89 H new ATOM 0 HG11 VAL A 34 -6.990 -11.481 3.272 1.00 1.17 H new ATOM 0 HG12 VAL A 34 -6.937 -10.059 4.341 1.00 1.17 H new ATOM 0 HG13 VAL A 34 -5.926 -10.111 2.877 1.00 1.17 H new ATOM 0 HG21 VAL A 34 -5.054 -13.059 3.204 1.00 1.06 H new ATOM 0 HG22 VAL A 34 -3.938 -11.729 2.813 1.00 1.06 H new ATOM 0 HG23 VAL A 34 -3.633 -12.759 4.232 1.00 1.06 H new ATOM 524 N GLN A 35 -4.773 -8.167 6.216 1.00 0.63 N ATOM 525 CA GLN A 35 -5.358 -7.291 7.226 1.00 0.85 C ATOM 526 C GLN A 35 -6.423 -6.371 6.639 1.00 0.70 C ATOM 527 O GLN A 35 -6.513 -6.204 5.423 1.00 0.82 O ATOM 528 CB GLN A 35 -4.266 -6.454 7.863 1.00 1.45 C ATOM 529 CG GLN A 35 -3.709 -7.062 9.132 1.00 2.06 C ATOM 530 CD GLN A 35 -3.146 -8.456 8.949 1.00 2.71 C ATOM 531 OE1 GLN A 35 -3.859 -9.448 9.085 1.00 3.16 O ATOM 532 NE2 GLN A 35 -1.857 -8.541 8.658 1.00 3.28 N ATOM 0 H GLN A 35 -4.107 -7.703 5.598 1.00 0.63 H new ATOM 0 HA GLN A 35 -5.839 -7.922 7.973 1.00 0.85 H new ATOM 0 HB2 GLN A 35 -3.456 -6.320 7.146 1.00 1.45 H new ATOM 0 HB3 GLN A 35 -4.661 -5.463 8.086 1.00 1.45 H new ATOM 0 HG2 GLN A 35 -2.925 -6.412 9.521 1.00 2.06 H new ATOM 0 HG3 GLN A 35 -4.497 -7.095 9.884 1.00 2.06 H new ATOM 0 HE21 GLN A 35 -1.301 -7.692 8.554 1.00 3.28 H new ATOM 0 HE22 GLN A 35 -1.420 -9.455 8.538 1.00 3.28 H new ATOM 541 N TYR A 36 -7.222 -5.768 7.513 1.00 0.78 N ATOM 542 CA TYR A 36 -8.232 -4.805 7.094 1.00 0.73 C ATOM 543 C TYR A 36 -7.722 -3.386 7.291 1.00 0.78 C ATOM 544 O TYR A 36 -7.087 -3.080 8.301 1.00 1.06 O ATOM 545 CB TYR A 36 -9.535 -4.981 7.880 1.00 0.94 C ATOM 546 CG TYR A 36 -10.187 -6.329 7.694 1.00 1.62 C ATOM 547 CD1 TYR A 36 -9.655 -7.449 8.304 1.00 2.09 C ATOM 548 CD2 TYR A 36 -11.328 -6.483 6.917 1.00 2.13 C ATOM 549 CE1 TYR A 36 -10.238 -8.690 8.150 1.00 3.04 C ATOM 550 CE2 TYR A 36 -11.919 -7.716 6.757 1.00 3.13 C ATOM 551 CZ TYR A 36 -11.402 -8.797 7.331 1.00 3.57 C ATOM 552 OH TYR A 36 -11.960 -10.053 7.218 1.00 4.60 O ATOM 0 H TYR A 36 -7.189 -5.931 8.519 1.00 0.78 H new ATOM 0 HA TYR A 36 -8.434 -4.984 6.038 1.00 0.73 H new ATOM 0 HB2 TYR A 36 -9.331 -4.831 8.940 1.00 0.94 H new ATOM 0 HB3 TYR A 36 -10.237 -4.204 7.578 1.00 0.94 H new ATOM 0 HD1 TYR A 36 -8.768 -7.351 8.912 1.00 2.09 H new ATOM 0 HD2 TYR A 36 -11.759 -5.621 6.430 1.00 2.13 H new ATOM 0 HE1 TYR A 36 -9.823 -9.560 8.638 1.00 3.04 H new ATOM 0 HE2 TYR A 36 -12.813 -7.806 6.158 1.00 3.13 H new ATOM 0 HH TYR A 36 -12.748 -10.010 6.638 1.00 4.60 H new ATOM 562 N LEU A 37 -8.005 -2.533 6.327 1.00 0.72 N ATOM 563 CA LEU A 37 -7.670 -1.124 6.426 1.00 0.89 C ATOM 564 C LEU A 37 -8.935 -0.344 6.733 1.00 0.70 C ATOM 565 O LEU A 37 -9.916 -0.397 5.983 1.00 0.61 O ATOM 566 CB LEU A 37 -6.990 -0.597 5.149 1.00 1.23 C ATOM 567 CG LEU A 37 -7.653 -0.981 3.821 1.00 1.93 C ATOM 568 CD1 LEU A 37 -7.344 0.048 2.750 1.00 2.72 C ATOM 569 CD2 LEU A 37 -7.159 -2.338 3.356 1.00 2.57 C ATOM 0 H LEU A 37 -8.471 -2.793 5.458 1.00 0.72 H new ATOM 0 HA LEU A 37 -6.948 -0.991 7.232 1.00 0.89 H new ATOM 0 HB2 LEU A 37 -6.946 0.491 5.208 1.00 1.23 H new ATOM 0 HB3 LEU A 37 -5.961 -0.957 5.135 1.00 1.23 H new ATOM 0 HG LEU A 37 -8.730 -1.019 3.985 1.00 1.93 H new ATOM 0 HD11 LEU A 37 -7.824 -0.244 1.816 1.00 2.72 H new ATOM 0 HD12 LEU A 37 -7.720 1.022 3.062 1.00 2.72 H new ATOM 0 HD13 LEU A 37 -6.266 0.106 2.601 1.00 2.72 H new ATOM 0 HD21 LEU A 37 -7.639 -2.596 2.412 1.00 2.57 H new ATOM 0 HD22 LEU A 37 -6.079 -2.304 3.216 1.00 2.57 H new ATOM 0 HD23 LEU A 37 -7.404 -3.091 4.105 1.00 2.57 H new ATOM 581 N ASN A 38 -8.916 0.357 7.848 1.00 0.78 N ATOM 582 CA ASN A 38 -10.110 0.987 8.368 1.00 0.73 C ATOM 583 C ASN A 38 -10.139 2.458 8.016 1.00 0.68 C ATOM 584 O ASN A 38 -9.097 3.084 7.820 1.00 0.75 O ATOM 585 CB ASN A 38 -10.167 0.852 9.895 1.00 0.94 C ATOM 586 CG ASN A 38 -9.499 -0.410 10.416 1.00 1.62 C ATOM 587 OD1 ASN A 38 -10.118 -1.469 10.500 1.00 2.32 O ATOM 588 ND2 ASN A 38 -8.234 -0.300 10.797 1.00 2.29 N ATOM 0 H ASN A 38 -8.080 0.505 8.414 1.00 0.78 H new ATOM 0 HA ASN A 38 -10.967 0.486 7.918 1.00 0.73 H new ATOM 0 HB2 ASN A 38 -9.688 1.721 10.347 1.00 0.94 H new ATOM 0 HB3 ASN A 38 -11.209 0.861 10.214 1.00 0.94 H new ATOM 0 HD21 ASN A 38 -7.743 -1.110 11.174 1.00 2.29 H new ATOM 0 HD22 ASN A 38 -7.752 0.595 10.713 1.00 2.29 H new ATOM 595 N PHE A 39 -11.340 3.003 7.929 1.00 0.68 N ATOM 596 CA PHE A 39 -11.503 4.443 7.858 1.00 0.72 C ATOM 597 C PHE A 39 -10.976 5.049 9.148 1.00 0.83 C ATOM 598 O PHE A 39 -11.325 4.579 10.232 1.00 1.66 O ATOM 599 CB PHE A 39 -12.960 4.816 7.613 1.00 0.85 C ATOM 600 CG PHE A 39 -13.296 6.230 8.026 1.00 1.07 C ATOM 601 CD1 PHE A 39 -13.121 7.292 7.151 1.00 1.35 C ATOM 602 CD2 PHE A 39 -13.781 6.495 9.298 1.00 1.43 C ATOM 603 CE1 PHE A 39 -13.425 8.586 7.538 1.00 1.80 C ATOM 604 CE2 PHE A 39 -14.086 7.785 9.689 1.00 1.87 C ATOM 605 CZ PHE A 39 -13.908 8.831 8.807 1.00 2.03 C ATOM 0 H PHE A 39 -12.211 2.473 7.906 1.00 0.68 H new ATOM 0 HA PHE A 39 -10.936 4.841 7.017 1.00 0.72 H new ATOM 0 HB2 PHE A 39 -13.186 4.692 6.554 1.00 0.85 H new ATOM 0 HB3 PHE A 39 -13.601 4.124 8.159 1.00 0.85 H new ATOM 0 HD1 PHE A 39 -12.743 7.107 6.156 1.00 1.35 H new ATOM 0 HD2 PHE A 39 -13.922 5.681 9.994 1.00 1.43 H new ATOM 0 HE1 PHE A 39 -13.284 9.404 6.847 1.00 1.80 H new ATOM 0 HE2 PHE A 39 -14.463 7.974 10.683 1.00 1.87 H new ATOM 0 HZ PHE A 39 -14.146 9.840 9.109 1.00 2.03 H new ATOM 615 N LYS A 40 -10.102 6.051 9.017 1.00 0.86 N ATOM 616 CA LYS A 40 -9.446 6.689 10.164 1.00 0.97 C ATOM 617 C LYS A 40 -8.366 5.773 10.752 1.00 0.72 C ATOM 618 O LYS A 40 -7.685 6.129 11.715 1.00 1.17 O ATOM 619 CB LYS A 40 -10.480 7.060 11.233 1.00 1.52 C ATOM 620 CG LYS A 40 -9.967 7.977 12.330 1.00 2.18 C ATOM 621 CD LYS A 40 -9.468 9.298 11.773 1.00 2.89 C ATOM 622 CE LYS A 40 -9.150 10.280 12.885 1.00 3.36 C ATOM 623 NZ LYS A 40 -8.158 9.732 13.848 1.00 3.76 N ATOM 0 H LYS A 40 -9.829 6.443 8.116 1.00 0.86 H new ATOM 0 HA LYS A 40 -8.963 7.603 9.818 1.00 0.97 H new ATOM 0 HB2 LYS A 40 -11.328 7.540 10.745 1.00 1.52 H new ATOM 0 HB3 LYS A 40 -10.852 6.144 11.691 1.00 1.52 H new ATOM 0 HG2 LYS A 40 -10.764 8.164 13.050 1.00 2.18 H new ATOM 0 HG3 LYS A 40 -9.160 7.482 12.870 1.00 2.18 H new ATOM 0 HD2 LYS A 40 -8.576 9.127 11.170 1.00 2.89 H new ATOM 0 HD3 LYS A 40 -10.223 9.725 11.113 1.00 2.89 H new ATOM 0 HE2 LYS A 40 -8.764 11.203 12.453 1.00 3.36 H new ATOM 0 HE3 LYS A 40 -10.067 10.536 13.416 1.00 3.36 H new ATOM 0 HZ1 LYS A 40 -7.843 10.488 14.489 1.00 3.76 H new ATOM 0 HZ2 LYS A 40 -8.597 8.969 14.402 1.00 3.76 H new ATOM 0 HZ3 LYS A 40 -7.340 9.356 13.327 1.00 3.76 H new ATOM 637 N GLY A 41 -8.191 4.603 10.147 1.00 0.71 N ATOM 638 CA GLY A 41 -7.255 3.636 10.674 1.00 1.13 C ATOM 639 C GLY A 41 -6.241 3.168 9.651 1.00 0.94 C ATOM 640 O GLY A 41 -6.554 2.373 8.764 1.00 1.09 O ATOM 0 H GLY A 41 -8.682 4.310 9.302 1.00 0.71 H new ATOM 0 HA2 GLY A 41 -6.730 4.074 11.523 1.00 1.13 H new ATOM 0 HA3 GLY A 41 -7.806 2.774 11.050 1.00 1.13 H new ATOM 644 N THR A 42 -5.024 3.659 9.785 1.00 0.82 N ATOM 645 CA THR A 42 -3.927 3.276 8.909 1.00 0.68 C ATOM 646 C THR A 42 -3.351 1.922 9.314 1.00 0.65 C ATOM 647 O THR A 42 -3.270 1.596 10.499 1.00 0.75 O ATOM 648 CB THR A 42 -2.802 4.321 8.962 1.00 0.69 C ATOM 649 OG1 THR A 42 -2.700 4.869 10.283 1.00 0.81 O ATOM 650 CG2 THR A 42 -3.036 5.429 7.959 1.00 0.71 C ATOM 0 H THR A 42 -4.765 4.335 10.504 1.00 0.82 H new ATOM 0 HA THR A 42 -4.326 3.213 7.897 1.00 0.68 H new ATOM 0 HB THR A 42 -1.867 3.823 8.705 1.00 0.69 H new ATOM 0 HG1 THR A 42 -1.979 5.533 10.307 1.00 0.81 H new ATOM 0 HG21 THR A 42 -2.223 6.153 8.020 1.00 0.71 H new ATOM 0 HG22 THR A 42 -3.072 5.008 6.954 1.00 0.71 H new ATOM 0 HG23 THR A 42 -3.981 5.925 8.179 1.00 0.71 H new ATOM 658 N ARG A 43 -2.959 1.140 8.327 1.00 0.58 N ATOM 659 CA ARG A 43 -2.242 -0.100 8.564 1.00 0.58 C ATOM 660 C ARG A 43 -0.938 -0.020 7.812 1.00 0.52 C ATOM 661 O ARG A 43 -0.926 -0.052 6.584 1.00 0.50 O ATOM 662 CB ARG A 43 -3.043 -1.316 8.111 1.00 0.67 C ATOM 663 CG ARG A 43 -4.313 -1.566 8.914 1.00 0.86 C ATOM 664 CD ARG A 43 -4.061 -1.480 10.413 1.00 1.27 C ATOM 665 NE ARG A 43 -2.890 -2.251 10.834 1.00 1.59 N ATOM 666 CZ ARG A 43 -1.972 -1.797 11.689 1.00 2.26 C ATOM 667 NH1 ARG A 43 -2.094 -0.584 12.216 1.00 2.74 N ATOM 668 NH2 ARG A 43 -0.933 -2.554 12.013 1.00 3.01 N ATOM 0 H ARG A 43 -3.127 1.344 7.342 1.00 0.58 H new ATOM 0 HA ARG A 43 -2.070 -0.222 9.633 1.00 0.58 H new ATOM 0 HB2 ARG A 43 -3.310 -1.190 7.062 1.00 0.67 H new ATOM 0 HB3 ARG A 43 -2.407 -2.199 8.175 1.00 0.67 H new ATOM 0 HG2 ARG A 43 -5.072 -0.836 8.631 1.00 0.86 H new ATOM 0 HG3 ARG A 43 -4.710 -2.551 8.668 1.00 0.86 H new ATOM 0 HD2 ARG A 43 -3.924 -0.436 10.695 1.00 1.27 H new ATOM 0 HD3 ARG A 43 -4.940 -1.842 10.946 1.00 1.27 H new ATOM 0 HE ARG A 43 -2.769 -3.189 10.452 1.00 1.59 H new ATOM 0 HH11 ARG A 43 -2.891 0.002 11.967 1.00 2.74 H new ATOM 0 HH12 ARG A 43 -1.391 -0.239 12.870 1.00 2.74 H new ATOM 0 HH21 ARG A 43 -0.835 -3.485 11.608 1.00 3.01 H new ATOM 0 HH22 ARG A 43 -0.232 -2.205 12.667 1.00 3.01 H new ATOM 682 N ILE A 44 0.158 0.118 8.528 1.00 0.52 N ATOM 683 CA ILE A 44 1.381 0.517 7.877 1.00 0.51 C ATOM 684 C ILE A 44 2.412 -0.586 7.801 1.00 0.58 C ATOM 685 O ILE A 44 2.837 -1.167 8.801 1.00 0.66 O ATOM 686 CB ILE A 44 2.008 1.768 8.516 1.00 0.53 C ATOM 687 CG1 ILE A 44 1.006 2.909 8.515 1.00 0.56 C ATOM 688 CG2 ILE A 44 3.232 2.195 7.735 1.00 0.59 C ATOM 689 CD1 ILE A 44 0.129 2.973 9.744 1.00 0.61 C ATOM 0 H ILE A 44 0.226 -0.036 9.534 1.00 0.52 H new ATOM 0 HA ILE A 44 1.080 0.758 6.858 1.00 0.51 H new ATOM 0 HB ILE A 44 2.292 1.526 9.540 1.00 0.53 H new ATOM 0 HG12 ILE A 44 1.547 3.851 8.420 1.00 0.56 H new ATOM 0 HG13 ILE A 44 0.370 2.817 7.635 1.00 0.56 H new ATOM 0 HG21 ILE A 44 3.667 3.081 8.197 1.00 0.59 H new ATOM 0 HG22 ILE A 44 3.965 1.388 7.737 1.00 0.59 H new ATOM 0 HG23 ILE A 44 2.947 2.424 6.708 1.00 0.59 H new ATOM 0 HD11 ILE A 44 -0.556 3.817 9.659 1.00 0.61 H new ATOM 0 HD12 ILE A 44 -0.443 2.049 9.831 1.00 0.61 H new ATOM 0 HD13 ILE A 44 0.752 3.099 10.629 1.00 0.61 H new ATOM 701 N ILE A 45 2.787 -0.849 6.573 1.00 0.61 N ATOM 702 CA ILE A 45 3.899 -1.697 6.235 1.00 0.74 C ATOM 703 C ILE A 45 5.188 -0.976 6.505 1.00 0.77 C ATOM 704 O ILE A 45 5.203 0.241 6.472 1.00 0.79 O ATOM 705 CB ILE A 45 3.833 -1.998 4.768 1.00 0.95 C ATOM 706 CG1 ILE A 45 2.640 -2.846 4.504 1.00 1.11 C ATOM 707 CG2 ILE A 45 5.090 -2.657 4.247 1.00 1.62 C ATOM 708 CD1 ILE A 45 2.422 -3.033 3.049 1.00 1.20 C ATOM 0 H ILE A 45 2.310 -0.466 5.757 1.00 0.61 H new ATOM 0 HA ILE A 45 3.855 -2.611 6.828 1.00 0.74 H new ATOM 0 HB ILE A 45 3.747 -1.053 4.232 1.00 0.95 H new ATOM 0 HG12 ILE A 45 2.769 -3.817 4.982 1.00 1.11 H new ATOM 0 HG13 ILE A 45 1.758 -2.386 4.950 1.00 1.11 H new ATOM 0 HG21 ILE A 45 4.984 -2.851 3.180 1.00 1.62 H new ATOM 0 HG22 ILE A 45 5.942 -1.998 4.413 1.00 1.62 H new ATOM 0 HG23 ILE A 45 5.252 -3.598 4.772 1.00 1.62 H new ATOM 0 HD11 ILE A 45 1.543 -3.657 2.890 1.00 1.20 H new ATOM 0 HD12 ILE A 45 2.268 -2.063 2.576 1.00 1.20 H new ATOM 0 HD13 ILE A 45 3.294 -3.517 2.610 1.00 1.20 H new ATOM 720 N LYS A 46 6.269 -1.691 6.740 1.00 0.90 N ATOM 721 CA LYS A 46 7.545 -1.016 6.866 1.00 0.97 C ATOM 722 C LYS A 46 8.735 -1.961 6.766 1.00 1.10 C ATOM 723 O LYS A 46 8.629 -3.159 7.041 1.00 1.20 O ATOM 724 CB LYS A 46 7.611 -0.237 8.186 1.00 1.10 C ATOM 725 CG LYS A 46 7.479 -1.103 9.428 1.00 1.35 C ATOM 726 CD LYS A 46 7.494 -0.255 10.687 1.00 1.85 C ATOM 727 CE LYS A 46 7.164 -1.074 11.924 1.00 2.11 C ATOM 728 NZ LYS A 46 8.107 -2.205 12.112 1.00 2.65 N ATOM 0 H LYS A 46 6.294 -2.705 6.845 1.00 0.90 H new ATOM 0 HA LYS A 46 7.612 -0.327 6.024 1.00 0.97 H new ATOM 0 HB2 LYS A 46 8.558 0.301 8.231 1.00 1.10 H new ATOM 0 HB3 LYS A 46 6.819 0.512 8.193 1.00 1.10 H new ATOM 0 HG2 LYS A 46 6.552 -1.674 9.381 1.00 1.35 H new ATOM 0 HG3 LYS A 46 8.296 -1.824 9.461 1.00 1.35 H new ATOM 0 HD2 LYS A 46 8.476 0.202 10.805 1.00 1.85 H new ATOM 0 HD3 LYS A 46 6.774 0.557 10.586 1.00 1.85 H new ATOM 0 HE2 LYS A 46 7.191 -0.430 12.803 1.00 2.11 H new ATOM 0 HE3 LYS A 46 6.148 -1.459 11.843 1.00 2.11 H new ATOM 0 HZ1 LYS A 46 7.909 -2.675 13.018 1.00 2.65 H new ATOM 0 HZ2 LYS A 46 7.990 -2.887 11.336 1.00 2.65 H new ATOM 0 HZ3 LYS A 46 9.083 -1.846 12.114 1.00 2.65 H new ATOM 742 N PHE A 47 9.867 -1.392 6.370 1.00 1.20 N ATOM 743 CA PHE A 47 11.148 -2.104 6.352 1.00 1.41 C ATOM 744 C PHE A 47 12.271 -1.119 6.663 1.00 1.59 C ATOM 745 O PHE A 47 12.352 -0.052 6.054 1.00 1.68 O ATOM 746 CB PHE A 47 11.423 -2.814 5.009 1.00 1.50 C ATOM 747 CG PHE A 47 10.439 -2.535 3.926 1.00 1.87 C ATOM 748 CD1 PHE A 47 10.419 -1.329 3.251 1.00 2.53 C ATOM 749 CD2 PHE A 47 9.541 -3.510 3.577 1.00 2.17 C ATOM 750 CE1 PHE A 47 9.504 -1.108 2.240 1.00 3.14 C ATOM 751 CE2 PHE A 47 8.626 -3.302 2.576 1.00 2.69 C ATOM 752 CZ PHE A 47 8.603 -2.100 1.902 1.00 3.10 C ATOM 0 H PHE A 47 9.928 -0.425 6.052 1.00 1.20 H new ATOM 0 HA PHE A 47 11.101 -2.884 7.112 1.00 1.41 H new ATOM 0 HB2 PHE A 47 12.414 -2.524 4.660 1.00 1.50 H new ATOM 0 HB3 PHE A 47 11.449 -3.889 5.185 1.00 1.50 H new ATOM 0 HD1 PHE A 47 11.123 -0.554 3.516 1.00 2.53 H new ATOM 0 HD2 PHE A 47 9.554 -4.456 4.098 1.00 2.17 H new ATOM 0 HE1 PHE A 47 9.493 -0.164 1.716 1.00 3.14 H new ATOM 0 HE2 PHE A 47 7.924 -4.080 2.316 1.00 2.69 H new ATOM 0 HZ PHE A 47 7.884 -1.934 1.113 1.00 3.10 H new ATOM 762 N LYS A 48 13.131 -1.466 7.612 1.00 1.83 N ATOM 763 CA LYS A 48 14.169 -0.549 8.066 1.00 2.13 C ATOM 764 C LYS A 48 15.562 -1.082 7.752 1.00 2.50 C ATOM 765 O LYS A 48 16.110 -1.898 8.499 1.00 3.01 O ATOM 766 CB LYS A 48 14.037 -0.294 9.560 1.00 2.46 C ATOM 767 CG LYS A 48 15.196 0.500 10.135 1.00 3.10 C ATOM 768 CD LYS A 48 15.045 0.734 11.626 1.00 3.81 C ATOM 769 CE LYS A 48 16.240 1.486 12.181 1.00 4.36 C ATOM 770 NZ LYS A 48 16.463 2.776 11.473 1.00 4.90 N ATOM 0 H LYS A 48 13.131 -2.372 8.081 1.00 1.83 H new ATOM 0 HA LYS A 48 14.036 0.390 7.528 1.00 2.13 H new ATOM 0 HB2 LYS A 48 13.107 0.243 9.750 1.00 2.46 H new ATOM 0 HB3 LYS A 48 13.966 -1.249 10.080 1.00 2.46 H new ATOM 0 HG2 LYS A 48 16.128 -0.032 9.945 1.00 3.10 H new ATOM 0 HG3 LYS A 48 15.266 1.460 9.623 1.00 3.10 H new ATOM 0 HD2 LYS A 48 14.133 1.299 11.819 1.00 3.81 H new ATOM 0 HD3 LYS A 48 14.942 -0.222 12.139 1.00 3.81 H new ATOM 0 HE2 LYS A 48 16.087 1.677 13.243 1.00 4.36 H new ATOM 0 HE3 LYS A 48 17.132 0.865 12.094 1.00 4.36 H new ATOM 0 HZ1 LYS A 48 17.124 3.363 12.021 1.00 4.90 H new ATOM 0 HZ2 LYS A 48 16.863 2.590 10.531 1.00 4.90 H new ATOM 0 HZ3 LYS A 48 15.557 3.277 11.371 1.00 4.90 H new ATOM 784 N ASP A 49 16.124 -0.613 6.637 1.00 2.76 N ATOM 785 CA ASP A 49 17.451 -0.989 6.170 1.00 3.32 C ATOM 786 C ASP A 49 17.576 -2.478 5.836 1.00 3.36 C ATOM 787 O ASP A 49 18.551 -2.896 5.213 1.00 3.77 O ATOM 788 CB ASP A 49 18.515 -0.617 7.192 1.00 4.26 C ATOM 789 CG ASP A 49 18.385 0.791 7.742 1.00 4.93 C ATOM 790 OD1 ASP A 49 18.598 1.756 6.972 1.00 5.45 O ATOM 791 OD2 ASP A 49 18.049 0.936 8.932 1.00 5.24 O ATOM 0 H ASP A 49 15.656 0.053 6.023 1.00 2.76 H new ATOM 0 HA ASP A 49 17.606 -0.429 5.248 1.00 3.32 H new ATOM 0 HB2 ASP A 49 18.470 -1.324 8.020 1.00 4.26 H new ATOM 0 HB3 ASP A 49 19.498 -0.726 6.733 1.00 4.26 H new ATOM 796 N ASP A 50 16.599 -3.270 6.242 1.00 3.50 N ATOM 797 CA ASP A 50 16.663 -4.715 6.076 1.00 3.96 C ATOM 798 C ASP A 50 16.298 -5.145 4.663 1.00 4.13 C ATOM 799 O ASP A 50 17.176 -5.459 3.856 1.00 4.41 O ATOM 800 CB ASP A 50 15.780 -5.434 7.114 1.00 4.66 C ATOM 801 CG ASP A 50 14.414 -4.791 7.316 1.00 5.23 C ATOM 802 OD1 ASP A 50 14.242 -4.056 8.309 1.00 5.65 O ATOM 803 OD2 ASP A 50 13.507 -5.017 6.489 1.00 5.56 O ATOM 0 H ASP A 50 15.747 -2.936 6.692 1.00 3.50 H new ATOM 0 HA ASP A 50 17.699 -5.009 6.246 1.00 3.96 H new ATOM 0 HB2 ASP A 50 15.641 -6.469 6.803 1.00 4.66 H new ATOM 0 HB3 ASP A 50 16.305 -5.456 8.069 1.00 4.66 H new ATOM 808 N GLY A 51 15.016 -5.155 4.361 1.00 4.42 N ATOM 809 CA GLY A 51 14.563 -5.634 3.080 1.00 5.01 C ATOM 810 C GLY A 51 14.122 -7.074 3.180 1.00 5.12 C ATOM 811 O GLY A 51 13.055 -7.435 2.681 1.00 5.72 O ATOM 0 H GLY A 51 14.275 -4.837 4.985 1.00 4.42 H new ATOM 0 HA2 GLY A 51 13.736 -5.018 2.726 1.00 5.01 H new ATOM 0 HA3 GLY A 51 15.364 -5.543 2.347 1.00 5.01 H new ATOM 815 N THR A 52 14.961 -7.880 3.839 1.00 4.86 N ATOM 816 CA THR A 52 14.673 -9.281 4.172 1.00 5.25 C ATOM 817 C THR A 52 14.371 -10.147 2.949 1.00 5.04 C ATOM 818 O THR A 52 14.309 -9.676 1.814 1.00 4.76 O ATOM 819 CB THR A 52 13.502 -9.406 5.163 1.00 5.76 C ATOM 820 OG1 THR A 52 12.269 -9.036 4.537 1.00 5.54 O ATOM 821 CG2 THR A 52 13.729 -8.541 6.390 1.00 6.40 C ATOM 0 H THR A 52 15.878 -7.572 4.163 1.00 4.86 H new ATOM 0 HA THR A 52 15.590 -9.649 4.633 1.00 5.25 H new ATOM 0 HB THR A 52 13.446 -10.449 5.476 1.00 5.76 H new ATOM 0 HG1 THR A 52 12.072 -9.660 3.808 1.00 5.54 H new ATOM 0 HG21 THR A 52 12.886 -8.649 7.072 1.00 6.40 H new ATOM 0 HG22 THR A 52 14.645 -8.854 6.892 1.00 6.40 H new ATOM 0 HG23 THR A 52 13.820 -7.498 6.088 1.00 6.40 H new ATOM 829 N GLU A 53 14.227 -11.436 3.200 1.00 5.50 N ATOM 830 CA GLU A 53 13.727 -12.368 2.226 1.00 5.71 C ATOM 831 C GLU A 53 12.612 -13.180 2.868 1.00 5.89 C ATOM 832 O GLU A 53 12.422 -14.364 2.588 1.00 6.33 O ATOM 833 CB GLU A 53 14.857 -13.261 1.731 1.00 6.53 C ATOM 834 CG GLU A 53 15.838 -12.533 0.826 1.00 6.78 C ATOM 835 CD GLU A 53 16.835 -13.459 0.176 1.00 7.39 C ATOM 836 OE1 GLU A 53 16.563 -13.944 -0.944 1.00 7.81 O ATOM 837 OE2 GLU A 53 17.895 -13.714 0.786 1.00 7.67 O ATOM 0 H GLU A 53 14.459 -11.862 4.098 1.00 5.50 H new ATOM 0 HA GLU A 53 13.328 -11.840 1.360 1.00 5.71 H new ATOM 0 HB2 GLU A 53 15.394 -13.666 2.588 1.00 6.53 H new ATOM 0 HB3 GLU A 53 14.433 -14.108 1.191 1.00 6.53 H new ATOM 0 HG2 GLU A 53 15.285 -12.002 0.052 1.00 6.78 H new ATOM 0 HG3 GLU A 53 16.373 -11.782 1.408 1.00 6.78 H new ATOM 844 N ARG A 54 11.892 -12.500 3.753 1.00 5.89 N ATOM 845 CA ARG A 54 10.796 -13.078 4.513 1.00 6.41 C ATOM 846 C ARG A 54 9.701 -13.596 3.580 1.00 5.90 C ATOM 847 O ARG A 54 9.185 -14.695 3.779 1.00 6.48 O ATOM 848 CB ARG A 54 10.274 -12.010 5.476 1.00 7.06 C ATOM 849 CG ARG A 54 9.019 -12.374 6.245 1.00 7.90 C ATOM 850 CD ARG A 54 8.685 -11.274 7.238 1.00 8.75 C ATOM 851 NE ARG A 54 7.362 -11.423 7.830 1.00 9.31 N ATOM 852 CZ ARG A 54 6.777 -10.476 8.559 1.00 10.15 C ATOM 853 NH1 ARG A 54 7.415 -9.336 8.801 1.00 10.53 N ATOM 854 NH2 ARG A 54 5.558 -10.667 9.051 1.00 10.77 N ATOM 0 H ARG A 54 12.058 -11.516 3.964 1.00 5.89 H new ATOM 0 HA ARG A 54 11.141 -13.939 5.086 1.00 6.41 H new ATOM 0 HB2 ARG A 54 11.062 -11.777 6.192 1.00 7.06 H new ATOM 0 HB3 ARG A 54 10.079 -11.100 4.909 1.00 7.06 H new ATOM 0 HG2 ARG A 54 8.188 -12.518 5.555 1.00 7.90 H new ATOM 0 HG3 ARG A 54 9.164 -13.318 6.770 1.00 7.90 H new ATOM 0 HD2 ARG A 54 9.433 -11.269 8.031 1.00 8.75 H new ATOM 0 HD3 ARG A 54 8.746 -10.308 6.736 1.00 8.75 H new ATOM 0 HE ARG A 54 6.859 -12.297 7.678 1.00 9.31 H new ATOM 0 HH11 ARG A 54 8.353 -9.187 8.428 1.00 10.53 H new ATOM 0 HH12 ARG A 54 6.967 -8.610 9.360 1.00 10.53 H new ATOM 0 HH21 ARG A 54 5.067 -11.542 8.871 1.00 10.77 H new ATOM 0 HH22 ARG A 54 5.113 -9.938 9.609 1.00 10.77 H new ATOM 868 N SER A 55 9.365 -12.801 2.562 1.00 5.08 N ATOM 869 CA SER A 55 8.484 -13.227 1.491 1.00 4.86 C ATOM 870 C SER A 55 8.295 -12.088 0.523 1.00 3.87 C ATOM 871 O SER A 55 9.064 -11.992 -0.435 1.00 3.94 O ATOM 872 CB SER A 55 7.126 -13.722 1.983 1.00 5.52 C ATOM 873 OG SER A 55 6.409 -14.368 0.946 1.00 6.28 O ATOM 0 H SER A 55 9.701 -11.843 2.464 1.00 5.08 H new ATOM 0 HA SER A 55 8.961 -14.076 1.002 1.00 4.86 H new ATOM 0 HB2 SER A 55 7.267 -14.412 2.815 1.00 5.52 H new ATOM 0 HB3 SER A 55 6.545 -12.881 2.361 1.00 5.52 H new ATOM 0 HG SER A 55 5.544 -14.676 1.289 1.00 6.28 H new ATOM 879 N ARG A 56 7.305 -11.197 0.785 1.00 3.37 N ATOM 880 CA ARG A 56 6.943 -10.173 -0.156 1.00 2.70 C ATOM 881 C ARG A 56 5.675 -9.383 0.264 1.00 2.24 C ATOM 882 O ARG A 56 4.853 -9.921 0.997 1.00 2.47 O ATOM 883 CB ARG A 56 6.736 -10.991 -1.390 1.00 3.43 C ATOM 884 CG ARG A 56 5.605 -12.006 -1.309 1.00 4.15 C ATOM 885 CD ARG A 56 5.595 -12.939 -2.510 1.00 4.75 C ATOM 886 NE ARG A 56 6.758 -13.822 -2.530 1.00 5.53 N ATOM 887 CZ ARG A 56 7.288 -14.339 -3.640 1.00 6.18 C ATOM 888 NH1 ARG A 56 6.763 -14.063 -4.830 1.00 6.21 N ATOM 889 NH2 ARG A 56 8.344 -15.133 -3.558 1.00 7.08 N ATOM 0 H ARG A 56 6.759 -11.189 1.647 1.00 3.37 H new ATOM 0 HA ARG A 56 7.685 -9.381 -0.261 1.00 2.70 H new ATOM 0 HB2 ARG A 56 6.540 -10.318 -2.225 1.00 3.43 H new ATOM 0 HB3 ARG A 56 7.662 -11.519 -1.617 1.00 3.43 H new ATOM 0 HG2 ARG A 56 5.707 -12.591 -0.395 1.00 4.15 H new ATOM 0 HG3 ARG A 56 4.651 -11.483 -1.248 1.00 4.15 H new ATOM 0 HD2 ARG A 56 4.685 -13.539 -2.495 1.00 4.75 H new ATOM 0 HD3 ARG A 56 5.572 -12.349 -3.426 1.00 4.75 H new ATOM 0 HE ARG A 56 7.193 -14.059 -1.638 1.00 5.53 H new ATOM 0 HH11 ARG A 56 5.949 -13.452 -4.899 1.00 6.21 H new ATOM 0 HH12 ARG A 56 7.174 -14.462 -5.674 1.00 6.21 H new ATOM 0 HH21 ARG A 56 8.751 -15.348 -2.648 1.00 7.08 H new ATOM 0 HH22 ARG A 56 8.751 -15.529 -4.405 1.00 7.08 H new ATOM 903 N TRP A 57 5.522 -8.091 -0.183 1.00 1.83 N ATOM 904 CA TRP A 57 4.241 -7.364 -0.025 1.00 1.49 C ATOM 905 C TRP A 57 3.842 -6.498 -1.238 1.00 1.19 C ATOM 906 O TRP A 57 4.395 -5.425 -1.470 1.00 1.43 O ATOM 907 CB TRP A 57 4.156 -6.491 1.237 1.00 1.69 C ATOM 908 CG TRP A 57 5.432 -6.229 1.996 1.00 1.83 C ATOM 909 CD1 TRP A 57 6.705 -6.187 1.504 1.00 1.56 C ATOM 910 CD2 TRP A 57 5.542 -5.932 3.403 1.00 2.78 C ATOM 911 NE1 TRP A 57 7.594 -5.948 2.517 1.00 1.85 N ATOM 912 CE2 TRP A 57 6.899 -5.770 3.691 1.00 2.70 C ATOM 913 CE3 TRP A 57 4.624 -5.803 4.450 1.00 3.91 C ATOM 914 CZ2 TRP A 57 7.359 -5.487 4.981 1.00 3.65 C ATOM 915 CZ3 TRP A 57 5.079 -5.522 5.722 1.00 4.90 C ATOM 916 CH2 TRP A 57 6.438 -5.367 5.977 1.00 4.75 C ATOM 0 H TRP A 57 6.258 -7.555 -0.642 1.00 1.83 H new ATOM 0 HA TRP A 57 3.532 -8.186 0.067 1.00 1.49 H new ATOM 0 HB2 TRP A 57 3.733 -5.528 0.951 1.00 1.69 H new ATOM 0 HB3 TRP A 57 3.449 -6.959 1.922 1.00 1.69 H new ATOM 0 HD1 TRP A 57 6.972 -6.323 0.466 1.00 1.56 H new ATOM 0 HE1 TRP A 57 8.608 -5.908 2.418 1.00 1.85 H new ATOM 0 HE3 TRP A 57 3.567 -5.922 4.264 1.00 3.91 H new ATOM 0 HZ2 TRP A 57 8.413 -5.367 5.181 1.00 3.65 H new ATOM 0 HZ3 TRP A 57 4.370 -5.421 6.531 1.00 4.90 H new ATOM 0 HH2 TRP A 57 6.768 -5.148 6.982 1.00 4.75 H new ATOM 927 N ASN A 58 2.894 -7.020 -2.023 1.00 0.91 N ATOM 928 CA ASN A 58 2.040 -6.218 -2.907 1.00 0.71 C ATOM 929 C ASN A 58 0.619 -6.404 -2.416 1.00 0.59 C ATOM 930 O ASN A 58 0.178 -7.541 -2.246 1.00 0.71 O ATOM 931 CB ASN A 58 2.143 -6.662 -4.372 1.00 0.74 C ATOM 932 CG ASN A 58 0.982 -6.191 -5.238 1.00 1.23 C ATOM 933 OD1 ASN A 58 0.408 -5.129 -5.020 1.00 2.05 O ATOM 934 ND2 ASN A 58 0.630 -6.988 -6.233 1.00 1.91 N ATOM 0 H ASN A 58 2.696 -8.020 -2.063 1.00 0.91 H new ATOM 0 HA ASN A 58 2.354 -5.175 -2.876 1.00 0.71 H new ATOM 0 HB2 ASN A 58 3.075 -6.284 -4.792 1.00 0.74 H new ATOM 0 HB3 ASN A 58 2.195 -7.750 -4.410 1.00 0.74 H new ATOM 0 HD21 ASN A 58 -0.141 -6.726 -6.848 1.00 1.91 H new ATOM 0 HD22 ASN A 58 1.129 -7.864 -6.386 1.00 1.91 H new ATOM 941 N CYS A 59 -0.093 -5.320 -2.177 1.00 0.55 N ATOM 942 CA CYS A 59 -1.337 -5.410 -1.443 1.00 0.50 C ATOM 943 C CYS A 59 -2.514 -5.511 -2.390 1.00 0.44 C ATOM 944 O CYS A 59 -2.567 -4.841 -3.420 1.00 0.56 O ATOM 945 CB CYS A 59 -1.529 -4.209 -0.515 1.00 0.60 C ATOM 946 SG CYS A 59 -0.090 -3.742 0.522 1.00 0.76 S ATOM 0 H CYS A 59 0.165 -4.380 -2.476 1.00 0.55 H new ATOM 0 HA CYS A 59 -1.287 -6.313 -0.834 1.00 0.50 H new ATOM 0 HB2 CYS A 59 -1.806 -3.348 -1.123 1.00 0.60 H new ATOM 0 HB3 CYS A 59 -2.372 -4.418 0.144 1.00 0.60 H new ATOM 951 N LEU A 60 -3.459 -6.356 -2.032 1.00 0.36 N ATOM 952 CA LEU A 60 -4.631 -6.569 -2.828 1.00 0.34 C ATOM 953 C LEU A 60 -5.816 -6.212 -1.975 1.00 0.29 C ATOM 954 O LEU A 60 -5.994 -6.788 -0.908 1.00 0.32 O ATOM 955 CB LEU A 60 -4.721 -8.034 -3.261 1.00 0.44 C ATOM 956 CG LEU A 60 -3.501 -8.582 -4.005 1.00 1.27 C ATOM 957 CD1 LEU A 60 -3.648 -10.078 -4.235 1.00 1.90 C ATOM 958 CD2 LEU A 60 -3.312 -7.861 -5.330 1.00 1.85 C ATOM 0 H LEU A 60 -3.428 -6.912 -1.177 1.00 0.36 H new ATOM 0 HA LEU A 60 -4.600 -5.956 -3.729 1.00 0.34 H new ATOM 0 HB2 LEU A 60 -4.888 -8.646 -2.375 1.00 0.44 H new ATOM 0 HB3 LEU A 60 -5.596 -8.152 -3.900 1.00 0.44 H new ATOM 0 HG LEU A 60 -2.618 -8.408 -3.389 1.00 1.27 H new ATOM 0 HD11 LEU A 60 -2.772 -10.452 -4.765 1.00 1.90 H new ATOM 0 HD12 LEU A 60 -3.736 -10.587 -3.275 1.00 1.90 H new ATOM 0 HD13 LEU A 60 -4.541 -10.269 -4.830 1.00 1.90 H new ATOM 0 HD21 LEU A 60 -2.440 -8.265 -5.843 1.00 1.85 H new ATOM 0 HD22 LEU A 60 -4.196 -8.003 -5.951 1.00 1.85 H new ATOM 0 HD23 LEU A 60 -3.164 -6.797 -5.147 1.00 1.85 H new ATOM 970 N PHE A 61 -6.625 -5.287 -2.423 1.00 0.29 N ATOM 971 CA PHE A 61 -7.730 -4.845 -1.601 1.00 0.28 C ATOM 972 C PHE A 61 -8.978 -5.594 -2.022 1.00 0.37 C ATOM 973 O PHE A 61 -9.415 -5.462 -3.153 1.00 0.48 O ATOM 974 CB PHE A 61 -8.014 -3.349 -1.781 1.00 0.32 C ATOM 975 CG PHE A 61 -7.014 -2.371 -1.238 1.00 0.30 C ATOM 976 CD1 PHE A 61 -5.727 -2.809 -1.050 1.00 0.59 C ATOM 977 CD2 PHE A 61 -7.339 -1.080 -0.848 1.00 0.54 C ATOM 978 CE1 PHE A 61 -4.777 -2.004 -0.493 1.00 0.63 C ATOM 979 CE2 PHE A 61 -6.384 -0.253 -0.300 1.00 0.57 C ATOM 980 CZ PHE A 61 -5.247 -0.426 -0.360 1.00 0.37 C ATOM 0 H PHE A 61 -6.546 -4.831 -3.332 1.00 0.29 H new ATOM 0 HA PHE A 61 -7.466 -5.035 -0.561 1.00 0.28 H new ATOM 0 HB2 PHE A 61 -8.124 -3.156 -2.848 1.00 0.32 H new ATOM 0 HB3 PHE A 61 -8.977 -3.134 -1.317 1.00 0.32 H new ATOM 0 HD1 PHE A 61 -5.461 -3.812 -1.349 1.00 0.59 H new ATOM 0 HD2 PHE A 61 -8.349 -0.721 -0.975 1.00 0.54 H new ATOM 0 HE1 PHE A 61 -3.811 -2.364 -0.170 1.00 0.63 H new ATOM 0 HE2 PHE A 61 -6.728 0.625 0.226 1.00 0.57 H new ATOM 0 HZ PHE A 61 -4.537 0.387 -0.331 1.00 0.37 H new ATOM 990 N ARG A 62 -9.548 -6.363 -1.114 1.00 0.47 N ATOM 991 CA ARG A 62 -10.715 -7.175 -1.426 1.00 0.66 C ATOM 992 C ARG A 62 -11.722 -7.091 -0.287 1.00 0.89 C ATOM 993 O ARG A 62 -11.411 -7.460 0.842 1.00 1.05 O ATOM 994 CB ARG A 62 -10.296 -8.631 -1.637 1.00 0.84 C ATOM 995 CG ARG A 62 -11.417 -9.531 -2.131 1.00 1.49 C ATOM 996 CD ARG A 62 -10.957 -10.977 -2.236 1.00 1.88 C ATOM 997 NE ARG A 62 -9.809 -11.125 -3.133 1.00 2.29 N ATOM 998 CZ ARG A 62 -8.805 -11.980 -2.925 1.00 2.86 C ATOM 999 NH1 ARG A 62 -8.830 -12.800 -1.879 1.00 3.11 N ATOM 1000 NH2 ARG A 62 -7.791 -12.033 -3.776 1.00 3.63 N ATOM 0 H ARG A 62 -9.223 -6.444 -0.151 1.00 0.47 H new ATOM 0 HA ARG A 62 -11.174 -6.799 -2.340 1.00 0.66 H new ATOM 0 HB2 ARG A 62 -9.476 -8.662 -2.354 1.00 0.84 H new ATOM 0 HB3 ARG A 62 -9.913 -9.028 -0.697 1.00 0.84 H new ATOM 0 HG2 ARG A 62 -12.266 -9.465 -1.451 1.00 1.49 H new ATOM 0 HG3 ARG A 62 -11.762 -9.185 -3.105 1.00 1.49 H new ATOM 0 HD2 ARG A 62 -10.692 -11.346 -1.245 1.00 1.88 H new ATOM 0 HD3 ARG A 62 -11.780 -11.594 -2.596 1.00 1.88 H new ATOM 0 HE ARG A 62 -9.774 -10.539 -3.967 1.00 2.29 H new ATOM 0 HH11 ARG A 62 -9.618 -12.777 -1.232 1.00 3.11 H new ATOM 0 HH12 ARG A 62 -8.061 -13.452 -1.723 1.00 3.11 H new ATOM 0 HH21 ARG A 62 -7.777 -11.420 -4.591 1.00 3.63 H new ATOM 0 HH22 ARG A 62 -7.025 -12.687 -3.616 1.00 3.63 H new ATOM 1014 N GLN A 63 -12.918 -6.607 -0.574 1.00 1.13 N ATOM 1015 CA GLN A 63 -13.944 -6.473 0.451 1.00 1.48 C ATOM 1016 C GLN A 63 -15.326 -6.573 -0.193 1.00 2.09 C ATOM 1017 O GLN A 63 -15.536 -7.390 -1.090 1.00 2.68 O ATOM 1018 CB GLN A 63 -13.778 -5.132 1.181 1.00 1.69 C ATOM 1019 CG GLN A 63 -14.381 -5.098 2.580 1.00 2.15 C ATOM 1020 CD GLN A 63 -13.696 -6.050 3.537 1.00 2.52 C ATOM 1021 OE1 GLN A 63 -12.714 -5.695 4.179 1.00 3.00 O ATOM 1022 NE2 GLN A 63 -14.225 -7.257 3.657 1.00 3.03 N ATOM 0 H GLN A 63 -13.204 -6.301 -1.504 1.00 1.13 H new ATOM 0 HA GLN A 63 -13.841 -7.276 1.180 1.00 1.48 H new ATOM 0 HB2 GLN A 63 -12.715 -4.899 1.251 1.00 1.69 H new ATOM 0 HB3 GLN A 63 -14.238 -4.346 0.581 1.00 1.69 H new ATOM 0 HG2 GLN A 63 -14.316 -4.084 2.974 1.00 2.15 H new ATOM 0 HG3 GLN A 63 -15.440 -5.349 2.521 1.00 2.15 H new ATOM 0 HE21 GLN A 63 -15.043 -7.513 3.104 1.00 3.03 H new ATOM 0 HE22 GLN A 63 -13.815 -7.932 4.303 1.00 3.03 H new ATOM 1031 N GLY A 64 -16.263 -5.755 0.270 1.00 2.55 N ATOM 1032 CA GLY A 64 -17.578 -5.715 -0.326 1.00 3.28 C ATOM 1033 C GLY A 64 -18.412 -6.937 -0.014 1.00 3.41 C ATOM 1034 O GLY A 64 -19.090 -6.992 1.013 1.00 3.88 O ATOM 0 H GLY A 64 -16.131 -5.115 1.054 1.00 2.55 H new ATOM 0 HA2 GLY A 64 -18.102 -4.826 0.026 1.00 3.28 H new ATOM 0 HA3 GLY A 64 -17.477 -5.619 -1.407 1.00 3.28 H new ATOM 1038 N ILE A 65 -18.352 -7.927 -0.892 1.00 3.49 N ATOM 1039 CA ILE A 65 -19.236 -9.075 -0.801 1.00 3.94 C ATOM 1040 C ILE A 65 -18.571 -10.356 -1.325 1.00 4.01 C ATOM 1041 O ILE A 65 -18.421 -11.332 -0.587 1.00 4.32 O ATOM 1042 CB ILE A 65 -20.549 -8.780 -1.549 1.00 4.22 C ATOM 1043 CG1 ILE A 65 -21.400 -10.042 -1.730 1.00 4.91 C ATOM 1044 CG2 ILE A 65 -20.239 -8.121 -2.869 1.00 3.92 C ATOM 1045 CD1 ILE A 65 -21.964 -10.590 -0.436 1.00 5.57 C ATOM 0 H ILE A 65 -17.699 -7.957 -1.675 1.00 3.49 H new ATOM 0 HA ILE A 65 -19.460 -9.250 0.251 1.00 3.94 H new ATOM 0 HB ILE A 65 -21.146 -8.095 -0.947 1.00 4.22 H new ATOM 0 HG12 ILE A 65 -22.223 -9.819 -2.409 1.00 4.91 H new ATOM 0 HG13 ILE A 65 -20.794 -10.812 -2.206 1.00 4.91 H new ATOM 0 HG21 ILE A 65 -21.169 -7.912 -3.399 1.00 3.92 H new ATOM 0 HG22 ILE A 65 -19.704 -7.188 -2.693 1.00 3.92 H new ATOM 0 HG23 ILE A 65 -19.620 -8.786 -3.471 1.00 3.92 H new ATOM 0 HD11 ILE A 65 -22.554 -11.482 -0.645 1.00 5.57 H new ATOM 0 HD12 ILE A 65 -21.146 -10.846 0.238 1.00 5.57 H new ATOM 0 HD13 ILE A 65 -22.598 -9.837 0.032 1.00 5.57 H new ATOM 1057 N ASN A 66 -18.182 -10.350 -2.592 1.00 4.06 N ATOM 1058 CA ASN A 66 -17.531 -11.499 -3.210 1.00 4.27 C ATOM 1059 C ASN A 66 -16.075 -11.174 -3.514 1.00 4.09 C ATOM 1060 O ASN A 66 -15.466 -10.360 -2.823 1.00 4.26 O ATOM 1061 CB ASN A 66 -18.266 -11.912 -4.491 1.00 4.76 C ATOM 1062 CG ASN A 66 -19.648 -12.470 -4.219 1.00 5.45 C ATOM 1063 OD1 ASN A 66 -19.900 -13.055 -3.166 1.00 5.72 O ATOM 1064 ND2 ASN A 66 -20.555 -12.301 -5.168 1.00 6.08 N ATOM 0 H ASN A 66 -18.307 -9.555 -3.218 1.00 4.06 H new ATOM 0 HA ASN A 66 -17.566 -12.335 -2.512 1.00 4.27 H new ATOM 0 HB2 ASN A 66 -18.351 -11.048 -5.151 1.00 4.76 H new ATOM 0 HB3 ASN A 66 -17.674 -12.660 -5.019 1.00 4.76 H new ATOM 0 HD21 ASN A 66 -21.501 -12.661 -5.040 1.00 6.08 H new ATOM 0 HD22 ASN A 66 -20.308 -11.810 -6.028 1.00 6.08 H new ATOM 1071 N MET A 67 -15.516 -11.806 -4.542 1.00 4.09 N ATOM 1072 CA MET A 67 -14.150 -11.512 -4.979 1.00 4.13 C ATOM 1073 C MET A 67 -14.071 -10.120 -5.602 1.00 3.60 C ATOM 1074 O MET A 67 -13.001 -9.665 -6.016 1.00 3.77 O ATOM 1075 CB MET A 67 -13.672 -12.563 -5.985 1.00 4.54 C ATOM 1076 CG MET A 67 -13.582 -13.966 -5.407 1.00 5.19 C ATOM 1077 SD MET A 67 -12.285 -14.130 -4.165 1.00 6.00 S ATOM 1078 CE MET A 67 -10.820 -13.933 -5.179 1.00 6.30 C ATOM 0 H MET A 67 -15.986 -12.526 -5.090 1.00 4.09 H new ATOM 0 HA MET A 67 -13.500 -11.540 -4.104 1.00 4.13 H new ATOM 0 HB2 MET A 67 -14.352 -12.573 -6.837 1.00 4.54 H new ATOM 0 HB3 MET A 67 -12.692 -12.272 -6.363 1.00 4.54 H new ATOM 0 HG2 MET A 67 -14.541 -14.232 -4.962 1.00 5.19 H new ATOM 0 HG3 MET A 67 -13.397 -14.675 -6.214 1.00 5.19 H new ATOM 0 HE1 MET A 67 -9.958 -14.350 -4.658 1.00 6.30 H new ATOM 0 HE2 MET A 67 -10.960 -14.456 -6.125 1.00 6.30 H new ATOM 0 HE3 MET A 67 -10.650 -12.874 -5.371 1.00 6.30 H new ATOM 1088 N LYS A 68 -15.221 -9.458 -5.675 1.00 3.30 N ATOM 1089 CA LYS A 68 -15.314 -8.093 -6.169 1.00 3.12 C ATOM 1090 C LYS A 68 -14.804 -7.109 -5.121 1.00 2.78 C ATOM 1091 O LYS A 68 -14.200 -7.515 -4.126 1.00 3.25 O ATOM 1092 CB LYS A 68 -16.766 -7.766 -6.523 1.00 3.71 C ATOM 1093 CG LYS A 68 -17.359 -8.687 -7.574 1.00 4.30 C ATOM 1094 CD LYS A 68 -16.616 -8.583 -8.894 1.00 4.85 C ATOM 1095 CE LYS A 68 -17.211 -9.511 -9.941 1.00 5.37 C ATOM 1096 NZ LYS A 68 -16.490 -9.422 -11.235 1.00 5.81 N ATOM 0 H LYS A 68 -16.116 -9.856 -5.392 1.00 3.30 H new ATOM 0 HA LYS A 68 -14.695 -8.004 -7.062 1.00 3.12 H new ATOM 0 HB2 LYS A 68 -17.373 -7.822 -5.619 1.00 3.71 H new ATOM 0 HB3 LYS A 68 -16.821 -6.738 -6.881 1.00 3.71 H new ATOM 0 HG2 LYS A 68 -17.325 -9.716 -7.217 1.00 4.30 H new ATOM 0 HG3 LYS A 68 -18.409 -8.437 -7.726 1.00 4.30 H new ATOM 0 HD2 LYS A 68 -16.653 -7.555 -9.254 1.00 4.85 H new ATOM 0 HD3 LYS A 68 -15.565 -8.830 -8.742 1.00 4.85 H new ATOM 0 HE2 LYS A 68 -17.177 -10.538 -9.577 1.00 5.37 H new ATOM 0 HE3 LYS A 68 -18.261 -9.261 -10.093 1.00 5.37 H new ATOM 0 HZ1 LYS A 68 -16.927 -10.070 -11.921 1.00 5.81 H new ATOM 0 HZ2 LYS A 68 -16.543 -8.448 -11.596 1.00 5.81 H new ATOM 0 HZ3 LYS A 68 -15.494 -9.685 -11.096 1.00 5.81 H new ATOM 1110 N PHE A 69 -15.063 -5.820 -5.348 1.00 2.52 N ATOM 1111 CA PHE A 69 -14.608 -4.769 -4.443 1.00 2.44 C ATOM 1112 C PHE A 69 -13.084 -4.868 -4.281 1.00 2.04 C ATOM 1113 O PHE A 69 -12.559 -4.925 -3.169 1.00 2.83 O ATOM 1114 CB PHE A 69 -15.323 -4.905 -3.092 1.00 3.01 C ATOM 1115 CG PHE A 69 -15.690 -3.592 -2.456 1.00 3.88 C ATOM 1116 CD1 PHE A 69 -14.737 -2.850 -1.776 1.00 4.80 C ATOM 1117 CD2 PHE A 69 -16.982 -3.102 -2.536 1.00 4.14 C ATOM 1118 CE1 PHE A 69 -15.068 -1.645 -1.186 1.00 5.84 C ATOM 1119 CE2 PHE A 69 -17.318 -1.898 -1.949 1.00 5.20 C ATOM 1120 CZ PHE A 69 -16.376 -1.165 -1.291 1.00 6.01 C ATOM 0 H PHE A 69 -15.587 -5.480 -6.154 1.00 2.52 H new ATOM 0 HA PHE A 69 -14.849 -3.789 -4.854 1.00 2.44 H new ATOM 0 HB2 PHE A 69 -16.229 -5.495 -3.230 1.00 3.01 H new ATOM 0 HB3 PHE A 69 -14.682 -5.461 -2.408 1.00 3.01 H new ATOM 0 HD1 PHE A 69 -13.724 -3.218 -1.706 1.00 4.80 H new ATOM 0 HD2 PHE A 69 -17.736 -3.668 -3.063 1.00 4.14 H new ATOM 0 HE1 PHE A 69 -14.322 -1.079 -0.648 1.00 5.84 H new ATOM 0 HE2 PHE A 69 -18.333 -1.535 -2.012 1.00 5.20 H new ATOM 0 HZ PHE A 69 -16.640 -0.215 -0.851 1.00 6.01 H new ATOM 1130 N PHE A 70 -12.392 -4.895 -5.421 1.00 1.22 N ATOM 1131 CA PHE A 70 -10.981 -5.250 -5.479 1.00 0.92 C ATOM 1132 C PHE A 70 -10.110 -4.138 -6.077 1.00 0.79 C ATOM 1133 O PHE A 70 -10.589 -3.272 -6.808 1.00 1.19 O ATOM 1134 CB PHE A 70 -10.848 -6.501 -6.334 1.00 1.37 C ATOM 1135 CG PHE A 70 -9.559 -7.209 -6.133 1.00 1.92 C ATOM 1136 CD1 PHE A 70 -9.264 -7.716 -4.896 1.00 2.15 C ATOM 1137 CD2 PHE A 70 -8.647 -7.366 -7.157 1.00 2.74 C ATOM 1138 CE1 PHE A 70 -8.095 -8.363 -4.662 1.00 2.96 C ATOM 1139 CE2 PHE A 70 -7.462 -8.020 -6.938 1.00 3.59 C ATOM 1140 CZ PHE A 70 -7.177 -8.525 -5.684 1.00 3.63 C ATOM 0 H PHE A 70 -12.799 -4.670 -6.329 1.00 1.22 H new ATOM 0 HA PHE A 70 -10.630 -5.413 -4.460 1.00 0.92 H new ATOM 0 HB2 PHE A 70 -11.669 -7.180 -6.104 1.00 1.37 H new ATOM 0 HB3 PHE A 70 -10.946 -6.228 -7.385 1.00 1.37 H new ATOM 0 HD1 PHE A 70 -9.975 -7.599 -4.092 1.00 2.15 H new ATOM 0 HD2 PHE A 70 -8.868 -6.971 -8.138 1.00 2.74 H new ATOM 0 HE1 PHE A 70 -7.881 -8.752 -3.677 1.00 2.96 H new ATOM 0 HE2 PHE A 70 -6.753 -8.140 -7.744 1.00 3.59 H new ATOM 0 HZ PHE A 70 -6.246 -9.042 -5.503 1.00 3.63 H new ATOM 1150 N THR A 71 -8.824 -4.185 -5.747 1.00 0.58 N ATOM 1151 CA THR A 71 -7.800 -3.365 -6.397 1.00 0.49 C ATOM 1152 C THR A 71 -6.414 -3.848 -5.984 1.00 0.40 C ATOM 1153 O THR A 71 -6.245 -4.408 -4.904 1.00 0.49 O ATOM 1154 CB THR A 71 -7.946 -1.845 -6.118 1.00 0.56 C ATOM 1155 OG1 THR A 71 -7.441 -1.106 -7.235 1.00 0.81 O ATOM 1156 CG2 THR A 71 -7.191 -1.396 -4.875 1.00 0.48 C ATOM 0 H THR A 71 -8.457 -4.796 -5.017 1.00 0.58 H new ATOM 0 HA THR A 71 -7.939 -3.488 -7.471 1.00 0.49 H new ATOM 0 HB THR A 71 -9.007 -1.656 -5.957 1.00 0.56 H new ATOM 0 HG1 THR A 71 -8.019 -0.332 -7.403 1.00 0.81 H new ATOM 0 HG21 THR A 71 -7.331 -0.325 -4.732 1.00 0.48 H new ATOM 0 HG22 THR A 71 -7.572 -1.931 -4.005 1.00 0.48 H new ATOM 0 HG23 THR A 71 -6.129 -1.610 -4.997 1.00 0.48 H new ATOM 1164 N GLU A 72 -5.435 -3.662 -6.853 1.00 0.49 N ATOM 1165 CA GLU A 72 -4.079 -4.109 -6.574 1.00 0.45 C ATOM 1166 C GLU A 72 -3.156 -2.916 -6.362 1.00 0.47 C ATOM 1167 O GLU A 72 -2.925 -2.131 -7.283 1.00 0.57 O ATOM 1168 CB GLU A 72 -3.549 -4.965 -7.727 1.00 0.63 C ATOM 1169 CG GLU A 72 -2.083 -5.345 -7.576 1.00 1.19 C ATOM 1170 CD GLU A 72 -1.500 -5.977 -8.821 1.00 1.50 C ATOM 1171 OE1 GLU A 72 -0.949 -5.240 -9.665 1.00 1.83 O ATOM 1172 OE2 GLU A 72 -1.573 -7.216 -8.957 1.00 1.80 O ATOM 0 H GLU A 72 -5.553 -3.205 -7.757 1.00 0.49 H new ATOM 0 HA GLU A 72 -4.102 -4.709 -5.664 1.00 0.45 H new ATOM 0 HB2 GLU A 72 -4.146 -5.874 -7.799 1.00 0.63 H new ATOM 0 HB3 GLU A 72 -3.681 -4.422 -8.663 1.00 0.63 H new ATOM 0 HG2 GLU A 72 -1.507 -4.454 -7.325 1.00 1.19 H new ATOM 0 HG3 GLU A 72 -1.978 -6.038 -6.741 1.00 1.19 H new ATOM 1179 N VAL A 73 -2.623 -2.785 -5.158 1.00 0.44 N ATOM 1180 CA VAL A 73 -1.735 -1.681 -4.843 1.00 0.52 C ATOM 1181 C VAL A 73 -0.443 -2.204 -4.229 1.00 0.64 C ATOM 1182 O VAL A 73 -0.435 -2.697 -3.101 1.00 0.76 O ATOM 1183 CB VAL A 73 -2.371 -0.669 -3.878 1.00 0.52 C ATOM 1184 CG1 VAL A 73 -2.028 0.747 -4.301 1.00 0.66 C ATOM 1185 CG2 VAL A 73 -3.868 -0.850 -3.801 1.00 0.53 C ATOM 0 H VAL A 73 -2.790 -3.429 -4.385 1.00 0.44 H new ATOM 0 HA VAL A 73 -1.530 -1.167 -5.782 1.00 0.52 H new ATOM 0 HB VAL A 73 -1.963 -0.849 -2.883 1.00 0.52 H new ATOM 0 HG11 VAL A 73 -2.485 1.454 -3.609 1.00 0.66 H new ATOM 0 HG12 VAL A 73 -0.946 0.878 -4.292 1.00 0.66 H new ATOM 0 HG13 VAL A 73 -2.406 0.928 -5.307 1.00 0.66 H new ATOM 0 HG21 VAL A 73 -4.288 -0.119 -3.110 1.00 0.53 H new ATOM 0 HG22 VAL A 73 -4.303 -0.706 -4.790 1.00 0.53 H new ATOM 0 HG23 VAL A 73 -4.095 -1.856 -3.447 1.00 0.53 H new ATOM 1195 N GLU A 74 0.643 -2.100 -4.974 1.00 0.80 N ATOM 1196 CA GLU A 74 1.924 -2.638 -4.548 1.00 0.96 C ATOM 1197 C GLU A 74 2.509 -1.840 -3.389 1.00 0.98 C ATOM 1198 O GLU A 74 2.616 -0.616 -3.468 1.00 1.16 O ATOM 1199 CB GLU A 74 2.902 -2.617 -5.723 1.00 1.24 C ATOM 1200 CG GLU A 74 2.403 -3.361 -6.953 1.00 1.49 C ATOM 1201 CD GLU A 74 3.369 -3.288 -8.118 1.00 1.71 C ATOM 1202 OE1 GLU A 74 4.243 -4.177 -8.233 1.00 2.25 O ATOM 1203 OE2 GLU A 74 3.270 -2.340 -8.923 1.00 2.02 O ATOM 0 H GLU A 74 0.663 -1.643 -5.886 1.00 0.80 H new ATOM 0 HA GLU A 74 1.764 -3.661 -4.208 1.00 0.96 H new ATOM 0 HB2 GLU A 74 3.106 -1.581 -5.995 1.00 1.24 H new ATOM 0 HB3 GLU A 74 3.848 -3.055 -5.404 1.00 1.24 H new ATOM 0 HG2 GLU A 74 2.231 -4.406 -6.695 1.00 1.49 H new ATOM 0 HG3 GLU A 74 1.442 -2.946 -7.258 1.00 1.49 H new ATOM 1210 N ALA A 75 2.873 -2.535 -2.312 1.00 1.06 N ATOM 1211 CA ALA A 75 3.648 -1.918 -1.246 1.00 1.12 C ATOM 1212 C ALA A 75 4.995 -1.528 -1.787 1.00 1.43 C ATOM 1213 O ALA A 75 5.237 -0.350 -2.052 1.00 1.80 O ATOM 1214 CB ALA A 75 3.830 -2.837 -0.067 1.00 1.02 C ATOM 0 H ALA A 75 2.644 -3.517 -2.159 1.00 1.06 H new ATOM 0 HA ALA A 75 3.101 -1.043 -0.896 1.00 1.12 H new ATOM 0 HB1 ALA A 75 4.414 -2.331 0.702 1.00 1.02 H new ATOM 0 HB2 ALA A 75 2.855 -3.107 0.338 1.00 1.02 H new ATOM 0 HB3 ALA A 75 4.353 -3.739 -0.386 1.00 1.02 H new ATOM 1220 N TYR A 76 5.868 -2.519 -1.987 1.00 1.71 N ATOM 1221 CA TYR A 76 7.170 -2.227 -2.544 1.00 2.10 C ATOM 1222 C TYR A 76 7.994 -3.492 -2.771 1.00 2.93 C ATOM 1223 O TYR A 76 7.761 -4.527 -2.150 1.00 3.37 O ATOM 1224 CB TYR A 76 7.909 -1.224 -1.659 1.00 2.06 C ATOM 1225 CG TYR A 76 8.406 -0.021 -2.442 1.00 2.42 C ATOM 1226 CD1 TYR A 76 8.710 -0.113 -3.795 1.00 3.02 C ATOM 1227 CD2 TYR A 76 8.598 1.207 -1.815 1.00 2.63 C ATOM 1228 CE1 TYR A 76 9.185 0.980 -4.492 1.00 3.55 C ATOM 1229 CE2 TYR A 76 9.066 2.298 -2.506 1.00 3.23 C ATOM 1230 CZ TYR A 76 9.273 2.175 -3.911 1.00 3.62 C ATOM 1231 OH TYR A 76 9.845 3.277 -4.521 1.00 4.28 O ATOM 0 H TYR A 76 5.695 -3.502 -1.775 1.00 1.71 H new ATOM 0 HA TYR A 76 7.022 -1.777 -3.526 1.00 2.10 H new ATOM 0 HB2 TYR A 76 7.245 -0.887 -0.863 1.00 2.06 H new ATOM 0 HB3 TYR A 76 8.755 -1.718 -1.181 1.00 2.06 H new ATOM 0 HD1 TYR A 76 8.573 -1.053 -4.309 1.00 3.02 H new ATOM 0 HD2 TYR A 76 8.374 1.304 -0.763 1.00 2.63 H new ATOM 0 HE1 TYR A 76 9.489 0.864 -5.522 1.00 3.55 H new ATOM 0 HE2 TYR A 76 9.272 3.228 -1.997 1.00 3.23 H new ATOM 0 HH TYR A 76 9.147 3.929 -4.740 1.00 4.28 H new ATOM 1241 N ARG A 77 8.975 -3.367 -3.655 1.00 3.45 N ATOM 1242 CA ARG A 77 9.686 -4.496 -4.241 1.00 4.39 C ATOM 1243 C ARG A 77 11.182 -4.156 -4.330 1.00 4.69 C ATOM 1244 O ARG A 77 11.551 -3.068 -3.902 1.00 4.62 O ATOM 1245 CB ARG A 77 9.073 -4.773 -5.625 1.00 5.09 C ATOM 1246 CG ARG A 77 7.612 -5.197 -5.554 1.00 5.52 C ATOM 1247 CD ARG A 77 6.944 -5.193 -6.918 1.00 6.16 C ATOM 1248 NE ARG A 77 7.534 -6.167 -7.828 1.00 6.62 N ATOM 1249 CZ ARG A 77 7.047 -6.442 -9.035 1.00 7.29 C ATOM 1250 NH1 ARG A 77 5.953 -5.830 -9.472 1.00 7.66 N ATOM 1251 NH2 ARG A 77 7.656 -7.333 -9.805 1.00 7.82 N ATOM 0 H ARG A 77 9.305 -2.462 -3.991 1.00 3.45 H new ATOM 0 HA ARG A 77 9.590 -5.394 -3.630 1.00 4.39 H new ATOM 0 HB2 ARG A 77 9.156 -3.876 -6.239 1.00 5.09 H new ATOM 0 HB3 ARG A 77 9.649 -5.554 -6.122 1.00 5.09 H new ATOM 0 HG2 ARG A 77 7.546 -6.196 -5.123 1.00 5.52 H new ATOM 0 HG3 ARG A 77 7.073 -4.525 -4.886 1.00 5.52 H new ATOM 0 HD2 ARG A 77 5.882 -5.407 -6.800 1.00 6.16 H new ATOM 0 HD3 ARG A 77 7.022 -4.198 -7.355 1.00 6.16 H new ATOM 0 HE ARG A 77 8.369 -6.667 -7.521 1.00 6.62 H new ATOM 0 HH11 ARG A 77 5.481 -5.145 -8.881 1.00 7.66 H new ATOM 0 HH12 ARG A 77 5.584 -6.045 -10.398 1.00 7.66 H new ATOM 0 HH21 ARG A 77 8.496 -7.806 -9.472 1.00 7.82 H new ATOM 0 HH22 ARG A 77 7.285 -7.546 -10.731 1.00 7.82 H new ATOM 1265 N PRO A 78 12.070 -5.070 -4.818 1.00 5.32 N ATOM 1266 CA PRO A 78 13.515 -4.803 -5.062 1.00 5.79 C ATOM 1267 C PRO A 78 13.856 -3.386 -5.562 1.00 6.24 C ATOM 1268 O PRO A 78 15.000 -2.929 -5.471 1.00 6.84 O ATOM 1269 CB PRO A 78 13.881 -5.845 -6.125 1.00 6.56 C ATOM 1270 CG PRO A 78 12.657 -6.692 -6.327 1.00 6.72 C ATOM 1271 CD PRO A 78 11.790 -6.472 -5.125 1.00 5.88 C ATOM 0 HA PRO A 78 14.073 -4.869 -4.128 1.00 5.79 H new ATOM 0 HB2 PRO A 78 14.177 -5.362 -7.056 1.00 6.56 H new ATOM 0 HB3 PRO A 78 14.725 -6.453 -5.799 1.00 6.56 H new ATOM 0 HG2 PRO A 78 12.134 -6.408 -7.240 1.00 6.72 H new ATOM 0 HG3 PRO A 78 12.924 -7.744 -6.426 1.00 6.72 H new ATOM 0 HD2 PRO A 78 10.736 -6.642 -5.343 1.00 5.88 H new ATOM 0 HD3 PRO A 78 12.056 -7.134 -4.301 1.00 5.88 H new ATOM 1279 N ASP A 79 12.854 -2.741 -6.107 1.00 6.17 N ATOM 1280 CA ASP A 79 12.851 -1.311 -6.449 1.00 6.76 C ATOM 1281 C ASP A 79 13.301 -0.419 -5.284 1.00 6.75 C ATOM 1282 O ASP A 79 13.846 -0.901 -4.292 1.00 6.33 O ATOM 1283 CB ASP A 79 11.464 -0.886 -6.908 1.00 6.97 C ATOM 1284 CG ASP A 79 10.999 -1.661 -8.118 1.00 7.82 C ATOM 1285 OD1 ASP A 79 11.333 -1.258 -9.253 1.00 8.31 O ATOM 1286 OD2 ASP A 79 10.305 -2.680 -7.944 1.00 8.19 O ATOM 0 H ASP A 79 11.975 -3.203 -6.340 1.00 6.17 H new ATOM 0 HA ASP A 79 13.572 -1.180 -7.256 1.00 6.76 H new ATOM 0 HB2 ASP A 79 10.754 -1.029 -6.093 1.00 6.97 H new ATOM 0 HB3 ASP A 79 11.471 0.179 -7.142 1.00 6.97 H new ATOM 1291 N LEU A 80 13.153 0.902 -5.467 1.00 7.42 N ATOM 1292 CA LEU A 80 13.527 1.938 -4.468 1.00 7.70 C ATOM 1293 C LEU A 80 13.021 1.681 -3.029 1.00 7.67 C ATOM 1294 O LEU A 80 13.134 2.545 -2.167 1.00 7.65 O ATOM 1295 CB LEU A 80 13.034 3.311 -4.920 1.00 8.65 C ATOM 1296 CG LEU A 80 13.837 4.012 -6.029 1.00 9.25 C ATOM 1297 CD1 LEU A 80 15.290 4.194 -5.621 1.00 9.43 C ATOM 1298 CD2 LEU A 80 13.739 3.254 -7.344 1.00 9.75 C ATOM 0 H LEU A 80 12.765 1.296 -6.324 1.00 7.42 H new ATOM 0 HA LEU A 80 14.615 1.894 -4.423 1.00 7.70 H new ATOM 0 HB2 LEU A 80 12.005 3.205 -5.263 1.00 8.65 H new ATOM 0 HB3 LEU A 80 13.014 3.967 -4.050 1.00 8.65 H new ATOM 0 HG LEU A 80 13.400 5.000 -6.177 1.00 9.25 H new ATOM 0 HD11 LEU A 80 15.834 4.692 -6.424 1.00 9.43 H new ATOM 0 HD12 LEU A 80 15.341 4.801 -4.717 1.00 9.43 H new ATOM 0 HD13 LEU A 80 15.739 3.219 -5.429 1.00 9.43 H new ATOM 0 HD21 LEU A 80 14.317 3.774 -8.108 1.00 9.75 H new ATOM 0 HD22 LEU A 80 14.134 2.247 -7.214 1.00 9.75 H new ATOM 0 HD23 LEU A 80 12.696 3.197 -7.654 1.00 9.75 H new ATOM 1310 N LYS A 81 12.468 0.509 -2.784 1.00 7.90 N ATOM 1311 CA LYS A 81 12.142 0.040 -1.443 1.00 8.21 C ATOM 1312 C LYS A 81 13.419 -0.121 -0.617 1.00 7.50 C ATOM 1313 O LYS A 81 13.390 -0.115 0.616 1.00 7.67 O ATOM 1314 CB LYS A 81 11.388 -1.291 -1.574 1.00 9.15 C ATOM 1315 CG LYS A 81 11.331 -2.163 -0.325 1.00 9.83 C ATOM 1316 CD LYS A 81 12.509 -3.124 -0.261 1.00 10.54 C ATOM 1317 CE LYS A 81 12.359 -4.133 0.867 1.00 11.27 C ATOM 1318 NZ LYS A 81 11.195 -5.037 0.659 1.00 11.75 N ATOM 0 H LYS A 81 12.227 -0.157 -3.518 1.00 7.90 H new ATOM 0 HA LYS A 81 11.511 0.763 -0.926 1.00 8.21 H new ATOM 0 HB2 LYS A 81 10.366 -1.076 -1.887 1.00 9.15 H new ATOM 0 HB3 LYS A 81 11.851 -1.869 -2.373 1.00 9.15 H new ATOM 0 HG2 LYS A 81 11.328 -1.530 0.562 1.00 9.83 H new ATOM 0 HG3 LYS A 81 10.399 -2.728 -0.317 1.00 9.83 H new ATOM 0 HD2 LYS A 81 12.598 -3.652 -1.210 1.00 10.54 H new ATOM 0 HD3 LYS A 81 13.431 -2.559 -0.122 1.00 10.54 H new ATOM 0 HE2 LYS A 81 13.269 -4.727 0.945 1.00 11.27 H new ATOM 0 HE3 LYS A 81 12.242 -3.604 1.813 1.00 11.27 H new ATOM 0 HZ1 LYS A 81 11.423 -5.985 1.020 1.00 11.75 H new ATOM 0 HZ2 LYS A 81 10.369 -4.662 1.167 1.00 11.75 H new ATOM 0 HZ3 LYS A 81 10.979 -5.096 -0.357 1.00 11.75 H new ATOM 1332 N HIS A 82 14.536 -0.285 -1.321 1.00 6.91 N ATOM 1333 CA HIS A 82 15.841 -0.417 -0.687 1.00 6.47 C ATOM 1334 C HIS A 82 16.192 0.854 0.104 1.00 5.53 C ATOM 1335 O HIS A 82 15.650 1.919 -0.181 1.00 5.01 O ATOM 1336 CB HIS A 82 16.911 -0.756 -1.742 1.00 6.67 C ATOM 1337 CG HIS A 82 17.041 0.233 -2.860 1.00 7.18 C ATOM 1338 ND1 HIS A 82 16.439 0.063 -4.091 1.00 7.40 N ATOM 1339 CD2 HIS A 82 17.744 1.384 -2.946 1.00 7.76 C ATOM 1340 CE1 HIS A 82 16.775 1.063 -4.881 1.00 8.08 C ATOM 1341 NE2 HIS A 82 17.565 1.882 -4.213 1.00 8.33 N ATOM 0 H HIS A 82 14.561 -0.330 -2.340 1.00 6.91 H new ATOM 0 HA HIS A 82 15.809 -1.239 0.028 1.00 6.47 H new ATOM 0 HB2 HIS A 82 17.876 -0.844 -1.242 1.00 6.67 H new ATOM 0 HB3 HIS A 82 16.682 -1.733 -2.167 1.00 6.67 H new ATOM 0 HD1 HIS A 82 15.830 -0.714 -4.348 1.00 7.40 H new ATOM 0 HD2 HIS A 82 18.338 1.830 -2.162 1.00 7.76 H new ATOM 0 HE1 HIS A 82 16.457 1.191 -5.905 1.00 8.08 H new ATOM 1350 N PRO A 83 17.125 0.753 1.082 1.00 5.57 N ATOM 1351 CA PRO A 83 17.352 1.788 2.112 1.00 4.95 C ATOM 1352 C PRO A 83 17.287 3.237 1.616 1.00 4.13 C ATOM 1353 O PRO A 83 18.082 3.674 0.779 1.00 4.33 O ATOM 1354 CB PRO A 83 18.756 1.457 2.607 1.00 5.64 C ATOM 1355 CG PRO A 83 18.856 -0.019 2.474 1.00 6.46 C ATOM 1356 CD PRO A 83 18.049 -0.388 1.259 1.00 6.50 C ATOM 0 HA PRO A 83 16.566 1.758 2.867 1.00 4.95 H new ATOM 0 HB2 PRO A 83 19.517 1.962 2.012 1.00 5.64 H new ATOM 0 HB3 PRO A 83 18.898 1.773 3.640 1.00 5.64 H new ATOM 0 HG2 PRO A 83 19.895 -0.330 2.360 1.00 6.46 H new ATOM 0 HG3 PRO A 83 18.470 -0.517 3.363 1.00 6.46 H new ATOM 0 HD2 PRO A 83 18.685 -0.526 0.384 1.00 6.50 H new ATOM 0 HD3 PRO A 83 17.506 -1.321 1.409 1.00 6.50 H new ATOM 1364 N LEU A 84 16.329 3.969 2.179 1.00 3.60 N ATOM 1365 CA LEU A 84 16.145 5.397 1.937 1.00 3.05 C ATOM 1366 C LEU A 84 15.757 6.054 3.257 1.00 2.76 C ATOM 1367 O LEU A 84 15.668 5.372 4.276 1.00 3.30 O ATOM 1368 CB LEU A 84 15.059 5.641 0.881 1.00 3.01 C ATOM 1369 CG LEU A 84 15.415 5.217 -0.546 1.00 4.01 C ATOM 1370 CD1 LEU A 84 14.235 5.439 -1.476 1.00 4.57 C ATOM 1371 CD2 LEU A 84 16.629 5.985 -1.047 1.00 4.67 C ATOM 0 H LEU A 84 15.646 3.579 2.828 1.00 3.60 H new ATOM 0 HA LEU A 84 17.072 5.827 1.557 1.00 3.05 H new ATOM 0 HB2 LEU A 84 14.157 5.109 1.184 1.00 3.01 H new ATOM 0 HB3 LEU A 84 14.816 6.704 0.875 1.00 3.01 H new ATOM 0 HG LEU A 84 15.657 4.154 -0.535 1.00 4.01 H new ATOM 0 HD11 LEU A 84 14.505 5.132 -2.486 1.00 4.57 H new ATOM 0 HD12 LEU A 84 13.385 4.849 -1.133 1.00 4.57 H new ATOM 0 HD13 LEU A 84 13.966 6.495 -1.477 1.00 4.57 H new ATOM 0 HD21 LEU A 84 16.866 5.669 -2.063 1.00 4.67 H new ATOM 0 HD22 LEU A 84 16.412 7.053 -1.041 1.00 4.67 H new ATOM 0 HD23 LEU A 84 17.480 5.784 -0.397 1.00 4.67 H new ATOM 1383 N CYS A 85 15.535 7.366 3.267 1.00 2.66 N ATOM 1384 CA CYS A 85 15.250 8.042 4.533 1.00 3.24 C ATOM 1385 C CYS A 85 14.179 9.107 4.410 1.00 3.77 C ATOM 1386 O CYS A 85 13.533 9.489 5.380 1.00 4.31 O ATOM 1387 CB CYS A 85 16.526 8.673 5.088 1.00 3.79 C ATOM 1388 SG CYS A 85 18.071 8.017 4.369 1.00 4.64 S ATOM 0 H CYS A 85 15.545 7.967 2.443 1.00 2.66 H new ATOM 0 HA CYS A 85 14.873 7.279 5.214 1.00 3.24 H new ATOM 0 HB2 CYS A 85 16.488 9.749 4.916 1.00 3.79 H new ATOM 0 HB3 CYS A 85 16.550 8.523 6.167 1.00 3.79 H new ATOM 1393 N GLY A 86 14.024 9.580 3.221 1.00 4.00 N ATOM 1394 CA GLY A 86 13.134 10.698 2.960 1.00 4.75 C ATOM 1395 C GLY A 86 11.815 10.298 2.328 1.00 4.42 C ATOM 1396 O GLY A 86 11.043 11.160 1.904 1.00 5.13 O ATOM 0 H GLY A 86 14.500 9.217 2.395 1.00 4.00 H new ATOM 0 HA2 GLY A 86 12.934 11.217 3.897 1.00 4.75 H new ATOM 0 HA3 GLY A 86 13.640 11.407 2.305 1.00 4.75 H new ATOM 1400 N LYS A 87 11.534 9.008 2.266 1.00 3.51 N ATOM 1401 CA LYS A 87 10.395 8.534 1.490 1.00 3.25 C ATOM 1402 C LYS A 87 9.288 7.955 2.368 1.00 2.57 C ATOM 1403 O LYS A 87 9.544 7.202 3.306 1.00 2.57 O ATOM 1404 CB LYS A 87 10.856 7.500 0.460 1.00 3.54 C ATOM 1405 CG LYS A 87 11.914 8.029 -0.503 1.00 4.49 C ATOM 1406 CD LYS A 87 11.475 9.329 -1.165 1.00 5.19 C ATOM 1407 CE LYS A 87 12.561 9.904 -2.064 1.00 6.18 C ATOM 1408 NZ LYS A 87 12.778 9.080 -3.280 1.00 6.95 N ATOM 0 H LYS A 87 12.069 8.277 2.735 1.00 3.51 H new ATOM 0 HA LYS A 87 9.972 9.397 0.976 1.00 3.25 H new ATOM 0 HB2 LYS A 87 11.255 6.631 0.983 1.00 3.54 H new ATOM 0 HB3 LYS A 87 9.993 7.160 -0.112 1.00 3.54 H new ATOM 0 HG2 LYS A 87 12.847 8.192 0.036 1.00 4.49 H new ATOM 0 HG3 LYS A 87 12.115 7.280 -1.269 1.00 4.49 H new ATOM 0 HD2 LYS A 87 10.574 9.151 -1.752 1.00 5.19 H new ATOM 0 HD3 LYS A 87 11.216 10.058 -0.397 1.00 5.19 H new ATOM 0 HE2 LYS A 87 12.288 10.917 -2.358 1.00 6.18 H new ATOM 0 HE3 LYS A 87 13.494 9.975 -1.504 1.00 6.18 H new ATOM 0 HZ1 LYS A 87 13.502 9.528 -3.878 1.00 6.95 H new ATOM 0 HZ2 LYS A 87 13.097 8.130 -3.003 1.00 6.95 H new ATOM 0 HZ3 LYS A 87 11.887 9.005 -3.812 1.00 6.95 H new ATOM 1422 N ARG A 88 8.054 8.335 2.049 1.00 2.48 N ATOM 1423 CA ARG A 88 6.869 7.811 2.719 1.00 2.17 C ATOM 1424 C ARG A 88 5.832 7.402 1.676 1.00 1.70 C ATOM 1425 O ARG A 88 5.449 8.213 0.830 1.00 2.18 O ATOM 1426 CB ARG A 88 6.266 8.861 3.654 1.00 3.14 C ATOM 1427 CG ARG A 88 4.982 8.401 4.324 1.00 3.80 C ATOM 1428 CD ARG A 88 4.235 9.556 4.972 1.00 4.78 C ATOM 1429 NE ARG A 88 2.924 9.134 5.461 1.00 5.43 N ATOM 1430 CZ ARG A 88 1.796 9.237 4.755 1.00 6.34 C ATOM 1431 NH1 ARG A 88 1.802 9.803 3.552 1.00 6.69 N ATOM 1432 NH2 ARG A 88 0.655 8.785 5.257 1.00 7.15 N ATOM 0 H ARG A 88 7.848 9.016 1.318 1.00 2.48 H new ATOM 0 HA ARG A 88 7.160 6.944 3.312 1.00 2.17 H new ATOM 0 HB2 ARG A 88 6.997 9.117 4.421 1.00 3.14 H new ATOM 0 HB3 ARG A 88 6.067 9.771 3.087 1.00 3.14 H new ATOM 0 HG2 ARG A 88 4.339 7.921 3.586 1.00 3.80 H new ATOM 0 HG3 ARG A 88 5.215 7.650 5.079 1.00 3.80 H new ATOM 0 HD2 ARG A 88 4.823 9.954 5.799 1.00 4.78 H new ATOM 0 HD3 ARG A 88 4.113 10.364 4.250 1.00 4.78 H new ATOM 0 HE ARG A 88 2.868 8.737 6.399 1.00 5.43 H new ATOM 0 HH11 ARG A 88 2.673 10.163 3.162 1.00 6.69 H new ATOM 0 HH12 ARG A 88 0.935 9.878 3.019 1.00 6.69 H new ATOM 0 HH21 ARG A 88 0.639 8.358 6.183 1.00 7.15 H new ATOM 0 HH22 ARG A 88 -0.207 8.864 4.717 1.00 7.15 H new ATOM 1446 N TYR A 89 5.383 6.156 1.734 1.00 1.34 N ATOM 1447 CA TYR A 89 4.463 5.628 0.734 1.00 1.31 C ATOM 1448 C TYR A 89 3.101 5.344 1.361 1.00 1.05 C ATOM 1449 O TYR A 89 3.018 4.605 2.330 1.00 1.43 O ATOM 1450 CB TYR A 89 5.034 4.332 0.147 1.00 2.13 C ATOM 1451 CG TYR A 89 4.777 4.150 -1.333 1.00 2.67 C ATOM 1452 CD1 TYR A 89 3.568 4.542 -1.891 1.00 3.40 C ATOM 1453 CD2 TYR A 89 5.725 3.573 -2.165 1.00 2.94 C ATOM 1454 CE1 TYR A 89 3.311 4.364 -3.236 1.00 4.21 C ATOM 1455 CE2 TYR A 89 5.477 3.394 -3.512 1.00 3.68 C ATOM 1456 CZ TYR A 89 4.343 3.841 -4.061 1.00 4.27 C ATOM 1457 OH TYR A 89 4.014 3.609 -5.383 1.00 5.18 O ATOM 0 H TYR A 89 5.641 5.491 2.463 1.00 1.34 H new ATOM 0 HA TYR A 89 4.340 6.369 -0.056 1.00 1.31 H new ATOM 0 HB2 TYR A 89 6.110 4.311 0.322 1.00 2.13 H new ATOM 0 HB3 TYR A 89 4.607 3.485 0.684 1.00 2.13 H new ATOM 0 HD1 TYR A 89 2.815 4.994 -1.262 1.00 3.40 H new ATOM 0 HD2 TYR A 89 6.672 3.259 -1.753 1.00 2.94 H new ATOM 0 HE1 TYR A 89 2.347 4.617 -3.652 1.00 4.21 H new ATOM 0 HE2 TYR A 89 6.206 2.888 -4.128 1.00 3.68 H new ATOM 0 HH TYR A 89 3.121 3.209 -5.432 1.00 5.18 H new ATOM 1467 N GLU A 90 2.047 5.945 0.826 1.00 0.79 N ATOM 1468 CA GLU A 90 0.694 5.665 1.279 1.00 0.71 C ATOM 1469 C GLU A 90 -0.191 5.233 0.120 1.00 0.53 C ATOM 1470 O GLU A 90 -0.194 5.857 -0.948 1.00 0.63 O ATOM 1471 CB GLU A 90 0.082 6.891 1.972 1.00 1.07 C ATOM 1472 CG GLU A 90 -1.442 6.853 2.059 1.00 1.28 C ATOM 1473 CD GLU A 90 -2.041 8.106 2.662 1.00 1.79 C ATOM 1474 OE1 GLU A 90 -3.125 8.525 2.202 1.00 2.09 O ATOM 1475 OE2 GLU A 90 -1.433 8.685 3.591 1.00 2.07 O ATOM 0 H GLU A 90 2.105 6.632 0.075 1.00 0.79 H new ATOM 0 HA GLU A 90 0.752 4.848 1.998 1.00 0.71 H new ATOM 0 HB2 GLU A 90 0.492 6.970 2.979 1.00 1.07 H new ATOM 0 HB3 GLU A 90 0.384 7.789 1.433 1.00 1.07 H new ATOM 0 HG2 GLU A 90 -1.852 6.708 1.060 1.00 1.28 H new ATOM 0 HG3 GLU A 90 -1.743 5.992 2.655 1.00 1.28 H new ATOM 1482 N LEU A 91 -0.910 4.144 0.339 1.00 0.50 N ATOM 1483 CA LEU A 91 -1.968 3.724 -0.555 1.00 0.43 C ATOM 1484 C LEU A 91 -3.257 3.698 0.228 1.00 0.43 C ATOM 1485 O LEU A 91 -3.399 2.940 1.189 1.00 0.57 O ATOM 1486 CB LEU A 91 -1.727 2.344 -1.173 1.00 0.50 C ATOM 1487 CG LEU A 91 -0.428 1.627 -0.761 1.00 0.93 C ATOM 1488 CD1 LEU A 91 -0.442 0.181 -1.222 1.00 1.82 C ATOM 1489 CD2 LEU A 91 0.787 2.324 -1.354 1.00 1.02 C ATOM 0 H LEU A 91 -0.774 3.529 1.142 1.00 0.50 H new ATOM 0 HA LEU A 91 -2.006 4.433 -1.382 1.00 0.43 H new ATOM 0 HB2 LEU A 91 -2.569 1.702 -0.914 1.00 0.50 H new ATOM 0 HB3 LEU A 91 -1.729 2.450 -2.258 1.00 0.50 H new ATOM 0 HG LEU A 91 -0.367 1.660 0.327 1.00 0.93 H new ATOM 0 HD11 LEU A 91 0.485 -0.306 -0.920 1.00 1.82 H new ATOM 0 HD12 LEU A 91 -1.288 -0.337 -0.770 1.00 1.82 H new ATOM 0 HD13 LEU A 91 -0.533 0.146 -2.308 1.00 1.82 H new ATOM 0 HD21 LEU A 91 1.692 1.799 -1.049 1.00 1.02 H new ATOM 0 HD22 LEU A 91 0.714 2.320 -2.442 1.00 1.02 H new ATOM 0 HD23 LEU A 91 0.826 3.353 -0.997 1.00 1.02 H new ATOM 1501 N SER A 92 -4.185 4.534 -0.157 1.00 0.43 N ATOM 1502 CA SER A 92 -5.395 4.682 0.604 1.00 0.48 C ATOM 1503 C SER A 92 -6.622 4.515 -0.254 1.00 0.43 C ATOM 1504 O SER A 92 -6.714 5.054 -1.354 1.00 0.51 O ATOM 1505 CB SER A 92 -5.395 6.037 1.310 1.00 0.59 C ATOM 1506 OG SER A 92 -4.957 7.072 0.448 1.00 1.23 O ATOM 0 H SER A 92 -4.126 5.120 -0.990 1.00 0.43 H new ATOM 0 HA SER A 92 -5.427 3.891 1.353 1.00 0.48 H new ATOM 0 HB2 SER A 92 -6.400 6.262 1.669 1.00 0.59 H new ATOM 0 HB3 SER A 92 -4.747 5.992 2.185 1.00 0.59 H new ATOM 0 HG SER A 92 -4.311 7.638 0.919 1.00 1.23 H new ATOM 1512 N ALA A 93 -7.562 3.753 0.265 1.00 0.52 N ATOM 1513 CA ALA A 93 -8.806 3.533 -0.402 1.00 0.54 C ATOM 1514 C ALA A 93 -9.749 4.603 0.008 1.00 0.62 C ATOM 1515 O ALA A 93 -10.287 4.606 1.103 1.00 0.83 O ATOM 1516 CB ALA A 93 -9.350 2.174 -0.084 1.00 0.66 C ATOM 0 H ALA A 93 -7.475 3.274 1.161 1.00 0.52 H new ATOM 0 HA ALA A 93 -8.662 3.569 -1.482 1.00 0.54 H new ATOM 0 HB1 ALA A 93 -10.297 2.031 -0.604 1.00 0.66 H new ATOM 0 HB2 ALA A 93 -8.640 1.413 -0.408 1.00 0.66 H new ATOM 0 HB3 ALA A 93 -9.509 2.088 0.991 1.00 0.66 H new ATOM 1522 N ARG A 94 -9.907 5.534 -0.859 1.00 0.91 N ATOM 1523 CA ARG A 94 -10.597 6.745 -0.503 1.00 1.26 C ATOM 1524 C ARG A 94 -11.724 7.031 -1.417 1.00 0.70 C ATOM 1525 O ARG A 94 -11.794 6.544 -2.541 1.00 1.17 O ATOM 1526 CB ARG A 94 -9.630 7.925 -0.474 1.00 2.35 C ATOM 1527 CG ARG A 94 -8.486 7.751 0.508 1.00 3.37 C ATOM 1528 CD ARG A 94 -7.572 8.961 0.524 1.00 4.38 C ATOM 1529 NE ARG A 94 -8.322 10.210 0.629 1.00 5.11 N ATOM 1530 CZ ARG A 94 -8.001 11.207 1.449 1.00 6.01 C ATOM 1531 NH1 ARG A 94 -6.970 11.096 2.280 1.00 6.36 N ATOM 1532 NH2 ARG A 94 -8.718 12.320 1.437 1.00 6.80 N ATOM 0 H ARG A 94 -9.573 5.493 -1.822 1.00 0.91 H new ATOM 0 HA ARG A 94 -11.011 6.598 0.494 1.00 1.26 H new ATOM 0 HB2 ARG A 94 -9.220 8.073 -1.473 1.00 2.35 H new ATOM 0 HB3 ARG A 94 -10.182 8.830 -0.219 1.00 2.35 H new ATOM 0 HG2 ARG A 94 -8.887 7.584 1.508 1.00 3.37 H new ATOM 0 HG3 ARG A 94 -7.911 6.864 0.243 1.00 3.37 H new ATOM 0 HD2 ARG A 94 -6.880 8.882 1.362 1.00 4.38 H new ATOM 0 HD3 ARG A 94 -6.971 8.974 -0.385 1.00 4.38 H new ATOM 0 HE ARG A 94 -9.144 10.325 0.036 1.00 5.11 H new ATOM 0 HH11 ARG A 94 -6.416 10.240 2.293 1.00 6.36 H new ATOM 0 HH12 ARG A 94 -6.733 11.867 2.904 1.00 6.36 H new ATOM 0 HH21 ARG A 94 -9.511 12.409 0.802 1.00 6.80 H new ATOM 0 HH22 ARG A 94 -8.477 13.088 2.063 1.00 6.80 H new ATOM 1546 N MET A 95 -12.634 7.754 -0.816 1.00 0.84 N ATOM 1547 CA MET A 95 -13.815 8.303 -1.436 1.00 1.41 C ATOM 1548 C MET A 95 -13.725 8.367 -2.968 1.00 1.48 C ATOM 1549 O MET A 95 -14.580 7.829 -3.670 1.00 2.12 O ATOM 1550 CB MET A 95 -14.029 9.712 -0.878 1.00 2.09 C ATOM 1551 CG MET A 95 -13.621 9.853 0.589 1.00 2.32 C ATOM 1552 SD MET A 95 -13.735 11.550 1.193 1.00 3.26 S ATOM 1553 CE MET A 95 -15.483 11.883 0.978 1.00 3.27 C ATOM 0 H MET A 95 -12.568 7.989 0.174 1.00 0.84 H new ATOM 0 HA MET A 95 -14.652 7.643 -1.206 1.00 1.41 H new ATOM 0 HB2 MET A 95 -13.458 10.422 -1.476 1.00 2.09 H new ATOM 0 HB3 MET A 95 -15.080 9.980 -0.982 1.00 2.09 H new ATOM 0 HG2 MET A 95 -14.256 9.212 1.200 1.00 2.32 H new ATOM 0 HG3 MET A 95 -12.598 9.498 0.712 1.00 2.32 H new ATOM 0 HE1 MET A 95 -15.756 12.775 1.542 1.00 3.27 H new ATOM 0 HE2 MET A 95 -15.696 12.043 -0.079 1.00 3.27 H new ATOM 0 HE3 MET A 95 -16.062 11.034 1.340 1.00 3.27 H new ATOM 1563 N ASP A 96 -12.681 9.029 -3.471 1.00 1.26 N ATOM 1564 CA ASP A 96 -12.487 9.190 -4.912 1.00 1.45 C ATOM 1565 C ASP A 96 -11.845 7.954 -5.533 1.00 1.30 C ATOM 1566 O ASP A 96 -12.401 7.346 -6.446 1.00 1.97 O ATOM 1567 CB ASP A 96 -11.612 10.411 -5.205 1.00 1.76 C ATOM 1568 CG ASP A 96 -12.262 11.714 -4.794 1.00 2.34 C ATOM 1569 OD1 ASP A 96 -13.060 12.259 -5.584 1.00 2.78 O ATOM 1570 OD2 ASP A 96 -11.975 12.203 -3.683 1.00 2.86 O ATOM 0 H ASP A 96 -11.956 9.463 -2.900 1.00 1.26 H new ATOM 0 HA ASP A 96 -13.473 9.331 -5.355 1.00 1.45 H new ATOM 0 HB2 ASP A 96 -10.662 10.304 -4.682 1.00 1.76 H new ATOM 0 HB3 ASP A 96 -11.388 10.443 -6.271 1.00 1.76 H new ATOM 1575 N ALA A 97 -10.669 7.592 -5.037 1.00 0.84 N ATOM 1576 CA ALA A 97 -9.906 6.475 -5.582 1.00 0.62 C ATOM 1577 C ALA A 97 -8.885 5.995 -4.573 1.00 0.60 C ATOM 1578 O ALA A 97 -8.838 6.463 -3.437 1.00 0.92 O ATOM 1579 CB ALA A 97 -9.185 6.883 -6.865 1.00 0.55 C ATOM 0 H ALA A 97 -10.219 8.060 -4.251 1.00 0.84 H new ATOM 0 HA ALA A 97 -10.606 5.671 -5.807 1.00 0.62 H new ATOM 0 HB1 ALA A 97 -8.623 6.033 -7.252 1.00 0.55 H new ATOM 0 HB2 ALA A 97 -9.916 7.203 -7.607 1.00 0.55 H new ATOM 0 HB3 ALA A 97 -8.501 7.704 -6.652 1.00 0.55 H new ATOM 1585 N ILE A 98 -8.077 5.060 -5.015 1.00 0.39 N ATOM 1586 CA ILE A 98 -6.963 4.560 -4.253 1.00 0.34 C ATOM 1587 C ILE A 98 -5.753 5.444 -4.500 1.00 0.32 C ATOM 1588 O ILE A 98 -5.344 5.659 -5.645 1.00 0.35 O ATOM 1589 CB ILE A 98 -6.645 3.108 -4.655 1.00 0.37 C ATOM 1590 CG1 ILE A 98 -7.803 2.200 -4.233 1.00 0.46 C ATOM 1591 CG2 ILE A 98 -5.318 2.638 -4.025 1.00 0.38 C ATOM 1592 CD1 ILE A 98 -7.680 1.713 -2.828 1.00 0.50 C ATOM 0 H ILE A 98 -8.179 4.620 -5.929 1.00 0.39 H new ATOM 0 HA ILE A 98 -7.218 4.575 -3.193 1.00 0.34 H new ATOM 0 HB ILE A 98 -6.528 3.056 -5.737 1.00 0.37 H new ATOM 0 HG12 ILE A 98 -8.742 2.743 -4.343 1.00 0.46 H new ATOM 0 HG13 ILE A 98 -7.850 1.344 -4.906 1.00 0.46 H new ATOM 0 HG21 ILE A 98 -5.117 1.609 -4.325 1.00 0.38 H new ATOM 0 HG22 ILE A 98 -4.506 3.280 -4.365 1.00 0.38 H new ATOM 0 HG23 ILE A 98 -5.392 2.691 -2.939 1.00 0.38 H new ATOM 0 HD11 ILE A 98 -8.530 1.075 -2.588 1.00 0.50 H new ATOM 0 HD12 ILE A 98 -6.757 1.144 -2.720 1.00 0.50 H new ATOM 0 HD13 ILE A 98 -7.663 2.565 -2.148 1.00 0.50 H new ATOM 1604 N TYR A 99 -5.210 5.982 -3.434 1.00 0.40 N ATOM 1605 CA TYR A 99 -4.031 6.829 -3.533 1.00 0.53 C ATOM 1606 C TYR A 99 -2.801 5.942 -3.606 1.00 0.63 C ATOM 1607 O TYR A 99 -2.768 4.897 -2.970 1.00 0.86 O ATOM 1608 CB TYR A 99 -3.952 7.788 -2.343 1.00 0.79 C ATOM 1609 CG TYR A 99 -5.000 8.887 -2.361 1.00 1.11 C ATOM 1610 CD1 TYR A 99 -6.285 8.655 -2.845 1.00 1.77 C ATOM 1611 CD2 TYR A 99 -4.706 10.158 -1.886 1.00 1.50 C ATOM 1612 CE1 TYR A 99 -7.237 9.653 -2.857 1.00 2.60 C ATOM 1613 CE2 TYR A 99 -5.655 11.162 -1.893 1.00 2.26 C ATOM 1614 CZ TYR A 99 -6.918 10.905 -2.381 1.00 2.77 C ATOM 1615 OH TYR A 99 -7.867 11.902 -2.388 1.00 3.67 O ATOM 0 H TYR A 99 -5.561 5.852 -2.485 1.00 0.40 H new ATOM 0 HA TYR A 99 -4.089 7.439 -4.434 1.00 0.53 H new ATOM 0 HB2 TYR A 99 -4.057 7.216 -1.421 1.00 0.79 H new ATOM 0 HB3 TYR A 99 -2.962 8.245 -2.323 1.00 0.79 H new ATOM 0 HD1 TYR A 99 -6.541 7.674 -3.218 1.00 1.77 H new ATOM 0 HD2 TYR A 99 -3.717 10.366 -1.504 1.00 1.50 H new ATOM 0 HE1 TYR A 99 -8.228 9.453 -3.238 1.00 2.60 H new ATOM 0 HE2 TYR A 99 -5.408 12.144 -1.518 1.00 2.26 H new ATOM 0 HH TYR A 99 -7.481 12.723 -2.018 1.00 3.67 H new ATOM 1625 N PHE A 100 -1.811 6.331 -4.395 1.00 0.72 N ATOM 1626 CA PHE A 100 -0.678 5.450 -4.643 1.00 0.91 C ATOM 1627 C PHE A 100 0.539 6.234 -5.122 1.00 1.25 C ATOM 1628 O PHE A 100 0.889 6.197 -6.301 1.00 1.90 O ATOM 1629 CB PHE A 100 -1.089 4.419 -5.695 1.00 1.20 C ATOM 1630 CG PHE A 100 -0.151 3.256 -5.872 1.00 1.73 C ATOM 1631 CD1 PHE A 100 0.737 2.892 -4.877 1.00 2.22 C ATOM 1632 CD2 PHE A 100 -0.178 2.515 -7.042 1.00 2.19 C ATOM 1633 CE1 PHE A 100 1.582 1.814 -5.046 1.00 2.83 C ATOM 1634 CE2 PHE A 100 0.666 1.438 -7.218 1.00 2.91 C ATOM 1635 CZ PHE A 100 1.547 1.086 -6.218 1.00 3.12 C ATOM 0 H PHE A 100 -1.767 7.234 -4.867 1.00 0.72 H new ATOM 0 HA PHE A 100 -0.400 4.953 -3.714 1.00 0.91 H new ATOM 0 HB2 PHE A 100 -2.073 4.031 -5.432 1.00 1.20 H new ATOM 0 HB3 PHE A 100 -1.193 4.927 -6.654 1.00 1.20 H new ATOM 0 HD1 PHE A 100 0.770 3.457 -3.957 1.00 2.22 H new ATOM 0 HD2 PHE A 100 -0.869 2.784 -7.827 1.00 2.19 H new ATOM 0 HE1 PHE A 100 2.271 1.540 -4.261 1.00 2.83 H new ATOM 0 HE2 PHE A 100 0.637 0.872 -8.137 1.00 2.91 H new ATOM 0 HZ PHE A 100 2.208 0.243 -6.351 1.00 3.12 H new ATOM 1645 N LYS A 101 1.178 6.948 -4.207 1.00 1.07 N ATOM 1646 CA LYS A 101 2.371 7.724 -4.539 1.00 1.43 C ATOM 1647 C LYS A 101 3.291 7.845 -3.336 1.00 1.37 C ATOM 1648 O LYS A 101 2.830 7.905 -2.194 1.00 1.55 O ATOM 1649 CB LYS A 101 1.999 9.123 -5.044 1.00 2.06 C ATOM 1650 CG LYS A 101 1.623 9.177 -6.519 1.00 2.92 C ATOM 1651 CD LYS A 101 2.585 10.054 -7.309 1.00 3.76 C ATOM 1652 CE LYS A 101 3.975 9.439 -7.379 1.00 4.58 C ATOM 1653 NZ LYS A 101 4.956 10.347 -8.027 1.00 5.15 N ATOM 0 H LYS A 101 0.893 7.008 -3.229 1.00 1.07 H new ATOM 0 HA LYS A 101 2.894 7.192 -5.334 1.00 1.43 H new ATOM 0 HB2 LYS A 101 1.163 9.499 -4.454 1.00 2.06 H new ATOM 0 HB3 LYS A 101 2.840 9.795 -4.870 1.00 2.06 H new ATOM 0 HG2 LYS A 101 1.625 8.169 -6.933 1.00 2.92 H new ATOM 0 HG3 LYS A 101 0.609 9.562 -6.623 1.00 2.92 H new ATOM 0 HD2 LYS A 101 2.200 10.200 -8.318 1.00 3.76 H new ATOM 0 HD3 LYS A 101 2.645 11.039 -6.845 1.00 3.76 H new ATOM 0 HE2 LYS A 101 4.315 9.198 -6.372 1.00 4.58 H new ATOM 0 HE3 LYS A 101 3.929 8.501 -7.933 1.00 4.58 H new ATOM 0 HZ1 LYS A 101 5.835 9.826 -8.222 1.00 5.15 H new ATOM 0 HZ2 LYS A 101 4.560 10.706 -8.919 1.00 5.15 H new ATOM 0 HZ3 LYS A 101 5.161 11.146 -7.393 1.00 5.15 H new ATOM 1667 N MET A 102 4.591 7.866 -3.594 1.00 1.76 N ATOM 1668 CA MET A 102 5.572 8.077 -2.549 1.00 2.21 C ATOM 1669 C MET A 102 6.421 9.295 -2.870 1.00 2.42 C ATOM 1670 O MET A 102 7.482 9.186 -3.483 1.00 2.62 O ATOM 1671 CB MET A 102 6.475 6.854 -2.410 1.00 2.82 C ATOM 1672 CG MET A 102 7.513 6.996 -1.312 1.00 3.61 C ATOM 1673 SD MET A 102 8.659 5.609 -1.245 1.00 4.57 S ATOM 1674 CE MET A 102 9.546 5.840 -2.783 1.00 5.14 C ATOM 0 H MET A 102 4.988 7.738 -4.525 1.00 1.76 H new ATOM 0 HA MET A 102 5.044 8.239 -1.609 1.00 2.21 H new ATOM 0 HB2 MET A 102 5.859 5.978 -2.207 1.00 2.82 H new ATOM 0 HB3 MET A 102 6.982 6.675 -3.358 1.00 2.82 H new ATOM 0 HG2 MET A 102 8.075 7.917 -1.467 1.00 3.61 H new ATOM 0 HG3 MET A 102 7.007 7.089 -0.351 1.00 3.61 H new ATOM 0 HE1 MET A 102 10.376 5.135 -2.834 1.00 5.14 H new ATOM 0 HE2 MET A 102 8.871 5.667 -3.622 1.00 5.14 H new ATOM 0 HE3 MET A 102 9.932 6.858 -2.831 1.00 5.14 H new ATOM 1684 N ASP A 103 5.947 10.453 -2.462 1.00 2.92 N ATOM 1685 CA ASP A 103 6.703 11.680 -2.621 1.00 3.46 C ATOM 1686 C ASP A 103 6.917 12.327 -1.265 1.00 3.62 C ATOM 1687 O ASP A 103 6.599 11.728 -0.233 1.00 3.77 O ATOM 1688 CB ASP A 103 5.988 12.653 -3.564 1.00 4.39 C ATOM 1689 CG ASP A 103 5.961 12.181 -5.007 1.00 5.03 C ATOM 1690 OD1 ASP A 103 7.042 11.879 -5.556 1.00 5.64 O ATOM 1691 OD2 ASP A 103 4.864 12.137 -5.607 1.00 5.25 O ATOM 0 H ASP A 103 5.038 10.572 -2.016 1.00 2.92 H new ATOM 0 HA ASP A 103 7.669 11.435 -3.063 1.00 3.46 H new ATOM 0 HB2 ASP A 103 4.965 12.798 -3.217 1.00 4.39 H new ATOM 0 HB3 ASP A 103 6.482 13.624 -3.516 1.00 4.39 H new ATOM 1696 N GLU A 104 7.457 13.534 -1.258 1.00 4.02 N ATOM 1697 CA GLU A 104 7.546 14.310 -0.032 1.00 4.43 C ATOM 1698 C GLU A 104 6.145 14.763 0.354 1.00 4.28 C ATOM 1699 O GLU A 104 5.779 14.806 1.529 1.00 4.73 O ATOM 1700 CB GLU A 104 8.464 15.508 -0.230 1.00 4.95 C ATOM 1701 CG GLU A 104 8.688 16.329 1.025 1.00 5.34 C ATOM 1702 CD GLU A 104 9.572 17.531 0.778 1.00 6.03 C ATOM 1703 OE1 GLU A 104 10.802 17.421 0.968 1.00 6.26 O ATOM 1704 OE2 GLU A 104 9.043 18.595 0.397 1.00 6.61 O ATOM 0 H GLU A 104 7.839 13.996 -2.083 1.00 4.02 H new ATOM 0 HA GLU A 104 7.966 13.699 0.767 1.00 4.43 H new ATOM 0 HB2 GLU A 104 9.428 15.157 -0.599 1.00 4.95 H new ATOM 0 HB3 GLU A 104 8.043 16.152 -1.002 1.00 4.95 H new ATOM 0 HG2 GLU A 104 7.726 16.663 1.414 1.00 5.34 H new ATOM 0 HG3 GLU A 104 9.141 15.700 1.791 1.00 5.34 H new ATOM 1711 N ARG A 105 5.368 15.067 -0.673 1.00 3.93 N ATOM 1712 CA ARG A 105 3.963 15.422 -0.535 1.00 3.96 C ATOM 1713 C ARG A 105 3.121 14.173 -0.253 1.00 3.41 C ATOM 1714 O ARG A 105 3.602 13.044 -0.407 1.00 3.35 O ATOM 1715 CB ARG A 105 3.485 16.057 -1.843 1.00 4.49 C ATOM 1716 CG ARG A 105 3.597 15.099 -3.016 1.00 4.98 C ATOM 1717 CD ARG A 105 3.178 15.725 -4.328 1.00 5.81 C ATOM 1718 NE ARG A 105 3.383 14.795 -5.436 1.00 6.29 N ATOM 1719 CZ ARG A 105 3.013 15.032 -6.688 1.00 7.10 C ATOM 1720 NH1 ARG A 105 2.407 16.168 -7.003 1.00 7.50 N ATOM 1721 NH2 ARG A 105 3.252 14.126 -7.626 1.00 7.74 N ATOM 0 H ARG A 105 5.698 15.075 -1.638 1.00 3.93 H new ATOM 0 HA ARG A 105 3.851 16.120 0.295 1.00 3.96 H new ATOM 0 HB2 ARG A 105 2.448 16.376 -1.733 1.00 4.49 H new ATOM 0 HB3 ARG A 105 4.074 16.951 -2.048 1.00 4.49 H new ATOM 0 HG2 ARG A 105 4.627 14.751 -3.098 1.00 4.98 H new ATOM 0 HG3 ARG A 105 2.978 14.222 -2.823 1.00 4.98 H new ATOM 0 HD2 ARG A 105 2.128 16.014 -4.279 1.00 5.81 H new ATOM 0 HD3 ARG A 105 3.751 16.636 -4.501 1.00 5.81 H new ATOM 0 HE ARG A 105 3.840 13.906 -5.234 1.00 6.29 H new ATOM 0 HH11 ARG A 105 2.223 16.865 -6.281 1.00 7.50 H new ATOM 0 HH12 ARG A 105 2.125 16.345 -7.967 1.00 7.50 H new ATOM 0 HH21 ARG A 105 3.718 13.252 -7.384 1.00 7.74 H new ATOM 0 HH22 ARG A 105 2.970 14.303 -8.590 1.00 7.74 H new ATOM 1735 N PRO A 106 1.859 14.356 0.171 1.00 3.33 N ATOM 1736 CA PRO A 106 0.890 13.256 0.271 1.00 3.10 C ATOM 1737 C PRO A 106 0.617 12.623 -1.099 1.00 2.43 C ATOM 1738 O PRO A 106 0.828 13.257 -2.139 1.00 2.29 O ATOM 1739 CB PRO A 106 -0.378 13.940 0.805 1.00 3.53 C ATOM 1740 CG PRO A 106 0.097 15.206 1.427 1.00 4.00 C ATOM 1741 CD PRO A 106 1.283 15.635 0.618 1.00 3.83 C ATOM 0 HA PRO A 106 1.246 12.446 0.907 1.00 3.10 H new ATOM 0 HB2 PRO A 106 -1.088 14.138 0.001 1.00 3.53 H new ATOM 0 HB3 PRO A 106 -0.889 13.310 1.533 1.00 3.53 H new ATOM 0 HG2 PRO A 106 -0.683 15.967 1.411 1.00 4.00 H new ATOM 0 HG3 PRO A 106 0.370 15.051 2.471 1.00 4.00 H new ATOM 0 HD2 PRO A 106 0.991 16.263 -0.224 1.00 3.83 H new ATOM 0 HD3 PRO A 106 1.991 16.210 1.214 1.00 3.83 H new ATOM 1749 N PRO A 107 0.147 11.363 -1.123 1.00 2.31 N ATOM 1750 CA PRO A 107 -0.132 10.644 -2.371 1.00 1.85 C ATOM 1751 C PRO A 107 -1.385 11.165 -3.068 1.00 1.51 C ATOM 1752 O PRO A 107 -2.055 12.064 -2.564 1.00 1.80 O ATOM 1753 CB PRO A 107 -0.341 9.207 -1.904 1.00 2.23 C ATOM 1754 CG PRO A 107 -0.879 9.353 -0.527 1.00 2.91 C ATOM 1755 CD PRO A 107 -0.166 10.540 0.060 1.00 2.93 C ATOM 0 HA PRO A 107 0.669 10.759 -3.101 1.00 1.85 H new ATOM 0 HB2 PRO A 107 -1.038 8.674 -2.551 1.00 2.23 H new ATOM 0 HB3 PRO A 107 0.593 8.645 -1.910 1.00 2.23 H new ATOM 0 HG2 PRO A 107 -1.957 9.511 -0.542 1.00 2.91 H new ATOM 0 HG3 PRO A 107 -0.697 8.455 0.063 1.00 2.91 H new ATOM 0 HD2 PRO A 107 -0.795 11.077 0.770 1.00 2.93 H new ATOM 0 HD3 PRO A 107 0.736 10.244 0.595 1.00 2.93 H new ATOM 1763 N GLN A 108 -1.718 10.581 -4.212 1.00 1.09 N ATOM 1764 CA GLN A 108 -2.826 11.081 -5.009 1.00 0.94 C ATOM 1765 C GLN A 108 -3.578 9.927 -5.659 1.00 0.70 C ATOM 1766 O GLN A 108 -3.027 8.832 -5.797 1.00 0.64 O ATOM 1767 CB GLN A 108 -2.312 12.065 -6.071 1.00 1.18 C ATOM 1768 CG GLN A 108 -1.233 11.492 -6.977 1.00 1.72 C ATOM 1769 CD GLN A 108 -0.710 12.497 -7.988 1.00 2.15 C ATOM 1770 OE1 GLN A 108 -0.699 13.768 -7.618 1.00 2.57 O flip ATOM 1771 NE2 GLN A 108 -0.307 12.129 -9.092 1.00 2.71 N flip ATOM 0 H GLN A 108 -1.241 9.769 -4.604 1.00 1.09 H new ATOM 0 HA GLN A 108 -3.519 11.611 -4.355 1.00 0.94 H new ATOM 0 HB2 GLN A 108 -3.151 12.392 -6.685 1.00 1.18 H new ATOM 0 HB3 GLN A 108 -1.919 12.950 -5.571 1.00 1.18 H new ATOM 0 HG2 GLN A 108 -0.404 11.136 -6.365 1.00 1.72 H new ATOM 0 HG3 GLN A 108 -1.633 10.627 -7.506 1.00 1.72 H new ATOM 0 HE21 GLN A 108 -0.332 11.140 -9.340 1.00 2.71 H new ATOM 0 HE22 GLN A 108 0.052 12.813 -9.758 1.00 2.71 H new ATOM 1780 N PRO A 109 -4.854 10.156 -6.031 1.00 0.68 N ATOM 1781 CA PRO A 109 -5.695 9.152 -6.700 1.00 0.55 C ATOM 1782 C PRO A 109 -5.016 8.559 -7.930 1.00 0.56 C ATOM 1783 O PRO A 109 -4.926 9.212 -8.970 1.00 0.80 O ATOM 1784 CB PRO A 109 -6.929 9.950 -7.120 1.00 0.65 C ATOM 1785 CG PRO A 109 -7.005 11.072 -6.150 1.00 0.82 C ATOM 1786 CD PRO A 109 -5.583 11.425 -5.821 1.00 0.91 C ATOM 0 HA PRO A 109 -5.913 8.305 -6.050 1.00 0.55 H new ATOM 0 HB2 PRO A 109 -6.834 10.317 -8.142 1.00 0.65 H new ATOM 0 HB3 PRO A 109 -7.828 9.335 -7.085 1.00 0.65 H new ATOM 0 HG2 PRO A 109 -7.530 11.925 -6.579 1.00 0.82 H new ATOM 0 HG3 PRO A 109 -7.552 10.778 -5.254 1.00 0.82 H new ATOM 0 HD2 PRO A 109 -5.206 12.216 -6.469 1.00 0.91 H new ATOM 0 HD3 PRO A 109 -5.485 11.779 -4.795 1.00 0.91 H new ATOM 1794 N LEU A 110 -4.544 7.329 -7.813 1.00 0.49 N ATOM 1795 CA LEU A 110 -3.782 6.716 -8.889 1.00 0.61 C ATOM 1796 C LEU A 110 -4.285 5.303 -9.179 1.00 0.51 C ATOM 1797 O LEU A 110 -3.937 4.698 -10.190 1.00 0.62 O ATOM 1798 CB LEU A 110 -2.292 6.736 -8.510 1.00 0.83 C ATOM 1799 CG LEU A 110 -1.269 6.417 -9.617 1.00 1.22 C ATOM 1800 CD1 LEU A 110 -1.012 4.920 -9.723 1.00 1.89 C ATOM 1801 CD2 LEU A 110 -1.731 6.973 -10.953 1.00 1.61 C ATOM 0 H LEU A 110 -4.673 6.739 -6.991 1.00 0.49 H new ATOM 0 HA LEU A 110 -3.916 7.283 -9.810 1.00 0.61 H new ATOM 0 HB2 LEU A 110 -2.060 7.724 -8.113 1.00 0.83 H new ATOM 0 HB3 LEU A 110 -2.142 6.023 -7.699 1.00 0.83 H new ATOM 0 HG LEU A 110 -0.330 6.899 -9.346 1.00 1.22 H new ATOM 0 HD11 LEU A 110 -0.286 4.731 -10.513 1.00 1.89 H new ATOM 0 HD12 LEU A 110 -0.621 4.550 -8.775 1.00 1.89 H new ATOM 0 HD13 LEU A 110 -1.945 4.406 -9.957 1.00 1.89 H new ATOM 0 HD21 LEU A 110 -0.994 6.736 -11.720 1.00 1.61 H new ATOM 0 HD22 LEU A 110 -2.689 6.528 -11.221 1.00 1.61 H new ATOM 0 HD23 LEU A 110 -1.842 8.055 -10.878 1.00 1.61 H new ATOM 1813 N ASN A 111 -5.161 4.806 -8.330 1.00 0.42 N ATOM 1814 CA ASN A 111 -5.730 3.487 -8.514 1.00 0.48 C ATOM 1815 C ASN A 111 -7.141 3.601 -8.043 1.00 0.42 C ATOM 1816 O ASN A 111 -7.492 4.620 -7.477 1.00 0.50 O ATOM 1817 CB ASN A 111 -4.969 2.402 -7.723 1.00 0.60 C ATOM 1818 CG ASN A 111 -4.659 1.188 -8.574 1.00 1.17 C ATOM 1819 OD1 ASN A 111 -4.467 1.295 -9.785 1.00 1.86 O ATOM 1820 ND2 ASN A 111 -4.622 0.023 -7.952 1.00 1.75 N ATOM 0 H ASN A 111 -5.496 5.299 -7.502 1.00 0.42 H new ATOM 0 HA ASN A 111 -5.665 3.177 -9.557 1.00 0.48 H new ATOM 0 HB2 ASN A 111 -4.039 2.820 -7.337 1.00 0.60 H new ATOM 0 HB3 ASN A 111 -5.564 2.098 -6.862 1.00 0.60 H new ATOM 0 HD21 ASN A 111 -4.429 -0.830 -8.477 1.00 1.75 H new ATOM 0 HD22 ASN A 111 -4.787 -0.024 -6.946 1.00 1.75 H new ATOM 1827 N LYS A 112 -7.970 2.630 -8.279 1.00 0.59 N ATOM 1828 CA LYS A 112 -9.304 2.718 -7.780 1.00 0.60 C ATOM 1829 C LYS A 112 -9.785 1.396 -7.266 1.00 0.72 C ATOM 1830 O LYS A 112 -9.526 0.343 -7.849 1.00 0.84 O ATOM 1831 CB LYS A 112 -10.239 3.227 -8.857 1.00 0.72 C ATOM 1832 CG LYS A 112 -10.237 2.405 -10.135 1.00 1.33 C ATOM 1833 CD LYS A 112 -11.268 2.918 -11.126 1.00 1.68 C ATOM 1834 CE LYS A 112 -11.321 2.057 -12.379 1.00 2.31 C ATOM 1835 NZ LYS A 112 -10.035 2.066 -13.120 1.00 2.93 N ATOM 0 H LYS A 112 -7.751 1.783 -8.804 1.00 0.59 H new ATOM 0 HA LYS A 112 -9.300 3.423 -6.948 1.00 0.60 H new ATOM 0 HB2 LYS A 112 -11.253 3.252 -8.458 1.00 0.72 H new ATOM 0 HB3 LYS A 112 -9.967 4.254 -9.100 1.00 0.72 H new ATOM 0 HG2 LYS A 112 -9.246 2.438 -10.589 1.00 1.33 H new ATOM 0 HG3 LYS A 112 -10.445 1.362 -9.899 1.00 1.33 H new ATOM 0 HD2 LYS A 112 -12.250 2.934 -10.654 1.00 1.68 H new ATOM 0 HD3 LYS A 112 -11.029 3.946 -11.400 1.00 1.68 H new ATOM 0 HE2 LYS A 112 -11.573 1.033 -12.104 1.00 2.31 H new ATOM 0 HE3 LYS A 112 -12.117 2.416 -13.031 1.00 2.31 H new ATOM 0 HZ1 LYS A 112 -10.160 1.595 -14.039 1.00 2.93 H new ATOM 0 HZ2 LYS A 112 -9.730 3.048 -13.273 1.00 2.93 H new ATOM 0 HZ3 LYS A 112 -9.313 1.561 -12.568 1.00 2.93 H new ATOM 1849 N TRP A 113 -10.482 1.469 -6.164 1.00 0.77 N ATOM 1850 CA TRP A 113 -11.133 0.327 -5.606 1.00 0.97 C ATOM 1851 C TRP A 113 -12.357 0.007 -6.440 1.00 1.02 C ATOM 1852 O TRP A 113 -12.679 0.717 -7.394 1.00 1.12 O ATOM 1853 CB TRP A 113 -11.518 0.581 -4.160 1.00 1.07 C ATOM 1854 CG TRP A 113 -12.180 1.915 -3.958 1.00 0.99 C ATOM 1855 CD1 TRP A 113 -11.578 3.073 -3.555 1.00 0.86 C ATOM 1856 CD2 TRP A 113 -13.562 2.235 -4.171 1.00 1.35 C ATOM 1857 NE1 TRP A 113 -12.495 4.091 -3.513 1.00 1.06 N ATOM 1858 CE2 TRP A 113 -13.720 3.602 -3.883 1.00 1.36 C ATOM 1859 CE3 TRP A 113 -14.680 1.500 -4.579 1.00 1.82 C ATOM 1860 CZ2 TRP A 113 -14.947 4.249 -3.992 1.00 1.79 C ATOM 1861 CZ3 TRP A 113 -15.897 2.142 -4.684 1.00 2.23 C ATOM 1862 CH2 TRP A 113 -16.022 3.505 -4.392 1.00 2.20 C ATOM 0 H TRP A 113 -10.611 2.328 -5.630 1.00 0.77 H new ATOM 0 HA TRP A 113 -10.452 -0.524 -5.619 1.00 0.97 H new ATOM 0 HB2 TRP A 113 -12.191 -0.208 -3.824 1.00 1.07 H new ATOM 0 HB3 TRP A 113 -10.626 0.525 -3.536 1.00 1.07 H new ATOM 0 HD1 TRP A 113 -10.532 3.172 -3.306 1.00 0.86 H new ATOM 0 HE1 TRP A 113 -12.297 5.056 -3.249 1.00 1.06 H new ATOM 0 HE3 TRP A 113 -14.592 0.448 -4.808 1.00 1.82 H new ATOM 0 HZ2 TRP A 113 -15.047 5.301 -3.769 1.00 1.79 H new ATOM 0 HZ3 TRP A 113 -16.767 1.584 -4.997 1.00 2.23 H new ATOM 0 HH2 TRP A 113 -16.988 3.979 -4.485 1.00 2.20 H new ATOM 1873 N ARG A 114 -13.040 -1.041 -6.076 1.00 1.34 N ATOM 1874 CA ARG A 114 -14.060 -1.596 -6.922 1.00 1.50 C ATOM 1875 C ARG A 114 -15.251 -2.017 -6.097 1.00 1.82 C ATOM 1876 O ARG A 114 -15.268 -1.853 -4.882 1.00 2.41 O ATOM 1877 CB ARG A 114 -13.414 -2.761 -7.661 1.00 1.80 C ATOM 1878 CG ARG A 114 -14.314 -3.797 -8.321 1.00 2.76 C ATOM 1879 CD ARG A 114 -13.503 -4.962 -8.869 1.00 3.56 C ATOM 1880 NE ARG A 114 -12.405 -4.513 -9.724 1.00 4.38 N ATOM 1881 CZ ARG A 114 -11.539 -5.328 -10.323 1.00 5.34 C ATOM 1882 NH1 ARG A 114 -11.646 -6.642 -10.183 1.00 5.63 N ATOM 1883 NH2 ARG A 114 -10.564 -4.827 -11.064 1.00 6.29 N ATOM 0 H ARG A 114 -12.908 -1.532 -5.192 1.00 1.34 H new ATOM 0 HA ARG A 114 -14.441 -0.870 -7.640 1.00 1.50 H new ATOM 0 HB2 ARG A 114 -12.767 -2.345 -8.433 1.00 1.80 H new ATOM 0 HB3 ARG A 114 -12.770 -3.285 -6.954 1.00 1.80 H new ATOM 0 HG2 ARG A 114 -15.041 -4.165 -7.597 1.00 2.76 H new ATOM 0 HG3 ARG A 114 -14.878 -3.331 -9.129 1.00 2.76 H new ATOM 0 HD2 ARG A 114 -13.102 -5.545 -8.040 1.00 3.56 H new ATOM 0 HD3 ARG A 114 -14.157 -5.623 -9.437 1.00 3.56 H new ATOM 0 HE ARG A 114 -12.295 -3.510 -9.871 1.00 4.38 H new ATOM 0 HH11 ARG A 114 -12.395 -7.035 -9.613 1.00 5.63 H new ATOM 0 HH12 ARG A 114 -10.979 -7.260 -10.645 1.00 5.63 H new ATOM 0 HH21 ARG A 114 -10.476 -3.817 -11.176 1.00 6.29 H new ATOM 0 HH22 ARG A 114 -9.900 -5.451 -11.523 1.00 6.29 H new ATOM 1897 N SER A 115 -16.222 -2.554 -6.778 1.00 2.02 N ATOM 1898 CA SER A 115 -17.456 -3.004 -6.167 1.00 2.76 C ATOM 1899 C SER A 115 -18.292 -3.767 -7.187 1.00 3.19 C ATOM 1900 O SER A 115 -18.783 -3.133 -8.145 1.00 3.60 O ATOM 1901 CB SER A 115 -18.233 -1.812 -5.607 1.00 3.33 C ATOM 1902 OG SER A 115 -18.477 -0.843 -6.614 1.00 4.01 O ATOM 1903 OXT SER A 115 -18.446 -4.994 -7.034 1.00 3.62 O ATOM 0 H SER A 115 -16.186 -2.697 -7.787 1.00 2.02 H new ATOM 0 HA SER A 115 -17.222 -3.676 -5.341 1.00 2.76 H new ATOM 0 HB2 SER A 115 -19.180 -2.155 -5.190 1.00 3.33 H new ATOM 0 HB3 SER A 115 -17.671 -1.359 -4.790 1.00 3.33 H new ATOM 0 HG SER A 115 -18.722 -1.294 -7.449 1.00 4.01 H new TER 1909 SER A 115