USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 586 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 55 THR OG1 : rot 142:sc= 0.379 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.257 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.0261 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.0189 X(o=0.045,f=0.0086) USER MOD Set 3.1: A 7 THR OG1 : rot 156:sc= 1.83 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 1.1 USER MOD Single : A 1 MET CE :methyl 170:sc= -0.695 (180deg=-0.972) USER MOD Single : A 1 MET N :NH3+ -175:sc= 1.22 (180deg=1.17) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -147:sc= 0.998 (180deg=0.176) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -92:sc= 0.0517 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 174:sc= 2.23 (180deg=2.08) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0232 X(o=-0.023,f=-0.11) USER MOD Single : A 33 LYS NZ :NH3+ -128:sc= -0.218 (180deg=-1.09) USER MOD Single : A 40 GLN : amide:sc=-0.00501 K(o=-0.005,f=-0.74) USER MOD Single : A 41 GLN : amide:sc= 1.78 K(o=1.8,f=-4.3!) USER MOD Single : A 48 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.272) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.0034) USER MOD Single : A 59 TYR OH : rot 30:sc= -0.611 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.572 K(o=-0.57,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0228) USER MOD Single : A 65 SER OG : rot 179:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.00814 X(o=0.0081,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.727 -6.963 -4.943 1.00 9.67 N ATOM 2 CA MET A 1 11.410 -6.744 -3.505 1.00 10.38 C ATOM 3 C MET A 1 10.124 -7.329 -3.085 1.00 9.62 C ATOM 4 O MET A 1 9.066 -7.045 -3.670 1.00 9.62 O ATOM 5 CB MET A 1 11.433 -5.230 -3.165 1.00 13.77 C ATOM 6 CG MET A 1 11.406 -4.818 -1.654 1.00 16.29 C ATOM 7 SD MET A 1 11.799 -3.096 -1.326 1.00 17.17 S ATOM 8 CE MET A 1 10.133 -2.348 -1.460 1.00 16.11 C ATOM 0 H1 MET A 1 12.680 -6.601 -5.148 1.00 9.67 H new ATOM 0 H2 MET A 1 11.691 -7.980 -5.155 1.00 9.67 H new ATOM 0 H3 MET A 1 11.032 -6.461 -5.532 1.00 9.67 H new ATOM 0 HA MET A 1 12.188 -7.265 -2.947 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.329 -4.800 -3.613 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.577 -4.764 -3.654 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.415 -5.031 -1.253 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.112 -5.446 -1.110 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.168 -1.316 -1.111 1.00 16.11 H new ATOM 0 HE2 MET A 1 9.808 -2.368 -2.500 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.430 -2.914 -0.849 1.00 16.11 H new ATOM 20 N GLN A 2 10.170 -8.234 -2.064 1.00 9.27 N ATOM 21 CA GLN A 2 8.920 -8.859 -1.515 1.00 9.07 C ATOM 22 C GLN A 2 8.355 -7.995 -0.394 1.00 8.72 C ATOM 23 O GLN A 2 9.106 -7.498 0.431 1.00 8.22 O ATOM 24 CB GLN A 2 9.101 -10.334 -1.054 1.00 14.46 C ATOM 25 CG GLN A 2 7.785 -11.060 -0.645 1.00 17.01 C ATOM 26 CD GLN A 2 7.978 -12.453 -0.058 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.309 -12.587 1.101 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.949 -13.495 -0.945 1.00 19.49 N ATOM 0 H GLN A 2 11.031 -8.543 -1.613 1.00 9.27 H new ATOM 0 HA GLN A 2 8.206 -8.902 -2.338 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.573 -10.896 -1.860 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.787 -10.353 -0.207 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.259 -10.444 0.084 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.142 -11.137 -1.522 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.664 -13.335 -1.911 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.213 -14.432 -0.640 1.00 19.49 H new ATOM 37 N ILE A 3 7.012 -7.864 -0.333 1.00 5.87 N ATOM 38 CA ILE A 3 6.333 -7.098 0.689 1.00 5.07 C ATOM 39 C ILE A 3 5.093 -7.792 1.204 1.00 4.01 C ATOM 40 O ILE A 3 4.517 -8.687 0.541 1.00 4.61 O ATOM 41 CB ILE A 3 6.014 -5.615 0.300 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.020 -5.562 -0.914 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.335 -4.812 -0.100 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.433 -4.131 -0.914 1.00 10.83 C ATOM 0 H ILE A 3 6.380 -8.298 -1.006 1.00 5.87 H new ATOM 0 HA ILE A 3 7.063 -7.043 1.497 1.00 5.07 H new ATOM 0 HB ILE A 3 5.564 -5.151 1.177 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.535 -5.774 -1.851 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.232 -6.308 -0.808 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.072 -3.787 -0.363 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.025 -4.804 0.743 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.810 -5.296 -0.953 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.729 -4.027 -1.740 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.916 -3.950 0.029 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.239 -3.407 -1.031 1.00 10.83 H new ATOM 56 N PHE A 4 4.722 -7.323 2.403 1.00 4.55 N ATOM 57 CA PHE A 4 3.528 -7.747 3.095 1.00 4.68 C ATOM 58 C PHE A 4 2.554 -6.617 3.155 1.00 5.30 C ATOM 59 O PHE A 4 2.920 -5.472 3.367 1.00 5.58 O ATOM 60 CB PHE A 4 3.869 -8.305 4.503 1.00 4.83 C ATOM 61 CG PHE A 4 4.824 -9.504 4.383 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.602 -10.600 3.531 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.921 -9.554 5.278 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.531 -11.679 3.479 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.789 -10.640 5.271 1.00 10.61 C ATOM 66 CZ PHE A 4 6.651 -11.663 4.298 1.00 8.90 C ATOM 0 H PHE A 4 5.262 -6.627 2.916 1.00 4.55 H new ATOM 0 HA PHE A 4 3.062 -8.563 2.543 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.328 -7.525 5.110 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.955 -8.609 5.013 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.719 -10.624 2.910 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.084 -8.742 5.971 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.364 -12.506 2.805 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.573 -10.705 6.011 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.411 -12.423 4.196 1.00 8.90 H new ATOM 76 N VAL A 5 1.281 -6.884 2.995 1.00 4.44 N ATOM 77 CA VAL A 5 0.187 -5.929 3.137 1.00 3.87 C ATOM 78 C VAL A 5 -0.863 -6.554 4.040 1.00 4.93 C ATOM 79 O VAL A 5 -1.359 -7.659 3.818 1.00 6.84 O ATOM 80 CB VAL A 5 -0.467 -5.514 1.834 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.800 -4.747 1.987 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.495 -4.755 0.916 1.00 9.13 C ATOM 0 H VAL A 5 0.954 -7.818 2.750 1.00 4.44 H new ATOM 0 HA VAL A 5 0.616 -5.018 3.554 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.727 -6.461 1.361 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.189 -4.494 1.001 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.522 -5.373 2.513 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.630 -3.833 2.556 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.021 -4.480 -0.004 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.844 -3.854 1.420 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.348 -5.390 0.677 1.00 9.13 H new ATOM 92 N LYS A 6 -1.157 -5.889 5.104 1.00 6.04 N ATOM 93 CA LYS A 6 -2.071 -6.412 6.127 1.00 6.12 C ATOM 94 C LYS A 6 -3.406 -5.562 6.084 1.00 6.57 C ATOM 95 O LYS A 6 -3.380 -4.342 6.228 1.00 5.76 O ATOM 96 CB LYS A 6 -1.418 -6.388 7.539 1.00 7.45 C ATOM 97 CG LYS A 6 -2.150 -7.197 8.568 1.00 11.12 C ATOM 98 CD LYS A 6 -1.445 -7.256 9.951 1.00 14.54 C ATOM 99 CE LYS A 6 -2.333 -7.874 11.101 1.00 18.84 C ATOM 100 NZ LYS A 6 -2.434 -9.391 10.843 1.00 20.55 N ATOM 0 H LYS A 6 -0.783 -4.963 5.313 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.300 -7.457 5.916 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.396 -6.759 7.461 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.357 -5.355 7.881 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -3.148 -6.780 8.699 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.276 -8.213 8.193 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.532 -7.843 9.856 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.147 -6.248 10.238 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.887 -7.680 12.076 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -3.324 -7.419 11.107 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -3.015 -9.831 11.585 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -2.874 -9.557 9.915 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.482 -9.809 10.854 1.00 20.55 H new ATOM 114 N THR A 7 -4.515 -6.276 5.870 1.00 7.41 N ATOM 115 CA THR A 7 -5.888 -5.809 5.763 1.00 7.48 C ATOM 116 C THR A 7 -6.589 -5.812 7.090 1.00 8.75 C ATOM 117 O THR A 7 -6.096 -6.361 8.067 1.00 8.58 O ATOM 118 CB THR A 7 -6.758 -6.574 4.707 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.296 -7.749 5.225 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.862 -7.082 3.542 1.00 9.17 C ATOM 0 H THR A 7 -4.462 -7.288 5.758 1.00 7.41 H new ATOM 0 HA THR A 7 -5.790 -4.784 5.404 1.00 7.48 H new ATOM 0 HB THR A 7 -7.529 -5.867 4.400 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.099 -7.992 4.718 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.477 -7.612 2.814 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.378 -6.233 3.059 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.102 -7.757 3.935 1.00 9.17 H new ATOM 128 N LEU A 8 -7.797 -5.101 7.138 1.00 9.84 N ATOM 129 CA LEU A 8 -8.695 -5.240 8.261 1.00 14.15 C ATOM 130 C LEU A 8 -9.723 -6.301 7.972 1.00 17.37 C ATOM 131 O LEU A 8 -10.668 -6.505 8.694 1.00 17.01 O ATOM 132 CB LEU A 8 -9.337 -3.907 8.524 1.00 16.63 C ATOM 133 CG LEU A 8 -8.331 -2.774 8.855 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.120 -1.456 9.006 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.563 -3.025 10.209 1.00 18.59 C ATOM 0 H LEU A 8 -8.116 -4.460 6.412 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.148 -5.552 9.151 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.919 -3.617 7.649 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.037 -4.010 9.353 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.600 -2.735 8.047 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.431 -0.644 9.239 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.640 -1.234 8.074 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.847 -1.558 9.812 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -6.872 -2.203 10.393 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.280 -3.087 11.028 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.006 -3.960 10.143 1.00 18.59 H new ATOM 147 N THR A 9 -9.573 -7.100 6.911 1.00 18.33 N ATOM 148 CA THR A 9 -10.535 -8.118 6.580 1.00 19.24 C ATOM 149 C THR A 9 -10.081 -9.455 7.134 1.00 19.48 C ATOM 150 O THR A 9 -10.731 -10.492 7.012 1.00 23.14 O ATOM 151 CB THR A 9 -10.764 -8.302 5.058 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.633 -8.769 4.324 1.00 20.24 O ATOM 153 CG2 THR A 9 -10.988 -6.907 4.490 1.00 19.70 C ATOM 0 H THR A 9 -8.781 -7.048 6.270 1.00 18.33 H new ATOM 0 HA THR A 9 -11.473 -7.783 7.022 1.00 19.24 H new ATOM 0 HB THR A 9 -11.574 -9.025 4.962 1.00 18.97 H new ATOM 0 HG1 THR A 9 -9.871 -8.856 3.377 1.00 20.24 H new ATOM 0 HG21 THR A 9 -11.156 -6.974 3.415 1.00 19.70 H new ATOM 0 HG22 THR A 9 -11.859 -6.456 4.966 1.00 19.70 H new ATOM 0 HG23 THR A 9 -10.110 -6.291 4.682 1.00 19.70 H new ATOM 161 N GLY A 10 -8.909 -9.456 7.864 1.00 19.43 N ATOM 162 CA GLY A 10 -8.409 -10.580 8.640 1.00 18.74 C ATOM 163 C GLY A 10 -7.147 -11.210 8.142 1.00 17.62 C ATOM 164 O GLY A 10 -6.513 -11.979 8.879 1.00 19.74 O ATOM 0 H GLY A 10 -8.296 -8.642 7.909 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -8.245 -10.245 9.664 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -9.184 -11.345 8.675 1.00 18.74 H new ATOM 168 N LYS A 11 -6.736 -10.840 6.954 1.00 13.56 N ATOM 169 CA LYS A 11 -5.591 -11.521 6.334 1.00 11.91 C ATOM 170 C LYS A 11 -4.385 -10.674 6.200 1.00 10.18 C ATOM 171 O LYS A 11 -4.484 -9.460 6.369 1.00 9.10 O ATOM 172 CB LYS A 11 -5.939 -12.119 4.977 1.00 13.43 C ATOM 173 CG LYS A 11 -6.201 -11.162 3.842 1.00 16.69 C ATOM 174 CD LYS A 11 -6.915 -11.893 2.717 1.00 17.92 C ATOM 175 CE LYS A 11 -7.372 -10.954 1.530 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.882 -11.748 0.439 1.00 21.93 N ATOM 0 H LYS A 11 -7.153 -10.094 6.398 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.351 -12.323 7.032 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -5.123 -12.778 4.680 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.824 -12.744 5.101 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -6.808 -10.326 4.190 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.261 -10.745 3.480 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.255 -12.665 2.322 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.790 -12.399 3.124 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -8.140 -10.263 1.877 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.531 -10.350 1.189 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.661 -11.281 -0.463 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.440 -12.689 0.459 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.913 -11.847 0.534 1.00 21.93 H new ATOM 190 N THR A 12 -3.232 -11.203 5.927 1.00 9.63 N ATOM 191 CA THR A 12 -2.038 -10.510 5.490 1.00 9.85 C ATOM 192 C THR A 12 -1.823 -11.112 4.100 1.00 11.66 C ATOM 193 O THR A 12 -1.839 -12.323 4.001 1.00 12.33 O ATOM 194 CB THR A 12 -0.808 -10.781 6.326 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.061 -10.509 7.702 1.00 10.91 O ATOM 196 CG2 THR A 12 0.281 -9.829 5.896 1.00 9.63 C ATOM 0 H THR A 12 -3.080 -12.208 6.007 1.00 9.63 H new ATOM 0 HA THR A 12 -2.171 -9.430 5.545 1.00 9.85 H new ATOM 0 HB THR A 12 -0.527 -11.826 6.193 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.253 -10.692 8.226 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.177 -10.010 6.489 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.506 -9.986 4.841 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.053 -8.802 6.047 1.00 9.63 H new ATOM 204 N ILE A 13 -1.609 -10.307 3.069 1.00 10.42 N ATOM 205 CA ILE A 13 -1.424 -10.737 1.638 1.00 11.84 C ATOM 206 C ILE A 13 -0.003 -10.349 1.347 1.00 10.55 C ATOM 207 O ILE A 13 0.594 -9.526 2.055 1.00 11.92 O ATOM 208 CB ILE A 13 -2.433 -10.144 0.711 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.720 -8.617 1.032 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.694 -11.029 0.915 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.360 -7.843 -0.145 1.00 16.46 C ATOM 0 H ILE A 13 -1.553 -9.295 3.181 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.591 -11.803 1.484 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.090 -10.139 -0.324 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.380 -8.555 1.898 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.784 -8.131 1.309 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.498 -10.671 0.272 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.459 -12.062 0.660 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.011 -10.976 1.956 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.527 -6.807 0.149 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.692 -7.873 -1.006 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.312 -8.303 -0.408 1.00 16.46 H new ATOM 223 N THR A 14 0.664 -10.930 0.285 1.00 9.39 N ATOM 224 CA THR A 14 2.035 -10.778 -0.004 1.00 9.63 C ATOM 225 C THR A 14 2.136 -10.336 -1.468 1.00 11.20 C ATOM 226 O THR A 14 1.376 -10.850 -2.312 1.00 11.63 O ATOM 227 CB THR A 14 2.730 -12.081 0.097 1.00 10.38 C ATOM 228 OG1 THR A 14 2.581 -12.594 1.430 1.00 16.30 O ATOM 229 CG2 THR A 14 4.240 -11.954 -0.149 1.00 11.66 C ATOM 0 H THR A 14 0.187 -11.532 -0.387 1.00 9.39 H new ATOM 0 HA THR A 14 2.480 -10.066 0.690 1.00 9.63 H new ATOM 0 HB THR A 14 2.288 -12.733 -0.656 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.342 -12.308 1.977 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.706 -12.936 -0.064 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.414 -11.555 -1.148 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.674 -11.281 0.591 1.00 11.66 H new ATOM 237 N LEU A 15 3.077 -9.407 -1.853 1.00 8.29 N ATOM 238 CA LEU A 15 3.217 -8.848 -3.161 1.00 9.03 C ATOM 239 C LEU A 15 4.712 -8.750 -3.448 1.00 8.59 C ATOM 240 O LEU A 15 5.538 -8.560 -2.555 1.00 7.79 O ATOM 241 CB LEU A 15 2.743 -7.406 -3.291 1.00 11.08 C ATOM 242 CG LEU A 15 1.293 -7.193 -2.917 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.864 -5.721 -2.971 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.422 -7.897 -3.973 1.00 15.27 C ATOM 0 H LEU A 15 3.768 -9.040 -1.198 1.00 8.29 H new ATOM 0 HA LEU A 15 2.629 -9.486 -3.821 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.366 -6.772 -2.660 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.893 -7.077 -4.319 1.00 11.08 H new ATOM 0 HG LEU A 15 1.174 -7.572 -1.902 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.186 -5.638 -2.692 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.471 -5.139 -2.277 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.002 -5.339 -3.982 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.631 -7.759 -3.727 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.624 -7.470 -4.955 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.655 -8.962 -3.986 1.00 15.27 H new ATOM 256 N GLU A 16 5.036 -8.749 -4.762 1.00 11.04 N ATOM 257 CA GLU A 16 6.335 -8.378 -5.202 1.00 11.50 C ATOM 258 C GLU A 16 6.340 -7.008 -5.927 1.00 10.13 C ATOM 259 O GLU A 16 5.542 -6.608 -6.770 1.00 9.83 O ATOM 260 CB GLU A 16 6.928 -9.407 -6.148 1.00 17.22 C ATOM 261 CG GLU A 16 8.425 -9.229 -6.342 1.00 23.33 C ATOM 262 CD GLU A 16 9.110 -10.358 -7.159 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.171 -11.500 -6.657 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.686 -10.078 -8.248 1.00 28.86 O ATOM 0 H GLU A 16 4.392 -9.006 -5.510 1.00 11.04 H new ATOM 0 HA GLU A 16 6.938 -8.314 -4.296 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.732 -10.407 -5.760 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.429 -9.336 -7.115 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.602 -8.277 -6.843 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.900 -9.168 -5.363 1.00 23.33 H new ATOM 271 N VAL A 17 7.223 -6.180 -5.537 1.00 8.99 N ATOM 272 CA VAL A 17 7.391 -4.758 -5.963 1.00 8.85 C ATOM 273 C VAL A 17 8.881 -4.464 -6.087 1.00 8.04 C ATOM 274 O VAL A 17 9.753 -5.341 -6.007 1.00 8.99 O ATOM 275 CB VAL A 17 6.672 -3.776 -4.955 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.205 -4.131 -4.748 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.365 -3.884 -3.577 1.00 10.54 C ATOM 0 H VAL A 17 7.930 -6.453 -4.854 1.00 8.99 H new ATOM 0 HA VAL A 17 6.918 -4.600 -6.932 1.00 8.85 H new ATOM 0 HB VAL A 17 6.737 -2.773 -5.377 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.756 -3.427 -4.047 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.680 -4.079 -5.702 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.128 -5.141 -4.347 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.878 -3.211 -2.871 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.291 -4.908 -3.212 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.415 -3.609 -3.675 1.00 10.54 H new ATOM 287 N GLU A 18 9.226 -3.220 -6.358 1.00 7.29 N ATOM 288 CA GLU A 18 10.533 -2.651 -6.598 1.00 7.08 C ATOM 289 C GLU A 18 10.592 -1.528 -5.588 1.00 6.45 C ATOM 290 O GLU A 18 9.515 -0.898 -5.419 1.00 5.28 O ATOM 291 CB GLU A 18 10.772 -2.095 -8.011 1.00 10.28 C ATOM 292 CG GLU A 18 10.751 -3.172 -9.150 1.00 12.65 C ATOM 293 CD GLU A 18 11.228 -2.732 -10.552 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.492 -2.666 -10.728 1.00 14.33 O ATOM 295 OE2 GLU A 18 10.440 -2.530 -11.530 1.00 18.17 O ATOM 0 H GLU A 18 8.507 -2.500 -6.422 1.00 7.29 H new ATOM 0 HA GLU A 18 11.300 -3.420 -6.506 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.011 -1.344 -8.225 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.736 -1.586 -8.028 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.369 -4.011 -8.832 1.00 12.65 H new ATOM 0 HG3 GLU A 18 9.731 -3.545 -9.243 1.00 12.65 H new ATOM 302 N PRO A 19 11.691 -1.151 -5.028 1.00 7.24 N ATOM 303 CA PRO A 19 11.818 0.028 -4.147 1.00 7.07 C ATOM 304 C PRO A 19 11.563 1.370 -4.877 1.00 6.65 C ATOM 305 O PRO A 19 11.447 2.362 -4.145 1.00 6.37 O ATOM 306 CB PRO A 19 13.250 -0.142 -3.627 1.00 7.61 C ATOM 307 CG PRO A 19 14.010 -0.789 -4.747 1.00 8.16 C ATOM 308 CD PRO A 19 13.023 -1.687 -5.366 1.00 7.49 C ATOM 0 HA PRO A 19 11.073 0.074 -3.353 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.687 0.820 -3.361 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.271 -0.761 -2.730 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.381 -0.051 -5.458 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.876 -1.339 -4.378 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.161 -1.728 -6.446 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.137 -2.704 -4.992 1.00 7.49 H new ATOM 316 N SER A 20 11.548 1.474 -6.221 1.00 6.80 N ATOM 317 CA SER A 20 11.279 2.710 -6.938 1.00 6.28 C ATOM 318 C SER A 20 9.870 2.749 -7.411 1.00 8.45 C ATOM 319 O SER A 20 9.459 3.682 -8.100 1.00 7.26 O ATOM 320 CB SER A 20 12.203 2.831 -8.132 1.00 8.57 C ATOM 321 OG SER A 20 13.580 2.965 -7.844 1.00 11.13 O ATOM 0 H SER A 20 11.727 0.681 -6.837 1.00 6.80 H new ATOM 0 HA SER A 20 11.449 3.541 -6.253 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.068 1.950 -8.760 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.891 3.693 -8.721 1.00 8.57 H new ATOM 0 HG SER A 20 14.084 3.033 -8.682 1.00 11.13 H new ATOM 327 N ASP A 21 9.052 1.818 -6.974 1.00 7.50 N ATOM 328 CA ASP A 21 7.645 1.883 -7.271 1.00 7.70 C ATOM 329 C ASP A 21 6.954 2.915 -6.485 1.00 7.08 C ATOM 330 O ASP A 21 7.186 3.123 -5.272 1.00 8.11 O ATOM 331 CB ASP A 21 6.943 0.552 -6.925 1.00 11.00 C ATOM 332 CG ASP A 21 7.389 -0.613 -7.804 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.919 -0.373 -8.925 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.974 -1.771 -7.548 1.00 14.36 O ATOM 0 H ASP A 21 9.337 1.013 -6.416 1.00 7.50 H new ATOM 0 HA ASP A 21 7.587 2.109 -8.336 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.139 0.306 -5.881 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.865 0.681 -7.025 1.00 11.00 H new ATOM 339 N THR A 22 5.943 3.581 -7.023 1.00 5.37 N ATOM 340 CA THR A 22 5.159 4.501 -6.250 1.00 6.01 C ATOM 341 C THR A 22 4.012 3.840 -5.546 1.00 8.01 C ATOM 342 O THR A 22 3.694 2.652 -5.684 1.00 8.11 O ATOM 343 CB THR A 22 4.710 5.673 -7.083 1.00 8.92 C ATOM 344 OG1 THR A 22 4.006 5.140 -8.253 1.00 10.22 O ATOM 345 CG2 THR A 22 5.873 6.545 -7.612 1.00 9.65 C ATOM 0 H THR A 22 5.654 3.493 -7.997 1.00 5.37 H new ATOM 0 HA THR A 22 5.811 4.885 -5.465 1.00 6.01 H new ATOM 0 HB THR A 22 4.090 6.302 -6.444 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.699 5.881 -8.816 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.471 7.368 -8.202 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.440 6.944 -6.771 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.529 5.937 -8.236 1.00 9.65 H new ATOM 353 N ILE A 23 3.309 4.630 -4.682 1.00 8.32 N ATOM 354 CA ILE A 23 2.238 4.129 -3.821 1.00 9.92 C ATOM 355 C ILE A 23 1.067 3.855 -4.700 1.00 10.01 C ATOM 356 O ILE A 23 0.373 2.837 -4.559 1.00 8.71 O ATOM 357 CB ILE A 23 1.880 5.101 -2.661 1.00 10.78 C ATOM 358 CG1 ILE A 23 2.937 5.337 -1.658 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.452 4.867 -2.086 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.617 4.104 -0.999 1.00 12.30 C ATOM 0 H ILE A 23 3.483 5.630 -4.576 1.00 8.32 H new ATOM 0 HA ILE A 23 2.568 3.220 -3.319 1.00 9.92 H new ATOM 0 HB ILE A 23 1.834 6.078 -3.142 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.717 5.933 -2.131 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.509 5.946 -0.861 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.263 5.576 -1.280 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.286 5.010 -2.875 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.378 3.851 -1.699 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.370 4.441 -0.286 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.866 3.509 -0.479 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.093 3.496 -1.769 1.00 12.30 H new ATOM 372 N GLU A 24 0.948 4.701 -5.827 1.00 9.54 N ATOM 373 CA GLU A 24 0.004 4.528 -6.920 1.00 11.81 C ATOM 374 C GLU A 24 0.109 3.222 -7.645 1.00 11.14 C ATOM 375 O GLU A 24 -0.883 2.534 -7.880 1.00 10.62 O ATOM 376 CB GLU A 24 0.235 5.674 -7.880 1.00 19.24 C ATOM 377 CG GLU A 24 -0.678 5.699 -9.136 1.00 27.76 C ATOM 378 CD GLU A 24 -0.351 6.902 -9.972 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.834 8.026 -9.701 1.00 36.51 O ATOM 380 OE2 GLU A 24 0.505 6.780 -10.916 1.00 34.80 O ATOM 0 H GLU A 24 1.542 5.521 -5.950 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.000 4.523 -6.497 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.100 6.610 -7.338 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.273 5.643 -8.210 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.537 4.789 -9.719 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.726 5.726 -8.836 1.00 27.76 H new ATOM 387 N ASN A 25 1.314 2.761 -7.901 1.00 9.43 N ATOM 388 CA ASN A 25 1.577 1.473 -8.494 1.00 10.96 C ATOM 389 C ASN A 25 1.453 0.270 -7.580 1.00 9.68 C ATOM 390 O ASN A 25 1.134 -0.818 -8.012 1.00 9.33 O ATOM 391 CB ASN A 25 2.967 1.532 -9.197 1.00 16.78 C ATOM 392 CG ASN A 25 2.881 1.999 -10.674 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.533 1.256 -11.594 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.316 3.245 -10.923 1.00 24.70 N ATOM 0 H ASN A 25 2.161 3.290 -7.695 1.00 9.43 H new ATOM 0 HA ASN A 25 0.776 1.298 -9.213 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.618 2.210 -8.645 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.429 0.545 -9.160 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.361 3.587 -11.883 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.601 3.849 -10.152 1.00 24.70 H new ATOM 401 N VAL A 26 1.716 0.446 -6.259 1.00 6.52 N ATOM 402 CA VAL A 26 1.481 -0.607 -5.249 1.00 5.53 C ATOM 403 C VAL A 26 -0.016 -0.759 -5.044 1.00 4.42 C ATOM 404 O VAL A 26 -0.503 -1.907 -5.126 1.00 3.40 O ATOM 405 CB VAL A 26 2.061 -0.288 -3.858 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.656 -1.356 -2.769 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.616 -0.175 -3.919 1.00 8.12 C ATOM 0 H VAL A 26 2.092 1.312 -5.873 1.00 6.52 H new ATOM 0 HA VAL A 26 1.972 -1.500 -5.635 1.00 5.53 H new ATOM 0 HB VAL A 26 1.632 0.669 -3.561 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.093 -1.080 -1.809 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.570 -1.389 -2.678 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.025 -2.337 -3.067 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.004 0.051 -2.926 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.036 -1.119 -4.267 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.896 0.622 -4.608 1.00 8.12 H new ATOM 417 N LYS A 27 -0.789 0.351 -4.873 1.00 2.64 N ATOM 418 CA LYS A 27 -2.262 0.313 -4.817 1.00 4.14 C ATOM 419 C LYS A 27 -2.879 -0.307 -5.999 1.00 5.58 C ATOM 420 O LYS A 27 -3.888 -0.979 -5.831 1.00 4.11 O ATOM 421 CB LYS A 27 -2.926 1.749 -4.731 1.00 3.97 C ATOM 422 CG LYS A 27 -2.661 2.552 -3.455 1.00 7.45 C ATOM 423 CD LYS A 27 -3.206 3.984 -3.571 1.00 9.02 C ATOM 424 CE LYS A 27 -3.467 4.762 -2.271 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.278 6.003 -2.479 1.00 15.47 N ATOM 0 H LYS A 27 -0.401 1.289 -4.771 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.445 -0.271 -3.915 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.579 2.336 -5.581 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.004 1.633 -4.843 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.126 2.052 -2.605 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.589 2.584 -3.259 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.503 4.562 -4.171 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.141 3.942 -4.129 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.983 4.113 -1.564 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.513 5.031 -1.818 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.506 6.427 -1.557 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.733 6.682 -3.048 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -5.159 5.763 -2.977 1.00 15.47 H new ATOM 439 N ALA A 28 -2.277 -0.169 -7.231 1.00 6.61 N ATOM 440 CA ALA A 28 -2.647 -0.866 -8.424 1.00 7.74 C ATOM 441 C ALA A 28 -2.507 -2.391 -8.400 1.00 9.17 C ATOM 442 O ALA A 28 -3.332 -3.088 -8.915 1.00 11.45 O ATOM 443 CB ALA A 28 -1.865 -0.301 -9.609 1.00 7.68 C ATOM 0 H ALA A 28 -1.494 0.467 -7.379 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.719 -0.693 -8.516 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.147 -0.832 -10.518 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.092 0.759 -9.723 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.797 -0.426 -9.433 1.00 7.68 H new ATOM 449 N LYS A 29 -1.408 -2.975 -7.807 1.00 8.96 N ATOM 450 CA LYS A 29 -1.220 -4.423 -7.606 1.00 7.90 C ATOM 451 C LYS A 29 -2.130 -5.030 -6.509 1.00 6.92 C ATOM 452 O LYS A 29 -2.681 -6.115 -6.463 1.00 6.87 O ATOM 453 CB LYS A 29 0.259 -4.691 -7.402 1.00 10.28 C ATOM 454 CG LYS A 29 0.580 -6.161 -7.639 1.00 14.94 C ATOM 455 CD LYS A 29 2.059 -6.499 -7.586 1.00 19.69 C ATOM 456 CE LYS A 29 2.926 -6.197 -8.864 1.00 22.63 C ATOM 457 NZ LYS A 29 3.623 -4.878 -8.875 1.00 24.98 N ATOM 0 H LYS A 29 -0.625 -2.424 -7.456 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.550 -4.948 -8.502 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.843 -4.072 -8.084 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.548 -4.410 -6.389 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.057 -6.759 -6.893 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.188 -6.453 -8.613 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.497 -5.956 -6.748 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.152 -7.562 -7.361 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.674 -6.983 -8.968 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.280 -6.254 -9.740 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.164 -4.779 -9.757 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 2.921 -4.114 -8.812 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.271 -4.821 -8.063 1.00 24.98 H new ATOM 471 N ILE A 30 -2.418 -4.226 -5.429 1.00 4.57 N ATOM 472 CA ILE A 30 -3.473 -4.369 -4.402 1.00 5.58 C ATOM 473 C ILE A 30 -4.809 -4.458 -5.157 1.00 7.26 C ATOM 474 O ILE A 30 -5.535 -5.406 -4.895 1.00 9.46 O ATOM 475 CB ILE A 30 -3.465 -3.320 -3.252 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.099 -3.386 -2.507 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.621 -3.585 -2.343 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.822 -2.163 -1.582 1.00 2.00 C ATOM 0 H ILE A 30 -1.858 -3.391 -5.254 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.281 -5.278 -3.832 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.576 -2.310 -3.645 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.067 -4.296 -1.908 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.299 -3.461 -3.243 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.623 -2.854 -1.534 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.551 -3.506 -2.905 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.533 -4.588 -1.926 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -0.852 -2.284 -1.099 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.820 -1.250 -2.177 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.600 -2.098 -0.821 1.00 2.00 H new ATOM 490 N GLN A 31 -5.039 -3.580 -6.175 1.00 7.06 N ATOM 491 CA GLN A 31 -6.272 -3.590 -6.914 1.00 8.67 C ATOM 492 C GLN A 31 -6.404 -4.839 -7.805 1.00 10.90 C ATOM 493 O GLN A 31 -7.485 -5.437 -7.844 1.00 9.63 O ATOM 494 CB GLN A 31 -6.464 -2.292 -7.681 1.00 9.12 C ATOM 495 CG GLN A 31 -7.746 -2.311 -8.490 1.00 10.76 C ATOM 496 CD GLN A 31 -7.828 -1.189 -9.501 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.775 -0.378 -9.449 1.00 14.48 O ATOM 498 NE2 GLN A 31 -6.921 -1.080 -10.510 1.00 14.76 N ATOM 0 H GLN A 31 -4.371 -2.871 -6.478 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.088 -3.653 -6.194 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.485 -1.455 -6.983 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.615 -2.132 -8.346 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.827 -3.266 -9.009 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.597 -2.244 -7.812 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.141 -1.735 -10.567 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.021 -0.344 -11.209 1.00 14.76 H new ATOM 507 N ASP A 32 -5.317 -5.256 -8.437 1.00 10.93 N ATOM 508 CA ASP A 32 -5.292 -6.539 -9.147 1.00 14.01 C ATOM 509 C ASP A 32 -5.694 -7.684 -8.201 1.00 14.04 C ATOM 510 O ASP A 32 -6.633 -8.428 -8.432 1.00 13.39 O ATOM 511 CB ASP A 32 -3.872 -6.770 -9.762 1.00 18.01 C ATOM 512 CG ASP A 32 -3.755 -8.000 -10.704 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.446 -8.014 -11.779 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.843 -8.824 -10.379 1.00 25.17 O ATOM 0 H ASP A 32 -4.442 -4.733 -8.476 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.017 -6.519 -9.960 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.584 -5.878 -10.317 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.155 -6.885 -8.949 1.00 18.01 H new ATOM 519 N LYS A 33 -5.049 -7.771 -7.062 1.00 14.22 N ATOM 520 CA LYS A 33 -5.403 -8.771 -6.072 1.00 14.00 C ATOM 521 C LYS A 33 -6.749 -8.754 -5.421 1.00 12.37 C ATOM 522 O LYS A 33 -7.417 -9.773 -5.309 1.00 12.17 O ATOM 523 CB LYS A 33 -4.251 -8.845 -5.033 1.00 18.62 C ATOM 524 CG LYS A 33 -4.350 -10.141 -4.245 1.00 24.00 C ATOM 525 CD LYS A 33 -3.204 -10.226 -3.214 1.00 27.61 C ATOM 526 CE LYS A 33 -1.970 -10.863 -3.852 1.00 27.64 C ATOM 527 NZ LYS A 33 -2.231 -12.207 -4.283 1.00 30.06 N ATOM 0 H LYS A 33 -4.275 -7.163 -6.794 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.522 -9.681 -6.660 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.288 -8.790 -5.540 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.304 -7.992 -4.356 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -5.312 -10.193 -3.735 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -4.302 -10.993 -4.924 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.960 -9.229 -2.847 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.522 -10.814 -2.353 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.650 -10.263 -4.704 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -1.149 -10.863 -3.135 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -1.505 -12.843 -3.895 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -3.169 -12.504 -3.945 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.208 -12.249 -5.322 1.00 30.06 H new ATOM 541 N GLU A 34 -7.250 -7.635 -4.969 1.00 10.11 N ATOM 542 CA GLU A 34 -8.482 -7.506 -4.185 1.00 10.07 C ATOM 543 C GLU A 34 -9.522 -6.663 -4.756 1.00 9.32 C ATOM 544 O GLU A 34 -10.559 -6.448 -4.145 1.00 11.61 O ATOM 545 CB GLU A 34 -8.155 -6.988 -2.742 1.00 14.77 C ATOM 546 CG GLU A 34 -7.455 -8.085 -1.911 1.00 18.75 C ATOM 547 CD GLU A 34 -8.460 -9.153 -1.379 1.00 22.28 C ATOM 548 OE1 GLU A 34 -9.376 -8.835 -0.581 1.00 25.19 O ATOM 549 OE2 GLU A 34 -8.312 -10.377 -1.693 1.00 21.95 O ATOM 0 H GLU A 34 -6.799 -6.736 -5.138 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.893 -8.516 -4.177 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.515 -6.108 -2.803 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.074 -6.680 -2.244 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.698 -8.575 -2.523 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.936 -7.626 -1.069 1.00 18.75 H new ATOM 556 N GLY A 35 -9.438 -6.193 -6.032 1.00 7.22 N ATOM 557 CA GLY A 35 -10.495 -5.478 -6.733 1.00 6.29 C ATOM 558 C GLY A 35 -10.755 -4.022 -6.298 1.00 6.93 C ATOM 559 O GLY A 35 -11.601 -3.353 -6.958 1.00 7.41 O ATOM 0 H GLY A 35 -8.600 -6.315 -6.601 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.257 -5.478 -7.797 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.422 -6.039 -6.614 1.00 6.29 H new ATOM 563 N ILE A 36 -10.019 -3.492 -5.297 1.00 5.86 N ATOM 564 CA ILE A 36 -10.438 -2.230 -4.697 1.00 6.07 C ATOM 565 C ILE A 36 -9.924 -1.007 -5.371 1.00 6.36 C ATOM 566 O ILE A 36 -8.747 -0.922 -5.595 1.00 6.18 O ATOM 567 CB ILE A 36 -9.841 -2.061 -3.278 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.322 -3.233 -2.370 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.251 -0.713 -2.637 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.255 -3.614 -1.356 1.00 9.49 C ATOM 0 H ILE A 36 -9.171 -3.904 -4.909 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.524 -2.300 -4.752 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.755 -2.072 -3.369 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.235 -2.943 -1.850 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.567 -4.098 -2.987 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.811 -0.634 -1.643 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.894 0.109 -3.258 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.337 -0.663 -2.559 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.618 -4.434 -0.736 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.351 -3.927 -1.879 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.030 -2.754 -0.725 1.00 9.49 H new ATOM 582 N PRO A 37 -10.701 0.002 -5.677 1.00 8.65 N ATOM 583 CA PRO A 37 -10.153 1.257 -6.199 1.00 9.18 C ATOM 584 C PRO A 37 -9.012 1.926 -5.411 1.00 9.85 C ATOM 585 O PRO A 37 -9.218 2.247 -4.224 1.00 8.51 O ATOM 586 CB PRO A 37 -11.393 2.201 -6.353 1.00 11.42 C ATOM 587 CG PRO A 37 -12.529 1.240 -6.680 1.00 9.27 C ATOM 588 CD PRO A 37 -12.123 0.082 -5.745 1.00 8.33 C ATOM 0 HA PRO A 37 -9.637 1.037 -7.134 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.590 2.759 -5.437 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.245 2.933 -7.147 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.511 1.650 -6.444 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.548 0.949 -7.730 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.537 0.242 -4.749 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.534 -0.858 -6.113 1.00 8.33 H new ATOM 596 N PRO A 38 -7.785 2.242 -5.952 1.00 8.71 N ATOM 597 CA PRO A 38 -6.785 3.140 -5.360 1.00 9.08 C ATOM 598 C PRO A 38 -7.245 4.367 -4.621 1.00 9.28 C ATOM 599 O PRO A 38 -6.525 4.755 -3.698 1.00 6.50 O ATOM 600 CB PRO A 38 -5.901 3.534 -6.580 1.00 10.31 C ATOM 601 CG PRO A 38 -5.969 2.307 -7.496 1.00 10.81 C ATOM 602 CD PRO A 38 -7.397 1.817 -7.348 1.00 12.00 C ATOM 0 HA PRO A 38 -6.295 2.605 -4.547 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.282 4.426 -7.078 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.876 3.751 -6.278 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.742 2.568 -8.530 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.252 1.544 -7.194 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.052 2.262 -8.097 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.463 0.736 -7.469 1.00 12.00 H new ATOM 610 N ASP A 39 -8.329 5.008 -5.027 1.00 11.20 N ATOM 611 CA ASP A 39 -8.953 6.128 -4.385 1.00 14.96 C ATOM 612 C ASP A 39 -9.515 5.764 -3.005 1.00 13.99 C ATOM 613 O ASP A 39 -9.509 6.575 -2.086 1.00 13.75 O ATOM 614 CB ASP A 39 -9.976 6.840 -5.271 1.00 24.16 C ATOM 615 CG ASP A 39 -9.394 7.467 -6.523 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.593 8.440 -6.453 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.797 7.004 -7.599 1.00 35.55 O ATOM 0 H ASP A 39 -8.822 4.731 -5.876 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.161 6.858 -4.217 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.746 6.125 -5.562 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.467 7.617 -4.685 1.00 24.16 H new ATOM 622 N GLN A 40 -9.920 4.530 -2.788 1.00 11.60 N ATOM 623 CA GLN A 40 -10.538 4.175 -1.470 1.00 10.76 C ATOM 624 C GLN A 40 -9.558 3.497 -0.467 1.00 8.01 C ATOM 625 O GLN A 40 -9.788 3.360 0.750 1.00 8.96 O ATOM 626 CB GLN A 40 -11.698 3.218 -1.753 1.00 11.14 C ATOM 627 CG GLN A 40 -12.462 2.784 -0.476 1.00 14.85 C ATOM 628 CD GLN A 40 -13.274 1.517 -0.701 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.294 0.820 -1.741 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.097 1.180 0.360 1.00 18.16 N ATOM 0 H GLN A 40 -9.850 3.765 -3.458 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.857 5.103 -0.996 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.396 3.697 -2.440 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.313 2.331 -2.257 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -11.751 2.620 0.334 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.126 3.589 -0.159 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.088 1.742 1.211 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.713 0.370 0.290 1.00 18.16 H new ATOM 639 N GLN A 41 -8.434 3.056 -1.108 1.00 6.52 N ATOM 640 CA GLN A 41 -7.278 2.465 -0.348 1.00 3.87 C ATOM 641 C GLN A 41 -6.499 3.543 0.349 1.00 4.79 C ATOM 642 O GLN A 41 -6.020 4.458 -0.289 1.00 6.34 O ATOM 643 CB GLN A 41 -6.392 1.740 -1.323 1.00 4.20 C ATOM 644 CG GLN A 41 -6.996 0.599 -2.220 1.00 3.20 C ATOM 645 CD GLN A 41 -5.896 -0.109 -3.115 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.736 -0.081 -2.693 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.258 -0.720 -4.296 1.00 7.13 N ATOM 0 H GLN A 41 -8.301 3.094 -2.119 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.651 1.775 0.409 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.962 2.487 -1.991 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.568 1.307 -0.756 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.477 -0.144 -1.584 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.770 1.017 -2.863 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.233 -0.712 -4.596 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.551 -1.180 -4.870 1.00 7.13 H new ATOM 656 N ARG A 42 -6.299 3.444 1.661 1.00 5.73 N ATOM 657 CA ARG A 42 -5.463 4.261 2.475 1.00 6.97 C ATOM 658 C ARG A 42 -4.371 3.336 2.960 1.00 7.15 C ATOM 659 O ARG A 42 -4.638 2.442 3.718 1.00 7.33 O ATOM 660 CB ARG A 42 -6.278 4.766 3.657 1.00 13.23 C ATOM 661 CG ARG A 42 -7.403 5.729 3.128 1.00 21.27 C ATOM 662 CD ARG A 42 -8.079 6.368 4.293 1.00 26.14 C ATOM 663 NE ARG A 42 -9.038 7.467 3.789 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.944 8.022 4.639 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.890 7.697 5.928 1.00 35.30 N ATOM 666 NH2 ARG A 42 -10.779 8.967 4.206 1.00 36.39 N ATOM 0 H ARG A 42 -6.767 2.722 2.209 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.059 5.123 1.944 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.722 3.928 4.194 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.634 5.291 4.362 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.972 6.491 2.478 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -8.126 5.172 2.532 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.632 5.620 4.862 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -7.338 6.798 4.967 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.993 7.777 2.818 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.180 7.044 6.260 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.559 8.100 6.584 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -10.740 9.276 3.235 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -11.457 9.381 4.846 1.00 36.39 H new ATOM 680 N LEU A 43 -3.171 3.519 2.517 1.00 4.65 N ATOM 681 CA LEU A 43 -2.083 2.678 2.878 1.00 3.51 C ATOM 682 C LEU A 43 -1.196 3.302 3.960 1.00 5.56 C ATOM 683 O LEU A 43 -0.722 4.440 3.760 1.00 4.19 O ATOM 684 CB LEU A 43 -1.126 2.325 1.686 1.00 3.74 C ATOM 685 CG LEU A 43 -1.746 1.864 0.298 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.741 1.054 -0.539 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.902 0.951 0.567 1.00 6.41 C ATOM 0 H LEU A 43 -2.916 4.274 1.880 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.577 1.775 3.237 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.507 3.201 1.493 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.459 1.533 2.026 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.035 2.764 -0.244 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.206 0.759 -1.480 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.138 1.665 -0.744 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -0.442 0.163 0.013 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -3.337 0.627 -0.378 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -2.556 0.081 1.125 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.655 1.480 1.151 1.00 6.41 H new ATOM 699 N ILE A 44 -1.003 2.642 5.119 1.00 4.58 N ATOM 700 CA ILE A 44 -0.273 3.094 6.241 1.00 5.55 C ATOM 701 C ILE A 44 0.981 2.263 6.606 1.00 5.46 C ATOM 702 O ILE A 44 0.935 1.077 6.425 1.00 6.04 O ATOM 703 CB ILE A 44 -1.230 3.211 7.499 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.612 3.859 7.118 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.549 3.914 8.694 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.704 4.078 8.157 1.00 13.90 C ATOM 0 H ILE A 44 -1.397 1.713 5.271 1.00 4.58 H new ATOM 0 HA ILE A 44 0.114 4.070 5.948 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.443 2.196 7.835 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.394 4.832 6.678 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.044 3.242 6.330 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.247 3.969 9.530 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.333 3.349 8.994 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.252 4.922 8.403 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.571 4.536 7.682 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.991 3.120 8.590 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.332 4.735 8.943 1.00 13.90 H new ATOM 718 N PHE A 45 2.024 2.979 6.961 1.00 6.75 N ATOM 719 CA PHE A 45 3.248 2.457 7.493 1.00 4.70 C ATOM 720 C PHE A 45 3.899 3.432 8.441 1.00 6.34 C ATOM 721 O PHE A 45 3.956 4.640 8.204 1.00 5.45 O ATOM 722 CB PHE A 45 4.149 1.973 6.359 1.00 5.51 C ATOM 723 CG PHE A 45 5.596 1.632 6.719 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.817 0.435 7.344 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.669 2.459 6.468 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.095 0.067 7.786 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.988 2.119 6.901 1.00 6.64 C ATOM 728 CZ PHE A 45 8.123 0.956 7.629 1.00 6.84 C ATOM 0 H PHE A 45 2.034 3.996 6.879 1.00 6.75 H new ATOM 0 HA PHE A 45 3.036 1.581 8.106 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.692 1.087 5.918 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.164 2.742 5.587 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.989 -0.241 7.500 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.510 3.384 5.933 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.265 -0.898 8.241 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.838 2.743 6.669 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.074 0.739 8.092 1.00 6.84 H new ATOM 738 N ALA A 46 4.418 2.956 9.580 1.00 6.53 N ATOM 739 CA ALA A 46 5.286 3.735 10.431 1.00 7.15 C ATOM 740 C ALA A 46 4.570 4.956 11.094 1.00 9.00 C ATOM 741 O ALA A 46 5.129 6.042 11.351 1.00 11.15 O ATOM 742 CB ALA A 46 6.720 3.933 9.804 1.00 8.99 C ATOM 0 H ALA A 46 4.238 2.014 9.927 1.00 6.53 H new ATOM 0 HA ALA A 46 5.524 3.154 11.322 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.335 4.525 10.482 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.186 2.960 9.647 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.631 4.451 8.849 1.00 8.99 H new ATOM 748 N GLY A 47 3.250 4.722 11.337 1.00 9.35 N ATOM 749 CA GLY A 47 2.353 5.764 11.879 1.00 11.68 C ATOM 750 C GLY A 47 1.853 6.706 10.846 1.00 11.14 C ATOM 751 O GLY A 47 1.167 7.673 11.134 1.00 13.93 O ATOM 0 H GLY A 47 2.793 3.826 11.165 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.503 5.285 12.365 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.884 6.327 12.647 1.00 11.68 H new ATOM 755 N LYS A 48 2.220 6.491 9.595 1.00 10.47 N ATOM 756 CA LYS A 48 2.003 7.460 8.557 1.00 8.82 C ATOM 757 C LYS A 48 1.195 6.843 7.398 1.00 7.68 C ATOM 758 O LYS A 48 1.349 5.704 6.968 1.00 6.47 O ATOM 759 CB LYS A 48 3.339 7.847 7.879 1.00 9.74 C ATOM 760 CG LYS A 48 4.440 8.289 8.870 1.00 14.14 C ATOM 761 CD LYS A 48 5.807 8.398 8.257 1.00 16.32 C ATOM 762 CE LYS A 48 6.984 8.463 9.226 1.00 20.04 C ATOM 763 NZ LYS A 48 6.749 9.585 10.042 1.00 23.92 N ATOM 0 H LYS A 48 2.677 5.636 9.279 1.00 10.47 H new ATOM 0 HA LYS A 48 1.502 8.302 9.034 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.703 6.996 7.303 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.155 8.655 7.171 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.166 9.255 9.295 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.479 7.577 9.695 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.955 7.543 7.598 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.830 9.290 7.631 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.050 7.553 9.822 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.927 8.561 8.689 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.622 9.835 10.548 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 6.449 10.387 9.452 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.001 9.363 10.730 1.00 23.92 H new ATOM 777 N GLN A 49 0.274 7.651 6.811 1.00 8.89 N ATOM 778 CA GLN A 49 -0.376 7.347 5.545 1.00 7.18 C ATOM 779 C GLN A 49 0.424 7.788 4.390 1.00 8.23 C ATOM 780 O GLN A 49 0.969 8.912 4.360 1.00 9.70 O ATOM 781 CB GLN A 49 -1.807 7.951 5.461 1.00 11.67 C ATOM 782 CG GLN A 49 -2.709 7.508 4.225 1.00 15.82 C ATOM 783 CD GLN A 49 -4.122 8.139 4.336 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.826 8.012 5.382 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.565 8.873 3.292 1.00 20.67 N ATOM 0 H GLN A 49 -0.029 8.535 7.220 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.461 6.261 5.507 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.338 7.693 6.377 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.715 9.037 5.441 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.237 7.818 3.292 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.790 6.421 4.196 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.990 8.968 2.455 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.475 9.332 3.341 1.00 20.67 H new ATOM 794 N LEU A 50 0.608 6.907 3.437 1.00 6.51 N ATOM 795 CA LEU A 50 1.498 6.922 2.298 1.00 7.41 C ATOM 796 C LEU A 50 0.694 7.502 1.125 1.00 8.27 C ATOM 797 O LEU A 50 -0.506 7.244 0.982 1.00 8.34 O ATOM 798 CB LEU A 50 2.127 5.569 2.041 1.00 7.13 C ATOM 799 CG LEU A 50 2.712 4.838 3.248 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.541 3.601 2.736 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.499 5.606 4.331 1.00 9.11 C ATOM 0 H LEU A 50 0.062 6.045 3.443 1.00 6.51 H new ATOM 0 HA LEU A 50 2.368 7.555 2.473 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.373 4.925 1.587 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.921 5.698 1.305 1.00 7.13 H new ATOM 0 HG LEU A 50 1.818 4.577 3.814 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.965 3.069 3.588 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.887 2.930 2.179 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.346 3.946 2.087 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.831 4.910 5.102 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.366 6.086 3.878 1.00 9.11 H new ATOM 0 HD23 LEU A 50 2.857 6.364 4.779 1.00 9.11 H new ATOM 813 N GLU A 51 1.409 8.219 0.221 1.00 9.43 N ATOM 814 CA GLU A 51 0.715 9.026 -0.846 1.00 11.90 C ATOM 815 C GLU A 51 1.136 8.644 -2.211 1.00 11.49 C ATOM 816 O GLU A 51 2.289 8.359 -2.458 1.00 9.88 O ATOM 817 CB GLU A 51 1.054 10.512 -0.410 1.00 16.56 C ATOM 818 CG GLU A 51 0.746 11.641 -1.425 1.00 26.06 C ATOM 819 CD GLU A 51 1.286 12.963 -1.026 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.657 13.518 -0.067 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.330 13.442 -1.539 1.00 32.13 O ATOM 0 H GLU A 51 2.428 8.264 0.197 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.361 8.865 -0.913 1.00 11.90 H new ATOM 0 HB2 GLU A 51 0.507 10.726 0.508 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.116 10.558 -0.167 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.159 11.367 -2.396 1.00 26.06 H new ATOM 0 HG3 GLU A 51 -0.334 11.722 -1.549 1.00 26.06 H new ATOM 828 N ASP A 52 0.216 8.730 -3.157 1.00 12.71 N ATOM 829 CA ASP A 52 0.247 8.059 -4.420 1.00 16.56 C ATOM 830 C ASP A 52 1.448 8.285 -5.294 1.00 15.83 C ATOM 831 O ASP A 52 2.028 7.316 -5.794 1.00 17.21 O ATOM 832 CB ASP A 52 -1.040 8.498 -5.215 1.00 21.05 C ATOM 833 CG ASP A 52 -2.252 8.228 -4.382 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.444 7.031 -4.053 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.005 9.175 -3.959 1.00 25.82 O ATOM 0 H ASP A 52 -0.617 9.308 -3.045 1.00 12.71 H new ATOM 0 HA ASP A 52 0.294 6.997 -4.179 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.984 9.558 -5.463 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.103 7.953 -6.157 1.00 21.05 H new ATOM 840 N GLY A 53 1.864 9.575 -5.526 1.00 15.00 N ATOM 841 CA GLY A 53 2.948 9.846 -6.487 1.00 11.77 C ATOM 842 C GLY A 53 4.313 9.813 -5.864 1.00 11.10 C ATOM 843 O GLY A 53 5.366 10.194 -6.436 1.00 11.25 O ATOM 0 H GLY A 53 1.473 10.401 -5.073 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.905 9.111 -7.290 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.786 10.824 -6.941 1.00 11.77 H new ATOM 847 N ARG A 54 4.382 9.343 -4.565 1.00 8.53 N ATOM 848 CA ARG A 54 5.684 9.147 -3.904 1.00 9.05 C ATOM 849 C ARG A 54 6.183 7.712 -3.938 1.00 8.96 C ATOM 850 O ARG A 54 5.399 6.771 -3.819 1.00 11.60 O ATOM 851 CB ARG A 54 5.578 9.533 -2.448 1.00 7.97 C ATOM 852 CG ARG A 54 4.801 10.761 -2.080 1.00 9.62 C ATOM 853 CD ARG A 54 5.185 11.312 -0.703 1.00 12.20 C ATOM 854 NE ARG A 54 4.372 12.494 -0.381 1.00 18.23 N ATOM 855 CZ ARG A 54 4.431 13.240 0.720 1.00 22.08 C ATOM 856 NH1 ARG A 54 5.260 12.901 1.727 1.00 25.50 N ATOM 857 NH2 ARG A 54 3.767 14.367 0.881 1.00 23.38 N ATOM 0 H ARG A 54 3.571 9.107 -3.993 1.00 8.53 H new ATOM 0 HA ARG A 54 6.386 9.771 -4.457 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.136 8.691 -1.915 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.591 9.657 -2.065 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.967 11.531 -2.834 1.00 9.62 H new ATOM 0 HG3 ARG A 54 3.736 10.529 -2.090 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.039 10.544 0.057 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.243 11.576 -0.691 1.00 12.20 H new ATOM 0 HE ARG A 54 3.685 12.774 -1.081 1.00 18.23 H new ATOM 0 HH11 ARG A 54 5.846 12.070 1.647 1.00 25.50 H new ATOM 0 HH12 ARG A 54 5.302 13.476 2.569 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.164 14.714 0.136 1.00 23.38 H new ATOM 0 HH22 ARG A 54 3.856 14.892 1.751 1.00 23.38 H new ATOM 871 N THR A 55 7.491 7.501 -4.005 1.00 9.05 N ATOM 872 CA THR A 55 8.157 6.193 -4.149 1.00 9.03 C ATOM 873 C THR A 55 8.321 5.421 -2.832 1.00 8.15 C ATOM 874 O THR A 55 8.399 6.044 -1.733 1.00 5.91 O ATOM 875 CB THR A 55 9.625 6.228 -4.671 1.00 11.15 C ATOM 876 OG1 THR A 55 10.349 7.116 -3.811 1.00 11.95 O ATOM 877 CG2 THR A 55 9.559 6.874 -6.065 1.00 11.71 C ATOM 0 H THR A 55 8.159 8.271 -3.959 1.00 9.05 H new ATOM 0 HA THR A 55 7.473 5.728 -4.859 1.00 9.03 H new ATOM 0 HB THR A 55 10.090 5.242 -4.699 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.251 6.763 -3.661 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.562 6.929 -6.489 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.923 6.273 -6.715 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.145 7.879 -5.981 1.00 11.71 H new ATOM 885 N LEU A 56 8.375 4.077 -2.799 1.00 6.91 N ATOM 886 CA LEU A 56 8.719 3.340 -1.620 1.00 8.29 C ATOM 887 C LEU A 56 10.109 3.742 -1.007 1.00 8.05 C ATOM 888 O LEU A 56 10.187 3.853 0.212 1.00 10.17 O ATOM 889 CB LEU A 56 8.784 1.757 -2.029 1.00 6.60 C ATOM 890 CG LEU A 56 7.414 1.164 -2.398 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.597 -0.280 -2.761 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.347 1.285 -1.276 1.00 8.64 C ATOM 0 H LEU A 56 8.176 3.489 -3.608 1.00 6.91 H new ATOM 0 HA LEU A 56 7.963 3.558 -0.865 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.463 1.635 -2.873 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.204 1.192 -1.197 1.00 6.60 H new ATOM 0 HG LEU A 56 7.034 1.746 -3.238 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.633 -0.714 -3.025 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.275 -0.358 -3.611 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.016 -0.818 -1.911 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.410 0.843 -1.616 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.694 0.760 -0.386 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.187 2.337 -1.038 1.00 8.64 H new ATOM 904 N SER A 57 11.055 4.148 -1.884 1.00 8.92 N ATOM 905 CA SER A 57 12.352 4.656 -1.495 1.00 9.00 C ATOM 906 C SER A 57 12.325 5.985 -0.685 1.00 9.44 C ATOM 907 O SER A 57 13.136 6.193 0.205 1.00 10.91 O ATOM 908 CB SER A 57 13.367 4.770 -2.619 1.00 10.32 C ATOM 909 OG SER A 57 13.134 5.806 -3.562 1.00 13.59 O ATOM 0 H SER A 57 10.918 4.124 -2.894 1.00 8.92 H new ATOM 0 HA SER A 57 12.689 3.865 -0.825 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.353 4.921 -2.179 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.398 3.820 -3.152 1.00 10.32 H new ATOM 0 HG SER A 57 13.841 5.796 -4.241 1.00 13.59 H new ATOM 915 N ASP A 58 11.287 6.883 -0.912 1.00 9.11 N ATOM 916 CA ASP A 58 11.107 8.107 -0.160 1.00 7.91 C ATOM 917 C ASP A 58 10.732 7.825 1.320 1.00 9.12 C ATOM 918 O ASP A 58 11.014 8.627 2.232 1.00 8.61 O ATOM 919 CB ASP A 58 9.961 8.887 -0.702 1.00 8.41 C ATOM 920 CG ASP A 58 10.103 10.344 -0.427 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.192 10.899 -0.724 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.146 11.030 0.012 1.00 11.70 O ATOM 0 H ASP A 58 10.576 6.739 -1.629 1.00 9.11 H new ATOM 0 HA ASP A 58 12.053 8.643 -0.234 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.888 8.726 -1.778 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.033 8.523 -0.261 1.00 8.41 H new ATOM 927 N TYR A 59 10.110 6.727 1.586 1.00 7.97 N ATOM 928 CA TYR A 59 9.769 6.288 2.969 1.00 8.45 C ATOM 929 C TYR A 59 10.819 5.352 3.576 1.00 10.98 C ATOM 930 O TYR A 59 10.634 4.856 4.674 1.00 12.95 O ATOM 931 CB TYR A 59 8.479 5.462 2.775 1.00 7.94 C ATOM 932 CG TYR A 59 7.264 6.340 2.500 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.907 7.346 3.489 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.646 6.363 1.266 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.792 8.155 3.219 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.584 7.199 0.989 1.00 6.52 C ATOM 937 CZ TYR A 59 5.150 8.136 1.984 1.00 6.76 C ATOM 938 OH TYR A 59 4.161 9.080 1.628 1.00 7.63 O ATOM 0 H TYR A 59 9.804 6.074 0.865 1.00 7.97 H new ATOM 0 HA TYR A 59 9.689 7.149 3.633 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.617 4.767 1.947 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.297 4.863 3.667 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.479 7.466 4.397 1.00 4.59 H new ATOM 0 HD2 TYR A 59 7.006 5.704 0.490 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.421 8.812 3.992 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.085 7.148 0.033 1.00 6.52 H new ATOM 0 HH TYR A 59 4.339 9.928 2.086 1.00 7.63 H new ATOM 948 N ASN A 60 11.973 5.069 2.906 1.00 12.38 N ATOM 949 CA ASN A 60 13.026 4.114 3.308 1.00 13.94 C ATOM 950 C ASN A 60 12.547 2.734 3.629 1.00 14.16 C ATOM 951 O ASN A 60 13.051 2.116 4.552 1.00 14.26 O ATOM 952 CB ASN A 60 13.888 4.653 4.396 1.00 19.23 C ATOM 953 CG ASN A 60 14.331 6.083 4.215 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.166 6.972 5.076 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.095 6.346 3.153 1.00 24.09 N ATOM 0 H ASN A 60 12.197 5.531 2.025 1.00 12.38 H new ATOM 0 HA ASN A 60 13.632 4.000 2.409 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.347 4.573 5.339 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.773 4.023 4.482 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.533 7.262 3.054 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.241 5.631 2.440 1.00 24.09 H new ATOM 962 N ILE A 61 11.555 2.224 2.870 1.00 11.08 N ATOM 963 CA ILE A 61 11.027 0.923 2.951 1.00 11.78 C ATOM 964 C ILE A 61 12.106 -0.166 2.613 1.00 13.74 C ATOM 965 O ILE A 61 13.148 0.086 2.010 1.00 14.60 O ATOM 966 CB ILE A 61 9.695 0.763 2.238 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.581 1.475 3.036 1.00 11.56 C ATOM 968 CG2 ILE A 61 9.324 -0.656 1.804 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.422 1.933 2.099 1.00 11.42 C ATOM 0 H ILE A 61 11.098 2.780 2.147 1.00 11.08 H new ATOM 0 HA ILE A 61 10.766 0.746 3.994 1.00 11.78 H new ATOM 0 HB ILE A 61 9.815 1.259 1.275 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.191 0.803 3.800 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.997 2.339 3.554 1.00 11.56 H new ATOM 0 HG21 ILE A 61 8.354 -0.643 1.307 1.00 13.29 H new ATOM 0 HG22 ILE A 61 10.079 -1.035 1.116 1.00 13.29 H new ATOM 0 HG23 ILE A 61 9.274 -1.303 2.680 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.652 2.431 2.689 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.810 2.624 1.351 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.992 1.064 1.601 1.00 11.42 H new ATOM 981 N GLN A 62 11.874 -1.391 3.184 1.00 13.97 N ATOM 982 CA GLN A 62 12.690 -2.575 3.127 1.00 15.52 C ATOM 983 C GLN A 62 11.785 -3.801 2.775 1.00 13.94 C ATOM 984 O GLN A 62 10.557 -3.707 2.919 1.00 12.15 O ATOM 985 CB GLN A 62 13.355 -2.820 4.529 1.00 19.53 C ATOM 986 CG GLN A 62 14.419 -3.978 4.560 1.00 26.38 C ATOM 987 CD GLN A 62 15.216 -4.006 5.868 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.185 -4.792 5.995 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.772 -3.255 6.928 1.00 32.71 N ATOM 0 H GLN A 62 11.031 -1.552 3.735 1.00 13.97 H new ATOM 0 HA GLN A 62 13.464 -2.450 2.370 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.834 -1.897 4.855 1.00 19.53 H new ATOM 0 HB3 GLN A 62 12.572 -3.046 5.253 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.914 -4.935 4.425 1.00 26.38 H new ATOM 0 HG3 GLN A 62 15.106 -3.859 3.722 1.00 26.38 H new ATOM 0 HE21 GLN A 62 13.983 -2.620 6.808 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.232 -3.332 7.835 1.00 32.71 H new ATOM 998 N LYS A 63 12.350 -4.868 2.243 1.00 11.73 N ATOM 999 CA LYS A 63 11.706 -6.097 1.934 1.00 11.97 C ATOM 1000 C LYS A 63 11.033 -6.742 3.222 1.00 10.41 C ATOM 1001 O LYS A 63 11.541 -6.526 4.333 1.00 9.59 O ATOM 1002 CB LYS A 63 12.695 -7.139 1.287 1.00 13.73 C ATOM 1003 CG LYS A 63 13.730 -7.750 2.266 1.00 16.98 C ATOM 1004 CD LYS A 63 14.328 -9.006 1.700 1.00 20.19 C ATOM 1005 CE LYS A 63 15.216 -9.735 2.703 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.310 -8.945 3.188 1.00 25.97 N ATOM 0 H LYS A 63 13.342 -4.883 2.005 1.00 11.73 H new ATOM 0 HA LYS A 63 10.930 -5.858 1.206 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.111 -7.948 0.847 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.231 -6.652 0.472 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.519 -7.025 2.466 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.249 -7.969 3.219 1.00 16.98 H new ATOM 0 HD2 LYS A 63 13.528 -9.672 1.377 1.00 20.19 H new ATOM 0 HD3 LYS A 63 14.913 -8.759 0.814 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.607 -10.054 3.549 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.611 -10.638 2.236 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.917 -9.530 3.798 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.866 -8.591 2.384 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.942 -8.141 3.735 1.00 25.97 H new ATOM 1020 N GLU A 64 9.931 -7.530 3.147 1.00 10.04 N ATOM 1021 CA GLU A 64 9.326 -8.258 4.280 1.00 10.94 C ATOM 1022 C GLU A 64 8.840 -7.288 5.387 1.00 9.74 C ATOM 1023 O GLU A 64 8.602 -7.653 6.540 1.00 9.42 O ATOM 1024 CB GLU A 64 10.298 -9.357 4.924 1.00 18.31 C ATOM 1025 CG GLU A 64 10.689 -10.473 4.035 1.00 24.16 C ATOM 1026 CD GLU A 64 11.550 -11.497 4.736 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.801 -11.340 4.942 1.00 32.61 O ATOM 1028 OE2 GLU A 64 11.034 -12.574 5.103 1.00 31.72 O ATOM 0 H GLU A 64 9.429 -7.677 2.271 1.00 10.04 H new ATOM 0 HA GLU A 64 8.471 -8.785 3.856 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.204 -8.857 5.267 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.810 -9.774 5.805 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.792 -10.959 3.651 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.229 -10.076 3.175 1.00 24.16 H new ATOM 1035 N SER A 65 8.673 -6.044 4.967 1.00 6.85 N ATOM 1036 CA SER A 65 7.954 -4.991 5.625 1.00 6.90 C ATOM 1037 C SER A 65 6.487 -5.057 5.410 1.00 4.72 C ATOM 1038 O SER A 65 5.969 -5.330 4.333 1.00 3.91 O ATOM 1039 CB SER A 65 8.483 -3.542 5.205 1.00 7.28 C ATOM 1040 OG SER A 65 7.972 -2.543 6.082 1.00 10.56 O ATOM 0 H SER A 65 9.074 -5.730 4.083 1.00 6.85 H new ATOM 0 HA SER A 65 8.146 -5.148 6.686 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.573 -3.528 5.226 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.181 -3.322 4.181 1.00 7.28 H new ATOM 0 HG SER A 65 8.328 -1.667 5.823 1.00 10.56 H new ATOM 1046 N THR A 66 5.798 -4.765 6.526 1.00 4.48 N ATOM 1047 CA THR A 66 4.412 -5.065 6.496 1.00 3.80 C ATOM 1048 C THR A 66 3.723 -3.687 6.400 1.00 4.60 C ATOM 1049 O THR A 66 3.752 -2.903 7.325 1.00 5.33 O ATOM 1050 CB THR A 66 3.754 -5.875 7.613 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.371 -7.114 7.877 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.267 -6.108 7.269 1.00 3.40 C ATOM 0 H THR A 66 6.167 -4.354 7.384 1.00 4.48 H new ATOM 0 HA THR A 66 4.291 -5.758 5.664 1.00 3.80 H new ATOM 0 HB THR A 66 3.866 -5.282 8.521 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.894 -7.569 8.602 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.796 -6.686 8.064 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.762 -5.147 7.170 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.192 -6.656 6.330 1.00 3.40 H new ATOM 1060 N LEU A 67 3.131 -3.332 5.225 1.00 4.17 N ATOM 1061 CA LEU A 67 2.366 -2.131 5.118 1.00 3.85 C ATOM 1062 C LEU A 67 0.930 -2.398 5.499 1.00 3.80 C ATOM 1063 O LEU A 67 0.480 -3.490 5.412 1.00 5.54 O ATOM 1064 CB LEU A 67 2.373 -1.515 3.744 1.00 7.18 C ATOM 1065 CG LEU A 67 3.677 -1.250 2.968 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.348 -0.627 1.562 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.754 -0.399 3.612 1.00 11.66 C ATOM 0 H LEU A 67 3.188 -3.878 4.366 1.00 4.17 H new ATOM 0 HA LEU A 67 2.843 -1.424 5.797 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.757 -2.154 3.111 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.859 -0.558 3.828 1.00 7.18 H new ATOM 0 HG LEU A 67 4.115 -2.247 2.924 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.275 -0.443 1.020 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.727 -1.319 0.994 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.813 0.313 1.697 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.603 -0.312 2.934 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.355 0.593 3.824 1.00 11.66 H new ATOM 0 HD23 LEU A 67 5.079 -0.866 4.542 1.00 11.66 H new ATOM 1079 N HIS A 68 0.133 -1.457 5.987 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.227 -1.698 6.431 1.00 4.17 C ATOM 1081 C HIS A 68 -2.164 -1.123 5.423 1.00 5.32 C ATOM 1082 O HIS A 68 -1.907 -0.052 4.838 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.420 -1.012 7.791 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.405 -1.442 8.825 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.798 -0.842 8.970 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.483 -2.540 9.601 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.478 -1.627 9.871 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.767 -2.667 10.270 1.00 16.30 N ATOM 0 H HIS A 68 0.424 -0.484 6.086 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.423 -2.765 6.534 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.358 0.068 7.658 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.421 -1.230 8.162 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.129 0.007 8.511 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.333 -3.199 9.697 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.480 -1.417 10.214 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.240 -1.856 5.089 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.249 -1.420 4.138 1.00 3.97 C ATOM 1098 C LEU A 69 -5.515 -1.101 4.879 1.00 5.07 C ATOM 1099 O LEU A 69 -6.040 -1.949 5.559 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.489 -2.607 3.166 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.637 -2.512 2.110 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.642 -1.288 1.120 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.533 -3.834 1.233 1.00 9.96 C ATOM 0 H LEU A 69 -3.426 -2.778 5.483 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.932 -0.531 3.593 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.559 -2.779 2.624 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.674 -3.494 3.772 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.551 -2.380 2.689 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.499 -1.365 0.451 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.708 -0.360 1.689 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.723 -1.290 0.534 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.313 -3.828 0.472 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.556 -3.875 0.751 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.658 -4.707 1.874 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.909 0.168 4.828 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.232 0.639 5.426 1.00 6.26 C ATOM 1117 C VAL A 70 -8.070 1.209 4.325 1.00 9.22 C ATOM 1118 O VAL A 70 -7.497 1.794 3.406 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.918 1.645 6.434 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.257 2.124 7.155 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.037 1.124 7.546 1.00 8.54 C ATOM 0 H VAL A 70 -5.363 0.910 4.391 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.789 -0.174 5.891 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.406 2.442 5.895 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.016 2.875 7.907 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.934 2.553 6.417 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.737 1.271 7.635 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.842 1.923 8.261 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.539 0.299 8.052 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.093 0.773 7.128 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.375 0.930 4.368 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.309 1.406 3.376 1.00 16.06 C ATOM 1133 C LEU A 71 -11.360 2.349 3.991 1.00 18.09 C ATOM 1134 O LEU A 71 -12.011 2.098 5.005 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.256 0.287 2.744 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.550 -0.768 1.890 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.546 -1.533 1.085 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.550 -0.197 0.903 1.00 19.57 C ATOM 0 H LEU A 71 -9.804 0.364 5.100 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.640 1.852 2.640 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.782 -0.219 3.554 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.012 0.779 2.131 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.018 -1.394 2.606 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.030 -2.280 0.482 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.250 -2.029 1.753 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.087 -0.849 0.431 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.093 -1.009 0.337 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.061 0.480 0.219 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.776 0.348 1.443 1.00 19.57 H new