USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 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 7 THR OG1 : rot 112:sc= 0.21 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.00114 USER MOD Single : A 1 MET CE :methyl -176:sc= 0 (180deg=-0.0657) USER MOD Single : A 1 MET N :NH3+ 155:sc= 1.14 (180deg=0.466) 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+ -173:sc= -0.0972! (180deg=-0.493!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -77:sc= 0.368 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 1.22 K(o=1.2,f=-0.51) USER MOD Single : A 27 LYS NZ :NH3+ 168:sc= 1.3 (180deg=1.27) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.806 K(o=-0.81,f=-4.2!) USER MOD Single : A 33 LYS NZ :NH3+ -178:sc= -0.0435 (180deg=-0.0644) USER MOD Single : A 40 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.093) USER MOD Single : A 41 GLN : amide:sc= -0.444 K(o=-0.44,f=-3.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.735 X(o=-0.73,f=-0.34) USER MOD Single : A 55 THR OG1 : rot -80:sc= 1.09 USER MOD Single : A 57 SER OG : rot 73:sc= 1.27 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.299 USER MOD Single : A 60 ASN : amide:sc= -0.288 X(o=-0.29,f=-0.0071) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 63 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0658) USER MOD Single : A 65 SER OG : rot 92:sc= 0.856 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.640 6.265 -1.884 1.00 9.67 N ATOM 2 CA MET A 1 -12.442 6.789 -0.514 1.00 10.38 C ATOM 3 C MET A 1 -10.982 6.951 -0.264 1.00 9.62 C ATOM 4 O MET A 1 -10.155 6.569 -1.090 1.00 9.62 O ATOM 5 CB MET A 1 -13.120 5.834 0.483 1.00 13.77 C ATOM 6 CG MET A 1 -12.518 4.429 0.417 1.00 16.29 C ATOM 7 SD MET A 1 -13.397 3.201 1.429 1.00 17.17 S ATOM 8 CE MET A 1 -11.975 2.076 1.330 1.00 16.11 C ATOM 0 H1 MET A 1 -13.548 5.761 -1.935 1.00 9.67 H new ATOM 0 H2 MET A 1 -12.644 7.055 -2.561 1.00 9.67 H new ATOM 0 H3 MET A 1 -11.867 5.611 -2.121 1.00 9.67 H new ATOM 0 HA MET A 1 -12.901 7.770 -0.390 1.00 10.38 H new ATOM 0 HB2 MET A 1 -13.015 6.228 1.494 1.00 13.77 H new ATOM 0 HB3 MET A 1 -14.188 5.783 0.270 1.00 13.77 H new ATOM 0 HG2 MET A 1 -12.514 4.095 -0.620 1.00 16.29 H new ATOM 0 HG3 MET A 1 -11.478 4.475 0.741 1.00 16.29 H new ATOM 0 HE1 MET A 1 -12.221 1.135 1.822 1.00 16.11 H new ATOM 0 HE2 MET A 1 -11.733 1.887 0.284 1.00 16.11 H new ATOM 0 HE3 MET A 1 -11.116 2.530 1.824 1.00 16.11 H new ATOM 20 N GLN A 2 -10.492 7.565 0.827 1.00 9.27 N ATOM 21 CA GLN A 2 -9.081 7.744 0.969 1.00 9.07 C ATOM 22 C GLN A 2 -8.493 6.772 1.933 1.00 8.72 C ATOM 23 O GLN A 2 -9.059 6.376 2.951 1.00 8.22 O ATOM 24 CB GLN A 2 -8.768 9.149 1.509 1.00 14.46 C ATOM 25 CG GLN A 2 -9.410 10.340 0.796 1.00 17.01 C ATOM 26 CD GLN A 2 -8.969 11.686 1.355 1.00 20.10 C ATOM 27 OE1 GLN A 2 -9.274 12.078 2.480 1.00 21.89 O ATOM 28 NE2 GLN A 2 -8.328 12.513 0.486 1.00 19.49 N ATOM 0 H GLN A 2 -11.057 7.930 1.594 1.00 9.27 H new ATOM 0 HA GLN A 2 -8.652 7.594 -0.022 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -9.070 9.182 2.556 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -7.687 9.285 1.484 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -9.162 10.296 -0.265 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -10.494 10.260 0.874 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -8.079 12.180 -0.445 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -8.097 13.466 0.766 1.00 19.49 H new ATOM 37 N ILE A 3 -7.265 6.422 1.511 1.00 5.87 N ATOM 38 CA ILE A 3 -6.322 5.761 2.359 1.00 5.07 C ATOM 39 C ILE A 3 -5.025 6.487 2.255 1.00 4.01 C ATOM 40 O ILE A 3 -4.785 7.230 1.305 1.00 4.61 O ATOM 41 CB ILE A 3 -6.239 4.306 2.001 1.00 6.55 C ATOM 42 CG1 ILE A 3 -5.759 4.099 0.554 1.00 4.72 C ATOM 43 CG2 ILE A 3 -7.581 3.634 2.336 1.00 5.58 C ATOM 44 CD1 ILE A 3 -5.156 2.709 0.353 1.00 10.83 C ATOM 0 H ILE A 3 -6.921 6.600 0.567 1.00 5.87 H new ATOM 0 HA ILE A 3 -6.631 5.784 3.404 1.00 5.07 H new ATOM 0 HB ILE A 3 -5.475 3.812 2.601 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -6.596 4.235 -0.130 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -5.017 4.857 0.305 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -7.532 2.576 2.080 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -7.785 3.740 3.401 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -8.378 4.109 1.765 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -4.829 2.600 -0.681 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -4.302 2.583 1.019 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -5.906 1.951 0.577 1.00 10.83 H new ATOM 56 N PHE A 4 -4.218 6.215 3.296 1.00 4.55 N ATOM 57 CA PHE A 4 -3.065 7.032 3.517 1.00 4.68 C ATOM 58 C PHE A 4 -1.911 6.091 3.561 1.00 5.30 C ATOM 59 O PHE A 4 -1.776 5.347 4.531 1.00 5.58 O ATOM 60 CB PHE A 4 -3.074 7.770 4.866 1.00 4.83 C ATOM 61 CG PHE A 4 -4.105 8.824 4.655 1.00 7.97 C ATOM 62 CD1 PHE A 4 -3.723 10.043 4.146 1.00 6.69 C ATOM 63 CD2 PHE A 4 -5.418 8.531 4.942 1.00 8.34 C ATOM 64 CE1 PHE A 4 -4.666 10.988 3.817 1.00 9.10 C ATOM 65 CE2 PHE A 4 -6.343 9.482 4.582 1.00 10.61 C ATOM 66 CZ PHE A 4 -5.991 10.694 4.034 1.00 8.90 C ATOM 0 H PHE A 4 -4.355 5.457 3.964 1.00 4.55 H new ATOM 0 HA PHE A 4 -3.026 7.787 2.732 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -3.337 7.106 5.689 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -2.099 8.198 5.100 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -2.675 10.260 4.004 1.00 6.69 H new ATOM 0 HD2 PHE A 4 -5.705 7.607 5.422 1.00 8.34 H new ATOM 0 HE1 PHE A 4 -4.372 11.939 3.398 1.00 9.10 H new ATOM 0 HE2 PHE A 4 -7.391 9.269 4.736 1.00 10.61 H new ATOM 0 HZ PHE A 4 -6.754 11.413 3.775 1.00 8.90 H new ATOM 76 N VAL A 5 -1.028 6.179 2.550 1.00 4.44 N ATOM 77 CA VAL A 5 0.045 5.240 2.439 1.00 3.87 C ATOM 78 C VAL A 5 1.297 5.926 2.865 1.00 4.93 C ATOM 79 O VAL A 5 1.571 7.001 2.334 1.00 6.84 O ATOM 80 CB VAL A 5 0.233 4.666 1.066 1.00 2.99 C ATOM 81 CG1 VAL A 5 1.372 3.636 1.157 1.00 5.28 C ATOM 82 CG2 VAL A 5 -1.103 4.006 0.684 1.00 9.13 C ATOM 0 H VAL A 5 -1.055 6.890 1.819 1.00 4.44 H new ATOM 0 HA VAL A 5 -0.204 4.392 3.076 1.00 3.87 H new ATOM 0 HB VAL A 5 0.496 5.409 0.313 1.00 2.99 H new ATOM 0 HG11 VAL A 5 1.541 3.193 0.176 1.00 5.28 H new ATOM 0 HG12 VAL A 5 2.283 4.130 1.494 1.00 5.28 H new ATOM 0 HG13 VAL A 5 1.100 2.854 1.866 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -1.022 3.570 -0.312 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -1.341 3.224 1.405 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -1.894 4.756 0.688 1.00 9.13 H new ATOM 92 N LYS A 6 2.096 5.435 3.829 1.00 6.04 N ATOM 93 CA LYS A 6 3.166 6.117 4.489 1.00 6.12 C ATOM 94 C LYS A 6 4.462 5.404 4.314 1.00 6.57 C ATOM 95 O LYS A 6 4.607 4.236 4.673 1.00 5.76 O ATOM 96 CB LYS A 6 2.856 6.301 5.984 1.00 7.45 C ATOM 97 CG LYS A 6 1.499 6.984 6.164 1.00 11.12 C ATOM 98 CD LYS A 6 1.233 7.425 7.605 1.00 14.54 C ATOM 99 CE LYS A 6 -0.194 7.897 7.892 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.453 8.090 9.337 1.00 20.55 N ATOM 0 H LYS A 6 1.983 4.482 4.174 1.00 6.04 H new ATOM 0 HA LYS A 6 3.260 7.100 4.027 1.00 6.12 H new ATOM 0 HB2 LYS A 6 2.852 5.332 6.484 1.00 7.45 H new ATOM 0 HB3 LYS A 6 3.637 6.899 6.454 1.00 7.45 H new ATOM 0 HG2 LYS A 6 1.448 7.854 5.509 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.711 6.301 5.849 1.00 11.12 H new ATOM 0 HD2 LYS A 6 1.464 6.593 8.270 1.00 14.54 H new ATOM 0 HD3 LYS A 6 1.922 8.232 7.853 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.375 8.835 7.366 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -0.900 7.168 7.495 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.433 8.410 9.474 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.309 7.191 9.839 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.201 8.806 9.714 1.00 20.55 H new ATOM 114 N THR A 7 5.433 6.204 3.838 1.00 7.41 N ATOM 115 CA THR A 7 6.800 5.785 3.822 1.00 7.48 C ATOM 116 C THR A 7 7.360 5.733 5.202 1.00 8.75 C ATOM 117 O THR A 7 6.757 6.166 6.183 1.00 8.58 O ATOM 118 CB THR A 7 7.662 6.568 2.877 1.00 9.61 C ATOM 119 OG1 THR A 7 7.872 7.899 3.325 1.00 11.78 O ATOM 120 CG2 THR A 7 7.078 6.500 1.455 1.00 9.17 C ATOM 0 H THR A 7 5.272 7.139 3.465 1.00 7.41 H new ATOM 0 HA THR A 7 6.807 4.771 3.423 1.00 7.48 H new ATOM 0 HB THR A 7 8.652 6.113 2.851 1.00 9.61 H new ATOM 0 HG1 THR A 7 8.813 8.017 3.571 1.00 11.78 H new ATOM 0 HG21 THR A 7 7.710 7.071 0.775 1.00 9.17 H new ATOM 0 HG22 THR A 7 7.038 5.461 1.127 1.00 9.17 H new ATOM 0 HG23 THR A 7 6.072 6.920 1.454 1.00 9.17 H new ATOM 128 N LEU A 8 8.563 5.166 5.402 1.00 9.84 N ATOM 129 CA LEU A 8 9.248 4.978 6.643 1.00 14.15 C ATOM 130 C LEU A 8 9.965 6.204 7.091 1.00 17.37 C ATOM 131 O LEU A 8 10.253 6.296 8.284 1.00 17.01 O ATOM 132 CB LEU A 8 10.333 3.892 6.548 1.00 16.63 C ATOM 133 CG LEU A 8 9.840 2.463 6.266 1.00 18.88 C ATOM 134 CD1 LEU A 8 11.045 1.511 6.180 1.00 18.59 C ATOM 135 CD2 LEU A 8 8.814 1.903 7.266 1.00 19.31 C ATOM 0 H LEU A 8 9.106 4.805 4.618 1.00 9.84 H new ATOM 0 HA LEU A 8 8.460 4.701 7.343 1.00 14.15 H new ATOM 0 HB2 LEU A 8 11.033 4.175 5.761 1.00 16.63 H new ATOM 0 HB3 LEU A 8 10.892 3.883 7.484 1.00 16.63 H new ATOM 0 HG LEU A 8 9.307 2.529 5.318 1.00 18.88 H new ATOM 0 HD11 LEU A 8 10.695 0.498 5.980 1.00 18.59 H new ATOM 0 HD12 LEU A 8 11.706 1.832 5.375 1.00 18.59 H new ATOM 0 HD13 LEU A 8 11.589 1.527 7.124 1.00 18.59 H new ATOM 0 HD21 LEU A 8 8.535 0.891 6.973 1.00 19.31 H new ATOM 0 HD22 LEU A 8 9.252 1.884 8.264 1.00 19.31 H new ATOM 0 HD23 LEU A 8 7.927 2.537 7.271 1.00 19.31 H new ATOM 147 N THR A 9 10.128 7.224 6.230 1.00 18.33 N ATOM 148 CA THR A 9 10.816 8.429 6.575 1.00 19.24 C ATOM 149 C THR A 9 9.860 9.439 7.109 1.00 19.48 C ATOM 150 O THR A 9 10.079 10.147 8.091 1.00 23.14 O ATOM 151 CB THR A 9 11.529 9.052 5.410 1.00 18.97 C ATOM 152 OG1 THR A 9 10.654 9.336 4.328 1.00 20.24 O ATOM 153 CG2 THR A 9 12.628 8.100 4.910 1.00 19.70 C ATOM 0 H THR A 9 9.774 7.211 5.273 1.00 18.33 H new ATOM 0 HA THR A 9 11.554 8.144 7.325 1.00 19.24 H new ATOM 0 HB THR A 9 11.953 9.993 5.761 1.00 18.97 H new ATOM 0 HG1 THR A 9 11.162 9.741 3.594 1.00 20.24 H new ATOM 0 HG21 THR A 9 13.145 8.553 4.064 1.00 19.70 H new ATOM 0 HG22 THR A 9 13.341 7.913 5.713 1.00 19.70 H new ATOM 0 HG23 THR A 9 12.178 7.157 4.598 1.00 19.70 H new ATOM 161 N GLY A 10 8.656 9.455 6.508 1.00 19.43 N ATOM 162 CA GLY A 10 7.520 10.178 6.988 1.00 18.74 C ATOM 163 C GLY A 10 6.904 11.016 5.921 1.00 17.62 C ATOM 164 O GLY A 10 6.464 12.112 6.268 1.00 19.74 O ATOM 0 H GLY A 10 8.467 8.940 5.648 1.00 19.43 H new ATOM 0 HA2 GLY A 10 6.779 9.477 7.372 1.00 18.74 H new ATOM 0 HA3 GLY A 10 7.820 10.814 7.821 1.00 18.74 H new ATOM 168 N LYS A 11 6.842 10.537 4.666 1.00 13.56 N ATOM 169 CA LYS A 11 6.132 11.184 3.607 1.00 11.91 C ATOM 170 C LYS A 11 4.841 10.443 3.542 1.00 10.18 C ATOM 171 O LYS A 11 4.833 9.213 3.536 1.00 9.10 O ATOM 172 CB LYS A 11 6.886 11.146 2.267 1.00 13.43 C ATOM 173 CG LYS A 11 6.335 12.025 1.142 1.00 16.69 C ATOM 174 CD LYS A 11 7.132 11.936 -0.161 1.00 17.92 C ATOM 175 CE LYS A 11 6.821 12.941 -1.273 1.00 20.81 C ATOM 176 NZ LYS A 11 5.482 12.631 -1.822 1.00 21.93 N ATOM 0 H LYS A 11 7.300 9.672 4.379 1.00 13.56 H new ATOM 0 HA LYS A 11 6.000 12.249 3.797 1.00 11.91 H new ATOM 0 HB2 LYS A 11 7.920 11.437 2.450 1.00 13.43 H new ATOM 0 HB3 LYS A 11 6.903 10.114 1.915 1.00 13.43 H new ATOM 0 HG2 LYS A 11 5.302 11.740 0.945 1.00 16.69 H new ATOM 0 HG3 LYS A 11 6.321 13.062 1.478 1.00 16.69 H new ATOM 0 HD2 LYS A 11 8.189 12.033 0.089 1.00 17.92 H new ATOM 0 HD3 LYS A 11 6.991 10.935 -0.569 1.00 17.92 H new ATOM 0 HE2 LYS A 11 6.844 13.958 -0.882 1.00 20.81 H new ATOM 0 HE3 LYS A 11 7.575 12.884 -2.058 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 5.302 13.226 -2.656 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 5.443 11.629 -2.097 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 4.758 12.820 -1.099 1.00 21.93 H new ATOM 190 N THR A 12 3.703 11.136 3.359 1.00 9.63 N ATOM 191 CA THR A 12 2.424 10.501 3.439 1.00 9.85 C ATOM 192 C THR A 12 1.781 10.558 2.096 1.00 11.66 C ATOM 193 O THR A 12 1.602 11.654 1.567 1.00 12.33 O ATOM 194 CB THR A 12 1.474 11.102 4.431 1.00 10.85 C ATOM 195 OG1 THR A 12 1.967 10.996 5.759 1.00 10.91 O ATOM 196 CG2 THR A 12 0.170 10.290 4.522 1.00 9.63 C ATOM 0 H THR A 12 3.668 12.135 3.156 1.00 9.63 H new ATOM 0 HA THR A 12 2.621 9.484 3.779 1.00 9.85 H new ATOM 0 HB THR A 12 1.338 12.129 4.091 1.00 10.85 H new ATOM 0 HG1 THR A 12 1.324 11.399 6.380 1.00 10.91 H new ATOM 0 HG21 THR A 12 -0.497 10.753 5.250 1.00 9.63 H new ATOM 0 HG22 THR A 12 -0.315 10.271 3.546 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.397 9.271 4.834 1.00 9.63 H new ATOM 204 N ILE A 13 1.406 9.410 1.504 1.00 10.42 N ATOM 205 CA ILE A 13 0.959 9.303 0.150 1.00 11.84 C ATOM 206 C ILE A 13 -0.518 9.214 0.325 1.00 10.55 C ATOM 207 O ILE A 13 -1.017 8.369 1.066 1.00 11.92 O ATOM 208 CB ILE A 13 1.572 8.164 -0.610 1.00 14.86 C ATOM 209 CG1 ILE A 13 3.108 8.149 -0.682 1.00 14.87 C ATOM 210 CG2 ILE A 13 0.983 7.940 -2.013 1.00 17.08 C ATOM 211 CD1 ILE A 13 3.644 6.790 -1.131 1.00 16.46 C ATOM 0 H ILE A 13 1.415 8.515 1.993 1.00 10.42 H new ATOM 0 HA ILE A 13 1.263 10.141 -0.478 1.00 11.84 H new ATOM 0 HB ILE A 13 1.283 7.323 0.020 1.00 14.86 H new ATOM 0 HG12 ILE A 13 3.447 8.920 -1.375 1.00 14.87 H new ATOM 0 HG13 ILE A 13 3.520 8.396 0.296 1.00 14.87 H new ATOM 0 HG21 ILE A 13 1.486 7.098 -2.488 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.083 7.727 -1.930 1.00 17.08 H new ATOM 0 HG23 ILE A 13 1.128 8.836 -2.616 1.00 17.08 H new ATOM 0 HD11 ILE A 13 4.733 6.823 -1.169 1.00 16.46 H new ATOM 0 HD12 ILE A 13 3.328 6.023 -0.424 1.00 16.46 H new ATOM 0 HD13 ILE A 13 3.254 6.554 -2.121 1.00 16.46 H new ATOM 223 N THR A 14 -1.259 10.066 -0.406 1.00 9.39 N ATOM 224 CA THR A 14 -2.687 10.119 -0.363 1.00 9.63 C ATOM 225 C THR A 14 -3.301 9.672 -1.645 1.00 11.20 C ATOM 226 O THR A 14 -3.210 10.281 -2.710 1.00 11.63 O ATOM 227 CB THR A 14 -3.271 11.478 -0.113 1.00 10.38 C ATOM 228 OG1 THR A 14 -2.899 12.042 1.136 1.00 16.30 O ATOM 229 CG2 THR A 14 -4.808 11.456 -0.054 1.00 11.66 C ATOM 0 H THR A 14 -0.849 10.742 -1.050 1.00 9.39 H new ATOM 0 HA THR A 14 -2.916 9.460 0.475 1.00 9.63 H new ATOM 0 HB THR A 14 -2.884 12.060 -0.949 1.00 10.38 H new ATOM 0 HG1 THR A 14 -3.425 11.628 1.852 1.00 16.30 H new ATOM 0 HG21 THR A 14 -5.180 12.464 0.129 1.00 11.66 H new ATOM 0 HG22 THR A 14 -5.203 11.090 -1.002 1.00 11.66 H new ATOM 0 HG23 THR A 14 -5.132 10.798 0.752 1.00 11.66 H new ATOM 237 N LEU A 15 -3.975 8.518 -1.501 1.00 8.29 N ATOM 238 CA LEU A 15 -4.611 7.915 -2.632 1.00 9.03 C ATOM 239 C LEU A 15 -6.093 7.850 -2.491 1.00 8.59 C ATOM 240 O LEU A 15 -6.612 7.839 -1.376 1.00 7.79 O ATOM 241 CB LEU A 15 -4.288 6.419 -2.783 1.00 11.08 C ATOM 242 CG LEU A 15 -2.765 6.228 -2.873 1.00 15.79 C ATOM 243 CD1 LEU A 15 -2.470 4.719 -2.885 1.00 15.27 C ATOM 244 CD2 LEU A 15 -2.058 6.882 -4.073 1.00 15.88 C ATOM 0 H LEU A 15 -4.080 8.011 -0.622 1.00 8.29 H new ATOM 0 HA LEU A 15 -4.256 8.536 -3.454 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -4.685 5.863 -1.934 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -4.768 6.021 -3.677 1.00 11.08 H new ATOM 0 HG LEU A 15 -2.360 6.744 -2.002 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -1.394 4.559 -2.949 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -2.851 4.267 -1.969 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -2.956 4.260 -3.746 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -0.989 6.675 -4.022 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -2.463 6.475 -5.000 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -2.221 7.960 -4.048 1.00 15.88 H new ATOM 256 N GLU A 16 -6.835 7.720 -3.606 1.00 11.04 N ATOM 257 CA GLU A 16 -8.250 7.519 -3.634 1.00 11.50 C ATOM 258 C GLU A 16 -8.402 6.143 -4.186 1.00 10.13 C ATOM 259 O GLU A 16 -8.079 5.885 -5.345 1.00 9.83 O ATOM 260 CB GLU A 16 -8.936 8.421 -4.673 1.00 17.22 C ATOM 261 CG GLU A 16 -9.375 9.772 -4.106 1.00 23.33 C ATOM 262 CD GLU A 16 -10.201 10.642 -5.043 1.00 26.99 C ATOM 263 OE1 GLU A 16 -10.344 10.251 -6.232 1.00 28.86 O ATOM 264 OE2 GLU A 16 -10.660 11.736 -4.619 1.00 28.90 O ATOM 0 H GLU A 16 -6.424 7.757 -4.539 1.00 11.04 H new ATOM 0 HA GLU A 16 -8.674 7.707 -2.648 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -8.253 8.589 -5.506 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -9.807 7.903 -5.075 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -9.954 9.595 -3.200 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -8.485 10.329 -3.812 1.00 23.33 H new ATOM 271 N VAL A 17 -8.981 5.251 -3.363 1.00 8.99 N ATOM 272 CA VAL A 17 -9.165 3.888 -3.755 1.00 8.85 C ATOM 273 C VAL A 17 -10.605 3.534 -3.607 1.00 8.04 C ATOM 274 O VAL A 17 -11.277 4.052 -2.717 1.00 8.99 O ATOM 275 CB VAL A 17 -8.312 2.881 -3.042 1.00 9.78 C ATOM 276 CG1 VAL A 17 -6.857 3.348 -3.215 1.00 12.05 C ATOM 277 CG2 VAL A 17 -8.735 2.776 -1.568 1.00 10.54 C ATOM 0 H VAL A 17 -9.321 5.473 -2.427 1.00 8.99 H new ATOM 0 HA VAL A 17 -8.836 3.834 -4.793 1.00 8.85 H new ATOM 0 HB VAL A 17 -8.425 1.878 -3.453 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -6.188 2.649 -2.713 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -6.611 3.387 -4.276 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -6.739 4.340 -2.778 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -8.109 2.042 -1.061 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -8.619 3.747 -1.086 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -9.778 2.465 -1.510 1.00 10.54 H new ATOM 287 N GLU A 18 -11.057 2.532 -4.382 1.00 7.29 N ATOM 288 CA GLU A 18 -12.359 1.978 -4.175 1.00 7.08 C ATOM 289 C GLU A 18 -12.247 0.780 -3.296 1.00 6.45 C ATOM 290 O GLU A 18 -11.187 0.156 -3.318 1.00 5.28 O ATOM 291 CB GLU A 18 -13.006 1.573 -5.511 1.00 10.28 C ATOM 292 CG GLU A 18 -13.426 2.703 -6.453 1.00 12.65 C ATOM 293 CD GLU A 18 -14.367 3.646 -5.716 1.00 14.15 C ATOM 294 OE1 GLU A 18 -15.438 3.129 -5.301 1.00 14.33 O ATOM 295 OE2 GLU A 18 -14.049 4.862 -5.627 1.00 18.17 O ATOM 0 H GLU A 18 -10.528 2.109 -5.144 1.00 7.29 H new ATOM 0 HA GLU A 18 -12.988 2.734 -3.704 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -12.306 0.930 -6.045 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -13.887 0.971 -5.291 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -12.548 3.246 -6.803 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -13.919 2.293 -7.334 1.00 12.65 H new ATOM 302 N PRO A 19 -13.112 0.350 -2.427 1.00 7.24 N ATOM 303 CA PRO A 19 -12.861 -0.806 -1.616 1.00 7.07 C ATOM 304 C PRO A 19 -12.758 -2.140 -2.272 1.00 6.65 C ATOM 305 O PRO A 19 -12.294 -3.069 -1.613 1.00 6.37 O ATOM 306 CB PRO A 19 -14.038 -0.827 -0.645 1.00 7.61 C ATOM 307 CG PRO A 19 -15.118 0.107 -1.215 1.00 8.16 C ATOM 308 CD PRO A 19 -14.332 1.077 -2.110 1.00 7.49 C ATOM 0 HA PRO A 19 -11.862 -0.689 -1.195 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -14.426 -1.840 -0.533 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -13.726 -0.494 0.345 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -15.865 -0.446 -1.785 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -15.648 0.635 -0.423 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -14.891 1.332 -3.011 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -14.117 2.012 -1.593 1.00 7.49 H new ATOM 316 N SER A 20 -13.106 -2.099 -3.570 1.00 6.80 N ATOM 317 CA SER A 20 -12.766 -3.180 -4.442 1.00 6.28 C ATOM 318 C SER A 20 -11.592 -3.085 -5.355 1.00 8.45 C ATOM 319 O SER A 20 -11.420 -3.945 -6.218 1.00 7.26 O ATOM 320 CB SER A 20 -13.988 -3.492 -5.323 1.00 8.57 C ATOM 321 OG SER A 20 -15.191 -3.765 -4.621 1.00 11.13 O ATOM 0 H SER A 20 -13.614 -1.332 -4.010 1.00 6.80 H new ATOM 0 HA SER A 20 -12.463 -3.946 -3.728 1.00 6.28 H new ATOM 0 HB2 SER A 20 -14.160 -2.646 -5.989 1.00 8.57 H new ATOM 0 HB3 SER A 20 -13.752 -4.350 -5.952 1.00 8.57 H new ATOM 0 HG SER A 20 -15.909 -3.949 -5.262 1.00 11.13 H new ATOM 327 N ASP A 21 -10.750 -2.064 -5.119 1.00 7.50 N ATOM 328 CA ASP A 21 -9.500 -2.046 -5.814 1.00 7.70 C ATOM 329 C ASP A 21 -8.542 -3.032 -5.239 1.00 7.08 C ATOM 330 O ASP A 21 -8.796 -3.569 -4.162 1.00 8.11 O ATOM 331 CB ASP A 21 -8.887 -0.635 -5.806 1.00 11.00 C ATOM 332 CG ASP A 21 -9.165 0.120 -7.098 1.00 15.32 C ATOM 333 OD1 ASP A 21 -8.773 -0.343 -8.202 1.00 18.03 O ATOM 334 OD2 ASP A 21 -9.944 1.110 -7.082 1.00 14.36 O ATOM 0 H ASP A 21 -10.920 -1.287 -4.481 1.00 7.50 H new ATOM 0 HA ASP A 21 -9.697 -2.332 -6.847 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -9.289 -0.071 -4.964 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -7.810 -0.709 -5.655 1.00 11.00 H new ATOM 339 N THR A 22 -7.479 -3.336 -6.006 1.00 5.37 N ATOM 340 CA THR A 22 -6.443 -4.216 -5.564 1.00 6.01 C ATOM 341 C THR A 22 -5.160 -3.582 -5.150 1.00 8.01 C ATOM 342 O THR A 22 -4.838 -2.455 -5.524 1.00 8.11 O ATOM 343 CB THR A 22 -6.023 -5.231 -6.586 1.00 8.92 C ATOM 344 OG1 THR A 22 -5.679 -4.603 -7.812 1.00 10.22 O ATOM 345 CG2 THR A 22 -7.212 -6.185 -6.792 1.00 9.65 C ATOM 0 H THR A 22 -7.337 -2.966 -6.946 1.00 5.37 H new ATOM 0 HA THR A 22 -6.946 -4.657 -4.703 1.00 6.01 H new ATOM 0 HB THR A 22 -5.142 -5.773 -6.242 1.00 8.92 H new ATOM 0 HG1 THR A 22 -5.407 -5.283 -8.463 1.00 10.22 H new ATOM 0 HG21 THR A 22 -6.948 -6.942 -7.531 1.00 9.65 H new ATOM 0 HG22 THR A 22 -7.457 -6.670 -5.847 1.00 9.65 H new ATOM 0 HG23 THR A 22 -8.075 -5.620 -7.144 1.00 9.65 H new ATOM 353 N ILE A 23 -4.279 -4.308 -4.439 1.00 8.32 N ATOM 354 CA ILE A 23 -2.956 -3.940 -4.039 1.00 9.92 C ATOM 355 C ILE A 23 -2.061 -3.733 -5.211 1.00 10.01 C ATOM 356 O ILE A 23 -1.279 -2.787 -5.286 1.00 8.71 O ATOM 357 CB ILE A 23 -2.362 -4.940 -3.092 1.00 10.78 C ATOM 358 CG1 ILE A 23 -3.194 -5.303 -1.851 1.00 11.38 C ATOM 359 CG2 ILE A 23 -0.904 -4.659 -2.690 1.00 10.90 C ATOM 360 CD1 ILE A 23 -3.362 -4.034 -1.016 1.00 12.30 C ATOM 0 H ILE A 23 -4.519 -5.244 -4.113 1.00 8.32 H new ATOM 0 HA ILE A 23 -3.043 -2.990 -3.512 1.00 9.92 H new ATOM 0 HB ILE A 23 -2.377 -5.828 -3.725 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -4.166 -5.699 -2.145 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -2.696 -6.080 -1.270 1.00 11.38 H new ATOM 0 HG21 ILE A 23 -0.560 -5.433 -2.004 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.275 -4.657 -3.580 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -0.842 -3.687 -2.200 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -3.950 -4.259 -0.126 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -2.382 -3.662 -0.719 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -3.875 -3.275 -1.607 1.00 12.30 H new ATOM 372 N GLU A 24 -2.246 -4.546 -6.266 1.00 9.54 N ATOM 373 CA GLU A 24 -1.600 -4.342 -7.526 1.00 11.81 C ATOM 374 C GLU A 24 -1.776 -2.989 -8.125 1.00 11.14 C ATOM 375 O GLU A 24 -0.837 -2.378 -8.633 1.00 10.62 O ATOM 376 CB GLU A 24 -2.219 -5.370 -8.488 1.00 19.24 C ATOM 377 CG GLU A 24 -1.523 -5.702 -9.810 1.00 27.76 C ATOM 378 CD GLU A 24 -2.334 -6.568 -10.763 1.00 32.92 C ATOM 379 OE1 GLU A 24 -3.404 -6.079 -11.215 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.945 -7.729 -11.057 1.00 36.51 O ATOM 0 H GLU A 24 -2.857 -5.362 -6.244 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.527 -4.449 -7.364 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -2.328 -6.304 -7.937 1.00 19.24 H new ATOM 0 HB3 GLU A 24 -3.224 -5.023 -8.730 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.271 -4.769 -10.315 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -0.584 -6.210 -9.591 1.00 27.76 H new ATOM 387 N ASN A 25 -2.995 -2.421 -8.136 1.00 9.43 N ATOM 388 CA ASN A 25 -3.357 -1.083 -8.485 1.00 10.96 C ATOM 389 C ASN A 25 -2.819 -0.034 -7.574 1.00 9.68 C ATOM 390 O ASN A 25 -2.294 0.969 -8.056 1.00 9.33 O ATOM 391 CB ASN A 25 -4.865 -0.805 -8.602 1.00 16.78 C ATOM 392 CG ASN A 25 -5.535 -1.636 -9.686 1.00 22.31 C ATOM 393 OD1 ASN A 25 -4.961 -2.259 -10.578 1.00 25.66 O ATOM 394 ND2 ASN A 25 -6.893 -1.597 -9.623 1.00 24.70 N ATOM 0 H ASN A 25 -3.817 -2.964 -7.870 1.00 9.43 H new ATOM 0 HA ASN A 25 -2.894 -1.018 -9.470 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -5.343 -1.011 -7.645 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -5.019 0.253 -8.814 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -7.450 -2.089 -10.322 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -7.354 -1.076 -8.877 1.00 24.70 H new ATOM 401 N VAL A 26 -2.802 -0.193 -6.239 1.00 6.52 N ATOM 402 CA VAL A 26 -2.243 0.704 -5.275 1.00 5.53 C ATOM 403 C VAL A 26 -0.793 0.799 -5.608 1.00 4.42 C ATOM 404 O VAL A 26 -0.258 1.889 -5.806 1.00 3.40 O ATOM 405 CB VAL A 26 -2.449 0.256 -3.859 1.00 3.86 C ATOM 406 CG1 VAL A 26 -1.868 1.216 -2.807 1.00 7.25 C ATOM 407 CG2 VAL A 26 -3.913 0.103 -3.412 1.00 8.12 C ATOM 0 H VAL A 26 -3.213 -1.016 -5.799 1.00 6.52 H new ATOM 0 HA VAL A 26 -2.742 1.672 -5.328 1.00 5.53 H new ATOM 0 HB VAL A 26 -1.939 -0.707 -3.894 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -2.058 0.821 -1.809 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -0.793 1.315 -2.959 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -2.340 2.193 -2.906 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -3.944 -0.225 -2.373 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -4.424 1.061 -3.506 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -4.410 -0.636 -4.040 1.00 8.12 H new ATOM 417 N LYS A 27 -0.086 -0.339 -5.720 1.00 2.64 N ATOM 418 CA LYS A 27 1.306 -0.295 -6.047 1.00 4.14 C ATOM 419 C LYS A 27 1.654 0.368 -7.335 1.00 5.58 C ATOM 420 O LYS A 27 2.637 1.082 -7.530 1.00 4.11 O ATOM 421 CB LYS A 27 1.905 -1.712 -6.045 1.00 3.97 C ATOM 422 CG LYS A 27 2.107 -2.350 -4.669 1.00 7.45 C ATOM 423 CD LYS A 27 2.631 -3.787 -4.693 1.00 9.02 C ATOM 424 CE LYS A 27 3.271 -4.386 -3.439 1.00 12.90 C ATOM 425 NZ LYS A 27 3.832 -5.721 -3.747 1.00 15.47 N ATOM 0 H LYS A 27 -0.469 -1.275 -5.587 1.00 2.64 H new ATOM 0 HA LYS A 27 1.737 0.330 -5.265 1.00 4.14 H new ATOM 0 HB2 LYS A 27 1.256 -2.361 -6.633 1.00 3.97 H new ATOM 0 HB3 LYS A 27 2.868 -1.679 -6.554 1.00 3.97 H new ATOM 0 HG2 LYS A 27 2.803 -1.735 -4.099 1.00 7.45 H new ATOM 0 HG3 LYS A 27 1.157 -2.335 -4.135 1.00 7.45 H new ATOM 0 HD2 LYS A 27 1.798 -4.432 -4.972 1.00 9.02 H new ATOM 0 HD3 LYS A 27 3.366 -3.851 -5.495 1.00 9.02 H new ATOM 0 HE2 LYS A 27 4.058 -3.727 -3.072 1.00 12.90 H new ATOM 0 HE3 LYS A 27 2.528 -4.468 -2.645 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 4.436 -6.034 -2.960 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 3.057 -6.401 -3.879 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 4.398 -5.667 -4.618 1.00 15.47 H new ATOM 439 N ALA A 28 0.760 0.179 -8.321 1.00 6.61 N ATOM 440 CA ALA A 28 0.917 0.860 -9.569 1.00 7.74 C ATOM 441 C ALA A 28 0.906 2.347 -9.466 1.00 9.17 C ATOM 442 O ALA A 28 1.647 3.076 -10.123 1.00 11.45 O ATOM 443 CB ALA A 28 -0.216 0.425 -10.514 1.00 7.68 C ATOM 0 H ALA A 28 -0.055 -0.431 -8.259 1.00 6.61 H new ATOM 0 HA ALA A 28 1.902 0.585 -9.946 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -0.109 0.937 -11.470 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -0.165 -0.652 -10.671 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.178 0.682 -10.071 1.00 7.68 H new ATOM 449 N LYS A 29 -0.042 2.880 -8.674 1.00 8.96 N ATOM 450 CA LYS A 29 -0.289 4.280 -8.524 1.00 7.90 C ATOM 451 C LYS A 29 0.796 4.872 -7.691 1.00 6.92 C ATOM 452 O LYS A 29 1.098 6.034 -7.958 1.00 6.87 O ATOM 453 CB LYS A 29 -1.695 4.592 -7.985 1.00 10.28 C ATOM 454 CG LYS A 29 -2.839 4.191 -8.919 1.00 14.94 C ATOM 455 CD LYS A 29 -4.101 4.765 -8.271 1.00 19.69 C ATOM 456 CE LYS A 29 -5.348 3.884 -8.372 1.00 22.63 C ATOM 457 NZ LYS A 29 -5.698 3.562 -9.774 1.00 24.98 N ATOM 0 H LYS A 29 -0.667 2.305 -8.110 1.00 8.96 H new ATOM 0 HA LYS A 29 -0.272 4.745 -9.510 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -1.826 4.081 -7.031 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -1.764 5.661 -7.785 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -2.691 4.595 -9.920 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -2.905 3.108 -9.019 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -3.894 4.954 -7.218 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -4.319 5.729 -8.731 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -5.182 2.959 -7.820 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -6.188 4.392 -7.898 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -6.549 2.964 -9.791 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -5.883 4.442 -10.296 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -4.908 3.054 -10.221 1.00 24.98 H new ATOM 471 N ILE A 30 1.475 4.136 -6.793 1.00 4.57 N ATOM 472 CA ILE A 30 2.634 4.645 -6.127 1.00 5.58 C ATOM 473 C ILE A 30 3.750 4.842 -7.094 1.00 7.26 C ATOM 474 O ILE A 30 4.603 5.725 -7.014 1.00 9.46 O ATOM 475 CB ILE A 30 2.967 3.760 -4.963 1.00 5.36 C ATOM 476 CG1 ILE A 30 1.835 3.773 -3.921 1.00 2.94 C ATOM 477 CG2 ILE A 30 4.317 4.118 -4.319 1.00 2.78 C ATOM 478 CD1 ILE A 30 1.906 2.587 -2.960 1.00 2.00 C ATOM 0 H ILE A 30 1.220 3.185 -6.527 1.00 4.57 H new ATOM 0 HA ILE A 30 2.438 5.635 -5.715 1.00 5.58 H new ATOM 0 HB ILE A 30 3.065 2.747 -5.353 1.00 5.36 H new ATOM 0 HG12 ILE A 30 1.882 4.701 -3.351 1.00 2.94 H new ATOM 0 HG13 ILE A 30 0.874 3.763 -4.435 1.00 2.94 H new ATOM 0 HG21 ILE A 30 4.510 3.447 -3.482 1.00 2.78 H new ATOM 0 HG22 ILE A 30 5.112 4.014 -5.058 1.00 2.78 H new ATOM 0 HG23 ILE A 30 4.288 5.147 -3.960 1.00 2.78 H new ATOM 0 HD11 ILE A 30 1.084 2.647 -2.247 1.00 2.00 H new ATOM 0 HD12 ILE A 30 1.831 1.657 -3.524 1.00 2.00 H new ATOM 0 HD13 ILE A 30 2.854 2.610 -2.423 1.00 2.00 H new ATOM 490 N GLN A 31 3.826 4.046 -8.176 1.00 7.06 N ATOM 491 CA GLN A 31 4.799 4.195 -9.213 1.00 8.67 C ATOM 492 C GLN A 31 4.655 5.439 -10.020 1.00 10.90 C ATOM 493 O GLN A 31 5.608 6.206 -10.146 1.00 9.63 O ATOM 494 CB GLN A 31 4.903 2.936 -10.090 1.00 9.12 C ATOM 495 CG GLN A 31 6.040 2.938 -11.114 1.00 10.76 C ATOM 496 CD GLN A 31 5.894 1.736 -12.036 1.00 13.78 C ATOM 497 OE1 GLN A 31 4.972 0.960 -11.786 1.00 14.48 O ATOM 498 NE2 GLN A 31 6.800 1.635 -13.045 1.00 14.76 N ATOM 0 H GLN A 31 3.185 3.269 -8.334 1.00 7.06 H new ATOM 0 HA GLN A 31 5.750 4.313 -8.694 1.00 8.67 H new ATOM 0 HB2 GLN A 31 5.025 2.070 -9.439 1.00 9.12 H new ATOM 0 HB3 GLN A 31 3.960 2.805 -10.621 1.00 9.12 H new ATOM 0 HG2 GLN A 31 6.019 3.860 -11.695 1.00 10.76 H new ATOM 0 HG3 GLN A 31 7.003 2.904 -10.604 1.00 10.76 H new ATOM 0 HE21 GLN A 31 7.524 2.345 -13.153 1.00 14.76 H new ATOM 0 HE22 GLN A 31 6.755 0.849 -13.694 1.00 14.76 H new ATOM 507 N ASP A 32 3.430 5.740 -10.486 1.00 10.93 N ATOM 508 CA ASP A 32 3.093 6.927 -11.210 1.00 14.01 C ATOM 509 C ASP A 32 3.272 8.217 -10.487 1.00 14.04 C ATOM 510 O ASP A 32 3.914 9.092 -11.067 1.00 13.39 O ATOM 511 CB ASP A 32 1.644 6.858 -11.721 1.00 18.01 C ATOM 512 CG ASP A 32 1.213 7.814 -12.824 1.00 24.33 C ATOM 513 OD1 ASP A 32 1.842 8.026 -13.895 1.00 25.17 O ATOM 514 OD2 ASP A 32 0.074 8.320 -12.638 1.00 26.29 O ATOM 0 H ASP A 32 2.631 5.121 -10.350 1.00 10.93 H new ATOM 0 HA ASP A 32 3.817 6.938 -12.024 1.00 14.01 H new ATOM 0 HB2 ASP A 32 1.466 5.843 -12.075 1.00 18.01 H new ATOM 0 HB3 ASP A 32 0.984 7.018 -10.868 1.00 18.01 H new ATOM 519 N LYS A 33 2.769 8.320 -9.244 1.00 14.22 N ATOM 520 CA LYS A 33 2.985 9.497 -8.460 1.00 14.00 C ATOM 521 C LYS A 33 4.416 9.575 -8.055 1.00 12.37 C ATOM 522 O LYS A 33 5.170 10.505 -8.339 1.00 12.17 O ATOM 523 CB LYS A 33 2.031 9.493 -7.254 1.00 18.62 C ATOM 524 CG LYS A 33 2.055 10.782 -6.429 1.00 24.00 C ATOM 525 CD LYS A 33 1.206 10.736 -5.157 1.00 27.61 C ATOM 526 CE LYS A 33 -0.306 10.742 -5.391 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.814 11.675 -6.421 1.00 30.06 N ATOM 0 H LYS A 33 2.217 7.595 -8.784 1.00 14.22 H new ATOM 0 HA LYS A 33 2.766 10.389 -9.047 1.00 14.00 H new ATOM 0 HB2 LYS A 33 1.015 9.322 -7.610 1.00 18.62 H new ATOM 0 HB3 LYS A 33 2.287 8.655 -6.605 1.00 18.62 H new ATOM 0 HG2 LYS A 33 3.086 11.004 -6.155 1.00 24.00 H new ATOM 0 HG3 LYS A 33 1.707 11.605 -7.054 1.00 24.00 H new ATOM 0 HD2 LYS A 33 1.468 9.840 -4.595 1.00 27.61 H new ATOM 0 HD3 LYS A 33 1.466 11.591 -4.533 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.612 9.732 -5.665 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.796 10.978 -4.446 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -1.851 11.613 -6.464 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.535 12.647 -6.177 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.413 11.422 -7.347 1.00 30.06 H new ATOM 541 N GLU A 34 4.908 8.662 -7.198 1.00 10.11 N ATOM 542 CA GLU A 34 6.162 8.847 -6.535 1.00 10.07 C ATOM 543 C GLU A 34 7.413 8.464 -7.248 1.00 9.32 C ATOM 544 O GLU A 34 8.487 8.964 -6.917 1.00 11.61 O ATOM 545 CB GLU A 34 6.042 8.114 -5.188 1.00 14.77 C ATOM 546 CG GLU A 34 4.983 8.747 -4.284 1.00 18.75 C ATOM 547 CD GLU A 34 5.201 10.178 -3.812 1.00 22.28 C ATOM 548 OE1 GLU A 34 6.238 10.380 -3.127 1.00 25.19 O ATOM 549 OE2 GLU A 34 4.329 11.075 -3.964 1.00 21.95 O ATOM 0 H GLU A 34 4.434 7.790 -6.963 1.00 10.11 H new ATOM 0 HA GLU A 34 6.306 9.924 -6.452 1.00 10.07 H new ATOM 0 HB2 GLU A 34 5.789 7.069 -5.365 1.00 14.77 H new ATOM 0 HB3 GLU A 34 7.007 8.127 -4.681 1.00 14.77 H new ATOM 0 HG2 GLU A 34 4.030 8.712 -4.813 1.00 18.75 H new ATOM 0 HG3 GLU A 34 4.880 8.117 -3.400 1.00 18.75 H new ATOM 556 N GLY A 35 7.306 7.571 -8.248 1.00 7.22 N ATOM 557 CA GLY A 35 8.342 7.201 -9.162 1.00 6.29 C ATOM 558 C GLY A 35 9.109 6.018 -8.682 1.00 6.93 C ATOM 559 O GLY A 35 10.295 5.858 -8.968 1.00 7.41 O ATOM 0 H GLY A 35 6.434 7.073 -8.430 1.00 7.22 H new ATOM 0 HA2 GLY A 35 7.905 6.980 -10.136 1.00 6.29 H new ATOM 0 HA3 GLY A 35 9.021 8.042 -9.301 1.00 6.29 H new ATOM 563 N ILE A 36 8.463 5.148 -7.886 1.00 5.86 N ATOM 564 CA ILE A 36 9.049 4.027 -7.219 1.00 6.07 C ATOM 565 C ILE A 36 8.659 2.774 -7.924 1.00 6.36 C ATOM 566 O ILE A 36 7.463 2.512 -8.037 1.00 6.18 O ATOM 567 CB ILE A 36 8.593 4.018 -5.790 1.00 7.47 C ATOM 568 CG1 ILE A 36 8.685 5.393 -5.107 1.00 8.52 C ATOM 569 CG2 ILE A 36 9.353 2.977 -4.951 1.00 7.36 C ATOM 570 CD1 ILE A 36 8.332 5.291 -3.623 1.00 9.49 C ATOM 0 H ILE A 36 7.465 5.234 -7.696 1.00 5.86 H new ATOM 0 HA ILE A 36 10.137 4.097 -7.233 1.00 6.07 H new ATOM 0 HB ILE A 36 7.539 3.744 -5.835 1.00 7.47 H new ATOM 0 HG12 ILE A 36 9.693 5.792 -5.218 1.00 8.52 H new ATOM 0 HG13 ILE A 36 8.009 6.093 -5.598 1.00 8.52 H new ATOM 0 HG21 ILE A 36 8.992 3.004 -3.923 1.00 7.36 H new ATOM 0 HG22 ILE A 36 9.188 1.983 -5.368 1.00 7.36 H new ATOM 0 HG23 ILE A 36 10.419 3.205 -4.967 1.00 7.36 H new ATOM 0 HD11 ILE A 36 8.405 6.277 -3.163 1.00 9.49 H new ATOM 0 HD12 ILE A 36 7.315 4.915 -3.516 1.00 9.49 H new ATOM 0 HD13 ILE A 36 9.025 4.609 -3.130 1.00 9.49 H new ATOM 582 N PRO A 37 9.527 1.912 -8.365 1.00 8.65 N ATOM 583 CA PRO A 37 9.038 0.781 -9.098 1.00 9.18 C ATOM 584 C PRO A 37 8.405 -0.278 -8.262 1.00 9.85 C ATOM 585 O PRO A 37 8.833 -0.436 -7.119 1.00 8.51 O ATOM 586 CB PRO A 37 10.304 0.202 -9.724 1.00 11.42 C ATOM 587 CG PRO A 37 11.382 0.605 -8.704 1.00 9.27 C ATOM 588 CD PRO A 37 10.971 2.000 -8.207 1.00 8.33 C ATOM 0 HA PRO A 37 8.258 1.096 -9.791 1.00 9.18 H new ATOM 0 HB2 PRO A 37 10.241 -0.879 -9.844 1.00 11.42 H new ATOM 0 HB3 PRO A 37 10.499 0.622 -10.711 1.00 11.42 H new ATOM 0 HG2 PRO A 37 11.430 -0.107 -7.880 1.00 9.27 H new ATOM 0 HG3 PRO A 37 12.370 0.627 -9.164 1.00 9.27 H new ATOM 0 HD2 PRO A 37 11.267 2.177 -7.173 1.00 8.33 H new ATOM 0 HD3 PRO A 37 11.407 2.800 -8.805 1.00 8.33 H new ATOM 596 N PRO A 38 7.405 -1.021 -8.634 1.00 8.71 N ATOM 597 CA PRO A 38 6.650 -1.721 -7.636 1.00 9.08 C ATOM 598 C PRO A 38 7.324 -2.989 -7.239 1.00 9.28 C ATOM 599 O PRO A 38 6.816 -3.646 -6.332 1.00 6.50 O ATOM 600 CB PRO A 38 5.323 -1.985 -8.344 1.00 10.31 C ATOM 601 CG PRO A 38 5.673 -2.113 -9.836 1.00 10.81 C ATOM 602 CD PRO A 38 6.742 -1.012 -9.929 1.00 12.00 C ATOM 0 HA PRO A 38 6.536 -1.163 -6.706 1.00 9.08 H new ATOM 0 HB2 PRO A 38 4.853 -2.895 -7.971 1.00 10.31 H new ATOM 0 HB3 PRO A 38 4.619 -1.171 -8.174 1.00 10.31 H new ATOM 0 HG2 PRO A 38 6.060 -3.099 -10.094 1.00 10.81 H new ATOM 0 HG3 PRO A 38 4.818 -1.926 -10.486 1.00 10.81 H new ATOM 0 HD2 PRO A 38 7.447 -1.214 -10.735 1.00 12.00 H new ATOM 0 HD3 PRO A 38 6.292 -0.041 -10.135 1.00 12.00 H new ATOM 610 N ASP A 39 8.413 -3.437 -7.889 1.00 11.20 N ATOM 611 CA ASP A 39 9.301 -4.499 -7.532 1.00 14.96 C ATOM 612 C ASP A 39 10.050 -4.268 -6.264 1.00 13.99 C ATOM 613 O ASP A 39 10.530 -5.198 -5.619 1.00 13.75 O ATOM 614 CB ASP A 39 10.260 -4.583 -8.731 1.00 24.16 C ATOM 615 CG ASP A 39 11.210 -5.764 -8.600 1.00 31.06 C ATOM 616 OD1 ASP A 39 10.848 -6.963 -8.455 1.00 34.22 O ATOM 617 OD2 ASP A 39 12.417 -5.405 -8.570 1.00 35.55 O ATOM 0 H ASP A 39 8.701 -3.002 -8.766 1.00 11.20 H new ATOM 0 HA ASP A 39 8.750 -5.419 -7.337 1.00 14.96 H new ATOM 0 HB2 ASP A 39 9.685 -4.677 -9.653 1.00 24.16 H new ATOM 0 HB3 ASP A 39 10.834 -3.659 -8.806 1.00 24.16 H new ATOM 622 N GLN A 40 10.117 -2.993 -5.840 1.00 11.60 N ATOM 623 CA GLN A 40 10.833 -2.462 -4.722 1.00 10.76 C ATOM 624 C GLN A 40 9.870 -2.156 -3.627 1.00 8.01 C ATOM 625 O GLN A 40 10.291 -1.862 -2.509 1.00 8.96 O ATOM 626 CB GLN A 40 11.517 -1.153 -5.148 1.00 11.14 C ATOM 627 CG GLN A 40 12.433 -0.353 -4.220 1.00 14.85 C ATOM 628 CD GLN A 40 12.928 0.911 -4.909 1.00 16.11 C ATOM 629 OE1 GLN A 40 12.683 2.005 -4.403 1.00 20.52 O ATOM 630 NE2 GLN A 40 13.643 0.702 -6.047 1.00 18.16 N ATOM 0 H GLN A 40 9.614 -2.258 -6.337 1.00 11.60 H new ATOM 0 HA GLN A 40 11.574 -3.185 -4.380 1.00 10.76 H new ATOM 0 HB2 GLN A 40 12.103 -1.385 -6.037 1.00 11.14 H new ATOM 0 HB3 GLN A 40 10.722 -0.475 -5.458 1.00 11.14 H new ATOM 0 HG2 GLN A 40 11.895 -0.090 -3.309 1.00 14.85 H new ATOM 0 HG3 GLN A 40 13.283 -0.967 -3.922 1.00 14.85 H new ATOM 0 HE21 GLN A 40 13.793 -0.248 -6.388 1.00 18.16 H new ATOM 0 HE22 GLN A 40 14.030 1.495 -6.559 1.00 18.16 H new ATOM 639 N GLN A 41 8.543 -2.189 -3.847 1.00 6.52 N ATOM 640 CA GLN A 41 7.609 -1.764 -2.851 1.00 3.87 C ATOM 641 C GLN A 41 7.199 -2.995 -2.118 1.00 4.79 C ATOM 642 O GLN A 41 6.957 -4.053 -2.696 1.00 6.34 O ATOM 643 CB GLN A 41 6.365 -1.100 -3.465 1.00 4.20 C ATOM 644 CG GLN A 41 6.611 0.252 -4.137 1.00 3.20 C ATOM 645 CD GLN A 41 5.343 0.725 -4.833 1.00 4.89 C ATOM 646 OE1 GLN A 41 4.234 0.260 -4.575 1.00 5.21 O ATOM 647 NE2 GLN A 41 5.493 1.618 -5.848 1.00 7.13 N ATOM 0 H GLN A 41 8.117 -2.511 -4.716 1.00 6.52 H new ATOM 0 HA GLN A 41 8.072 -1.021 -2.202 1.00 3.87 H new ATOM 0 HB2 GLN A 41 5.936 -1.780 -4.201 1.00 4.20 H new ATOM 0 HB3 GLN A 41 5.620 -0.967 -2.681 1.00 4.20 H new ATOM 0 HG2 GLN A 41 6.923 0.986 -3.394 1.00 3.20 H new ATOM 0 HG3 GLN A 41 7.422 0.166 -4.860 1.00 3.20 H new ATOM 0 HE21 GLN A 41 6.415 2.001 -6.058 1.00 7.13 H new ATOM 0 HE22 GLN A 41 4.684 1.905 -6.399 1.00 7.13 H new ATOM 656 N ARG A 42 7.122 -2.888 -0.779 1.00 5.73 N ATOM 657 CA ARG A 42 6.431 -3.801 0.077 1.00 6.97 C ATOM 658 C ARG A 42 5.415 -3.005 0.821 1.00 7.15 C ATOM 659 O ARG A 42 5.662 -1.870 1.226 1.00 7.33 O ATOM 660 CB ARG A 42 7.377 -4.567 1.017 1.00 13.23 C ATOM 661 CG ARG A 42 8.052 -5.757 0.331 1.00 21.27 C ATOM 662 CD ARG A 42 9.199 -6.317 1.174 1.00 26.14 C ATOM 663 NE ARG A 42 9.426 -7.692 0.647 1.00 32.26 N ATOM 664 CZ ARG A 42 9.858 -8.783 1.345 1.00 34.32 C ATOM 665 NH1 ARG A 42 10.301 -8.612 2.624 1.00 35.30 N ATOM 666 NH2 ARG A 42 9.857 -10.057 0.854 1.00 36.39 N ATOM 0 H ARG A 42 7.565 -2.125 -0.268 1.00 5.73 H new ATOM 0 HA ARG A 42 5.950 -4.580 -0.514 1.00 6.97 H new ATOM 0 HB2 ARG A 42 8.142 -3.886 1.391 1.00 13.23 H new ATOM 0 HB3 ARG A 42 6.816 -4.921 1.882 1.00 13.23 H new ATOM 0 HG2 ARG A 42 7.315 -6.540 0.152 1.00 21.27 H new ATOM 0 HG3 ARG A 42 8.432 -5.448 -0.643 1.00 21.27 H new ATOM 0 HD2 ARG A 42 10.095 -5.704 1.078 1.00 26.14 H new ATOM 0 HD3 ARG A 42 8.938 -6.337 2.232 1.00 26.14 H new ATOM 0 HE ARG A 42 9.238 -7.834 -0.345 1.00 32.26 H new ATOM 0 HH11 ARG A 42 10.305 -7.682 3.042 1.00 35.30 H new ATOM 0 HH12 ARG A 42 10.628 -9.415 3.162 1.00 35.30 H new ATOM 0 HH21 ARG A 42 9.518 -10.239 -0.091 1.00 36.39 H new ATOM 0 HH22 ARG A 42 10.195 -10.827 1.432 1.00 36.39 H new ATOM 680 N LEU A 43 4.219 -3.589 1.017 1.00 4.65 N ATOM 681 CA LEU A 43 3.217 -2.883 1.754 1.00 3.51 C ATOM 682 C LEU A 43 2.806 -3.735 2.905 1.00 5.56 C ATOM 683 O LEU A 43 2.700 -4.954 2.773 1.00 4.19 O ATOM 684 CB LEU A 43 1.968 -2.711 0.874 1.00 3.74 C ATOM 685 CG LEU A 43 2.127 -1.552 -0.125 1.00 6.32 C ATOM 686 CD1 LEU A 43 0.814 -1.386 -0.908 1.00 6.41 C ATOM 687 CD2 LEU A 43 2.531 -0.163 0.396 1.00 9.55 C ATOM 0 H LEU A 43 3.951 -4.514 0.680 1.00 4.65 H new ATOM 0 HA LEU A 43 3.609 -1.917 2.073 1.00 3.51 H new ATOM 0 HB2 LEU A 43 1.777 -3.636 0.330 1.00 3.74 H new ATOM 0 HB3 LEU A 43 1.100 -2.528 1.507 1.00 3.74 H new ATOM 0 HG LEU A 43 2.985 -1.871 -0.717 1.00 6.32 H new ATOM 0 HD11 LEU A 43 0.916 -0.566 -1.619 1.00 6.41 H new ATOM 0 HD12 LEU A 43 0.592 -2.308 -1.446 1.00 6.41 H new ATOM 0 HD13 LEU A 43 0.002 -1.166 -0.215 1.00 6.41 H new ATOM 0 HD21 LEU A 43 2.597 0.534 -0.440 1.00 9.55 H new ATOM 0 HD22 LEU A 43 1.783 0.191 1.105 1.00 9.55 H new ATOM 0 HD23 LEU A 43 3.499 -0.228 0.892 1.00 9.55 H new ATOM 699 N ILE A 44 2.676 -3.067 4.065 1.00 4.58 N ATOM 700 CA ILE A 44 2.425 -3.625 5.357 1.00 5.55 C ATOM 701 C ILE A 44 1.133 -3.128 5.909 1.00 5.46 C ATOM 702 O ILE A 44 0.874 -1.928 5.992 1.00 6.04 O ATOM 703 CB ILE A 44 3.471 -3.277 6.374 1.00 6.80 C ATOM 704 CG1 ILE A 44 4.897 -3.545 5.862 1.00 10.31 C ATOM 705 CG2 ILE A 44 3.394 -3.879 7.787 1.00 7.39 C ATOM 706 CD1 ILE A 44 5.140 -4.952 5.317 1.00 13.90 C ATOM 0 H ILE A 44 2.753 -2.051 4.100 1.00 4.58 H new ATOM 0 HA ILE A 44 2.418 -4.703 5.194 1.00 5.55 H new ATOM 0 HB ILE A 44 3.233 -2.220 6.496 1.00 6.80 H new ATOM 0 HG12 ILE A 44 5.125 -2.824 5.077 1.00 10.31 H new ATOM 0 HG13 ILE A 44 5.598 -3.362 6.676 1.00 10.31 H new ATOM 0 HG21 ILE A 44 4.231 -3.516 8.383 1.00 7.39 H new ATOM 0 HG22 ILE A 44 2.457 -3.582 8.258 1.00 7.39 H new ATOM 0 HG23 ILE A 44 3.439 -4.966 7.722 1.00 7.39 H new ATOM 0 HD11 ILE A 44 6.174 -5.039 4.982 1.00 13.90 H new ATOM 0 HD12 ILE A 44 4.950 -5.684 6.102 1.00 13.90 H new ATOM 0 HD13 ILE A 44 4.470 -5.138 4.478 1.00 13.90 H new ATOM 718 N PHE A 45 0.214 -3.982 6.392 1.00 6.75 N ATOM 719 CA PHE A 45 -0.926 -3.531 7.130 1.00 4.70 C ATOM 720 C PHE A 45 -0.995 -4.302 8.403 1.00 6.34 C ATOM 721 O PHE A 45 -0.989 -5.530 8.459 1.00 5.45 O ATOM 722 CB PHE A 45 -2.191 -3.818 6.303 1.00 5.51 C ATOM 723 CG PHE A 45 -3.389 -3.091 6.809 1.00 5.98 C ATOM 724 CD1 PHE A 45 -3.317 -1.726 6.961 1.00 6.86 C ATOM 725 CD2 PHE A 45 -4.545 -3.793 7.057 1.00 5.87 C ATOM 726 CE1 PHE A 45 -4.361 -1.073 7.572 1.00 6.68 C ATOM 727 CE2 PHE A 45 -5.626 -3.125 7.581 1.00 6.64 C ATOM 728 CZ PHE A 45 -5.527 -1.769 7.787 1.00 6.84 C ATOM 0 H PHE A 45 0.261 -4.994 6.270 1.00 6.75 H new ATOM 0 HA PHE A 45 -0.851 -2.464 7.338 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -2.013 -3.537 5.265 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -2.391 -4.889 6.313 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -2.457 -1.178 6.607 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -4.603 -4.850 6.844 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -4.268 -0.041 7.875 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -6.535 -3.654 7.826 1.00 6.64 H new ATOM 0 HZ PHE A 45 -6.398 -1.231 8.131 1.00 6.84 H new ATOM 738 N ALA A 46 -0.865 -3.534 9.500 1.00 6.53 N ATOM 739 CA ALA A 46 -0.611 -3.991 10.831 1.00 7.15 C ATOM 740 C ALA A 46 0.643 -4.781 10.980 1.00 9.00 C ATOM 741 O ALA A 46 1.726 -4.211 11.097 1.00 11.15 O ATOM 742 CB ALA A 46 -1.846 -4.570 11.542 1.00 8.99 C ATOM 0 H ALA A 46 -0.944 -2.518 9.451 1.00 6.53 H new ATOM 0 HA ALA A 46 -0.397 -3.086 11.399 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -1.570 -4.894 12.545 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -2.620 -3.805 11.608 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -2.225 -5.422 10.977 1.00 8.99 H new ATOM 748 N GLY A 47 0.615 -6.120 10.855 1.00 9.35 N ATOM 749 CA GLY A 47 1.810 -6.896 10.978 1.00 11.68 C ATOM 750 C GLY A 47 1.844 -8.038 10.021 1.00 11.14 C ATOM 751 O GLY A 47 2.249 -9.134 10.405 1.00 13.93 O ATOM 0 H GLY A 47 -0.229 -6.662 10.670 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.675 -6.256 10.807 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.891 -7.276 11.996 1.00 11.68 H new ATOM 755 N LYS A 48 1.128 -7.895 8.891 1.00 10.47 N ATOM 756 CA LYS A 48 1.008 -8.811 7.801 1.00 8.82 C ATOM 757 C LYS A 48 1.633 -8.096 6.653 1.00 7.68 C ATOM 758 O LYS A 48 1.533 -6.873 6.558 1.00 6.47 O ATOM 759 CB LYS A 48 -0.462 -9.249 7.692 1.00 9.74 C ATOM 760 CG LYS A 48 -0.699 -10.423 6.740 1.00 14.14 C ATOM 761 CD LYS A 48 -2.187 -10.749 6.594 1.00 16.32 C ATOM 762 CE LYS A 48 -2.610 -11.466 7.878 1.00 20.04 C ATOM 763 NZ LYS A 48 -3.863 -12.194 7.576 1.00 23.92 N ATOM 0 H LYS A 48 0.579 -7.051 8.728 1.00 10.47 H new ATOM 0 HA LYS A 48 1.525 -9.766 7.891 1.00 8.82 H new ATOM 0 HB2 LYS A 48 -0.822 -9.522 8.684 1.00 9.74 H new ATOM 0 HB3 LYS A 48 -1.058 -8.400 7.359 1.00 9.74 H new ATOM 0 HG2 LYS A 48 -0.282 -10.186 5.761 1.00 14.14 H new ATOM 0 HG3 LYS A 48 -0.169 -11.302 7.108 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -2.770 -9.839 6.449 1.00 16.32 H new ATOM 0 HD3 LYS A 48 -2.361 -11.381 5.723 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -1.833 -12.156 8.208 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -2.765 -10.751 8.686 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -4.186 -12.697 8.427 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -4.594 -11.518 7.276 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -3.691 -12.879 6.813 1.00 23.92 H new ATOM 777 N GLN A 49 2.149 -8.773 5.612 1.00 8.89 N ATOM 778 CA GLN A 49 2.617 -8.121 4.429 1.00 7.18 C ATOM 779 C GLN A 49 1.706 -8.550 3.331 1.00 8.23 C ATOM 780 O GLN A 49 1.324 -9.712 3.196 1.00 9.70 O ATOM 781 CB GLN A 49 4.108 -8.276 4.084 1.00 11.67 C ATOM 782 CG GLN A 49 4.688 -7.789 2.755 1.00 15.82 C ATOM 783 CD GLN A 49 6.127 -8.283 2.704 1.00 20.21 C ATOM 784 OE1 GLN A 49 6.904 -8.002 3.615 1.00 23.23 O ATOM 785 NE2 GLN A 49 6.496 -8.904 1.552 1.00 20.67 N ATOM 0 H GLN A 49 2.243 -9.788 5.591 1.00 8.89 H new ATOM 0 HA GLN A 49 2.578 -7.045 4.599 1.00 7.18 H new ATOM 0 HB2 GLN A 49 4.667 -7.774 4.874 1.00 11.67 H new ATOM 0 HB3 GLN A 49 4.338 -9.339 4.157 1.00 11.67 H new ATOM 0 HG2 GLN A 49 4.114 -8.180 1.915 1.00 15.82 H new ATOM 0 HG3 GLN A 49 4.649 -6.702 2.690 1.00 15.82 H new ATOM 0 HE21 GLN A 49 5.798 -9.108 0.836 1.00 20.67 H new ATOM 0 HE22 GLN A 49 7.470 -9.166 1.404 1.00 20.67 H new ATOM 794 N LEU A 50 1.296 -7.606 2.466 1.00 6.51 N ATOM 795 CA LEU A 50 0.226 -7.844 1.548 1.00 7.41 C ATOM 796 C LEU A 50 0.565 -8.574 0.294 1.00 8.27 C ATOM 797 O LEU A 50 1.715 -8.492 -0.134 1.00 8.34 O ATOM 798 CB LEU A 50 -0.446 -6.495 1.237 1.00 7.13 C ATOM 799 CG LEU A 50 -0.836 -5.685 2.484 1.00 7.53 C ATOM 800 CD1 LEU A 50 -1.642 -4.414 2.166 1.00 9.11 C ATOM 801 CD2 LEU A 50 -1.688 -6.399 3.547 1.00 8.14 C ATOM 0 H LEU A 50 1.707 -6.675 2.402 1.00 6.51 H new ATOM 0 HA LEU A 50 -0.449 -8.537 2.051 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.230 -5.897 0.626 1.00 7.13 H new ATOM 0 HB3 LEU A 50 -1.340 -6.676 0.640 1.00 7.13 H new ATOM 0 HG LEU A 50 0.160 -5.486 2.879 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -1.882 -3.894 3.093 1.00 9.11 H new ATOM 0 HD12 LEU A 50 -1.051 -3.760 1.525 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -2.565 -4.687 1.654 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -1.890 -5.715 4.371 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -2.630 -6.721 3.103 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -1.148 -7.269 3.922 1.00 8.14 H new ATOM 813 N GLU A 51 -0.398 -9.272 -0.333 1.00 9.43 N ATOM 814 CA GLU A 51 -0.285 -9.908 -1.609 1.00 11.90 C ATOM 815 C GLU A 51 -0.946 -9.109 -2.679 1.00 11.49 C ATOM 816 O GLU A 51 -1.836 -8.281 -2.493 1.00 9.88 O ATOM 817 CB GLU A 51 -0.896 -11.318 -1.539 1.00 16.56 C ATOM 818 CG GLU A 51 -0.414 -12.302 -0.472 1.00 26.06 C ATOM 819 CD GLU A 51 -1.232 -13.583 -0.563 1.00 29.86 C ATOM 820 OE1 GLU A 51 -1.125 -14.375 -1.536 1.00 33.44 O ATOM 821 OE2 GLU A 51 -2.074 -13.769 0.356 1.00 32.13 O ATOM 0 H GLU A 51 -1.321 -9.401 0.082 1.00 9.43 H new ATOM 0 HA GLU A 51 0.773 -9.982 -1.862 1.00 11.90 H new ATOM 0 HB2 GLU A 51 -1.972 -11.200 -1.411 1.00 16.56 H new ATOM 0 HB3 GLU A 51 -0.740 -11.789 -2.510 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.644 -12.522 -0.615 1.00 26.06 H new ATOM 0 HG3 GLU A 51 -0.517 -11.861 0.519 1.00 26.06 H new ATOM 828 N ASP A 52 -0.512 -9.341 -3.931 1.00 12.71 N ATOM 829 CA ASP A 52 -0.747 -8.421 -5.000 1.00 16.56 C ATOM 830 C ASP A 52 -2.102 -8.369 -5.617 1.00 15.83 C ATOM 831 O ASP A 52 -2.749 -7.325 -5.686 1.00 17.21 O ATOM 832 CB ASP A 52 0.352 -8.605 -6.061 1.00 21.05 C ATOM 833 CG ASP A 52 1.751 -8.171 -5.648 1.00 25.12 C ATOM 834 OD1 ASP A 52 1.876 -7.274 -4.772 1.00 28.37 O ATOM 835 OD2 ASP A 52 2.809 -8.557 -6.213 1.00 25.82 O ATOM 0 H ASP A 52 0.007 -10.175 -4.204 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.705 -7.443 -4.521 1.00 16.56 H new ATOM 0 HB2 ASP A 52 0.387 -9.658 -6.342 1.00 21.05 H new ATOM 0 HB3 ASP A 52 0.067 -8.046 -6.953 1.00 21.05 H new ATOM 840 N GLY A 53 -2.666 -9.509 -6.054 1.00 15.00 N ATOM 841 CA GLY A 53 -4.005 -9.421 -6.546 1.00 11.77 C ATOM 842 C GLY A 53 -5.124 -9.450 -5.563 1.00 11.10 C ATOM 843 O GLY A 53 -6.213 -9.869 -5.952 1.00 11.25 O ATOM 0 H GLY A 53 -2.232 -10.432 -6.069 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -4.089 -8.496 -7.117 1.00 11.77 H new ATOM 0 HA3 GLY A 53 -4.156 -10.243 -7.246 1.00 11.77 H new ATOM 847 N ARG A 54 -4.956 -9.076 -4.282 1.00 8.53 N ATOM 848 CA ARG A 54 -6.001 -9.005 -3.308 1.00 9.05 C ATOM 849 C ARG A 54 -6.630 -7.655 -3.293 1.00 8.96 C ATOM 850 O ARG A 54 -6.038 -6.690 -3.775 1.00 11.60 O ATOM 851 CB ARG A 54 -5.607 -9.352 -1.863 1.00 7.97 C ATOM 852 CG ARG A 54 -4.725 -10.558 -1.535 1.00 9.62 C ATOM 853 CD ARG A 54 -5.363 -11.901 -1.896 1.00 12.20 C ATOM 854 NE ARG A 54 -4.481 -12.983 -1.374 1.00 18.23 N ATOM 855 CZ ARG A 54 -4.814 -14.302 -1.477 1.00 22.08 C ATOM 856 NH1 ARG A 54 -5.857 -14.744 -2.239 1.00 23.38 N ATOM 857 NH2 ARG A 54 -4.003 -15.290 -0.997 1.00 25.50 N ATOM 0 H ARG A 54 -4.046 -8.810 -3.907 1.00 8.53 H new ATOM 0 HA ARG A 54 -6.694 -9.779 -3.638 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -5.106 -8.475 -1.453 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -6.535 -9.479 -1.305 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -3.779 -10.460 -2.067 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -4.494 -10.550 -0.470 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -6.360 -11.979 -1.462 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -5.478 -11.991 -2.976 1.00 12.20 H new ATOM 0 HE ARG A 54 -3.601 -12.729 -0.926 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -6.425 -14.077 -2.762 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -6.068 -15.741 -2.285 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -3.120 -15.051 -0.546 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -4.280 -16.267 -1.089 1.00 25.50 H new ATOM 871 N THR A 55 -7.788 -7.443 -2.642 1.00 9.05 N ATOM 872 CA THR A 55 -8.414 -6.178 -2.412 1.00 9.03 C ATOM 873 C THR A 55 -8.035 -5.479 -1.152 1.00 8.15 C ATOM 874 O THR A 55 -7.488 -6.065 -0.219 1.00 5.91 O ATOM 875 CB THR A 55 -9.906 -6.210 -2.570 1.00 11.15 C ATOM 876 OG1 THR A 55 -10.576 -6.890 -1.519 1.00 11.95 O ATOM 877 CG2 THR A 55 -10.335 -6.836 -3.907 1.00 11.71 C ATOM 0 H THR A 55 -8.326 -8.215 -2.247 1.00 9.05 H new ATOM 0 HA THR A 55 -7.995 -5.572 -3.216 1.00 9.03 H new ATOM 0 HB THR A 55 -10.201 -5.161 -2.541 1.00 11.15 H new ATOM 0 HG1 THR A 55 -10.529 -7.857 -1.672 1.00 11.95 H new ATOM 0 HG21 THR A 55 -11.423 -6.837 -3.976 1.00 11.71 H new ATOM 0 HG22 THR A 55 -9.920 -6.255 -4.731 1.00 11.71 H new ATOM 0 HG23 THR A 55 -9.967 -7.860 -3.964 1.00 11.71 H new ATOM 885 N LEU A 56 -8.378 -4.186 -1.016 1.00 6.91 N ATOM 886 CA LEU A 56 -8.502 -3.494 0.229 1.00 8.29 C ATOM 887 C LEU A 56 -9.417 -4.148 1.207 1.00 8.05 C ATOM 888 O LEU A 56 -9.162 -4.161 2.410 1.00 10.17 O ATOM 889 CB LEU A 56 -8.869 -2.017 0.008 1.00 6.60 C ATOM 890 CG LEU A 56 -7.846 -1.130 -0.721 1.00 7.73 C ATOM 891 CD1 LEU A 56 -6.459 -1.338 -0.089 1.00 8.64 C ATOM 892 CD2 LEU A 56 -7.781 -1.417 -2.231 1.00 9.85 C ATOM 0 H LEU A 56 -8.580 -3.591 -1.819 1.00 6.91 H new ATOM 0 HA LEU A 56 -7.516 -3.542 0.690 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -9.803 -1.983 -0.553 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -9.066 -1.571 0.983 1.00 6.60 H new ATOM 0 HG LEU A 56 -8.167 -0.094 -0.610 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -5.728 -0.712 -0.601 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -6.495 -1.065 0.966 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -6.170 -2.385 -0.183 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -7.043 -0.762 -2.694 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -7.496 -2.457 -2.392 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -8.758 -1.236 -2.678 1.00 9.85 H new ATOM 904 N SER A 57 -10.456 -4.819 0.680 1.00 8.92 N ATOM 905 CA SER A 57 -11.500 -5.272 1.546 1.00 9.00 C ATOM 906 C SER A 57 -11.028 -6.452 2.324 1.00 9.44 C ATOM 907 O SER A 57 -11.394 -6.650 3.482 1.00 10.91 O ATOM 908 CB SER A 57 -12.753 -5.640 0.735 1.00 10.32 C ATOM 909 OG SER A 57 -13.467 -4.485 0.317 1.00 13.59 O ATOM 0 H SER A 57 -10.574 -5.042 -0.308 1.00 8.92 H new ATOM 0 HA SER A 57 -11.761 -4.468 2.234 1.00 9.00 H new ATOM 0 HB2 SER A 57 -12.463 -6.224 -0.138 1.00 10.32 H new ATOM 0 HB3 SER A 57 -13.405 -6.272 1.339 1.00 10.32 H new ATOM 0 HG SER A 57 -12.972 -4.036 -0.400 1.00 13.59 H new ATOM 915 N ASP A 58 -10.319 -7.340 1.605 1.00 9.11 N ATOM 916 CA ASP A 58 -9.754 -8.574 2.055 1.00 7.91 C ATOM 917 C ASP A 58 -8.985 -8.488 3.328 1.00 9.12 C ATOM 918 O ASP A 58 -9.038 -9.493 4.036 1.00 8.61 O ATOM 919 CB ASP A 58 -8.933 -9.232 0.933 1.00 8.41 C ATOM 920 CG ASP A 58 -9.886 -9.659 -0.173 1.00 11.50 C ATOM 921 OD1 ASP A 58 -10.919 -10.321 0.114 1.00 11.70 O ATOM 922 OD2 ASP A 58 -9.653 -9.242 -1.339 1.00 10.05 O ATOM 0 H ASP A 58 -10.124 -7.177 0.617 1.00 9.11 H new ATOM 0 HA ASP A 58 -10.602 -9.213 2.301 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -8.192 -8.533 0.546 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -8.388 -10.094 1.318 1.00 8.41 H new ATOM 927 N TYR A 59 -8.264 -7.400 3.652 1.00 7.97 N ATOM 928 CA TYR A 59 -7.505 -7.217 4.849 1.00 8.45 C ATOM 929 C TYR A 59 -8.271 -6.281 5.720 1.00 10.98 C ATOM 930 O TYR A 59 -7.746 -6.006 6.798 1.00 12.95 O ATOM 931 CB TYR A 59 -6.136 -6.565 4.587 1.00 7.94 C ATOM 932 CG TYR A 59 -5.328 -7.441 3.693 1.00 6.91 C ATOM 933 CD1 TYR A 59 -4.731 -8.551 4.241 1.00 6.98 C ATOM 934 CD2 TYR A 59 -5.000 -7.095 2.403 1.00 4.59 C ATOM 935 CE1 TYR A 59 -3.927 -9.389 3.504 1.00 6.52 C ATOM 936 CE2 TYR A 59 -4.146 -7.917 1.706 1.00 5.39 C ATOM 937 CZ TYR A 59 -3.569 -9.054 2.219 1.00 6.76 C ATOM 938 OH TYR A 59 -2.788 -9.957 1.467 1.00 7.63 O ATOM 0 H TYR A 59 -8.209 -6.592 3.032 1.00 7.97 H new ATOM 0 HA TYR A 59 -7.340 -8.196 5.298 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -6.270 -5.585 4.128 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -5.611 -6.407 5.529 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -4.899 -8.773 5.285 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -5.403 -6.201 1.949 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -3.575 -10.314 3.936 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -3.913 -7.651 0.686 1.00 5.39 H new ATOM 0 HH TYR A 59 -2.983 -10.874 1.752 1.00 7.63 H new ATOM 948 N ASN A 60 -9.442 -5.770 5.303 1.00 12.38 N ATOM 949 CA ASN A 60 -10.381 -4.974 6.031 1.00 13.94 C ATOM 950 C ASN A 60 -9.737 -3.640 6.189 1.00 14.16 C ATOM 951 O ASN A 60 -9.663 -3.034 7.257 1.00 14.26 O ATOM 952 CB ASN A 60 -10.803 -5.499 7.414 1.00 19.23 C ATOM 953 CG ASN A 60 -11.367 -6.903 7.247 1.00 22.65 C ATOM 954 OD1 ASN A 60 -10.919 -7.838 7.909 1.00 25.45 O ATOM 955 ND2 ASN A 60 -12.370 -7.085 6.346 1.00 24.09 N ATOM 0 H ASN A 60 -9.764 -5.935 4.349 1.00 12.38 H new ATOM 0 HA ASN A 60 -11.312 -4.971 5.464 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -9.949 -5.512 8.091 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -11.550 -4.841 7.857 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -12.768 -8.014 6.207 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -12.724 -6.293 5.810 1.00 24.09 H new ATOM 962 N ILE A 61 -9.159 -3.087 5.108 1.00 11.08 N ATOM 963 CA ILE A 61 -8.681 -1.742 5.037 1.00 11.78 C ATOM 964 C ILE A 61 -9.827 -0.841 4.730 1.00 13.74 C ATOM 965 O ILE A 61 -10.325 -0.824 3.605 1.00 14.60 O ATOM 966 CB ILE A 61 -7.645 -1.556 3.968 1.00 11.80 C ATOM 967 CG1 ILE A 61 -6.494 -2.535 4.254 1.00 11.56 C ATOM 968 CG2 ILE A 61 -7.170 -0.110 3.748 1.00 13.29 C ATOM 969 CD1 ILE A 61 -5.678 -2.865 3.005 1.00 11.42 C ATOM 0 H ILE A 61 -9.018 -3.604 4.240 1.00 11.08 H new ATOM 0 HA ILE A 61 -8.224 -1.507 5.998 1.00 11.78 H new ATOM 0 HB ILE A 61 -8.110 -1.784 3.009 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -5.836 -2.106 5.010 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -6.901 -3.456 4.671 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -6.423 -0.089 2.955 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -8.018 0.512 3.464 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -6.731 0.273 4.669 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -4.879 -3.560 3.265 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -6.326 -3.321 2.257 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -5.245 -1.950 2.601 1.00 11.42 H new ATOM 981 N GLN A 62 -10.240 -0.096 5.771 1.00 13.97 N ATOM 982 CA GLN A 62 -11.389 0.740 5.608 1.00 15.52 C ATOM 983 C GLN A 62 -10.991 2.135 5.267 1.00 13.94 C ATOM 984 O GLN A 62 -9.816 2.323 4.955 1.00 12.15 O ATOM 985 CB GLN A 62 -12.151 0.763 6.944 1.00 19.53 C ATOM 986 CG GLN A 62 -12.488 -0.642 7.447 1.00 26.38 C ATOM 987 CD GLN A 62 -13.543 -0.677 8.543 1.00 30.61 C ATOM 988 OE1 GLN A 62 -14.656 -1.028 8.153 1.00 33.23 O ATOM 989 NE2 GLN A 62 -13.356 -0.123 9.771 1.00 32.71 N ATOM 0 H GLN A 62 -9.800 -0.070 6.691 1.00 13.97 H new ATOM 0 HA GLN A 62 -12.006 0.347 4.800 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -11.551 1.280 7.693 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -13.072 1.334 6.824 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -12.834 -1.243 6.606 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -11.577 -1.110 7.820 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -12.421 0.158 10.067 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -14.151 0.011 10.396 1.00 32.71 H new ATOM 998 N LYS A 63 -11.845 3.166 5.146 1.00 11.73 N ATOM 999 CA LYS A 63 -11.385 4.474 4.796 1.00 11.97 C ATOM 1000 C LYS A 63 -10.515 5.081 5.843 1.00 10.41 C ATOM 1001 O LYS A 63 -10.826 4.959 7.027 1.00 9.59 O ATOM 1002 CB LYS A 63 -12.519 5.425 4.377 1.00 13.73 C ATOM 1003 CG LYS A 63 -13.337 5.913 5.574 1.00 16.98 C ATOM 1004 CD LYS A 63 -14.502 6.774 5.082 1.00 20.19 C ATOM 1005 CE LYS A 63 -15.279 7.353 6.266 1.00 23.42 C ATOM 1006 NZ LYS A 63 -14.511 8.457 6.885 1.00 25.97 N ATOM 0 H LYS A 63 -12.852 3.095 5.290 1.00 11.73 H new ATOM 0 HA LYS A 63 -10.763 4.329 3.913 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -12.097 6.283 3.854 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -13.177 4.915 3.673 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -13.714 5.062 6.141 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -12.705 6.490 6.249 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -14.125 7.583 4.457 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -15.168 6.175 4.461 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -16.250 7.718 5.931 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -15.469 6.573 7.003 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -15.106 8.943 7.586 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -13.667 8.072 7.354 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -14.221 9.133 6.150 1.00 25.97 H new ATOM 1020 N GLU A 64 -9.442 5.825 5.521 1.00 10.04 N ATOM 1021 CA GLU A 64 -8.579 6.557 6.395 1.00 10.94 C ATOM 1022 C GLU A 64 -7.552 5.718 7.075 1.00 9.74 C ATOM 1023 O GLU A 64 -6.932 6.087 8.071 1.00 9.42 O ATOM 1024 CB GLU A 64 -9.344 7.584 7.247 1.00 18.31 C ATOM 1025 CG GLU A 64 -8.620 8.790 7.848 1.00 24.16 C ATOM 1026 CD GLU A 64 -9.561 9.882 8.334 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -10.139 10.665 7.534 1.00 31.72 O ATOM 1028 OE2 GLU A 64 -9.780 9.991 9.570 1.00 32.61 O ATOM 0 H GLU A 64 -9.152 5.922 4.548 1.00 10.04 H new ATOM 0 HA GLU A 64 -7.941 7.188 5.777 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -10.156 7.971 6.632 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -9.801 7.039 8.073 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -8.003 8.455 8.682 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -7.946 9.208 7.101 1.00 24.16 H new ATOM 1035 N SER A 65 -7.267 4.540 6.492 1.00 6.85 N ATOM 1036 CA SER A 65 -6.423 3.472 6.931 1.00 6.90 C ATOM 1037 C SER A 65 -4.978 3.715 6.660 1.00 4.72 C ATOM 1038 O SER A 65 -4.737 4.328 5.621 1.00 3.91 O ATOM 1039 CB SER A 65 -6.936 2.116 6.417 1.00 7.28 C ATOM 1040 OG SER A 65 -8.130 1.595 6.983 1.00 10.56 O ATOM 0 H SER A 65 -7.688 4.311 5.592 1.00 6.85 H new ATOM 0 HA SER A 65 -6.484 3.435 8.019 1.00 6.90 H new ATOM 0 HB2 SER A 65 -7.087 2.203 5.341 1.00 7.28 H new ATOM 0 HB3 SER A 65 -6.146 1.381 6.570 1.00 7.28 H new ATOM 0 HG SER A 65 -8.899 1.890 6.452 1.00 10.56 H new ATOM 1046 N THR A 66 -4.045 3.283 7.527 1.00 4.48 N ATOM 1047 CA THR A 66 -2.635 3.517 7.498 1.00 3.80 C ATOM 1048 C THR A 66 -1.824 2.406 6.927 1.00 4.60 C ATOM 1049 O THR A 66 -1.583 1.358 7.524 1.00 5.33 O ATOM 1050 CB THR A 66 -2.139 3.785 8.889 1.00 2.85 C ATOM 1051 OG1 THR A 66 -2.792 4.896 9.485 1.00 2.15 O ATOM 1052 CG2 THR A 66 -0.612 3.965 8.896 1.00 3.40 C ATOM 0 H THR A 66 -4.309 2.711 8.330 1.00 4.48 H new ATOM 0 HA THR A 66 -2.505 4.374 6.837 1.00 3.80 H new ATOM 0 HB THR A 66 -2.384 2.914 9.496 1.00 2.85 H new ATOM 0 HG1 THR A 66 -2.441 5.035 10.389 1.00 2.15 H new ATOM 0 HG21 THR A 66 -0.273 4.158 9.914 1.00 3.40 H new ATOM 0 HG22 THR A 66 -0.137 3.058 8.521 1.00 3.40 H new ATOM 0 HG23 THR A 66 -0.342 4.806 8.258 1.00 3.40 H new ATOM 1060 N LEU A 67 -1.364 2.514 5.668 1.00 4.17 N ATOM 1061 CA LEU A 67 -0.629 1.514 4.958 1.00 3.85 C ATOM 1062 C LEU A 67 0.822 1.849 5.000 1.00 3.80 C ATOM 1063 O LEU A 67 1.259 2.980 4.792 1.00 5.54 O ATOM 1064 CB LEU A 67 -0.987 1.493 3.462 1.00 7.18 C ATOM 1065 CG LEU A 67 -2.228 0.609 3.256 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -3.562 1.203 3.739 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -2.302 0.346 1.743 1.00 8.12 C ATOM 0 H LEU A 67 -1.516 3.355 5.111 1.00 4.17 H new ATOM 0 HA LEU A 67 -0.867 0.559 5.427 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -1.183 2.505 3.108 1.00 7.18 H new ATOM 0 HB3 LEU A 67 -0.150 1.108 2.880 1.00 7.18 H new ATOM 0 HG LEU A 67 -2.105 -0.287 3.864 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -4.367 0.495 3.544 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -3.505 1.402 4.809 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -3.760 2.133 3.207 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -3.167 -0.281 1.524 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -2.397 1.294 1.213 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -1.394 -0.162 1.417 1.00 8.12 H new ATOM 1079 N HIS A 68 1.681 0.879 5.361 1.00 2.94 N ATOM 1080 CA HIS A 68 3.070 1.181 5.516 1.00 4.17 C ATOM 1081 C HIS A 68 3.799 0.720 4.301 1.00 5.32 C ATOM 1082 O HIS A 68 3.518 -0.332 3.728 1.00 7.70 O ATOM 1083 CB HIS A 68 3.802 0.728 6.790 1.00 5.57 C ATOM 1084 CG HIS A 68 3.022 0.855 8.065 1.00 9.95 C ATOM 1085 ND1 HIS A 68 2.983 2.030 8.787 1.00 13.74 N ATOM 1086 CD2 HIS A 68 2.278 -0.035 8.775 1.00 12.79 C ATOM 1087 CE1 HIS A 68 2.198 1.820 9.877 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.745 0.580 9.889 1.00 16.30 N ATOM 0 H HIS A 68 1.423 -0.091 5.542 1.00 2.94 H new ATOM 0 HA HIS A 68 3.078 2.264 5.642 1.00 4.17 H new ATOM 0 HB2 HIS A 68 4.096 -0.314 6.667 1.00 5.57 H new ATOM 0 HB3 HIS A 68 4.719 1.309 6.887 1.00 5.57 H new ATOM 0 HD2 HIS A 68 2.127 -1.070 8.506 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.976 2.564 10.628 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.125 0.161 10.583 1.00 16.30 H new ATOM 1096 N LEU A 69 4.808 1.512 3.895 1.00 5.29 N ATOM 1097 CA LEU A 69 5.492 1.318 2.655 1.00 3.97 C ATOM 1098 C LEU A 69 6.939 1.067 2.907 1.00 5.07 C ATOM 1099 O LEU A 69 7.675 1.971 3.298 1.00 4.34 O ATOM 1100 CB LEU A 69 5.254 2.549 1.764 1.00 6.08 C ATOM 1101 CG LEU A 69 5.840 2.516 0.343 1.00 7.37 C ATOM 1102 CD1 LEU A 69 5.527 1.225 -0.433 1.00 9.96 C ATOM 1103 CD2 LEU A 69 5.408 3.735 -0.489 1.00 6.87 C ATOM 0 H LEU A 69 5.155 2.302 4.439 1.00 5.29 H new ATOM 0 HA LEU A 69 5.107 0.442 2.133 1.00 3.97 H new ATOM 0 HB2 LEU A 69 4.178 2.702 1.681 1.00 6.08 H new ATOM 0 HB3 LEU A 69 5.662 3.420 2.277 1.00 6.08 H new ATOM 0 HG LEU A 69 6.919 2.547 0.494 1.00 7.37 H new ATOM 0 HD11 LEU A 69 5.975 1.279 -1.425 1.00 9.96 H new ATOM 0 HD12 LEU A 69 5.937 0.369 0.104 1.00 9.96 H new ATOM 0 HD13 LEU A 69 4.447 1.110 -0.528 1.00 9.96 H new ATOM 0 HD21 LEU A 69 5.846 3.669 -1.485 1.00 6.87 H new ATOM 0 HD22 LEU A 69 4.321 3.753 -0.571 1.00 6.87 H new ATOM 0 HD23 LEU A 69 5.751 4.648 -0.002 1.00 6.87 H new ATOM 1115 N VAL A 70 7.386 -0.200 2.838 1.00 4.29 N ATOM 1116 CA VAL A 70 8.774 -0.524 2.952 1.00 6.26 C ATOM 1117 C VAL A 70 9.341 -0.652 1.580 1.00 9.22 C ATOM 1118 O VAL A 70 8.935 -1.394 0.687 1.00 9.36 O ATOM 1119 CB VAL A 70 8.996 -1.748 3.790 1.00 8.69 C ATOM 1120 CG1 VAL A 70 10.495 -1.882 4.108 1.00 9.76 C ATOM 1121 CG2 VAL A 70 8.285 -1.448 5.120 1.00 8.54 C ATOM 0 H VAL A 70 6.778 -1.008 2.702 1.00 4.29 H new ATOM 0 HA VAL A 70 9.298 0.276 3.475 1.00 6.26 H new ATOM 0 HB VAL A 70 8.641 -2.649 3.290 1.00 8.69 H new ATOM 0 HG11 VAL A 70 10.660 -2.771 4.717 1.00 9.76 H new ATOM 0 HG12 VAL A 70 11.058 -1.970 3.179 1.00 9.76 H new ATOM 0 HG13 VAL A 70 10.831 -1.001 4.654 1.00 9.76 H new ATOM 0 HG21 VAL A 70 8.400 -2.297 5.794 1.00 8.54 H new ATOM 0 HG22 VAL A 70 8.725 -0.561 5.576 1.00 8.54 H new ATOM 0 HG23 VAL A 70 7.225 -1.272 4.935 1.00 8.54 H new ATOM 1131 N LEU A 71 10.328 0.220 1.306 1.00 12.71 N ATOM 1132 CA LEU A 71 11.058 0.238 0.077 1.00 16.06 C ATOM 1133 C LEU A 71 12.143 -0.770 0.242 1.00 18.09 C ATOM 1134 O LEU A 71 12.776 -0.797 1.297 1.00 19.26 O ATOM 1135 CB LEU A 71 11.708 1.560 -0.368 1.00 17.10 C ATOM 1136 CG LEU A 71 10.818 2.814 -0.352 1.00 19.37 C ATOM 1137 CD1 LEU A 71 11.625 3.931 -1.037 1.00 19.57 C ATOM 1138 CD2 LEU A 71 9.457 2.641 -1.046 1.00 17.51 C ATOM 0 H LEU A 71 10.628 0.939 1.965 1.00 12.71 H new ATOM 0 HA LEU A 71 10.324 0.043 -0.705 1.00 16.06 H new ATOM 0 HB2 LEU A 71 12.569 1.747 0.274 1.00 17.10 H new ATOM 0 HB3 LEU A 71 12.088 1.427 -1.381 1.00 17.10 H new ATOM 0 HG LEU A 71 10.569 3.045 0.684 1.00 19.37 H new ATOM 0 HD11 LEU A 71 11.036 4.848 -1.052 1.00 19.57 H new ATOM 0 HD12 LEU A 71 12.549 4.103 -0.486 1.00 19.57 H new ATOM 0 HD13 LEU A 71 11.862 3.635 -2.059 1.00 19.57 H new ATOM 0 HD21 LEU A 71 8.897 3.574 -0.986 1.00 17.51 H new ATOM 0 HD22 LEU A 71 9.613 2.378 -2.092 1.00 17.51 H new ATOM 0 HD23 LEU A 71 8.895 1.848 -0.552 1.00 17.51 H new ATOM 1150 N ARG A 72 12.312 -1.683 -0.731 1.00 21.47 N ATOM 1151 CA ARG A 72 13.319 -2.696 -0.678 1.00 25.83 C ATOM 1152 C ARG A 72 14.688 -2.109 -0.638 1.00 27.74 C ATOM 1153 O ARG A 72 15.105 -1.457 -1.593 1.00 30.65 O ATOM 1154 CB ARG A 72 13.157 -3.667 -1.860 1.00 28.49 C ATOM 1155 CG ARG A 72 14.313 -4.664 -1.967 1.00 31.79 C ATOM 1156 CD ARG A 72 14.192 -5.469 -3.262 1.00 34.05 C ATOM 1157 NE ARG A 72 14.316 -4.675 -4.517 1.00 35.08 N ATOM 1158 CZ ARG A 72 13.923 -5.076 -5.761 1.00 34.67 C ATOM 1159 NH1 ARG A 72 13.359 -6.298 -5.988 1.00 35.02 N ATOM 1160 NH2 ARG A 72 14.019 -4.178 -6.785 1.00 34.97 N ATOM 0 H ARG A 72 11.737 -1.718 -1.572 1.00 21.47 H new ATOM 0 HA ARG A 72 13.190 -3.257 0.248 1.00 25.83 H new ATOM 0 HB2 ARG A 72 12.220 -4.213 -1.750 1.00 28.49 H new ATOM 0 HB3 ARG A 72 13.087 -3.097 -2.786 1.00 28.49 H new ATOM 0 HG2 ARG A 72 15.265 -4.133 -1.947 1.00 31.79 H new ATOM 0 HG3 ARG A 72 14.305 -5.336 -1.109 1.00 31.79 H new ATOM 0 HD2 ARG A 72 14.960 -6.243 -3.263 1.00 34.05 H new ATOM 0 HD3 ARG A 72 13.228 -5.977 -3.266 1.00 34.05 H new ATOM 0 HE ARG A 72 14.733 -3.747 -4.439 1.00 35.08 H new ATOM 0 HH11 ARG A 72 13.219 -6.947 -5.213 1.00 35.02 H new ATOM 0 HH12 ARG A 72 13.078 -6.562 -6.932 1.00 35.02 H new ATOM 0 HH21 ARG A 72 14.376 -3.239 -6.608 1.00 34.97 H new ATOM 0 HH22 ARG A 72 13.734 -4.446 -7.727 1.00 34.97 H new ATOM 1174 N LEU A 73 15.493 -2.294 0.424 1.00 28.93 N ATOM 1175 CA LEU A 73 16.840 -1.830 0.540 1.00 30.76 C ATOM 1176 C LEU A 73 17.771 -2.734 -0.192 1.00 32.18 C ATOM 1177 O LEU A 73 17.935 -3.896 0.178 1.00 32.31 O ATOM 1178 CB LEU A 73 17.169 -1.781 2.042 1.00 30.53 C ATOM 1179 CG LEU A 73 18.578 -1.332 2.466 1.00 30.16 C ATOM 1180 CD1 LEU A 73 18.958 -0.004 1.789 1.00 29.11 C ATOM 1181 CD2 LEU A 73 18.780 -1.172 3.982 1.00 29.57 C ATOM 0 H LEU A 73 15.182 -2.800 1.253 1.00 28.93 H new ATOM 0 HA LEU A 73 16.954 -0.841 0.096 1.00 30.76 H new ATOM 0 HB2 LEU A 73 16.450 -1.114 2.518 1.00 30.53 H new ATOM 0 HB3 LEU A 73 17.000 -2.777 2.452 1.00 30.53 H new ATOM 0 HG LEU A 73 19.226 -2.146 2.140 1.00 30.16 H new ATOM 0 HD11 LEU A 73 19.958 0.292 2.105 1.00 29.11 H new ATOM 0 HD12 LEU A 73 18.942 -0.130 0.706 1.00 29.11 H new ATOM 0 HD13 LEU A 73 18.244 0.768 2.075 1.00 29.11 H new ATOM 0 HD21 LEU A 73 19.803 -0.853 4.181 1.00 29.57 H new ATOM 0 HD22 LEU A 73 18.086 -0.424 4.365 1.00 29.57 H new ATOM 0 HD23 LEU A 73 18.594 -2.126 4.476 1.00 29.57 H new ATOM 1193 N ARG A 74 18.518 -2.142 -1.141 1.00 33.82 N ATOM 1194 CA ARG A 74 19.737 -2.632 -1.704 1.00 35.33 C ATOM 1195 C ARG A 74 20.938 -1.852 -1.290 1.00 36.22 C ATOM 1196 O ARG A 74 21.862 -2.464 -0.757 1.00 36.70 O ATOM 1197 CB ARG A 74 19.611 -2.744 -3.232 1.00 36.91 C ATOM 1198 CG ARG A 74 18.668 -3.902 -3.567 1.00 38.62 C ATOM 1199 CD ARG A 74 18.331 -4.024 -5.055 1.00 39.75 C ATOM 1200 NE ARG A 74 17.677 -5.351 -5.231 1.00 41.13 N ATOM 1201 CZ ARG A 74 17.355 -5.798 -6.480 1.00 41.91 C ATOM 1202 NH1 ARG A 74 17.556 -5.059 -7.610 1.00 42.75 N ATOM 1203 NH2 ARG A 74 16.641 -6.949 -6.648 1.00 41.93 N ATOM 0 H ARG A 74 18.245 -1.247 -1.547 1.00 33.82 H new ATOM 0 HA ARG A 74 19.900 -3.630 -1.298 1.00 35.33 H new ATOM 0 HB2 ARG A 74 19.227 -1.813 -3.648 1.00 36.91 H new ATOM 0 HB3 ARG A 74 20.590 -2.913 -3.680 1.00 36.91 H new ATOM 0 HG2 ARG A 74 19.121 -4.834 -3.231 1.00 38.62 H new ATOM 0 HG3 ARG A 74 17.742 -3.777 -3.005 1.00 38.62 H new ATOM 0 HD2 ARG A 74 17.667 -3.219 -5.370 1.00 39.75 H new ATOM 0 HD3 ARG A 74 19.232 -3.951 -5.664 1.00 39.75 H new ATOM 0 HE ARG A 74 17.469 -5.927 -4.416 1.00 41.13 H new ATOM 0 HH11 ARG A 74 17.964 -4.127 -7.544 1.00 42.75 H new ATOM 0 HH12 ARG A 74 17.298 -5.439 -8.521 1.00 42.75 H new ATOM 0 HH21 ARG A 74 16.341 -7.487 -5.835 1.00 41.93 H new ATOM 0 HH22 ARG A 74 16.407 -7.272 -7.587 1.00 41.93 H new ATOM 1217 N GLY A 75 20.892 -0.529 -1.525 1.00 36.31 N ATOM 1218 CA GLY A 75 21.918 0.373 -1.100 1.00 36.07 C ATOM 1219 C GLY A 75 21.392 1.766 -1.149 1.00 36.16 C ATOM 1220 O GLY A 75 21.320 2.541 -0.197 1.00 36.26 O ATOM 0 H GLY A 75 20.125 -0.075 -2.021 1.00 36.31 H new ATOM 0 HA2 GLY A 75 22.239 0.128 -0.088 1.00 36.07 H new ATOM 0 HA3 GLY A 75 22.793 0.278 -1.744 1.00 36.07 H new ATOM 1224 N GLY A 76 20.872 2.058 -2.355 1.00 36.05 N ATOM 1225 CA GLY A 76 20.498 3.408 -2.641 1.00 36.19 C ATOM 1226 C GLY A 76 19.536 3.355 -3.819 1.00 36.20 C ATOM 1227 O GLY A 76 19.547 2.306 -4.517 1.00 36.13 O ATOM 1228 OXT GLY A 76 18.807 4.329 -4.147 1.00 36.27 O ATOM 0 H GLY A 76 20.715 1.387 -3.107 1.00 36.05 H new ATOM 0 HA2 GLY A 76 20.024 3.870 -1.775 1.00 36.19 H new ATOM 0 HA3 GLY A 76 21.374 4.009 -2.884 1.00 36.19 H new TER 1232 GLY A 76