USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=20 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 55 THR OG1 : rot 124:sc= 0.289 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.272 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.313 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.471 K(o=0.78,f=-3.1!) USER MOD Single : A 1 MET CE :methyl 151:sc= -0.113 (180deg=-0.3) USER MOD Single : A 1 MET N :NH3+ -170:sc= 2.09 (180deg=1.77) USER MOD Single : A 2 GLN :FLIP amide:sc= -0.298 F(o=-3!,f=-0.3) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -164:sc= 1.2 (180deg=0.443) USER MOD Single : A 12 THR OG1 : rot 7:sc= 0.306 USER MOD Single : A 14 THR OG1 : rot -80:sc= 0.125 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -179:sc= 1.59 (180deg=1.53) USER MOD Single : A 29 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.044) USER MOD Single : A 31 GLN : amide:sc=-0.00855 K(o=-0.0086,f=-1.6!) USER MOD Single : A 33 LYS NZ :NH3+ -168:sc= -0.049 (180deg=-0.235) USER MOD Single : A 40 GLN : amide:sc= -0.117 K(o=-0.12,f=-0.67) USER MOD Single : A 41 GLN : amide:sc= 0.43 K(o=0.43,f=-3!) USER MOD Single : A 48 LYS NZ :NH3+ -165:sc= -0.0135 (180deg=-0.328) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 59 TYR OH : rot 80:sc= 0.277 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.0036) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -131:sc= 0.0131 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.395 K(o=0.39,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.368 -7.055 -5.131 1.00 9.67 N ATOM 2 CA MET A 1 11.421 -7.437 -3.728 1.00 10.38 C ATOM 3 C MET A 1 9.998 -7.809 -3.104 1.00 9.62 C ATOM 4 O MET A 1 8.954 -7.492 -3.622 1.00 9.62 O ATOM 5 CB MET A 1 12.099 -6.255 -2.909 1.00 13.77 C ATOM 6 CG MET A 1 11.254 -4.988 -2.821 1.00 16.29 C ATOM 7 SD MET A 1 12.069 -3.794 -1.727 1.00 17.17 S ATOM 8 CE MET A 1 10.721 -2.591 -1.457 1.00 16.11 C ATOM 0 H1 MET A 1 12.334 -6.993 -5.511 1.00 9.67 H new ATOM 0 H2 MET A 1 10.831 -7.768 -5.665 1.00 9.67 H new ATOM 0 H3 MET A 1 10.900 -6.130 -5.222 1.00 9.67 H new ATOM 0 HA MET A 1 12.012 -8.350 -3.659 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.315 -6.605 -1.899 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.055 -6.009 -3.372 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.121 -4.557 -3.813 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.260 -5.226 -2.441 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.841 -2.123 -0.480 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.756 -1.826 -2.232 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.761 -3.105 -1.498 1.00 16.11 H new ATOM 20 N GLN A 2 10.073 -8.408 -1.898 1.00 9.27 N ATOM 21 CA GLN A 2 8.898 -8.808 -1.105 1.00 9.07 C ATOM 22 C GLN A 2 8.414 -7.731 -0.084 1.00 8.72 C ATOM 23 O GLN A 2 9.203 -7.202 0.694 1.00 8.22 O ATOM 24 CB GLN A 2 9.231 -10.080 -0.318 1.00 14.46 C ATOM 25 CG GLN A 2 8.030 -10.752 0.342 1.00 17.01 C ATOM 26 CD GLN A 2 8.401 -12.024 1.034 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.494 -13.030 0.836 1.00 21.89 O flip ATOM 28 NE2 GLN A 2 9.451 -12.167 1.592 1.00 19.49 N flip ATOM 0 H GLN A 2 10.960 -8.629 -1.445 1.00 9.27 H new ATOM 0 HA GLN A 2 8.093 -8.958 -1.824 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.706 -10.794 -0.991 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.962 -9.834 0.452 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.583 -10.066 1.062 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.272 -10.960 -0.413 1.00 17.01 H new ATOM 0 HE21 GLN A 2 10.081 -11.373 1.705 1.00 19.49 H new ATOM 0 HE22 GLN A 2 9.716 -13.083 1.954 1.00 19.49 H new ATOM 37 N ILE A 3 7.108 -7.447 -0.043 1.00 5.87 N ATOM 38 CA ILE A 3 6.471 -6.563 0.922 1.00 5.07 C ATOM 39 C ILE A 3 5.141 -7.190 1.285 1.00 4.01 C ATOM 40 O ILE A 3 4.623 -7.974 0.540 1.00 4.61 O ATOM 41 CB ILE A 3 6.249 -5.111 0.534 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.288 -5.072 -0.729 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.624 -4.438 0.341 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.763 -3.695 -1.042 1.00 10.83 C ATOM 0 H ILE A 3 6.446 -7.845 -0.709 1.00 5.87 H new ATOM 0 HA ILE A 3 7.182 -6.483 1.744 1.00 5.07 H new ATOM 0 HB ILE A 3 5.745 -4.534 1.310 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.826 -5.453 -1.597 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.446 -5.743 -0.556 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.482 -3.394 0.062 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.189 -4.491 1.272 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.174 -4.953 -0.447 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.114 -3.743 -1.916 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.197 -3.319 -0.190 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.598 -3.025 -1.247 1.00 10.83 H new ATOM 56 N PHE A 4 4.535 -6.844 2.455 1.00 4.55 N ATOM 57 CA PHE A 4 3.243 -7.431 2.923 1.00 4.68 C ATOM 58 C PHE A 4 2.236 -6.342 2.999 1.00 5.30 C ATOM 59 O PHE A 4 2.574 -5.276 3.502 1.00 5.58 O ATOM 60 CB PHE A 4 3.300 -8.102 4.310 1.00 4.83 C ATOM 61 CG PHE A 4 4.291 -9.304 4.333 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.915 -10.449 3.628 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.598 -9.234 4.904 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.717 -11.556 3.662 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.412 -10.332 4.855 1.00 10.61 C ATOM 66 CZ PHE A 4 5.997 -11.489 4.273 1.00 8.90 C ATOM 0 H PHE A 4 4.924 -6.155 3.098 1.00 4.55 H new ATOM 0 HA PHE A 4 2.991 -8.210 2.204 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.603 -7.368 5.057 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.304 -8.447 4.588 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.997 -10.460 3.060 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.941 -8.322 5.370 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.376 -12.482 3.224 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.401 -10.279 5.286 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.641 -12.356 4.276 1.00 8.90 H new ATOM 76 N VAL A 5 1.007 -6.598 2.574 1.00 4.44 N ATOM 77 CA VAL A 5 -0.094 -5.656 2.814 1.00 3.87 C ATOM 78 C VAL A 5 -1.067 -6.385 3.741 1.00 4.93 C ATOM 79 O VAL A 5 -1.374 -7.537 3.445 1.00 6.84 O ATOM 80 CB VAL A 5 -0.822 -5.206 1.542 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.924 -4.187 1.848 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.303 -4.706 0.625 1.00 9.13 C ATOM 0 H VAL A 5 0.741 -7.441 2.065 1.00 4.44 H new ATOM 0 HA VAL A 5 0.308 -4.739 3.244 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.379 -6.002 1.049 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.416 -3.893 0.921 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.656 -4.634 2.521 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.486 -3.308 2.320 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.122 -4.361 -0.317 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.829 -3.883 1.109 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.003 -5.519 0.431 1.00 9.13 H new ATOM 92 N LYS A 6 -1.502 -5.812 4.834 1.00 6.04 N ATOM 93 CA LYS A 6 -2.285 -6.551 5.802 1.00 6.12 C ATOM 94 C LYS A 6 -3.521 -5.755 6.181 1.00 6.57 C ATOM 95 O LYS A 6 -3.480 -4.587 6.490 1.00 5.76 O ATOM 96 CB LYS A 6 -1.397 -6.648 7.026 1.00 7.45 C ATOM 97 CG LYS A 6 -2.047 -7.511 8.149 1.00 11.12 C ATOM 98 CD LYS A 6 -0.990 -7.910 9.253 1.00 14.54 C ATOM 99 CE LYS A 6 -1.483 -8.758 10.383 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.323 -9.381 11.152 1.00 20.55 N ATOM 0 H LYS A 6 -1.330 -4.837 5.079 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.597 -7.520 5.414 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.437 -7.081 6.745 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.195 -5.647 7.408 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.865 -6.956 8.609 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.479 -8.412 7.714 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.171 -8.438 8.764 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.574 -6.994 9.672 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.087 -8.153 11.059 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.130 -9.545 9.995 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.695 -9.963 11.929 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.238 -9.977 10.511 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.280 -8.628 11.541 1.00 20.55 H new ATOM 114 N THR A 7 -4.737 -6.363 6.147 1.00 7.41 N ATOM 115 CA THR A 7 -5.966 -5.633 6.142 1.00 7.48 C ATOM 116 C THR A 7 -6.521 -5.384 7.567 1.00 8.75 C ATOM 117 O THR A 7 -5.854 -5.640 8.565 1.00 8.58 O ATOM 118 CB THR A 7 -7.031 -6.234 5.253 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.657 -7.390 5.847 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.546 -6.692 3.887 1.00 9.17 C ATOM 0 H THR A 7 -4.858 -7.376 6.123 1.00 7.41 H new ATOM 0 HA THR A 7 -5.704 -4.668 5.709 1.00 7.48 H new ATOM 0 HB THR A 7 -7.726 -5.403 5.134 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.339 -7.742 5.237 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.382 -7.108 3.325 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.131 -5.843 3.345 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.777 -7.455 4.011 1.00 9.17 H new ATOM 128 N LEU A 8 -7.738 -4.833 7.647 1.00 9.84 N ATOM 129 CA LEU A 8 -8.461 -4.635 8.953 1.00 14.15 C ATOM 130 C LEU A 8 -8.734 -5.958 9.671 1.00 17.37 C ATOM 131 O LEU A 8 -8.686 -6.030 10.865 1.00 17.01 O ATOM 132 CB LEU A 8 -9.753 -3.908 8.663 1.00 16.63 C ATOM 133 CG LEU A 8 -10.444 -3.289 9.890 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.843 -1.888 10.139 1.00 19.31 C ATOM 135 CD2 LEU A 8 -11.924 -3.031 9.461 1.00 18.59 C ATOM 0 H LEU A 8 -8.261 -4.509 6.833 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.832 -4.050 9.623 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.552 -3.117 7.941 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.445 -4.604 8.189 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.339 -3.932 10.764 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.323 -1.435 11.007 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.772 -1.979 10.323 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.009 -1.260 9.264 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -12.472 -2.589 10.293 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -11.943 -2.349 8.611 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.391 -3.975 9.179 1.00 18.59 H new ATOM 147 N THR A 9 -8.965 -7.017 8.896 1.00 18.33 N ATOM 148 CA THR A 9 -9.333 -8.248 9.625 1.00 19.24 C ATOM 149 C THR A 9 -8.085 -9.127 9.751 1.00 19.48 C ATOM 150 O THR A 9 -8.175 -10.257 10.170 1.00 23.14 O ATOM 151 CB THR A 9 -10.463 -9.061 9.009 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.370 -9.252 7.579 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.725 -8.295 9.292 1.00 19.70 C ATOM 0 H THR A 9 -8.916 -7.065 7.878 1.00 18.33 H new ATOM 0 HA THR A 9 -9.714 -7.922 10.593 1.00 19.24 H new ATOM 0 HB THR A 9 -10.427 -10.060 9.443 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.133 -9.784 7.270 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.577 -8.830 8.873 1.00 19.70 H new ATOM 0 HG22 THR A 9 -11.855 -8.193 10.369 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.659 -7.306 8.839 1.00 19.70 H new ATOM 161 N GLY A 10 -6.900 -8.603 9.449 1.00 19.43 N ATOM 162 CA GLY A 10 -5.651 -9.255 9.664 1.00 18.74 C ATOM 163 C GLY A 10 -5.205 -10.007 8.418 1.00 17.62 C ATOM 164 O GLY A 10 -4.021 -10.471 8.322 1.00 19.74 O ATOM 0 H GLY A 10 -6.801 -7.677 9.033 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -4.895 -8.519 9.939 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -5.738 -9.949 10.500 1.00 18.74 H new ATOM 168 N LYS A 11 -6.083 -10.172 7.416 1.00 13.56 N ATOM 169 CA LYS A 11 -5.793 -10.813 6.133 1.00 11.91 C ATOM 170 C LYS A 11 -4.532 -10.216 5.446 1.00 10.18 C ATOM 171 O LYS A 11 -4.411 -9.025 5.297 1.00 9.10 O ATOM 172 CB LYS A 11 -6.972 -10.737 5.101 1.00 13.43 C ATOM 173 CG LYS A 11 -6.741 -11.573 3.894 1.00 16.69 C ATOM 174 CD LYS A 11 -7.952 -11.394 2.934 1.00 17.92 C ATOM 175 CE LYS A 11 -7.902 -11.972 1.516 1.00 20.81 C ATOM 176 NZ LYS A 11 -9.145 -11.667 0.790 1.00 21.93 N ATOM 0 H LYS A 11 -7.048 -9.849 7.484 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.626 -11.857 6.400 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.894 -11.057 5.587 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.115 -9.700 4.796 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.817 -11.276 3.398 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.630 -12.621 4.174 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.823 -11.825 3.428 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.135 -10.324 2.841 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.049 -11.558 0.978 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.756 -13.051 1.562 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -9.216 -12.278 -0.048 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.961 -11.836 1.412 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -9.138 -10.671 0.492 1.00 21.93 H new ATOM 190 N THR A 12 -3.595 -11.073 5.116 1.00 9.63 N ATOM 191 CA THR A 12 -2.211 -10.675 4.704 1.00 9.85 C ATOM 192 C THR A 12 -2.070 -11.192 3.303 1.00 11.66 C ATOM 193 O THR A 12 -2.084 -12.415 3.081 1.00 12.33 O ATOM 194 CB THR A 12 -1.115 -11.121 5.622 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.386 -10.953 7.034 1.00 10.91 O ATOM 196 CG2 THR A 12 0.032 -10.155 5.349 1.00 9.63 C ATOM 0 H THR A 12 -3.743 -12.082 5.116 1.00 9.63 H new ATOM 0 HA THR A 12 -2.094 -9.593 4.759 1.00 9.85 H new ATOM 0 HB THR A 12 -0.946 -12.182 5.436 1.00 10.85 H new ATOM 0 HG1 THR A 12 -2.315 -10.666 7.157 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.881 -10.410 5.983 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.326 -10.226 4.302 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.290 -9.137 5.567 1.00 9.63 H new ATOM 204 N ILE A 13 -1.768 -10.296 2.318 1.00 10.42 N ATOM 205 CA ILE A 13 -1.449 -10.621 0.938 1.00 11.84 C ATOM 206 C ILE A 13 -0.123 -10.112 0.708 1.00 10.55 C ATOM 207 O ILE A 13 0.282 -8.995 1.108 1.00 11.92 O ATOM 208 CB ILE A 13 -2.435 -10.163 -0.086 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.885 -8.740 0.101 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.697 -11.057 0.020 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.527 -8.070 -1.096 1.00 16.46 C ATOM 0 H ILE A 13 -1.746 -9.292 2.495 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.500 -11.702 0.811 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.936 -10.232 -1.053 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.594 -8.713 0.928 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -2.022 -8.146 0.402 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.431 -10.739 -0.720 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.423 -12.096 -0.163 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.125 -10.965 1.018 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.807 -7.050 -0.835 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.820 -8.051 -1.925 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.417 -8.626 -1.391 1.00 16.46 H new ATOM 223 N THR A 14 0.763 -10.946 0.099 1.00 9.39 N ATOM 224 CA THR A 14 2.177 -10.647 -0.143 1.00 9.63 C ATOM 225 C THR A 14 2.343 -10.119 -1.545 1.00 11.20 C ATOM 226 O THR A 14 1.801 -10.635 -2.495 1.00 11.63 O ATOM 227 CB THR A 14 3.060 -11.898 -0.046 1.00 10.38 C ATOM 228 OG1 THR A 14 2.674 -12.676 1.046 1.00 16.30 O ATOM 229 CG2 THR A 14 4.556 -11.528 0.193 1.00 11.66 C ATOM 0 H THR A 14 0.492 -11.868 -0.242 1.00 9.39 H new ATOM 0 HA THR A 14 2.479 -9.924 0.615 1.00 9.63 H new ATOM 0 HB THR A 14 2.944 -12.433 -0.989 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.057 -12.301 1.866 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.151 -12.439 0.256 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.916 -10.916 -0.634 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.648 -10.969 1.124 1.00 11.66 H new ATOM 237 N LEU A 15 3.169 -9.092 -1.706 1.00 8.29 N ATOM 238 CA LEU A 15 3.330 -8.367 -2.967 1.00 9.03 C ATOM 239 C LEU A 15 4.820 -8.393 -3.471 1.00 8.59 C ATOM 240 O LEU A 15 5.777 -8.661 -2.740 1.00 7.79 O ATOM 241 CB LEU A 15 2.893 -6.874 -2.874 1.00 11.08 C ATOM 242 CG LEU A 15 1.406 -6.565 -2.614 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.185 -5.106 -2.935 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.314 -7.599 -3.196 1.00 15.27 C ATOM 0 H LEU A 15 3.756 -8.732 -0.954 1.00 8.29 H new ATOM 0 HA LEU A 15 2.679 -8.888 -3.669 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.474 -6.406 -2.079 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.176 -6.386 -3.806 1.00 11.08 H new ATOM 0 HG LEU A 15 1.205 -6.742 -1.558 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.140 -4.850 -2.762 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.820 -4.493 -2.295 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.436 -4.921 -3.979 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.687 -7.255 -2.937 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.409 -7.657 -4.280 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.481 -8.586 -2.764 1.00 15.27 H new ATOM 256 N GLU A 16 4.983 -7.992 -4.764 1.00 11.04 N ATOM 257 CA GLU A 16 6.182 -7.987 -5.513 1.00 11.50 C ATOM 258 C GLU A 16 6.373 -6.610 -6.092 1.00 10.13 C ATOM 259 O GLU A 16 5.614 -6.199 -6.982 1.00 9.83 O ATOM 260 CB GLU A 16 6.178 -9.067 -6.596 1.00 17.22 C ATOM 261 CG GLU A 16 7.353 -9.065 -7.573 1.00 23.33 C ATOM 262 CD GLU A 16 8.751 -9.196 -6.939 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.889 -10.256 -6.224 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.577 -8.229 -6.985 1.00 28.90 O ATOM 0 H GLU A 16 4.195 -7.646 -5.311 1.00 11.04 H new ATOM 0 HA GLU A 16 7.022 -8.225 -4.860 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.145 -10.040 -6.106 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.257 -8.968 -7.171 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.216 -9.885 -8.278 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.321 -8.140 -8.149 1.00 23.33 H new ATOM 271 N VAL A 17 7.397 -5.862 -5.678 1.00 8.99 N ATOM 272 CA VAL A 17 7.564 -4.474 -5.991 1.00 8.85 C ATOM 273 C VAL A 17 9.059 -4.186 -6.219 1.00 8.04 C ATOM 274 O VAL A 17 9.940 -4.955 -5.865 1.00 8.99 O ATOM 275 CB VAL A 17 7.087 -3.593 -4.778 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.502 -3.830 -4.587 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.891 -3.845 -3.499 1.00 10.54 C ATOM 0 H VAL A 17 8.148 -6.234 -5.097 1.00 8.99 H new ATOM 0 HA VAL A 17 6.981 -4.239 -6.881 1.00 8.85 H new ATOM 0 HB VAL A 17 7.273 -2.542 -4.998 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.143 -3.230 -3.751 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.978 -3.536 -5.496 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.314 -4.884 -4.385 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.513 -3.207 -2.700 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.791 -4.890 -3.207 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.942 -3.617 -3.679 1.00 10.54 H new ATOM 287 N GLU A 18 9.428 -3.007 -6.719 1.00 7.29 N ATOM 288 CA GLU A 18 10.749 -2.461 -6.751 1.00 7.08 C ATOM 289 C GLU A 18 10.761 -1.216 -5.867 1.00 6.45 C ATOM 290 O GLU A 18 9.700 -0.621 -5.680 1.00 5.28 O ATOM 291 CB GLU A 18 11.298 -2.061 -8.155 1.00 10.28 C ATOM 292 CG GLU A 18 11.047 -3.199 -9.180 1.00 12.65 C ATOM 293 CD GLU A 18 11.907 -4.423 -8.965 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.091 -4.273 -8.557 1.00 14.33 O ATOM 295 OE2 GLU A 18 11.376 -5.548 -9.341 1.00 18.17 O ATOM 0 H GLU A 18 8.746 -2.375 -7.139 1.00 7.29 H new ATOM 0 HA GLU A 18 11.403 -3.261 -6.404 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.814 -1.145 -8.494 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.366 -1.852 -8.089 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.998 -3.492 -9.132 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.225 -2.815 -10.184 1.00 12.65 H new ATOM 302 N PRO A 19 11.873 -0.858 -5.268 1.00 7.24 N ATOM 303 CA PRO A 19 11.864 0.357 -4.356 1.00 7.07 C ATOM 304 C PRO A 19 11.448 1.617 -5.098 1.00 6.65 C ATOM 305 O PRO A 19 10.980 2.562 -4.460 1.00 6.37 O ATOM 306 CB PRO A 19 13.349 0.559 -4.071 1.00 7.61 C ATOM 307 CG PRO A 19 13.921 -0.858 -4.077 1.00 8.16 C ATOM 308 CD PRO A 19 13.188 -1.485 -5.281 1.00 7.49 C ATOM 0 HA PRO A 19 11.199 0.205 -3.506 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.820 1.183 -4.830 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.508 1.050 -3.111 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.003 -0.862 -4.209 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.711 -1.388 -3.148 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.714 -1.286 -6.215 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.113 -2.568 -5.181 1.00 7.49 H new ATOM 316 N SER A 20 11.751 1.658 -6.404 1.00 6.80 N ATOM 317 CA SER A 20 11.284 2.629 -7.386 1.00 6.28 C ATOM 318 C SER A 20 9.822 2.591 -7.798 1.00 8.45 C ATOM 319 O SER A 20 9.414 3.555 -8.437 1.00 7.26 O ATOM 320 CB SER A 20 12.192 2.583 -8.602 1.00 8.57 C ATOM 321 OG SER A 20 12.112 1.374 -9.332 1.00 11.13 O ATOM 0 H SER A 20 12.371 0.964 -6.823 1.00 6.80 H new ATOM 0 HA SER A 20 11.342 3.582 -6.860 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.940 3.412 -9.263 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.222 2.734 -8.280 1.00 8.57 H new ATOM 0 HG SER A 20 12.720 1.415 -10.100 1.00 11.13 H new ATOM 327 N ASP A 21 9.080 1.506 -7.408 1.00 7.50 N ATOM 328 CA ASP A 21 7.644 1.551 -7.598 1.00 7.70 C ATOM 329 C ASP A 21 6.935 2.573 -6.785 1.00 7.08 C ATOM 330 O ASP A 21 7.307 2.860 -5.663 1.00 8.11 O ATOM 331 CB ASP A 21 7.029 0.123 -7.405 1.00 11.00 C ATOM 332 CG ASP A 21 7.431 -0.836 -8.489 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.810 -0.436 -9.586 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.296 -2.072 -8.220 1.00 18.03 O ATOM 0 H ASP A 21 9.449 0.653 -6.988 1.00 7.50 H new ATOM 0 HA ASP A 21 7.488 1.878 -8.626 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.342 -0.275 -6.440 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.942 0.201 -7.380 1.00 11.00 H new ATOM 339 N THR A 22 5.942 3.261 -7.388 1.00 5.37 N ATOM 340 CA THR A 22 5.004 4.140 -6.671 1.00 6.01 C ATOM 341 C THR A 22 3.990 3.475 -5.769 1.00 8.01 C ATOM 342 O THR A 22 3.608 2.284 -5.890 1.00 8.11 O ATOM 343 CB THR A 22 4.272 5.208 -7.463 1.00 8.92 C ATOM 344 OG1 THR A 22 3.529 4.693 -8.550 1.00 10.22 O ATOM 345 CG2 THR A 22 5.344 6.131 -8.125 1.00 9.65 C ATOM 0 H THR A 22 5.771 3.219 -8.393 1.00 5.37 H new ATOM 0 HA THR A 22 5.764 4.631 -6.064 1.00 6.01 H new ATOM 0 HB THR A 22 3.601 5.706 -6.763 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.081 5.428 -9.018 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.847 6.910 -8.702 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.958 6.590 -7.350 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.977 5.538 -8.785 1.00 9.65 H new ATOM 353 N ILE A 23 3.490 4.283 -4.755 1.00 8.32 N ATOM 354 CA ILE A 23 2.372 3.857 -3.894 1.00 9.92 C ATOM 355 C ILE A 23 1.168 3.560 -4.764 1.00 10.01 C ATOM 356 O ILE A 23 0.373 2.632 -4.569 1.00 8.71 O ATOM 357 CB ILE A 23 2.133 4.819 -2.682 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.504 5.042 -1.867 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.820 4.517 -1.904 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.868 3.875 -1.006 1.00 12.30 C ATOM 0 H ILE A 23 3.854 5.211 -4.539 1.00 8.32 H new ATOM 0 HA ILE A 23 2.621 2.925 -3.387 1.00 9.92 H new ATOM 0 HB ILE A 23 1.893 5.824 -3.030 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.313 5.232 -2.572 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.409 5.931 -1.243 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.717 5.220 -1.078 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.032 4.619 -2.576 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.855 3.500 -1.513 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.801 4.086 -0.483 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.076 3.698 -0.279 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.993 2.989 -1.628 1.00 12.30 H new ATOM 372 N GLU A 24 0.967 4.416 -5.798 1.00 9.54 N ATOM 373 CA GLU A 24 0.055 4.113 -6.849 1.00 11.81 C ATOM 374 C GLU A 24 0.283 2.828 -7.691 1.00 11.14 C ATOM 375 O GLU A 24 -0.627 2.043 -8.007 1.00 10.62 O ATOM 376 CB GLU A 24 0.005 5.403 -7.738 1.00 19.24 C ATOM 377 CG GLU A 24 -1.304 5.524 -8.475 1.00 27.76 C ATOM 378 CD GLU A 24 -1.524 6.901 -9.144 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.541 7.524 -9.638 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.666 7.346 -8.907 1.00 34.80 O ATOM 0 H GLU A 24 1.441 5.314 -5.896 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.895 3.851 -6.382 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.152 6.282 -7.111 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.825 5.382 -8.455 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.352 4.748 -9.239 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.121 5.336 -7.778 1.00 27.76 H new ATOM 387 N ASN A 25 1.539 2.462 -8.045 1.00 9.43 N ATOM 388 CA ASN A 25 1.801 1.122 -8.549 1.00 10.96 C ATOM 389 C ASN A 25 1.481 -0.004 -7.452 1.00 9.68 C ATOM 390 O ASN A 25 0.940 -1.041 -7.801 1.00 9.33 O ATOM 391 CB ASN A 25 3.242 0.808 -9.043 1.00 16.78 C ATOM 392 CG ASN A 25 3.792 1.770 -10.125 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.879 2.290 -9.932 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.055 1.946 -11.199 1.00 24.70 N ATOM 0 H ASN A 25 2.357 3.069 -7.988 1.00 9.43 H new ATOM 0 HA ASN A 25 1.137 1.101 -9.413 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.915 0.828 -8.186 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.260 -0.207 -9.439 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.383 2.555 -11.948 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.155 1.473 -11.283 1.00 24.70 H new ATOM 401 N VAL A 26 1.657 0.299 -6.149 1.00 6.52 N ATOM 402 CA VAL A 26 1.325 -0.659 -5.072 1.00 5.53 C ATOM 403 C VAL A 26 -0.158 -0.915 -4.948 1.00 4.42 C ATOM 404 O VAL A 26 -0.702 -2.025 -4.893 1.00 3.40 O ATOM 405 CB VAL A 26 1.918 -0.357 -3.699 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.442 -1.350 -2.622 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.434 -0.404 -3.858 1.00 8.12 C ATOM 0 H VAL A 26 2.024 1.191 -5.818 1.00 6.52 H new ATOM 0 HA VAL A 26 1.821 -1.568 -5.413 1.00 5.53 H new ATOM 0 HB VAL A 26 1.585 0.623 -3.357 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.893 -1.091 -1.664 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.356 -1.302 -2.537 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.740 -2.361 -2.902 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.907 -0.193 -2.899 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.733 -1.394 -4.201 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.747 0.342 -4.588 1.00 8.12 H new ATOM 417 N LYS A 27 -0.913 0.164 -5.071 1.00 2.64 N ATOM 418 CA LYS A 27 -2.403 0.182 -5.057 1.00 4.14 C ATOM 419 C LYS A 27 -2.944 -0.561 -6.291 1.00 5.58 C ATOM 420 O LYS A 27 -3.954 -1.261 -6.089 1.00 4.11 O ATOM 421 CB LYS A 27 -3.006 1.609 -5.034 1.00 3.97 C ATOM 422 CG LYS A 27 -2.765 2.403 -3.773 1.00 7.45 C ATOM 423 CD LYS A 27 -3.478 3.752 -3.765 1.00 9.02 C ATOM 424 CE LYS A 27 -3.455 4.482 -2.447 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.304 5.695 -2.527 1.00 15.47 N ATOM 0 H LYS A 27 -0.511 1.094 -5.188 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.704 -0.312 -4.133 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.600 2.169 -5.877 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.082 1.531 -5.192 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.097 1.819 -2.915 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.694 2.565 -3.653 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.024 4.390 -4.523 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.516 3.598 -4.059 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.814 3.828 -1.653 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.432 4.760 -2.193 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.270 6.203 -1.620 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.953 6.315 -3.284 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -5.285 5.419 -2.733 1.00 15.47 H new ATOM 439 N ALA A 28 -2.332 -0.457 -7.475 1.00 6.61 N ATOM 440 CA ALA A 28 -2.724 -1.249 -8.685 1.00 7.74 C ATOM 441 C ALA A 28 -2.538 -2.739 -8.438 1.00 9.17 C ATOM 442 O ALA A 28 -3.407 -3.602 -8.654 1.00 11.45 O ATOM 443 CB ALA A 28 -1.923 -0.788 -9.838 1.00 7.68 C ATOM 0 H ALA A 28 -1.548 0.174 -7.640 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.781 -1.091 -8.901 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.200 -1.358 -10.725 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.113 0.271 -10.013 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.864 -0.936 -9.628 1.00 7.68 H new ATOM 449 N LYS A 29 -1.458 -3.154 -7.709 1.00 8.96 N ATOM 450 CA LYS A 29 -1.224 -4.575 -7.384 1.00 7.90 C ATOM 451 C LYS A 29 -2.277 -5.129 -6.423 1.00 6.92 C ATOM 452 O LYS A 29 -2.682 -6.281 -6.456 1.00 6.87 O ATOM 453 CB LYS A 29 0.210 -4.706 -6.870 1.00 10.28 C ATOM 454 CG LYS A 29 1.320 -4.439 -7.922 1.00 14.94 C ATOM 455 CD LYS A 29 2.743 -4.460 -7.343 1.00 19.69 C ATOM 456 CE LYS A 29 3.646 -3.397 -8.061 1.00 22.63 C ATOM 457 NZ LYS A 29 3.779 -3.707 -9.466 1.00 24.98 N ATOM 0 H LYS A 29 -0.747 -2.521 -7.343 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.333 -5.192 -8.276 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.345 -4.013 -6.040 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.345 -5.711 -6.471 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.248 -5.188 -8.710 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.141 -3.469 -8.386 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.709 -4.254 -6.273 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.176 -5.453 -7.463 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.213 -2.404 -7.942 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.630 -3.373 -7.594 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.497 -3.087 -9.892 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.069 -4.700 -9.577 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.867 -3.558 -9.942 1.00 24.98 H new ATOM 471 N ILE A 30 -2.700 -4.218 -5.499 1.00 4.57 N ATOM 472 CA ILE A 30 -3.758 -4.548 -4.612 1.00 5.58 C ATOM 473 C ILE A 30 -5.089 -4.700 -5.294 1.00 7.26 C ATOM 474 O ILE A 30 -5.844 -5.608 -5.001 1.00 9.46 O ATOM 475 CB ILE A 30 -3.801 -3.591 -3.453 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.534 -3.704 -2.589 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.053 -3.768 -2.496 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.268 -2.427 -1.787 1.00 2.00 C ATOM 0 H ILE A 30 -2.310 -3.283 -5.382 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.540 -5.539 -4.215 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.876 -2.611 -3.924 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.636 -4.546 -1.905 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.677 -3.915 -3.229 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.001 -3.037 -1.689 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.970 -3.616 -3.065 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.050 -4.773 -2.075 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.364 -2.553 -1.192 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.138 -1.588 -2.471 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.112 -2.230 -1.127 1.00 2.00 H new ATOM 490 N GLN A 31 -5.463 -3.845 -6.253 1.00 7.06 N ATOM 491 CA GLN A 31 -6.653 -3.873 -7.047 1.00 8.67 C ATOM 492 C GLN A 31 -6.656 -5.125 -7.938 1.00 10.90 C ATOM 493 O GLN A 31 -7.656 -5.745 -8.029 1.00 9.63 O ATOM 494 CB GLN A 31 -6.703 -2.637 -7.900 1.00 9.12 C ATOM 495 CG GLN A 31 -7.901 -2.496 -8.821 1.00 10.76 C ATOM 496 CD GLN A 31 -7.903 -1.134 -9.647 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.796 -0.629 -9.746 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.079 -0.604 -10.034 1.00 14.76 N ATOM 0 H GLN A 31 -4.872 -3.051 -6.499 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.527 -3.903 -6.397 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.674 -1.768 -7.243 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.799 -2.606 -8.509 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.917 -3.335 -9.517 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.815 -2.556 -8.229 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.944 -1.127 -9.897 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.105 0.321 -10.464 1.00 14.76 H new ATOM 507 N ASP A 32 -5.519 -5.547 -8.501 1.00 10.93 N ATOM 508 CA ASP A 32 -5.233 -6.770 -9.137 1.00 14.01 C ATOM 509 C ASP A 32 -5.452 -7.986 -8.292 1.00 14.04 C ATOM 510 O ASP A 32 -5.910 -8.954 -8.744 1.00 13.39 O ATOM 511 CB ASP A 32 -3.757 -6.813 -9.608 1.00 18.01 C ATOM 512 CG ASP A 32 -3.385 -7.916 -10.576 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.851 -7.841 -11.718 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.678 -8.902 -10.257 1.00 26.29 O ATOM 0 H ASP A 32 -4.699 -4.941 -8.504 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.937 -6.803 -9.969 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.520 -5.857 -10.074 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.121 -6.904 -8.727 1.00 18.01 H new ATOM 519 N LYS A 33 -5.157 -7.981 -6.992 1.00 14.22 N ATOM 520 CA LYS A 33 -5.528 -9.151 -6.187 1.00 14.00 C ATOM 521 C LYS A 33 -6.926 -9.061 -5.617 1.00 12.37 C ATOM 522 O LYS A 33 -7.746 -9.919 -5.856 1.00 12.17 O ATOM 523 CB LYS A 33 -4.484 -9.256 -5.131 1.00 18.62 C ATOM 524 CG LYS A 33 -3.180 -9.961 -5.547 1.00 24.00 C ATOM 525 CD LYS A 33 -2.235 -10.217 -4.425 1.00 27.61 C ATOM 526 CE LYS A 33 -0.980 -11.106 -4.799 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.366 -12.373 -5.352 1.00 30.06 N ATOM 0 H LYS A 33 -4.688 -7.226 -6.492 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.562 -10.050 -6.802 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.238 -8.251 -4.788 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.907 -9.789 -4.279 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.430 -10.911 -6.020 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.676 -9.353 -6.299 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.882 -9.260 -4.041 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.779 -10.704 -3.616 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.358 -10.571 -5.517 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.372 -11.269 -3.909 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.538 -13.000 -5.394 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -2.097 -12.805 -4.752 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.743 -12.233 -6.311 1.00 30.06 H new ATOM 541 N GLU A 34 -7.291 -7.981 -4.887 1.00 10.11 N ATOM 542 CA GLU A 34 -8.490 -7.923 -4.059 1.00 10.07 C ATOM 543 C GLU A 34 -9.562 -7.004 -4.580 1.00 9.32 C ATOM 544 O GLU A 34 -10.599 -6.846 -3.989 1.00 11.61 O ATOM 545 CB GLU A 34 -8.082 -7.465 -2.642 1.00 14.77 C ATOM 546 CG GLU A 34 -7.193 -8.523 -1.941 1.00 18.75 C ATOM 547 CD GLU A 34 -7.887 -9.752 -1.507 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.885 -9.591 -0.748 1.00 25.19 O ATOM 549 OE2 GLU A 34 -7.572 -10.902 -1.849 1.00 21.95 O ATOM 0 H GLU A 34 -6.744 -7.120 -4.865 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.922 -8.924 -4.063 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.544 -6.519 -2.704 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.976 -7.285 -2.045 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.388 -8.802 -2.620 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.729 -8.062 -1.069 1.00 18.75 H new ATOM 556 N GLY A 35 -9.330 -6.380 -5.775 1.00 7.22 N ATOM 557 CA GLY A 35 -10.362 -5.743 -6.513 1.00 6.29 C ATOM 558 C GLY A 35 -10.651 -4.340 -6.045 1.00 6.93 C ATOM 559 O GLY A 35 -11.483 -3.702 -6.645 1.00 7.41 O ATOM 0 H GLY A 35 -8.411 -6.328 -6.215 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.083 -5.717 -7.566 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.272 -6.338 -6.439 1.00 6.29 H new ATOM 563 N ILE A 36 -9.974 -3.863 -5.032 1.00 5.86 N ATOM 564 CA ILE A 36 -10.361 -2.638 -4.315 1.00 6.07 C ATOM 565 C ILE A 36 -9.928 -1.402 -5.068 1.00 6.36 C ATOM 566 O ILE A 36 -8.749 -1.380 -5.394 1.00 6.18 O ATOM 567 CB ILE A 36 -9.749 -2.626 -2.902 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.851 -3.935 -2.127 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.394 -1.469 -2.129 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.860 -4.050 -0.892 1.00 9.49 C ATOM 0 H ILE A 36 -9.130 -4.304 -4.666 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.448 -2.630 -4.237 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.674 -2.490 -3.017 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.874 -4.051 -1.768 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.658 -4.762 -2.810 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.982 -1.431 -1.120 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.187 -0.529 -2.641 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.472 -1.623 -2.075 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.002 -5.012 -0.400 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.831 -3.970 -1.242 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.066 -3.247 -0.184 1.00 9.49 H new ATOM 582 N PRO A 37 -10.722 -0.402 -5.363 1.00 8.65 N ATOM 583 CA PRO A 37 -10.293 0.852 -5.983 1.00 9.18 C ATOM 584 C PRO A 37 -9.141 1.560 -5.263 1.00 9.85 C ATOM 585 O PRO A 37 -9.254 1.714 -4.050 1.00 8.51 O ATOM 586 CB PRO A 37 -11.535 1.702 -5.875 1.00 11.42 C ATOM 587 CG PRO A 37 -12.732 0.702 -5.989 1.00 9.27 C ATOM 588 CD PRO A 37 -12.181 -0.500 -5.211 1.00 8.33 C ATOM 0 HA PRO A 37 -9.913 0.676 -6.989 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.562 2.241 -4.928 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.570 2.449 -6.668 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.645 1.098 -5.544 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.964 0.452 -7.024 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.474 -0.461 -4.162 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.559 -1.440 -5.613 1.00 8.33 H new ATOM 596 N PRO A 38 -8.069 1.987 -5.882 1.00 8.71 N ATOM 597 CA PRO A 38 -7.037 2.758 -5.259 1.00 9.08 C ATOM 598 C PRO A 38 -7.448 3.958 -4.462 1.00 9.28 C ATOM 599 O PRO A 38 -6.833 4.247 -3.414 1.00 6.50 O ATOM 600 CB PRO A 38 -6.127 3.225 -6.442 1.00 10.31 C ATOM 601 CG PRO A 38 -6.190 2.020 -7.371 1.00 10.81 C ATOM 602 CD PRO A 38 -7.630 1.584 -7.214 1.00 12.00 C ATOM 0 HA PRO A 38 -6.567 2.121 -4.510 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.506 4.130 -6.918 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.109 3.439 -6.116 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.953 2.285 -8.401 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.491 1.238 -7.074 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.255 2.044 -7.979 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.719 0.505 -7.337 1.00 12.00 H new ATOM 610 N ASP A 39 -8.588 4.667 -4.834 1.00 11.20 N ATOM 611 CA ASP A 39 -9.097 5.774 -4.100 1.00 14.96 C ATOM 612 C ASP A 39 -9.591 5.438 -2.712 1.00 13.99 C ATOM 613 O ASP A 39 -9.506 6.245 -1.757 1.00 13.75 O ATOM 614 CB ASP A 39 -10.154 6.530 -4.993 1.00 24.16 C ATOM 615 CG ASP A 39 -9.513 7.090 -6.222 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.491 7.807 -6.066 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.026 6.819 -7.364 1.00 35.55 O ATOM 0 H ASP A 39 -9.138 4.440 -5.662 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.268 6.449 -3.888 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.954 5.845 -5.275 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.612 7.335 -4.418 1.00 24.16 H new ATOM 622 N GLN A 40 -10.188 4.244 -2.524 1.00 11.60 N ATOM 623 CA GLN A 40 -10.565 3.761 -1.186 1.00 10.76 C ATOM 624 C GLN A 40 -9.357 3.473 -0.222 1.00 8.01 C ATOM 625 O GLN A 40 -9.399 3.716 0.991 1.00 8.96 O ATOM 626 CB GLN A 40 -11.407 2.477 -1.183 1.00 11.14 C ATOM 627 CG GLN A 40 -12.806 2.674 -1.824 1.00 14.85 C ATOM 628 CD GLN A 40 -13.590 1.419 -1.932 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.169 0.285 -1.611 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.811 1.556 -2.504 1.00 18.16 N ATOM 0 H GLN A 40 -10.418 3.600 -3.281 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.149 4.608 -0.826 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -10.872 1.696 -1.723 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.528 2.130 -0.157 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.370 3.395 -1.232 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.684 3.103 -2.818 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.151 2.482 -2.764 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.390 0.733 -2.674 1.00 18.16 H new ATOM 639 N GLN A 41 -8.300 2.836 -0.814 1.00 6.52 N ATOM 640 CA GLN A 41 -7.102 2.436 -0.128 1.00 3.87 C ATOM 641 C GLN A 41 -6.315 3.528 0.497 1.00 4.79 C ATOM 642 O GLN A 41 -5.970 4.476 -0.197 1.00 6.34 O ATOM 643 CB GLN A 41 -6.189 1.610 -1.101 1.00 4.20 C ATOM 644 CG GLN A 41 -6.941 0.517 -1.868 1.00 3.20 C ATOM 645 CD GLN A 41 -5.902 -0.137 -2.794 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.743 -0.211 -2.398 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.383 -0.620 -3.955 1.00 7.13 N ATOM 0 H GLN A 41 -8.291 2.596 -1.805 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.447 1.831 0.710 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.725 2.290 -1.816 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.383 1.151 -0.528 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.371 -0.215 -1.184 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.766 0.939 -2.442 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.369 -0.503 -4.187 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.761 -1.103 -4.603 1.00 7.13 H new ATOM 656 N ARG A 42 -5.964 3.319 1.759 1.00 5.73 N ATOM 657 CA ARG A 42 -5.066 4.086 2.570 1.00 6.97 C ATOM 658 C ARG A 42 -4.049 3.102 3.096 1.00 7.15 C ATOM 659 O ARG A 42 -4.389 2.144 3.765 1.00 7.33 O ATOM 660 CB ARG A 42 -5.888 4.733 3.735 1.00 13.23 C ATOM 661 CG ARG A 42 -6.612 6.014 3.311 1.00 21.27 C ATOM 662 CD ARG A 42 -7.495 6.512 4.443 1.00 26.14 C ATOM 663 NE ARG A 42 -8.043 7.883 4.011 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.094 8.502 4.622 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.884 7.974 5.525 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.473 9.690 4.159 1.00 36.39 N ATOM 0 H ARG A 42 -6.346 2.528 2.278 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.570 4.889 2.024 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.619 4.012 4.101 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.218 4.958 4.565 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.885 6.780 3.042 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.217 5.823 2.424 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.309 5.813 4.634 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.925 6.598 5.368 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.596 8.355 3.225 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.738 7.012 5.831 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.645 8.525 5.922 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.981 10.110 3.370 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.255 10.180 4.593 1.00 36.39 H new ATOM 680 N LEU A 43 -2.760 3.336 2.793 1.00 4.65 N ATOM 681 CA LEU A 43 -1.663 2.514 3.206 1.00 3.51 C ATOM 682 C LEU A 43 -0.825 3.220 4.265 1.00 5.56 C ATOM 683 O LEU A 43 -0.511 4.392 4.171 1.00 4.19 O ATOM 684 CB LEU A 43 -0.743 2.115 2.025 1.00 3.74 C ATOM 685 CG LEU A 43 -1.545 1.148 1.101 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.860 0.958 -0.250 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.800 -0.236 1.750 1.00 6.41 C ATOM 0 H LEU A 43 -2.468 4.137 2.233 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.102 1.606 3.620 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.428 2.999 1.471 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.161 1.630 2.392 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.511 1.629 0.948 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.450 0.278 -0.864 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.775 1.921 -0.754 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.135 0.539 -0.098 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.362 -0.864 1.059 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.846 -0.712 1.979 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.371 -0.107 2.669 1.00 6.41 H new ATOM 699 N ILE A 44 -0.609 2.557 5.375 1.00 4.58 N ATOM 700 CA ILE A 44 -0.119 3.174 6.618 1.00 5.55 C ATOM 701 C ILE A 44 1.172 2.367 6.911 1.00 5.46 C ATOM 702 O ILE A 44 1.123 1.155 6.909 1.00 6.04 O ATOM 703 CB ILE A 44 -1.057 3.200 7.756 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.169 4.100 7.526 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.277 3.531 9.035 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.268 4.047 8.518 1.00 13.90 C ATOM 0 H ILE A 44 -0.767 1.553 5.458 1.00 4.58 H new ATOM 0 HA ILE A 44 0.039 4.244 6.484 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.510 2.215 7.872 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.784 5.119 7.495 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.585 3.886 6.542 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.961 3.553 9.883 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.485 2.770 9.203 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.200 4.505 8.928 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.042 4.763 8.242 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.692 3.043 8.537 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.879 4.296 9.505 1.00 13.90 H new ATOM 718 N PHE A 45 2.252 3.068 7.293 1.00 6.75 N ATOM 719 CA PHE A 45 3.485 2.453 7.668 1.00 4.70 C ATOM 720 C PHE A 45 4.244 3.546 8.429 1.00 6.34 C ATOM 721 O PHE A 45 4.186 4.717 8.105 1.00 5.45 O ATOM 722 CB PHE A 45 4.334 2.003 6.434 1.00 5.51 C ATOM 723 CG PHE A 45 5.829 1.750 6.569 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.185 0.550 7.213 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.750 2.742 6.382 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.521 0.379 7.623 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.115 2.594 6.758 1.00 6.64 C ATOM 728 CZ PHE A 45 8.525 1.349 7.256 1.00 6.84 C ATOM 0 H PHE A 45 2.269 4.087 7.342 1.00 6.75 H new ATOM 0 HA PHE A 45 3.301 1.552 8.253 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.886 1.084 6.055 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.206 2.762 5.663 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.450 -0.222 7.389 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.431 3.671 5.933 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.796 -0.482 8.215 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.812 3.414 6.663 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.575 1.120 7.363 1.00 6.84 H new ATOM 738 N ALA A 46 4.868 3.217 9.618 1.00 6.53 N ATOM 739 CA ALA A 46 5.602 4.128 10.503 1.00 7.15 C ATOM 740 C ALA A 46 4.834 5.261 11.144 1.00 9.00 C ATOM 741 O ALA A 46 5.342 6.358 11.332 1.00 11.15 O ATOM 742 CB ALA A 46 6.978 4.686 9.845 1.00 8.99 C ATOM 0 H ALA A 46 4.857 2.262 9.977 1.00 6.53 H new ATOM 0 HA ALA A 46 5.831 3.458 11.332 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.473 5.354 10.550 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.637 3.849 9.614 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.749 5.230 8.929 1.00 8.99 H new ATOM 748 N GLY A 47 3.563 4.969 11.504 1.00 9.35 N ATOM 749 CA GLY A 47 2.585 5.905 12.095 1.00 11.68 C ATOM 750 C GLY A 47 2.045 6.973 11.163 1.00 11.14 C ATOM 751 O GLY A 47 1.239 7.790 11.577 1.00 13.93 O ATOM 0 H GLY A 47 3.176 4.033 11.384 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.745 5.327 12.480 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.051 6.397 12.949 1.00 11.68 H new ATOM 755 N LYS A 48 2.456 6.945 9.871 1.00 10.47 N ATOM 756 CA LYS A 48 2.078 7.911 8.886 1.00 8.82 C ATOM 757 C LYS A 48 1.628 7.168 7.592 1.00 7.68 C ATOM 758 O LYS A 48 1.805 5.976 7.360 1.00 6.47 O ATOM 759 CB LYS A 48 3.160 8.980 8.580 1.00 9.74 C ATOM 760 CG LYS A 48 4.622 8.442 8.399 1.00 14.14 C ATOM 761 CD LYS A 48 4.851 8.093 6.953 1.00 16.32 C ATOM 762 CE LYS A 48 6.274 7.464 6.757 1.00 20.04 C ATOM 763 NZ LYS A 48 7.289 8.427 7.151 1.00 23.92 N ATOM 0 H LYS A 48 3.074 6.220 9.506 1.00 10.47 H new ATOM 0 HA LYS A 48 1.249 8.482 9.304 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.873 9.510 7.671 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.160 9.711 9.389 1.00 9.74 H new ATOM 0 HG2 LYS A 48 5.341 9.195 8.721 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.778 7.564 9.026 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.088 7.391 6.617 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.755 8.987 6.338 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.367 6.557 7.354 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.416 7.176 5.715 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.216 8.121 6.791 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.055 9.360 6.756 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.324 8.490 8.189 1.00 23.92 H new ATOM 777 N GLN A 49 0.969 7.987 6.765 1.00 8.89 N ATOM 778 CA GLN A 49 0.175 7.513 5.701 1.00 7.18 C ATOM 779 C GLN A 49 0.743 7.849 4.307 1.00 8.23 C ATOM 780 O GLN A 49 1.247 8.928 4.061 1.00 9.70 O ATOM 781 CB GLN A 49 -1.246 7.941 5.875 1.00 11.67 C ATOM 782 CG GLN A 49 -2.299 7.238 4.997 1.00 15.82 C ATOM 783 CD GLN A 49 -3.678 7.914 4.984 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.561 7.593 5.807 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.961 8.778 4.052 1.00 20.67 N ATOM 0 H GLN A 49 0.993 9.004 6.843 1.00 8.89 H new ATOM 0 HA GLN A 49 0.200 6.424 5.743 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.520 7.790 6.919 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.304 9.012 5.682 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.925 7.187 3.975 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.416 6.212 5.345 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.249 9.048 3.374 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.895 9.184 4.000 1.00 20.67 H new ATOM 794 N LEU A 50 0.741 6.792 3.474 1.00 6.51 N ATOM 795 CA LEU A 50 1.668 6.853 2.324 1.00 7.41 C ATOM 796 C LEU A 50 0.977 7.484 1.120 1.00 8.27 C ATOM 797 O LEU A 50 -0.118 7.110 0.739 1.00 8.34 O ATOM 798 CB LEU A 50 2.177 5.422 2.011 1.00 7.13 C ATOM 799 CG LEU A 50 2.807 4.585 3.144 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.325 3.217 2.555 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.865 5.317 4.050 1.00 9.11 C ATOM 0 H LEU A 50 0.165 5.954 3.557 1.00 6.51 H new ATOM 0 HA LEU A 50 2.525 7.480 2.567 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.337 4.854 1.612 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.915 5.503 1.213 1.00 7.13 H new ATOM 0 HG LEU A 50 2.008 4.396 3.861 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.771 2.623 3.353 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.490 2.669 2.118 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.073 3.412 1.786 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.235 4.626 4.808 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.697 5.659 3.434 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.397 6.173 4.536 1.00 9.11 H new ATOM 813 N GLU A 51 1.527 8.579 0.526 1.00 9.43 N ATOM 814 CA GLU A 51 0.968 9.312 -0.651 1.00 11.90 C ATOM 815 C GLU A 51 1.161 8.650 -2.006 1.00 11.49 C ATOM 816 O GLU A 51 2.258 8.108 -2.186 1.00 9.88 O ATOM 817 CB GLU A 51 1.437 10.760 -0.719 1.00 16.56 C ATOM 818 CG GLU A 51 1.135 11.616 0.492 1.00 26.06 C ATOM 819 CD GLU A 51 -0.349 11.764 0.607 1.00 29.86 C ATOM 820 OE1 GLU A 51 -1.027 11.781 -0.454 1.00 33.44 O ATOM 821 OE2 GLU A 51 -0.913 11.911 1.735 1.00 32.13 O ATOM 0 H GLU A 51 2.398 8.990 0.861 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.104 9.279 -0.454 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.515 10.764 -0.882 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.981 11.228 -1.592 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.541 11.156 1.393 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.607 12.593 0.393 1.00 26.06 H new ATOM 828 N ASP A 52 0.209 8.880 -2.918 1.00 12.71 N ATOM 829 CA ASP A 52 0.188 8.187 -4.175 1.00 16.56 C ATOM 830 C ASP A 52 1.367 8.445 -5.046 1.00 15.83 C ATOM 831 O ASP A 52 2.069 7.627 -5.670 1.00 17.21 O ATOM 832 CB ASP A 52 -1.120 8.478 -5.038 1.00 21.05 C ATOM 833 CG ASP A 52 -2.326 8.244 -4.228 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.661 9.101 -3.387 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.969 7.177 -4.358 1.00 25.82 O ATOM 0 H ASP A 52 -0.552 9.547 -2.791 1.00 12.71 H new ATOM 0 HA ASP A 52 0.205 7.143 -3.862 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.107 9.508 -5.395 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.134 7.835 -5.918 1.00 21.05 H new ATOM 840 N GLY A 53 1.741 9.710 -5.138 1.00 15.00 N ATOM 841 CA GLY A 53 2.852 10.240 -5.930 1.00 11.77 C ATOM 842 C GLY A 53 4.199 10.000 -5.398 1.00 11.10 C ATOM 843 O GLY A 53 5.241 10.435 -5.899 1.00 11.25 O ATOM 0 H GLY A 53 1.249 10.446 -4.631 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.797 9.809 -6.930 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.713 11.316 -6.039 1.00 11.77 H new ATOM 847 N ARG A 54 4.372 9.224 -4.312 1.00 8.53 N ATOM 848 CA ARG A 54 5.655 8.801 -3.754 1.00 9.05 C ATOM 849 C ARG A 54 6.008 7.431 -4.271 1.00 8.96 C ATOM 850 O ARG A 54 5.193 6.631 -4.793 1.00 11.60 O ATOM 851 CB ARG A 54 5.535 8.679 -2.237 1.00 7.97 C ATOM 852 CG ARG A 54 5.459 10.070 -1.452 1.00 9.62 C ATOM 853 CD ARG A 54 6.863 10.597 -1.136 1.00 12.20 C ATOM 854 NE ARG A 54 6.728 11.981 -0.590 1.00 18.23 N ATOM 855 CZ ARG A 54 6.961 13.130 -1.277 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.459 13.173 -2.506 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.730 14.285 -0.650 1.00 23.38 N ATOM 0 H ARG A 54 3.580 8.862 -3.781 1.00 8.53 H new ATOM 0 HA ARG A 54 6.411 9.534 -4.035 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.643 8.098 -2.004 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.390 8.115 -1.864 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.918 10.802 -2.052 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.898 9.940 -0.526 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.359 9.949 -0.413 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.479 10.601 -2.035 1.00 12.20 H new ATOM 0 HE ARG A 54 6.436 12.071 0.383 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.692 12.307 -2.993 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.609 14.072 -2.964 1.00 25.50 H new ATOM 0 HH21 ARG A 54 6.390 14.284 0.312 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.893 15.169 -1.133 1.00 23.38 H new ATOM 871 N THR A 55 7.331 7.067 -4.020 1.00 9.05 N ATOM 872 CA THR A 55 7.867 5.731 -4.177 1.00 9.03 C ATOM 873 C THR A 55 8.104 4.980 -2.874 1.00 8.15 C ATOM 874 O THR A 55 8.132 5.575 -1.807 1.00 5.91 O ATOM 875 CB THR A 55 9.192 5.566 -4.993 1.00 11.15 C ATOM 876 OG1 THR A 55 10.293 6.277 -4.544 1.00 11.95 O ATOM 877 CG2 THR A 55 8.882 6.012 -6.389 1.00 11.71 C ATOM 0 H THR A 55 8.029 7.738 -3.700 1.00 9.05 H new ATOM 0 HA THR A 55 7.044 5.309 -4.754 1.00 9.03 H new ATOM 0 HB THR A 55 9.487 4.521 -4.895 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.035 5.659 -4.376 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.775 5.919 -7.008 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.088 5.390 -6.802 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.558 7.053 -6.375 1.00 11.71 H new ATOM 885 N LEU A 56 8.325 3.649 -2.889 1.00 6.91 N ATOM 886 CA LEU A 56 8.867 2.844 -1.789 1.00 8.29 C ATOM 887 C LEU A 56 10.181 3.359 -1.218 1.00 8.05 C ATOM 888 O LEU A 56 10.390 3.237 -0.007 1.00 10.17 O ATOM 889 CB LEU A 56 8.849 1.364 -2.270 1.00 6.60 C ATOM 890 CG LEU A 56 7.351 0.881 -2.436 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.360 -0.509 -3.051 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.553 0.754 -1.098 1.00 8.64 C ATOM 0 H LEU A 56 8.118 3.084 -3.713 1.00 6.91 H new ATOM 0 HA LEU A 56 8.241 2.927 -0.901 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.379 1.272 -3.218 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.369 0.731 -1.551 1.00 6.60 H new ATOM 0 HG LEU A 56 6.865 1.641 -3.048 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.335 -0.859 -3.173 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.850 -0.473 -4.024 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.902 -1.193 -2.397 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.538 0.418 -1.310 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.046 0.032 -0.447 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.518 1.724 -0.602 1.00 8.64 H new ATOM 904 N SER A 57 11.049 3.900 -2.006 1.00 8.92 N ATOM 905 CA SER A 57 12.366 4.289 -1.590 1.00 9.00 C ATOM 906 C SER A 57 12.376 5.778 -1.020 1.00 9.44 C ATOM 907 O SER A 57 13.291 6.174 -0.296 1.00 10.91 O ATOM 908 CB SER A 57 13.408 4.097 -2.780 1.00 10.32 C ATOM 909 OG SER A 57 12.931 4.872 -3.903 1.00 13.59 O ATOM 0 H SER A 57 10.861 4.092 -2.990 1.00 8.92 H new ATOM 0 HA SER A 57 12.676 3.637 -0.773 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.401 4.430 -2.478 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.493 3.044 -3.049 1.00 10.32 H new ATOM 0 HG SER A 57 13.553 4.776 -4.654 1.00 13.59 H new ATOM 915 N ASP A 58 11.297 6.542 -1.341 1.00 9.11 N ATOM 916 CA ASP A 58 11.170 7.857 -0.773 1.00 7.91 C ATOM 917 C ASP A 58 10.750 7.835 0.647 1.00 9.12 C ATOM 918 O ASP A 58 10.868 8.799 1.407 1.00 8.61 O ATOM 919 CB ASP A 58 10.106 8.631 -1.516 1.00 8.41 C ATOM 920 CG ASP A 58 10.527 9.090 -2.822 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.609 9.659 -3.034 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.625 9.087 -3.714 1.00 11.70 O ATOM 0 H ASP A 58 10.544 6.260 -1.968 1.00 9.11 H new ATOM 0 HA ASP A 58 12.156 8.314 -0.852 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.223 8.002 -1.629 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.809 9.491 -0.916 1.00 8.41 H new ATOM 927 N TYR A 59 10.193 6.725 1.067 1.00 7.97 N ATOM 928 CA TYR A 59 9.731 6.538 2.394 1.00 8.45 C ATOM 929 C TYR A 59 10.712 5.556 3.053 1.00 10.98 C ATOM 930 O TYR A 59 10.596 5.251 4.249 1.00 12.95 O ATOM 931 CB TYR A 59 8.328 5.898 2.368 1.00 7.94 C ATOM 932 CG TYR A 59 7.222 6.891 2.214 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.149 8.009 3.059 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.114 6.732 1.343 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.117 8.933 3.046 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.148 7.742 1.193 1.00 6.52 C ATOM 937 CZ TYR A 59 5.125 8.762 2.105 1.00 6.76 C ATOM 938 OH TYR A 59 4.016 9.635 2.044 1.00 7.63 O ATOM 0 H TYR A 59 10.051 5.912 0.467 1.00 7.97 H new ATOM 0 HA TYR A 59 9.675 7.484 2.932 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.279 5.182 1.548 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.176 5.337 3.290 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.951 8.159 3.767 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.010 5.815 0.783 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.091 9.755 3.746 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.441 7.714 0.377 1.00 6.52 H new ATOM 0 HH TYR A 59 4.273 10.458 1.578 1.00 7.63 H new ATOM 948 N ASN A 60 11.724 5.059 2.331 1.00 12.38 N ATOM 949 CA ASN A 60 12.660 4.037 2.817 1.00 13.94 C ATOM 950 C ASN A 60 11.972 2.772 3.329 1.00 14.16 C ATOM 951 O ASN A 60 12.205 2.465 4.478 1.00 14.26 O ATOM 952 CB ASN A 60 13.714 4.609 3.805 1.00 19.23 C ATOM 953 CG ASN A 60 14.421 5.855 3.250 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.328 6.906 3.859 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.189 5.735 2.138 1.00 24.09 N ATOM 0 H ASN A 60 11.919 5.361 1.376 1.00 12.38 H new ATOM 0 HA ASN A 60 13.221 3.713 1.940 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.226 4.861 4.747 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.456 3.841 4.025 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.710 6.539 1.789 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.245 4.840 1.651 1.00 24.09 H new ATOM 962 N ILE A 61 11.095 2.103 2.574 1.00 11.08 N ATOM 963 CA ILE A 61 10.423 0.870 2.875 1.00 11.78 C ATOM 964 C ILE A 61 11.210 -0.194 2.151 1.00 13.74 C ATOM 965 O ILE A 61 11.373 -0.177 0.931 1.00 14.60 O ATOM 966 CB ILE A 61 9.017 0.897 2.301 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.218 1.996 2.989 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.247 -0.421 2.414 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.970 2.392 2.194 1.00 11.42 C ATOM 0 H ILE A 61 10.824 2.457 1.657 1.00 11.08 H new ATOM 0 HA ILE A 61 10.359 0.698 3.949 1.00 11.78 H new ATOM 0 HB ILE A 61 9.138 1.083 1.234 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.922 1.659 3.982 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.852 2.872 3.126 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.256 -0.302 1.977 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.786 -1.204 1.881 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.150 -0.697 3.464 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.434 3.178 2.726 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.266 2.756 1.210 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.321 1.524 2.080 1.00 11.42 H new ATOM 981 N GLN A 62 11.579 -1.215 2.917 1.00 13.97 N ATOM 982 CA GLN A 62 12.551 -2.218 2.457 1.00 15.52 C ATOM 983 C GLN A 62 11.943 -3.538 2.322 1.00 13.94 C ATOM 984 O GLN A 62 10.729 -3.638 2.340 1.00 12.15 O ATOM 985 CB GLN A 62 13.715 -2.204 3.486 1.00 19.53 C ATOM 986 CG GLN A 62 14.316 -0.826 3.698 1.00 26.38 C ATOM 987 CD GLN A 62 15.474 -1.038 4.633 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.539 -1.643 4.312 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.282 -0.532 5.890 1.00 32.71 N ATOM 0 H GLN A 62 11.224 -1.376 3.860 1.00 13.97 H new ATOM 0 HA GLN A 62 12.922 -1.977 1.461 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.351 -2.584 4.440 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.496 -2.885 3.149 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.647 -0.392 2.755 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.585 -0.140 4.126 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.413 -0.049 6.118 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.008 -0.637 6.599 1.00 32.71 H new ATOM 998 N LYS A 63 12.735 -4.633 2.012 1.00 11.73 N ATOM 999 CA LYS A 63 12.150 -5.957 1.837 1.00 11.97 C ATOM 1000 C LYS A 63 11.604 -6.536 3.151 1.00 10.41 C ATOM 1001 O LYS A 63 12.132 -6.251 4.275 1.00 9.59 O ATOM 1002 CB LYS A 63 13.071 -6.962 1.155 1.00 13.73 C ATOM 1003 CG LYS A 63 14.179 -7.534 1.912 1.00 16.98 C ATOM 1004 CD LYS A 63 15.137 -8.486 1.081 1.00 20.19 C ATOM 1005 CE LYS A 63 16.346 -9.086 1.857 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.826 -10.095 2.721 1.00 25.97 N ATOM 0 H LYS A 63 13.747 -4.594 1.888 1.00 11.73 H new ATOM 0 HA LYS A 63 11.314 -5.792 1.158 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.453 -7.788 0.802 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.490 -6.478 0.273 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.773 -6.721 2.329 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.773 -8.096 2.753 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.543 -9.308 0.683 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.520 -7.927 0.227 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.077 -9.508 1.167 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.858 -8.313 2.430 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.604 -10.524 3.261 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.141 -9.670 3.378 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.353 -10.827 2.154 1.00 25.97 H new ATOM 1020 N GLU A 64 10.470 -7.318 3.103 1.00 10.04 N ATOM 1021 CA GLU A 64 9.652 -7.850 4.207 1.00 10.94 C ATOM 1022 C GLU A 64 9.185 -6.790 5.207 1.00 9.74 C ATOM 1023 O GLU A 64 9.250 -6.967 6.434 1.00 9.42 O ATOM 1024 CB GLU A 64 10.461 -8.861 5.098 1.00 18.31 C ATOM 1025 CG GLU A 64 11.012 -10.085 4.330 1.00 24.16 C ATOM 1026 CD GLU A 64 11.650 -11.119 5.274 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.651 -10.758 5.969 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.170 -12.252 5.367 1.00 32.61 O ATOM 0 H GLU A 64 10.089 -7.606 2.202 1.00 10.04 H new ATOM 0 HA GLU A 64 8.808 -8.303 3.687 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.294 -8.333 5.562 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.817 -9.212 5.905 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.204 -10.556 3.770 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.753 -9.753 3.602 1.00 24.16 H new ATOM 1035 N SER A 65 8.573 -5.761 4.617 1.00 6.85 N ATOM 1036 CA SER A 65 7.964 -4.680 5.338 1.00 6.90 C ATOM 1037 C SER A 65 6.484 -4.731 5.185 1.00 4.72 C ATOM 1038 O SER A 65 5.896 -4.928 4.124 1.00 3.91 O ATOM 1039 CB SER A 65 8.362 -3.176 4.870 1.00 7.28 C ATOM 1040 OG SER A 65 8.244 -2.187 5.950 1.00 10.56 O ATOM 0 H SER A 65 8.494 -5.669 3.604 1.00 6.85 H new ATOM 0 HA SER A 65 8.333 -4.837 6.352 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.386 -3.177 4.496 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.720 -2.878 4.041 1.00 7.28 H new ATOM 0 HG SER A 65 7.740 -1.410 5.629 1.00 10.56 H new ATOM 1046 N THR A 66 5.769 -4.606 6.364 1.00 4.48 N ATOM 1047 CA THR A 66 4.282 -4.661 6.331 1.00 3.80 C ATOM 1048 C THR A 66 3.723 -3.304 6.133 1.00 4.60 C ATOM 1049 O THR A 66 3.976 -2.402 6.941 1.00 5.33 O ATOM 1050 CB THR A 66 3.676 -5.323 7.515 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.249 -6.611 7.666 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.158 -5.425 7.498 1.00 3.40 C ATOM 0 H THR A 66 6.182 -4.475 7.288 1.00 4.48 H new ATOM 0 HA THR A 66 4.017 -5.290 5.481 1.00 3.80 H new ATOM 0 HB THR A 66 3.901 -4.680 8.366 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.856 -7.054 8.446 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.817 -5.923 8.405 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.727 -4.425 7.449 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.842 -6.000 6.627 1.00 3.40 H new ATOM 1060 N LEU A 67 2.872 -3.096 5.119 1.00 4.17 N ATOM 1061 CA LEU A 67 2.067 -1.893 4.967 1.00 3.85 C ATOM 1062 C LEU A 67 0.639 -2.309 5.499 1.00 3.80 C ATOM 1063 O LEU A 67 0.149 -3.418 5.374 1.00 5.54 O ATOM 1064 CB LEU A 67 1.977 -1.324 3.535 1.00 7.18 C ATOM 1065 CG LEU A 67 3.320 -1.232 2.812 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.220 -0.593 1.469 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.461 -0.456 3.583 1.00 11.66 C ATOM 0 H LEU A 67 2.727 -3.776 4.372 1.00 4.17 H new ATOM 0 HA LEU A 67 2.531 -1.075 5.519 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.304 -1.950 2.949 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.532 -0.330 3.578 1.00 7.18 H new ATOM 0 HG LEU A 67 3.594 -2.284 2.739 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.207 -0.558 1.008 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.546 -1.174 0.839 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.834 0.421 1.576 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.369 -0.451 2.980 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.143 0.570 3.768 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.659 -0.951 4.534 1.00 11.66 H new ATOM 1079 N HIS A 68 0.029 -1.416 6.253 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.223 -1.651 6.875 1.00 4.17 C ATOM 1081 C HIS A 68 -2.229 -1.052 5.911 1.00 5.32 C ATOM 1082 O HIS A 68 -2.084 0.068 5.487 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.404 -0.954 8.241 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.351 -1.301 9.204 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.867 -0.698 9.227 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.232 -2.380 10.060 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.687 -1.344 10.041 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.109 -2.367 10.537 1.00 16.30 N ATOM 0 H HIS A 68 0.414 -0.491 6.444 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.331 -2.717 7.075 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.413 0.126 8.094 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.374 -1.227 8.657 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.114 0.135 8.692 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.003 -3.091 10.316 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.703 -1.047 10.255 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.323 -1.844 5.564 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.360 -1.353 4.629 1.00 3.97 C ATOM 1098 C LEU A 69 -5.618 -0.989 5.390 1.00 5.07 C ATOM 1099 O LEU A 69 -6.206 -1.818 6.143 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.660 -2.450 3.518 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.723 -2.122 2.462 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.535 -0.865 1.631 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.811 -3.319 1.530 1.00 9.96 C ATOM 0 H LEU A 69 -3.482 -2.787 5.918 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.994 -0.456 4.129 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.726 -2.665 2.999 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.962 -3.367 4.025 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.632 -1.914 3.027 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.363 -0.766 0.929 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.509 0.005 2.288 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.597 -0.931 1.079 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.559 -3.127 0.761 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.842 -3.486 1.060 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.096 -4.204 2.100 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.144 0.186 5.224 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.496 0.457 5.649 1.00 6.26 C ATOM 1117 C VAL A 70 -8.162 1.199 4.475 1.00 9.22 C ATOM 1118 O VAL A 70 -7.554 1.887 3.649 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.564 1.264 6.956 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.733 0.512 8.046 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -7.028 2.662 6.783 1.00 8.54 C ATOM 0 H VAL A 70 -5.663 0.978 4.798 1.00 4.29 H new ATOM 0 HA VAL A 70 -8.018 -0.471 5.883 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.608 1.352 7.256 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.770 1.071 8.981 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.151 -0.483 8.201 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.698 0.423 7.717 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -7.095 3.197 7.730 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.986 2.616 6.465 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.615 3.186 6.028 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.495 0.873 4.376 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.394 1.232 3.305 1.00 16.06 C ATOM 1133 C LEU A 71 -11.395 2.259 3.737 1.00 18.09 C ATOM 1134 O LEU A 71 -12.283 1.997 4.544 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.136 0.065 2.778 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.183 -1.126 2.347 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.038 -2.256 1.739 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.014 -0.718 1.388 1.00 19.57 C ATOM 0 H LEU A 71 -9.961 0.323 5.098 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.757 1.641 2.520 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.833 -0.290 3.538 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.732 0.376 1.920 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.680 -1.469 3.251 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.391 -3.081 1.439 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.755 -2.609 2.480 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.573 -1.879 0.867 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.416 -1.597 1.148 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.426 -0.298 0.470 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.385 0.026 1.877 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.318 3.502 3.214 1.00 21.47 N ATOM 1151 CA ARG A 72 -12.320 4.480 3.344 1.00 25.83 C ATOM 1152 C ARG A 72 -13.445 4.153 2.329 1.00 27.74 C ATOM 1153 O ARG A 72 -13.275 3.823 1.171 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.764 5.906 3.268 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.067 6.230 1.912 1.00 31.79 C ATOM 1156 CD ARG A 72 -11.357 7.645 1.386 1.00 34.05 C ATOM 1157 NE ARG A 72 -12.749 7.654 0.829 1.00 35.08 N ATOM 1158 CZ ARG A 72 -13.679 8.548 1.200 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -13.327 9.656 1.869 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -14.867 8.478 0.604 1.00 35.02 N ATOM 0 H ARG A 72 -10.512 3.823 2.678 1.00 21.47 H new ATOM 0 HA ARG A 72 -12.758 4.450 4.342 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -12.578 6.614 3.427 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.050 6.053 4.079 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -9.990 6.110 2.030 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.388 5.503 1.166 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -11.262 8.377 2.188 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.636 7.921 0.616 1.00 34.05 H new ATOM 0 HE ARG A 72 -13.001 6.949 0.137 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -12.347 9.823 2.099 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -14.039 10.331 2.148 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -15.041 7.765 -0.104 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -15.603 9.138 0.855 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.690 4.266 2.900 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.913 4.077 2.106 1.00 30.76 C ATOM 1176 C LEU A 73 -16.779 5.303 2.449 1.00 32.18 C ATOM 1177 O LEU A 73 -16.549 5.995 3.430 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.716 2.809 2.504 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.009 1.489 2.126 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -16.935 0.321 2.518 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -15.661 1.432 0.642 1.00 29.11 C ATOM 0 H LEU A 73 -14.851 4.482 3.884 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.657 3.965 1.052 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.892 2.823 3.580 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.693 2.840 2.021 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.064 1.421 2.665 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -16.457 -0.624 2.261 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -17.125 0.351 3.591 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -17.879 0.409 1.980 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -15.165 0.487 0.421 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -16.574 1.510 0.051 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -14.995 2.258 0.392 1.00 29.11 H new ATOM 1193 N ARG A 74 -17.762 5.704 1.611 1.00 33.82 N ATOM 1194 CA ARG A 74 -18.599 6.797 1.795 1.00 35.33 C ATOM 1195 C ARG A 74 -19.336 6.824 3.113 1.00 36.22 C ATOM 1196 O ARG A 74 -19.203 7.779 3.842 1.00 36.70 O ATOM 1197 CB ARG A 74 -19.576 6.956 0.604 1.00 36.91 C ATOM 1198 CG ARG A 74 -18.956 7.161 -0.853 1.00 38.62 C ATOM 1199 CD ARG A 74 -18.041 8.392 -0.914 1.00 39.75 C ATOM 1200 NE ARG A 74 -17.834 8.790 -2.321 1.00 41.13 N ATOM 1201 CZ ARG A 74 -16.873 9.607 -2.833 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -16.141 10.386 -2.072 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -16.610 9.550 -4.125 1.00 41.93 N ATOM 0 H ARG A 74 -17.963 5.204 0.745 1.00 33.82 H new ATOM 0 HA ARG A 74 -17.932 7.658 1.832 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -20.213 6.072 0.574 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -20.223 7.808 0.814 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -18.390 6.273 -1.136 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -19.762 7.270 -1.579 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -18.485 9.215 -0.355 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -17.083 8.168 -0.445 1.00 39.75 H new ATOM 0 HE ARG A 74 -18.495 8.404 -2.995 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -16.283 10.392 -1.062 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -15.430 10.985 -2.490 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -17.123 8.902 -4.722 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -15.893 10.154 -4.527 1.00 41.93 H new ATOM 1217 N GLY A 75 -20.065 5.844 3.506 1.00 36.31 N ATOM 1218 CA GLY A 75 -20.633 5.642 4.826 1.00 36.07 C ATOM 1219 C GLY A 75 -19.704 5.179 5.891 1.00 36.16 C ATOM 1220 O GLY A 75 -19.857 5.501 7.050 1.00 36.26 O ATOM 0 H GLY A 75 -20.312 5.086 2.870 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -21.081 6.581 5.151 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -21.441 4.916 4.741 1.00 36.07 H new ATOM 1224 N GLY A 76 -18.654 4.478 5.491 1.00 36.05 N ATOM 1225 CA GLY A 76 -17.534 4.014 6.346 1.00 36.19 C ATOM 1226 C GLY A 76 -16.259 4.832 6.281 1.00 36.20 C ATOM 1227 O GLY A 76 -16.274 6.015 6.745 1.00 0.00 O ATOM 1228 OXT GLY A 76 -15.172 4.349 5.883 1.00 0.00 O ATOM 0 H GLY A 76 -18.539 4.196 4.518 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -17.877 3.996 7.380 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -17.296 2.986 6.071 1.00 36.19 H new TER 1232 GLY A 76