USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 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 22 THR OG1 : rot 180:sc= 0.00226 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.408 K(o=0.41,f=-2.7!) USER MOD Single : A 1 MET CE :methyl 167:sc= 0 (180deg=-0.267) USER MOD Single : A 1 MET N :NH3+ -172:sc= 2.48 (180deg=2.34) USER MOD Single : A 2 GLN : amide:sc= -0.511 X(o=-0.51,f=-0.015) 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+ -126:sc= 0.97 (180deg=-1.64!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -99:sc= 1.27 (180deg=0.318) USER MOD Single : A 29 LYS NZ :NH3+ -162:sc= 1.44 (180deg=1.16) USER MOD Single : A 31 GLN : amide:sc= -0.0826 K(o=-0.083,f=-1.8!) USER MOD Single : A 33 LYS NZ :NH3+ -179:sc= 0.883 (180deg=0.882) USER MOD Single : A 40 GLN : amide:sc= -1.27 K(o=-1.3,f=-2.5) USER MOD Single : A 41 GLN : amide:sc= -0.768 K(o=-0.77,f=-7.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 1.36 K(o=1.4,f=-6.1!) USER MOD Single : A 55 THR OG1 : rot -84:sc= 1.26 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 110:sc= 0.527 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=-0.49) USER MOD Single : A 63 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0261) USER MOD Single : A 65 SER OG : rot 180:sc= 0 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=-0.033) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.358 -7.241 -5.178 1.00 9.67 N ATOM 2 CA MET A 1 11.388 -7.100 -3.729 1.00 10.38 C ATOM 3 C MET A 1 10.068 -7.484 -3.030 1.00 9.62 C ATOM 4 O MET A 1 9.005 -7.100 -3.535 1.00 9.62 O ATOM 5 CB MET A 1 11.792 -5.676 -3.419 1.00 13.77 C ATOM 6 CG MET A 1 12.155 -5.424 -1.900 1.00 16.29 C ATOM 7 SD MET A 1 12.689 -3.723 -1.430 1.00 17.17 S ATOM 8 CE MET A 1 11.076 -2.961 -1.406 1.00 16.11 C ATOM 0 H1 MET A 1 12.314 -7.096 -5.561 1.00 9.67 H new ATOM 0 H2 MET A 1 11.026 -8.195 -5.427 1.00 9.67 H new ATOM 0 H3 MET A 1 10.713 -6.533 -5.582 1.00 9.67 H new ATOM 0 HA MET A 1 12.113 -7.809 -3.328 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.651 -5.411 -4.036 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.978 -5.009 -3.703 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.284 -5.683 -1.298 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.951 -6.116 -1.624 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.141 -1.987 -0.922 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.718 -2.835 -2.428 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.382 -3.595 -0.854 1.00 16.11 H new ATOM 20 N GLN A 2 10.094 -8.249 -1.951 1.00 9.27 N ATOM 21 CA GLN A 2 8.838 -8.698 -1.421 1.00 9.07 C ATOM 22 C GLN A 2 8.356 -7.705 -0.358 1.00 8.72 C ATOM 23 O GLN A 2 9.150 -7.164 0.465 1.00 8.22 O ATOM 24 CB GLN A 2 9.046 -10.102 -0.840 1.00 14.46 C ATOM 25 CG GLN A 2 7.797 -10.904 -0.385 1.00 17.01 C ATOM 26 CD GLN A 2 7.264 -11.789 -1.561 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.266 -13.004 -1.349 1.00 21.89 O ATOM 28 NE2 GLN A 2 6.878 -11.176 -2.650 1.00 19.49 N ATOM 0 H GLN A 2 10.930 -8.555 -1.453 1.00 9.27 H new ATOM 0 HA GLN A 2 8.072 -8.748 -2.195 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.568 -10.697 -1.589 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.713 -10.011 0.017 1.00 14.46 H new ATOM 0 HG2 GLN A 2 8.051 -11.534 0.467 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.017 -10.219 -0.054 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.924 -10.159 -2.706 1.00 19.49 H new ATOM 0 HE22 GLN A 2 6.531 -11.715 -3.443 1.00 19.49 H new ATOM 37 N ILE A 3 7.038 -7.484 -0.279 1.00 5.87 N ATOM 38 CA ILE A 3 6.358 -6.804 0.860 1.00 5.07 C ATOM 39 C ILE A 3 5.149 -7.656 1.245 1.00 4.01 C ATOM 40 O ILE A 3 4.681 -8.425 0.411 1.00 4.61 O ATOM 41 CB ILE A 3 5.828 -5.415 0.553 1.00 6.55 C ATOM 42 CG1 ILE A 3 4.786 -5.390 -0.637 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.046 -4.505 0.301 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.253 -4.022 -0.914 1.00 10.83 C ATOM 0 H ILE A 3 6.391 -7.774 -1.013 1.00 5.87 H new ATOM 0 HA ILE A 3 7.108 -6.696 1.643 1.00 5.07 H new ATOM 0 HB ILE A 3 5.255 -5.047 1.404 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.261 -5.779 -1.538 1.00 4.72 H new ATOM 0 HG13 ILE A 3 3.957 -6.057 -0.401 1.00 4.72 H new ATOM 0 HG21 ILE A 3 6.705 -3.494 0.076 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.676 -4.486 1.190 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.620 -4.890 -0.542 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.543 -4.068 -1.740 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.751 -3.640 -0.025 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.076 -3.358 -1.179 1.00 10.83 H new ATOM 56 N PHE A 4 4.606 -7.443 2.452 1.00 4.55 N ATOM 57 CA PHE A 4 3.296 -7.996 2.820 1.00 4.68 C ATOM 58 C PHE A 4 2.312 -6.840 3.063 1.00 5.30 C ATOM 59 O PHE A 4 2.781 -5.743 3.385 1.00 5.58 O ATOM 60 CB PHE A 4 3.421 -8.746 4.106 1.00 4.83 C ATOM 61 CG PHE A 4 4.563 -9.659 4.057 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.481 -10.869 3.296 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.717 -9.526 4.943 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.457 -11.832 3.360 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.735 -10.491 4.964 1.00 10.61 C ATOM 66 CZ PHE A 4 6.566 -11.669 4.203 1.00 8.90 C ATOM 0 H PHE A 4 5.052 -6.894 3.187 1.00 4.55 H new ATOM 0 HA PHE A 4 2.947 -8.648 2.020 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.543 -8.045 4.932 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.507 -9.308 4.297 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.627 -11.028 2.654 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.788 -8.668 5.595 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.370 -12.723 2.756 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.629 -10.337 5.550 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.302 -12.456 4.271 1.00 8.90 H new ATOM 76 N VAL A 5 0.983 -6.970 2.757 1.00 4.44 N ATOM 77 CA VAL A 5 0.021 -5.859 3.049 1.00 3.87 C ATOM 78 C VAL A 5 -1.168 -6.421 3.737 1.00 4.93 C ATOM 79 O VAL A 5 -1.767 -7.385 3.248 1.00 6.84 O ATOM 80 CB VAL A 5 -0.377 -5.090 1.747 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.434 -3.981 2.109 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.825 -4.412 0.991 1.00 9.13 C ATOM 0 H VAL A 5 0.567 -7.796 2.327 1.00 4.44 H new ATOM 0 HA VAL A 5 0.500 -5.131 3.703 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.782 -5.841 1.068 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.717 -3.440 1.206 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.317 -4.448 2.544 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.000 -3.286 2.828 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.454 -3.903 0.101 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.307 -3.689 1.649 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.547 -5.174 0.698 1.00 9.13 H new ATOM 92 N LYS A 6 -1.537 -5.834 4.900 1.00 6.04 N ATOM 93 CA LYS A 6 -2.669 -6.383 5.722 1.00 6.12 C ATOM 94 C LYS A 6 -3.749 -5.409 6.051 1.00 6.57 C ATOM 95 O LYS A 6 -3.508 -4.226 6.505 1.00 5.76 O ATOM 96 CB LYS A 6 -2.238 -7.009 7.035 1.00 7.45 C ATOM 97 CG LYS A 6 -1.489 -6.084 8.039 1.00 11.12 C ATOM 98 CD LYS A 6 -1.076 -6.818 9.372 1.00 14.54 C ATOM 99 CE LYS A 6 -2.227 -7.246 10.320 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.708 -7.965 11.549 1.00 20.55 N ATOM 0 H LYS A 6 -1.090 -5.005 5.291 1.00 6.04 H new ATOM 0 HA LYS A 6 -3.061 -7.143 5.046 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -3.125 -7.402 7.532 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.594 -7.860 6.811 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.595 -5.687 7.559 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.125 -5.233 8.283 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.505 -7.708 9.107 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.405 -6.163 9.927 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.792 -6.365 10.626 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.917 -7.897 9.783 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -2.508 -8.235 12.157 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.190 -8.819 11.259 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.069 -7.335 12.076 1.00 20.55 H new ATOM 114 N THR A 7 -4.968 -5.779 5.766 1.00 7.41 N ATOM 115 CA THR A 7 -6.156 -5.015 6.116 1.00 7.48 C ATOM 116 C THR A 7 -6.423 -4.882 7.627 1.00 8.75 C ATOM 117 O THR A 7 -6.071 -5.762 8.411 1.00 8.58 O ATOM 118 CB THR A 7 -7.396 -5.599 5.413 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.727 -6.871 5.973 1.00 11.78 O ATOM 120 CG2 THR A 7 -7.148 -5.720 3.869 1.00 9.17 C ATOM 0 H THR A 7 -5.179 -6.645 5.269 1.00 7.41 H new ATOM 0 HA THR A 7 -5.956 -4.003 5.764 1.00 7.48 H new ATOM 0 HB THR A 7 -8.237 -4.923 5.569 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.517 -7.232 5.520 1.00 11.78 H new ATOM 0 HG21 THR A 7 -8.035 -6.134 3.389 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.939 -4.733 3.456 1.00 9.17 H new ATOM 0 HG23 THR A 7 -6.297 -6.377 3.688 1.00 9.17 H new ATOM 128 N LEU A 8 -7.059 -3.758 7.982 1.00 9.84 N ATOM 129 CA LEU A 8 -7.663 -3.451 9.317 1.00 14.15 C ATOM 130 C LEU A 8 -8.687 -4.460 9.785 1.00 17.37 C ATOM 131 O LEU A 8 -8.722 -4.801 10.974 1.00 17.01 O ATOM 132 CB LEU A 8 -8.291 -2.033 9.297 1.00 16.63 C ATOM 133 CG LEU A 8 -8.567 -1.269 10.655 1.00 18.88 C ATOM 134 CD1 LEU A 8 -7.341 -0.634 11.260 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.645 -0.204 10.474 1.00 18.59 C ATOM 0 H LEU A 8 -7.181 -2.989 7.323 1.00 9.84 H new ATOM 0 HA LEU A 8 -6.844 -3.501 10.035 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -7.640 -1.399 8.695 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.241 -2.107 8.768 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.907 -2.037 11.350 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -7.612 -0.130 12.188 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -6.598 -1.404 11.469 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -6.925 0.092 10.561 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -9.815 0.306 11.422 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.320 0.519 9.726 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -10.571 -0.676 10.144 1.00 18.59 H new ATOM 147 N THR A 9 -9.466 -5.040 8.774 1.00 18.33 N ATOM 148 CA THR A 9 -10.585 -5.860 9.078 1.00 19.24 C ATOM 149 C THR A 9 -10.316 -7.343 8.841 1.00 19.48 C ATOM 150 O THR A 9 -11.251 -8.099 8.737 1.00 23.14 O ATOM 151 CB THR A 9 -11.803 -5.434 8.314 1.00 18.97 C ATOM 152 OG1 THR A 9 -11.596 -5.293 6.966 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.163 -4.035 8.827 1.00 19.70 C ATOM 0 H THR A 9 -9.290 -4.918 7.777 1.00 18.33 H new ATOM 0 HA THR A 9 -10.769 -5.726 10.144 1.00 19.24 H new ATOM 0 HB THR A 9 -12.565 -6.199 8.460 1.00 18.97 H new ATOM 0 HG1 THR A 9 -12.431 -5.016 6.534 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.047 -3.672 8.303 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.368 -4.081 9.897 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.330 -3.356 8.646 1.00 19.70 H new ATOM 161 N GLY A 10 -9.104 -7.800 8.708 1.00 19.43 N ATOM 162 CA GLY A 10 -8.778 -9.237 8.547 1.00 18.74 C ATOM 163 C GLY A 10 -8.482 -9.780 7.086 1.00 17.62 C ATOM 164 O GLY A 10 -9.329 -10.326 6.406 1.00 19.74 O ATOM 0 H GLY A 10 -8.282 -7.196 8.705 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -7.906 -9.452 9.165 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -9.608 -9.814 8.955 1.00 18.74 H new ATOM 168 N LYS A 11 -7.182 -9.714 6.719 1.00 13.56 N ATOM 169 CA LYS A 11 -6.518 -10.407 5.690 1.00 11.91 C ATOM 170 C LYS A 11 -5.129 -9.859 5.396 1.00 10.18 C ATOM 171 O LYS A 11 -4.940 -8.699 5.071 1.00 9.10 O ATOM 172 CB LYS A 11 -7.277 -10.456 4.356 1.00 13.43 C ATOM 173 CG LYS A 11 -6.535 -11.341 3.290 1.00 16.69 C ATOM 174 CD LYS A 11 -7.450 -11.486 2.072 1.00 17.92 C ATOM 175 CE LYS A 11 -6.978 -12.547 1.019 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.761 -12.564 -0.240 1.00 21.93 N ATOM 0 H LYS A 11 -6.540 -9.096 7.215 1.00 13.56 H new ATOM 0 HA LYS A 11 -6.452 -11.416 6.097 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -8.279 -10.852 4.523 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.395 -9.444 3.968 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.590 -10.879 3.003 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.298 -12.320 3.707 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.449 -11.755 2.415 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.532 -10.517 1.579 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.932 -12.358 0.777 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.026 -13.536 1.474 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.108 -13.528 -0.420 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.569 -11.915 -0.155 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.156 -12.261 -1.029 1.00 21.93 H new ATOM 190 N THR A 12 -4.150 -10.789 5.357 1.00 9.63 N ATOM 191 CA THR A 12 -2.798 -10.481 4.816 1.00 9.85 C ATOM 192 C THR A 12 -2.665 -11.054 3.465 1.00 11.66 C ATOM 193 O THR A 12 -3.009 -12.231 3.230 1.00 12.33 O ATOM 194 CB THR A 12 -1.599 -10.903 5.659 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.765 -10.561 7.033 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.312 -10.113 5.241 1.00 9.63 C ATOM 0 H THR A 12 -4.263 -11.747 5.687 1.00 9.63 H new ATOM 0 HA THR A 12 -2.758 -9.392 4.817 1.00 9.85 H new ATOM 0 HB THR A 12 -1.513 -11.979 5.507 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.977 -10.849 7.539 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.528 -10.433 5.858 1.00 9.63 H new ATOM 0 HG22 THR A 12 -0.088 -10.310 4.193 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.479 -9.045 5.382 1.00 9.63 H new ATOM 204 N ILE A 13 -2.121 -10.227 2.526 1.00 10.42 N ATOM 205 CA ILE A 13 -1.707 -10.618 1.154 1.00 11.84 C ATOM 206 C ILE A 13 -0.224 -10.266 1.017 1.00 10.55 C ATOM 207 O ILE A 13 0.322 -9.382 1.737 1.00 11.92 O ATOM 208 CB ILE A 13 -2.473 -9.833 0.122 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.084 -8.296 -0.086 1.00 14.87 C ATOM 210 CG2 ILE A 13 -4.029 -10.044 0.334 1.00 17.08 C ATOM 211 CD1 ILE A 13 -2.519 -7.669 -1.415 1.00 16.46 C ATOM 0 H ILE A 13 -1.955 -9.238 2.714 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.897 -11.680 0.998 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.155 -10.257 -0.830 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.522 -7.717 0.727 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.002 -8.200 0.002 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.579 -9.474 -0.415 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -4.270 -11.102 0.233 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.310 -9.701 1.330 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.203 -6.626 -1.446 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.060 -8.212 -2.241 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.604 -7.722 -1.504 1.00 16.46 H new ATOM 223 N THR A 14 0.448 -10.997 0.201 1.00 9.39 N ATOM 224 CA THR A 14 1.835 -10.844 -0.139 1.00 9.63 C ATOM 225 C THR A 14 1.955 -10.180 -1.472 1.00 11.20 C ATOM 226 O THR A 14 1.115 -10.405 -2.355 1.00 11.63 O ATOM 227 CB THR A 14 2.508 -12.175 -0.128 1.00 10.38 C ATOM 228 OG1 THR A 14 2.154 -12.811 1.023 1.00 16.30 O ATOM 229 CG2 THR A 14 3.995 -12.214 -0.364 1.00 11.66 C ATOM 0 H THR A 14 0.017 -11.781 -0.289 1.00 9.39 H new ATOM 0 HA THR A 14 2.329 -10.213 0.599 1.00 9.63 H new ATOM 0 HB THR A 14 2.148 -12.696 -1.016 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.582 -13.692 1.055 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.342 -13.247 -0.327 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.219 -11.790 -1.343 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.501 -11.633 0.407 1.00 11.66 H new ATOM 237 N LEU A 15 3.028 -9.405 -1.816 1.00 8.29 N ATOM 238 CA LEU A 15 3.133 -8.702 -3.117 1.00 9.03 C ATOM 239 C LEU A 15 4.610 -8.605 -3.541 1.00 8.59 C ATOM 240 O LEU A 15 5.527 -8.414 -2.731 1.00 7.79 O ATOM 241 CB LEU A 15 2.483 -7.284 -3.112 1.00 11.08 C ATOM 242 CG LEU A 15 0.931 -7.173 -3.045 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.600 -5.669 -2.994 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.289 -7.804 -4.254 1.00 15.27 C ATOM 0 H LEU A 15 3.830 -9.257 -1.203 1.00 8.29 H new ATOM 0 HA LEU A 15 2.571 -9.295 -3.838 1.00 9.03 H new ATOM 0 HB2 LEU A 15 2.891 -6.737 -2.262 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.813 -6.766 -4.013 1.00 11.08 H new ATOM 0 HG LEU A 15 0.547 -7.697 -2.170 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.481 -5.536 -2.946 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.060 -5.225 -2.111 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.986 -5.181 -3.889 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.795 -7.712 -4.180 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.636 -7.299 -5.155 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.561 -8.858 -4.302 1.00 15.27 H new ATOM 256 N GLU A 16 4.906 -8.554 -4.861 1.00 11.04 N ATOM 257 CA GLU A 16 6.224 -8.305 -5.482 1.00 11.50 C ATOM 258 C GLU A 16 6.371 -6.833 -5.946 1.00 10.13 C ATOM 259 O GLU A 16 5.617 -6.345 -6.779 1.00 9.83 O ATOM 260 CB GLU A 16 6.482 -9.368 -6.614 1.00 17.22 C ATOM 261 CG GLU A 16 7.871 -9.393 -7.271 1.00 23.33 C ATOM 262 CD GLU A 16 8.876 -10.040 -6.431 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.784 -11.327 -6.186 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.821 -9.320 -6.019 1.00 28.90 O ATOM 0 H GLU A 16 4.181 -8.695 -5.565 1.00 11.04 H new ATOM 0 HA GLU A 16 7.010 -8.436 -4.739 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.292 -10.356 -6.195 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.743 -9.207 -7.399 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.809 -9.916 -8.225 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.186 -8.372 -7.487 1.00 23.33 H new ATOM 271 N VAL A 17 7.220 -6.115 -5.299 1.00 8.99 N ATOM 272 CA VAL A 17 7.494 -4.713 -5.603 1.00 8.85 C ATOM 273 C VAL A 17 8.929 -4.596 -5.960 1.00 8.04 C ATOM 274 O VAL A 17 9.504 -5.607 -6.231 1.00 8.99 O ATOM 275 CB VAL A 17 7.194 -3.778 -4.461 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.663 -3.642 -4.294 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.889 -4.130 -3.143 1.00 10.54 C ATOM 0 H VAL A 17 7.769 -6.476 -4.519 1.00 8.99 H new ATOM 0 HA VAL A 17 6.838 -4.419 -6.423 1.00 8.85 H new ATOM 0 HB VAL A 17 7.621 -2.811 -4.728 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.446 -2.965 -3.468 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.231 -3.244 -5.212 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.231 -4.621 -4.085 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.613 -3.402 -2.380 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.580 -5.125 -2.823 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.969 -4.114 -3.286 1.00 10.54 H new ATOM 287 N GLU A 18 9.472 -3.352 -6.024 1.00 7.29 N ATOM 288 CA GLU A 18 10.908 -3.117 -6.195 1.00 7.08 C ATOM 289 C GLU A 18 11.085 -1.804 -5.427 1.00 6.45 C ATOM 290 O GLU A 18 10.031 -1.137 -5.279 1.00 5.28 O ATOM 291 CB GLU A 18 11.275 -2.888 -7.655 1.00 10.28 C ATOM 292 CG GLU A 18 11.414 -4.240 -8.462 1.00 12.65 C ATOM 293 CD GLU A 18 12.596 -5.108 -7.981 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.753 -4.613 -8.056 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.441 -6.287 -7.537 1.00 18.17 O ATOM 0 H GLU A 18 8.920 -2.497 -5.958 1.00 7.29 H new ATOM 0 HA GLU A 18 11.523 -3.952 -5.859 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.514 -2.265 -8.124 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.215 -2.338 -7.708 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.490 -4.810 -8.368 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.543 -4.014 -9.520 1.00 12.65 H new ATOM 302 N PRO A 19 12.214 -1.334 -5.071 1.00 7.24 N ATOM 303 CA PRO A 19 12.389 0.006 -4.457 1.00 7.07 C ATOM 304 C PRO A 19 11.901 1.228 -5.136 1.00 6.65 C ATOM 305 O PRO A 19 11.726 2.228 -4.464 1.00 6.37 O ATOM 306 CB PRO A 19 13.890 0.113 -4.240 1.00 7.61 C ATOM 307 CG PRO A 19 14.270 -1.382 -4.045 1.00 8.16 C ATOM 308 CD PRO A 19 13.520 -2.029 -5.145 1.00 7.49 C ATOM 0 HA PRO A 19 11.741 0.015 -3.581 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.399 0.560 -5.094 1.00 7.61 H new ATOM 0 HB3 PRO A 19 14.138 0.719 -3.368 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.344 -1.546 -4.131 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.967 -1.757 -3.067 1.00 8.16 H new ATOM 0 HD2 PRO A 19 14.005 -1.886 -6.110 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.420 -3.104 -4.995 1.00 7.49 H new ATOM 316 N SER A 20 11.741 1.192 -6.480 1.00 6.80 N ATOM 317 CA SER A 20 11.317 2.401 -7.242 1.00 6.28 C ATOM 318 C SER A 20 9.853 2.366 -7.551 1.00 8.45 C ATOM 319 O SER A 20 9.310 3.350 -8.073 1.00 7.26 O ATOM 320 CB SER A 20 12.048 2.477 -8.643 1.00 8.57 C ATOM 321 OG SER A 20 13.433 2.691 -8.470 1.00 11.13 O ATOM 0 H SER A 20 11.894 0.362 -7.052 1.00 6.80 H new ATOM 0 HA SER A 20 11.568 3.254 -6.612 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.884 1.552 -9.196 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.621 3.284 -9.239 1.00 8.57 H new ATOM 0 HG SER A 20 13.869 2.734 -9.346 1.00 11.13 H new ATOM 327 N ASP A 21 9.068 1.245 -7.286 1.00 7.50 N ATOM 328 CA ASP A 21 7.640 1.209 -7.552 1.00 7.70 C ATOM 329 C ASP A 21 6.983 2.306 -6.688 1.00 7.08 C ATOM 330 O ASP A 21 7.386 2.584 -5.572 1.00 8.11 O ATOM 331 CB ASP A 21 7.041 -0.223 -7.261 1.00 11.00 C ATOM 332 CG ASP A 21 7.478 -1.277 -8.212 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.382 -1.080 -9.073 1.00 14.36 O ATOM 334 OD2 ASP A 21 6.964 -2.429 -8.088 1.00 18.03 O ATOM 0 H ASP A 21 9.438 0.380 -6.891 1.00 7.50 H new ATOM 0 HA ASP A 21 7.438 1.403 -8.605 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.322 -0.523 -6.251 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.953 -0.160 -7.283 1.00 11.00 H new ATOM 339 N THR A 22 5.874 2.922 -7.153 1.00 5.37 N ATOM 340 CA THR A 22 5.261 3.955 -6.314 1.00 6.01 C ATOM 341 C THR A 22 4.181 3.383 -5.494 1.00 8.01 C ATOM 342 O THR A 22 3.773 2.235 -5.505 1.00 8.11 O ATOM 343 CB THR A 22 4.714 5.141 -7.065 1.00 8.92 C ATOM 344 OG1 THR A 22 3.756 4.811 -8.034 1.00 10.22 O ATOM 345 CG2 THR A 22 5.820 5.783 -7.789 1.00 9.65 C ATOM 0 H THR A 22 5.415 2.735 -8.045 1.00 5.37 H new ATOM 0 HA THR A 22 6.079 4.324 -5.695 1.00 6.01 H new ATOM 0 HB THR A 22 4.243 5.780 -6.318 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.446 5.627 -8.478 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.443 6.645 -8.339 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.579 6.110 -7.078 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.260 5.071 -8.487 1.00 9.65 H new ATOM 353 N ILE A 23 3.701 4.228 -4.518 1.00 8.32 N ATOM 354 CA ILE A 23 2.522 3.965 -3.644 1.00 9.92 C ATOM 355 C ILE A 23 1.261 3.676 -4.439 1.00 10.01 C ATOM 356 O ILE A 23 0.608 2.681 -4.255 1.00 8.71 O ATOM 357 CB ILE A 23 2.307 5.129 -2.691 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.604 5.382 -1.862 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.138 4.920 -1.788 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.904 4.271 -0.835 1.00 12.30 C ATOM 0 H ILE A 23 4.140 5.128 -4.321 1.00 8.32 H new ATOM 0 HA ILE A 23 2.739 3.066 -3.067 1.00 9.92 H new ATOM 0 HB ILE A 23 2.083 6.009 -3.294 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.449 5.474 -2.544 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.512 6.334 -1.339 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.029 5.781 -1.128 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.233 4.804 -2.385 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.296 4.022 -1.190 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.819 4.512 -0.295 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.076 4.194 -0.130 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.029 3.320 -1.353 1.00 12.30 H new ATOM 372 N GLU A 24 0.990 4.496 -5.463 1.00 9.54 N ATOM 373 CA GLU A 24 -0.007 4.317 -6.484 1.00 11.81 C ATOM 374 C GLU A 24 0.104 3.028 -7.289 1.00 11.14 C ATOM 375 O GLU A 24 -0.891 2.449 -7.665 1.00 10.62 O ATOM 376 CB GLU A 24 0.067 5.463 -7.511 1.00 19.24 C ATOM 377 CG GLU A 24 -1.060 5.505 -8.537 1.00 27.76 C ATOM 378 CD GLU A 24 -1.042 6.734 -9.391 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.036 7.484 -9.387 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.076 7.047 -10.015 1.00 34.80 O ATOM 0 H GLU A 24 1.511 5.363 -5.594 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.943 4.291 -5.926 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.078 6.410 -6.971 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.015 5.389 -8.043 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.991 4.626 -9.177 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.016 5.447 -8.017 1.00 27.76 H new ATOM 387 N ASN A 25 1.379 2.594 -7.503 1.00 9.43 N ATOM 388 CA ASN A 25 1.643 1.267 -8.014 1.00 10.96 C ATOM 389 C ASN A 25 1.294 0.152 -7.053 1.00 9.68 C ATOM 390 O ASN A 25 0.801 -0.919 -7.438 1.00 9.33 O ATOM 391 CB ASN A 25 3.001 0.974 -8.739 1.00 16.78 C ATOM 392 CG ASN A 25 3.416 2.038 -9.693 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.622 2.162 -9.778 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.508 2.613 -10.553 1.00 24.70 N ATOM 0 H ASN A 25 2.212 3.154 -7.325 1.00 9.43 H new ATOM 0 HA ASN A 25 0.931 1.277 -8.840 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.782 0.847 -7.989 1.00 16.78 H new ATOM 0 HB3 ASN A 25 2.918 0.029 -9.277 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.834 3.190 -11.328 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.509 2.462 -10.415 1.00 24.70 H new ATOM 401 N VAL A 26 1.521 0.238 -5.716 1.00 6.52 N ATOM 402 CA VAL A 26 1.131 -0.777 -4.789 1.00 5.53 C ATOM 403 C VAL A 26 -0.430 -0.811 -4.793 1.00 4.42 C ATOM 404 O VAL A 26 -1.020 -1.854 -4.988 1.00 3.40 O ATOM 405 CB VAL A 26 1.745 -0.560 -3.448 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.158 -1.459 -2.406 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.297 -0.701 -3.621 1.00 8.12 C ATOM 0 H VAL A 26 1.986 1.034 -5.280 1.00 6.52 H new ATOM 0 HA VAL A 26 1.502 -1.759 -5.081 1.00 5.53 H new ATOM 0 HB VAL A 26 1.523 0.439 -3.073 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.637 -1.265 -1.446 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.088 -1.269 -2.323 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.321 -2.499 -2.689 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.786 -0.549 -2.659 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.532 -1.698 -3.994 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.653 0.045 -4.331 1.00 8.12 H new ATOM 417 N LYS A 27 -1.192 0.319 -4.928 1.00 2.64 N ATOM 418 CA LYS A 27 -2.678 0.305 -4.946 1.00 4.14 C ATOM 419 C LYS A 27 -3.263 -0.366 -6.205 1.00 5.58 C ATOM 420 O LYS A 27 -4.283 -1.100 -6.142 1.00 4.11 O ATOM 421 CB LYS A 27 -3.313 1.735 -4.701 1.00 3.97 C ATOM 422 CG LYS A 27 -2.956 2.294 -3.326 1.00 7.45 C ATOM 423 CD LYS A 27 -3.594 3.694 -2.980 1.00 9.02 C ATOM 424 CE LYS A 27 -3.220 4.802 -3.857 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.983 6.067 -3.579 1.00 15.47 N ATOM 0 H LYS A 27 -0.791 1.252 -5.026 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.964 -0.318 -4.098 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.966 2.422 -5.473 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.397 1.671 -4.795 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.266 1.575 -2.568 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.872 2.381 -3.258 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.679 3.591 -2.999 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.317 3.955 -1.959 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.153 4.998 -3.747 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.385 4.507 -4.893 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.763 6.159 -4.260 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.368 6.035 -2.614 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.346 6.884 -3.671 1.00 15.47 H new ATOM 439 N ALA A 28 -2.599 -0.190 -7.361 1.00 6.61 N ATOM 440 CA ALA A 28 -2.895 -0.923 -8.554 1.00 7.74 C ATOM 441 C ALA A 28 -2.572 -2.433 -8.448 1.00 9.17 C ATOM 442 O ALA A 28 -3.357 -3.200 -9.051 1.00 11.45 O ATOM 443 CB ALA A 28 -1.994 -0.272 -9.615 1.00 7.68 C ATOM 0 H ALA A 28 -1.837 0.479 -7.470 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.961 -0.881 -8.779 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.147 -0.766 -10.575 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.245 0.785 -9.707 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.950 -0.372 -9.317 1.00 7.68 H new ATOM 449 N LYS A 29 -1.483 -2.855 -7.753 1.00 8.96 N ATOM 450 CA LYS A 29 -1.138 -4.270 -7.499 1.00 7.90 C ATOM 451 C LYS A 29 -2.084 -4.934 -6.551 1.00 6.92 C ATOM 452 O LYS A 29 -2.467 -6.110 -6.688 1.00 6.87 O ATOM 453 CB LYS A 29 0.327 -4.391 -6.878 1.00 10.28 C ATOM 454 CG LYS A 29 1.440 -3.977 -7.830 1.00 14.94 C ATOM 455 CD LYS A 29 2.764 -4.001 -7.095 1.00 19.69 C ATOM 456 CE LYS A 29 3.917 -3.306 -7.880 1.00 22.63 C ATOM 457 NZ LYS A 29 4.726 -4.355 -8.521 1.00 24.98 N ATOM 0 H LYS A 29 -0.810 -2.204 -7.348 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.197 -4.767 -8.467 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.382 -3.774 -5.981 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.494 -5.422 -6.567 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.473 -4.653 -8.684 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.246 -2.978 -8.221 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.644 -3.511 -6.129 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.042 -5.036 -6.895 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.512 -2.626 -8.629 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.531 -2.709 -7.206 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.652 -3.965 -8.788 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.861 -5.144 -7.857 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.237 -4.699 -9.372 1.00 24.98 H new ATOM 471 N ILE A 30 -2.579 -4.133 -5.547 1.00 4.57 N ATOM 472 CA ILE A 30 -3.612 -4.503 -4.609 1.00 5.58 C ATOM 473 C ILE A 30 -4.976 -4.769 -5.317 1.00 7.26 C ATOM 474 O ILE A 30 -5.655 -5.766 -5.045 1.00 9.46 O ATOM 475 CB ILE A 30 -3.816 -3.591 -3.400 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.521 -3.531 -2.532 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.973 -3.993 -2.450 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.577 -2.472 -1.487 1.00 2.00 C ATOM 0 H ILE A 30 -2.234 -3.186 -5.394 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.216 -5.426 -4.186 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.071 -2.629 -3.845 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.363 -4.498 -2.055 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.663 -3.351 -3.180 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.031 -3.281 -1.626 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.914 -3.989 -3.000 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.788 -4.992 -2.054 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.650 -2.477 -0.914 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.705 -1.499 -1.961 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.417 -2.664 -0.819 1.00 2.00 H new ATOM 490 N GLN A 31 -5.348 -3.927 -6.257 1.00 7.06 N ATOM 491 CA GLN A 31 -6.628 -4.026 -7.063 1.00 8.67 C ATOM 492 C GLN A 31 -6.595 -5.315 -7.893 1.00 10.90 C ATOM 493 O GLN A 31 -7.479 -6.160 -7.862 1.00 9.63 O ATOM 494 CB GLN A 31 -6.743 -2.751 -8.062 1.00 9.12 C ATOM 495 CG GLN A 31 -8.023 -2.712 -8.915 1.00 10.76 C ATOM 496 CD GLN A 31 -7.838 -1.617 -9.919 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.756 -1.159 -10.238 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.933 -1.120 -10.568 1.00 14.76 N ATOM 0 H GLN A 31 -4.780 -3.121 -6.518 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.485 -4.037 -6.390 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.690 -1.837 -7.470 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.880 -2.750 -8.727 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.186 -3.669 -9.411 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.897 -2.522 -8.292 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.864 -1.469 -10.339 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.820 -0.400 -11.281 1.00 14.76 H new ATOM 507 N ASP A 32 -5.470 -5.469 -8.581 1.00 10.93 N ATOM 508 CA ASP A 32 -5.165 -6.608 -9.396 1.00 14.01 C ATOM 509 C ASP A 32 -5.293 -7.950 -8.663 1.00 14.04 C ATOM 510 O ASP A 32 -5.741 -8.951 -9.163 1.00 13.39 O ATOM 511 CB ASP A 32 -3.760 -6.500 -9.956 1.00 18.01 C ATOM 512 CG ASP A 32 -3.429 -7.482 -11.051 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.238 -7.604 -12.020 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.343 -8.095 -10.963 1.00 25.17 O ATOM 0 H ASP A 32 -4.727 -4.771 -8.577 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.908 -6.598 -10.194 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.615 -5.490 -10.340 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.049 -6.636 -9.141 1.00 18.01 H new ATOM 519 N LYS A 33 -4.901 -8.015 -7.401 1.00 14.22 N ATOM 520 CA LYS A 33 -4.955 -9.232 -6.602 1.00 14.00 C ATOM 521 C LYS A 33 -6.344 -9.317 -5.943 1.00 12.37 C ATOM 522 O LYS A 33 -7.089 -10.246 -6.083 1.00 12.17 O ATOM 523 CB LYS A 33 -3.742 -9.162 -5.578 1.00 18.62 C ATOM 524 CG LYS A 33 -3.652 -10.490 -4.868 1.00 24.00 C ATOM 525 CD LYS A 33 -2.199 -10.686 -4.493 1.00 27.61 C ATOM 526 CE LYS A 33 -1.894 -12.044 -3.969 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.443 -12.242 -3.986 1.00 30.06 N ATOM 0 H LYS A 33 -4.530 -7.212 -6.893 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.842 -10.147 -7.184 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -2.812 -8.948 -6.104 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -3.896 -8.356 -4.860 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -4.285 -10.498 -3.981 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -3.997 -11.298 -5.513 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.578 -10.496 -5.369 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -1.924 -9.946 -3.741 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -2.278 -12.152 -2.954 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -2.386 -12.803 -4.578 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.219 -13.196 -3.637 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.090 -12.137 -4.958 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 0.011 -11.534 -3.374 1.00 30.06 H new ATOM 541 N GLU A 34 -6.690 -8.284 -5.150 1.00 10.11 N ATOM 542 CA GLU A 34 -7.803 -8.286 -4.255 1.00 10.07 C ATOM 543 C GLU A 34 -9.087 -7.549 -4.627 1.00 9.32 C ATOM 544 O GLU A 34 -10.028 -7.629 -3.844 1.00 11.61 O ATOM 545 CB GLU A 34 -7.331 -7.699 -2.952 1.00 14.77 C ATOM 546 CG GLU A 34 -6.432 -8.659 -2.080 1.00 18.75 C ATOM 547 CD GLU A 34 -7.210 -9.887 -1.723 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.208 -9.761 -0.959 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.826 -10.978 -2.245 1.00 21.95 O ATOM 0 H GLU A 34 -6.168 -7.408 -5.134 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.105 -9.333 -4.249 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -6.769 -6.789 -3.162 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.202 -7.407 -2.365 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.533 -8.933 -2.632 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.106 -8.146 -1.175 1.00 18.75 H new ATOM 556 N GLY A 35 -9.092 -6.932 -5.821 1.00 7.22 N ATOM 557 CA GLY A 35 -10.265 -6.316 -6.397 1.00 6.29 C ATOM 558 C GLY A 35 -10.615 -4.934 -5.868 1.00 6.93 C ATOM 559 O GLY A 35 -11.516 -4.240 -6.331 1.00 7.41 O ATOM 0 H GLY A 35 -8.262 -6.855 -6.409 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.123 -6.246 -7.475 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.117 -6.975 -6.230 1.00 6.29 H new ATOM 563 N ILE A 36 -9.833 -4.476 -4.861 1.00 5.86 N ATOM 564 CA ILE A 36 -10.094 -3.215 -4.124 1.00 6.07 C ATOM 565 C ILE A 36 -9.631 -2.019 -5.017 1.00 6.36 C ATOM 566 O ILE A 36 -8.490 -1.916 -5.410 1.00 6.18 O ATOM 567 CB ILE A 36 -9.377 -3.182 -2.772 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.713 -4.508 -2.040 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.691 -1.969 -2.057 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.976 -4.637 -0.674 1.00 9.49 C ATOM 0 H ILE A 36 -9.002 -4.971 -4.536 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.161 -3.143 -3.914 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.293 -3.139 -2.873 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.789 -4.566 -1.876 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.442 -5.350 -2.677 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.171 -1.966 -1.099 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.373 -1.108 -2.645 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.766 -1.915 -1.886 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.246 -5.582 -0.203 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.899 -4.607 -0.838 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.267 -3.812 -0.024 1.00 9.49 H new ATOM 582 N PRO A 37 -10.429 -1.115 -5.391 1.00 8.65 N ATOM 583 CA PRO A 37 -9.967 0.015 -6.214 1.00 9.18 C ATOM 584 C PRO A 37 -8.959 0.905 -5.501 1.00 9.85 C ATOM 585 O PRO A 37 -9.019 1.087 -4.247 1.00 8.51 O ATOM 586 CB PRO A 37 -11.246 0.853 -6.508 1.00 11.42 C ATOM 587 CG PRO A 37 -12.277 0.436 -5.459 1.00 9.27 C ATOM 588 CD PRO A 37 -11.852 -0.978 -5.066 1.00 8.33 C ATOM 0 HA PRO A 37 -9.465 -0.362 -7.105 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.035 1.921 -6.445 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.615 0.660 -7.515 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -12.268 1.108 -4.601 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.288 0.451 -5.865 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.021 -1.148 -4.003 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.442 -1.720 -5.605 1.00 8.33 H new ATOM 596 N PRO A 38 -8.124 1.638 -6.236 1.00 8.71 N ATOM 597 CA PRO A 38 -7.005 2.388 -5.660 1.00 9.08 C ATOM 598 C PRO A 38 -7.453 3.584 -4.825 1.00 9.28 C ATOM 599 O PRO A 38 -6.783 3.921 -3.861 1.00 6.50 O ATOM 600 CB PRO A 38 -6.129 2.757 -6.832 1.00 10.31 C ATOM 601 CG PRO A 38 -7.011 2.604 -8.074 1.00 10.81 C ATOM 602 CD PRO A 38 -7.912 1.446 -7.675 1.00 12.00 C ATOM 0 HA PRO A 38 -6.451 1.789 -4.937 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.759 3.778 -6.738 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.257 2.106 -6.889 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -7.579 3.510 -8.286 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -6.426 2.378 -8.966 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.854 1.466 -8.223 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.442 0.485 -7.884 1.00 12.00 H new ATOM 610 N ASP A 39 -8.609 4.197 -5.168 1.00 11.20 N ATOM 611 CA ASP A 39 -9.196 5.293 -4.415 1.00 14.96 C ATOM 612 C ASP A 39 -9.749 4.968 -3.067 1.00 13.99 C ATOM 613 O ASP A 39 -10.138 5.904 -2.349 1.00 13.75 O ATOM 614 CB ASP A 39 -10.307 6.019 -5.223 1.00 24.16 C ATOM 615 CG ASP A 39 -9.802 6.568 -6.504 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.286 7.719 -6.429 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.924 5.938 -7.594 1.00 35.55 O ATOM 0 H ASP A 39 -9.155 3.930 -5.987 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.331 5.933 -4.244 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.121 5.323 -5.424 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.721 6.828 -4.621 1.00 24.16 H new ATOM 622 N GLN A 40 -9.929 3.669 -2.663 1.00 11.60 N ATOM 623 CA GLN A 40 -10.480 3.382 -1.402 1.00 10.76 C ATOM 624 C GLN A 40 -9.377 2.733 -0.590 1.00 8.01 C ATOM 625 O GLN A 40 -9.728 2.332 0.545 1.00 8.96 O ATOM 626 CB GLN A 40 -11.683 2.430 -1.650 1.00 11.14 C ATOM 627 CG GLN A 40 -12.975 3.175 -2.192 1.00 14.85 C ATOM 628 CD GLN A 40 -14.191 2.226 -2.271 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.099 1.033 -2.722 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.388 2.675 -1.781 1.00 18.16 N ATOM 0 H GLN A 40 -9.687 2.851 -3.223 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.841 4.255 -0.858 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.388 1.663 -2.366 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.931 1.919 -0.719 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.211 4.015 -1.539 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.770 3.587 -3.180 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.467 3.626 -1.420 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -16.201 2.059 -1.777 1.00 18.16 H new ATOM 639 N GLN A 41 -8.128 2.787 -0.985 1.00 6.52 N ATOM 640 CA GLN A 41 -7.098 2.211 -0.199 1.00 3.87 C ATOM 641 C GLN A 41 -6.296 3.334 0.358 1.00 4.79 C ATOM 642 O GLN A 41 -5.790 4.211 -0.358 1.00 6.34 O ATOM 643 CB GLN A 41 -6.236 1.344 -1.118 1.00 4.20 C ATOM 644 CG GLN A 41 -6.832 0.102 -1.823 1.00 3.20 C ATOM 645 CD GLN A 41 -5.869 -0.487 -2.819 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.660 -0.471 -2.629 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.371 -0.964 -3.952 1.00 7.13 N ATOM 0 H GLN A 41 -7.814 3.228 -1.850 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.488 1.595 0.611 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.842 1.996 -1.897 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.385 1.001 -0.529 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.091 -0.650 -1.078 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.756 0.380 -2.330 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.380 -0.972 -4.099 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.747 -1.322 -4.675 1.00 7.13 H new ATOM 656 N ARG A 42 -6.137 3.254 1.691 1.00 5.73 N ATOM 657 CA ARG A 42 -5.290 4.157 2.451 1.00 6.97 C ATOM 658 C ARG A 42 -4.127 3.373 3.083 1.00 7.15 C ATOM 659 O ARG A 42 -4.243 2.471 3.882 1.00 7.33 O ATOM 660 CB ARG A 42 -6.056 4.892 3.528 1.00 13.23 C ATOM 661 CG ARG A 42 -7.211 5.789 2.981 1.00 21.27 C ATOM 662 CD ARG A 42 -8.132 6.212 4.188 1.00 26.14 C ATOM 663 NE ARG A 42 -7.378 7.064 5.140 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.515 7.019 6.476 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.382 6.225 7.129 1.00 35.30 N ATOM 666 NH2 ARG A 42 -6.664 7.739 7.277 1.00 36.39 N ATOM 0 H ARG A 42 -6.602 2.551 2.265 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.904 4.904 1.757 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.473 4.165 4.225 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.362 5.514 4.094 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.804 6.672 2.488 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.791 5.246 2.235 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -9.003 6.753 3.817 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -8.502 5.324 4.700 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.709 7.730 4.754 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.995 5.600 6.606 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.427 6.248 8.148 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -5.928 8.308 6.858 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -6.767 7.705 8.291 1.00 36.39 H new ATOM 680 N LEU A 43 -2.939 3.786 2.580 1.00 4.65 N ATOM 681 CA LEU A 43 -1.747 2.993 2.873 1.00 3.51 C ATOM 682 C LEU A 43 -0.993 3.639 4.061 1.00 5.56 C ATOM 683 O LEU A 43 -0.557 4.812 4.033 1.00 4.19 O ATOM 684 CB LEU A 43 -0.880 2.805 1.636 1.00 3.74 C ATOM 685 CG LEU A 43 -1.495 1.750 0.684 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.592 1.562 -0.484 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.877 0.410 1.305 1.00 6.41 C ATOM 0 H LEU A 43 -2.793 4.615 2.004 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.037 1.985 3.169 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.775 3.755 1.113 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.121 2.493 1.933 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.457 2.163 0.381 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.019 0.820 -1.159 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.478 2.509 -1.012 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.383 1.219 -0.138 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.296 -0.241 0.537 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.991 -0.058 1.734 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.618 0.570 2.088 1.00 6.41 H new ATOM 699 N ILE A 44 -0.742 2.864 5.106 1.00 4.58 N ATOM 700 CA ILE A 44 -0.274 3.315 6.389 1.00 5.55 C ATOM 701 C ILE A 44 1.068 2.601 6.620 1.00 5.46 C ATOM 702 O ILE A 44 1.200 1.392 6.573 1.00 6.04 O ATOM 703 CB ILE A 44 -1.260 2.950 7.482 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.607 3.570 7.207 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.737 3.341 8.866 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.669 5.094 7.080 1.00 13.90 C ATOM 0 H ILE A 44 -0.869 1.853 5.070 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.165 4.399 6.412 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.378 1.866 7.480 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.994 3.139 6.283 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.285 3.271 8.006 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.470 3.064 9.624 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.201 2.821 9.061 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.568 4.417 8.901 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.696 5.401 6.883 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.325 5.551 8.008 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.030 5.417 6.258 1.00 13.90 H new ATOM 718 N PHE A 45 2.122 3.387 6.872 1.00 6.75 N ATOM 719 CA PHE A 45 3.292 2.750 7.393 1.00 4.70 C ATOM 720 C PHE A 45 4.034 3.700 8.304 1.00 6.34 C ATOM 721 O PHE A 45 4.286 4.864 7.955 1.00 5.45 O ATOM 722 CB PHE A 45 4.192 2.349 6.178 1.00 5.51 C ATOM 723 CG PHE A 45 5.385 1.553 6.600 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.421 0.279 7.147 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.605 2.162 6.381 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.615 -0.388 7.417 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.806 1.579 6.760 1.00 6.64 C ATOM 728 CZ PHE A 45 7.810 0.293 7.287 1.00 6.84 C ATOM 0 H PHE A 45 2.174 4.396 6.729 1.00 6.75 H new ATOM 0 HA PHE A 45 3.024 1.867 7.974 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.603 1.769 5.467 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.522 3.249 5.659 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.488 -0.216 7.373 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.625 3.127 5.897 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.606 -1.423 7.724 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.733 2.122 6.646 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.737 -0.169 7.592 1.00 6.84 H new ATOM 738 N ALA A 46 4.535 3.218 9.470 1.00 6.53 N ATOM 739 CA ALA A 46 5.390 3.879 10.388 1.00 7.15 C ATOM 740 C ALA A 46 4.703 5.099 10.986 1.00 9.00 C ATOM 741 O ALA A 46 5.240 6.217 11.133 1.00 11.15 O ATOM 742 CB ALA A 46 6.783 4.272 9.851 1.00 8.99 C ATOM 0 H ALA A 46 4.309 2.274 9.784 1.00 6.53 H new ATOM 0 HA ALA A 46 5.583 3.129 11.155 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.349 4.770 10.638 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.316 3.376 9.532 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.669 4.948 9.003 1.00 8.99 H new ATOM 748 N GLY A 47 3.414 5.010 11.332 1.00 9.35 N ATOM 749 CA GLY A 47 2.558 6.134 11.771 1.00 11.68 C ATOM 750 C GLY A 47 1.948 7.093 10.785 1.00 11.14 C ATOM 751 O GLY A 47 1.113 7.913 11.209 1.00 13.93 O ATOM 0 H GLY A 47 2.913 4.122 11.316 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.736 5.701 12.341 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.150 6.729 12.466 1.00 11.68 H new ATOM 755 N LYS A 48 2.317 7.000 9.484 1.00 10.47 N ATOM 756 CA LYS A 48 1.880 7.935 8.490 1.00 8.82 C ATOM 757 C LYS A 48 1.271 7.374 7.223 1.00 7.68 C ATOM 758 O LYS A 48 1.698 6.380 6.695 1.00 6.47 O ATOM 759 CB LYS A 48 3.049 8.958 8.277 1.00 9.74 C ATOM 760 CG LYS A 48 4.243 8.484 7.492 1.00 14.14 C ATOM 761 CD LYS A 48 5.387 9.526 7.613 1.00 16.32 C ATOM 762 CE LYS A 48 6.683 8.941 7.095 1.00 20.04 C ATOM 763 NZ LYS A 48 7.832 9.773 7.446 1.00 23.92 N ATOM 0 H LYS A 48 2.926 6.266 9.123 1.00 10.47 H new ATOM 0 HA LYS A 48 0.994 8.442 8.872 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.642 9.836 7.776 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.397 9.283 9.258 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.577 7.516 7.866 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.972 8.345 6.445 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.133 10.423 7.048 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.506 9.827 8.654 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.820 7.940 7.505 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.627 8.836 6.011 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.701 9.340 7.074 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.714 10.720 7.034 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.900 9.852 8.481 1.00 23.92 H new ATOM 777 N GLN A 49 0.240 8.126 6.769 1.00 8.89 N ATOM 778 CA GLN A 49 -0.503 7.798 5.584 1.00 7.18 C ATOM 779 C GLN A 49 0.290 8.155 4.378 1.00 8.23 C ATOM 780 O GLN A 49 0.796 9.267 4.299 1.00 9.70 O ATOM 781 CB GLN A 49 -1.871 8.474 5.670 1.00 11.67 C ATOM 782 CG GLN A 49 -2.912 8.099 4.557 1.00 15.82 C ATOM 783 CD GLN A 49 -4.128 9.079 4.575 1.00 20.21 C ATOM 784 OE1 GLN A 49 -5.012 8.650 5.350 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.178 10.217 3.891 1.00 20.67 N ATOM 0 H GLN A 49 -0.081 8.975 7.234 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.686 6.727 5.502 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.308 8.236 6.640 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.720 9.553 5.645 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.431 8.129 3.579 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -3.261 7.078 4.710 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.403 10.481 3.282 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.991 10.827 3.975 1.00 20.67 H new ATOM 794 N LEU A 50 0.527 7.246 3.381 1.00 6.51 N ATOM 795 CA LEU A 50 1.543 7.346 2.349 1.00 7.41 C ATOM 796 C LEU A 50 0.969 7.914 1.118 1.00 8.27 C ATOM 797 O LEU A 50 -0.080 7.601 0.545 1.00 8.34 O ATOM 798 CB LEU A 50 2.225 5.978 2.024 1.00 7.13 C ATOM 799 CG LEU A 50 2.647 5.244 3.279 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.091 3.824 2.934 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.736 5.951 4.114 1.00 9.11 C ATOM 0 H LEU A 50 -0.026 6.393 3.295 1.00 6.51 H new ATOM 0 HA LEU A 50 2.316 8.006 2.743 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.536 5.355 1.454 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.097 6.148 1.393 1.00 7.13 H new ATOM 0 HG LEU A 50 1.761 5.228 3.914 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.392 3.306 3.844 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.265 3.288 2.468 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.933 3.864 2.243 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.970 5.348 4.991 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.634 6.076 3.509 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.373 6.929 4.432 1.00 9.11 H new ATOM 813 N GLU A 51 1.640 8.956 0.653 1.00 9.43 N ATOM 814 CA GLU A 51 1.444 9.760 -0.577 1.00 11.90 C ATOM 815 C GLU A 51 1.794 9.108 -1.882 1.00 11.49 C ATOM 816 O GLU A 51 2.956 8.635 -2.114 1.00 9.88 O ATOM 817 CB GLU A 51 2.266 11.111 -0.427 1.00 16.56 C ATOM 818 CG GLU A 51 2.091 12.171 -1.572 1.00 26.06 C ATOM 819 CD GLU A 51 2.823 13.401 -1.343 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.367 14.279 -0.536 1.00 33.44 O ATOM 821 OE2 GLU A 51 3.852 13.597 -2.037 1.00 32.13 O ATOM 0 H GLU A 51 2.435 9.314 1.182 1.00 9.43 H new ATOM 0 HA GLU A 51 0.367 9.914 -0.643 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.984 11.579 0.516 1.00 16.56 H new ATOM 0 HB3 GLU A 51 3.324 10.860 -0.354 1.00 16.56 H new ATOM 0 HG2 GLU A 51 2.420 11.733 -2.514 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.032 12.404 -1.681 1.00 26.06 H new ATOM 828 N ASP A 52 0.930 9.309 -2.918 1.00 12.71 N ATOM 829 CA ASP A 52 0.795 8.526 -4.176 1.00 16.56 C ATOM 830 C ASP A 52 1.990 8.494 -5.056 1.00 15.83 C ATOM 831 O ASP A 52 2.549 7.463 -5.505 1.00 17.21 O ATOM 832 CB ASP A 52 -0.433 9.101 -4.955 1.00 21.05 C ATOM 833 CG ASP A 52 -1.665 9.229 -4.088 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.368 8.191 -3.820 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.020 10.407 -3.672 1.00 28.37 O ATOM 0 H ASP A 52 0.262 10.079 -2.891 1.00 12.71 H new ATOM 0 HA ASP A 52 0.663 7.484 -3.883 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.175 10.080 -5.360 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.656 8.453 -5.803 1.00 21.05 H new ATOM 840 N GLY A 53 2.583 9.681 -5.335 1.00 15.00 N ATOM 841 CA GLY A 53 3.775 9.834 -6.165 1.00 11.77 C ATOM 842 C GLY A 53 5.121 9.623 -5.573 1.00 11.10 C ATOM 843 O GLY A 53 6.093 9.612 -6.324 1.00 11.25 O ATOM 0 H GLY A 53 2.229 10.568 -4.976 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.677 9.145 -7.004 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.756 10.843 -6.578 1.00 11.77 H new ATOM 847 N ARG A 54 5.247 9.351 -4.246 1.00 8.53 N ATOM 848 CA ARG A 54 6.509 8.919 -3.710 1.00 9.05 C ATOM 849 C ARG A 54 6.787 7.471 -3.894 1.00 8.96 C ATOM 850 O ARG A 54 5.882 6.638 -4.092 1.00 11.60 O ATOM 851 CB ARG A 54 6.708 9.382 -2.188 1.00 7.97 C ATOM 852 CG ARG A 54 5.902 10.594 -1.730 1.00 9.62 C ATOM 853 CD ARG A 54 6.331 11.265 -0.459 1.00 12.20 C ATOM 854 NE ARG A 54 5.400 12.405 -0.162 1.00 18.23 N ATOM 855 CZ ARG A 54 5.224 12.958 1.079 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.024 12.610 2.049 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.220 13.789 1.284 1.00 23.38 N ATOM 0 H ARG A 54 4.492 9.429 -3.564 1.00 8.53 H new ATOM 0 HA ARG A 54 7.261 9.430 -4.311 1.00 9.05 H new ATOM 0 HB2 ARG A 54 6.456 8.542 -1.541 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.765 9.598 -2.033 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.926 11.336 -2.528 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.863 10.284 -1.614 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.323 10.550 0.364 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.353 11.631 -0.554 1.00 12.20 H new ATOM 0 HE ARG A 54 4.862 12.794 -0.937 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.769 11.934 1.878 1.00 25.50 H new ATOM 0 HH12 ARG A 54 5.905 13.014 2.978 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.582 14.016 0.521 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.082 14.205 2.205 1.00 23.38 H new ATOM 871 N THR A 55 8.043 7.103 -3.947 1.00 9.05 N ATOM 872 CA THR A 55 8.465 5.695 -4.099 1.00 9.03 C ATOM 873 C THR A 55 8.633 4.923 -2.832 1.00 8.15 C ATOM 874 O THR A 55 8.390 5.417 -1.720 1.00 5.91 O ATOM 875 CB THR A 55 9.761 5.532 -4.943 1.00 11.15 C ATOM 876 OG1 THR A 55 10.903 6.104 -4.270 1.00 11.95 O ATOM 877 CG2 THR A 55 9.678 6.159 -6.337 1.00 11.71 C ATOM 0 H THR A 55 8.821 7.760 -3.887 1.00 9.05 H new ATOM 0 HA THR A 55 7.612 5.268 -4.627 1.00 9.03 H new ATOM 0 HB THR A 55 9.875 4.454 -5.059 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.943 7.066 -4.453 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.620 6.003 -6.863 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.868 5.693 -6.898 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.487 7.228 -6.244 1.00 11.71 H new ATOM 885 N LEU A 56 8.950 3.631 -2.992 1.00 6.91 N ATOM 886 CA LEU A 56 9.146 2.802 -1.798 1.00 8.29 C ATOM 887 C LEU A 56 10.428 3.125 -1.104 1.00 8.05 C ATOM 888 O LEU A 56 10.515 3.263 0.129 1.00 10.17 O ATOM 889 CB LEU A 56 9.062 1.291 -2.174 1.00 6.60 C ATOM 890 CG LEU A 56 7.712 0.815 -2.771 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.541 -0.743 -2.660 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.487 1.486 -2.190 1.00 8.64 C ATOM 0 H LEU A 56 9.071 3.157 -3.887 1.00 6.91 H new ATOM 0 HA LEU A 56 8.345 3.026 -1.093 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.852 1.071 -2.892 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.270 0.702 -1.281 1.00 6.60 H new ATOM 0 HG LEU A 56 7.772 1.115 -3.817 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.583 -1.035 -3.089 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.347 -1.237 -3.202 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.574 -1.039 -1.611 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.592 1.088 -2.669 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.440 1.293 -1.118 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.544 2.561 -2.363 1.00 8.64 H new ATOM 904 N SER A 57 11.492 3.419 -1.905 1.00 8.92 N ATOM 905 CA SER A 57 12.788 3.762 -1.387 1.00 9.00 C ATOM 906 C SER A 57 12.690 5.064 -0.629 1.00 9.44 C ATOM 907 O SER A 57 13.298 5.251 0.412 1.00 10.91 O ATOM 908 CB SER A 57 13.901 3.836 -2.475 1.00 10.32 C ATOM 909 OG SER A 57 15.215 3.699 -1.831 1.00 13.59 O ATOM 0 H SER A 57 11.443 3.416 -2.924 1.00 8.92 H new ATOM 0 HA SER A 57 13.091 2.956 -0.719 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.759 3.045 -3.212 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.842 4.784 -3.010 1.00 10.32 H new ATOM 0 HG SER A 57 15.919 3.743 -2.511 1.00 13.59 H new ATOM 915 N ASP A 58 11.943 6.087 -1.152 1.00 9.11 N ATOM 916 CA ASP A 58 11.670 7.322 -0.453 1.00 7.91 C ATOM 917 C ASP A 58 11.016 7.176 0.899 1.00 9.12 C ATOM 918 O ASP A 58 11.221 7.960 1.846 1.00 8.61 O ATOM 919 CB ASP A 58 10.803 8.225 -1.303 1.00 8.41 C ATOM 920 CG ASP A 58 11.519 8.737 -2.530 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.659 9.279 -2.437 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.954 8.616 -3.660 1.00 11.70 O ATOM 0 H ASP A 58 11.524 6.047 -2.081 1.00 9.11 H new ATOM 0 HA ASP A 58 12.656 7.750 -0.273 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.910 7.680 -1.610 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.470 9.071 -0.703 1.00 8.41 H new ATOM 927 N TYR A 59 10.086 6.258 1.080 1.00 7.97 N ATOM 928 CA TYR A 59 9.410 6.017 2.353 1.00 8.45 C ATOM 929 C TYR A 59 10.159 5.061 3.243 1.00 10.98 C ATOM 930 O TYR A 59 9.633 4.724 4.322 1.00 12.95 O ATOM 931 CB TYR A 59 7.916 5.640 2.061 1.00 7.94 C ATOM 932 CG TYR A 59 7.186 6.946 1.963 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.072 7.812 3.090 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.272 7.158 0.939 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.065 8.822 3.175 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.329 8.137 0.985 1.00 6.52 C ATOM 937 CZ TYR A 59 5.169 8.898 2.124 1.00 6.76 C ATOM 938 OH TYR A 59 4.056 9.734 2.212 1.00 7.63 O ATOM 0 H TYR A 59 9.768 5.642 0.332 1.00 7.97 H new ATOM 0 HA TYR A 59 9.401 6.928 2.951 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.828 5.071 1.136 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.505 5.019 2.857 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.770 7.701 3.907 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.312 6.519 0.070 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.006 9.493 4.019 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.702 8.319 0.125 1.00 6.52 H new ATOM 0 HH TYR A 59 4.166 10.490 1.599 1.00 7.63 H new ATOM 948 N ASN A 60 11.357 4.583 2.845 1.00 12.38 N ATOM 949 CA ASN A 60 12.198 3.724 3.680 1.00 13.94 C ATOM 950 C ASN A 60 11.548 2.311 3.911 1.00 14.16 C ATOM 951 O ASN A 60 11.586 1.647 4.966 1.00 14.26 O ATOM 952 CB ASN A 60 12.567 4.296 5.054 1.00 19.23 C ATOM 953 CG ASN A 60 13.101 5.736 5.044 1.00 22.65 C ATOM 954 OD1 ASN A 60 12.525 6.683 5.634 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.164 5.977 4.324 1.00 24.09 N ATOM 0 H ASN A 60 11.762 4.787 1.931 1.00 12.38 H new ATOM 0 HA ASN A 60 13.117 3.649 3.099 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.685 4.257 5.694 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.319 3.650 5.508 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.521 6.929 4.244 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.637 5.213 3.842 1.00 24.09 H new ATOM 962 N ILE A 61 10.949 1.743 2.823 1.00 11.08 N ATOM 963 CA ILE A 61 10.285 0.418 2.830 1.00 11.78 C ATOM 964 C ILE A 61 11.387 -0.559 2.361 1.00 13.74 C ATOM 965 O ILE A 61 12.148 -0.230 1.448 1.00 14.60 O ATOM 966 CB ILE A 61 8.936 0.411 2.034 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.835 1.318 2.654 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.423 -1.032 1.787 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.588 1.704 1.775 1.00 11.42 C ATOM 0 H ILE A 61 10.917 2.202 1.913 1.00 11.08 H new ATOM 0 HA ILE A 61 9.925 0.109 3.811 1.00 11.78 H new ATOM 0 HB ILE A 61 9.166 0.855 1.065 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.465 0.822 3.552 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.312 2.244 2.975 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.485 -0.995 1.232 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.163 -1.588 1.212 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.259 -1.529 2.743 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.917 2.338 2.354 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.921 2.243 0.888 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.061 0.799 1.473 1.00 11.42 H new ATOM 981 N GLN A 62 11.512 -1.732 2.973 1.00 13.97 N ATOM 982 CA GLN A 62 12.544 -2.744 2.713 1.00 15.52 C ATOM 983 C GLN A 62 11.863 -4.118 2.599 1.00 13.94 C ATOM 984 O GLN A 62 10.690 -4.298 3.013 1.00 12.15 O ATOM 985 CB GLN A 62 13.616 -2.749 3.826 1.00 19.53 C ATOM 986 CG GLN A 62 14.512 -1.501 3.919 1.00 26.38 C ATOM 987 CD GLN A 62 15.463 -1.561 5.131 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.273 -2.274 6.124 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.484 -0.723 5.019 1.00 32.71 N ATOM 0 H GLN A 62 10.863 -2.023 3.704 1.00 13.97 H new ATOM 0 HA GLN A 62 13.056 -2.509 1.780 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.113 -2.881 4.784 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.256 -3.619 3.680 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.097 -1.406 3.004 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.887 -0.611 3.992 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.591 -0.159 4.176 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.163 -0.642 5.776 1.00 32.71 H new ATOM 998 N LYS A 63 12.610 -5.069 2.089 1.00 11.73 N ATOM 999 CA LYS A 63 12.237 -6.428 1.826 1.00 11.97 C ATOM 1000 C LYS A 63 11.676 -7.170 3.070 1.00 10.41 C ATOM 1001 O LYS A 63 12.208 -7.238 4.134 1.00 9.59 O ATOM 1002 CB LYS A 63 13.376 -7.170 1.177 1.00 13.73 C ATOM 1003 CG LYS A 63 14.614 -7.524 1.995 1.00 16.98 C ATOM 1004 CD LYS A 63 15.302 -8.715 1.426 1.00 20.19 C ATOM 1005 CE LYS A 63 16.748 -8.825 1.773 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.839 -9.085 3.244 1.00 25.97 N ATOM 0 H LYS A 63 13.579 -4.889 1.826 1.00 11.73 H new ATOM 0 HA LYS A 63 11.405 -6.400 1.123 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.973 -8.101 0.778 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.708 -6.576 0.325 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.299 -6.676 2.011 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.328 -7.723 3.028 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.790 -9.613 1.772 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.204 -8.690 0.341 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.217 -9.633 1.211 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.276 -7.908 1.512 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.829 -9.268 3.504 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.492 -8.255 3.765 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.259 -9.913 3.487 1.00 25.97 H new ATOM 1020 N GLU A 64 10.486 -7.828 2.813 1.00 10.04 N ATOM 1021 CA GLU A 64 9.735 -8.653 3.759 1.00 10.94 C ATOM 1022 C GLU A 64 9.149 -7.853 4.836 1.00 9.74 C ATOM 1023 O GLU A 64 8.967 -8.286 5.955 1.00 9.42 O ATOM 1024 CB GLU A 64 10.505 -9.918 4.201 1.00 18.31 C ATOM 1025 CG GLU A 64 10.980 -10.715 2.993 1.00 24.16 C ATOM 1026 CD GLU A 64 11.887 -11.876 3.334 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.351 -12.026 4.501 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.191 -12.662 2.399 1.00 32.61 O ATOM 0 H GLU A 64 10.033 -7.777 1.900 1.00 10.04 H new ATOM 0 HA GLU A 64 8.874 -9.064 3.231 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.361 -9.632 4.813 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.862 -10.541 4.823 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.110 -11.094 2.457 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.506 -10.045 2.314 1.00 24.16 H new ATOM 1035 N SER A 65 8.768 -6.605 4.509 1.00 6.85 N ATOM 1036 CA SER A 65 8.134 -5.640 5.416 1.00 6.90 C ATOM 1037 C SER A 65 6.603 -5.602 5.202 1.00 4.72 C ATOM 1038 O SER A 65 6.073 -5.633 4.092 1.00 3.91 O ATOM 1039 CB SER A 65 8.775 -4.227 5.292 1.00 7.28 C ATOM 1040 OG SER A 65 8.471 -3.367 6.398 1.00 10.56 O ATOM 0 H SER A 65 8.900 -6.230 3.570 1.00 6.85 H new ATOM 0 HA SER A 65 8.313 -5.976 6.437 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.857 -4.332 5.209 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.429 -3.758 4.371 1.00 7.28 H new ATOM 0 HG SER A 65 8.902 -2.497 6.264 1.00 10.56 H new ATOM 1046 N THR A 66 5.873 -5.488 6.371 1.00 4.48 N ATOM 1047 CA THR A 66 4.417 -5.476 6.412 1.00 3.80 C ATOM 1048 C THR A 66 3.997 -4.021 6.333 1.00 4.60 C ATOM 1049 O THR A 66 4.329 -3.213 7.196 1.00 5.33 O ATOM 1050 CB THR A 66 3.818 -6.137 7.642 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.257 -7.516 7.704 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.276 -6.162 7.547 1.00 3.40 C ATOM 0 H THR A 66 6.307 -5.404 7.290 1.00 4.48 H new ATOM 0 HA THR A 66 4.041 -6.067 5.577 1.00 3.80 H new ATOM 0 HB THR A 66 4.136 -5.573 8.519 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.874 -7.946 8.497 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.864 -6.639 8.436 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.899 -5.142 7.475 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.975 -6.723 6.662 1.00 3.40 H new ATOM 1060 N LEU A 67 3.270 -3.688 5.267 1.00 4.17 N ATOM 1061 CA LEU A 67 2.710 -2.353 5.200 1.00 3.85 C ATOM 1062 C LEU A 67 1.261 -2.446 5.659 1.00 3.80 C ATOM 1063 O LEU A 67 0.613 -3.442 5.473 1.00 5.54 O ATOM 1064 CB LEU A 67 2.844 -1.782 3.783 1.00 7.18 C ATOM 1065 CG LEU A 67 4.244 -1.822 3.155 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.241 -1.399 1.669 1.00 8.12 C ATOM 1067 CD2 LEU A 67 5.231 -1.028 3.981 1.00 11.66 C ATOM 0 H LEU A 67 3.065 -4.297 4.475 1.00 4.17 H new ATOM 0 HA LEU A 67 3.249 -1.665 5.851 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.162 -2.327 3.130 1.00 7.18 H new ATOM 0 HB3 LEU A 67 2.508 -0.745 3.800 1.00 7.18 H new ATOM 0 HG LEU A 67 4.573 -2.861 3.163 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.256 -1.446 1.275 1.00 8.12 H new ATOM 0 HD12 LEU A 67 3.600 -2.073 1.100 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.864 -0.380 1.582 1.00 8.12 H new ATOM 0 HD21 LEU A 67 6.215 -1.073 3.514 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.904 0.010 4.040 1.00 11.66 H new ATOM 0 HD23 LEU A 67 5.286 -1.448 4.985 1.00 11.66 H new ATOM 1079 N HIS A 68 0.652 -1.422 6.217 1.00 2.94 N ATOM 1080 CA HIS A 68 -0.695 -1.499 6.731 1.00 4.17 C ATOM 1081 C HIS A 68 -1.612 -0.810 5.786 1.00 5.32 C ATOM 1082 O HIS A 68 -1.233 0.069 4.972 1.00 7.70 O ATOM 1083 CB HIS A 68 -0.825 -0.844 8.174 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.251 -1.642 9.314 1.00 9.95 C ATOM 1085 ND1 HIS A 68 1.068 -1.954 9.337 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.846 -2.223 10.370 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.189 -2.836 10.363 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.060 -3.063 11.008 1.00 16.30 N ATOM 0 H HIS A 68 1.084 -0.504 6.327 1.00 2.94 H new ATOM 0 HA HIS A 68 -0.960 -2.552 6.827 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.335 0.130 8.155 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -1.881 -0.666 8.377 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.869 -2.062 10.676 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.124 -3.308 10.627 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.107 -3.701 11.786 1.00 16.30 H new ATOM 1096 N LEU A 69 -2.841 -1.356 5.712 1.00 5.29 N ATOM 1097 CA LEU A 69 -3.924 -0.958 4.827 1.00 3.97 C ATOM 1098 C LEU A 69 -5.218 -0.798 5.535 1.00 5.07 C ATOM 1099 O LEU A 69 -5.715 -1.684 6.236 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.099 -1.896 3.609 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.224 -1.644 2.612 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.125 -0.372 1.884 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.279 -2.729 1.577 1.00 9.96 C ATOM 0 H LEU A 69 -3.109 -2.136 6.312 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.620 0.018 4.449 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.162 -1.883 3.052 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.227 -2.908 3.994 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.120 -1.618 3.231 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.967 -0.279 1.198 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.142 0.455 2.593 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.193 -0.347 1.320 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.090 -2.525 0.878 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.334 -2.763 1.035 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.453 -3.688 2.064 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.812 0.430 5.420 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.097 0.755 5.937 1.00 6.26 C ATOM 1117 C VAL A 70 -8.032 1.229 4.757 1.00 9.22 C ATOM 1118 O VAL A 70 -7.660 1.983 3.829 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.180 1.745 7.069 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.206 1.301 8.166 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.804 3.157 6.634 1.00 8.54 C ATOM 0 H VAL A 70 -5.363 1.213 4.945 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.424 -0.178 6.397 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.211 1.768 7.422 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.249 2.005 8.997 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.482 0.307 8.517 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.193 1.276 7.765 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.880 3.833 7.486 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.781 3.161 6.257 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.482 3.488 5.847 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.354 0.806 4.835 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.185 0.811 3.662 1.00 16.06 C ATOM 1133 C LEU A 71 -11.509 1.555 3.753 1.00 18.09 C ATOM 1134 O LEU A 71 -12.309 1.442 4.657 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.636 -0.674 3.381 1.00 17.10 C ATOM 1136 CG LEU A 71 -9.419 -1.562 2.937 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -9.898 -3.113 2.829 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -8.794 -1.128 1.558 1.00 19.57 C ATOM 0 H LEU A 71 -9.809 0.477 5.687 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.564 1.301 2.912 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.089 -1.095 4.278 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.400 -0.684 2.604 1.00 17.10 H new ATOM 0 HG LEU A 71 -8.646 -1.433 3.695 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -9.056 -3.733 2.521 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -10.261 -3.450 3.800 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -10.698 -3.196 2.094 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -7.959 -1.785 1.314 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.551 -1.199 0.777 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.439 -0.100 1.627 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.782 2.351 2.721 1.00 21.47 N ATOM 1151 CA ARG A 72 -12.962 3.084 2.686 1.00 25.83 C ATOM 1152 C ARG A 72 -13.919 2.277 1.823 1.00 27.74 C ATOM 1153 O ARG A 72 -15.023 2.731 1.544 1.00 30.65 O ATOM 1154 CB ARG A 72 -12.713 4.454 2.009 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.959 5.442 2.964 1.00 31.79 C ATOM 1156 CD ARG A 72 -11.838 6.746 2.205 1.00 34.05 C ATOM 1157 NE ARG A 72 -11.218 7.749 3.102 1.00 35.08 N ATOM 1158 CZ ARG A 72 -10.766 8.916 2.617 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -10.433 9.044 1.343 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -10.836 9.958 3.394 1.00 35.02 N ATOM 0 H ARG A 72 -11.173 2.478 1.913 1.00 21.47 H new ATOM 0 HA ARG A 72 -13.351 3.261 3.688 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -12.130 4.310 1.099 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -13.666 4.891 1.711 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.510 5.582 3.894 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -10.976 5.053 3.231 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -11.231 6.610 1.310 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -12.820 7.086 1.875 1.00 34.05 H new ATOM 0 HE ARG A 72 -11.134 7.550 4.099 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -10.518 8.248 0.711 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -10.091 9.939 0.993 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -11.224 9.869 4.333 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -10.503 10.864 3.064 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.529 1.044 1.438 1.00 28.93 N ATOM 1175 CA LEU A 73 -14.277 0.092 0.566 1.00 30.76 C ATOM 1176 C LEU A 73 -15.732 -0.213 1.024 1.00 32.18 C ATOM 1177 O LEU A 73 -16.715 0.077 0.312 1.00 32.31 O ATOM 1178 CB LEU A 73 -13.362 -1.210 0.551 1.00 30.53 C ATOM 1179 CG LEU A 73 -13.856 -2.466 -0.112 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -13.795 -2.472 -1.676 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -13.091 -3.670 0.483 1.00 29.11 C ATOM 0 H LEU A 73 -12.635 0.657 1.740 1.00 28.93 H new ATOM 0 HA LEU A 73 -14.437 0.520 -0.423 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -12.420 -0.940 0.073 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -13.134 -1.458 1.588 1.00 30.53 H new ATOM 0 HG LEU A 73 -14.923 -2.531 0.102 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -14.174 -3.423 -2.051 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -14.406 -1.658 -2.067 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -12.763 -2.339 -2.000 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -13.438 -4.590 0.012 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -12.023 -3.549 0.300 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -13.272 -3.721 1.557 1.00 29.11 H new ATOM 1193 N ARG A 74 -15.896 -0.619 2.264 1.00 33.82 N ATOM 1194 CA ARG A 74 -17.183 -0.953 2.786 1.00 35.33 C ATOM 1195 C ARG A 74 -17.533 0.165 3.848 1.00 36.22 C ATOM 1196 O ARG A 74 -18.375 -0.072 4.735 1.00 36.70 O ATOM 1197 CB ARG A 74 -17.184 -2.424 3.458 1.00 36.91 C ATOM 1198 CG ARG A 74 -16.751 -3.554 2.430 1.00 38.62 C ATOM 1199 CD ARG A 74 -17.582 -3.589 1.163 1.00 39.75 C ATOM 1200 NE ARG A 74 -16.959 -4.582 0.195 1.00 41.13 N ATOM 1201 CZ ARG A 74 -17.297 -4.627 -1.098 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -18.096 -3.652 -1.611 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -16.820 -5.625 -1.847 1.00 41.93 N ATOM 0 H ARG A 74 -15.133 -0.724 2.932 1.00 33.82 H new ATOM 0 HA ARG A 74 -17.930 -0.987 1.993 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -16.506 -2.432 4.311 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -18.180 -2.646 3.841 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -15.705 -3.405 2.162 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -16.818 -4.524 2.923 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -18.608 -3.878 1.392 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -17.624 -2.598 0.712 1.00 39.75 H new ATOM 0 HE ARG A 74 -16.259 -5.237 0.544 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -18.430 -2.898 -1.011 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -18.361 -3.675 -2.596 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -16.213 -6.330 -1.430 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -17.063 -5.682 -2.836 1.00 41.93 H new ATOM 1217 N GLY A 75 -16.869 1.359 3.862 1.00 36.31 N ATOM 1218 CA GLY A 75 -16.933 2.436 4.824 1.00 36.07 C ATOM 1219 C GLY A 75 -15.648 2.392 5.767 1.00 36.16 C ATOM 1220 O GLY A 75 -15.370 1.307 6.243 1.00 36.26 O ATOM 0 H GLY A 75 -16.217 1.586 3.111 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -16.985 3.395 4.308 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -17.839 2.348 5.423 1.00 36.07 H new ATOM 1224 N GLY A 76 -14.952 3.544 5.983 1.00 36.05 N ATOM 1225 CA GLY A 76 -13.737 3.627 6.795 1.00 36.19 C ATOM 1226 C GLY A 76 -13.523 5.136 7.164 1.00 36.20 C ATOM 1227 O GLY A 76 -14.225 5.717 7.981 1.00 0.00 O ATOM 1228 OXT GLY A 76 -12.441 5.653 6.701 1.00 0.00 O ATOM 0 H GLY A 76 -15.234 4.441 5.588 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -13.835 3.022 7.696 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -12.880 3.241 6.244 1.00 36.19 H new TER 1232 GLY A 76