USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 847 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 LYS NZ :NH3+ 152:sc= -0.696! (180deg=-2.02) USER MOD Set 1.2: A 67 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 79 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.345) USER MOD Single : A 1 GLY N :NH3+ 152:sc= 0.0515 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -177:sc= 1.09 (180deg=1.02) USER MOD Single : A 12 GLN : amide:sc= -0.0948 X(o=-0.095,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0481) USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.12 K(o=-0.12,f=-4.3!) USER MOD Single : A 17 CYS SG : rot 52:sc= 0.116 USER MOD Single : A 18 HIS : no HE2:sc= 0.734 K(o=0.73,f=-2.3!) USER MOD Single : A 19 THR OG1 : rot 170:sc= 1.11 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0.709 K(o=0.71,f=-2.3!) USER MOD Single : A 33 HIS : no HD1:sc= -0.0484 X(o=-0.048,f=-0.044) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 133:sc= 1.45 USER MOD Single : A 42 GLN : amide:sc= -0.0262 K(o=-0.026,f=-1.3) USER MOD Single : A 47 THR OG1 : rot 54:sc= 0.569 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.123 X(o=-0.12,f=-0.46) USER MOD Single : A 53 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0622) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 170:sc= -0.0152 (180deg=-0.224) USER MOD Single : A 70 ASN : amide:sc= -0.544 K(o=-0.54,f=-1.9) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot -2:sc= 0.734 USER MOD Single : A 78 THR OG1 : rot 84:sc= 0.421 USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 144:sc= 1.24 (180deg=-0.689) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0508 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -165:sc= 1.02 (180deg=0.603) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -72:sc= 1.26 USER MOD Single : A 103 ASN : amide:sc= -0.0405 K(o=-0.041,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.391 -4.544 -15.539 1.00 10.00 N ATOM 2 CA GLY A 1 -4.030 -4.412 -15.049 1.00 10.00 C ATOM 3 C GLY A 1 -3.350 -5.761 -15.253 1.00 10.00 C ATOM 4 O GLY A 1 -3.945 -6.792 -14.948 1.00 10.00 O ATOM 0 H1 GLY A 1 -6.010 -3.883 -15.027 1.00 10.00 H new ATOM 0 H2 GLY A 1 -5.417 -4.326 -16.555 1.00 10.00 H new ATOM 0 H3 GLY A 1 -5.722 -5.518 -15.386 1.00 10.00 H new ATOM 0 HA2 GLY A 1 -3.500 -3.627 -15.589 1.00 10.00 H new ATOM 0 HA3 GLY A 1 -4.025 -4.133 -13.995 1.00 10.00 H new ATOM 10 N ASP A 2 -2.175 -5.750 -15.862 1.00 10.00 N ATOM 11 CA ASP A 2 -1.307 -6.905 -16.051 1.00 10.00 C ATOM 12 C ASP A 2 -0.868 -7.459 -14.688 1.00 10.00 C ATOM 13 O ASP A 2 -0.214 -6.764 -13.917 1.00 10.00 O ATOM 14 CB ASP A 2 -0.091 -6.462 -16.872 1.00 10.00 C ATOM 15 CG ASP A 2 0.801 -7.616 -17.296 1.00 10.00 C ATOM 16 OD1 ASP A 2 0.865 -8.596 -16.524 1.00 10.00 O ATOM 17 OD2 ASP A 2 1.479 -7.476 -18.333 1.00 10.00 O ATOM 0 H ASP A 2 -1.781 -4.896 -16.257 1.00 10.00 H new ATOM 0 HA ASP A 2 -1.838 -7.696 -16.580 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -0.435 -5.932 -17.760 1.00 10.00 H new ATOM 0 HB3 ASP A 2 0.496 -5.755 -16.286 1.00 10.00 H new ATOM 22 N VAL A 3 -1.212 -8.712 -14.382 1.00 10.00 N ATOM 23 CA VAL A 3 -0.776 -9.380 -13.159 1.00 10.00 C ATOM 24 C VAL A 3 0.731 -9.665 -13.200 1.00 10.00 C ATOM 25 O VAL A 3 1.406 -9.550 -12.178 1.00 10.00 O ATOM 26 CB VAL A 3 -1.601 -10.666 -12.956 1.00 10.00 C ATOM 27 CG1 VAL A 3 -1.110 -11.495 -11.760 1.00 10.00 C ATOM 28 CG2 VAL A 3 -3.079 -10.315 -12.732 1.00 10.00 C ATOM 0 H VAL A 3 -1.802 -9.291 -14.979 1.00 10.00 H new ATOM 0 HA VAL A 3 -0.949 -8.724 -12.305 1.00 10.00 H new ATOM 0 HB VAL A 3 -1.478 -11.262 -13.860 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -1.724 -12.390 -11.661 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -0.071 -11.784 -11.920 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -1.185 -10.900 -10.850 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -3.653 -11.231 -12.590 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -3.174 -9.686 -11.847 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -3.461 -9.779 -13.600 1.00 10.00 H new ATOM 38 N GLU A 4 1.267 -10.047 -14.361 1.00 10.00 N ATOM 39 CA GLU A 4 2.681 -10.349 -14.517 1.00 10.00 C ATOM 40 C GLU A 4 3.472 -9.063 -14.314 1.00 10.00 C ATOM 41 O GLU A 4 4.334 -8.978 -13.436 1.00 10.00 O ATOM 42 CB GLU A 4 2.950 -10.939 -15.912 1.00 10.00 C ATOM 43 CG GLU A 4 3.081 -12.467 -15.888 1.00 10.00 C ATOM 44 CD GLU A 4 4.500 -12.878 -15.521 1.00 10.00 C ATOM 45 OE1 GLU A 4 5.028 -12.313 -14.537 1.00 10.00 O ATOM 46 OE2 GLU A 4 5.107 -13.668 -16.270 1.00 10.00 O ATOM 0 H GLU A 4 0.726 -10.154 -15.219 1.00 10.00 H new ATOM 0 HA GLU A 4 2.989 -11.089 -13.779 1.00 10.00 H new ATOM 0 HB2 GLU A 4 2.140 -10.658 -16.584 1.00 10.00 H new ATOM 0 HB3 GLU A 4 3.865 -10.505 -16.316 1.00 10.00 H new ATOM 0 HG2 GLU A 4 2.378 -12.886 -15.169 1.00 10.00 H new ATOM 0 HG3 GLU A 4 2.820 -12.875 -16.864 1.00 10.00 H new ATOM 53 N LYS A 5 3.175 -8.039 -15.114 1.00 10.00 N ATOM 54 CA LYS A 5 3.838 -6.764 -14.920 1.00 10.00 C ATOM 55 C LYS A 5 3.578 -6.249 -13.513 1.00 10.00 C ATOM 56 O LYS A 5 4.523 -5.840 -12.857 1.00 10.00 O ATOM 57 CB LYS A 5 3.584 -5.735 -16.021 1.00 10.00 C ATOM 58 CG LYS A 5 4.513 -5.946 -17.225 1.00 10.00 C ATOM 59 CD LYS A 5 5.256 -4.636 -17.530 1.00 10.00 C ATOM 60 CE LYS A 5 6.495 -4.916 -18.381 1.00 10.00 C ATOM 61 NZ LYS A 5 7.230 -3.678 -18.712 1.00 10.00 N ATOM 0 H LYS A 5 2.500 -8.070 -15.878 1.00 10.00 H new ATOM 0 HA LYS A 5 4.909 -6.943 -15.016 1.00 10.00 H new ATOM 0 HB2 LYS A 5 2.546 -5.801 -16.347 1.00 10.00 H new ATOM 0 HB3 LYS A 5 3.730 -4.732 -15.621 1.00 10.00 H new ATOM 0 HG2 LYS A 5 5.227 -6.741 -17.013 1.00 10.00 H new ATOM 0 HG3 LYS A 5 3.935 -6.260 -18.094 1.00 10.00 H new ATOM 0 HD2 LYS A 5 4.594 -3.948 -18.055 1.00 10.00 H new ATOM 0 HD3 LYS A 5 5.548 -4.150 -16.599 1.00 10.00 H new ATOM 0 HE2 LYS A 5 7.156 -5.598 -17.846 1.00 10.00 H new ATOM 0 HE3 LYS A 5 6.197 -5.418 -19.302 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 8.063 -3.912 -19.290 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 6.608 -3.037 -19.245 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 7.537 -3.212 -17.835 1.00 10.00 H new ATOM 75 N GLY A 6 2.352 -6.337 -13.003 1.00 10.00 N ATOM 76 CA GLY A 6 2.054 -5.978 -11.627 1.00 10.00 C ATOM 77 C GLY A 6 2.987 -6.651 -10.615 1.00 10.00 C ATOM 78 O GLY A 6 3.478 -6.001 -9.690 1.00 10.00 O ATOM 0 H GLY A 6 1.542 -6.659 -13.533 1.00 10.00 H new ATOM 0 HA2 GLY A 6 2.127 -4.896 -11.516 1.00 10.00 H new ATOM 0 HA3 GLY A 6 1.024 -6.253 -11.401 1.00 10.00 H new ATOM 82 N LYS A 7 3.238 -7.954 -10.785 1.00 10.00 N ATOM 83 CA LYS A 7 4.080 -8.740 -9.910 1.00 10.00 C ATOM 84 C LYS A 7 5.474 -8.141 -9.943 1.00 10.00 C ATOM 85 O LYS A 7 6.048 -7.809 -8.906 1.00 10.00 O ATOM 86 CB LYS A 7 4.059 -10.198 -10.393 1.00 10.00 C ATOM 87 CG LYS A 7 4.844 -11.156 -9.495 1.00 10.00 C ATOM 88 CD LYS A 7 4.769 -12.565 -10.104 1.00 10.00 C ATOM 89 CE LYS A 7 4.783 -13.638 -9.009 1.00 10.00 C ATOM 90 NZ LYS A 7 4.630 -14.999 -9.566 1.00 10.00 N ATOM 0 H LYS A 7 2.846 -8.494 -11.557 1.00 10.00 H new ATOM 0 HA LYS A 7 3.726 -8.728 -8.879 1.00 10.00 H new ATOM 0 HB2 LYS A 7 3.025 -10.536 -10.453 1.00 10.00 H new ATOM 0 HB3 LYS A 7 4.468 -10.243 -11.402 1.00 10.00 H new ATOM 0 HG2 LYS A 7 5.882 -10.833 -9.413 1.00 10.00 H new ATOM 0 HG3 LYS A 7 4.429 -11.156 -8.487 1.00 10.00 H new ATOM 0 HD2 LYS A 7 3.861 -12.660 -10.700 1.00 10.00 H new ATOM 0 HD3 LYS A 7 5.611 -12.718 -10.779 1.00 10.00 H new ATOM 0 HE2 LYS A 7 5.719 -13.577 -8.453 1.00 10.00 H new ATOM 0 HE3 LYS A 7 3.978 -13.444 -8.300 1.00 10.00 H new ATOM 0 HZ1 LYS A 7 4.645 -15.694 -8.793 1.00 10.00 H new ATOM 0 HZ2 LYS A 7 3.725 -15.066 -10.075 1.00 10.00 H new ATOM 0 HZ3 LYS A 7 5.412 -15.195 -10.223 1.00 10.00 H new ATOM 104 N LYS A 8 6.016 -7.992 -11.151 1.00 10.00 N ATOM 105 CA LYS A 8 7.358 -7.467 -11.296 1.00 10.00 C ATOM 106 C LYS A 8 7.436 -6.044 -10.727 1.00 10.00 C ATOM 107 O LYS A 8 8.349 -5.733 -9.970 1.00 10.00 O ATOM 108 CB LYS A 8 7.835 -7.560 -12.753 1.00 10.00 C ATOM 109 CG LYS A 8 8.446 -8.926 -13.122 1.00 10.00 C ATOM 110 CD LYS A 8 7.524 -10.125 -12.849 1.00 10.00 C ATOM 111 CE LYS A 8 7.953 -11.389 -13.613 1.00 10.00 C ATOM 112 NZ LYS A 8 7.419 -11.414 -14.991 1.00 10.00 N ATOM 0 H LYS A 8 5.549 -8.226 -12.027 1.00 10.00 H new ATOM 0 HA LYS A 8 8.046 -8.081 -10.715 1.00 10.00 H new ATOM 0 HB2 LYS A 8 6.993 -7.359 -13.415 1.00 10.00 H new ATOM 0 HB3 LYS A 8 8.575 -6.781 -12.933 1.00 10.00 H new ATOM 0 HG2 LYS A 8 8.710 -8.919 -14.179 1.00 10.00 H new ATOM 0 HG3 LYS A 8 9.372 -9.060 -12.563 1.00 10.00 H new ATOM 0 HD2 LYS A 8 7.517 -10.337 -11.780 1.00 10.00 H new ATOM 0 HD3 LYS A 8 6.503 -9.865 -13.129 1.00 10.00 H new ATOM 0 HE2 LYS A 8 9.041 -11.441 -13.645 1.00 10.00 H new ATOM 0 HE3 LYS A 8 7.608 -12.272 -13.075 1.00 10.00 H new ATOM 0 HZ1 LYS A 8 7.690 -12.306 -15.452 1.00 10.00 H new ATOM 0 HZ2 LYS A 8 6.382 -11.340 -14.963 1.00 10.00 H new ATOM 0 HZ3 LYS A 8 7.809 -10.614 -15.529 1.00 10.00 H new ATOM 126 N ILE A 9 6.467 -5.187 -11.052 1.00 10.00 N ATOM 127 CA ILE A 9 6.386 -3.818 -10.582 1.00 10.00 C ATOM 128 C ILE A 9 6.455 -3.810 -9.061 1.00 10.00 C ATOM 129 O ILE A 9 7.319 -3.147 -8.501 1.00 10.00 O ATOM 130 CB ILE A 9 5.110 -3.149 -11.135 1.00 10.00 C ATOM 131 CG1 ILE A 9 5.267 -2.861 -12.641 1.00 10.00 C ATOM 132 CG2 ILE A 9 4.779 -1.837 -10.415 1.00 10.00 C ATOM 133 CD1 ILE A 9 3.935 -2.481 -13.297 1.00 10.00 C ATOM 0 H ILE A 9 5.696 -5.442 -11.669 1.00 10.00 H new ATOM 0 HA ILE A 9 7.228 -3.231 -10.949 1.00 10.00 H new ATOM 0 HB ILE A 9 4.292 -3.849 -10.964 1.00 10.00 H new ATOM 0 HG12 ILE A 9 5.984 -2.052 -12.782 1.00 10.00 H new ATOM 0 HG13 ILE A 9 5.677 -3.741 -13.137 1.00 10.00 H new ATOM 0 HG21 ILE A 9 3.873 -1.406 -10.841 1.00 10.00 H new ATOM 0 HG22 ILE A 9 4.623 -2.033 -9.354 1.00 10.00 H new ATOM 0 HG23 ILE A 9 5.605 -1.137 -10.537 1.00 10.00 H new ATOM 0 HD11 ILE A 9 4.094 -2.287 -14.358 1.00 10.00 H new ATOM 0 HD12 ILE A 9 3.225 -3.300 -13.180 1.00 10.00 H new ATOM 0 HD13 ILE A 9 3.537 -1.585 -12.820 1.00 10.00 H new ATOM 145 N PHE A 10 5.581 -4.554 -8.385 1.00 10.00 N ATOM 146 CA PHE A 10 5.598 -4.636 -6.931 1.00 10.00 C ATOM 147 C PHE A 10 7.019 -4.883 -6.398 1.00 10.00 C ATOM 148 O PHE A 10 7.489 -4.179 -5.500 1.00 10.00 O ATOM 149 CB PHE A 10 4.626 -5.730 -6.489 1.00 10.00 C ATOM 150 CG PHE A 10 4.577 -5.906 -4.991 1.00 10.00 C ATOM 151 CD1 PHE A 10 3.837 -5.006 -4.205 1.00 10.00 C ATOM 152 CD2 PHE A 10 5.325 -6.930 -4.379 1.00 10.00 C ATOM 153 CE1 PHE A 10 3.795 -5.162 -2.812 1.00 10.00 C ATOM 154 CE2 PHE A 10 5.283 -7.085 -2.985 1.00 10.00 C ATOM 155 CZ PHE A 10 4.503 -6.213 -2.209 1.00 10.00 C ATOM 0 H PHE A 10 4.849 -5.111 -8.827 1.00 10.00 H new ATOM 0 HA PHE A 10 5.277 -3.683 -6.510 1.00 10.00 H new ATOM 0 HB2 PHE A 10 3.627 -5.490 -6.854 1.00 10.00 H new ATOM 0 HB3 PHE A 10 4.916 -6.674 -6.951 1.00 10.00 H new ATOM 0 HD1 PHE A 10 3.301 -4.194 -4.674 1.00 10.00 H new ATOM 0 HD2 PHE A 10 5.929 -7.594 -4.980 1.00 10.00 H new ATOM 0 HE1 PHE A 10 3.221 -4.477 -2.206 1.00 10.00 H new ATOM 0 HE2 PHE A 10 5.849 -7.873 -2.510 1.00 10.00 H new ATOM 0 HZ PHE A 10 4.447 -6.352 -1.139 1.00 10.00 H new ATOM 165 N VAL A 11 7.716 -5.855 -6.994 1.00 10.00 N ATOM 166 CA VAL A 11 9.073 -6.236 -6.614 1.00 10.00 C ATOM 167 C VAL A 11 10.110 -5.177 -7.020 1.00 10.00 C ATOM 168 O VAL A 11 11.173 -5.078 -6.413 1.00 10.00 O ATOM 169 CB VAL A 11 9.410 -7.612 -7.212 1.00 10.00 C ATOM 170 CG1 VAL A 11 10.826 -8.065 -6.827 1.00 10.00 C ATOM 171 CG2 VAL A 11 8.408 -8.659 -6.718 1.00 10.00 C ATOM 0 H VAL A 11 7.344 -6.407 -7.767 1.00 10.00 H new ATOM 0 HA VAL A 11 9.115 -6.302 -5.527 1.00 10.00 H new ATOM 0 HB VAL A 11 9.355 -7.517 -8.297 1.00 10.00 H new ATOM 0 HG11 VAL A 11 11.028 -9.041 -7.268 1.00 10.00 H new ATOM 0 HG12 VAL A 11 11.553 -7.342 -7.198 1.00 10.00 H new ATOM 0 HG13 VAL A 11 10.904 -8.134 -5.742 1.00 10.00 H new ATOM 0 HG21 VAL A 11 8.655 -9.630 -7.147 1.00 10.00 H new ATOM 0 HG22 VAL A 11 8.453 -8.721 -5.631 1.00 10.00 H new ATOM 0 HG23 VAL A 11 7.402 -8.373 -7.024 1.00 10.00 H new ATOM 181 N GLN A 12 9.837 -4.405 -8.068 1.00 10.00 N ATOM 182 CA GLN A 12 10.747 -3.393 -8.587 1.00 10.00 C ATOM 183 C GLN A 12 10.471 -2.008 -7.996 1.00 10.00 C ATOM 184 O GLN A 12 11.272 -1.097 -8.195 1.00 10.00 O ATOM 185 CB GLN A 12 10.652 -3.389 -10.114 1.00 10.00 C ATOM 186 CG GLN A 12 11.159 -4.720 -10.697 1.00 10.00 C ATOM 187 CD GLN A 12 12.680 -4.793 -10.757 1.00 10.00 C ATOM 188 OE1 GLN A 12 13.280 -4.469 -11.775 1.00 10.00 O ATOM 189 NE2 GLN A 12 13.319 -5.230 -9.675 1.00 10.00 N ATOM 0 H GLN A 12 8.962 -4.468 -8.588 1.00 10.00 H new ATOM 0 HA GLN A 12 11.765 -3.642 -8.287 1.00 10.00 H new ATOM 0 HB2 GLN A 12 9.618 -3.224 -10.418 1.00 10.00 H new ATOM 0 HB3 GLN A 12 11.239 -2.563 -10.517 1.00 10.00 H new ATOM 0 HG2 GLN A 12 10.783 -5.544 -10.091 1.00 10.00 H new ATOM 0 HG3 GLN A 12 10.753 -4.851 -11.700 1.00 10.00 H new ATOM 0 HE21 GLN A 12 12.791 -5.492 -8.842 1.00 10.00 H new ATOM 0 HE22 GLN A 12 14.336 -5.303 -9.678 1.00 10.00 H new ATOM 198 N LYS A 13 9.340 -1.833 -7.306 1.00 10.00 N ATOM 199 CA LYS A 13 8.922 -0.559 -6.745 1.00 10.00 C ATOM 200 C LYS A 13 8.869 -0.592 -5.217 1.00 10.00 C ATOM 201 O LYS A 13 9.364 0.340 -4.586 1.00 10.00 O ATOM 202 CB LYS A 13 7.558 -0.158 -7.318 1.00 10.00 C ATOM 203 CG LYS A 13 7.557 -0.001 -8.846 1.00 10.00 C ATOM 204 CD LYS A 13 8.495 1.071 -9.420 1.00 10.00 C ATOM 205 CE LYS A 13 8.406 2.412 -8.676 1.00 10.00 C ATOM 206 NZ LYS A 13 9.042 3.518 -9.426 1.00 10.00 N ATOM 0 H LYS A 13 8.682 -2.591 -7.122 1.00 10.00 H new ATOM 0 HA LYS A 13 9.667 0.186 -7.025 1.00 10.00 H new ATOM 0 HB2 LYS A 13 6.820 -0.909 -7.038 1.00 10.00 H new ATOM 0 HB3 LYS A 13 7.244 0.782 -6.864 1.00 10.00 H new ATOM 0 HG2 LYS A 13 7.823 -0.961 -9.289 1.00 10.00 H new ATOM 0 HG3 LYS A 13 6.540 0.227 -9.166 1.00 10.00 H new ATOM 0 HD2 LYS A 13 9.522 0.707 -9.378 1.00 10.00 H new ATOM 0 HD3 LYS A 13 8.255 1.229 -10.471 1.00 10.00 H new ATOM 0 HE2 LYS A 13 7.359 2.655 -8.495 1.00 10.00 H new ATOM 0 HE3 LYS A 13 8.884 2.316 -7.701 1.00 10.00 H new ATOM 0 HZ1 LYS A 13 9.169 4.336 -8.797 1.00 10.00 H new ATOM 0 HZ2 LYS A 13 9.969 3.208 -9.782 1.00 10.00 H new ATOM 0 HZ3 LYS A 13 8.436 3.788 -10.227 1.00 10.00 H new ATOM 220 N CYS A 14 8.231 -1.609 -4.624 1.00 10.00 N ATOM 221 CA CYS A 14 7.960 -1.645 -3.189 1.00 10.00 C ATOM 222 C CYS A 14 8.893 -2.671 -2.531 1.00 10.00 C ATOM 223 O CYS A 14 9.843 -2.287 -1.855 1.00 10.00 O ATOM 224 CB CYS A 14 6.487 -1.902 -2.909 1.00 10.00 C ATOM 225 SG CYS A 14 5.363 -1.273 -4.208 1.00 10.00 S ATOM 0 H CYS A 14 7.890 -2.427 -5.129 1.00 10.00 H new ATOM 0 HA CYS A 14 8.170 -0.671 -2.746 1.00 10.00 H new ATOM 0 HB2 CYS A 14 6.331 -2.975 -2.796 1.00 10.00 H new ATOM 0 HB3 CYS A 14 6.222 -1.439 -1.958 1.00 10.00 H new ATOM 0 HG CYS A 14 4.133 -1.540 -3.884 1.00 10.00 H new ATOM 230 N ALA A 15 8.636 -3.964 -2.761 1.00 10.00 N ATOM 231 CA ALA A 15 9.363 -5.129 -2.252 1.00 10.00 C ATOM 232 C ALA A 15 9.851 -5.030 -0.796 1.00 10.00 C ATOM 233 O ALA A 15 9.258 -5.604 0.112 1.00 10.00 O ATOM 234 CB ALA A 15 10.494 -5.503 -3.219 1.00 10.00 C ATOM 0 H ALA A 15 7.854 -4.242 -3.354 1.00 10.00 H new ATOM 0 HA ALA A 15 8.632 -5.936 -2.211 1.00 10.00 H new ATOM 0 HB1 ALA A 15 11.030 -6.370 -2.834 1.00 10.00 H new ATOM 0 HB2 ALA A 15 10.074 -5.741 -4.196 1.00 10.00 H new ATOM 0 HB3 ALA A 15 11.183 -4.664 -3.315 1.00 10.00 H new ATOM 240 N GLN A 16 10.962 -4.334 -0.552 1.00 10.00 N ATOM 241 CA GLN A 16 11.673 -4.274 0.716 1.00 10.00 C ATOM 242 C GLN A 16 10.967 -3.321 1.696 1.00 10.00 C ATOM 243 O GLN A 16 11.597 -2.468 2.312 1.00 10.00 O ATOM 244 CB GLN A 16 13.135 -3.883 0.399 1.00 10.00 C ATOM 245 CG GLN A 16 14.158 -4.935 0.845 1.00 10.00 C ATOM 246 CD GLN A 16 15.080 -4.411 1.942 1.00 10.00 C ATOM 247 OE1 GLN A 16 15.045 -4.885 3.076 1.00 10.00 O ATOM 248 NE2 GLN A 16 15.919 -3.436 1.604 1.00 10.00 N ATOM 0 H GLN A 16 11.410 -3.769 -1.274 1.00 10.00 H new ATOM 0 HA GLN A 16 11.675 -5.238 1.226 1.00 10.00 H new ATOM 0 HB2 GLN A 16 13.235 -3.722 -0.674 1.00 10.00 H new ATOM 0 HB3 GLN A 16 13.364 -2.935 0.887 1.00 10.00 H new ATOM 0 HG2 GLN A 16 13.633 -5.820 1.205 1.00 10.00 H new ATOM 0 HG3 GLN A 16 14.755 -5.245 -0.012 1.00 10.00 H new ATOM 0 HE21 GLN A 16 15.918 -3.069 0.652 1.00 10.00 H new ATOM 0 HE22 GLN A 16 16.564 -3.055 2.297 1.00 10.00 H new ATOM 257 N CYS A 17 9.656 -3.510 1.846 1.00 10.00 N ATOM 258 CA CYS A 17 8.720 -2.653 2.570 1.00 10.00 C ATOM 259 C CYS A 17 7.299 -3.235 2.573 1.00 10.00 C ATOM 260 O CYS A 17 6.501 -2.830 3.411 1.00 10.00 O ATOM 261 CB CYS A 17 8.654 -1.263 1.983 1.00 10.00 C ATOM 262 SG CYS A 17 9.664 -0.062 2.920 1.00 10.00 S ATOM 0 H CYS A 17 9.190 -4.320 1.437 1.00 10.00 H new ATOM 0 HA CYS A 17 9.100 -2.601 3.590 1.00 10.00 H new ATOM 0 HB2 CYS A 17 8.996 -1.292 0.948 1.00 10.00 H new ATOM 0 HB3 CYS A 17 7.617 -0.927 1.967 1.00 10.00 H new ATOM 0 HG CYS A 17 10.873 -0.521 3.051 1.00 10.00 H new ATOM 267 N HIS A 18 6.914 -4.103 1.628 1.00 10.00 N ATOM 268 CA HIS A 18 5.663 -4.818 1.704 1.00 10.00 C ATOM 269 C HIS A 18 5.858 -6.162 1.051 1.00 10.00 C ATOM 270 O HIS A 18 6.599 -6.280 0.080 1.00 10.00 O ATOM 271 CB HIS A 18 4.590 -4.103 0.905 1.00 10.00 C ATOM 272 CG HIS A 18 4.019 -2.918 1.608 1.00 10.00 C ATOM 273 ND1 HIS A 18 3.063 -2.922 2.600 1.00 10.00 N ATOM 274 CD2 HIS A 18 4.219 -1.635 1.206 1.00 10.00 C ATOM 275 CE1 HIS A 18 2.666 -1.645 2.747 1.00 10.00 C ATOM 276 NE2 HIS A 18 3.351 -0.824 1.925 1.00 10.00 N ATOM 0 H HIS A 18 7.468 -4.319 0.799 1.00 10.00 H new ATOM 0 HA HIS A 18 5.365 -4.895 2.750 1.00 10.00 H new ATOM 0 HB2 HIS A 18 5.010 -3.783 -0.049 1.00 10.00 H new ATOM 0 HB3 HIS A 18 3.787 -4.805 0.680 1.00 10.00 H new ATOM 0 HD1 HIS A 18 2.724 -3.732 3.119 1.00 10.00 H new ATOM 0 HD2 HIS A 18 4.927 -1.305 0.460 1.00 10.00 H new ATOM 0 HE1 HIS A 18 1.899 -1.320 3.434 1.00 10.00 H new ATOM 284 N THR A 19 5.103 -7.136 1.537 1.00 10.00 N ATOM 285 CA THR A 19 5.227 -8.508 1.103 1.00 10.00 C ATOM 286 C THR A 19 3.946 -9.014 0.437 1.00 10.00 C ATOM 287 O THR A 19 4.012 -9.854 -0.453 1.00 10.00 O ATOM 288 CB THR A 19 5.644 -9.308 2.332 1.00 10.00 C ATOM 289 OG1 THR A 19 6.827 -8.738 2.863 1.00 10.00 O ATOM 290 CG2 THR A 19 5.878 -10.753 1.936 1.00 10.00 C ATOM 0 H THR A 19 4.385 -6.990 2.247 1.00 10.00 H new ATOM 0 HA THR A 19 5.981 -8.618 0.324 1.00 10.00 H new ATOM 0 HB THR A 19 4.861 -9.280 3.089 1.00 10.00 H new ATOM 0 HG1 THR A 19 7.019 -9.138 3.737 1.00 10.00 H new ATOM 0 HG21 THR A 19 6.176 -11.327 2.813 1.00 10.00 H new ATOM 0 HG22 THR A 19 4.959 -11.171 1.524 1.00 10.00 H new ATOM 0 HG23 THR A 19 6.667 -10.801 1.185 1.00 10.00 H new ATOM 298 N VAL A 20 2.790 -8.493 0.864 1.00 10.00 N ATOM 299 CA VAL A 20 1.463 -8.856 0.379 1.00 10.00 C ATOM 300 C VAL A 20 1.221 -10.365 0.442 1.00 10.00 C ATOM 301 O VAL A 20 0.432 -10.874 -0.342 1.00 10.00 O ATOM 302 CB VAL A 20 1.127 -8.237 -1.000 1.00 10.00 C ATOM 303 CG1 VAL A 20 1.180 -6.705 -0.965 1.00 10.00 C ATOM 304 CG2 VAL A 20 1.972 -8.743 -2.173 1.00 10.00 C ATOM 0 H VAL A 20 2.758 -7.776 1.589 1.00 10.00 H new ATOM 0 HA VAL A 20 0.750 -8.405 1.069 1.00 10.00 H new ATOM 0 HB VAL A 20 0.109 -8.578 -1.187 1.00 10.00 H new ATOM 0 HG11 VAL A 20 0.938 -6.310 -1.952 1.00 10.00 H new ATOM 0 HG12 VAL A 20 0.458 -6.332 -0.238 1.00 10.00 H new ATOM 0 HG13 VAL A 20 2.181 -6.382 -0.680 1.00 10.00 H new ATOM 0 HG21 VAL A 20 1.656 -8.246 -3.090 1.00 10.00 H new ATOM 0 HG22 VAL A 20 3.023 -8.524 -1.986 1.00 10.00 H new ATOM 0 HG23 VAL A 20 1.840 -9.820 -2.279 1.00 10.00 H new ATOM 314 N GLU A 21 1.839 -11.066 1.400 1.00 10.00 N ATOM 315 CA GLU A 21 1.530 -12.458 1.675 1.00 10.00 C ATOM 316 C GLU A 21 1.753 -12.774 3.153 1.00 10.00 C ATOM 317 O GLU A 21 2.146 -11.890 3.922 1.00 10.00 O ATOM 318 CB GLU A 21 2.290 -13.412 0.740 1.00 10.00 C ATOM 319 CG GLU A 21 3.809 -13.418 0.975 1.00 10.00 C ATOM 320 CD GLU A 21 4.471 -14.746 0.618 1.00 10.00 C ATOM 321 OE1 GLU A 21 3.874 -15.794 0.945 1.00 10.00 O ATOM 322 OE2 GLU A 21 5.586 -14.684 0.059 1.00 10.00 O ATOM 0 H GLU A 21 2.565 -10.677 2.001 1.00 10.00 H new ATOM 0 HA GLU A 21 0.473 -12.620 1.465 1.00 10.00 H new ATOM 0 HB2 GLU A 21 1.905 -14.423 0.874 1.00 10.00 H new ATOM 0 HB3 GLU A 21 2.091 -13.130 -0.294 1.00 10.00 H new ATOM 0 HG2 GLU A 21 4.264 -12.623 0.384 1.00 10.00 H new ATOM 0 HG3 GLU A 21 4.008 -13.191 2.022 1.00 10.00 H new ATOM 329 N LYS A 22 1.489 -14.017 3.566 1.00 10.00 N ATOM 330 CA LYS A 22 1.761 -14.441 4.929 1.00 10.00 C ATOM 331 C LYS A 22 3.273 -14.623 5.120 1.00 10.00 C ATOM 332 O LYS A 22 4.039 -14.606 4.164 1.00 10.00 O ATOM 333 CB LYS A 22 1.005 -15.736 5.273 1.00 10.00 C ATOM 334 CG LYS A 22 0.428 -15.667 6.696 1.00 10.00 C ATOM 335 CD LYS A 22 0.215 -17.068 7.281 1.00 10.00 C ATOM 336 CE LYS A 22 -0.559 -17.036 8.609 1.00 10.00 C ATOM 337 NZ LYS A 22 0.158 -16.313 9.683 1.00 10.00 N ATOM 0 H LYS A 22 1.087 -14.742 2.971 1.00 10.00 H new ATOM 0 HA LYS A 22 1.407 -13.668 5.611 1.00 10.00 H new ATOM 0 HB2 LYS A 22 0.199 -15.894 4.556 1.00 10.00 H new ATOM 0 HB3 LYS A 22 1.678 -16.589 5.189 1.00 10.00 H new ATOM 0 HG2 LYS A 22 1.104 -15.102 7.338 1.00 10.00 H new ATOM 0 HG3 LYS A 22 -0.520 -15.129 6.680 1.00 10.00 H new ATOM 0 HD2 LYS A 22 -0.328 -17.681 6.561 1.00 10.00 H new ATOM 0 HD3 LYS A 22 1.183 -17.544 7.439 1.00 10.00 H new ATOM 0 HE2 LYS A 22 -1.528 -16.564 8.446 1.00 10.00 H new ATOM 0 HE3 LYS A 22 -0.753 -18.058 8.934 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 -0.414 -16.326 10.552 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 1.072 -16.776 9.863 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 0.320 -15.328 9.390 1.00 10.00 H new ATOM 351 N GLY A 23 3.727 -14.791 6.366 1.00 10.00 N ATOM 352 CA GLY A 23 5.133 -15.051 6.656 1.00 10.00 C ATOM 353 C GLY A 23 6.059 -13.917 6.213 1.00 10.00 C ATOM 354 O GLY A 23 7.278 -14.078 6.223 1.00 10.00 O ATOM 0 H GLY A 23 3.132 -14.750 7.194 1.00 10.00 H new ATOM 0 HA2 GLY A 23 5.253 -15.212 7.727 1.00 10.00 H new ATOM 0 HA3 GLY A 23 5.435 -15.973 6.160 1.00 10.00 H new ATOM 358 N GLY A 24 5.513 -12.746 5.867 1.00 10.00 N ATOM 359 CA GLY A 24 6.211 -11.778 5.037 1.00 10.00 C ATOM 360 C GLY A 24 7.240 -10.921 5.773 1.00 10.00 C ATOM 361 O GLY A 24 7.539 -9.813 5.336 1.00 10.00 O ATOM 0 H GLY A 24 4.580 -12.451 6.156 1.00 10.00 H new ATOM 0 HA2 GLY A 24 6.714 -12.310 4.229 1.00 10.00 H new ATOM 0 HA3 GLY A 24 5.475 -11.120 4.575 1.00 10.00 H new ATOM 365 N LYS A 25 7.767 -11.429 6.889 1.00 10.00 N ATOM 366 CA LYS A 25 8.824 -10.843 7.707 1.00 10.00 C ATOM 367 C LYS A 25 8.580 -9.374 8.076 1.00 10.00 C ATOM 368 O LYS A 25 9.528 -8.641 8.357 1.00 10.00 O ATOM 369 CB LYS A 25 10.183 -11.081 7.024 1.00 10.00 C ATOM 370 CG LYS A 25 10.559 -12.573 7.009 1.00 10.00 C ATOM 371 CD LYS A 25 11.500 -12.912 8.174 1.00 10.00 C ATOM 372 CE LYS A 25 11.597 -14.433 8.369 1.00 10.00 C ATOM 373 NZ LYS A 25 12.750 -14.819 9.210 1.00 10.00 N ATOM 0 H LYS A 25 7.444 -12.319 7.268 1.00 10.00 H new ATOM 0 HA LYS A 25 8.825 -11.350 8.672 1.00 10.00 H new ATOM 0 HB2 LYS A 25 10.147 -10.704 6.002 1.00 10.00 H new ATOM 0 HB3 LYS A 25 10.956 -10.516 7.545 1.00 10.00 H new ATOM 0 HG2 LYS A 25 9.656 -13.180 7.077 1.00 10.00 H new ATOM 0 HG3 LYS A 25 11.040 -12.821 6.063 1.00 10.00 H new ATOM 0 HD2 LYS A 25 12.491 -12.501 7.979 1.00 10.00 H new ATOM 0 HD3 LYS A 25 11.136 -12.445 9.089 1.00 10.00 H new ATOM 0 HE2 LYS A 25 10.678 -14.798 8.827 1.00 10.00 H new ATOM 0 HE3 LYS A 25 11.682 -14.917 7.396 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 12.774 -15.854 9.313 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 13.631 -14.495 8.761 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 12.658 -14.380 10.148 1.00 10.00 H new ATOM 387 N HIS A 26 7.308 -8.970 8.139 1.00 10.00 N ATOM 388 CA HIS A 26 6.868 -7.609 8.405 1.00 10.00 C ATOM 389 C HIS A 26 7.439 -6.645 7.353 1.00 10.00 C ATOM 390 O HIS A 26 6.747 -6.329 6.395 1.00 10.00 O ATOM 391 CB HIS A 26 7.154 -7.208 9.864 1.00 10.00 C ATOM 392 CG HIS A 26 6.807 -8.287 10.866 1.00 10.00 C ATOM 393 ND1 HIS A 26 7.708 -9.129 11.479 1.00 10.00 N ATOM 394 CD2 HIS A 26 5.555 -8.651 11.282 1.00 10.00 C ATOM 395 CE1 HIS A 26 7.009 -9.981 12.249 1.00 10.00 C ATOM 396 NE2 HIS A 26 5.693 -9.734 12.157 1.00 10.00 N ATOM 0 H HIS A 26 6.529 -9.614 7.999 1.00 10.00 H new ATOM 0 HA HIS A 26 5.784 -7.549 8.304 1.00 10.00 H new ATOM 0 HB2 HIS A 26 8.210 -6.957 9.963 1.00 10.00 H new ATOM 0 HB3 HIS A 26 6.589 -6.307 10.102 1.00 10.00 H new ATOM 0 HD2 HIS A 26 4.626 -8.185 10.987 1.00 10.00 H new ATOM 0 HE1 HIS A 26 7.447 -10.758 12.858 1.00 10.00 H new ATOM 0 HE2 HIS A 26 4.942 -10.236 12.631 1.00 10.00 H new ATOM 404 N LYS A 27 8.703 -6.233 7.509 1.00 10.00 N ATOM 405 CA LYS A 27 9.436 -5.337 6.619 1.00 10.00 C ATOM 406 C LYS A 27 8.747 -3.974 6.464 1.00 10.00 C ATOM 407 O LYS A 27 8.127 -3.706 5.449 1.00 10.00 O ATOM 408 CB LYS A 27 9.705 -6.004 5.262 1.00 10.00 C ATOM 409 CG LYS A 27 10.486 -7.320 5.409 1.00 10.00 C ATOM 410 CD LYS A 27 11.509 -7.485 4.274 1.00 10.00 C ATOM 411 CE LYS A 27 12.741 -6.573 4.419 1.00 10.00 C ATOM 412 NZ LYS A 27 13.684 -7.022 5.464 1.00 10.00 N ATOM 0 H LYS A 27 9.268 -6.534 8.303 1.00 10.00 H new ATOM 0 HA LYS A 27 10.401 -5.138 7.085 1.00 10.00 H new ATOM 0 HB2 LYS A 27 8.757 -6.200 4.760 1.00 10.00 H new ATOM 0 HB3 LYS A 27 10.266 -5.319 4.627 1.00 10.00 H new ATOM 0 HG2 LYS A 27 10.999 -7.337 6.371 1.00 10.00 H new ATOM 0 HG3 LYS A 27 9.792 -8.161 5.403 1.00 10.00 H new ATOM 0 HD2 LYS A 27 11.838 -8.524 4.240 1.00 10.00 H new ATOM 0 HD3 LYS A 27 11.021 -7.274 3.322 1.00 10.00 H new ATOM 0 HE2 LYS A 27 13.264 -6.527 3.464 1.00 10.00 H new ATOM 0 HE3 LYS A 27 12.409 -5.561 4.650 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 14.489 -6.366 5.510 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 13.200 -7.040 6.384 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 14.028 -7.976 5.235 1.00 10.00 H new ATOM 426 N THR A 28 8.922 -3.097 7.452 1.00 10.00 N ATOM 427 CA THR A 28 8.329 -1.766 7.571 1.00 10.00 C ATOM 428 C THR A 28 6.832 -1.699 7.257 1.00 10.00 C ATOM 429 O THR A 28 6.042 -1.587 8.189 1.00 10.00 O ATOM 430 CB THR A 28 9.163 -0.676 6.876 1.00 10.00 C ATOM 431 OG1 THR A 28 10.508 -0.795 7.283 1.00 10.00 O ATOM 432 CG2 THR A 28 8.654 0.718 7.227 1.00 10.00 C ATOM 0 H THR A 28 9.524 -3.314 8.246 1.00 10.00 H new ATOM 0 HA THR A 28 8.372 -1.538 8.636 1.00 10.00 H new ATOM 0 HB THR A 28 9.077 -0.811 5.798 1.00 10.00 H new ATOM 0 HG1 THR A 28 11.045 -0.104 6.842 1.00 10.00 H new ATOM 0 HG21 THR A 28 9.264 1.466 6.721 1.00 10.00 H new ATOM 0 HG22 THR A 28 7.617 0.818 6.907 1.00 10.00 H new ATOM 0 HG23 THR A 28 8.717 0.868 8.305 1.00 10.00 H new ATOM 440 N GLY A 29 6.409 -1.704 5.992 1.00 10.00 N ATOM 441 CA GLY A 29 4.986 -1.704 5.700 1.00 10.00 C ATOM 442 C GLY A 29 4.419 -3.064 6.083 1.00 10.00 C ATOM 443 O GLY A 29 5.119 -4.065 5.981 1.00 10.00 O ATOM 0 H GLY A 29 7.019 -1.708 5.175 1.00 10.00 H new ATOM 0 HA2 GLY A 29 4.484 -0.913 6.257 1.00 10.00 H new ATOM 0 HA3 GLY A 29 4.816 -1.506 4.642 1.00 10.00 H new ATOM 447 N PRO A 30 3.170 -3.139 6.558 1.00 10.00 N ATOM 448 CA PRO A 30 2.603 -4.411 6.945 1.00 10.00 C ATOM 449 C PRO A 30 2.587 -5.351 5.737 1.00 10.00 C ATOM 450 O PRO A 30 2.396 -4.924 4.592 1.00 10.00 O ATOM 451 CB PRO A 30 1.212 -4.103 7.507 1.00 10.00 C ATOM 452 CG PRO A 30 0.867 -2.720 6.949 1.00 10.00 C ATOM 453 CD PRO A 30 2.227 -2.053 6.742 1.00 10.00 C ATOM 0 HA PRO A 30 3.185 -4.928 7.708 1.00 10.00 H new ATOM 0 HB2 PRO A 30 0.483 -4.850 7.193 1.00 10.00 H new ATOM 0 HB3 PRO A 30 1.217 -4.101 8.597 1.00 10.00 H new ATOM 0 HG2 PRO A 30 0.313 -2.794 6.013 1.00 10.00 H new ATOM 0 HG3 PRO A 30 0.246 -2.153 7.643 1.00 10.00 H new ATOM 0 HD2 PRO A 30 2.213 -1.395 5.873 1.00 10.00 H new ATOM 0 HD3 PRO A 30 2.498 -1.440 7.602 1.00 10.00 H new ATOM 461 N ASN A 31 2.796 -6.644 6.000 1.00 10.00 N ATOM 462 CA ASN A 31 2.623 -7.671 4.994 1.00 10.00 C ATOM 463 C ASN A 31 1.133 -7.701 4.669 1.00 10.00 C ATOM 464 O ASN A 31 0.329 -8.177 5.466 1.00 10.00 O ATOM 465 CB ASN A 31 3.176 -9.020 5.477 1.00 10.00 C ATOM 466 CG ASN A 31 2.413 -9.603 6.664 1.00 10.00 C ATOM 467 OD1 ASN A 31 2.404 -9.016 7.743 1.00 10.00 O ATOM 468 ND2 ASN A 31 1.782 -10.760 6.482 1.00 10.00 N ATOM 0 H ASN A 31 3.087 -6.997 6.912 1.00 10.00 H new ATOM 0 HA ASN A 31 3.189 -7.456 4.088 1.00 10.00 H new ATOM 0 HB2 ASN A 31 3.147 -9.732 4.652 1.00 10.00 H new ATOM 0 HB3 ASN A 31 4.223 -8.896 5.754 1.00 10.00 H new ATOM 0 HD21 ASN A 31 1.269 -11.188 7.253 1.00 10.00 H new ATOM 0 HD22 ASN A 31 1.811 -11.219 5.572 1.00 10.00 H new ATOM 475 N LEU A 32 0.762 -7.091 3.543 1.00 10.00 N ATOM 476 CA LEU A 32 -0.619 -6.658 3.300 1.00 10.00 C ATOM 477 C LEU A 32 -1.545 -7.815 2.860 1.00 10.00 C ATOM 478 O LEU A 32 -2.324 -7.708 1.915 1.00 10.00 O ATOM 479 CB LEU A 32 -0.588 -5.470 2.305 1.00 10.00 C ATOM 480 CG LEU A 32 -0.656 -4.104 3.003 1.00 10.00 C ATOM 481 CD1 LEU A 32 -0.532 -3.024 1.919 1.00 10.00 C ATOM 482 CD2 LEU A 32 -1.961 -3.952 3.800 1.00 10.00 C ATOM 0 H LEU A 32 1.403 -6.883 2.777 1.00 10.00 H new ATOM 0 HA LEU A 32 -1.064 -6.318 4.235 1.00 10.00 H new ATOM 0 HB2 LEU A 32 0.324 -5.524 1.711 1.00 10.00 H new ATOM 0 HB3 LEU A 32 -1.425 -5.561 1.613 1.00 10.00 H new ATOM 0 HG LEU A 32 0.156 -4.006 3.723 1.00 10.00 H new ATOM 0 HD11 LEU A 32 -0.577 -2.038 2.381 1.00 10.00 H new ATOM 0 HD12 LEU A 32 0.419 -3.138 1.399 1.00 10.00 H new ATOM 0 HD13 LEU A 32 -1.350 -3.128 1.206 1.00 10.00 H new ATOM 0 HD21 LEU A 32 -1.981 -2.975 4.283 1.00 10.00 H new ATOM 0 HD22 LEU A 32 -2.812 -4.040 3.125 1.00 10.00 H new ATOM 0 HD23 LEU A 32 -2.017 -4.733 4.558 1.00 10.00 H new ATOM 494 N HIS A 33 -1.501 -8.922 3.595 1.00 10.00 N ATOM 495 CA HIS A 33 -2.170 -10.172 3.294 1.00 10.00 C ATOM 496 C HIS A 33 -3.645 -10.101 3.708 1.00 10.00 C ATOM 497 O HIS A 33 -4.088 -10.797 4.620 1.00 10.00 O ATOM 498 CB HIS A 33 -1.381 -11.264 4.016 1.00 10.00 C ATOM 499 CG HIS A 33 -1.857 -12.671 3.789 1.00 10.00 C ATOM 500 ND1 HIS A 33 -2.208 -13.257 2.595 1.00 10.00 N ATOM 501 CD2 HIS A 33 -1.957 -13.619 4.762 1.00 10.00 C ATOM 502 CE1 HIS A 33 -2.540 -14.534 2.858 1.00 10.00 C ATOM 503 NE2 HIS A 33 -2.391 -14.806 4.169 1.00 10.00 N ATOM 0 H HIS A 33 -0.967 -8.968 4.463 1.00 10.00 H new ATOM 0 HA HIS A 33 -2.188 -10.390 2.226 1.00 10.00 H new ATOM 0 HB2 HIS A 33 -0.338 -11.198 3.706 1.00 10.00 H new ATOM 0 HB3 HIS A 33 -1.409 -11.059 5.086 1.00 10.00 H new ATOM 0 HD2 HIS A 33 -1.739 -13.477 5.810 1.00 10.00 H new ATOM 0 HE1 HIS A 33 -2.880 -15.244 2.119 1.00 10.00 H new ATOM 0 HE2 HIS A 33 -2.561 -15.698 4.634 1.00 10.00 H new ATOM 511 N GLY A 34 -4.389 -9.214 3.047 1.00 10.00 N ATOM 512 CA GLY A 34 -5.823 -9.024 3.228 1.00 10.00 C ATOM 513 C GLY A 34 -6.182 -7.545 3.131 1.00 10.00 C ATOM 514 O GLY A 34 -6.893 -7.016 3.982 1.00 10.00 O ATOM 0 H GLY A 34 -3.993 -8.587 2.347 1.00 10.00 H new ATOM 0 HA2 GLY A 34 -6.369 -9.587 2.471 1.00 10.00 H new ATOM 0 HA3 GLY A 34 -6.128 -9.416 4.198 1.00 10.00 H new ATOM 518 N LEU A 35 -5.668 -6.871 2.098 1.00 10.00 N ATOM 519 CA LEU A 35 -5.816 -5.436 1.932 1.00 10.00 C ATOM 520 C LEU A 35 -7.246 -5.106 1.507 1.00 10.00 C ATOM 521 O LEU A 35 -7.946 -4.342 2.171 1.00 10.00 O ATOM 522 CB LEU A 35 -4.786 -4.959 0.894 1.00 10.00 C ATOM 523 CG LEU A 35 -4.776 -3.460 0.542 1.00 10.00 C ATOM 524 CD1 LEU A 35 -4.465 -2.539 1.724 1.00 10.00 C ATOM 525 CD2 LEU A 35 -3.726 -3.255 -0.549 1.00 10.00 C ATOM 0 H LEU A 35 -5.134 -7.317 1.352 1.00 10.00 H new ATOM 0 HA LEU A 35 -5.632 -4.918 2.873 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -3.794 -5.226 1.257 1.00 10.00 H new ATOM 0 HB3 LEU A 35 -4.951 -5.520 -0.026 1.00 10.00 H new ATOM 0 HG LEU A 35 -5.780 -3.190 0.216 1.00 10.00 H new ATOM 0 HD11 LEU A 35 -4.478 -1.502 1.390 1.00 10.00 H new ATOM 0 HD12 LEU A 35 -5.216 -2.679 2.502 1.00 10.00 H new ATOM 0 HD13 LEU A 35 -3.480 -2.780 2.123 1.00 10.00 H new ATOM 0 HD21 LEU A 35 -3.690 -2.201 -0.826 1.00 10.00 H new ATOM 0 HD22 LEU A 35 -2.750 -3.567 -0.178 1.00 10.00 H new ATOM 0 HD23 LEU A 35 -3.989 -3.851 -1.423 1.00 10.00 H new ATOM 537 N PHE A 36 -7.680 -5.701 0.392 1.00 10.00 N ATOM 538 CA PHE A 36 -8.971 -5.450 -0.239 1.00 10.00 C ATOM 539 C PHE A 36 -10.101 -6.152 0.513 1.00 10.00 C ATOM 540 O PHE A 36 -10.819 -6.972 -0.054 1.00 10.00 O ATOM 541 CB PHE A 36 -8.919 -5.900 -1.704 1.00 10.00 C ATOM 542 CG PHE A 36 -7.791 -5.265 -2.489 1.00 10.00 C ATOM 543 CD1 PHE A 36 -7.898 -3.938 -2.938 1.00 10.00 C ATOM 544 CD2 PHE A 36 -6.596 -5.972 -2.686 1.00 10.00 C ATOM 545 CE1 PHE A 36 -6.840 -3.345 -3.649 1.00 10.00 C ATOM 546 CE2 PHE A 36 -5.521 -5.363 -3.349 1.00 10.00 C ATOM 547 CZ PHE A 36 -5.653 -4.062 -3.865 1.00 10.00 C ATOM 0 H PHE A 36 -7.122 -6.392 -0.109 1.00 10.00 H new ATOM 0 HA PHE A 36 -9.179 -4.381 -0.204 1.00 10.00 H new ATOM 0 HB2 PHE A 36 -8.811 -6.984 -1.740 1.00 10.00 H new ATOM 0 HB3 PHE A 36 -9.867 -5.658 -2.184 1.00 10.00 H new ATOM 0 HD1 PHE A 36 -8.795 -3.372 -2.736 1.00 10.00 H new ATOM 0 HD2 PHE A 36 -6.504 -6.986 -2.327 1.00 10.00 H new ATOM 0 HE1 PHE A 36 -6.941 -2.339 -4.029 1.00 10.00 H new ATOM 0 HE2 PHE A 36 -4.588 -5.895 -3.464 1.00 10.00 H new ATOM 0 HZ PHE A 36 -4.844 -3.616 -4.425 1.00 10.00 H new ATOM 557 N GLY A 37 -10.258 -5.822 1.792 1.00 10.00 N ATOM 558 CA GLY A 37 -11.285 -6.380 2.653 1.00 10.00 C ATOM 559 C GLY A 37 -10.991 -6.026 4.105 1.00 10.00 C ATOM 560 O GLY A 37 -11.116 -6.870 4.988 1.00 10.00 O ATOM 0 H GLY A 37 -9.660 -5.144 2.264 1.00 10.00 H new ATOM 0 HA2 GLY A 37 -12.263 -5.993 2.366 1.00 10.00 H new ATOM 0 HA3 GLY A 37 -11.323 -7.463 2.534 1.00 10.00 H new ATOM 564 N ARG A 38 -10.590 -4.775 4.347 1.00 10.00 N ATOM 565 CA ARG A 38 -10.260 -4.245 5.656 1.00 10.00 C ATOM 566 C ARG A 38 -10.121 -2.735 5.516 1.00 10.00 C ATOM 567 O ARG A 38 -10.205 -2.201 4.407 1.00 10.00 O ATOM 568 CB ARG A 38 -8.985 -4.915 6.220 1.00 10.00 C ATOM 569 CG ARG A 38 -9.341 -5.803 7.424 1.00 10.00 C ATOM 570 CD ARG A 38 -8.440 -7.033 7.586 1.00 10.00 C ATOM 571 NE ARG A 38 -7.177 -6.761 8.297 1.00 10.00 N ATOM 572 CZ ARG A 38 -6.409 -7.735 8.818 1.00 10.00 C ATOM 573 NH1 ARG A 38 -6.718 -9.019 8.601 1.00 10.00 N ATOM 574 NH2 ARG A 38 -5.346 -7.426 9.563 1.00 10.00 N ATOM 0 H ARG A 38 -10.485 -4.085 3.603 1.00 10.00 H new ATOM 0 HA ARG A 38 -11.047 -4.466 6.377 1.00 10.00 H new ATOM 0 HB2 ARG A 38 -8.507 -5.514 5.445 1.00 10.00 H new ATOM 0 HB3 ARG A 38 -8.267 -4.152 6.521 1.00 10.00 H new ATOM 0 HG2 ARG A 38 -9.285 -5.203 8.333 1.00 10.00 H new ATOM 0 HG3 ARG A 38 -10.375 -6.134 7.324 1.00 10.00 H new ATOM 0 HD2 ARG A 38 -8.990 -7.805 8.125 1.00 10.00 H new ATOM 0 HD3 ARG A 38 -8.210 -7.435 6.599 1.00 10.00 H new ATOM 0 HE ARG A 38 -6.873 -5.793 8.398 1.00 10.00 H new ATOM 0 HH11 ARG A 38 -7.536 -9.259 8.041 1.00 10.00 H new ATOM 0 HH12 ARG A 38 -6.136 -9.757 8.996 1.00 10.00 H new ATOM 0 HH21 ARG A 38 -5.113 -6.449 9.739 1.00 10.00 H new ATOM 0 HH22 ARG A 38 -4.766 -8.167 9.956 1.00 10.00 H new ATOM 588 N LYS A 39 -9.952 -2.065 6.655 1.00 10.00 N ATOM 589 CA LYS A 39 -9.727 -0.635 6.748 1.00 10.00 C ATOM 590 C LYS A 39 -8.273 -0.386 7.127 1.00 10.00 C ATOM 591 O LYS A 39 -7.598 -1.301 7.590 1.00 10.00 O ATOM 592 CB LYS A 39 -10.699 -0.033 7.772 1.00 10.00 C ATOM 593 CG LYS A 39 -12.037 0.287 7.097 1.00 10.00 C ATOM 594 CD LYS A 39 -13.189 0.273 8.108 1.00 10.00 C ATOM 595 CE LYS A 39 -14.440 0.892 7.468 1.00 10.00 C ATOM 596 NZ LYS A 39 -15.674 0.573 8.216 1.00 10.00 N ATOM 0 H LYS A 39 -9.970 -2.524 7.566 1.00 10.00 H new ATOM 0 HA LYS A 39 -9.914 -0.151 5.789 1.00 10.00 H new ATOM 0 HB2 LYS A 39 -10.854 -0.732 8.593 1.00 10.00 H new ATOM 0 HB3 LYS A 39 -10.273 0.874 8.202 1.00 10.00 H new ATOM 0 HG2 LYS A 39 -11.981 1.265 6.620 1.00 10.00 H new ATOM 0 HG3 LYS A 39 -12.233 -0.441 6.310 1.00 10.00 H new ATOM 0 HD2 LYS A 39 -13.397 -0.749 8.424 1.00 10.00 H new ATOM 0 HD3 LYS A 39 -12.910 0.832 9.001 1.00 10.00 H new ATOM 0 HE2 LYS A 39 -14.320 1.974 7.416 1.00 10.00 H new ATOM 0 HE3 LYS A 39 -14.536 0.532 6.444 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 -16.490 1.013 7.744 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 -15.806 -0.458 8.245 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 -15.596 0.939 9.186 1.00 10.00 H new ATOM 610 N THR A 40 -7.813 0.848 6.919 1.00 10.00 N ATOM 611 CA THR A 40 -6.446 1.284 7.191 1.00 10.00 C ATOM 612 C THR A 40 -5.914 0.726 8.515 1.00 10.00 C ATOM 613 O THR A 40 -5.035 -0.133 8.554 1.00 10.00 O ATOM 614 CB THR A 40 -6.406 2.820 7.171 1.00 10.00 C ATOM 615 OG1 THR A 40 -7.218 3.384 8.190 1.00 10.00 O ATOM 616 CG2 THR A 40 -6.934 3.354 5.841 1.00 10.00 C ATOM 0 H THR A 40 -8.401 1.593 6.545 1.00 10.00 H new ATOM 0 HA THR A 40 -5.789 0.891 6.415 1.00 10.00 H new ATOM 0 HB THR A 40 -5.364 3.099 7.326 1.00 10.00 H new ATOM 0 HG1 THR A 40 -6.719 4.088 8.654 1.00 10.00 H new ATOM 0 HG21 THR A 40 -6.898 4.443 5.846 1.00 10.00 H new ATOM 0 HG22 THR A 40 -6.318 2.974 5.026 1.00 10.00 H new ATOM 0 HG23 THR A 40 -7.964 3.026 5.700 1.00 10.00 H new ATOM 624 N GLY A 41 -6.511 1.192 9.610 1.00 10.00 N ATOM 625 CA GLY A 41 -6.148 0.854 10.973 1.00 10.00 C ATOM 626 C GLY A 41 -6.600 -0.546 11.385 1.00 10.00 C ATOM 627 O GLY A 41 -7.266 -0.689 12.411 1.00 10.00 O ATOM 0 H GLY A 41 -7.294 1.843 9.563 1.00 10.00 H new ATOM 0 HA2 GLY A 41 -5.066 0.927 11.083 1.00 10.00 H new ATOM 0 HA3 GLY A 41 -6.587 1.585 11.651 1.00 10.00 H new ATOM 631 N GLN A 42 -6.247 -1.561 10.592 1.00 10.00 N ATOM 632 CA GLN A 42 -6.493 -2.974 10.859 1.00 10.00 C ATOM 633 C GLN A 42 -5.273 -3.796 10.433 1.00 10.00 C ATOM 634 O GLN A 42 -5.406 -4.780 9.701 1.00 10.00 O ATOM 635 CB GLN A 42 -7.743 -3.457 10.101 1.00 10.00 C ATOM 636 CG GLN A 42 -9.035 -2.719 10.471 1.00 10.00 C ATOM 637 CD GLN A 42 -9.494 -3.007 11.899 1.00 10.00 C ATOM 638 OE1 GLN A 42 -8.980 -3.897 12.569 1.00 10.00 O ATOM 639 NE2 GLN A 42 -10.500 -2.278 12.372 1.00 10.00 N ATOM 0 H GLN A 42 -5.761 -1.410 9.708 1.00 10.00 H new ATOM 0 HA GLN A 42 -6.665 -3.106 11.927 1.00 10.00 H new ATOM 0 HB2 GLN A 42 -7.569 -3.345 9.031 1.00 10.00 H new ATOM 0 HB3 GLN A 42 -7.880 -4.521 10.292 1.00 10.00 H new ATOM 0 HG2 GLN A 42 -8.882 -1.646 10.353 1.00 10.00 H new ATOM 0 HG3 GLN A 42 -9.824 -3.006 9.776 1.00 10.00 H new ATOM 0 HE21 GLN A 42 -10.912 -1.543 11.797 1.00 10.00 H new ATOM 0 HE22 GLN A 42 -10.860 -2.453 13.310 1.00 10.00 H new ATOM 648 N ALA A 43 -4.077 -3.408 10.881 1.00 10.00 N ATOM 649 CA ALA A 43 -2.846 -4.105 10.526 1.00 10.00 C ATOM 650 C ALA A 43 -2.642 -5.344 11.408 1.00 10.00 C ATOM 651 O ALA A 43 -3.096 -5.361 12.553 1.00 10.00 O ATOM 652 CB ALA A 43 -1.666 -3.151 10.675 1.00 10.00 C ATOM 0 H ALA A 43 -3.938 -2.606 11.496 1.00 10.00 H new ATOM 0 HA ALA A 43 -2.917 -4.440 9.491 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -0.744 -3.669 10.410 1.00 10.00 H new ATOM 0 HB2 ALA A 43 -1.804 -2.295 10.014 1.00 10.00 H new ATOM 0 HB3 ALA A 43 -1.605 -2.806 11.707 1.00 10.00 H new ATOM 658 N PRO A 44 -1.959 -6.390 10.913 1.00 10.00 N ATOM 659 CA PRO A 44 -1.677 -7.584 11.693 1.00 10.00 C ATOM 660 C PRO A 44 -0.576 -7.293 12.720 1.00 10.00 C ATOM 661 O PRO A 44 0.578 -7.673 12.530 1.00 10.00 O ATOM 662 CB PRO A 44 -1.267 -8.641 10.661 1.00 10.00 C ATOM 663 CG PRO A 44 -0.605 -7.811 9.560 1.00 10.00 C ATOM 664 CD PRO A 44 -1.424 -6.519 9.564 1.00 10.00 C ATOM 0 HA PRO A 44 -2.531 -7.931 12.275 1.00 10.00 H new ATOM 0 HB2 PRO A 44 -0.578 -9.372 11.084 1.00 10.00 H new ATOM 0 HB3 PRO A 44 -2.128 -9.194 10.286 1.00 10.00 H new ATOM 0 HG2 PRO A 44 0.447 -7.623 9.774 1.00 10.00 H new ATOM 0 HG3 PRO A 44 -0.649 -8.314 8.594 1.00 10.00 H new ATOM 0 HD2 PRO A 44 -0.802 -5.662 9.307 1.00 10.00 H new ATOM 0 HD3 PRO A 44 -2.227 -6.563 8.828 1.00 10.00 H new ATOM 672 N GLY A 45 -0.911 -6.590 13.805 1.00 10.00 N ATOM 673 CA GLY A 45 -0.016 -6.382 14.943 1.00 10.00 C ATOM 674 C GLY A 45 1.059 -5.320 14.697 1.00 10.00 C ATOM 675 O GLY A 45 1.431 -4.610 15.629 1.00 10.00 O ATOM 0 H GLY A 45 -1.822 -6.145 13.918 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -0.608 -6.092 15.811 1.00 10.00 H new ATOM 0 HA3 GLY A 45 0.469 -7.327 15.189 1.00 10.00 H new ATOM 679 N PHE A 46 1.553 -5.213 13.457 1.00 10.00 N ATOM 680 CA PHE A 46 2.397 -4.122 12.977 1.00 10.00 C ATOM 681 C PHE A 46 1.962 -2.774 13.588 1.00 10.00 C ATOM 682 O PHE A 46 0.767 -2.498 13.701 1.00 10.00 O ATOM 683 CB PHE A 46 2.315 -4.062 11.443 1.00 10.00 C ATOM 684 CG PHE A 46 2.676 -2.714 10.844 1.00 10.00 C ATOM 685 CD1 PHE A 46 4.021 -2.312 10.759 1.00 10.00 C ATOM 686 CD2 PHE A 46 1.659 -1.780 10.570 1.00 10.00 C ATOM 687 CE1 PHE A 46 4.334 -0.975 10.458 1.00 10.00 C ATOM 688 CE2 PHE A 46 1.979 -0.489 10.129 1.00 10.00 C ATOM 689 CZ PHE A 46 3.317 -0.071 10.113 1.00 10.00 C ATOM 0 H PHE A 46 1.366 -5.912 12.738 1.00 10.00 H new ATOM 0 HA PHE A 46 3.426 -4.309 13.285 1.00 10.00 H new ATOM 0 HB2 PHE A 46 2.979 -4.820 11.027 1.00 10.00 H new ATOM 0 HB3 PHE A 46 1.302 -4.322 11.136 1.00 10.00 H new ATOM 0 HD1 PHE A 46 4.812 -3.029 10.925 1.00 10.00 H new ATOM 0 HD2 PHE A 46 0.624 -2.061 10.701 1.00 10.00 H new ATOM 0 HE1 PHE A 46 5.361 -0.642 10.492 1.00 10.00 H new ATOM 0 HE2 PHE A 46 1.198 0.181 9.803 1.00 10.00 H new ATOM 0 HZ PHE A 46 3.565 0.943 9.836 1.00 10.00 H new ATOM 699 N THR A 47 2.927 -1.928 13.956 1.00 10.00 N ATOM 700 CA THR A 47 2.700 -0.642 14.593 1.00 10.00 C ATOM 701 C THR A 47 2.129 0.365 13.587 1.00 10.00 C ATOM 702 O THR A 47 2.897 1.062 12.925 1.00 10.00 O ATOM 703 CB THR A 47 4.051 -0.165 15.142 1.00 10.00 C ATOM 704 OG1 THR A 47 5.005 -0.242 14.100 1.00 10.00 O ATOM 705 CG2 THR A 47 4.528 -1.044 16.303 1.00 10.00 C ATOM 0 H THR A 47 3.916 -2.131 13.812 1.00 10.00 H new ATOM 0 HA THR A 47 1.972 -0.732 15.400 1.00 10.00 H new ATOM 0 HB THR A 47 3.937 0.855 15.508 1.00 10.00 H new ATOM 0 HG1 THR A 47 4.675 0.247 13.318 1.00 10.00 H new ATOM 0 HG21 THR A 47 5.488 -0.677 16.667 1.00 10.00 H new ATOM 0 HG22 THR A 47 3.796 -1.009 17.110 1.00 10.00 H new ATOM 0 HG23 THR A 47 4.640 -2.072 15.959 1.00 10.00 H new ATOM 713 N TYR A 48 0.800 0.446 13.490 1.00 10.00 N ATOM 714 CA TYR A 48 0.095 1.332 12.576 1.00 10.00 C ATOM 715 C TYR A 48 0.094 2.755 13.112 1.00 10.00 C ATOM 716 O TYR A 48 -0.031 2.960 14.320 1.00 10.00 O ATOM 717 CB TYR A 48 -1.333 0.824 12.329 1.00 10.00 C ATOM 718 CG TYR A 48 -2.119 0.483 13.585 1.00 10.00 C ATOM 719 CD1 TYR A 48 -2.755 1.496 14.328 1.00 10.00 C ATOM 720 CD2 TYR A 48 -2.125 -0.839 14.067 1.00 10.00 C ATOM 721 CE1 TYR A 48 -3.383 1.186 15.547 1.00 10.00 C ATOM 722 CE2 TYR A 48 -2.731 -1.143 15.296 1.00 10.00 C ATOM 723 CZ TYR A 48 -3.353 -0.128 16.040 1.00 10.00 C ATOM 724 OH TYR A 48 -3.939 -0.416 17.236 1.00 10.00 O ATOM 0 H TYR A 48 0.173 -0.120 14.062 1.00 10.00 H new ATOM 0 HA TYR A 48 0.616 1.337 11.619 1.00 10.00 H new ATOM 0 HB2 TYR A 48 -1.881 1.583 11.770 1.00 10.00 H new ATOM 0 HB3 TYR A 48 -1.283 -0.063 11.698 1.00 10.00 H new ATOM 0 HD1 TYR A 48 -2.760 2.512 13.961 1.00 10.00 H new ATOM 0 HD2 TYR A 48 -1.661 -1.624 13.488 1.00 10.00 H new ATOM 0 HE1 TYR A 48 -3.889 1.960 16.105 1.00 10.00 H new ATOM 0 HE2 TYR A 48 -2.719 -2.157 15.669 1.00 10.00 H new ATOM 0 HH TYR A 48 -3.830 -1.370 17.432 1.00 10.00 H new ATOM 734 N THR A 49 0.229 3.740 12.226 1.00 10.00 N ATOM 735 CA THR A 49 0.315 5.123 12.670 1.00 10.00 C ATOM 736 C THR A 49 -1.077 5.683 13.013 1.00 10.00 C ATOM 737 O THR A 49 -2.071 5.285 12.406 1.00 10.00 O ATOM 738 CB THR A 49 1.023 5.970 11.601 1.00 10.00 C ATOM 739 OG1 THR A 49 2.085 5.256 11.009 1.00 10.00 O ATOM 740 CG2 THR A 49 1.628 7.229 12.219 1.00 10.00 C ATOM 0 H THR A 49 0.280 3.607 11.216 1.00 10.00 H new ATOM 0 HA THR A 49 0.906 5.165 13.585 1.00 10.00 H new ATOM 0 HB THR A 49 0.269 6.225 10.856 1.00 10.00 H new ATOM 0 HG1 THR A 49 2.518 5.816 10.331 1.00 10.00 H new ATOM 0 HG21 THR A 49 2.124 7.813 11.444 1.00 10.00 H new ATOM 0 HG22 THR A 49 0.838 7.827 12.674 1.00 10.00 H new ATOM 0 HG23 THR A 49 2.354 6.947 12.981 1.00 10.00 H new ATOM 748 N ASP A 50 -1.159 6.645 13.943 1.00 10.00 N ATOM 749 CA ASP A 50 -2.406 7.331 14.286 1.00 10.00 C ATOM 750 C ASP A 50 -3.118 7.840 13.038 1.00 10.00 C ATOM 751 O ASP A 50 -4.255 7.464 12.779 1.00 10.00 O ATOM 752 CB ASP A 50 -2.144 8.496 15.248 1.00 10.00 C ATOM 753 CG ASP A 50 -1.999 8.008 16.679 1.00 10.00 C ATOM 754 OD1 ASP A 50 -3.041 7.615 17.246 1.00 10.00 O ATOM 755 OD2 ASP A 50 -0.849 8.028 17.164 1.00 10.00 O ATOM 0 H ASP A 50 -0.355 6.969 14.480 1.00 10.00 H new ATOM 0 HA ASP A 50 -3.051 6.605 14.780 1.00 10.00 H new ATOM 0 HB2 ASP A 50 -1.238 9.022 14.947 1.00 10.00 H new ATOM 0 HB3 ASP A 50 -2.963 9.212 15.187 1.00 10.00 H new ATOM 760 N ALA A 51 -2.454 8.697 12.258 1.00 10.00 N ATOM 761 CA ALA A 51 -3.041 9.293 11.061 1.00 10.00 C ATOM 762 C ALA A 51 -3.555 8.220 10.098 1.00 10.00 C ATOM 763 O ALA A 51 -4.647 8.349 9.546 1.00 10.00 O ATOM 764 CB ALA A 51 -2.026 10.211 10.376 1.00 10.00 C ATOM 0 H ALA A 51 -1.496 8.995 12.440 1.00 10.00 H new ATOM 0 HA ALA A 51 -3.900 9.893 11.364 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -2.475 10.649 9.485 1.00 10.00 H new ATOM 0 HB2 ALA A 51 -1.732 11.005 11.062 1.00 10.00 H new ATOM 0 HB3 ALA A 51 -1.146 9.633 10.092 1.00 10.00 H new ATOM 770 N ASN A 52 -2.775 7.151 9.895 1.00 10.00 N ATOM 771 CA ASN A 52 -3.254 5.987 9.155 1.00 10.00 C ATOM 772 C ASN A 52 -4.564 5.469 9.747 1.00 10.00 C ATOM 773 O ASN A 52 -5.571 5.407 9.041 1.00 10.00 O ATOM 774 CB ASN A 52 -2.201 4.876 9.111 1.00 10.00 C ATOM 775 CG ASN A 52 -2.789 3.593 8.532 1.00 10.00 C ATOM 776 OD1 ASN A 52 -3.285 2.743 9.264 1.00 10.00 O ATOM 777 ND2 ASN A 52 -2.789 3.483 7.208 1.00 10.00 N ATOM 0 H ASN A 52 -1.816 7.072 10.232 1.00 10.00 H new ATOM 0 HA ASN A 52 -3.442 6.304 8.129 1.00 10.00 H new ATOM 0 HB2 ASN A 52 -1.352 5.197 8.507 1.00 10.00 H new ATOM 0 HB3 ASN A 52 -1.823 4.687 10.116 1.00 10.00 H new ATOM 0 HD21 ASN A 52 -3.213 2.668 6.764 1.00 10.00 H new ATOM 0 HD22 ASN A 52 -2.365 4.213 6.636 1.00 10.00 H new ATOM 784 N LYS A 53 -4.563 5.102 11.031 1.00 10.00 N ATOM 785 CA LYS A 53 -5.738 4.534 11.674 1.00 10.00 C ATOM 786 C LYS A 53 -6.946 5.456 11.500 1.00 10.00 C ATOM 787 O LYS A 53 -8.044 5.003 11.181 1.00 10.00 O ATOM 788 CB LYS A 53 -5.476 4.274 13.166 1.00 10.00 C ATOM 789 CG LYS A 53 -6.551 3.329 13.731 1.00 10.00 C ATOM 790 CD LYS A 53 -6.944 3.642 15.182 1.00 10.00 C ATOM 791 CE LYS A 53 -8.420 3.290 15.432 1.00 10.00 C ATOM 792 NZ LYS A 53 -8.742 1.886 15.093 1.00 10.00 N ATOM 0 H LYS A 53 -3.753 5.191 11.645 1.00 10.00 H new ATOM 0 HA LYS A 53 -5.956 3.580 11.194 1.00 10.00 H new ATOM 0 HB2 LYS A 53 -4.487 3.835 13.299 1.00 10.00 H new ATOM 0 HB3 LYS A 53 -5.483 5.216 13.715 1.00 10.00 H new ATOM 0 HG2 LYS A 53 -7.440 3.386 13.102 1.00 10.00 H new ATOM 0 HG3 LYS A 53 -6.187 2.303 13.675 1.00 10.00 H new ATOM 0 HD2 LYS A 53 -6.309 3.078 15.866 1.00 10.00 H new ATOM 0 HD3 LYS A 53 -6.777 4.699 15.390 1.00 10.00 H new ATOM 0 HE2 LYS A 53 -8.659 3.469 16.480 1.00 10.00 H new ATOM 0 HE3 LYS A 53 -9.052 3.955 14.843 1.00 10.00 H new ATOM 0 HZ1 LYS A 53 -9.696 1.656 15.436 1.00 10.00 H new ATOM 0 HZ2 LYS A 53 -8.706 1.761 14.061 1.00 10.00 H new ATOM 0 HZ3 LYS A 53 -8.051 1.253 15.543 1.00 10.00 H new ATOM 806 N ASN A 54 -6.718 6.750 11.715 1.00 10.00 N ATOM 807 CA ASN A 54 -7.721 7.799 11.678 1.00 10.00 C ATOM 808 C ASN A 54 -8.447 7.847 10.335 1.00 10.00 C ATOM 809 O ASN A 54 -9.581 8.311 10.268 1.00 10.00 O ATOM 810 CB ASN A 54 -7.052 9.149 11.977 1.00 10.00 C ATOM 811 CG ASN A 54 -8.027 10.118 12.629 1.00 10.00 C ATOM 812 OD1 ASN A 54 -8.559 11.016 11.988 1.00 10.00 O ATOM 813 ND2 ASN A 54 -8.242 9.951 13.932 1.00 10.00 N ATOM 0 H ASN A 54 -5.786 7.106 11.929 1.00 10.00 H new ATOM 0 HA ASN A 54 -8.472 7.583 12.438 1.00 10.00 H new ATOM 0 HB2 ASN A 54 -6.196 8.995 12.633 1.00 10.00 H new ATOM 0 HB3 ASN A 54 -6.671 9.581 11.052 1.00 10.00 H new ATOM 0 HD21 ASN A 54 -8.868 10.583 14.431 1.00 10.00 H new ATOM 0 HD22 ASN A 54 -7.780 9.191 14.432 1.00 10.00 H new ATOM 820 N LYS A 55 -7.798 7.379 9.262 1.00 10.00 N ATOM 821 CA LYS A 55 -8.358 7.448 7.922 1.00 10.00 C ATOM 822 C LYS A 55 -9.628 6.602 7.825 1.00 10.00 C ATOM 823 O LYS A 55 -10.655 7.068 7.340 1.00 10.00 O ATOM 824 CB LYS A 55 -7.301 7.005 6.908 1.00 10.00 C ATOM 825 CG LYS A 55 -7.477 7.749 5.576 1.00 10.00 C ATOM 826 CD LYS A 55 -6.246 7.547 4.687 1.00 10.00 C ATOM 827 CE LYS A 55 -5.169 8.581 5.043 1.00 10.00 C ATOM 828 NZ LYS A 55 -3.947 8.412 4.237 1.00 10.00 N ATOM 0 H LYS A 55 -6.876 6.946 9.305 1.00 10.00 H new ATOM 0 HA LYS A 55 -8.641 8.476 7.696 1.00 10.00 H new ATOM 0 HB2 LYS A 55 -6.305 7.196 7.307 1.00 10.00 H new ATOM 0 HB3 LYS A 55 -7.377 5.930 6.742 1.00 10.00 H new ATOM 0 HG2 LYS A 55 -8.368 7.385 5.064 1.00 10.00 H new ATOM 0 HG3 LYS A 55 -7.629 8.812 5.763 1.00 10.00 H new ATOM 0 HD2 LYS A 55 -5.853 6.539 4.819 1.00 10.00 H new ATOM 0 HD3 LYS A 55 -6.524 7.645 3.638 1.00 10.00 H new ATOM 0 HE2 LYS A 55 -5.567 9.584 4.891 1.00 10.00 H new ATOM 0 HE3 LYS A 55 -4.920 8.494 6.101 1.00 10.00 H new ATOM 0 HZ1 LYS A 55 -3.466 9.329 4.139 1.00 10.00 H new ATOM 0 HZ2 LYS A 55 -3.312 7.736 4.707 1.00 10.00 H new ATOM 0 HZ3 LYS A 55 -4.200 8.052 3.295 1.00 10.00 H new ATOM 842 N GLY A 56 -9.545 5.346 8.270 1.00 10.00 N ATOM 843 CA GLY A 56 -10.695 4.466 8.408 1.00 10.00 C ATOM 844 C GLY A 56 -11.426 4.180 7.092 1.00 10.00 C ATOM 845 O GLY A 56 -12.611 3.851 7.096 1.00 10.00 O ATOM 0 H GLY A 56 -8.664 4.912 8.546 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -10.366 3.521 8.841 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -11.398 4.912 9.112 1.00 10.00 H new ATOM 849 N ILE A 57 -10.709 4.259 5.970 1.00 10.00 N ATOM 850 CA ILE A 57 -11.220 3.999 4.629 1.00 10.00 C ATOM 851 C ILE A 57 -10.966 2.550 4.230 1.00 10.00 C ATOM 852 O ILE A 57 -10.062 1.911 4.766 1.00 10.00 O ATOM 853 CB ILE A 57 -10.578 4.953 3.611 1.00 10.00 C ATOM 854 CG1 ILE A 57 -9.042 4.906 3.683 1.00 10.00 C ATOM 855 CG2 ILE A 57 -11.148 6.362 3.792 1.00 10.00 C ATOM 856 CD1 ILE A 57 -8.390 5.657 2.531 1.00 10.00 C ATOM 0 H ILE A 57 -9.722 4.515 5.973 1.00 10.00 H new ATOM 0 HA ILE A 57 -12.296 4.173 4.635 1.00 10.00 H new ATOM 0 HB ILE A 57 -10.831 4.626 2.603 1.00 10.00 H new ATOM 0 HG12 ILE A 57 -8.711 5.336 4.628 1.00 10.00 H new ATOM 0 HG13 ILE A 57 -8.711 3.868 3.671 1.00 10.00 H new ATOM 0 HG21 ILE A 57 -10.690 7.036 3.068 1.00 10.00 H new ATOM 0 HG22 ILE A 57 -12.227 6.341 3.636 1.00 10.00 H new ATOM 0 HG23 ILE A 57 -10.934 6.714 4.801 1.00 10.00 H new ATOM 0 HD11 ILE A 57 -7.306 5.596 2.624 1.00 10.00 H new ATOM 0 HD12 ILE A 57 -8.698 5.211 1.585 1.00 10.00 H new ATOM 0 HD13 ILE A 57 -8.698 6.702 2.557 1.00 10.00 H new ATOM 868 N THR A 58 -11.769 2.056 3.283 1.00 10.00 N ATOM 869 CA THR A 58 -11.666 0.720 2.713 1.00 10.00 C ATOM 870 C THR A 58 -10.821 0.769 1.443 1.00 10.00 C ATOM 871 O THR A 58 -10.910 1.722 0.671 1.00 10.00 O ATOM 872 CB THR A 58 -13.069 0.193 2.388 1.00 10.00 C ATOM 873 OG1 THR A 58 -13.864 0.245 3.556 1.00 10.00 O ATOM 874 CG2 THR A 58 -13.050 -1.247 1.861 1.00 10.00 C ATOM 0 H THR A 58 -12.534 2.599 2.882 1.00 10.00 H new ATOM 0 HA THR A 58 -11.190 0.053 3.432 1.00 10.00 H new ATOM 0 HB THR A 58 -13.482 0.825 1.602 1.00 10.00 H new ATOM 0 HG1 THR A 58 -14.763 -0.089 3.355 1.00 10.00 H new ATOM 0 HG21 THR A 58 -14.069 -1.570 1.647 1.00 10.00 H new ATOM 0 HG22 THR A 58 -12.456 -1.293 0.948 1.00 10.00 H new ATOM 0 HG23 THR A 58 -12.612 -1.904 2.613 1.00 10.00 H new ATOM 882 N TRP A 59 -10.046 -0.286 1.209 1.00 10.00 N ATOM 883 CA TRP A 59 -9.191 -0.428 0.043 1.00 10.00 C ATOM 884 C TRP A 59 -9.940 -1.175 -1.057 1.00 10.00 C ATOM 885 O TRP A 59 -10.584 -2.185 -0.783 1.00 10.00 O ATOM 886 CB TRP A 59 -7.928 -1.162 0.478 1.00 10.00 C ATOM 887 CG TRP A 59 -7.238 -0.475 1.610 1.00 10.00 C ATOM 888 CD1 TRP A 59 -7.348 -0.776 2.925 1.00 10.00 C ATOM 889 CD2 TRP A 59 -6.446 0.741 1.533 1.00 10.00 C ATOM 890 NE1 TRP A 59 -6.610 0.136 3.656 1.00 10.00 N ATOM 891 CE2 TRP A 59 -6.057 1.112 2.851 1.00 10.00 C ATOM 892 CE3 TRP A 59 -6.048 1.583 0.474 1.00 10.00 C ATOM 893 CZ2 TRP A 59 -5.285 2.264 3.094 1.00 10.00 C ATOM 894 CZ3 TRP A 59 -5.269 2.728 0.709 1.00 10.00 C ATOM 895 CH2 TRP A 59 -4.871 3.049 2.015 1.00 10.00 C ATOM 0 H TRP A 59 -9.997 -1.084 1.843 1.00 10.00 H new ATOM 0 HA TRP A 59 -8.912 0.543 -0.365 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -8.185 -2.179 0.775 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -7.245 -1.240 -0.368 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -7.919 -1.595 3.336 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -6.489 0.093 4.668 1.00 10.00 H new ATOM 0 HE3 TRP A 59 -6.347 1.343 -0.536 1.00 10.00 H new ATOM 0 HZ2 TRP A 59 -5.016 2.538 4.103 1.00 10.00 H new ATOM 0 HZ3 TRP A 59 -4.977 3.361 -0.116 1.00 10.00 H new ATOM 0 HH2 TRP A 59 -4.240 3.909 2.188 1.00 10.00 H new ATOM 906 N LYS A 60 -9.879 -0.668 -2.293 1.00 10.00 N ATOM 907 CA LYS A 60 -10.570 -1.256 -3.438 1.00 10.00 C ATOM 908 C LYS A 60 -9.694 -1.155 -4.689 1.00 10.00 C ATOM 909 O LYS A 60 -9.318 -2.177 -5.259 1.00 10.00 O ATOM 910 CB LYS A 60 -11.971 -0.639 -3.586 1.00 10.00 C ATOM 911 CG LYS A 60 -11.996 0.891 -3.736 1.00 10.00 C ATOM 912 CD LYS A 60 -13.392 1.473 -3.493 1.00 10.00 C ATOM 913 CE LYS A 60 -13.810 1.408 -2.014 1.00 10.00 C ATOM 914 NZ LYS A 60 -15.018 0.584 -1.817 1.00 10.00 N ATOM 0 H LYS A 60 -9.344 0.169 -2.525 1.00 10.00 H new ATOM 0 HA LYS A 60 -10.735 -2.322 -3.279 1.00 10.00 H new ATOM 0 HB2 LYS A 60 -12.456 -1.082 -4.456 1.00 10.00 H new ATOM 0 HB3 LYS A 60 -12.566 -0.913 -2.715 1.00 10.00 H new ATOM 0 HG2 LYS A 60 -11.292 1.335 -3.033 1.00 10.00 H new ATOM 0 HG3 LYS A 60 -11.660 1.162 -4.737 1.00 10.00 H new ATOM 0 HD2 LYS A 60 -13.413 2.510 -3.827 1.00 10.00 H new ATOM 0 HD3 LYS A 60 -14.119 0.929 -4.096 1.00 10.00 H new ATOM 0 HE2 LYS A 60 -12.991 0.998 -1.423 1.00 10.00 H new ATOM 0 HE3 LYS A 60 -13.995 2.417 -1.645 1.00 10.00 H new ATOM 0 HZ1 LYS A 60 -15.265 0.567 -0.807 1.00 10.00 H new ATOM 0 HZ2 LYS A 60 -15.807 0.989 -2.360 1.00 10.00 H new ATOM 0 HZ3 LYS A 60 -14.834 -0.386 -2.145 1.00 10.00 H new ATOM 928 N GLU A 61 -9.341 0.079 -5.062 1.00 10.00 N ATOM 929 CA GLU A 61 -8.434 0.442 -6.143 1.00 10.00 C ATOM 930 C GLU A 61 -8.388 1.968 -6.261 1.00 10.00 C ATOM 931 O GLU A 61 -7.304 2.529 -6.209 1.00 10.00 O ATOM 932 CB GLU A 61 -8.765 -0.249 -7.475 1.00 10.00 C ATOM 933 CG GLU A 61 -10.241 -0.157 -7.889 1.00 10.00 C ATOM 934 CD GLU A 61 -10.510 -1.071 -9.071 1.00 10.00 C ATOM 935 OE1 GLU A 61 -10.225 -0.648 -10.207 1.00 10.00 O ATOM 936 OE2 GLU A 61 -10.943 -2.215 -8.805 1.00 10.00 O ATOM 0 H GLU A 61 -9.708 0.901 -4.582 1.00 10.00 H new ATOM 0 HA GLU A 61 -7.438 0.075 -5.894 1.00 10.00 H new ATOM 0 HB2 GLU A 61 -8.152 0.192 -8.261 1.00 10.00 H new ATOM 0 HB3 GLU A 61 -8.485 -1.300 -7.404 1.00 10.00 H new ATOM 0 HG2 GLU A 61 -10.880 -0.436 -7.051 1.00 10.00 H new ATOM 0 HG3 GLU A 61 -10.490 0.871 -8.151 1.00 10.00 H new ATOM 943 N GLU A 62 -9.550 2.629 -6.348 1.00 10.00 N ATOM 944 CA GLU A 62 -9.701 4.086 -6.406 1.00 10.00 C ATOM 945 C GLU A 62 -8.795 4.815 -5.413 1.00 10.00 C ATOM 946 O GLU A 62 -7.827 5.463 -5.798 1.00 10.00 O ATOM 947 CB GLU A 62 -11.164 4.444 -6.096 1.00 10.00 C ATOM 948 CG GLU A 62 -12.117 4.210 -7.270 1.00 10.00 C ATOM 949 CD GLU A 62 -13.566 4.296 -6.803 1.00 10.00 C ATOM 950 OE1 GLU A 62 -13.926 3.454 -5.950 1.00 10.00 O ATOM 951 OE2 GLU A 62 -14.276 5.203 -7.285 1.00 10.00 O ATOM 0 H GLU A 62 -10.446 2.142 -6.381 1.00 10.00 H new ATOM 0 HA GLU A 62 -9.413 4.406 -7.408 1.00 10.00 H new ATOM 0 HB2 GLU A 62 -11.500 3.854 -5.243 1.00 10.00 H new ATOM 0 HB3 GLU A 62 -11.217 5.492 -5.800 1.00 10.00 H new ATOM 0 HG2 GLU A 62 -11.934 4.951 -8.048 1.00 10.00 H new ATOM 0 HG3 GLU A 62 -11.928 3.231 -7.711 1.00 10.00 H new ATOM 958 N THR A 63 -9.102 4.731 -4.116 1.00 10.00 N ATOM 959 CA THR A 63 -8.346 5.507 -3.151 1.00 10.00 C ATOM 960 C THR A 63 -6.864 5.148 -3.241 1.00 10.00 C ATOM 961 O THR A 63 -6.005 6.024 -3.255 1.00 10.00 O ATOM 962 CB THR A 63 -8.928 5.303 -1.750 1.00 10.00 C ATOM 963 OG1 THR A 63 -10.307 5.608 -1.790 1.00 10.00 O ATOM 964 CG2 THR A 63 -8.201 6.202 -0.750 1.00 10.00 C ATOM 0 H THR A 63 -9.845 4.151 -3.726 1.00 10.00 H new ATOM 0 HA THR A 63 -8.427 6.570 -3.376 1.00 10.00 H new ATOM 0 HB THR A 63 -8.795 4.269 -1.431 1.00 10.00 H new ATOM 0 HG1 THR A 63 -10.696 5.481 -0.900 1.00 10.00 H new ATOM 0 HG21 THR A 63 -8.620 6.052 0.245 1.00 10.00 H new ATOM 0 HG22 THR A 63 -7.140 5.951 -0.739 1.00 10.00 H new ATOM 0 HG23 THR A 63 -8.324 7.245 -1.042 1.00 10.00 H new ATOM 972 N LEU A 64 -6.575 3.850 -3.345 1.00 10.00 N ATOM 973 CA LEU A 64 -5.235 3.310 -3.471 1.00 10.00 C ATOM 974 C LEU A 64 -4.460 3.980 -4.615 1.00 10.00 C ATOM 975 O LEU A 64 -3.369 4.493 -4.385 1.00 10.00 O ATOM 976 CB LEU A 64 -5.351 1.781 -3.597 1.00 10.00 C ATOM 977 CG LEU A 64 -4.314 1.010 -2.792 1.00 10.00 C ATOM 978 CD1 LEU A 64 -4.731 -0.460 -2.712 1.00 10.00 C ATOM 979 CD2 LEU A 64 -2.925 1.131 -3.413 1.00 10.00 C ATOM 0 H LEU A 64 -7.296 3.128 -3.343 1.00 10.00 H new ATOM 0 HA LEU A 64 -4.642 3.532 -2.584 1.00 10.00 H new ATOM 0 HB2 LEU A 64 -6.346 1.475 -3.274 1.00 10.00 H new ATOM 0 HB3 LEU A 64 -5.258 1.506 -4.648 1.00 10.00 H new ATOM 0 HG LEU A 64 -4.264 1.436 -1.790 1.00 10.00 H new ATOM 0 HD11 LEU A 64 -3.992 -1.017 -2.136 1.00 10.00 H new ATOM 0 HD12 LEU A 64 -5.703 -0.536 -2.225 1.00 10.00 H new ATOM 0 HD13 LEU A 64 -4.796 -0.875 -3.718 1.00 10.00 H new ATOM 0 HD21 LEU A 64 -2.208 0.569 -2.814 1.00 10.00 H new ATOM 0 HD22 LEU A 64 -2.943 0.731 -4.427 1.00 10.00 H new ATOM 0 HD23 LEU A 64 -2.630 2.180 -3.443 1.00 10.00 H new ATOM 991 N MET A 65 -5.027 4.022 -5.824 1.00 10.00 N ATOM 992 CA MET A 65 -4.477 4.718 -6.982 1.00 10.00 C ATOM 993 C MET A 65 -3.962 6.099 -6.568 1.00 10.00 C ATOM 994 O MET A 65 -2.783 6.411 -6.747 1.00 10.00 O ATOM 995 CB MET A 65 -5.562 4.845 -8.071 1.00 10.00 C ATOM 996 CG MET A 65 -5.676 3.658 -9.033 1.00 10.00 C ATOM 997 SD MET A 65 -5.106 4.021 -10.716 1.00 10.00 S ATOM 998 CE MET A 65 -5.911 2.681 -11.619 1.00 10.00 C ATOM 0 H MET A 65 -5.911 3.555 -6.026 1.00 10.00 H new ATOM 0 HA MET A 65 -3.640 4.147 -7.385 1.00 10.00 H new ATOM 0 HB2 MET A 65 -6.526 4.988 -7.583 1.00 10.00 H new ATOM 0 HB3 MET A 65 -5.363 5.744 -8.654 1.00 10.00 H new ATOM 0 HG2 MET A 65 -5.098 2.824 -8.636 1.00 10.00 H new ATOM 0 HG3 MET A 65 -6.716 3.334 -9.074 1.00 10.00 H new ATOM 0 HE1 MET A 65 -5.813 2.854 -12.691 1.00 10.00 H new ATOM 0 HE2 MET A 65 -5.440 1.733 -11.360 1.00 10.00 H new ATOM 0 HE3 MET A 65 -6.967 2.646 -11.353 1.00 10.00 H new ATOM 1008 N GLU A 66 -4.837 6.918 -5.988 1.00 10.00 N ATOM 1009 CA GLU A 66 -4.517 8.305 -5.686 1.00 10.00 C ATOM 1010 C GLU A 66 -3.469 8.348 -4.585 1.00 10.00 C ATOM 1011 O GLU A 66 -2.512 9.109 -4.660 1.00 10.00 O ATOM 1012 CB GLU A 66 -5.774 9.023 -5.216 1.00 10.00 C ATOM 1013 CG GLU A 66 -6.865 9.105 -6.290 1.00 10.00 C ATOM 1014 CD GLU A 66 -8.244 8.985 -5.660 1.00 10.00 C ATOM 1015 OE1 GLU A 66 -8.345 9.378 -4.475 1.00 10.00 O ATOM 1016 OE2 GLU A 66 -9.157 8.505 -6.363 1.00 10.00 O ATOM 0 H GLU A 66 -5.780 6.639 -5.717 1.00 10.00 H new ATOM 0 HA GLU A 66 -4.131 8.796 -6.579 1.00 10.00 H new ATOM 0 HB2 GLU A 66 -6.173 8.508 -4.342 1.00 10.00 H new ATOM 0 HB3 GLU A 66 -5.510 10.032 -4.899 1.00 10.00 H new ATOM 0 HG2 GLU A 66 -6.785 10.051 -6.826 1.00 10.00 H new ATOM 0 HG3 GLU A 66 -6.723 8.310 -7.022 1.00 10.00 H new ATOM 1023 N TYR A 67 -3.650 7.510 -3.567 1.00 10.00 N ATOM 1024 CA TYR A 67 -2.741 7.358 -2.449 1.00 10.00 C ATOM 1025 C TYR A 67 -1.314 7.164 -2.971 1.00 10.00 C ATOM 1026 O TYR A 67 -0.414 7.944 -2.653 1.00 10.00 O ATOM 1027 CB TYR A 67 -3.231 6.178 -1.601 1.00 10.00 C ATOM 1028 CG TYR A 67 -2.803 6.184 -0.152 1.00 10.00 C ATOM 1029 CD1 TYR A 67 -1.543 5.683 0.219 1.00 10.00 C ATOM 1030 CD2 TYR A 67 -3.755 6.488 0.838 1.00 10.00 C ATOM 1031 CE1 TYR A 67 -1.243 5.476 1.577 1.00 10.00 C ATOM 1032 CE2 TYR A 67 -3.452 6.284 2.192 1.00 10.00 C ATOM 1033 CZ TYR A 67 -2.196 5.780 2.561 1.00 10.00 C ATOM 1034 OH TYR A 67 -1.942 5.520 3.875 1.00 10.00 O ATOM 0 H TYR A 67 -4.465 6.899 -3.502 1.00 10.00 H new ATOM 0 HA TYR A 67 -2.724 8.248 -1.820 1.00 10.00 H new ATOM 0 HB2 TYR A 67 -4.320 6.157 -1.638 1.00 10.00 H new ATOM 0 HB3 TYR A 67 -2.878 5.254 -2.060 1.00 10.00 H new ATOM 0 HD1 TYR A 67 -0.806 5.457 -0.538 1.00 10.00 H new ATOM 0 HD2 TYR A 67 -4.721 6.879 0.555 1.00 10.00 H new ATOM 0 HE1 TYR A 67 -0.279 5.083 1.863 1.00 10.00 H new ATOM 0 HE2 TYR A 67 -4.185 6.515 2.950 1.00 10.00 H new ATOM 0 HH TYR A 67 -2.711 5.795 4.417 1.00 10.00 H new ATOM 1044 N LEU A 68 -1.113 6.156 -3.826 1.00 10.00 N ATOM 1045 CA LEU A 68 0.189 5.906 -4.433 1.00 10.00 C ATOM 1046 C LEU A 68 0.610 7.048 -5.360 1.00 10.00 C ATOM 1047 O LEU A 68 1.793 7.167 -5.671 1.00 10.00 O ATOM 1048 CB LEU A 68 0.206 4.596 -5.233 1.00 10.00 C ATOM 1049 CG LEU A 68 -0.246 3.337 -4.490 1.00 10.00 C ATOM 1050 CD1 LEU A 68 0.047 2.118 -5.368 1.00 10.00 C ATOM 1051 CD2 LEU A 68 0.356 3.173 -3.090 1.00 10.00 C ATOM 0 H LEU A 68 -1.841 5.501 -4.111 1.00 10.00 H new ATOM 0 HA LEU A 68 0.895 5.831 -3.606 1.00 10.00 H new ATOM 0 HB2 LEU A 68 -0.431 4.723 -6.109 1.00 10.00 H new ATOM 0 HB3 LEU A 68 1.220 4.432 -5.597 1.00 10.00 H new ATOM 0 HG LEU A 68 -1.317 3.435 -4.312 1.00 10.00 H new ATOM 0 HD11 LEU A 68 -0.270 1.212 -4.851 1.00 10.00 H new ATOM 0 HD12 LEU A 68 -0.496 2.208 -6.309 1.00 10.00 H new ATOM 0 HD13 LEU A 68 1.117 2.064 -5.571 1.00 10.00 H new ATOM 0 HD21 LEU A 68 -0.019 2.255 -2.638 1.00 10.00 H new ATOM 0 HD22 LEU A 68 1.442 3.123 -3.165 1.00 10.00 H new ATOM 0 HD23 LEU A 68 0.074 4.024 -2.470 1.00 10.00 H new ATOM 1063 N GLU A 69 -0.334 7.825 -5.898 1.00 10.00 N ATOM 1064 CA GLU A 69 -0.073 9.003 -6.724 1.00 10.00 C ATOM 1065 C GLU A 69 0.083 10.267 -5.884 1.00 10.00 C ATOM 1066 O GLU A 69 0.250 11.354 -6.426 1.00 10.00 O ATOM 1067 CB GLU A 69 -1.135 9.098 -7.838 1.00 10.00 C ATOM 1068 CG GLU A 69 -0.593 9.556 -9.204 1.00 10.00 C ATOM 1069 CD GLU A 69 -0.515 11.068 -9.355 1.00 10.00 C ATOM 1070 OE1 GLU A 69 -1.576 11.708 -9.197 1.00 10.00 O ATOM 1071 OE2 GLU A 69 0.598 11.533 -9.680 1.00 10.00 O ATOM 0 H GLU A 69 -1.329 7.645 -5.766 1.00 10.00 H new ATOM 0 HA GLU A 69 0.892 8.896 -7.220 1.00 10.00 H new ATOM 0 HB2 GLU A 69 -1.605 8.122 -7.957 1.00 10.00 H new ATOM 0 HB3 GLU A 69 -1.914 9.791 -7.521 1.00 10.00 H new ATOM 0 HG2 GLU A 69 0.401 9.133 -9.351 1.00 10.00 H new ATOM 0 HG3 GLU A 69 -1.230 9.153 -9.991 1.00 10.00 H new ATOM 1078 N ASN A 70 0.097 10.155 -4.554 1.00 10.00 N ATOM 1079 CA ASN A 70 0.226 11.339 -3.730 1.00 10.00 C ATOM 1080 C ASN A 70 0.599 10.964 -2.296 1.00 10.00 C ATOM 1081 O ASN A 70 -0.147 11.265 -1.358 1.00 10.00 O ATOM 1082 CB ASN A 70 -1.078 12.157 -3.864 1.00 10.00 C ATOM 1083 CG ASN A 70 -0.859 13.496 -4.564 1.00 10.00 C ATOM 1084 OD1 ASN A 70 0.167 14.150 -4.376 1.00 10.00 O ATOM 1085 ND2 ASN A 70 -1.837 13.933 -5.352 1.00 10.00 N ATOM 0 H ASN A 70 0.022 9.276 -4.043 1.00 10.00 H new ATOM 0 HA ASN A 70 1.046 11.974 -4.066 1.00 10.00 H new ATOM 0 HB2 ASN A 70 -1.812 11.575 -4.421 1.00 10.00 H new ATOM 0 HB3 ASN A 70 -1.496 12.333 -2.873 1.00 10.00 H new ATOM 0 HD21 ASN A 70 -1.749 14.834 -5.821 1.00 10.00 H new ATOM 0 HD22 ASN A 70 -2.675 13.367 -5.487 1.00 10.00 H new ATOM 1092 N PRO A 71 1.784 10.354 -2.089 1.00 10.00 N ATOM 1093 CA PRO A 71 2.220 9.898 -0.791 1.00 10.00 C ATOM 1094 C PRO A 71 2.749 11.029 0.071 1.00 10.00 C ATOM 1095 O PRO A 71 3.908 11.037 0.468 1.00 10.00 O ATOM 1096 CB PRO A 71 3.248 8.795 -1.065 1.00 10.00 C ATOM 1097 CG PRO A 71 3.922 9.323 -2.333 1.00 10.00 C ATOM 1098 CD PRO A 71 2.753 9.951 -3.098 1.00 10.00 C ATOM 0 HA PRO A 71 1.392 9.504 -0.202 1.00 10.00 H new ATOM 0 HB2 PRO A 71 3.954 8.677 -0.243 1.00 10.00 H new ATOM 0 HB3 PRO A 71 2.778 7.824 -1.223 1.00 10.00 H new ATOM 0 HG2 PRO A 71 4.697 10.055 -2.105 1.00 10.00 H new ATOM 0 HG3 PRO A 71 4.396 8.524 -2.903 1.00 10.00 H new ATOM 0 HD2 PRO A 71 3.085 10.808 -3.684 1.00 10.00 H new ATOM 0 HD3 PRO A 71 2.315 9.238 -3.796 1.00 10.00 H new ATOM 1106 N LYS A 72 1.879 12.003 0.321 1.00 10.00 N ATOM 1107 CA LYS A 72 2.066 13.161 1.173 1.00 10.00 C ATOM 1108 C LYS A 72 0.749 13.936 1.193 1.00 10.00 C ATOM 1109 O LYS A 72 0.248 14.263 2.260 1.00 10.00 O ATOM 1110 CB LYS A 72 3.274 14.037 0.781 1.00 10.00 C ATOM 1111 CG LYS A 72 3.508 14.363 -0.710 1.00 10.00 C ATOM 1112 CD LYS A 72 4.474 13.377 -1.400 1.00 10.00 C ATOM 1113 CE LYS A 72 5.155 13.948 -2.652 1.00 10.00 C ATOM 1114 NZ LYS A 72 4.222 14.120 -3.787 1.00 10.00 N ATOM 0 H LYS A 72 0.952 11.997 -0.104 1.00 10.00 H new ATOM 0 HA LYS A 72 2.318 12.826 2.179 1.00 10.00 H new ATOM 0 HB2 LYS A 72 3.182 14.983 1.314 1.00 10.00 H new ATOM 0 HB3 LYS A 72 4.172 13.546 1.156 1.00 10.00 H new ATOM 0 HG2 LYS A 72 2.552 14.352 -1.233 1.00 10.00 H new ATOM 0 HG3 LYS A 72 3.907 15.374 -0.797 1.00 10.00 H new ATOM 0 HD2 LYS A 72 5.241 13.076 -0.687 1.00 10.00 H new ATOM 0 HD3 LYS A 72 3.924 12.477 -1.676 1.00 10.00 H new ATOM 0 HE2 LYS A 72 5.604 14.911 -2.408 1.00 10.00 H new ATOM 0 HE3 LYS A 72 5.966 13.285 -2.952 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 4.736 14.508 -4.603 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 3.812 13.199 -4.042 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 3.461 14.774 -3.515 1.00 10.00 H new ATOM 1128 N LYS A 73 0.152 14.169 0.020 1.00 10.00 N ATOM 1129 CA LYS A 73 -1.065 14.963 -0.122 1.00 10.00 C ATOM 1130 C LYS A 73 -2.194 14.400 0.745 1.00 10.00 C ATOM 1131 O LYS A 73 -2.964 15.159 1.327 1.00 10.00 O ATOM 1132 CB LYS A 73 -1.448 15.037 -1.610 1.00 10.00 C ATOM 1133 CG LYS A 73 -2.121 16.349 -2.032 1.00 10.00 C ATOM 1134 CD LYS A 73 -3.641 16.350 -1.813 1.00 10.00 C ATOM 1135 CE LYS A 73 -4.111 17.775 -1.489 1.00 10.00 C ATOM 1136 NZ LYS A 73 -5.583 17.893 -1.475 1.00 10.00 N ATOM 0 H LYS A 73 0.507 13.806 -0.865 1.00 10.00 H new ATOM 0 HA LYS A 73 -0.885 15.977 0.235 1.00 10.00 H new ATOM 0 HB2 LYS A 73 -0.549 14.896 -2.210 1.00 10.00 H new ATOM 0 HB3 LYS A 73 -2.119 14.209 -1.841 1.00 10.00 H new ATOM 0 HG2 LYS A 73 -1.680 17.173 -1.471 1.00 10.00 H new ATOM 0 HG3 LYS A 73 -1.913 16.534 -3.086 1.00 10.00 H new ATOM 0 HD2 LYS A 73 -4.148 15.983 -2.705 1.00 10.00 H new ATOM 0 HD3 LYS A 73 -3.902 15.675 -0.998 1.00 10.00 H new ATOM 0 HE2 LYS A 73 -3.716 18.073 -0.518 1.00 10.00 H new ATOM 0 HE3 LYS A 73 -3.701 18.466 -2.225 1.00 10.00 H new ATOM 0 HZ1 LYS A 73 -5.851 18.873 -1.252 1.00 10.00 H new ATOM 0 HZ2 LYS A 73 -5.961 17.635 -2.409 1.00 10.00 H new ATOM 0 HZ3 LYS A 73 -5.976 17.254 -0.754 1.00 10.00 H new ATOM 1150 N TYR A 74 -2.284 13.070 0.832 1.00 10.00 N ATOM 1151 CA TYR A 74 -3.233 12.408 1.714 1.00 10.00 C ATOM 1152 C TYR A 74 -2.972 12.748 3.192 1.00 10.00 C ATOM 1153 O TYR A 74 -3.912 13.085 3.906 1.00 10.00 O ATOM 1154 CB TYR A 74 -3.216 10.890 1.466 1.00 10.00 C ATOM 1155 CG TYR A 74 -4.259 10.391 0.476 1.00 10.00 C ATOM 1156 CD1 TYR A 74 -4.167 10.696 -0.897 1.00 10.00 C ATOM 1157 CD2 TYR A 74 -5.378 9.681 0.950 1.00 10.00 C ATOM 1158 CE1 TYR A 74 -5.207 10.328 -1.777 1.00 10.00 C ATOM 1159 CE2 TYR A 74 -6.384 9.271 0.064 1.00 10.00 C ATOM 1160 CZ TYR A 74 -6.324 9.619 -1.294 1.00 10.00 C ATOM 1161 OH TYR A 74 -7.413 9.317 -2.060 1.00 10.00 O ATOM 0 H TYR A 74 -1.701 12.429 0.293 1.00 10.00 H new ATOM 0 HA TYR A 74 -4.231 12.781 1.483 1.00 10.00 H new ATOM 0 HB2 TYR A 74 -2.228 10.607 1.104 1.00 10.00 H new ATOM 0 HB3 TYR A 74 -3.365 10.379 2.417 1.00 10.00 H new ATOM 0 HD1 TYR A 74 -3.298 11.213 -1.277 1.00 10.00 H new ATOM 0 HD2 TYR A 74 -5.462 9.451 2.002 1.00 10.00 H new ATOM 0 HE1 TYR A 74 -5.146 10.591 -2.823 1.00 10.00 H new ATOM 0 HE2 TYR A 74 -7.212 8.682 0.430 1.00 10.00 H new ATOM 0 HH TYR A 74 -7.297 9.695 -2.957 1.00 10.00 H new ATOM 1171 N ILE A 75 -1.730 12.596 3.672 1.00 10.00 N ATOM 1172 CA ILE A 75 -1.371 12.743 5.087 1.00 10.00 C ATOM 1173 C ILE A 75 0.082 13.244 5.236 1.00 10.00 C ATOM 1174 O ILE A 75 0.998 12.437 5.435 1.00 10.00 O ATOM 1175 CB ILE A 75 -1.620 11.426 5.858 1.00 10.00 C ATOM 1176 CG1 ILE A 75 -1.058 10.183 5.138 1.00 10.00 C ATOM 1177 CG2 ILE A 75 -3.108 11.242 6.190 1.00 10.00 C ATOM 1178 CD1 ILE A 75 -1.196 8.917 5.986 1.00 10.00 C ATOM 0 H ILE A 75 -0.935 12.364 3.077 1.00 10.00 H new ATOM 0 HA ILE A 75 -2.017 13.500 5.532 1.00 10.00 H new ATOM 0 HB ILE A 75 -1.067 11.518 6.793 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -1.582 10.044 4.192 1.00 10.00 H new ATOM 0 HG13 ILE A 75 -0.007 10.347 4.899 1.00 10.00 H new ATOM 0 HG21 ILE A 75 -3.247 10.306 6.732 1.00 10.00 H new ATOM 0 HG22 ILE A 75 -3.448 12.073 6.808 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -3.686 11.216 5.266 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -0.787 8.067 5.440 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -0.650 9.044 6.921 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -2.249 8.737 6.202 1.00 10.00 H new ATOM 1190 N PRO A 76 0.319 14.565 5.138 1.00 10.00 N ATOM 1191 CA PRO A 76 1.652 15.130 4.959 1.00 10.00 C ATOM 1192 C PRO A 76 2.456 15.140 6.265 1.00 10.00 C ATOM 1193 O PRO A 76 2.699 16.190 6.853 1.00 10.00 O ATOM 1194 CB PRO A 76 1.421 16.530 4.374 1.00 10.00 C ATOM 1195 CG PRO A 76 0.058 16.925 4.940 1.00 10.00 C ATOM 1196 CD PRO A 76 -0.697 15.597 4.985 1.00 10.00 C ATOM 0 HA PRO A 76 2.264 14.528 4.287 1.00 10.00 H new ATOM 0 HB2 PRO A 76 2.201 17.228 4.679 1.00 10.00 H new ATOM 0 HB3 PRO A 76 1.415 16.515 3.284 1.00 10.00 H new ATOM 0 HG2 PRO A 76 0.147 17.372 5.930 1.00 10.00 H new ATOM 0 HG3 PRO A 76 -0.446 17.654 4.305 1.00 10.00 H new ATOM 0 HD2 PRO A 76 -1.402 15.577 5.816 1.00 10.00 H new ATOM 0 HD3 PRO A 76 -1.274 15.445 4.073 1.00 10.00 H new ATOM 1204 N GLY A 77 2.900 13.957 6.694 1.00 10.00 N ATOM 1205 CA GLY A 77 3.743 13.756 7.862 1.00 10.00 C ATOM 1206 C GLY A 77 3.444 12.397 8.478 1.00 10.00 C ATOM 1207 O GLY A 77 3.041 12.309 9.634 1.00 10.00 O ATOM 0 H GLY A 77 2.671 13.085 6.217 1.00 10.00 H new ATOM 0 HA2 GLY A 77 4.794 13.815 7.579 1.00 10.00 H new ATOM 0 HA3 GLY A 77 3.564 14.545 8.592 1.00 10.00 H new ATOM 1211 N THR A 78 3.624 11.335 7.684 1.00 10.00 N ATOM 1212 CA THR A 78 3.333 9.970 8.110 1.00 10.00 C ATOM 1213 C THR A 78 4.400 9.017 7.575 1.00 10.00 C ATOM 1214 O THR A 78 5.142 8.417 8.346 1.00 10.00 O ATOM 1215 CB THR A 78 1.920 9.562 7.673 1.00 10.00 C ATOM 1216 OG1 THR A 78 1.019 10.647 7.750 1.00 10.00 O ATOM 1217 CG2 THR A 78 1.432 8.423 8.580 1.00 10.00 C ATOM 0 H THR A 78 3.976 11.403 6.729 1.00 10.00 H new ATOM 0 HA THR A 78 3.360 9.917 9.198 1.00 10.00 H new ATOM 0 HB THR A 78 1.959 9.235 6.634 1.00 10.00 H new ATOM 0 HG1 THR A 78 1.086 11.186 6.934 1.00 10.00 H new ATOM 0 HG21 THR A 78 0.428 8.123 8.280 1.00 10.00 H new ATOM 0 HG22 THR A 78 2.107 7.572 8.490 1.00 10.00 H new ATOM 0 HG23 THR A 78 1.414 8.764 9.615 1.00 10.00 H new ATOM 1225 N LYS A 79 4.485 8.882 6.247 1.00 10.00 N ATOM 1226 CA LYS A 79 5.501 8.067 5.598 1.00 10.00 C ATOM 1227 C LYS A 79 5.740 8.620 4.193 1.00 10.00 C ATOM 1228 O LYS A 79 5.580 7.919 3.194 1.00 10.00 O ATOM 1229 CB LYS A 79 5.120 6.575 5.658 1.00 10.00 C ATOM 1230 CG LYS A 79 3.988 6.113 4.715 1.00 10.00 C ATOM 1231 CD LYS A 79 2.842 5.378 5.428 1.00 10.00 C ATOM 1232 CE LYS A 79 1.612 6.294 5.491 1.00 10.00 C ATOM 1233 NZ LYS A 79 0.565 5.788 6.395 1.00 10.00 N ATOM 0 H LYS A 79 3.846 9.339 5.596 1.00 10.00 H new ATOM 0 HA LYS A 79 6.455 8.123 6.123 1.00 10.00 H new ATOM 0 HB2 LYS A 79 6.010 5.987 5.436 1.00 10.00 H new ATOM 0 HB3 LYS A 79 4.829 6.338 6.681 1.00 10.00 H new ATOM 0 HG2 LYS A 79 3.582 6.982 4.198 1.00 10.00 H new ATOM 0 HG3 LYS A 79 4.409 5.457 3.953 1.00 10.00 H new ATOM 0 HD2 LYS A 79 2.598 4.459 4.896 1.00 10.00 H new ATOM 0 HD3 LYS A 79 3.149 5.092 6.434 1.00 10.00 H new ATOM 0 HE2 LYS A 79 1.921 7.286 5.820 1.00 10.00 H new ATOM 0 HE3 LYS A 79 1.197 6.406 4.489 1.00 10.00 H new ATOM 0 HZ1 LYS A 79 0.026 6.588 6.785 1.00 10.00 H new ATOM 0 HZ2 LYS A 79 -0.077 5.163 5.867 1.00 10.00 H new ATOM 0 HZ3 LYS A 79 1.005 5.256 7.172 1.00 10.00 H new ATOM 1247 N MET A 80 6.050 9.919 4.123 1.00 10.00 N ATOM 1248 CA MET A 80 6.270 10.582 2.850 1.00 10.00 C ATOM 1249 C MET A 80 7.382 9.860 2.092 1.00 10.00 C ATOM 1250 O MET A 80 8.406 9.543 2.693 1.00 10.00 O ATOM 1251 CB MET A 80 6.577 12.077 3.037 1.00 10.00 C ATOM 1252 CG MET A 80 7.825 12.374 3.888 1.00 10.00 C ATOM 1253 SD MET A 80 8.535 14.034 3.689 1.00 10.00 S ATOM 1254 CE MET A 80 7.235 15.043 4.441 1.00 10.00 C ATOM 0 H MET A 80 6.152 10.525 4.937 1.00 10.00 H new ATOM 0 HA MET A 80 5.356 10.531 2.259 1.00 10.00 H new ATOM 0 HB2 MET A 80 6.706 12.533 2.056 1.00 10.00 H new ATOM 0 HB3 MET A 80 5.715 12.556 3.501 1.00 10.00 H new ATOM 0 HG2 MET A 80 7.569 12.232 4.938 1.00 10.00 H new ATOM 0 HG3 MET A 80 8.592 11.639 3.644 1.00 10.00 H new ATOM 0 HE1 MET A 80 7.520 16.094 4.398 1.00 10.00 H new ATOM 0 HE2 MET A 80 6.301 14.897 3.898 1.00 10.00 H new ATOM 0 HE3 MET A 80 7.100 14.746 5.481 1.00 10.00 H new ATOM 1264 N ILE A 81 7.190 9.590 0.799 1.00 10.00 N ATOM 1265 CA ILE A 81 8.254 8.998 -0.003 1.00 10.00 C ATOM 1266 C ILE A 81 8.201 9.499 -1.451 1.00 10.00 C ATOM 1267 O ILE A 81 7.487 10.457 -1.745 1.00 10.00 O ATOM 1268 CB ILE A 81 8.275 7.446 0.127 1.00 10.00 C ATOM 1269 CG1 ILE A 81 6.910 6.819 -0.200 1.00 10.00 C ATOM 1270 CG2 ILE A 81 8.780 6.951 1.490 1.00 10.00 C ATOM 1271 CD1 ILE A 81 6.996 5.291 -0.301 1.00 10.00 C ATOM 0 H ILE A 81 6.322 9.769 0.295 1.00 10.00 H new ATOM 0 HA ILE A 81 9.212 9.334 0.394 1.00 10.00 H new ATOM 0 HB ILE A 81 8.996 7.111 -0.618 1.00 10.00 H new ATOM 0 HG12 ILE A 81 6.190 7.093 0.571 1.00 10.00 H new ATOM 0 HG13 ILE A 81 6.539 7.225 -1.141 1.00 10.00 H new ATOM 0 HG21 ILE A 81 8.767 5.861 1.509 1.00 10.00 H new ATOM 0 HG22 ILE A 81 9.798 7.305 1.651 1.00 10.00 H new ATOM 0 HG23 ILE A 81 8.133 7.335 2.279 1.00 10.00 H new ATOM 0 HD11 ILE A 81 6.011 4.886 -0.533 1.00 10.00 H new ATOM 0 HD12 ILE A 81 7.696 5.017 -1.090 1.00 10.00 H new ATOM 0 HD13 ILE A 81 7.342 4.882 0.649 1.00 10.00 H new ATOM 1283 N PHE A 82 9.017 8.871 -2.314 1.00 10.00 N ATOM 1284 CA PHE A 82 9.132 9.103 -3.749 1.00 10.00 C ATOM 1285 C PHE A 82 7.790 9.438 -4.403 1.00 10.00 C ATOM 1286 O PHE A 82 6.744 8.980 -3.946 1.00 10.00 O ATOM 1287 CB PHE A 82 9.790 7.885 -4.434 1.00 10.00 C ATOM 1288 CG PHE A 82 8.882 6.692 -4.722 1.00 10.00 C ATOM 1289 CD1 PHE A 82 8.061 6.151 -3.715 1.00 10.00 C ATOM 1290 CD2 PHE A 82 8.825 6.145 -6.018 1.00 10.00 C ATOM 1291 CE1 PHE A 82 7.135 5.137 -4.012 1.00 10.00 C ATOM 1292 CE2 PHE A 82 7.932 5.096 -6.300 1.00 10.00 C ATOM 1293 CZ PHE A 82 7.068 4.608 -5.308 1.00 10.00 C ATOM 0 H PHE A 82 9.654 8.140 -1.998 1.00 10.00 H new ATOM 0 HA PHE A 82 9.768 9.978 -3.885 1.00 10.00 H new ATOM 0 HB2 PHE A 82 10.225 8.218 -5.376 1.00 10.00 H new ATOM 0 HB3 PHE A 82 10.613 7.544 -3.806 1.00 10.00 H new ATOM 0 HD1 PHE A 82 8.144 6.519 -2.703 1.00 10.00 H new ATOM 0 HD2 PHE A 82 9.467 6.531 -6.796 1.00 10.00 H new ATOM 0 HE1 PHE A 82 6.475 4.765 -3.242 1.00 10.00 H new ATOM 0 HE2 PHE A 82 7.911 4.662 -7.289 1.00 10.00 H new ATOM 0 HZ PHE A 82 6.356 3.830 -5.542 1.00 10.00 H new ATOM 1303 N ALA A 83 7.845 10.225 -5.485 1.00 10.00 N ATOM 1304 CA ALA A 83 6.692 10.736 -6.221 1.00 10.00 C ATOM 1305 C ALA A 83 5.541 9.732 -6.269 1.00 10.00 C ATOM 1306 O ALA A 83 4.405 10.067 -5.938 1.00 10.00 O ATOM 1307 CB ALA A 83 7.128 11.120 -7.639 1.00 10.00 C ATOM 0 H ALA A 83 8.732 10.533 -5.884 1.00 10.00 H new ATOM 0 HA ALA A 83 6.319 11.615 -5.695 1.00 10.00 H new ATOM 0 HB1 ALA A 83 6.270 11.502 -8.192 1.00 10.00 H new ATOM 0 HB2 ALA A 83 7.898 11.889 -7.587 1.00 10.00 H new ATOM 0 HB3 ALA A 83 7.526 10.242 -8.148 1.00 10.00 H new ATOM 1313 N GLY A 84 5.859 8.503 -6.673 1.00 10.00 N ATOM 1314 CA GLY A 84 4.944 7.387 -6.717 1.00 10.00 C ATOM 1315 C GLY A 84 5.381 6.486 -7.861 1.00 10.00 C ATOM 1316 O GLY A 84 6.505 6.617 -8.340 1.00 10.00 O ATOM 0 H GLY A 84 6.798 8.259 -6.988 1.00 10.00 H new ATOM 0 HA2 GLY A 84 4.957 6.842 -5.773 1.00 10.00 H new ATOM 0 HA3 GLY A 84 3.922 7.734 -6.871 1.00 10.00 H new ATOM 1320 N ILE A 85 4.498 5.588 -8.308 1.00 10.00 N ATOM 1321 CA ILE A 85 4.774 4.637 -9.371 1.00 10.00 C ATOM 1322 C ILE A 85 5.298 5.346 -10.617 1.00 10.00 C ATOM 1323 O ILE A 85 6.513 5.396 -10.813 1.00 10.00 O ATOM 1324 CB ILE A 85 3.536 3.745 -9.602 1.00 10.00 C ATOM 1325 CG1 ILE A 85 3.285 2.864 -8.381 1.00 10.00 C ATOM 1326 CG2 ILE A 85 3.606 2.870 -10.868 1.00 10.00 C ATOM 1327 CD1 ILE A 85 4.490 1.997 -8.050 1.00 10.00 C ATOM 0 H ILE A 85 3.555 5.506 -7.929 1.00 10.00 H new ATOM 0 HA ILE A 85 5.581 3.964 -9.080 1.00 10.00 H new ATOM 0 HB ILE A 85 2.706 4.434 -9.757 1.00 10.00 H new ATOM 0 HG12 ILE A 85 3.043 3.492 -7.524 1.00 10.00 H new ATOM 0 HG13 ILE A 85 2.419 2.228 -8.564 1.00 10.00 H new ATOM 0 HG21 ILE A 85 2.695 2.277 -10.951 1.00 10.00 H new ATOM 0 HG22 ILE A 85 3.705 3.508 -11.746 1.00 10.00 H new ATOM 0 HG23 ILE A 85 4.467 2.205 -10.804 1.00 10.00 H new ATOM 0 HD11 ILE A 85 4.269 1.386 -7.175 1.00 10.00 H new ATOM 0 HD12 ILE A 85 4.716 1.349 -8.897 1.00 10.00 H new ATOM 0 HD13 ILE A 85 5.350 2.634 -7.840 1.00 10.00 H new ATOM 1339 N LYS A 86 4.378 5.809 -11.469 1.00 10.00 N ATOM 1340 CA LYS A 86 4.610 6.428 -12.761 1.00 10.00 C ATOM 1341 C LYS A 86 3.392 7.256 -13.175 1.00 10.00 C ATOM 1342 O LYS A 86 3.480 8.466 -13.336 1.00 10.00 O ATOM 1343 CB LYS A 86 4.839 5.344 -13.816 1.00 10.00 C ATOM 1344 CG LYS A 86 5.993 4.427 -13.430 1.00 10.00 C ATOM 1345 CD LYS A 86 6.312 3.535 -14.619 1.00 10.00 C ATOM 1346 CE LYS A 86 7.774 3.378 -15.022 1.00 10.00 C ATOM 1347 NZ LYS A 86 7.837 2.433 -16.157 1.00 10.00 N ATOM 0 H LYS A 86 3.383 5.753 -11.250 1.00 10.00 H new ATOM 0 HA LYS A 86 5.486 7.073 -12.685 1.00 10.00 H new ATOM 0 HB2 LYS A 86 3.930 4.755 -13.938 1.00 10.00 H new ATOM 0 HB3 LYS A 86 5.049 5.810 -14.779 1.00 10.00 H new ATOM 0 HG2 LYS A 86 6.868 5.014 -13.151 1.00 10.00 H new ATOM 0 HG3 LYS A 86 5.724 3.823 -12.563 1.00 10.00 H new ATOM 0 HD2 LYS A 86 5.915 2.542 -14.408 1.00 10.00 H new ATOM 0 HD3 LYS A 86 5.767 3.920 -15.481 1.00 10.00 H new ATOM 0 HE2 LYS A 86 8.197 4.342 -15.305 1.00 10.00 H new ATOM 0 HE3 LYS A 86 8.362 3.006 -14.183 1.00 10.00 H new ATOM 0 HZ1 LYS A 86 8.586 2.730 -16.815 1.00 10.00 H new ATOM 0 HZ2 LYS A 86 8.046 1.478 -15.802 1.00 10.00 H new ATOM 0 HZ3 LYS A 86 6.923 2.426 -16.654 1.00 10.00 H new ATOM 1361 N LYS A 87 2.255 6.578 -13.366 1.00 10.00 N ATOM 1362 CA LYS A 87 1.043 7.136 -13.950 1.00 10.00 C ATOM 1363 C LYS A 87 -0.135 6.227 -13.595 1.00 10.00 C ATOM 1364 O LYS A 87 -0.231 5.804 -12.451 1.00 10.00 O ATOM 1365 CB LYS A 87 1.224 7.368 -15.457 1.00 10.00 C ATOM 1366 CG LYS A 87 1.664 6.134 -16.260 1.00 10.00 C ATOM 1367 CD LYS A 87 1.806 6.467 -17.752 1.00 10.00 C ATOM 1368 CE LYS A 87 0.483 6.957 -18.364 1.00 10.00 C ATOM 1369 NZ LYS A 87 0.544 7.025 -19.839 1.00 10.00 N ATOM 0 H LYS A 87 2.156 5.596 -13.109 1.00 10.00 H new ATOM 0 HA LYS A 87 0.829 8.121 -13.535 1.00 10.00 H new ATOM 0 HB2 LYS A 87 0.283 7.733 -15.868 1.00 10.00 H new ATOM 0 HB3 LYS A 87 1.962 8.157 -15.601 1.00 10.00 H new ATOM 0 HG2 LYS A 87 2.615 5.765 -15.874 1.00 10.00 H new ATOM 0 HG3 LYS A 87 0.936 5.333 -16.131 1.00 10.00 H new ATOM 0 HD2 LYS A 87 2.570 7.233 -17.881 1.00 10.00 H new ATOM 0 HD3 LYS A 87 2.148 5.582 -18.289 1.00 10.00 H new ATOM 0 HE2 LYS A 87 -0.324 6.288 -18.066 1.00 10.00 H new ATOM 0 HE3 LYS A 87 0.243 7.943 -17.966 1.00 10.00 H new ATOM 0 HZ1 LYS A 87 -0.368 7.360 -20.209 1.00 10.00 H new ATOM 0 HZ2 LYS A 87 1.296 7.683 -20.125 1.00 10.00 H new ATOM 0 HZ3 LYS A 87 0.747 6.080 -20.222 1.00 10.00 H new ATOM 1383 N LYS A 88 -1.007 5.880 -14.539 1.00 10.00 N ATOM 1384 CA LYS A 88 -2.140 5.007 -14.263 1.00 10.00 C ATOM 1385 C LYS A 88 -1.839 3.578 -14.698 1.00 10.00 C ATOM 1386 O LYS A 88 -2.147 2.650 -13.966 1.00 10.00 O ATOM 1387 CB LYS A 88 -3.436 5.579 -14.847 1.00 10.00 C ATOM 1388 CG LYS A 88 -3.429 5.910 -16.344 1.00 10.00 C ATOM 1389 CD LYS A 88 -4.826 6.429 -16.714 1.00 10.00 C ATOM 1390 CE LYS A 88 -4.877 6.970 -18.150 1.00 10.00 C ATOM 1391 NZ LYS A 88 -6.198 7.557 -18.466 1.00 10.00 N ATOM 0 H LYS A 88 -0.947 6.194 -15.508 1.00 10.00 H new ATOM 0 HA LYS A 88 -2.303 4.963 -13.186 1.00 10.00 H new ATOM 0 HB2 LYS A 88 -4.238 4.865 -14.660 1.00 10.00 H new ATOM 0 HB3 LYS A 88 -3.684 6.488 -14.299 1.00 10.00 H new ATOM 0 HG2 LYS A 88 -2.671 6.661 -16.566 1.00 10.00 H new ATOM 0 HG3 LYS A 88 -3.182 5.025 -16.930 1.00 10.00 H new ATOM 0 HD2 LYS A 88 -5.553 5.624 -16.604 1.00 10.00 H new ATOM 0 HD3 LYS A 88 -5.116 7.217 -16.019 1.00 10.00 H new ATOM 0 HE2 LYS A 88 -4.102 7.725 -18.282 1.00 10.00 H new ATOM 0 HE3 LYS A 88 -4.660 6.164 -18.851 1.00 10.00 H new ATOM 0 HZ1 LYS A 88 -6.195 7.912 -19.444 1.00 10.00 H new ATOM 0 HZ2 LYS A 88 -6.934 6.830 -18.364 1.00 10.00 H new ATOM 0 HZ3 LYS A 88 -6.394 8.342 -17.813 1.00 10.00 H new ATOM 1405 N THR A 89 -1.203 3.404 -15.858 1.00 10.00 N ATOM 1406 CA THR A 89 -0.966 2.123 -16.500 1.00 10.00 C ATOM 1407 C THR A 89 -0.276 1.164 -15.528 1.00 10.00 C ATOM 1408 O THR A 89 -0.897 0.246 -14.994 1.00 10.00 O ATOM 1409 CB THR A 89 -0.143 2.425 -17.768 1.00 10.00 C ATOM 1410 OG1 THR A 89 -0.715 3.549 -18.423 1.00 10.00 O ATOM 1411 CG2 THR A 89 -0.070 1.233 -18.722 1.00 10.00 C ATOM 0 H THR A 89 -0.826 4.187 -16.392 1.00 10.00 H new ATOM 0 HA THR A 89 -1.888 1.617 -16.786 1.00 10.00 H new ATOM 0 HB THR A 89 0.882 2.638 -17.465 1.00 10.00 H new ATOM 0 HG1 THR A 89 -0.200 3.754 -19.231 1.00 10.00 H new ATOM 0 HG21 THR A 89 0.521 1.503 -19.597 1.00 10.00 H new ATOM 0 HG22 THR A 89 0.397 0.389 -18.215 1.00 10.00 H new ATOM 0 HG23 THR A 89 -1.076 0.956 -19.036 1.00 10.00 H new ATOM 1419 N GLU A 90 0.991 1.437 -15.220 1.00 10.00 N ATOM 1420 CA GLU A 90 1.731 0.638 -14.271 1.00 10.00 C ATOM 1421 C GLU A 90 1.036 0.522 -12.913 1.00 10.00 C ATOM 1422 O GLU A 90 1.041 -0.539 -12.300 1.00 10.00 O ATOM 1423 CB GLU A 90 3.088 1.307 -14.112 1.00 10.00 C ATOM 1424 CG GLU A 90 4.033 0.881 -15.257 1.00 10.00 C ATOM 1425 CD GLU A 90 4.204 1.953 -16.325 1.00 10.00 C ATOM 1426 OE1 GLU A 90 3.230 2.718 -16.521 1.00 10.00 O ATOM 1427 OE2 GLU A 90 5.341 2.032 -16.858 1.00 10.00 O ATOM 0 H GLU A 90 1.520 2.211 -15.621 1.00 10.00 H new ATOM 0 HA GLU A 90 1.814 -0.383 -14.644 1.00 10.00 H new ATOM 0 HB2 GLU A 90 2.969 2.391 -14.113 1.00 10.00 H new ATOM 0 HB3 GLU A 90 3.525 1.035 -13.151 1.00 10.00 H new ATOM 0 HG2 GLU A 90 5.009 0.634 -14.840 1.00 10.00 H new ATOM 0 HG3 GLU A 90 3.645 -0.026 -15.721 1.00 10.00 H new ATOM 1434 N ARG A 91 0.479 1.625 -12.415 1.00 10.00 N ATOM 1435 CA ARG A 91 -0.177 1.667 -11.112 1.00 10.00 C ATOM 1436 C ARG A 91 -1.364 0.685 -11.093 1.00 10.00 C ATOM 1437 O ARG A 91 -1.617 0.007 -10.098 1.00 10.00 O ATOM 1438 CB ARG A 91 -0.573 3.128 -10.839 1.00 10.00 C ATOM 1439 CG ARG A 91 -0.647 3.519 -9.359 1.00 10.00 C ATOM 1440 CD ARG A 91 -0.948 5.025 -9.215 1.00 10.00 C ATOM 1441 NE ARG A 91 0.136 5.780 -8.551 1.00 10.00 N ATOM 1442 CZ ARG A 91 1.074 6.560 -9.119 1.00 10.00 C ATOM 1443 NH1 ARG A 91 1.136 6.728 -10.434 1.00 10.00 N ATOM 1444 NH2 ARG A 91 1.988 7.180 -8.375 1.00 10.00 N ATOM 0 H ARG A 91 0.471 2.518 -12.908 1.00 10.00 H new ATOM 0 HA ARG A 91 0.484 1.343 -10.308 1.00 10.00 H new ATOM 0 HB2 ARG A 91 0.145 3.781 -11.335 1.00 10.00 H new ATOM 0 HB3 ARG A 91 -1.544 3.316 -11.297 1.00 10.00 H new ATOM 0 HG2 ARG A 91 -1.423 2.937 -8.861 1.00 10.00 H new ATOM 0 HG3 ARG A 91 0.296 3.281 -8.866 1.00 10.00 H new ATOM 0 HD2 ARG A 91 -1.123 5.449 -10.204 1.00 10.00 H new ATOM 0 HD3 ARG A 91 -1.869 5.151 -8.646 1.00 10.00 H new ATOM 0 HE ARG A 91 0.178 5.700 -7.535 1.00 10.00 H new ATOM 0 HH11 ARG A 91 0.462 6.260 -11.040 1.00 10.00 H new ATOM 0 HH12 ARG A 91 1.857 7.325 -10.838 1.00 10.00 H new ATOM 0 HH21 ARG A 91 1.983 7.067 -7.361 1.00 10.00 H new ATOM 0 HH22 ARG A 91 2.693 7.768 -8.819 1.00 10.00 H new ATOM 1458 N GLU A 92 -2.063 0.582 -12.224 1.00 10.00 N ATOM 1459 CA GLU A 92 -3.215 -0.283 -12.418 1.00 10.00 C ATOM 1460 C GLU A 92 -2.755 -1.739 -12.498 1.00 10.00 C ATOM 1461 O GLU A 92 -3.297 -2.613 -11.815 1.00 10.00 O ATOM 1462 CB GLU A 92 -3.976 0.176 -13.673 1.00 10.00 C ATOM 1463 CG GLU A 92 -5.045 -0.839 -14.073 1.00 10.00 C ATOM 1464 CD GLU A 92 -6.030 -0.348 -15.120 1.00 10.00 C ATOM 1465 OE1 GLU A 92 -6.011 0.865 -15.430 1.00 10.00 O ATOM 1466 OE2 GLU A 92 -6.765 -1.239 -15.603 1.00 10.00 O ATOM 0 H GLU A 92 -1.829 1.121 -13.058 1.00 10.00 H new ATOM 0 HA GLU A 92 -3.902 -0.216 -11.574 1.00 10.00 H new ATOM 0 HB2 GLU A 92 -4.442 1.144 -13.486 1.00 10.00 H new ATOM 0 HB3 GLU A 92 -3.275 0.314 -14.496 1.00 10.00 H new ATOM 0 HG2 GLU A 92 -4.552 -1.735 -14.450 1.00 10.00 H new ATOM 0 HG3 GLU A 92 -5.600 -1.132 -13.182 1.00 10.00 H new ATOM 1473 N ASP A 93 -1.736 -2.001 -13.322 1.00 10.00 N ATOM 1474 CA ASP A 93 -1.092 -3.308 -13.383 1.00 10.00 C ATOM 1475 C ASP A 93 -0.730 -3.755 -11.960 1.00 10.00 C ATOM 1476 O ASP A 93 -1.038 -4.870 -11.538 1.00 10.00 O ATOM 1477 CB ASP A 93 0.146 -3.250 -14.293 1.00 10.00 C ATOM 1478 CG ASP A 93 -0.162 -2.878 -15.740 1.00 10.00 C ATOM 1479 OD1 ASP A 93 -1.260 -3.253 -16.209 1.00 10.00 O ATOM 1480 OD2 ASP A 93 0.716 -2.237 -16.357 1.00 10.00 O ATOM 0 H ASP A 93 -1.339 -1.313 -13.962 1.00 10.00 H new ATOM 0 HA ASP A 93 -1.775 -4.041 -13.813 1.00 10.00 H new ATOM 0 HB2 ASP A 93 0.850 -2.525 -13.885 1.00 10.00 H new ATOM 0 HB3 ASP A 93 0.642 -4.221 -14.276 1.00 10.00 H new ATOM 1485 N LEU A 94 -0.131 -2.842 -11.189 1.00 10.00 N ATOM 1486 CA LEU A 94 0.174 -3.039 -9.779 1.00 10.00 C ATOM 1487 C LEU A 94 -1.052 -3.551 -9.018 1.00 10.00 C ATOM 1488 O LEU A 94 -0.993 -4.641 -8.446 1.00 10.00 O ATOM 1489 CB LEU A 94 0.728 -1.746 -9.157 1.00 10.00 C ATOM 1490 CG LEU A 94 1.947 -2.005 -8.273 1.00 10.00 C ATOM 1491 CD1 LEU A 94 2.558 -0.683 -7.842 1.00 10.00 C ATOM 1492 CD2 LEU A 94 1.626 -2.826 -7.040 1.00 10.00 C ATOM 0 H LEU A 94 0.159 -1.929 -11.540 1.00 10.00 H new ATOM 0 HA LEU A 94 0.948 -3.803 -9.699 1.00 10.00 H new ATOM 0 HB2 LEU A 94 0.999 -1.050 -9.951 1.00 10.00 H new ATOM 0 HB3 LEU A 94 -0.052 -1.267 -8.565 1.00 10.00 H new ATOM 0 HG LEU A 94 2.650 -2.582 -8.874 1.00 10.00 H new ATOM 0 HD11 LEU A 94 3.427 -0.872 -7.212 1.00 10.00 H new ATOM 0 HD12 LEU A 94 2.865 -0.119 -8.723 1.00 10.00 H new ATOM 0 HD13 LEU A 94 1.822 -0.107 -7.281 1.00 10.00 H new ATOM 0 HD21 LEU A 94 2.534 -2.974 -6.455 1.00 10.00 H new ATOM 0 HD22 LEU A 94 0.887 -2.301 -6.435 1.00 10.00 H new ATOM 0 HD23 LEU A 94 1.226 -3.794 -7.341 1.00 10.00 H new ATOM 1504 N ILE A 95 -2.158 -2.788 -9.019 1.00 10.00 N ATOM 1505 CA ILE A 95 -3.416 -3.217 -8.414 1.00 10.00 C ATOM 1506 C ILE A 95 -3.761 -4.650 -8.822 1.00 10.00 C ATOM 1507 O ILE A 95 -4.137 -5.449 -7.968 1.00 10.00 O ATOM 1508 CB ILE A 95 -4.568 -2.233 -8.740 1.00 10.00 C ATOM 1509 CG1 ILE A 95 -4.705 -1.168 -7.649 1.00 10.00 C ATOM 1510 CG2 ILE A 95 -5.940 -2.920 -8.858 1.00 10.00 C ATOM 1511 CD1 ILE A 95 -3.661 -0.064 -7.735 1.00 10.00 C ATOM 0 H ILE A 95 -2.198 -1.860 -9.440 1.00 10.00 H new ATOM 0 HA ILE A 95 -3.285 -3.207 -7.332 1.00 10.00 H new ATOM 0 HB ILE A 95 -4.298 -1.795 -9.701 1.00 10.00 H new ATOM 0 HG12 ILE A 95 -5.698 -0.722 -7.712 1.00 10.00 H new ATOM 0 HG13 ILE A 95 -4.633 -1.649 -6.673 1.00 10.00 H new ATOM 0 HG21 ILE A 95 -6.702 -2.175 -9.087 1.00 10.00 H new ATOM 0 HG22 ILE A 95 -5.908 -3.663 -9.655 1.00 10.00 H new ATOM 0 HG23 ILE A 95 -6.184 -3.410 -7.915 1.00 10.00 H new ATOM 0 HD11 ILE A 95 -3.822 0.653 -6.930 1.00 10.00 H new ATOM 0 HD12 ILE A 95 -2.665 -0.497 -7.641 1.00 10.00 H new ATOM 0 HD13 ILE A 95 -3.747 0.444 -8.696 1.00 10.00 H new ATOM 1523 N ALA A 96 -3.672 -4.972 -10.114 1.00 10.00 N ATOM 1524 CA ALA A 96 -4.049 -6.295 -10.597 1.00 10.00 C ATOM 1525 C ALA A 96 -3.280 -7.404 -9.884 1.00 10.00 C ATOM 1526 O ALA A 96 -3.890 -8.361 -9.405 1.00 10.00 O ATOM 1527 CB ALA A 96 -3.860 -6.397 -12.103 1.00 10.00 C ATOM 0 H ALA A 96 -3.343 -4.335 -10.840 1.00 10.00 H new ATOM 0 HA ALA A 96 -5.106 -6.431 -10.369 1.00 10.00 H new ATOM 0 HB1 ALA A 96 -4.148 -7.393 -12.439 1.00 10.00 H new ATOM 0 HB2 ALA A 96 -4.483 -5.653 -12.599 1.00 10.00 H new ATOM 0 HB3 ALA A 96 -2.814 -6.219 -12.351 1.00 10.00 H new ATOM 1533 N TYR A 97 -1.952 -7.276 -9.798 1.00 10.00 N ATOM 1534 CA TYR A 97 -1.167 -8.199 -8.988 1.00 10.00 C ATOM 1535 C TYR A 97 -1.684 -8.184 -7.559 1.00 10.00 C ATOM 1536 O TYR A 97 -2.106 -9.212 -7.032 1.00 10.00 O ATOM 1537 CB TYR A 97 0.316 -7.830 -9.007 1.00 10.00 C ATOM 1538 CG TYR A 97 1.149 -8.587 -7.990 1.00 10.00 C ATOM 1539 CD1 TYR A 97 1.332 -9.975 -8.130 1.00 10.00 C ATOM 1540 CD2 TYR A 97 1.700 -7.918 -6.880 1.00 10.00 C ATOM 1541 CE1 TYR A 97 2.123 -10.676 -7.205 1.00 10.00 C ATOM 1542 CE2 TYR A 97 2.487 -8.624 -5.954 1.00 10.00 C ATOM 1543 CZ TYR A 97 2.722 -9.997 -6.132 1.00 10.00 C ATOM 1544 OH TYR A 97 3.534 -10.677 -5.276 1.00 10.00 O ATOM 0 H TYR A 97 -1.410 -6.554 -10.272 1.00 10.00 H new ATOM 0 HA TYR A 97 -1.271 -9.199 -9.409 1.00 10.00 H new ATOM 0 HB2 TYR A 97 0.715 -8.020 -10.003 1.00 10.00 H new ATOM 0 HB3 TYR A 97 0.417 -6.761 -8.822 1.00 10.00 H new ATOM 0 HD1 TYR A 97 0.864 -10.501 -8.949 1.00 10.00 H new ATOM 0 HD2 TYR A 97 1.518 -6.863 -6.740 1.00 10.00 H new ATOM 0 HE1 TYR A 97 2.271 -11.740 -7.319 1.00 10.00 H new ATOM 0 HE2 TYR A 97 2.912 -8.110 -5.104 1.00 10.00 H new ATOM 0 HH TYR A 97 3.871 -10.065 -4.589 1.00 10.00 H new ATOM 1554 N LEU A 98 -1.625 -7.006 -6.942 1.00 10.00 N ATOM 1555 CA LEU A 98 -1.993 -6.793 -5.558 1.00 10.00 C ATOM 1556 C LEU A 98 -3.276 -7.533 -5.178 1.00 10.00 C ATOM 1557 O LEU A 98 -3.272 -8.275 -4.202 1.00 10.00 O ATOM 1558 CB LEU A 98 -2.056 -5.285 -5.263 1.00 10.00 C ATOM 1559 CG LEU A 98 -1.135 -4.893 -4.097 1.00 10.00 C ATOM 1560 CD1 LEU A 98 -0.070 -3.898 -4.534 1.00 10.00 C ATOM 1561 CD2 LEU A 98 -1.939 -4.268 -2.969 1.00 10.00 C ATOM 0 H LEU A 98 -1.311 -6.156 -7.409 1.00 10.00 H new ATOM 0 HA LEU A 98 -1.220 -7.224 -4.922 1.00 10.00 H new ATOM 0 HB2 LEU A 98 -1.770 -4.728 -6.155 1.00 10.00 H new ATOM 0 HB3 LEU A 98 -3.082 -5.003 -5.026 1.00 10.00 H new ATOM 0 HG LEU A 98 -0.651 -5.808 -3.754 1.00 10.00 H new ATOM 0 HD11 LEU A 98 0.562 -3.644 -3.683 1.00 10.00 H new ATOM 0 HD12 LEU A 98 0.541 -4.341 -5.321 1.00 10.00 H new ATOM 0 HD13 LEU A 98 -0.549 -2.995 -4.912 1.00 10.00 H new ATOM 0 HD21 LEU A 98 -1.270 -3.997 -2.152 1.00 10.00 H new ATOM 0 HD22 LEU A 98 -2.446 -3.375 -3.335 1.00 10.00 H new ATOM 0 HD23 LEU A 98 -2.679 -4.983 -2.610 1.00 10.00 H new ATOM 1573 N LYS A 99 -4.363 -7.365 -5.936 1.00 10.00 N ATOM 1574 CA LYS A 99 -5.627 -8.047 -5.670 1.00 10.00 C ATOM 1575 C LYS A 99 -5.460 -9.556 -5.485 1.00 10.00 C ATOM 1576 O LYS A 99 -6.060 -10.132 -4.580 1.00 10.00 O ATOM 1577 CB LYS A 99 -6.651 -7.753 -6.772 1.00 10.00 C ATOM 1578 CG LYS A 99 -7.218 -6.336 -6.630 1.00 10.00 C ATOM 1579 CD LYS A 99 -8.424 -6.155 -7.560 1.00 10.00 C ATOM 1580 CE LYS A 99 -9.096 -4.801 -7.295 1.00 10.00 C ATOM 1581 NZ LYS A 99 -10.257 -4.576 -8.176 1.00 10.00 N ATOM 0 H LYS A 99 -4.389 -6.752 -6.751 1.00 10.00 H new ATOM 0 HA LYS A 99 -5.998 -7.650 -4.725 1.00 10.00 H new ATOM 0 HB2 LYS A 99 -6.181 -7.864 -7.749 1.00 10.00 H new ATOM 0 HB3 LYS A 99 -7.462 -8.480 -6.723 1.00 10.00 H new ATOM 0 HG2 LYS A 99 -7.516 -6.157 -5.597 1.00 10.00 H new ATOM 0 HG3 LYS A 99 -6.449 -5.602 -6.872 1.00 10.00 H new ATOM 0 HD2 LYS A 99 -8.103 -6.213 -8.600 1.00 10.00 H new ATOM 0 HD3 LYS A 99 -9.139 -6.962 -7.402 1.00 10.00 H new ATOM 0 HE2 LYS A 99 -9.417 -4.753 -6.254 1.00 10.00 H new ATOM 0 HE3 LYS A 99 -8.370 -4.001 -7.442 1.00 10.00 H new ATOM 0 HZ1 LYS A 99 -10.524 -3.571 -8.149 1.00 10.00 H new ATOM 0 HZ2 LYS A 99 -10.010 -4.843 -9.150 1.00 10.00 H new ATOM 0 HZ3 LYS A 99 -11.057 -5.155 -7.851 1.00 10.00 H new ATOM 1595 N LYS A 100 -4.667 -10.201 -6.339 1.00 10.00 N ATOM 1596 CA LYS A 100 -4.403 -11.627 -6.208 1.00 10.00 C ATOM 1597 C LYS A 100 -3.530 -11.841 -4.976 1.00 10.00 C ATOM 1598 O LYS A 100 -3.884 -12.577 -4.061 1.00 10.00 O ATOM 1599 CB LYS A 100 -3.704 -12.137 -7.474 1.00 10.00 C ATOM 1600 CG LYS A 100 -4.631 -12.013 -8.686 1.00 10.00 C ATOM 1601 CD LYS A 100 -5.494 -13.274 -8.874 1.00 10.00 C ATOM 1602 CE LYS A 100 -6.959 -12.924 -9.171 1.00 10.00 C ATOM 1603 NZ LYS A 100 -7.756 -14.127 -9.496 1.00 10.00 N ATOM 0 H LYS A 100 -4.198 -9.756 -7.128 1.00 10.00 H new ATOM 0 HA LYS A 100 -5.333 -12.183 -6.090 1.00 10.00 H new ATOM 0 HB2 LYS A 100 -2.791 -11.567 -7.647 1.00 10.00 H new ATOM 0 HB3 LYS A 100 -3.409 -13.178 -7.339 1.00 10.00 H new ATOM 0 HG2 LYS A 100 -5.278 -11.144 -8.562 1.00 10.00 H new ATOM 0 HG3 LYS A 100 -4.036 -11.842 -9.583 1.00 10.00 H new ATOM 0 HD2 LYS A 100 -5.090 -13.872 -9.691 1.00 10.00 H new ATOM 0 HD3 LYS A 100 -5.442 -13.887 -7.974 1.00 10.00 H new ATOM 0 HE2 LYS A 100 -7.395 -12.422 -8.308 1.00 10.00 H new ATOM 0 HE3 LYS A 100 -7.003 -12.222 -10.004 1.00 10.00 H new ATOM 0 HZ1 LYS A 100 -8.739 -13.850 -9.690 1.00 10.00 H new ATOM 0 HZ2 LYS A 100 -7.355 -14.593 -10.335 1.00 10.00 H new ATOM 0 HZ3 LYS A 100 -7.735 -14.785 -8.691 1.00 10.00 H new ATOM 1617 N ALA A 101 -2.391 -11.155 -4.976 1.00 10.00 N ATOM 1618 CA ALA A 101 -1.300 -11.383 -4.043 1.00 10.00 C ATOM 1619 C ALA A 101 -1.766 -11.235 -2.596 1.00 10.00 C ATOM 1620 O ALA A 101 -1.630 -12.135 -1.780 1.00 10.00 O ATOM 1621 CB ALA A 101 -0.168 -10.414 -4.378 1.00 10.00 C ATOM 0 H ALA A 101 -2.200 -10.407 -5.643 1.00 10.00 H new ATOM 0 HA ALA A 101 -0.938 -12.406 -4.142 1.00 10.00 H new ATOM 0 HB1 ALA A 101 0.661 -10.570 -3.688 1.00 10.00 H new ATOM 0 HB2 ALA A 101 0.172 -10.590 -5.399 1.00 10.00 H new ATOM 0 HB3 ALA A 101 -0.528 -9.389 -4.287 1.00 10.00 H new ATOM 1627 N THR A 102 -2.364 -10.088 -2.278 1.00 10.00 N ATOM 1628 CA THR A 102 -2.869 -9.831 -0.939 1.00 10.00 C ATOM 1629 C THR A 102 -3.838 -10.925 -0.480 1.00 10.00 C ATOM 1630 O THR A 102 -3.872 -11.259 0.704 1.00 10.00 O ATOM 1631 CB THR A 102 -3.542 -8.459 -0.897 1.00 10.00 C ATOM 1632 OG1 THR A 102 -4.580 -8.381 -1.848 1.00 10.00 O ATOM 1633 CG2 THR A 102 -2.540 -7.330 -1.144 1.00 10.00 C ATOM 0 H THR A 102 -2.509 -9.322 -2.936 1.00 10.00 H new ATOM 0 HA THR A 102 -2.026 -9.839 -0.249 1.00 10.00 H new ATOM 0 HB THR A 102 -3.958 -8.338 0.103 1.00 10.00 H new ATOM 0 HG1 THR A 102 -4.196 -8.337 -2.749 1.00 10.00 H new ATOM 0 HG21 THR A 102 -3.056 -6.371 -1.106 1.00 10.00 H new ATOM 0 HG22 THR A 102 -1.766 -7.356 -0.377 1.00 10.00 H new ATOM 0 HG23 THR A 102 -2.083 -7.458 -2.125 1.00 10.00 H new ATOM 1641 N ASN A 103 -4.637 -11.457 -1.410 1.00 10.00 N ATOM 1642 CA ASN A 103 -5.584 -12.522 -1.129 1.00 10.00 C ATOM 1643 C ASN A 103 -4.819 -13.809 -0.801 1.00 10.00 C ATOM 1644 O ASN A 103 -4.990 -14.353 0.290 1.00 10.00 O ATOM 1645 CB ASN A 103 -6.557 -12.660 -2.309 1.00 10.00 C ATOM 1646 CG ASN A 103 -7.796 -13.484 -1.979 1.00 10.00 C ATOM 1647 OD1 ASN A 103 -7.773 -14.381 -1.148 1.00 10.00 O ATOM 1648 ND2 ASN A 103 -8.915 -13.168 -2.628 1.00 10.00 N ATOM 0 H ASN A 103 -4.639 -11.153 -2.384 1.00 10.00 H new ATOM 0 HA ASN A 103 -6.190 -12.292 -0.253 1.00 10.00 H new ATOM 0 HB2 ASN A 103 -6.866 -11.666 -2.633 1.00 10.00 H new ATOM 0 HB3 ASN A 103 -6.036 -13.121 -3.148 1.00 10.00 H new ATOM 0 HD21 ASN A 103 -9.777 -13.678 -2.436 1.00 10.00 H new ATOM 0 HD22 ASN A 103 -8.910 -12.416 -3.317 1.00 10.00 H new ATOM 1655 N GLU A 104 -3.946 -14.248 -1.713 1.00 10.00 N ATOM 1656 CA GLU A 104 -3.073 -15.399 -1.527 1.00 10.00 C ATOM 1657 C GLU A 104 -1.688 -15.091 -2.100 1.00 10.00 C ATOM 1658 O GLU A 104 -0.713 -15.198 -1.324 1.00 10.00 O ATOM 1659 CB GLU A 104 -3.655 -16.634 -2.227 1.00 10.00 C ATOM 1660 CG GLU A 104 -5.008 -17.075 -1.657 1.00 10.00 C ATOM 1661 CD GLU A 104 -5.433 -18.411 -2.249 1.00 10.00 C ATOM 1662 OE1 GLU A 104 -4.934 -19.440 -1.745 1.00 10.00 O ATOM 1663 OE2 GLU A 104 -6.237 -18.383 -3.207 1.00 10.00 O ATOM 1664 OXT GLU A 104 -1.632 -14.790 -3.315 1.00 10.00 O ATOM 0 H GLU A 104 -3.828 -13.798 -2.621 1.00 10.00 H new ATOM 0 HA GLU A 104 -2.991 -15.607 -0.460 1.00 10.00 H new ATOM 0 HB2 GLU A 104 -3.769 -16.420 -3.290 1.00 10.00 H new ATOM 0 HB3 GLU A 104 -2.947 -17.458 -2.142 1.00 10.00 H new ATOM 0 HG2 GLU A 104 -4.941 -17.157 -0.572 1.00 10.00 H new ATOM 0 HG3 GLU A 104 -5.763 -16.319 -1.874 1.00 10.00 H new