USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 832 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 19 THR OG1 : rot 170:sc= 0 USER MOD Set 1.2: A 31 ASN : amide:sc= -4.01 K(o=-4,f=-0.48) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 144:sc= -0.524 (180deg=-2.86!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl 150:sc= -0.48 (180deg=-2.19!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 139:sc= 0.709 USER MOD Single : A 15 SER OG : rot 88:sc= 1.02 USER MOD Single : A 16 GLN : amide:sc= -0.0613 K(o=-0.061,f=-1.7!) USER MOD Single : A 17 CYS SG : rot 180:sc= -0.099 USER MOD Single : A 18 HIS : no HE2:sc= -7.75! C(o=-7.8!,f=-12!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -114:sc= -0.0785 (180deg=-1.73!) USER MOD Single : A 26 HIS : no HD1:sc= -15.5! C(o=-16!,f=-16!) USER MOD Single : A 27 LYS NZ :NH3+ -106:sc= -0.198 (180deg=-2.74!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -5.21 K(o=-5.2,f=-7.8!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 49:sc= -0.705 USER MOD Single : A 42 GLN : amide:sc= -1.35 K(o=-1.3,f=-0.83) USER MOD Single : A 46 TYR OH : rot 30:sc= -0.403 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= -1.14 USER MOD Single : A 52 ASN : amide:sc= -7.44! C(o=-7.4!,f=-8!) USER MOD Single : A 53 LYS NZ :NH3+ 159:sc=-0.00898 (180deg=-0.226) USER MOD Single : A 54 ASN : amide:sc= -0.109 K(o=-0.11,f=-1) USER MOD Single : A 55 LYS NZ :NH3+ 140:sc= -2.58! (180deg=-4.14!) USER MOD Single : A 63 THR OG1 : rot -110:sc= -1.32 USER MOD Single : A 65 MET CE :methyl -144:sc= -0.0494 (180deg=-0.162) USER MOD Single : A 67 TYR OH : rot -148:sc= 1.42 USER MOD Single : A 70 ASN : amide:sc= -0.758 K(o=-0.76,f=-1.3!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 157:sc= -0.133 (180deg=-0.727) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.392 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.487 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -140:sc= -0.385 (180deg=-2.52!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -164:sc= -0.012 (180deg=-0.251) USER MOD Single : A 88 LYS NZ :NH3+ -156:sc= -0.0488 (180deg=-0.391) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -174:sc= -6.07! (180deg=-6.34!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -0.176 K(o=-0.18,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.669 -0.405 0.236 1.00 73.12 N ATOM 2 CA GLY A 1 1.425 -0.467 -1.003 1.00 23.12 C ATOM 3 C GLY A 1 1.549 -1.910 -1.498 1.00 15.10 C ATOM 4 O GLY A 1 2.651 -2.384 -1.769 1.00 23.01 O ATOM 0 H1 GLY A 1 0.599 0.584 0.551 1.00 73.12 H new ATOM 0 H2 GLY A 1 -0.286 -0.787 0.080 1.00 73.12 H new ATOM 0 H3 GLY A 1 1.152 -0.967 0.966 1.00 73.12 H new ATOM 0 HA2 GLY A 1 0.935 0.141 -1.763 1.00 23.12 H new ATOM 0 HA3 GLY A 1 2.418 -0.045 -0.849 1.00 23.12 H new ATOM 8 N ASP A 2 0.403 -2.567 -1.601 1.00 31.34 N ATOM 9 CA ASP A 2 0.370 -3.945 -2.059 1.00 62.51 C ATOM 10 C ASP A 2 0.857 -4.009 -3.507 1.00 14.32 C ATOM 11 O ASP A 2 0.106 -3.703 -4.433 1.00 25.10 O ATOM 12 CB ASP A 2 -1.053 -4.507 -2.013 1.00 74.02 C ATOM 13 CG ASP A 2 -1.146 -6.016 -1.782 1.00 73.22 C ATOM 14 OD1 ASP A 2 -0.124 -6.703 -1.634 1.00 54.32 O ATOM 15 OD2 ASP A 2 -2.345 -6.491 -1.755 1.00 63.02 O1- ATOM 0 H ASP A 2 -0.509 -2.170 -1.375 1.00 31.34 H new ATOM 0 HA ASP A 2 1.012 -4.533 -1.403 1.00 62.51 H new ATOM 0 HB2 ASP A 2 -1.602 -3.999 -1.220 1.00 74.02 H new ATOM 0 HB3 ASP A 2 -1.553 -4.267 -2.952 1.00 74.02 H new ATOM 21 N VAL A 3 2.110 -4.410 -3.660 1.00 32.11 N ATOM 22 CA VAL A 3 2.707 -4.518 -4.981 1.00 21.23 C ATOM 23 C VAL A 3 1.990 -5.615 -5.769 1.00 32.03 C ATOM 24 O VAL A 3 2.096 -5.674 -6.994 1.00 72.34 O ATOM 25 CB VAL A 3 4.213 -4.756 -4.857 1.00 43.02 C ATOM 26 CG1 VAL A 3 4.506 -5.948 -3.945 1.00 11.15 C ATOM 27 CG2 VAL A 3 4.853 -4.947 -6.233 1.00 25.11 C ATOM 0 H VAL A 3 2.729 -4.664 -2.891 1.00 32.11 H new ATOM 0 HA VAL A 3 2.585 -3.587 -5.534 1.00 21.23 H new ATOM 0 HB VAL A 3 4.656 -3.870 -4.402 1.00 43.02 H new ATOM 0 HG11 VAL A 3 5.584 -6.096 -3.874 1.00 11.15 H new ATOM 0 HG12 VAL A 3 4.100 -5.755 -2.952 1.00 11.15 H new ATOM 0 HG13 VAL A 3 4.044 -6.844 -4.358 1.00 11.15 H new ATOM 0 HG21 VAL A 3 5.924 -5.114 -6.116 1.00 25.11 H new ATOM 0 HG22 VAL A 3 4.403 -5.808 -6.727 1.00 25.11 H new ATOM 0 HG23 VAL A 3 4.689 -4.055 -6.838 1.00 25.11 H new ATOM 37 N GLU A 4 1.279 -6.458 -5.037 1.00 73.22 N ATOM 38 CA GLU A 4 0.545 -7.551 -5.654 1.00 63.21 C ATOM 39 C GLU A 4 -0.697 -7.019 -6.371 1.00 2.11 C ATOM 40 O GLU A 4 -0.833 -7.174 -7.583 1.00 24.52 O ATOM 41 CB GLU A 4 0.169 -8.612 -4.618 1.00 11.11 C ATOM 42 CG GLU A 4 1.407 -9.119 -3.876 1.00 4.20 C ATOM 43 CD GLU A 4 2.256 -10.019 -4.777 1.00 44.00 C ATOM 44 OE1 GLU A 4 3.472 -9.807 -4.896 1.00 12.45 O ATOM 45 OE2 GLU A 4 1.608 -10.967 -5.366 1.00 23.24 O1- ATOM 0 H GLU A 4 1.195 -6.407 -4.022 1.00 73.22 H new ATOM 0 HA GLU A 4 1.191 -8.025 -6.393 1.00 63.21 H new ATOM 0 HB2 GLU A 4 -0.540 -8.193 -3.904 1.00 11.11 H new ATOM 0 HB3 GLU A 4 -0.330 -9.446 -5.111 1.00 11.11 H new ATOM 0 HG2 GLU A 4 2.003 -8.273 -3.536 1.00 4.20 H new ATOM 0 HG3 GLU A 4 1.102 -9.672 -2.987 1.00 4.20 H new ATOM 53 N LYS A 5 -1.573 -6.402 -5.590 1.00 75.34 N ATOM 54 CA LYS A 5 -2.799 -5.846 -6.135 1.00 44.05 C ATOM 55 C LYS A 5 -2.452 -4.783 -7.178 1.00 71.23 C ATOM 56 O LYS A 5 -2.858 -4.887 -8.335 1.00 12.12 O ATOM 57 CB LYS A 5 -3.701 -5.334 -5.010 1.00 52.33 C ATOM 58 CG LYS A 5 -4.222 -6.490 -4.154 1.00 25.44 C ATOM 59 CD LYS A 5 -5.414 -7.176 -4.826 1.00 53.34 C ATOM 60 CE LYS A 5 -6.337 -7.813 -3.785 1.00 54.44 C ATOM 61 NZ LYS A 5 -7.528 -8.400 -4.439 1.00 55.34 N1+ ATOM 0 H LYS A 5 -1.457 -6.275 -4.585 1.00 75.34 H new ATOM 0 HA LYS A 5 -3.374 -6.618 -6.646 1.00 44.05 H new ATOM 0 HB2 LYS A 5 -3.146 -4.635 -4.384 1.00 52.33 H new ATOM 0 HB3 LYS A 5 -4.541 -4.784 -5.435 1.00 52.33 H new ATOM 0 HG2 LYS A 5 -3.425 -7.215 -3.992 1.00 25.44 H new ATOM 0 HG3 LYS A 5 -4.518 -6.117 -3.174 1.00 25.44 H new ATOM 0 HD2 LYS A 5 -5.972 -6.449 -5.416 1.00 53.34 H new ATOM 0 HD3 LYS A 5 -5.057 -7.940 -5.517 1.00 53.34 H new ATOM 0 HE2 LYS A 5 -5.798 -8.586 -3.237 1.00 54.44 H new ATOM 0 HE3 LYS A 5 -6.647 -7.063 -3.057 1.00 54.44 H new ATOM 0 HZ1 LYS A 5 -8.144 -8.828 -3.719 1.00 55.34 H new ATOM 0 HZ2 LYS A 5 -8.050 -7.655 -4.943 1.00 55.34 H new ATOM 0 HZ3 LYS A 5 -7.228 -9.130 -5.116 1.00 55.34 H new ATOM 74 N GLY A 6 -1.706 -3.783 -6.732 1.00 50.24 N ATOM 75 CA GLY A 6 -1.300 -2.701 -7.613 1.00 73.13 C ATOM 76 C GLY A 6 -0.675 -3.246 -8.899 1.00 54.42 C ATOM 77 O GLY A 6 -0.627 -2.552 -9.913 1.00 0.33 O ATOM 0 H GLY A 6 -1.372 -3.699 -5.772 1.00 50.24 H new ATOM 0 HA2 GLY A 6 -2.164 -2.083 -7.858 1.00 73.13 H new ATOM 0 HA3 GLY A 6 -0.584 -2.059 -7.100 1.00 73.13 H new ATOM 81 N LYS A 7 -0.210 -4.483 -8.815 1.00 72.11 N ATOM 82 CA LYS A 7 0.411 -5.129 -9.958 1.00 33.13 C ATOM 83 C LYS A 7 -0.678 -5.698 -10.870 1.00 72.23 C ATOM 84 O LYS A 7 -0.814 -5.280 -12.018 1.00 11.22 O ATOM 85 CB LYS A 7 1.432 -6.171 -9.497 1.00 21.32 C ATOM 86 CG LYS A 7 1.748 -7.164 -10.617 1.00 61.52 C ATOM 87 CD LYS A 7 2.637 -8.300 -10.108 1.00 32.11 C ATOM 88 CE LYS A 7 1.793 -9.440 -9.533 1.00 14.32 C ATOM 89 NZ LYS A 7 1.378 -10.371 -10.605 1.00 44.20 N1+ ATOM 0 H LYS A 7 -0.251 -5.056 -7.972 1.00 72.11 H new ATOM 0 HA LYS A 7 0.974 -4.404 -10.545 1.00 33.13 H new ATOM 0 HB2 LYS A 7 2.348 -5.672 -9.180 1.00 21.32 H new ATOM 0 HB3 LYS A 7 1.044 -6.706 -8.630 1.00 21.32 H new ATOM 0 HG2 LYS A 7 0.821 -7.574 -11.016 1.00 61.52 H new ATOM 0 HG3 LYS A 7 2.247 -6.647 -11.437 1.00 61.52 H new ATOM 0 HD2 LYS A 7 3.256 -8.676 -10.923 1.00 32.11 H new ATOM 0 HD3 LYS A 7 3.314 -7.922 -9.342 1.00 32.11 H new ATOM 0 HE2 LYS A 7 2.365 -9.978 -8.777 1.00 14.32 H new ATOM 0 HE3 LYS A 7 0.912 -9.033 -9.036 1.00 14.32 H new ATOM 0 HZ1 LYS A 7 1.375 -11.344 -10.238 1.00 44.20 H new ATOM 0 HZ2 LYS A 7 0.423 -10.121 -10.931 1.00 44.20 H new ATOM 0 HZ3 LYS A 7 2.044 -10.304 -11.401 1.00 44.20 H new ATOM 102 N LYS A 8 -1.427 -6.646 -10.325 1.00 14.31 N ATOM 103 CA LYS A 8 -2.500 -7.277 -11.074 1.00 71.23 C ATOM 104 C LYS A 8 -3.257 -6.211 -11.868 1.00 33.24 C ATOM 105 O LYS A 8 -3.754 -6.481 -12.960 1.00 33.30 O ATOM 106 CB LYS A 8 -3.393 -8.100 -10.143 1.00 4.10 C ATOM 107 CG LYS A 8 -2.797 -9.488 -9.897 1.00 33.13 C ATOM 108 CD LYS A 8 -3.424 -10.143 -8.665 1.00 22.11 C ATOM 109 CE LYS A 8 -2.596 -11.345 -8.203 1.00 14.34 C ATOM 110 NZ LYS A 8 -3.107 -11.860 -6.913 1.00 11.43 N1+ ATOM 0 H LYS A 8 -1.311 -6.992 -9.373 1.00 14.31 H new ATOM 0 HA LYS A 8 -2.094 -7.985 -11.796 1.00 71.23 H new ATOM 0 HB2 LYS A 8 -3.513 -7.578 -9.193 1.00 4.10 H new ATOM 0 HB3 LYS A 8 -4.387 -8.199 -10.580 1.00 4.10 H new ATOM 0 HG2 LYS A 8 -2.961 -10.118 -10.771 1.00 33.13 H new ATOM 0 HG3 LYS A 8 -1.719 -9.406 -9.761 1.00 33.13 H new ATOM 0 HD2 LYS A 8 -3.496 -9.414 -7.858 1.00 22.11 H new ATOM 0 HD3 LYS A 8 -4.440 -10.464 -8.896 1.00 22.11 H new ATOM 0 HE2 LYS A 8 -2.634 -12.132 -8.956 1.00 14.34 H new ATOM 0 HE3 LYS A 8 -1.551 -11.055 -8.097 1.00 14.34 H new ATOM 0 HZ1 LYS A 8 -2.535 -12.675 -6.613 1.00 11.43 H new ATOM 0 HZ2 LYS A 8 -3.048 -11.112 -6.193 1.00 11.43 H new ATOM 0 HZ3 LYS A 8 -4.098 -12.155 -7.025 1.00 11.43 H new ATOM 123 N ILE A 9 -3.322 -5.021 -11.287 1.00 15.44 N ATOM 124 CA ILE A 9 -4.010 -3.912 -11.927 1.00 60.11 C ATOM 125 C ILE A 9 -3.265 -3.526 -13.207 1.00 15.22 C ATOM 126 O ILE A 9 -3.731 -3.809 -14.310 1.00 74.43 O ATOM 127 CB ILE A 9 -4.188 -2.754 -10.944 1.00 1.54 C ATOM 128 CG1 ILE A 9 -4.890 -3.221 -9.667 1.00 64.24 C ATOM 129 CG2 ILE A 9 -4.919 -1.582 -11.605 1.00 30.43 C ATOM 130 CD1 ILE A 9 -4.487 -2.355 -8.472 1.00 25.42 C ATOM 0 H ILE A 9 -2.910 -4.801 -10.380 1.00 15.44 H new ATOM 0 HA ILE A 9 -5.017 -4.206 -12.222 1.00 60.11 H new ATOM 0 HB ILE A 9 -3.200 -2.396 -10.655 1.00 1.54 H new ATOM 0 HG12 ILE A 9 -5.970 -3.177 -9.805 1.00 64.24 H new ATOM 0 HG13 ILE A 9 -4.636 -4.262 -9.468 1.00 64.24 H new ATOM 0 HG21 ILE A 9 -5.033 -0.772 -10.885 1.00 30.43 H new ATOM 0 HG22 ILE A 9 -4.342 -1.229 -12.460 1.00 30.43 H new ATOM 0 HG23 ILE A 9 -5.903 -1.910 -11.941 1.00 30.43 H new ATOM 0 HD11 ILE A 9 -5.000 -2.708 -7.577 1.00 25.42 H new ATOM 0 HD12 ILE A 9 -3.409 -2.421 -8.322 1.00 25.42 H new ATOM 0 HD13 ILE A 9 -4.764 -1.318 -8.664 1.00 25.42 H new ATOM 142 N PHE A 10 -2.122 -2.885 -13.016 1.00 13.32 N ATOM 143 CA PHE A 10 -1.308 -2.455 -14.141 1.00 72.43 C ATOM 144 C PHE A 10 -1.081 -3.606 -15.123 1.00 75.11 C ATOM 145 O PHE A 10 -0.774 -3.377 -16.293 1.00 2.34 O ATOM 146 CB PHE A 10 0.041 -2.011 -13.573 1.00 70.22 C ATOM 147 CG PHE A 10 0.669 -0.828 -14.314 1.00 44.23 C ATOM 148 CD1 PHE A 10 1.300 -1.028 -15.502 1.00 11.20 C ATOM 149 CD2 PHE A 10 0.596 0.421 -13.784 1.00 42.21 C ATOM 150 CE1 PHE A 10 1.883 0.069 -16.190 1.00 43.23 C ATOM 151 CE2 PHE A 10 1.179 1.520 -14.472 1.00 53.34 C ATOM 152 CZ PHE A 10 1.810 1.320 -15.660 1.00 42.41 C ATOM 0 H PHE A 10 -1.740 -2.653 -12.099 1.00 13.32 H new ATOM 0 HA PHE A 10 -1.809 -1.648 -14.677 1.00 72.43 H new ATOM 0 HB2 PHE A 10 -0.088 -1.743 -12.525 1.00 70.22 H new ATOM 0 HB3 PHE A 10 0.732 -2.854 -13.603 1.00 70.22 H new ATOM 0 HD1 PHE A 10 1.358 -2.021 -15.922 1.00 11.20 H new ATOM 0 HD2 PHE A 10 0.095 0.579 -12.840 1.00 42.21 H new ATOM 0 HE1 PHE A 10 2.384 -0.090 -17.133 1.00 43.23 H new ATOM 0 HE2 PHE A 10 1.121 2.513 -14.052 1.00 53.34 H new ATOM 0 HZ PHE A 10 2.253 2.155 -16.183 1.00 42.41 H new ATOM 162 N ILE A 11 -1.239 -4.818 -14.612 1.00 62.12 N ATOM 163 CA ILE A 11 -1.055 -6.005 -15.431 1.00 45.21 C ATOM 164 C ILE A 11 -2.098 -6.016 -16.549 1.00 24.11 C ATOM 165 O ILE A 11 -1.776 -6.302 -17.701 1.00 4.32 O ATOM 166 CB ILE A 11 -1.073 -7.263 -14.560 1.00 64.23 C ATOM 167 CG1 ILE A 11 0.281 -7.480 -13.881 1.00 24.22 C ATOM 168 CG2 ILE A 11 -1.509 -8.484 -15.372 1.00 33.21 C ATOM 169 CD1 ILE A 11 0.347 -8.858 -13.219 1.00 43.25 C ATOM 0 H ILE A 11 -1.492 -5.004 -13.642 1.00 62.12 H new ATOM 0 HA ILE A 11 -0.076 -5.990 -15.910 1.00 45.21 H new ATOM 0 HB ILE A 11 -1.810 -7.121 -13.769 1.00 64.23 H new ATOM 0 HG12 ILE A 11 1.080 -7.387 -14.617 1.00 24.22 H new ATOM 0 HG13 ILE A 11 0.445 -6.705 -13.133 1.00 24.22 H new ATOM 0 HG21 ILE A 11 -1.514 -9.365 -14.730 1.00 33.21 H new ATOM 0 HG22 ILE A 11 -2.511 -8.319 -15.768 1.00 33.21 H new ATOM 0 HG23 ILE A 11 -0.814 -8.640 -16.197 1.00 33.21 H new ATOM 0 HD11 ILE A 11 1.319 -8.987 -12.744 1.00 43.25 H new ATOM 0 HD12 ILE A 11 -0.438 -8.938 -12.467 1.00 43.25 H new ATOM 0 HD13 ILE A 11 0.207 -9.631 -13.974 1.00 43.25 H new ATOM 181 N MET A 12 -3.328 -5.700 -16.170 1.00 20.04 N ATOM 182 CA MET A 12 -4.421 -5.670 -17.128 1.00 73.11 C ATOM 183 C MET A 12 -5.184 -4.346 -17.046 1.00 2.53 C ATOM 184 O MET A 12 -6.398 -4.312 -17.240 1.00 61.15 O ATOM 185 CB MET A 12 -5.379 -6.828 -16.846 1.00 10.44 C ATOM 186 CG MET A 12 -6.222 -7.155 -18.080 1.00 20.33 C ATOM 187 SD MET A 12 -7.636 -8.139 -17.611 1.00 23.32 S ATOM 188 CE MET A 12 -8.438 -7.011 -16.485 1.00 74.43 C ATOM 0 H MET A 12 -3.592 -5.463 -15.214 1.00 20.04 H new ATOM 0 HA MET A 12 -4.004 -5.767 -18.130 1.00 73.11 H new ATOM 0 HB2 MET A 12 -4.812 -7.709 -16.545 1.00 10.44 H new ATOM 0 HB3 MET A 12 -6.032 -6.569 -16.013 1.00 10.44 H new ATOM 0 HG2 MET A 12 -6.553 -6.234 -18.559 1.00 20.33 H new ATOM 0 HG3 MET A 12 -5.619 -7.695 -18.810 1.00 20.33 H new ATOM 0 HE1 MET A 12 -9.515 -7.179 -16.507 1.00 74.43 H new ATOM 0 HE2 MET A 12 -8.065 -7.179 -15.475 1.00 74.43 H new ATOM 0 HE3 MET A 12 -8.224 -5.985 -16.784 1.00 74.43 H new ATOM 198 N LYS A 13 -4.441 -3.287 -16.759 1.00 3.23 N ATOM 199 CA LYS A 13 -5.031 -1.965 -16.650 1.00 42.12 C ATOM 200 C LYS A 13 -4.276 -0.996 -17.562 1.00 34.24 C ATOM 201 O LYS A 13 -4.828 -0.505 -18.545 1.00 23.10 O ATOM 202 CB LYS A 13 -5.082 -1.520 -15.188 1.00 13.54 C ATOM 203 CG LYS A 13 -5.969 -0.284 -15.020 1.00 61.54 C ATOM 204 CD LYS A 13 -7.446 -0.675 -14.948 1.00 54.44 C ATOM 205 CE LYS A 13 -7.742 -1.467 -13.674 1.00 54.34 C ATOM 206 NZ LYS A 13 -8.796 -0.796 -12.879 1.00 20.13 N1+ ATOM 0 H LYS A 13 -3.434 -3.319 -16.599 1.00 3.23 H new ATOM 0 HA LYS A 13 -6.066 -1.981 -16.990 1.00 42.12 H new ATOM 0 HB2 LYS A 13 -5.464 -2.333 -14.570 1.00 13.54 H new ATOM 0 HB3 LYS A 13 -4.074 -1.299 -14.836 1.00 13.54 H new ATOM 0 HG2 LYS A 13 -5.686 0.251 -14.113 1.00 61.54 H new ATOM 0 HG3 LYS A 13 -5.810 0.398 -15.855 1.00 61.54 H new ATOM 0 HD2 LYS A 13 -8.065 0.222 -14.975 1.00 54.44 H new ATOM 0 HD3 LYS A 13 -7.711 -1.271 -15.821 1.00 54.44 H new ATOM 0 HE2 LYS A 13 -8.061 -2.477 -13.932 1.00 54.34 H new ATOM 0 HE3 LYS A 13 -6.834 -1.562 -13.078 1.00 54.34 H new ATOM 0 HZ1 LYS A 13 -8.985 -1.347 -12.017 1.00 20.13 H new ATOM 0 HZ2 LYS A 13 -8.478 0.159 -12.617 1.00 20.13 H new ATOM 0 HZ3 LYS A 13 -9.667 -0.728 -13.444 1.00 20.13 H new ATOM 219 N CYS A 14 -3.024 -0.750 -17.203 1.00 0.42 N ATOM 220 CA CYS A 14 -2.186 0.151 -17.977 1.00 73.31 C ATOM 221 C CYS A 14 -1.383 -0.681 -18.978 1.00 61.22 C ATOM 222 O CYS A 14 -1.255 -0.304 -20.142 1.00 3.21 O ATOM 223 CB CYS A 14 -1.280 0.992 -17.076 1.00 23.12 C ATOM 224 SG CYS A 14 -2.093 1.665 -15.581 1.00 24.50 S ATOM 0 H CYS A 14 -2.570 -1.159 -16.386 1.00 0.42 H new ATOM 0 HA CYS A 14 -2.812 0.861 -18.517 1.00 73.31 H new ATOM 0 HB2 CYS A 14 -0.431 0.382 -16.767 1.00 23.12 H new ATOM 0 HB3 CYS A 14 -0.880 1.822 -17.659 1.00 23.12 H new ATOM 0 HG CYS A 14 -1.290 1.557 -14.565 1.00 24.50 H new ATOM 229 N SER A 15 -0.862 -1.797 -18.489 1.00 53.01 N ATOM 230 CA SER A 15 -0.075 -2.685 -19.327 1.00 44.23 C ATOM 231 C SER A 15 -0.723 -2.814 -20.707 1.00 0.15 C ATOM 232 O SER A 15 -0.028 -2.887 -21.719 1.00 13.43 O ATOM 233 CB SER A 15 0.075 -4.064 -18.680 1.00 10.33 C ATOM 234 OG SER A 15 1.072 -4.070 -17.661 1.00 53.25 O ATOM 0 H SER A 15 -0.970 -2.106 -17.523 1.00 53.01 H new ATOM 0 HA SER A 15 0.921 -2.256 -19.439 1.00 44.23 H new ATOM 0 HB2 SER A 15 -0.880 -4.371 -18.254 1.00 10.33 H new ATOM 0 HB3 SER A 15 0.333 -4.797 -19.444 1.00 10.33 H new ATOM 0 HG SER A 15 0.667 -3.817 -16.805 1.00 53.25 H new ATOM 240 N GLN A 16 -2.047 -2.838 -20.703 1.00 52.31 N ATOM 241 CA GLN A 16 -2.798 -2.957 -21.942 1.00 24.53 C ATOM 242 C GLN A 16 -2.131 -2.136 -23.047 1.00 24.04 C ATOM 243 O GLN A 16 -1.939 -2.625 -24.160 1.00 52.22 O ATOM 244 CB GLN A 16 -4.253 -2.530 -21.745 1.00 34.30 C ATOM 245 CG GLN A 16 -5.029 -2.602 -23.061 1.00 64.14 C ATOM 246 CD GLN A 16 -6.538 -2.614 -22.809 1.00 25.22 C ATOM 247 OE1 GLN A 16 -7.008 -2.865 -21.712 1.00 33.12 O ATOM 248 NE2 GLN A 16 -7.269 -2.331 -23.884 1.00 5.30 N ATOM 0 H GLN A 16 -2.620 -2.777 -19.861 1.00 52.31 H new ATOM 0 HA GLN A 16 -2.799 -4.004 -22.244 1.00 24.53 H new ATOM 0 HB2 GLN A 16 -4.727 -3.173 -21.004 1.00 34.30 H new ATOM 0 HB3 GLN A 16 -4.287 -1.513 -21.354 1.00 34.30 H new ATOM 0 HG2 GLN A 16 -4.768 -1.749 -23.688 1.00 64.14 H new ATOM 0 HG3 GLN A 16 -4.741 -3.500 -23.608 1.00 64.14 H new ATOM 0 HE21 GLN A 16 -6.812 -2.130 -24.773 1.00 5.30 H new ATOM 0 HE22 GLN A 16 -8.287 -2.315 -23.819 1.00 5.30 H new ATOM 257 N CYS A 17 -1.794 -0.902 -22.703 1.00 3.32 N ATOM 258 CA CYS A 17 -1.153 -0.007 -23.652 1.00 24.21 C ATOM 259 C CYS A 17 0.233 0.352 -23.112 1.00 61.52 C ATOM 260 O CYS A 17 1.237 0.163 -23.796 1.00 14.11 O ATOM 261 CB CYS A 17 -2.002 1.238 -23.919 1.00 30.04 C ATOM 262 SG CYS A 17 -3.805 0.990 -23.738 1.00 4.14 S ATOM 0 H CYS A 17 -1.953 -0.500 -21.779 1.00 3.32 H new ATOM 0 HA CYS A 17 -1.049 -0.508 -24.615 1.00 24.21 H new ATOM 0 HB2 CYS A 17 -1.688 2.028 -23.237 1.00 30.04 H new ATOM 0 HB3 CYS A 17 -1.798 1.590 -24.930 1.00 30.04 H new ATOM 0 HG CYS A 17 -4.424 2.107 -23.984 1.00 4.14 H new ATOM 267 N HIS A 18 0.243 0.862 -21.890 1.00 62.50 N ATOM 268 CA HIS A 18 1.490 1.250 -21.250 1.00 4.04 C ATOM 269 C HIS A 18 2.351 0.007 -21.010 1.00 22.22 C ATOM 270 O HIS A 18 1.852 -1.116 -21.060 1.00 62.34 O ATOM 271 CB HIS A 18 1.219 2.040 -19.969 1.00 40.31 C ATOM 272 CG HIS A 18 0.840 3.483 -20.207 1.00 54.33 C ATOM 273 ND1 HIS A 18 1.718 4.412 -20.735 1.00 50.21 N ATOM 274 CD2 HIS A 18 -0.332 4.144 -19.983 1.00 25.02 C ATOM 275 CE1 HIS A 18 1.093 5.577 -20.821 1.00 64.43 C ATOM 276 NE2 HIS A 18 -0.178 5.409 -20.353 1.00 53.31 N ATOM 0 H HIS A 18 -0.592 1.016 -21.325 1.00 62.50 H new ATOM 0 HA HIS A 18 2.050 1.916 -21.907 1.00 4.04 H new ATOM 0 HB2 HIS A 18 0.418 1.551 -19.415 1.00 40.31 H new ATOM 0 HB3 HIS A 18 2.108 2.007 -19.339 1.00 40.31 H new ATOM 0 HD1 HIS A 18 2.683 4.231 -21.011 1.00 50.21 H new ATOM 0 HD2 HIS A 18 -1.233 3.711 -19.574 1.00 25.02 H new ATOM 0 HE1 HIS A 18 1.515 6.498 -21.196 1.00 64.43 H new ATOM 284 N THR A 19 3.627 0.252 -20.755 1.00 13.43 N ATOM 285 CA THR A 19 4.562 -0.832 -20.507 1.00 60.21 C ATOM 286 C THR A 19 5.711 -0.353 -19.619 1.00 32.10 C ATOM 287 O THR A 19 6.430 0.579 -19.977 1.00 32.41 O ATOM 288 CB THR A 19 5.025 -1.376 -21.859 1.00 74.25 C ATOM 289 OG1 THR A 19 5.517 -0.228 -22.545 1.00 32.15 O ATOM 290 CG2 THR A 19 3.861 -1.857 -22.727 1.00 61.22 C ATOM 0 H THR A 19 4.036 1.186 -20.715 1.00 13.43 H new ATOM 0 HA THR A 19 4.087 -1.646 -19.959 1.00 60.21 H new ATOM 0 HB THR A 19 5.723 -2.198 -21.699 1.00 74.25 H new ATOM 0 HG1 THR A 19 5.983 -0.509 -23.360 1.00 32.15 H new ATOM 0 HG21 THR A 19 4.245 -2.233 -23.675 1.00 61.22 H new ATOM 0 HG22 THR A 19 3.327 -2.654 -22.210 1.00 61.22 H new ATOM 0 HG23 THR A 19 3.180 -1.027 -22.915 1.00 61.22 H new ATOM 298 N VAL A 20 5.849 -1.010 -18.476 1.00 73.30 N ATOM 299 CA VAL A 20 6.899 -0.663 -17.534 1.00 62.41 C ATOM 300 C VAL A 20 8.204 -1.336 -17.961 1.00 42.31 C ATOM 301 O VAL A 20 8.843 -2.022 -17.162 1.00 23.32 O ATOM 302 CB VAL A 20 6.470 -1.034 -16.113 1.00 73.02 C ATOM 303 CG1 VAL A 20 5.072 -0.498 -15.804 1.00 11.15 C ATOM 304 CG2 VAL A 20 6.537 -2.547 -15.898 1.00 54.03 C ATOM 0 H VAL A 20 5.250 -1.781 -18.181 1.00 73.30 H new ATOM 0 HA VAL A 20 7.074 0.413 -17.535 1.00 62.41 H new ATOM 0 HB VAL A 20 7.168 -0.565 -15.420 1.00 73.02 H new ATOM 0 HG11 VAL A 20 4.792 -0.776 -14.788 1.00 11.15 H new ATOM 0 HG12 VAL A 20 5.070 0.588 -15.897 1.00 11.15 H new ATOM 0 HG13 VAL A 20 4.356 -0.923 -16.507 1.00 11.15 H new ATOM 0 HG21 VAL A 20 6.227 -2.784 -14.880 1.00 54.03 H new ATOM 0 HG22 VAL A 20 5.873 -3.045 -16.605 1.00 54.03 H new ATOM 0 HG23 VAL A 20 7.559 -2.892 -16.056 1.00 54.03 H new ATOM 314 N GLU A 21 8.563 -1.119 -19.217 1.00 2.20 N ATOM 315 CA GLU A 21 9.781 -1.696 -19.759 1.00 22.52 C ATOM 316 C GLU A 21 10.542 -0.654 -20.580 1.00 34.35 C ATOM 317 O GLU A 21 9.994 -0.076 -21.518 1.00 52.54 O ATOM 318 CB GLU A 21 9.472 -2.938 -20.598 1.00 61.35 C ATOM 319 CG GLU A 21 8.208 -2.735 -21.434 1.00 1.24 C ATOM 320 CD GLU A 21 8.282 -3.524 -22.743 1.00 73.45 C ATOM 321 OE1 GLU A 21 9.203 -4.333 -22.926 1.00 31.11 O ATOM 322 OE2 GLU A 21 7.338 -3.274 -23.585 1.00 44.15 O1- ATOM 0 H GLU A 21 8.031 -0.551 -19.876 1.00 2.20 H new ATOM 0 HA GLU A 21 10.414 -2.007 -18.928 1.00 22.52 H new ATOM 0 HB2 GLU A 21 10.315 -3.157 -21.254 1.00 61.35 H new ATOM 0 HB3 GLU A 21 9.345 -3.801 -19.944 1.00 61.35 H new ATOM 0 HG2 GLU A 21 7.335 -3.053 -20.863 1.00 1.24 H new ATOM 0 HG3 GLU A 21 8.078 -1.675 -21.651 1.00 1.24 H new ATOM 330 N LYS A 22 11.794 -0.448 -20.200 1.00 34.22 N ATOM 331 CA LYS A 22 12.637 0.514 -20.891 1.00 44.40 C ATOM 332 C LYS A 22 12.383 0.420 -22.397 1.00 4.32 C ATOM 333 O LYS A 22 12.289 -0.676 -22.946 1.00 2.32 O ATOM 334 CB LYS A 22 14.103 0.319 -20.501 1.00 74.13 C ATOM 335 CG LYS A 22 15.035 0.914 -21.557 1.00 50.22 C ATOM 336 CD LYS A 22 16.469 1.014 -21.031 1.00 63.22 C ATOM 337 CE LYS A 22 16.680 2.319 -20.260 1.00 63.42 C ATOM 338 NZ LYS A 22 18.123 2.562 -20.038 1.00 43.00 N1+ ATOM 0 H LYS A 22 12.245 -0.930 -19.423 1.00 34.22 H new ATOM 0 HA LYS A 22 12.383 1.530 -20.588 1.00 44.40 H new ATOM 0 HB2 LYS A 22 14.292 0.791 -19.537 1.00 74.13 H new ATOM 0 HB3 LYS A 22 14.313 -0.744 -20.383 1.00 74.13 H new ATOM 0 HG2 LYS A 22 15.016 0.295 -22.454 1.00 50.22 H new ATOM 0 HG3 LYS A 22 14.680 1.904 -21.844 1.00 50.22 H new ATOM 0 HD2 LYS A 22 16.682 0.165 -20.381 1.00 63.22 H new ATOM 0 HD3 LYS A 22 17.170 0.962 -21.864 1.00 63.22 H new ATOM 0 HE2 LYS A 22 16.246 3.151 -20.815 1.00 63.42 H new ATOM 0 HE3 LYS A 22 16.162 2.270 -19.302 1.00 63.42 H new ATOM 0 HZ1 LYS A 22 18.249 3.451 -19.514 1.00 43.00 H new ATOM 0 HZ2 LYS A 22 18.527 1.776 -19.489 1.00 43.00 H new ATOM 0 HZ3 LYS A 22 18.609 2.629 -20.955 1.00 43.00 H new ATOM 351 N GLY A 23 12.280 1.584 -23.021 1.00 52.14 N ATOM 352 CA GLY A 23 12.039 1.647 -24.453 1.00 30.32 C ATOM 353 C GLY A 23 10.735 0.934 -24.821 1.00 2.14 C ATOM 354 O GLY A 23 10.695 0.163 -25.779 1.00 23.14 O ATOM 0 H GLY A 23 12.359 2.491 -22.561 1.00 52.14 H new ATOM 0 HA2 GLY A 23 11.991 2.688 -24.772 1.00 30.32 H new ATOM 0 HA3 GLY A 23 12.872 1.188 -24.986 1.00 30.32 H new ATOM 358 N GLY A 24 9.702 1.218 -24.042 1.00 32.53 N ATOM 359 CA GLY A 24 8.402 0.615 -24.274 1.00 33.34 C ATOM 360 C GLY A 24 7.933 0.858 -25.710 1.00 72.53 C ATOM 361 O GLY A 24 8.717 1.272 -26.561 1.00 13.20 O ATOM 0 H GLY A 24 9.740 1.858 -23.249 1.00 32.53 H new ATOM 0 HA2 GLY A 24 8.455 -0.457 -24.081 1.00 33.34 H new ATOM 0 HA3 GLY A 24 7.675 1.029 -23.575 1.00 33.34 H new ATOM 365 N LYS A 25 6.655 0.590 -25.934 1.00 11.42 N ATOM 366 CA LYS A 25 6.072 0.774 -27.253 1.00 2.02 C ATOM 367 C LYS A 25 5.059 1.919 -27.202 1.00 31.52 C ATOM 368 O LYS A 25 4.531 2.239 -26.138 1.00 72.44 O ATOM 369 CB LYS A 25 5.486 -0.542 -27.768 1.00 24.30 C ATOM 370 CG LYS A 25 6.496 -1.683 -27.629 1.00 22.43 C ATOM 371 CD LYS A 25 7.293 -1.872 -28.921 1.00 53.42 C ATOM 372 CE LYS A 25 8.683 -1.242 -28.806 1.00 11.53 C ATOM 373 NZ LYS A 25 9.372 -1.728 -27.589 1.00 63.31 N1+ ATOM 0 H LYS A 25 6.007 0.247 -25.225 1.00 11.42 H new ATOM 0 HA LYS A 25 6.840 1.058 -27.973 1.00 2.02 H new ATOM 0 HB2 LYS A 25 4.580 -0.783 -27.212 1.00 24.30 H new ATOM 0 HB3 LYS A 25 5.198 -0.432 -28.813 1.00 24.30 H new ATOM 0 HG2 LYS A 25 7.178 -1.471 -26.805 1.00 22.43 H new ATOM 0 HG3 LYS A 25 5.974 -2.607 -27.381 1.00 22.43 H new ATOM 0 HD2 LYS A 25 7.389 -2.935 -29.141 1.00 53.42 H new ATOM 0 HD3 LYS A 25 6.754 -1.422 -29.754 1.00 53.42 H new ATOM 0 HE2 LYS A 25 9.274 -1.487 -29.688 1.00 11.53 H new ATOM 0 HE3 LYS A 25 8.595 -0.156 -28.773 1.00 11.53 H new ATOM 0 HZ1 LYS A 25 9.504 -0.938 -26.926 1.00 63.31 H new ATOM 0 HZ2 LYS A 25 8.797 -2.468 -27.137 1.00 63.31 H new ATOM 0 HZ3 LYS A 25 10.299 -2.121 -27.848 1.00 63.31 H new ATOM 386 N HIS A 26 4.818 2.507 -28.365 1.00 25.51 N ATOM 387 CA HIS A 26 3.878 3.610 -28.466 1.00 74.44 C ATOM 388 C HIS A 26 2.577 3.118 -29.103 1.00 45.22 C ATOM 389 O HIS A 26 1.907 3.868 -29.811 1.00 2.22 O ATOM 390 CB HIS A 26 4.501 4.786 -29.222 1.00 11.11 C ATOM 391 CG HIS A 26 5.515 5.565 -28.418 1.00 12.42 C ATOM 392 ND1 HIS A 26 5.647 5.431 -27.047 1.00 62.23 N ATOM 393 CD2 HIS A 26 6.442 6.486 -28.807 1.00 45.21 C ATOM 394 CE1 HIS A 26 6.614 6.240 -26.639 1.00 75.04 C ATOM 395 NE2 HIS A 26 7.105 6.893 -27.731 1.00 43.14 N ATOM 0 H HIS A 26 5.258 2.240 -29.246 1.00 25.51 H new ATOM 0 HA HIS A 26 3.637 3.980 -27.470 1.00 74.44 H new ATOM 0 HB2 HIS A 26 4.980 4.410 -30.126 1.00 11.11 H new ATOM 0 HB3 HIS A 26 3.707 5.462 -29.539 1.00 11.11 H new ATOM 0 HD2 HIS A 26 6.609 6.827 -29.818 1.00 45.21 H new ATOM 0 HE1 HIS A 26 6.954 6.361 -25.621 1.00 75.04 H new ATOM 0 HE2 HIS A 26 7.858 7.581 -27.723 1.00 43.14 H new ATOM 403 N LYS A 27 2.259 1.862 -28.828 1.00 44.03 N ATOM 404 CA LYS A 27 1.050 1.261 -29.365 1.00 53.42 C ATOM 405 C LYS A 27 -0.121 2.229 -29.179 1.00 34.44 C ATOM 406 O LYS A 27 -0.388 3.057 -30.048 1.00 33.44 O ATOM 407 CB LYS A 27 0.814 -0.117 -28.742 1.00 74.10 C ATOM 408 CG LYS A 27 1.321 -1.229 -29.662 1.00 42.43 C ATOM 409 CD LYS A 27 2.736 -1.662 -29.270 1.00 54.03 C ATOM 410 CE LYS A 27 2.699 -2.886 -28.353 1.00 14.52 C ATOM 411 NZ LYS A 27 3.931 -3.691 -28.515 1.00 5.14 N1+ ATOM 0 H LYS A 27 2.818 1.244 -28.240 1.00 44.03 H new ATOM 0 HA LYS A 27 1.154 1.087 -30.436 1.00 53.42 H new ATOM 0 HB2 LYS A 27 1.322 -0.177 -27.779 1.00 74.10 H new ATOM 0 HB3 LYS A 27 -0.250 -0.256 -28.550 1.00 74.10 H new ATOM 0 HG2 LYS A 27 0.647 -2.084 -29.610 1.00 42.43 H new ATOM 0 HG3 LYS A 27 1.316 -0.882 -30.695 1.00 42.43 H new ATOM 0 HD2 LYS A 27 3.312 -1.892 -30.167 1.00 54.03 H new ATOM 0 HD3 LYS A 27 3.245 -0.841 -28.766 1.00 54.03 H new ATOM 0 HE2 LYS A 27 2.599 -2.568 -27.315 1.00 14.52 H new ATOM 0 HE3 LYS A 27 1.826 -3.496 -28.585 1.00 14.52 H new ATOM 0 HZ1 LYS A 27 3.713 -4.555 -29.052 1.00 5.14 H new ATOM 0 HZ2 LYS A 27 4.644 -3.135 -29.028 1.00 5.14 H new ATOM 0 HZ3 LYS A 27 4.302 -3.950 -27.579 1.00 5.14 H new ATOM 424 N THR A 28 -0.787 2.091 -28.043 1.00 74.51 N ATOM 425 CA THR A 28 -1.922 2.942 -27.733 1.00 2.42 C ATOM 426 C THR A 28 -1.587 3.875 -26.567 1.00 41.14 C ATOM 427 O THR A 28 -2.399 4.717 -26.188 1.00 32.05 O ATOM 428 CB THR A 28 -3.129 2.041 -27.462 1.00 52.12 C ATOM 429 OG1 THR A 28 -3.148 1.144 -28.569 1.00 43.31 O ATOM 430 CG2 THR A 28 -4.457 2.793 -27.569 1.00 32.01 C ATOM 0 H THR A 28 -0.562 1.402 -27.325 1.00 74.51 H new ATOM 0 HA THR A 28 -2.167 3.595 -28.571 1.00 2.42 H new ATOM 0 HB THR A 28 -3.039 1.603 -26.468 1.00 52.12 H new ATOM 0 HG1 THR A 28 -3.899 0.522 -28.473 1.00 43.31 H new ATOM 0 HG21 THR A 28 -5.280 2.108 -27.368 1.00 32.01 H new ATOM 0 HG22 THR A 28 -4.475 3.605 -26.842 1.00 32.01 H new ATOM 0 HG23 THR A 28 -4.563 3.203 -28.573 1.00 32.01 H new ATOM 438 N GLY A 29 -0.389 3.693 -26.032 1.00 64.54 N ATOM 439 CA GLY A 29 0.064 4.508 -24.917 1.00 55.30 C ATOM 440 C GLY A 29 1.588 4.645 -24.921 1.00 1.42 C ATOM 441 O GLY A 29 2.297 3.726 -25.332 1.00 41.14 O ATOM 0 H GLY A 29 0.282 2.993 -26.350 1.00 64.54 H new ATOM 0 HA2 GLY A 29 -0.394 5.496 -24.974 1.00 55.30 H new ATOM 0 HA3 GLY A 29 -0.262 4.060 -23.978 1.00 55.30 H new ATOM 445 N PRO A 30 2.060 5.829 -24.449 1.00 74.54 N ATOM 446 CA PRO A 30 3.487 6.098 -24.395 1.00 74.11 C ATOM 447 C PRO A 30 4.146 5.336 -23.243 1.00 24.32 C ATOM 448 O PRO A 30 3.596 5.268 -22.145 1.00 24.23 O ATOM 449 CB PRO A 30 3.598 7.607 -24.249 1.00 41.30 C ATOM 450 CG PRO A 30 2.238 8.079 -23.761 1.00 54.01 C ATOM 451 CD PRO A 30 1.251 6.939 -23.955 1.00 12.13 C ATOM 0 HA PRO A 30 4.013 5.758 -25.287 1.00 74.11 H new ATOM 0 HB2 PRO A 30 4.382 7.874 -23.540 1.00 41.30 H new ATOM 0 HB3 PRO A 30 3.855 8.074 -25.200 1.00 41.30 H new ATOM 0 HG2 PRO A 30 2.288 8.366 -22.711 1.00 54.01 H new ATOM 0 HG3 PRO A 30 1.918 8.960 -24.317 1.00 54.01 H new ATOM 0 HD2 PRO A 30 0.754 6.682 -23.019 1.00 12.13 H new ATOM 0 HD3 PRO A 30 0.470 7.208 -24.667 1.00 12.13 H new ATOM 459 N ASN A 31 5.314 4.783 -23.533 1.00 21.33 N ATOM 460 CA ASN A 31 6.053 4.028 -22.536 1.00 33.24 C ATOM 461 C ASN A 31 6.082 4.817 -21.225 1.00 11.33 C ATOM 462 O ASN A 31 6.021 6.046 -21.234 1.00 70.42 O ATOM 463 CB ASN A 31 7.499 3.796 -22.980 1.00 44.34 C ATOM 464 CG ASN A 31 8.366 3.337 -21.806 1.00 45.33 C ATOM 465 OD1 ASN A 31 9.261 4.031 -21.354 1.00 35.40 O ATOM 466 ND2 ASN A 31 8.051 2.132 -21.340 1.00 71.13 N ATOM 0 H ASN A 31 5.767 4.843 -24.445 1.00 21.33 H new ATOM 0 HA ASN A 31 5.558 3.066 -22.406 1.00 33.24 H new ATOM 0 HB2 ASN A 31 7.525 3.046 -23.771 1.00 44.34 H new ATOM 0 HB3 ASN A 31 7.906 4.716 -23.400 1.00 44.34 H new ATOM 0 HD21 ASN A 31 8.571 1.736 -20.557 1.00 71.13 H new ATOM 0 HD22 ASN A 31 7.289 1.604 -21.765 1.00 71.13 H new ATOM 473 N LEU A 32 6.175 4.078 -20.129 1.00 25.52 N ATOM 474 CA LEU A 32 6.213 4.693 -18.812 1.00 3.12 C ATOM 475 C LEU A 32 7.598 4.484 -18.197 1.00 43.31 C ATOM 476 O LEU A 32 8.123 5.370 -17.525 1.00 21.41 O ATOM 477 CB LEU A 32 5.069 4.169 -17.943 1.00 53.22 C ATOM 478 CG LEU A 32 3.657 4.562 -18.385 1.00 2.33 C ATOM 479 CD1 LEU A 32 2.685 4.531 -17.204 1.00 33.31 C ATOM 480 CD2 LEU A 32 3.661 5.920 -19.090 1.00 64.04 C ATOM 0 H LEU A 32 6.225 3.059 -20.126 1.00 25.52 H new ATOM 0 HA LEU A 32 6.057 5.769 -18.889 1.00 3.12 H new ATOM 0 HB2 LEU A 32 5.130 3.081 -17.914 1.00 53.22 H new ATOM 0 HB3 LEU A 32 5.221 4.524 -16.924 1.00 53.22 H new ATOM 0 HG LEU A 32 3.308 3.826 -19.109 1.00 2.33 H new ATOM 0 HD11 LEU A 32 1.689 4.814 -17.545 1.00 33.31 H new ATOM 0 HD12 LEU A 32 2.653 3.525 -16.785 1.00 33.31 H new ATOM 0 HD13 LEU A 32 3.019 5.232 -16.439 1.00 33.31 H new ATOM 0 HD21 LEU A 32 2.646 6.175 -19.394 1.00 64.04 H new ATOM 0 HD22 LEU A 32 4.039 6.683 -18.409 1.00 64.04 H new ATOM 0 HD23 LEU A 32 4.302 5.871 -19.971 1.00 64.04 H new ATOM 492 N HIS A 33 8.152 3.307 -18.449 1.00 23.30 N ATOM 493 CA HIS A 33 9.466 2.971 -17.928 1.00 74.15 C ATOM 494 C HIS A 33 10.385 4.189 -18.029 1.00 20.01 C ATOM 495 O HIS A 33 10.840 4.540 -19.117 1.00 41.10 O ATOM 496 CB HIS A 33 10.033 1.739 -18.637 1.00 31.34 C ATOM 497 CG HIS A 33 11.080 0.999 -17.841 1.00 51.32 C ATOM 498 ND1 HIS A 33 12.439 1.183 -18.034 1.00 11.24 N ATOM 499 CD2 HIS A 33 10.955 0.073 -16.848 1.00 72.42 C ATOM 500 CE1 HIS A 33 13.091 0.398 -17.190 1.00 33.45 C ATOM 501 NE2 HIS A 33 12.170 -0.290 -16.456 1.00 33.01 N ATOM 0 H HIS A 33 7.715 2.574 -19.007 1.00 23.30 H new ATOM 0 HA HIS A 33 9.386 2.706 -16.874 1.00 74.15 H new ATOM 0 HB2 HIS A 33 9.215 1.056 -18.865 1.00 31.34 H new ATOM 0 HB3 HIS A 33 10.466 2.047 -19.589 1.00 31.34 H new ATOM 0 HD2 HIS A 33 10.024 -0.302 -16.448 1.00 72.42 H new ATOM 0 HE1 HIS A 33 14.164 0.317 -17.099 1.00 33.45 H new ATOM 0 HE2 HIS A 33 12.380 -0.971 -15.726 1.00 33.01 H new ATOM 509 N GLY A 34 10.631 4.801 -16.880 1.00 13.14 N ATOM 510 CA GLY A 34 11.489 5.973 -16.825 1.00 20.04 C ATOM 511 C GLY A 34 10.660 7.259 -16.817 1.00 32.42 C ATOM 512 O GLY A 34 11.136 8.311 -17.239 1.00 44.34 O ATOM 0 H GLY A 34 10.251 4.508 -15.980 1.00 13.14 H new ATOM 0 HA2 GLY A 34 12.111 5.931 -15.931 1.00 20.04 H new ATOM 0 HA3 GLY A 34 12.163 5.976 -17.682 1.00 20.04 H new ATOM 516 N LEU A 35 9.433 7.131 -16.331 1.00 32.24 N ATOM 517 CA LEU A 35 8.534 8.270 -16.261 1.00 31.25 C ATOM 518 C LEU A 35 8.880 9.115 -15.033 1.00 52.04 C ATOM 519 O LEU A 35 8.970 10.338 -15.123 1.00 22.11 O ATOM 520 CB LEU A 35 7.077 7.805 -16.297 1.00 41.23 C ATOM 521 CG LEU A 35 6.057 8.743 -15.647 1.00 31.03 C ATOM 522 CD1 LEU A 35 4.733 8.730 -16.414 1.00 5.42 C ATOM 523 CD2 LEU A 35 5.865 8.404 -14.168 1.00 1.05 C ATOM 0 H LEU A 35 9.041 6.256 -15.982 1.00 32.24 H new ATOM 0 HA LEU A 35 8.662 8.910 -17.134 1.00 31.25 H new ATOM 0 HB2 LEU A 35 6.790 7.654 -17.338 1.00 41.23 H new ATOM 0 HB3 LEU A 35 7.014 6.835 -15.805 1.00 41.23 H new ATOM 0 HG LEU A 35 6.448 9.759 -15.697 1.00 31.03 H new ATOM 0 HD11 LEU A 35 4.026 9.405 -15.931 1.00 5.42 H new ATOM 0 HD12 LEU A 35 4.904 9.057 -17.440 1.00 5.42 H new ATOM 0 HD13 LEU A 35 4.325 7.719 -16.418 1.00 5.42 H new ATOM 0 HD21 LEU A 35 5.135 9.085 -13.730 1.00 1.05 H new ATOM 0 HD22 LEU A 35 5.507 7.379 -14.073 1.00 1.05 H new ATOM 0 HD23 LEU A 35 6.816 8.506 -13.645 1.00 1.05 H new ATOM 535 N PHE A 36 9.065 8.428 -13.916 1.00 20.52 N ATOM 536 CA PHE A 36 9.399 9.100 -12.671 1.00 73.41 C ATOM 537 C PHE A 36 10.813 9.681 -12.725 1.00 62.01 C ATOM 538 O PHE A 36 11.745 9.111 -12.161 1.00 45.32 O ATOM 539 CB PHE A 36 9.336 8.046 -11.564 1.00 3.55 C ATOM 540 CG PHE A 36 7.918 7.572 -11.237 1.00 31.21 C ATOM 541 CD1 PHE A 36 7.325 6.620 -12.006 1.00 21.25 C ATOM 542 CD2 PHE A 36 7.251 8.102 -10.176 1.00 55.31 C ATOM 543 CE1 PHE A 36 6.009 6.179 -11.703 1.00 11.12 C ATOM 544 CE2 PHE A 36 5.936 7.663 -9.874 1.00 43.54 C ATOM 545 CZ PHE A 36 5.343 6.710 -10.642 1.00 24.50 C ATOM 0 H PHE A 36 8.990 7.413 -13.846 1.00 20.52 H new ATOM 0 HA PHE A 36 8.704 9.920 -12.492 1.00 73.41 H new ATOM 0 HB2 PHE A 36 9.936 7.186 -11.861 1.00 3.55 H new ATOM 0 HB3 PHE A 36 9.789 8.455 -10.661 1.00 3.55 H new ATOM 0 HD1 PHE A 36 7.855 6.199 -12.848 1.00 21.25 H new ATOM 0 HD2 PHE A 36 7.722 8.857 -9.564 1.00 55.31 H new ATOM 0 HE1 PHE A 36 5.538 5.423 -12.314 1.00 11.12 H new ATOM 0 HE2 PHE A 36 5.406 8.086 -9.034 1.00 43.54 H new ATOM 0 HZ PHE A 36 4.343 6.375 -10.410 1.00 24.50 H new ATOM 555 N GLY A 37 10.929 10.810 -13.409 1.00 72.03 N ATOM 556 CA GLY A 37 12.214 11.476 -13.544 1.00 54.23 C ATOM 557 C GLY A 37 12.309 12.217 -14.879 1.00 11.10 C ATOM 558 O GLY A 37 13.121 13.129 -15.030 1.00 34.13 O ATOM 0 H GLY A 37 10.154 11.281 -13.876 1.00 72.03 H new ATOM 0 HA2 GLY A 37 12.351 12.179 -12.723 1.00 54.23 H new ATOM 0 HA3 GLY A 37 13.017 10.743 -13.473 1.00 54.23 H new ATOM 562 N ARG A 38 11.469 11.797 -15.815 1.00 20.32 N ATOM 563 CA ARG A 38 11.450 12.411 -17.132 1.00 21.31 C ATOM 564 C ARG A 38 10.401 13.525 -17.183 1.00 12.13 C ATOM 565 O ARG A 38 9.786 13.850 -16.169 1.00 64.01 O ATOM 566 CB ARG A 38 11.139 11.377 -18.216 1.00 72.11 C ATOM 567 CG ARG A 38 9.644 11.052 -18.251 1.00 4.21 C ATOM 568 CD ARG A 38 9.354 9.909 -19.226 1.00 70.22 C ATOM 569 NE ARG A 38 9.879 10.244 -20.569 1.00 24.34 N ATOM 570 CZ ARG A 38 9.747 9.451 -21.652 1.00 4.41 C ATOM 571 NH1 ARG A 38 9.103 8.267 -21.561 1.00 32.22 N ATOM 572 NH2 ARG A 38 10.256 9.849 -22.803 1.00 41.32 N1+ ATOM 0 H ARG A 38 10.798 11.040 -15.687 1.00 20.32 H new ATOM 0 HA ARG A 38 12.439 12.830 -17.318 1.00 21.31 H new ATOM 0 HB2 ARG A 38 11.455 11.757 -19.187 1.00 72.11 H new ATOM 0 HB3 ARG A 38 11.708 10.467 -18.029 1.00 72.11 H new ATOM 0 HG2 ARG A 38 9.304 10.778 -17.252 1.00 4.21 H new ATOM 0 HG3 ARG A 38 9.082 11.938 -18.547 1.00 4.21 H new ATOM 0 HD2 ARG A 38 9.813 8.988 -18.866 1.00 70.22 H new ATOM 0 HD3 ARG A 38 8.280 9.730 -19.280 1.00 70.22 H new ATOM 0 HE ARG A 38 10.371 11.130 -20.682 1.00 24.34 H new ATOM 0 HH11 ARG A 38 8.712 7.966 -20.668 1.00 32.22 H new ATOM 0 HH12 ARG A 38 9.008 7.674 -22.385 1.00 32.22 H new ATOM 0 HH21 ARG A 38 10.741 10.744 -22.864 1.00 41.32 H new ATOM 0 HH22 ARG A 38 10.165 9.261 -23.631 1.00 41.32 H new ATOM 585 N LYS A 39 10.231 14.077 -18.375 1.00 13.22 N ATOM 586 CA LYS A 39 9.267 15.148 -18.571 1.00 74.33 C ATOM 587 C LYS A 39 8.222 14.706 -19.598 1.00 3.51 C ATOM 588 O LYS A 39 8.393 13.684 -20.263 1.00 62.53 O ATOM 589 CB LYS A 39 9.982 16.450 -18.942 1.00 1.41 C ATOM 590 CG LYS A 39 8.994 17.616 -19.010 1.00 54.01 C ATOM 591 CD LYS A 39 9.729 18.958 -18.997 1.00 44.05 C ATOM 592 CE LYS A 39 10.314 19.277 -20.374 1.00 41.14 C ATOM 593 NZ LYS A 39 10.761 20.687 -20.434 1.00 34.23 N1+ ATOM 0 H LYS A 39 10.743 13.804 -19.214 1.00 13.22 H new ATOM 0 HA LYS A 39 8.734 15.356 -17.643 1.00 74.33 H new ATOM 0 HB2 LYS A 39 10.756 16.667 -18.206 1.00 1.41 H new ATOM 0 HB3 LYS A 39 10.481 16.334 -19.904 1.00 1.41 H new ATOM 0 HG2 LYS A 39 8.392 17.535 -19.915 1.00 54.01 H new ATOM 0 HG3 LYS A 39 8.307 17.565 -18.165 1.00 54.01 H new ATOM 0 HD2 LYS A 39 9.042 19.750 -18.698 1.00 44.05 H new ATOM 0 HD3 LYS A 39 10.528 18.932 -18.256 1.00 44.05 H new ATOM 0 HE2 LYS A 39 11.154 18.614 -20.581 1.00 41.14 H new ATOM 0 HE3 LYS A 39 9.566 19.094 -21.145 1.00 41.14 H new ATOM 0 HZ1 LYS A 39 11.155 20.886 -21.375 1.00 34.23 H new ATOM 0 HZ2 LYS A 39 9.952 21.316 -20.257 1.00 34.23 H new ATOM 0 HZ3 LYS A 39 11.491 20.851 -19.711 1.00 34.23 H new ATOM 606 N THR A 40 7.165 15.496 -19.695 1.00 65.31 N ATOM 607 CA THR A 40 6.092 15.199 -20.630 1.00 31.43 C ATOM 608 C THR A 40 6.503 15.584 -22.053 1.00 44.43 C ATOM 609 O THR A 40 7.116 16.629 -22.265 1.00 33.44 O ATOM 610 CB THR A 40 4.831 15.917 -20.146 1.00 11.21 C ATOM 611 OG1 THR A 40 5.283 17.226 -19.812 1.00 13.44 O ATOM 612 CG2 THR A 40 4.308 15.355 -18.823 1.00 70.11 C ATOM 0 H THR A 40 7.027 16.342 -19.142 1.00 65.31 H new ATOM 0 HA THR A 40 5.881 14.130 -20.664 1.00 31.43 H new ATOM 0 HB THR A 40 4.054 15.837 -20.907 1.00 11.21 H new ATOM 0 HG1 THR A 40 5.822 17.584 -20.548 1.00 13.44 H new ATOM 0 HG21 THR A 40 3.412 15.900 -18.525 1.00 70.11 H new ATOM 0 HG22 THR A 40 4.066 14.299 -18.946 1.00 70.11 H new ATOM 0 HG23 THR A 40 5.072 15.465 -18.054 1.00 70.11 H new ATOM 620 N GLY A 41 6.147 14.719 -22.992 1.00 74.22 N ATOM 621 CA GLY A 41 6.471 14.956 -24.388 1.00 71.51 C ATOM 622 C GLY A 41 7.911 14.540 -24.695 1.00 41.34 C ATOM 623 O GLY A 41 8.541 15.091 -25.597 1.00 43.02 O ATOM 0 H GLY A 41 5.638 13.854 -22.813 1.00 74.22 H new ATOM 0 HA2 GLY A 41 5.784 14.398 -25.024 1.00 71.51 H new ATOM 0 HA3 GLY A 41 6.336 16.012 -24.622 1.00 71.51 H new ATOM 627 N GLN A 42 8.390 13.572 -23.928 1.00 44.12 N ATOM 628 CA GLN A 42 9.744 13.076 -24.107 1.00 73.11 C ATOM 629 C GLN A 42 9.761 11.933 -25.122 1.00 50.22 C ATOM 630 O GLN A 42 10.579 11.925 -26.040 1.00 50.14 O ATOM 631 CB GLN A 42 10.346 12.633 -22.772 1.00 52.53 C ATOM 632 CG GLN A 42 10.824 13.837 -21.959 1.00 41.42 C ATOM 633 CD GLN A 42 11.811 14.686 -22.763 1.00 13.22 C ATOM 634 OE1 GLN A 42 13.001 14.420 -22.812 1.00 42.03 O ATOM 635 NE2 GLN A 42 11.252 15.717 -23.390 1.00 33.53 N ATOM 0 H GLN A 42 7.865 13.118 -23.181 1.00 44.12 H new ATOM 0 HA GLN A 42 10.359 13.888 -24.494 1.00 73.11 H new ATOM 0 HB2 GLN A 42 9.603 12.076 -22.201 1.00 52.53 H new ATOM 0 HB3 GLN A 42 11.182 11.957 -22.953 1.00 52.53 H new ATOM 0 HG2 GLN A 42 9.968 14.446 -21.668 1.00 41.42 H new ATOM 0 HG3 GLN A 42 11.299 13.494 -21.040 1.00 41.42 H new ATOM 0 HE21 GLN A 42 10.249 15.882 -23.306 1.00 33.53 H new ATOM 0 HE22 GLN A 42 11.826 16.343 -23.955 1.00 33.53 H new ATOM 644 N ALA A 43 8.847 10.994 -24.925 1.00 21.43 N ATOM 645 CA ALA A 43 8.746 9.848 -25.812 1.00 13.43 C ATOM 646 C ALA A 43 8.959 10.307 -27.256 1.00 25.42 C ATOM 647 O ALA A 43 8.044 10.840 -27.882 1.00 21.44 O ATOM 648 CB ALA A 43 7.394 9.163 -25.610 1.00 52.04 C ATOM 0 H ALA A 43 8.169 11.004 -24.163 1.00 21.43 H new ATOM 0 HA ALA A 43 9.519 9.115 -25.582 1.00 13.43 H new ATOM 0 HB1 ALA A 43 7.319 8.303 -26.276 1.00 52.04 H new ATOM 0 HB2 ALA A 43 7.306 8.830 -24.576 1.00 52.04 H new ATOM 0 HB3 ALA A 43 6.592 9.867 -25.834 1.00 52.04 H new ATOM 654 N PRO A 44 10.203 10.078 -27.756 1.00 54.23 N ATOM 655 CA PRO A 44 10.546 10.462 -29.114 1.00 32.32 C ATOM 656 C PRO A 44 9.924 9.500 -30.130 1.00 45.34 C ATOM 657 O PRO A 44 9.534 8.388 -29.779 1.00 73.41 O ATOM 658 CB PRO A 44 12.065 10.462 -29.150 1.00 53.35 C ATOM 659 CG PRO A 44 12.512 9.632 -27.956 1.00 23.34 C ATOM 660 CD PRO A 44 11.311 9.449 -27.043 1.00 50.12 C ATOM 0 HA PRO A 44 10.154 11.442 -29.386 1.00 32.32 H new ATOM 0 HB2 PRO A 44 12.433 10.034 -30.082 1.00 53.35 H new ATOM 0 HB3 PRO A 44 12.457 11.477 -29.088 1.00 53.35 H new ATOM 0 HG2 PRO A 44 12.894 8.665 -28.284 1.00 23.34 H new ATOM 0 HG3 PRO A 44 13.323 10.131 -27.426 1.00 23.34 H new ATOM 0 HD2 PRO A 44 11.113 8.394 -26.856 1.00 50.12 H new ATOM 0 HD3 PRO A 44 11.476 9.919 -26.073 1.00 50.12 H new ATOM 668 N GLY A 45 9.851 9.965 -31.368 1.00 22.12 N ATOM 669 CA GLY A 45 9.283 9.161 -32.437 1.00 73.44 C ATOM 670 C GLY A 45 7.835 8.779 -32.125 1.00 55.25 C ATOM 671 O GLY A 45 7.299 7.835 -32.704 1.00 72.31 O ATOM 0 H GLY A 45 10.176 10.888 -31.655 1.00 22.12 H new ATOM 0 HA2 GLY A 45 9.323 9.716 -33.375 1.00 73.44 H new ATOM 0 HA3 GLY A 45 9.879 8.259 -32.575 1.00 73.44 H new ATOM 675 N TYR A 46 7.241 9.533 -31.211 1.00 11.53 N ATOM 676 CA TYR A 46 5.865 9.286 -30.816 1.00 1.24 C ATOM 677 C TYR A 46 4.924 10.329 -31.420 1.00 3.31 C ATOM 678 O TYR A 46 5.375 11.345 -31.948 1.00 11.32 O ATOM 679 CB TYR A 46 5.835 9.411 -29.291 1.00 41.13 C ATOM 680 CG TYR A 46 4.529 8.937 -28.653 1.00 1.24 C ATOM 681 CD1 TYR A 46 3.873 7.833 -29.160 1.00 44.14 C ATOM 682 CD2 TYR A 46 4.005 9.612 -27.569 1.00 52.02 C ATOM 683 CE1 TYR A 46 2.644 7.386 -28.560 1.00 65.11 C ATOM 684 CE2 TYR A 46 2.774 9.164 -26.968 1.00 32.21 C ATOM 685 CZ TYR A 46 2.155 8.073 -27.493 1.00 34.24 C ATOM 686 OH TYR A 46 0.993 7.651 -26.926 1.00 1.12 O ATOM 0 H TYR A 46 7.688 10.315 -30.733 1.00 11.53 H new ATOM 0 HA TYR A 46 5.537 8.306 -31.162 1.00 1.24 H new ATOM 0 HB2 TYR A 46 6.661 8.835 -28.873 1.00 41.13 H new ATOM 0 HB3 TYR A 46 6.003 10.453 -29.019 1.00 41.13 H new ATOM 0 HD1 TYR A 46 4.283 7.304 -30.008 1.00 44.14 H new ATOM 0 HD2 TYR A 46 4.517 10.476 -27.171 1.00 52.02 H new ATOM 0 HE1 TYR A 46 2.122 6.524 -28.948 1.00 65.11 H new ATOM 0 HE2 TYR A 46 2.353 9.683 -26.120 1.00 32.21 H new ATOM 0 HH TYR A 46 0.908 6.681 -27.038 1.00 1.12 H new ATOM 696 N SER A 47 3.634 10.044 -31.322 1.00 12.14 N ATOM 697 CA SER A 47 2.626 10.946 -31.853 1.00 63.25 C ATOM 698 C SER A 47 1.851 11.599 -30.706 1.00 53.23 C ATOM 699 O SER A 47 0.629 11.727 -30.772 1.00 5.24 O ATOM 700 CB SER A 47 1.666 10.210 -32.790 1.00 53.34 C ATOM 701 OG SER A 47 1.301 11.007 -33.914 1.00 2.34 O ATOM 0 H SER A 47 3.263 9.201 -30.883 1.00 12.14 H new ATOM 0 HA SER A 47 3.131 11.721 -32.430 1.00 63.25 H new ATOM 0 HB2 SER A 47 2.133 9.288 -33.136 1.00 53.34 H new ATOM 0 HB3 SER A 47 0.769 9.926 -32.240 1.00 53.34 H new ATOM 0 HG SER A 47 0.689 10.501 -34.489 1.00 2.34 H new ATOM 707 N TYR A 48 2.594 11.993 -29.682 1.00 51.45 N ATOM 708 CA TYR A 48 1.993 12.629 -28.522 1.00 53.45 C ATOM 709 C TYR A 48 0.908 13.623 -28.943 1.00 22.32 C ATOM 710 O TYR A 48 0.842 14.020 -30.106 1.00 41.51 O ATOM 711 CB TYR A 48 3.122 13.390 -27.826 1.00 50.11 C ATOM 712 CG TYR A 48 3.701 12.666 -26.609 1.00 52.33 C ATOM 713 CD1 TYR A 48 2.859 12.047 -25.708 1.00 54.41 C ATOM 714 CD2 TYR A 48 5.067 12.632 -26.412 1.00 33.34 C ATOM 715 CE1 TYR A 48 3.405 11.364 -24.563 1.00 15.30 C ATOM 716 CE2 TYR A 48 5.613 11.949 -25.268 1.00 74.44 C ATOM 717 CZ TYR A 48 4.755 11.349 -24.399 1.00 60.15 C ATOM 718 OH TYR A 48 5.270 10.706 -23.318 1.00 3.35 O ATOM 0 H TYR A 48 3.607 11.884 -29.632 1.00 51.45 H new ATOM 0 HA TYR A 48 1.529 11.886 -27.874 1.00 53.45 H new ATOM 0 HB2 TYR A 48 3.922 13.570 -28.544 1.00 50.11 H new ATOM 0 HB3 TYR A 48 2.750 14.366 -27.513 1.00 50.11 H new ATOM 0 HD1 TYR A 48 1.790 12.075 -25.861 1.00 54.41 H new ATOM 0 HD2 TYR A 48 5.726 13.118 -27.116 1.00 33.34 H new ATOM 0 HE1 TYR A 48 2.757 10.875 -23.851 1.00 15.30 H new ATOM 0 HE2 TYR A 48 6.680 11.914 -25.103 1.00 74.44 H new ATOM 0 HH TYR A 48 6.247 10.776 -23.331 1.00 3.35 H new ATOM 728 N THR A 49 0.084 13.997 -27.974 1.00 35.11 N ATOM 729 CA THR A 49 -0.995 14.936 -28.229 1.00 64.22 C ATOM 730 C THR A 49 -0.529 16.368 -27.956 1.00 54.14 C ATOM 731 O THR A 49 0.413 16.584 -27.196 1.00 75.51 O ATOM 732 CB THR A 49 -2.197 14.516 -27.384 1.00 13.11 C ATOM 733 OG1 THR A 49 -1.748 14.669 -26.041 1.00 51.35 O ATOM 734 CG2 THR A 49 -2.506 13.022 -27.505 1.00 63.01 C ATOM 0 H THR A 49 0.142 13.666 -27.011 1.00 35.11 H new ATOM 0 HA THR A 49 -1.296 14.919 -29.276 1.00 64.22 H new ATOM 0 HB THR A 49 -3.071 15.093 -27.686 1.00 13.11 H new ATOM 0 HG1 THR A 49 -2.468 14.419 -25.425 1.00 51.35 H new ATOM 0 HG21 THR A 49 -3.368 12.777 -26.885 1.00 63.01 H new ATOM 0 HG22 THR A 49 -2.726 12.779 -28.545 1.00 63.01 H new ATOM 0 HG23 THR A 49 -1.644 12.444 -27.172 1.00 63.01 H new ATOM 742 N ALA A 50 -1.213 17.309 -28.591 1.00 24.34 N ATOM 743 CA ALA A 50 -0.882 18.714 -28.425 1.00 24.32 C ATOM 744 C ALA A 50 -1.169 19.134 -26.982 1.00 54.32 C ATOM 745 O ALA A 50 -0.735 20.199 -26.544 1.00 62.11 O ATOM 746 CB ALA A 50 -1.666 19.547 -29.442 1.00 42.13 C ATOM 0 H ALA A 50 -1.994 17.126 -29.221 1.00 24.34 H new ATOM 0 HA ALA A 50 0.178 18.883 -28.613 1.00 24.32 H new ATOM 0 HB1 ALA A 50 -1.418 20.601 -29.318 1.00 42.13 H new ATOM 0 HB2 ALA A 50 -1.405 19.229 -30.451 1.00 42.13 H new ATOM 0 HB3 ALA A 50 -2.735 19.405 -29.282 1.00 42.13 H new ATOM 752 N ALA A 51 -1.899 18.278 -26.284 1.00 13.53 N ATOM 753 CA ALA A 51 -2.248 18.547 -24.899 1.00 20.33 C ATOM 754 C ALA A 51 -1.313 17.759 -23.979 1.00 71.23 C ATOM 755 O ALA A 51 -1.442 17.820 -22.758 1.00 42.11 O ATOM 756 CB ALA A 51 -3.721 18.202 -24.668 1.00 31.52 C ATOM 0 H ALA A 51 -2.259 17.397 -26.651 1.00 13.53 H new ATOM 0 HA ALA A 51 -2.121 19.605 -24.669 1.00 20.33 H new ATOM 0 HB1 ALA A 51 -3.983 18.404 -23.629 1.00 31.52 H new ATOM 0 HB2 ALA A 51 -4.344 18.810 -25.324 1.00 31.52 H new ATOM 0 HB3 ALA A 51 -3.886 17.147 -24.886 1.00 31.52 H new ATOM 762 N ASN A 52 -0.393 17.036 -24.601 1.00 33.55 N ATOM 763 CA ASN A 52 0.563 16.237 -23.853 1.00 3.30 C ATOM 764 C ASN A 52 1.725 17.126 -23.406 1.00 32.21 C ATOM 765 O ASN A 52 1.984 17.260 -22.211 1.00 0.33 O ATOM 766 CB ASN A 52 1.135 15.112 -24.718 1.00 62.11 C ATOM 767 CG ASN A 52 1.793 14.036 -23.852 1.00 74.35 C ATOM 768 OD1 ASN A 52 1.311 12.923 -23.725 1.00 73.55 O ATOM 769 ND2 ASN A 52 2.920 14.429 -23.265 1.00 24.25 N ATOM 0 H ASN A 52 -0.289 16.987 -25.615 1.00 33.55 H new ATOM 0 HA ASN A 52 0.046 15.806 -22.996 1.00 3.30 H new ATOM 0 HB2 ASN A 52 0.339 14.667 -25.315 1.00 62.11 H new ATOM 0 HB3 ASN A 52 1.866 15.520 -25.415 1.00 62.11 H new ATOM 0 HD21 ASN A 52 3.435 13.783 -22.666 1.00 24.25 H new ATOM 0 HD22 ASN A 52 3.269 15.376 -23.413 1.00 24.25 H new ATOM 776 N LYS A 53 2.393 17.712 -24.388 1.00 51.52 N ATOM 777 CA LYS A 53 3.521 18.583 -24.110 1.00 63.12 C ATOM 778 C LYS A 53 3.008 19.907 -23.539 1.00 71.04 C ATOM 779 O LYS A 53 3.723 20.590 -22.807 1.00 34.03 O ATOM 780 CB LYS A 53 4.392 18.749 -25.358 1.00 51.14 C ATOM 781 CG LYS A 53 4.427 17.457 -26.176 1.00 72.33 C ATOM 782 CD LYS A 53 3.510 17.556 -27.397 1.00 61.33 C ATOM 783 CE LYS A 53 4.291 18.001 -28.634 1.00 25.12 C ATOM 784 NZ LYS A 53 5.174 16.913 -29.109 1.00 11.21 N1+ ATOM 0 H LYS A 53 2.174 17.600 -25.378 1.00 51.52 H new ATOM 0 HA LYS A 53 4.168 18.138 -23.355 1.00 63.12 H new ATOM 0 HB2 LYS A 53 4.004 19.562 -25.972 1.00 51.14 H new ATOM 0 HB3 LYS A 53 5.405 19.026 -25.065 1.00 51.14 H new ATOM 0 HG2 LYS A 53 5.448 17.255 -26.499 1.00 72.33 H new ATOM 0 HG3 LYS A 53 4.118 16.619 -25.552 1.00 72.33 H new ATOM 0 HD2 LYS A 53 3.044 16.589 -27.585 1.00 61.33 H new ATOM 0 HD3 LYS A 53 2.706 18.264 -27.196 1.00 61.33 H new ATOM 0 HE2 LYS A 53 3.598 18.287 -29.425 1.00 25.12 H new ATOM 0 HE3 LYS A 53 4.886 18.883 -28.398 1.00 25.12 H new ATOM 0 HZ1 LYS A 53 5.418 17.074 -30.107 1.00 11.21 H new ATOM 0 HZ2 LYS A 53 6.043 16.897 -28.538 1.00 11.21 H new ATOM 0 HZ3 LYS A 53 4.682 16.001 -29.016 1.00 11.21 H new ATOM 797 N ASN A 54 1.773 20.229 -23.895 1.00 23.11 N ATOM 798 CA ASN A 54 1.156 21.459 -23.426 1.00 62.43 C ATOM 799 C ASN A 54 1.531 21.686 -21.960 1.00 74.05 C ATOM 800 O ASN A 54 2.239 22.638 -21.638 1.00 24.23 O ATOM 801 CB ASN A 54 -0.369 21.379 -23.517 1.00 40.12 C ATOM 802 CG ASN A 54 -1.003 22.758 -23.326 1.00 73.51 C ATOM 803 OD1 ASN A 54 -0.922 23.365 -22.270 1.00 23.41 O ATOM 804 ND2 ASN A 54 -1.636 23.216 -24.401 1.00 32.23 N ATOM 0 H ASN A 54 1.183 19.660 -24.502 1.00 23.11 H new ATOM 0 HA ASN A 54 1.513 22.276 -24.053 1.00 62.43 H new ATOM 0 HB2 ASN A 54 -0.658 20.973 -24.486 1.00 40.12 H new ATOM 0 HB3 ASN A 54 -0.747 20.693 -22.759 1.00 40.12 H new ATOM 0 HD21 ASN A 54 -2.093 24.128 -24.374 1.00 32.23 H new ATOM 0 HD22 ASN A 54 -1.665 22.656 -25.253 1.00 32.23 H new ATOM 811 N LYS A 55 1.039 20.795 -21.112 1.00 72.24 N ATOM 812 CA LYS A 55 1.314 20.887 -19.688 1.00 1.14 C ATOM 813 C LYS A 55 2.797 21.194 -19.478 1.00 53.42 C ATOM 814 O LYS A 55 3.177 22.353 -19.311 1.00 12.22 O ATOM 815 CB LYS A 55 0.839 19.622 -18.968 1.00 73.04 C ATOM 816 CG LYS A 55 -0.686 19.594 -18.857 1.00 64.50 C ATOM 817 CD LYS A 55 -1.186 20.679 -17.902 1.00 75.50 C ATOM 818 CE LYS A 55 -0.460 20.605 -16.557 1.00 64.34 C ATOM 819 NZ LYS A 55 0.793 21.393 -16.601 1.00 3.42 N1+ ATOM 0 H LYS A 55 0.452 20.006 -21.383 1.00 72.24 H new ATOM 0 HA LYS A 55 0.753 21.709 -19.244 1.00 1.14 H new ATOM 0 HB2 LYS A 55 1.184 18.741 -19.508 1.00 73.04 H new ATOM 0 HB3 LYS A 55 1.280 19.579 -17.972 1.00 73.04 H new ATOM 0 HG2 LYS A 55 -1.129 19.740 -19.842 1.00 64.50 H new ATOM 0 HG3 LYS A 55 -1.011 18.615 -18.503 1.00 64.50 H new ATOM 0 HD2 LYS A 55 -1.031 21.661 -18.349 1.00 75.50 H new ATOM 0 HD3 LYS A 55 -2.259 20.565 -17.747 1.00 75.50 H new ATOM 0 HE2 LYS A 55 -1.107 20.984 -15.766 1.00 64.34 H new ATOM 0 HE3 LYS A 55 -0.235 19.566 -16.315 1.00 64.34 H new ATOM 0 HZ1 LYS A 55 0.916 21.900 -15.701 1.00 3.42 H new ATOM 0 HZ2 LYS A 55 1.600 20.754 -16.752 1.00 3.42 H new ATOM 0 HZ3 LYS A 55 0.744 22.079 -17.381 1.00 3.42 H new ATOM 832 N GLY A 56 3.595 20.138 -19.492 1.00 41.10 N ATOM 833 CA GLY A 56 5.030 20.281 -19.305 1.00 23.55 C ATOM 834 C GLY A 56 5.394 20.255 -17.819 1.00 73.03 C ATOM 835 O GLY A 56 5.670 21.296 -17.226 1.00 71.12 O ATOM 0 H GLY A 56 3.276 19.179 -19.630 1.00 41.10 H new ATOM 0 HA2 GLY A 56 5.550 19.476 -19.825 1.00 23.55 H new ATOM 0 HA3 GLY A 56 5.367 21.218 -19.749 1.00 23.55 H new ATOM 839 N ILE A 57 5.383 19.053 -17.261 1.00 34.25 N ATOM 840 CA ILE A 57 5.709 18.877 -15.856 1.00 4.20 C ATOM 841 C ILE A 57 6.588 17.635 -15.692 1.00 44.42 C ATOM 842 O ILE A 57 6.671 16.806 -16.597 1.00 10.04 O ATOM 843 CB ILE A 57 4.435 18.846 -15.010 1.00 10.34 C ATOM 844 CG1 ILE A 57 3.280 18.204 -15.782 1.00 23.30 C ATOM 845 CG2 ILE A 57 4.079 20.246 -14.505 1.00 35.13 C ATOM 846 CD1 ILE A 57 3.521 16.707 -15.984 1.00 51.13 C ATOM 0 H ILE A 57 5.153 18.192 -17.757 1.00 34.25 H new ATOM 0 HA ILE A 57 6.286 19.726 -15.490 1.00 4.20 H new ATOM 0 HB ILE A 57 4.621 18.225 -14.134 1.00 10.34 H new ATOM 0 HG12 ILE A 57 2.347 18.356 -15.240 1.00 23.30 H new ATOM 0 HG13 ILE A 57 3.169 18.692 -16.750 1.00 23.30 H new ATOM 0 HG21 ILE A 57 3.169 20.196 -13.906 1.00 35.13 H new ATOM 0 HG22 ILE A 57 4.895 20.631 -13.894 1.00 35.13 H new ATOM 0 HG23 ILE A 57 3.918 20.909 -15.355 1.00 35.13 H new ATOM 0 HD11 ILE A 57 2.686 16.275 -16.535 1.00 51.13 H new ATOM 0 HD12 ILE A 57 4.442 16.560 -16.547 1.00 51.13 H new ATOM 0 HD13 ILE A 57 3.607 16.218 -15.014 1.00 51.13 H new ATOM 858 N ILE A 58 7.218 17.545 -14.531 1.00 31.21 N ATOM 859 CA ILE A 58 8.087 16.417 -14.236 1.00 43.43 C ATOM 860 C ILE A 58 7.309 15.379 -13.425 1.00 60.14 C ATOM 861 O ILE A 58 7.091 15.556 -12.228 1.00 21.20 O ATOM 862 CB ILE A 58 9.371 16.894 -13.554 1.00 45.12 C ATOM 863 CG1 ILE A 58 10.132 17.877 -14.444 1.00 53.42 C ATOM 864 CG2 ILE A 58 10.242 15.707 -13.136 1.00 60.01 C ATOM 865 CD1 ILE A 58 10.834 17.149 -15.592 1.00 11.43 C ATOM 0 H ILE A 58 7.145 18.234 -13.783 1.00 31.21 H new ATOM 0 HA ILE A 58 8.405 15.929 -15.157 1.00 43.43 H new ATOM 0 HB ILE A 58 9.097 17.429 -12.645 1.00 45.12 H new ATOM 0 HG12 ILE A 58 9.441 18.618 -14.847 1.00 53.42 H new ATOM 0 HG13 ILE A 58 10.867 18.418 -13.848 1.00 53.42 H new ATOM 0 HG21 ILE A 58 11.148 16.073 -12.654 1.00 60.01 H new ATOM 0 HG22 ILE A 58 9.689 15.077 -12.439 1.00 60.01 H new ATOM 0 HG23 ILE A 58 10.510 15.124 -14.017 1.00 60.01 H new ATOM 0 HD11 ILE A 58 11.367 17.872 -16.209 1.00 11.43 H new ATOM 0 HD12 ILE A 58 11.542 16.426 -15.186 1.00 11.43 H new ATOM 0 HD13 ILE A 58 10.094 16.629 -16.200 1.00 11.43 H new ATOM 877 N TRP A 59 6.911 14.316 -14.111 1.00 42.03 N ATOM 878 CA TRP A 59 6.163 13.249 -13.470 1.00 53.42 C ATOM 879 C TRP A 59 6.866 12.901 -12.157 1.00 35.14 C ATOM 880 O TRP A 59 7.983 13.351 -11.909 1.00 11.40 O ATOM 881 CB TRP A 59 6.012 12.047 -14.406 1.00 61.43 C ATOM 882 CG TRP A 59 5.206 12.341 -15.672 1.00 4.33 C ATOM 883 CD1 TRP A 59 5.578 12.162 -16.946 1.00 71.34 C ATOM 884 CD2 TRP A 59 3.866 12.875 -15.734 1.00 13.24 C ATOM 885 NE1 TRP A 59 4.580 12.541 -17.823 1.00 20.21 N ATOM 886 CE2 TRP A 59 3.506 12.988 -17.061 1.00 13.32 C ATOM 887 CE3 TRP A 59 2.987 13.250 -14.702 1.00 30.40 C ATOM 888 CZ2 TRP A 59 2.263 13.476 -17.480 1.00 41.54 C ATOM 889 CZ3 TRP A 59 1.749 13.736 -15.136 1.00 15.13 C ATOM 890 CH2 TRP A 59 1.371 13.856 -16.469 1.00 21.05 C ATOM 0 H TRP A 59 7.093 14.172 -15.104 1.00 42.03 H new ATOM 0 HA TRP A 59 5.147 13.571 -13.245 1.00 53.42 H new ATOM 0 HB2 TRP A 59 7.003 11.696 -14.692 1.00 61.43 H new ATOM 0 HB3 TRP A 59 5.531 11.234 -13.862 1.00 61.43 H new ATOM 0 HD1 TRP A 59 6.538 11.771 -17.250 1.00 71.34 H new ATOM 0 HE1 TRP A 59 4.623 12.500 -18.841 1.00 20.21 H new ATOM 0 HE3 TRP A 59 3.247 13.169 -13.657 1.00 30.40 H new ATOM 0 HZ2 TRP A 59 2.006 13.555 -18.526 1.00 41.54 H new ATOM 0 HZ3 TRP A 59 1.037 14.039 -14.383 1.00 15.13 H new ATOM 0 HH2 TRP A 59 0.394 14.240 -16.723 1.00 21.05 H new ATOM 901 N GLY A 60 6.181 12.103 -11.351 1.00 53.12 N ATOM 902 CA GLY A 60 6.726 11.689 -10.069 1.00 65.12 C ATOM 903 C GLY A 60 5.683 10.929 -9.248 1.00 54.35 C ATOM 904 O GLY A 60 4.844 10.223 -9.806 1.00 52.13 O ATOM 0 H GLY A 60 5.254 11.732 -11.561 1.00 53.12 H new ATOM 0 HA2 GLY A 60 7.599 11.057 -10.229 1.00 65.12 H new ATOM 0 HA3 GLY A 60 7.063 12.564 -9.514 1.00 65.12 H new ATOM 908 N GLU A 61 5.768 11.098 -7.937 1.00 1.21 N ATOM 909 CA GLU A 61 4.842 10.436 -7.035 1.00 74.52 C ATOM 910 C GLU A 61 3.611 11.313 -6.800 1.00 21.13 C ATOM 911 O GLU A 61 2.525 10.805 -6.526 1.00 72.12 O ATOM 912 CB GLU A 61 5.524 10.081 -5.711 1.00 44.23 C ATOM 913 CG GLU A 61 4.950 8.788 -5.128 1.00 1.31 C ATOM 914 CD GLU A 61 5.712 8.371 -3.870 1.00 23.15 C ATOM 915 OE1 GLU A 61 6.888 8.726 -3.709 1.00 64.15 O ATOM 916 OE2 GLU A 61 5.037 7.649 -3.039 1.00 43.33 O1- ATOM 0 H GLU A 61 6.465 11.684 -7.478 1.00 1.21 H new ATOM 0 HA GLU A 61 4.517 9.505 -7.499 1.00 74.52 H new ATOM 0 HB2 GLU A 61 6.597 9.968 -5.869 1.00 44.23 H new ATOM 0 HB3 GLU A 61 5.391 10.896 -4.999 1.00 44.23 H new ATOM 0 HG2 GLU A 61 3.896 8.929 -4.890 1.00 1.31 H new ATOM 0 HG3 GLU A 61 5.005 7.993 -5.872 1.00 1.31 H new ATOM 924 N ASP A 62 3.822 12.616 -6.916 1.00 52.34 N ATOM 925 CA ASP A 62 2.743 13.569 -6.720 1.00 22.22 C ATOM 926 C ASP A 62 2.080 13.868 -8.066 1.00 44.15 C ATOM 927 O ASP A 62 0.919 13.526 -8.280 1.00 22.13 O ATOM 928 CB ASP A 62 3.269 14.888 -6.149 1.00 1.41 C ATOM 929 CG ASP A 62 3.651 14.844 -4.668 1.00 52.20 C ATOM 930 OD1 ASP A 62 3.460 15.823 -3.931 1.00 2.01 O ATOM 931 OD2 ASP A 62 4.171 13.733 -4.271 1.00 21.24 O1- ATOM 0 H ASP A 62 4.724 13.034 -7.143 1.00 52.34 H new ATOM 0 HA ASP A 62 2.031 13.131 -6.020 1.00 22.22 H new ATOM 0 HB2 ASP A 62 4.142 15.194 -6.725 1.00 1.41 H new ATOM 0 HB3 ASP A 62 2.509 15.657 -6.290 1.00 1.41 H new ATOM 937 N THR A 63 2.849 14.502 -8.940 1.00 72.52 N ATOM 938 CA THR A 63 2.351 14.851 -10.260 1.00 21.51 C ATOM 939 C THR A 63 1.487 13.720 -10.819 1.00 21.32 C ATOM 940 O THR A 63 0.562 13.964 -11.592 1.00 40.52 O ATOM 941 CB THR A 63 3.553 15.192 -11.143 1.00 0.41 C ATOM 942 OG1 THR A 63 4.412 14.061 -11.013 1.00 52.45 O ATOM 943 CG2 THR A 63 4.380 16.353 -10.585 1.00 31.44 C ATOM 0 H THR A 63 3.813 14.783 -8.760 1.00 72.52 H new ATOM 0 HA THR A 63 1.701 15.725 -10.220 1.00 21.51 H new ATOM 0 HB THR A 63 3.206 15.442 -12.146 1.00 0.41 H new ATOM 0 HG1 THR A 63 5.209 14.313 -10.502 1.00 52.45 H new ATOM 0 HG21 THR A 63 5.220 16.554 -11.250 1.00 31.44 H new ATOM 0 HG22 THR A 63 3.755 17.243 -10.512 1.00 31.44 H new ATOM 0 HG23 THR A 63 4.755 16.090 -9.596 1.00 31.44 H new ATOM 951 N LEU A 64 1.819 12.505 -10.407 1.00 13.22 N ATOM 952 CA LEU A 64 1.085 11.334 -10.858 1.00 63.53 C ATOM 953 C LEU A 64 -0.223 11.225 -10.070 1.00 64.34 C ATOM 954 O LEU A 64 -1.306 11.304 -10.646 1.00 55.10 O ATOM 955 CB LEU A 64 1.962 10.085 -10.771 1.00 44.42 C ATOM 956 CG LEU A 64 2.798 9.764 -12.012 1.00 60.21 C ATOM 957 CD1 LEU A 64 3.553 8.445 -11.839 1.00 64.04 C ATOM 958 CD2 LEU A 64 1.930 9.767 -13.273 1.00 52.11 C ATOM 0 H LEU A 64 2.587 12.306 -9.766 1.00 13.22 H new ATOM 0 HA LEU A 64 0.818 11.433 -11.910 1.00 63.53 H new ATOM 0 HB2 LEU A 64 2.636 10.197 -9.922 1.00 44.42 H new ATOM 0 HB3 LEU A 64 1.321 9.229 -10.558 1.00 44.42 H new ATOM 0 HG LEU A 64 3.545 10.548 -12.133 1.00 60.21 H new ATOM 0 HD11 LEU A 64 4.139 8.241 -12.735 1.00 64.04 H new ATOM 0 HD12 LEU A 64 4.219 8.517 -10.979 1.00 64.04 H new ATOM 0 HD13 LEU A 64 2.840 7.636 -11.680 1.00 64.04 H new ATOM 0 HD21 LEU A 64 2.548 9.536 -14.141 1.00 52.11 H new ATOM 0 HD22 LEU A 64 1.145 9.017 -13.176 1.00 52.11 H new ATOM 0 HD23 LEU A 64 1.478 10.750 -13.401 1.00 52.11 H new ATOM 970 N MET A 65 -0.077 11.042 -8.767 1.00 33.24 N ATOM 971 CA MET A 65 -1.233 10.920 -7.894 1.00 54.13 C ATOM 972 C MET A 65 -2.354 11.865 -8.333 1.00 25.33 C ATOM 973 O MET A 65 -3.532 11.566 -8.145 1.00 22.02 O ATOM 974 CB MET A 65 -0.825 11.245 -6.456 1.00 42.51 C ATOM 975 CG MET A 65 -0.391 9.982 -5.710 1.00 50.02 C ATOM 976 SD MET A 65 -0.792 10.128 -3.977 1.00 13.13 S ATOM 977 CE MET A 65 -2.303 9.179 -3.927 1.00 15.21 C ATOM 0 H MET A 65 0.824 10.975 -8.294 1.00 33.24 H new ATOM 0 HA MET A 65 -1.602 9.896 -7.953 1.00 54.13 H new ATOM 0 HB2 MET A 65 -0.009 11.968 -6.460 1.00 42.51 H new ATOM 0 HB3 MET A 65 -1.661 11.711 -5.934 1.00 42.51 H new ATOM 0 HG2 MET A 65 -0.888 9.110 -6.135 1.00 50.02 H new ATOM 0 HG3 MET A 65 0.681 9.828 -5.832 1.00 50.02 H new ATOM 0 HE1 MET A 65 -2.994 9.633 -3.217 1.00 15.21 H new ATOM 0 HE2 MET A 65 -2.757 9.165 -4.918 1.00 15.21 H new ATOM 0 HE3 MET A 65 -2.081 8.158 -3.616 1.00 15.21 H new ATOM 987 N GLU A 66 -1.947 12.986 -8.910 1.00 74.14 N ATOM 988 CA GLU A 66 -2.902 13.976 -9.377 1.00 73.33 C ATOM 989 C GLU A 66 -3.472 13.565 -10.737 1.00 2.43 C ATOM 990 O GLU A 66 -4.687 13.569 -10.931 1.00 72.31 O ATOM 991 CB GLU A 66 -2.262 15.364 -9.449 1.00 53.20 C ATOM 992 CG GLU A 66 -3.329 16.457 -9.540 1.00 12.14 C ATOM 993 CD GLU A 66 -3.893 16.789 -8.157 1.00 45.11 C ATOM 994 OE1 GLU A 66 -4.903 16.201 -7.741 1.00 41.11 O ATOM 995 OE2 GLU A 66 -3.242 17.691 -7.504 1.00 22.52 O1- ATOM 0 H GLU A 66 -0.969 13.230 -9.065 1.00 74.14 H new ATOM 0 HA GLU A 66 -3.722 14.026 -8.661 1.00 73.33 H new ATOM 0 HB2 GLU A 66 -1.642 15.529 -8.568 1.00 53.20 H new ATOM 0 HB3 GLU A 66 -1.604 15.420 -10.316 1.00 53.20 H new ATOM 0 HG2 GLU A 66 -2.899 17.354 -9.986 1.00 12.14 H new ATOM 0 HG3 GLU A 66 -4.135 16.129 -10.196 1.00 12.14 H new ATOM 1003 N TYR A 67 -2.568 13.219 -11.642 1.00 23.00 N ATOM 1004 CA TYR A 67 -2.965 12.806 -12.976 1.00 3.25 C ATOM 1005 C TYR A 67 -3.931 11.620 -12.919 1.00 54.14 C ATOM 1006 O TYR A 67 -4.929 11.592 -13.637 1.00 20.25 O ATOM 1007 CB TYR A 67 -1.681 12.368 -13.682 1.00 71.14 C ATOM 1008 CG TYR A 67 -1.907 11.776 -15.074 1.00 24.31 C ATOM 1009 CD1 TYR A 67 -2.230 12.602 -16.132 1.00 40.42 C ATOM 1010 CD2 TYR A 67 -1.787 10.415 -15.274 1.00 64.21 C ATOM 1011 CE1 TYR A 67 -2.443 12.046 -17.442 1.00 20.05 C ATOM 1012 CE2 TYR A 67 -2.000 9.859 -16.585 1.00 44.34 C ATOM 1013 CZ TYR A 67 -2.317 10.701 -17.604 1.00 2.03 C ATOM 1014 OH TYR A 67 -2.518 10.175 -18.842 1.00 60.35 O ATOM 0 H TYR A 67 -1.561 13.216 -11.477 1.00 23.00 H new ATOM 0 HA TYR A 67 -3.470 13.621 -13.495 1.00 3.25 H new ATOM 0 HB2 TYR A 67 -1.015 13.226 -13.767 1.00 71.14 H new ATOM 0 HB3 TYR A 67 -1.172 11.630 -13.063 1.00 71.14 H new ATOM 0 HD1 TYR A 67 -2.323 13.667 -15.976 1.00 40.42 H new ATOM 0 HD2 TYR A 67 -1.533 9.768 -14.447 1.00 64.21 H new ATOM 0 HE1 TYR A 67 -2.697 12.682 -18.277 1.00 20.05 H new ATOM 0 HE2 TYR A 67 -1.910 8.796 -16.755 1.00 44.34 H new ATOM 0 HH TYR A 67 -2.895 9.275 -18.758 1.00 60.35 H new ATOM 1024 N LEU A 68 -3.601 10.671 -12.055 1.00 23.24 N ATOM 1025 CA LEU A 68 -4.427 9.485 -11.894 1.00 1.14 C ATOM 1026 C LEU A 68 -5.857 9.908 -11.555 1.00 70.03 C ATOM 1027 O LEU A 68 -6.806 9.477 -12.207 1.00 54.01 O ATOM 1028 CB LEU A 68 -3.806 8.537 -10.867 1.00 71.15 C ATOM 1029 CG LEU A 68 -2.727 7.589 -11.396 1.00 40.05 C ATOM 1030 CD1 LEU A 68 -1.776 7.162 -10.276 1.00 22.43 C ATOM 1031 CD2 LEU A 68 -3.352 6.387 -12.105 1.00 54.34 C ATOM 0 H LEU A 68 -2.774 10.699 -11.459 1.00 23.24 H new ATOM 0 HA LEU A 68 -4.473 8.922 -12.826 1.00 1.14 H new ATOM 0 HB2 LEU A 68 -3.375 9.135 -10.064 1.00 71.15 H new ATOM 0 HB3 LEU A 68 -4.603 7.939 -10.426 1.00 71.15 H new ATOM 0 HG LEU A 68 -2.134 8.126 -12.136 1.00 40.05 H new ATOM 0 HD11 LEU A 68 -1.019 6.489 -10.678 1.00 22.43 H new ATOM 0 HD12 LEU A 68 -1.291 8.043 -9.855 1.00 22.43 H new ATOM 0 HD13 LEU A 68 -2.339 6.650 -9.496 1.00 22.43 H new ATOM 0 HD21 LEU A 68 -2.563 5.730 -12.471 1.00 54.34 H new ATOM 0 HD22 LEU A 68 -3.984 5.840 -11.405 1.00 54.34 H new ATOM 0 HD23 LEU A 68 -3.955 6.733 -12.945 1.00 54.34 H new ATOM 1043 N GLU A 69 -5.966 10.747 -10.536 1.00 20.13 N ATOM 1044 CA GLU A 69 -7.265 11.234 -10.102 1.00 44.21 C ATOM 1045 C GLU A 69 -8.096 11.676 -11.308 1.00 21.20 C ATOM 1046 O GLU A 69 -9.324 11.611 -11.278 1.00 32.34 O ATOM 1047 CB GLU A 69 -7.116 12.372 -9.092 1.00 23.33 C ATOM 1048 CG GLU A 69 -8.478 12.969 -8.732 1.00 33.31 C ATOM 1049 CD GLU A 69 -8.467 13.542 -7.313 1.00 75.21 C ATOM 1050 OE1 GLU A 69 -7.688 14.462 -7.022 1.00 44.32 O ATOM 1051 OE2 GLU A 69 -9.308 13.000 -6.500 1.00 54.32 O1- ATOM 0 H GLU A 69 -5.176 11.102 -9.998 1.00 20.13 H new ATOM 0 HA GLU A 69 -7.788 10.418 -9.604 1.00 44.21 H new ATOM 0 HB2 GLU A 69 -6.628 12.001 -8.191 1.00 23.33 H new ATOM 0 HB3 GLU A 69 -6.473 13.148 -9.506 1.00 23.33 H new ATOM 0 HG2 GLU A 69 -8.735 13.754 -9.443 1.00 33.31 H new ATOM 0 HG3 GLU A 69 -9.248 12.202 -8.812 1.00 33.31 H new ATOM 1059 N ASN A 70 -7.393 12.115 -12.341 1.00 12.20 N ATOM 1060 CA ASN A 70 -8.050 12.568 -13.556 1.00 10.35 C ATOM 1061 C ASN A 70 -6.995 12.858 -14.625 1.00 50.13 C ATOM 1062 O ASN A 70 -6.499 13.978 -14.727 1.00 4.21 O ATOM 1063 CB ASN A 70 -8.837 13.857 -13.308 1.00 54.31 C ATOM 1064 CG ASN A 70 -8.082 14.787 -12.357 1.00 33.25 C ATOM 1065 OD1 ASN A 70 -6.863 14.829 -12.326 1.00 62.01 O ATOM 1066 ND2 ASN A 70 -8.872 15.526 -11.583 1.00 64.01 N ATOM 0 H ASN A 70 -6.375 12.167 -12.362 1.00 12.20 H new ATOM 0 HA ASN A 70 -8.733 11.784 -13.882 1.00 10.35 H new ATOM 0 HB2 ASN A 70 -9.015 14.366 -14.255 1.00 54.31 H new ATOM 0 HB3 ASN A 70 -9.813 13.616 -12.887 1.00 54.31 H new ATOM 0 HD21 ASN A 70 -8.464 16.177 -10.912 1.00 64.01 H new ATOM 0 HD22 ASN A 70 -9.886 15.441 -11.660 1.00 64.01 H new ATOM 1073 N PRO A 71 -6.673 11.799 -15.416 1.00 2.03 N ATOM 1074 CA PRO A 71 -5.685 11.928 -16.473 1.00 62.33 C ATOM 1075 C PRO A 71 -6.258 12.692 -17.668 1.00 21.13 C ATOM 1076 O PRO A 71 -5.518 13.095 -18.565 1.00 13.34 O ATOM 1077 CB PRO A 71 -5.286 10.501 -16.814 1.00 51.50 C ATOM 1078 CG PRO A 71 -6.394 9.617 -16.269 1.00 20.32 C ATOM 1079 CD PRO A 71 -7.238 10.456 -15.324 1.00 43.43 C ATOM 0 HA PRO A 71 -4.814 12.508 -16.168 1.00 62.33 H new ATOM 0 HB2 PRO A 71 -5.178 10.372 -17.891 1.00 51.50 H new ATOM 0 HB3 PRO A 71 -4.326 10.246 -16.365 1.00 51.50 H new ATOM 0 HG2 PRO A 71 -7.006 9.227 -17.082 1.00 20.32 H new ATOM 0 HG3 PRO A 71 -5.974 8.758 -15.745 1.00 20.32 H new ATOM 0 HD2 PRO A 71 -8.288 10.447 -15.617 1.00 43.43 H new ATOM 0 HD3 PRO A 71 -7.188 10.074 -14.304 1.00 43.43 H new ATOM 1087 N LYS A 72 -7.571 12.866 -17.644 1.00 52.22 N ATOM 1088 CA LYS A 72 -8.252 13.573 -18.715 1.00 43.01 C ATOM 1089 C LYS A 72 -8.146 15.081 -18.472 1.00 54.30 C ATOM 1090 O LYS A 72 -7.790 15.835 -19.375 1.00 52.53 O ATOM 1091 CB LYS A 72 -9.692 13.074 -18.858 1.00 3.34 C ATOM 1092 CG LYS A 72 -10.593 14.159 -19.450 1.00 13.21 C ATOM 1093 CD LYS A 72 -11.670 13.546 -20.348 1.00 21.22 C ATOM 1094 CE LYS A 72 -12.914 13.177 -19.539 1.00 74.53 C ATOM 1095 NZ LYS A 72 -13.793 12.279 -20.321 1.00 65.43 N1+ ATOM 0 H LYS A 72 -8.182 12.529 -16.899 1.00 52.22 H new ATOM 0 HA LYS A 72 -7.772 13.368 -19.672 1.00 43.01 H new ATOM 0 HB2 LYS A 72 -9.713 12.191 -19.497 1.00 3.34 H new ATOM 0 HB3 LYS A 72 -10.074 12.771 -17.883 1.00 3.34 H new ATOM 0 HG2 LYS A 72 -11.063 14.725 -18.646 1.00 13.21 H new ATOM 0 HG3 LYS A 72 -9.991 14.863 -20.026 1.00 13.21 H new ATOM 0 HD2 LYS A 72 -11.939 14.252 -21.133 1.00 21.22 H new ATOM 0 HD3 LYS A 72 -11.275 12.657 -20.840 1.00 21.22 H new ATOM 0 HE2 LYS A 72 -12.619 12.689 -18.610 1.00 74.53 H new ATOM 0 HE3 LYS A 72 -13.458 14.081 -19.265 1.00 74.53 H new ATOM 0 HZ1 LYS A 72 -14.633 12.038 -19.757 1.00 65.43 H new ATOM 0 HZ2 LYS A 72 -14.089 12.758 -21.196 1.00 65.43 H new ATOM 0 HZ3 LYS A 72 -13.276 11.409 -20.561 1.00 65.43 H new ATOM 1108 N LYS A 73 -8.463 15.474 -17.247 1.00 54.43 N ATOM 1109 CA LYS A 73 -8.408 16.878 -16.874 1.00 14.10 C ATOM 1110 C LYS A 73 -6.966 17.376 -16.991 1.00 65.14 C ATOM 1111 O LYS A 73 -6.663 18.219 -17.832 1.00 73.42 O ATOM 1112 CB LYS A 73 -9.022 17.088 -15.488 1.00 44.31 C ATOM 1113 CG LYS A 73 -10.507 16.718 -15.485 1.00 44.45 C ATOM 1114 CD LYS A 73 -11.256 17.469 -14.381 1.00 21.13 C ATOM 1115 CE LYS A 73 -12.633 16.849 -14.134 1.00 32.30 C ATOM 1116 NZ LYS A 73 -12.494 15.463 -13.634 1.00 11.51 N1+ ATOM 0 H LYS A 73 -8.759 14.845 -16.500 1.00 54.43 H new ATOM 0 HA LYS A 73 -9.009 17.478 -17.557 1.00 14.10 H new ATOM 0 HB2 LYS A 73 -8.491 16.481 -14.755 1.00 44.31 H new ATOM 0 HB3 LYS A 73 -8.902 18.129 -15.187 1.00 44.31 H new ATOM 0 HG2 LYS A 73 -10.947 16.955 -16.454 1.00 44.45 H new ATOM 0 HG3 LYS A 73 -10.618 15.644 -15.339 1.00 44.45 H new ATOM 0 HD2 LYS A 73 -10.673 17.447 -13.461 1.00 21.13 H new ATOM 0 HD3 LYS A 73 -11.370 18.516 -14.661 1.00 21.13 H new ATOM 0 HE2 LYS A 73 -13.184 17.449 -13.411 1.00 32.30 H new ATOM 0 HE3 LYS A 73 -13.211 16.853 -15.058 1.00 32.30 H new ATOM 0 HZ1 LYS A 73 -13.354 15.193 -13.115 1.00 11.51 H new ATOM 0 HZ2 LYS A 73 -12.357 14.816 -14.437 1.00 11.51 H new ATOM 0 HZ3 LYS A 73 -11.673 15.404 -12.998 1.00 11.51 H new ATOM 1129 N TYR A 74 -6.115 16.832 -16.133 1.00 0.35 N ATOM 1130 CA TYR A 74 -4.712 17.211 -16.129 1.00 13.35 C ATOM 1131 C TYR A 74 -4.201 17.436 -17.552 1.00 21.32 C ATOM 1132 O TYR A 74 -3.398 18.335 -17.793 1.00 50.24 O ATOM 1133 CB TYR A 74 -3.959 16.032 -15.509 1.00 41.13 C ATOM 1134 CG TYR A 74 -2.581 16.396 -14.954 1.00 75.44 C ATOM 1135 CD1 TYR A 74 -1.616 16.920 -15.791 1.00 25.24 C ATOM 1136 CD2 TYR A 74 -2.302 16.202 -13.616 1.00 53.12 C ATOM 1137 CE1 TYR A 74 -0.320 17.263 -15.269 1.00 2.04 C ATOM 1138 CE2 TYR A 74 -1.005 16.545 -13.094 1.00 44.42 C ATOM 1139 CZ TYR A 74 -0.077 17.059 -13.946 1.00 54.11 C ATOM 1140 OH TYR A 74 1.147 17.383 -13.453 1.00 35.30 O ATOM 0 H TYR A 74 -6.370 16.132 -15.436 1.00 0.35 H new ATOM 0 HA TYR A 74 -4.566 18.138 -15.575 1.00 13.35 H new ATOM 0 HB2 TYR A 74 -4.563 15.611 -14.706 1.00 41.13 H new ATOM 0 HB3 TYR A 74 -3.842 15.253 -16.262 1.00 41.13 H new ATOM 0 HD1 TYR A 74 -1.834 17.072 -16.838 1.00 25.24 H new ATOM 0 HD2 TYR A 74 -3.057 15.793 -12.961 1.00 53.12 H new ATOM 0 HE1 TYR A 74 0.443 17.673 -15.913 1.00 2.04 H new ATOM 0 HE2 TYR A 74 -0.774 16.398 -12.049 1.00 44.42 H new ATOM 0 HH TYR A 74 1.176 17.185 -12.494 1.00 35.30 H new ATOM 1150 N ILE A 75 -4.687 16.601 -18.461 1.00 53.34 N ATOM 1151 CA ILE A 75 -4.290 16.698 -19.855 1.00 45.04 C ATOM 1152 C ILE A 75 -5.539 16.792 -20.732 1.00 31.42 C ATOM 1153 O ILE A 75 -6.094 15.773 -21.141 1.00 1.32 O ATOM 1154 CB ILE A 75 -3.362 15.540 -20.228 1.00 12.32 C ATOM 1155 CG1 ILE A 75 -2.388 15.229 -19.089 1.00 74.51 C ATOM 1156 CG2 ILE A 75 -2.634 15.822 -21.543 1.00 35.11 C ATOM 1157 CD1 ILE A 75 -1.196 14.413 -19.596 1.00 44.21 C ATOM 0 H ILE A 75 -5.352 15.855 -18.258 1.00 53.34 H new ATOM 0 HA ILE A 75 -3.713 17.607 -20.025 1.00 45.04 H new ATOM 0 HB ILE A 75 -3.972 14.650 -20.382 1.00 12.32 H new ATOM 0 HG12 ILE A 75 -2.034 16.159 -18.644 1.00 74.51 H new ATOM 0 HG13 ILE A 75 -2.905 14.676 -18.304 1.00 74.51 H new ATOM 0 HG21 ILE A 75 -1.981 14.983 -21.785 1.00 35.11 H new ATOM 0 HG22 ILE A 75 -3.364 15.956 -22.342 1.00 35.11 H new ATOM 0 HG23 ILE A 75 -2.037 16.729 -21.441 1.00 35.11 H new ATOM 0 HD11 ILE A 75 -0.519 14.205 -18.768 1.00 44.21 H new ATOM 0 HD12 ILE A 75 -1.552 13.473 -20.019 1.00 44.21 H new ATOM 0 HD13 ILE A 75 -0.668 14.979 -20.363 1.00 44.21 H new ATOM 1169 N PRO A 76 -5.958 18.057 -21.002 1.00 61.33 N ATOM 1170 CA PRO A 76 -7.132 18.298 -21.824 1.00 71.30 C ATOM 1171 C PRO A 76 -6.828 18.045 -23.301 1.00 33.42 C ATOM 1172 O PRO A 76 -6.186 18.866 -23.956 1.00 1.33 O ATOM 1173 CB PRO A 76 -7.525 19.738 -21.536 1.00 24.03 C ATOM 1174 CG PRO A 76 -6.296 20.392 -20.926 1.00 10.34 C ATOM 1175 CD PRO A 76 -5.327 19.288 -20.535 1.00 71.25 C ATOM 0 HA PRO A 76 -7.954 17.621 -21.592 1.00 71.30 H new ATOM 0 HB2 PRO A 76 -7.827 20.250 -22.449 1.00 24.03 H new ATOM 0 HB3 PRO A 76 -8.372 19.782 -20.851 1.00 24.03 H new ATOM 0 HG2 PRO A 76 -5.832 21.073 -21.640 1.00 10.34 H new ATOM 0 HG3 PRO A 76 -6.572 20.985 -20.054 1.00 10.34 H new ATOM 0 HD2 PRO A 76 -4.352 19.434 -21.000 1.00 71.25 H new ATOM 0 HD3 PRO A 76 -5.166 19.266 -19.457 1.00 71.25 H new ATOM 1183 N GLY A 77 -7.305 16.907 -23.784 1.00 72.13 N ATOM 1184 CA GLY A 77 -7.092 16.535 -25.173 1.00 33.14 C ATOM 1185 C GLY A 77 -6.260 15.256 -25.278 1.00 34.12 C ATOM 1186 O GLY A 77 -5.824 14.882 -26.366 1.00 30.24 O ATOM 0 H GLY A 77 -7.838 16.230 -23.238 1.00 72.13 H new ATOM 0 HA2 GLY A 77 -8.053 16.389 -25.665 1.00 33.14 H new ATOM 0 HA3 GLY A 77 -6.586 17.346 -25.697 1.00 33.14 H new ATOM 1190 N THR A 78 -6.066 14.619 -24.132 1.00 72.54 N ATOM 1191 CA THR A 78 -5.295 13.389 -24.082 1.00 22.21 C ATOM 1192 C THR A 78 -6.048 12.257 -24.782 1.00 2.52 C ATOM 1193 O THR A 78 -7.241 12.379 -25.060 1.00 4.33 O ATOM 1194 CB THR A 78 -4.977 13.090 -22.615 1.00 14.31 C ATOM 1195 OG1 THR A 78 -4.462 11.762 -22.635 1.00 2.22 O ATOM 1196 CG2 THR A 78 -6.237 12.989 -21.752 1.00 64.23 C ATOM 0 H THR A 78 -6.429 14.932 -23.232 1.00 72.54 H new ATOM 0 HA THR A 78 -4.353 13.492 -24.621 1.00 22.21 H new ATOM 0 HB THR A 78 -4.327 13.870 -22.218 1.00 14.31 H new ATOM 0 HG1 THR A 78 -4.228 11.488 -21.724 1.00 2.22 H new ATOM 0 HG21 THR A 78 -5.956 12.776 -20.721 1.00 64.23 H new ATOM 0 HG22 THR A 78 -6.782 13.932 -21.792 1.00 64.23 H new ATOM 0 HG23 THR A 78 -6.872 12.187 -22.128 1.00 64.23 H new ATOM 1204 N LYS A 79 -5.323 11.182 -25.050 1.00 44.33 N ATOM 1205 CA LYS A 79 -5.908 10.029 -25.712 1.00 42.52 C ATOM 1206 C LYS A 79 -6.451 9.062 -24.659 1.00 41.14 C ATOM 1207 O LYS A 79 -7.522 8.482 -24.838 1.00 0.42 O ATOM 1208 CB LYS A 79 -4.899 9.392 -26.670 1.00 10.55 C ATOM 1209 CG LYS A 79 -4.236 10.453 -27.552 1.00 62.22 C ATOM 1210 CD LYS A 79 -4.625 10.267 -29.020 1.00 44.22 C ATOM 1211 CE LYS A 79 -3.494 10.713 -29.949 1.00 74.45 C ATOM 1212 NZ LYS A 79 -3.653 10.103 -31.288 1.00 73.00 N1+ ATOM 0 H LYS A 79 -4.334 11.085 -24.820 1.00 44.33 H new ATOM 0 HA LYS A 79 -6.752 10.333 -26.331 1.00 42.52 H new ATOM 0 HB2 LYS A 79 -4.137 8.859 -26.100 1.00 10.55 H new ATOM 0 HB3 LYS A 79 -5.402 8.655 -27.297 1.00 10.55 H new ATOM 0 HG2 LYS A 79 -4.533 11.447 -27.217 1.00 62.22 H new ATOM 0 HG3 LYS A 79 -3.153 10.392 -27.449 1.00 62.22 H new ATOM 0 HD2 LYS A 79 -4.862 9.220 -29.207 1.00 44.22 H new ATOM 0 HD3 LYS A 79 -5.526 10.841 -29.237 1.00 44.22 H new ATOM 0 HE2 LYS A 79 -3.493 11.800 -30.035 1.00 74.45 H new ATOM 0 HE3 LYS A 79 -2.532 10.427 -29.524 1.00 74.45 H new ATOM 0 HZ1 LYS A 79 -2.877 10.416 -31.906 1.00 73.00 H new ATOM 0 HZ2 LYS A 79 -3.631 9.067 -31.202 1.00 73.00 H new ATOM 0 HZ3 LYS A 79 -4.562 10.397 -31.698 1.00 73.00 H new ATOM 1225 N MET A 80 -5.688 8.916 -23.586 1.00 72.20 N ATOM 1226 CA MET A 80 -6.080 8.029 -22.504 1.00 50.41 C ATOM 1227 C MET A 80 -7.575 8.158 -22.204 1.00 72.11 C ATOM 1228 O MET A 80 -8.082 9.263 -22.017 1.00 14.12 O ATOM 1229 CB MET A 80 -5.275 8.369 -21.248 1.00 3.55 C ATOM 1230 CG MET A 80 -5.149 7.150 -20.332 1.00 30.15 C ATOM 1231 SD MET A 80 -3.708 7.317 -19.290 1.00 1.13 S ATOM 1232 CE MET A 80 -4.470 7.174 -17.683 1.00 62.42 C ATOM 0 H MET A 80 -4.800 9.397 -23.443 1.00 72.20 H new ATOM 0 HA MET A 80 -5.877 7.002 -22.809 1.00 50.41 H new ATOM 0 HB2 MET A 80 -4.283 8.720 -21.531 1.00 3.55 H new ATOM 0 HB3 MET A 80 -5.760 9.184 -20.710 1.00 3.55 H new ATOM 0 HG2 MET A 80 -6.044 7.053 -19.717 1.00 30.15 H new ATOM 0 HG3 MET A 80 -5.073 6.242 -20.930 1.00 30.15 H new ATOM 0 HE1 MET A 80 -4.009 7.885 -16.997 1.00 62.42 H new ATOM 0 HE2 MET A 80 -5.536 7.388 -17.765 1.00 62.42 H new ATOM 0 HE3 MET A 80 -4.331 6.162 -17.303 1.00 62.42 H new ATOM 1242 N ILE A 81 -8.239 7.012 -22.165 1.00 13.21 N ATOM 1243 CA ILE A 81 -9.665 6.982 -21.890 1.00 23.44 C ATOM 1244 C ILE A 81 -9.908 6.285 -20.550 1.00 45.24 C ATOM 1245 O ILE A 81 -10.514 5.216 -20.503 1.00 72.32 O ATOM 1246 CB ILE A 81 -10.423 6.350 -23.058 1.00 15.12 C ATOM 1247 CG1 ILE A 81 -10.115 7.075 -24.370 1.00 34.32 C ATOM 1248 CG2 ILE A 81 -11.925 6.296 -22.772 1.00 72.31 C ATOM 1249 CD1 ILE A 81 -10.387 8.575 -24.243 1.00 54.13 C ATOM 0 H ILE A 81 -7.815 6.097 -22.319 1.00 13.21 H new ATOM 0 HA ILE A 81 -10.056 7.995 -21.798 1.00 23.44 H new ATOM 0 HB ILE A 81 -10.079 5.322 -23.171 1.00 15.12 H new ATOM 0 HG12 ILE A 81 -9.072 6.912 -24.644 1.00 34.32 H new ATOM 0 HG13 ILE A 81 -10.724 6.658 -25.172 1.00 34.32 H new ATOM 0 HG21 ILE A 81 -12.440 5.842 -23.618 1.00 72.31 H new ATOM 0 HG22 ILE A 81 -12.104 5.701 -21.877 1.00 72.31 H new ATOM 0 HG23 ILE A 81 -12.302 7.307 -22.617 1.00 72.31 H new ATOM 0 HD11 ILE A 81 -10.160 9.067 -25.189 1.00 54.13 H new ATOM 0 HD12 ILE A 81 -11.436 8.735 -23.993 1.00 54.13 H new ATOM 0 HD13 ILE A 81 -9.759 8.993 -23.457 1.00 54.13 H new ATOM 1261 N PHE A 82 -9.422 6.918 -19.492 1.00 75.01 N ATOM 1262 CA PHE A 82 -9.578 6.373 -18.156 1.00 45.32 C ATOM 1263 C PHE A 82 -10.228 7.393 -17.219 1.00 15.33 C ATOM 1264 O PHE A 82 -9.737 8.512 -17.078 1.00 42.22 O ATOM 1265 CB PHE A 82 -8.175 6.045 -17.639 1.00 14.43 C ATOM 1266 CG PHE A 82 -8.137 4.900 -16.624 1.00 45.43 C ATOM 1267 CD1 PHE A 82 -8.362 3.623 -17.032 1.00 11.34 C ATOM 1268 CD2 PHE A 82 -7.877 5.161 -15.315 1.00 71.04 C ATOM 1269 CE1 PHE A 82 -8.328 2.561 -16.090 1.00 13.13 C ATOM 1270 CE2 PHE A 82 -7.841 4.099 -14.373 1.00 71.25 C ATOM 1271 CZ PHE A 82 -8.067 2.822 -14.780 1.00 22.42 C ATOM 0 H PHE A 82 -8.919 7.805 -19.534 1.00 75.01 H new ATOM 0 HA PHE A 82 -10.217 5.490 -18.188 1.00 45.32 H new ATOM 0 HB2 PHE A 82 -7.538 5.788 -18.485 1.00 14.43 H new ATOM 0 HB3 PHE A 82 -7.750 6.938 -17.180 1.00 14.43 H new ATOM 0 HD1 PHE A 82 -8.567 3.416 -18.072 1.00 11.34 H new ATOM 0 HD2 PHE A 82 -7.698 6.176 -14.992 1.00 71.04 H new ATOM 0 HE1 PHE A 82 -8.509 1.546 -16.413 1.00 13.13 H new ATOM 0 HE2 PHE A 82 -7.634 4.306 -13.333 1.00 71.25 H new ATOM 0 HZ PHE A 82 -8.039 2.014 -14.064 1.00 22.42 H new ATOM 1281 N VAL A 83 -11.321 6.970 -16.602 1.00 43.41 N ATOM 1282 CA VAL A 83 -12.043 7.834 -15.682 1.00 44.03 C ATOM 1283 C VAL A 83 -11.143 8.169 -14.491 1.00 4.21 C ATOM 1284 O VAL A 83 -11.292 9.223 -13.874 1.00 54.11 O ATOM 1285 CB VAL A 83 -13.360 7.173 -15.268 1.00 25.21 C ATOM 1286 CG1 VAL A 83 -14.252 6.920 -16.485 1.00 45.31 C ATOM 1287 CG2 VAL A 83 -13.103 5.877 -14.498 1.00 35.41 C ATOM 0 H VAL A 83 -11.725 6.041 -16.721 1.00 43.41 H new ATOM 0 HA VAL A 83 -12.304 8.774 -16.167 1.00 44.03 H new ATOM 0 HB VAL A 83 -13.886 7.859 -14.604 1.00 25.21 H new ATOM 0 HG11 VAL A 83 -15.181 6.450 -16.164 1.00 45.31 H new ATOM 0 HG12 VAL A 83 -14.475 7.867 -16.976 1.00 45.31 H new ATOM 0 HG13 VAL A 83 -13.736 6.262 -17.184 1.00 45.31 H new ATOM 0 HG21 VAL A 83 -14.055 5.427 -14.215 1.00 35.41 H new ATOM 0 HG22 VAL A 83 -12.547 5.183 -15.128 1.00 35.41 H new ATOM 0 HG23 VAL A 83 -12.524 6.096 -13.601 1.00 35.41 H new ATOM 1297 N GLY A 84 -10.228 7.254 -14.205 1.00 4.04 N ATOM 1298 CA GLY A 84 -9.304 7.440 -13.099 1.00 52.24 C ATOM 1299 C GLY A 84 -9.556 6.412 -11.995 1.00 70.24 C ATOM 1300 O GLY A 84 -10.047 5.316 -12.263 1.00 15.11 O ATOM 0 H GLY A 84 -10.107 6.382 -14.720 1.00 4.04 H new ATOM 0 HA2 GLY A 84 -8.279 7.349 -13.458 1.00 52.24 H new ATOM 0 HA3 GLY A 84 -9.413 8.447 -12.695 1.00 52.24 H new ATOM 1304 N ILE A 85 -9.210 6.803 -10.777 1.00 33.41 N ATOM 1305 CA ILE A 85 -9.393 5.928 -9.631 1.00 44.34 C ATOM 1306 C ILE A 85 -9.984 6.732 -8.471 1.00 34.42 C ATOM 1307 O ILE A 85 -9.381 7.701 -8.011 1.00 13.31 O ATOM 1308 CB ILE A 85 -8.083 5.218 -9.283 1.00 61.04 C ATOM 1309 CG1 ILE A 85 -7.779 4.107 -10.289 1.00 21.04 C ATOM 1310 CG2 ILE A 85 -8.106 4.700 -7.844 1.00 53.31 C ATOM 1311 CD1 ILE A 85 -6.321 3.653 -10.181 1.00 62.43 C ATOM 0 H ILE A 85 -8.804 7.713 -10.559 1.00 33.41 H new ATOM 0 HA ILE A 85 -10.104 5.136 -9.866 1.00 44.34 H new ATOM 0 HB ILE A 85 -7.272 5.943 -9.350 1.00 61.04 H new ATOM 0 HG12 ILE A 85 -8.441 3.260 -10.112 1.00 21.04 H new ATOM 0 HG13 ILE A 85 -7.979 4.462 -11.300 1.00 21.04 H new ATOM 0 HG21 ILE A 85 -7.163 4.200 -7.622 1.00 53.31 H new ATOM 0 HG22 ILE A 85 -8.243 5.536 -7.158 1.00 53.31 H new ATOM 0 HG23 ILE A 85 -8.928 3.994 -7.724 1.00 53.31 H new ATOM 0 HD11 ILE A 85 -6.131 2.863 -10.907 1.00 62.43 H new ATOM 0 HD12 ILE A 85 -5.661 4.497 -10.383 1.00 62.43 H new ATOM 0 HD13 ILE A 85 -6.131 3.276 -9.176 1.00 62.43 H new ATOM 1323 N LYS A 86 -11.156 6.301 -8.030 1.00 65.04 N ATOM 1324 CA LYS A 86 -11.835 6.969 -6.932 1.00 4.54 C ATOM 1325 C LYS A 86 -11.001 6.821 -5.658 1.00 23.40 C ATOM 1326 O LYS A 86 -10.336 7.766 -5.234 1.00 42.24 O ATOM 1327 CB LYS A 86 -13.268 6.449 -6.793 1.00 51.42 C ATOM 1328 CG LYS A 86 -14.019 6.548 -8.122 1.00 2.32 C ATOM 1329 CD LYS A 86 -15.098 5.470 -8.224 1.00 43.02 C ATOM 1330 CE LYS A 86 -15.475 5.206 -9.683 1.00 63.30 C ATOM 1331 NZ LYS A 86 -14.513 4.270 -10.306 1.00 13.13 N1+ ATOM 0 H LYS A 86 -11.653 5.497 -8.413 1.00 65.04 H new ATOM 0 HA LYS A 86 -11.926 8.037 -7.132 1.00 4.54 H new ATOM 0 HB2 LYS A 86 -13.251 5.412 -6.457 1.00 51.42 H new ATOM 0 HB3 LYS A 86 -13.794 7.023 -6.030 1.00 51.42 H new ATOM 0 HG2 LYS A 86 -14.475 7.534 -8.213 1.00 2.32 H new ATOM 0 HG3 LYS A 86 -13.317 6.444 -8.949 1.00 2.32 H new ATOM 0 HD2 LYS A 86 -14.740 4.548 -7.765 1.00 43.02 H new ATOM 0 HD3 LYS A 86 -15.982 5.782 -7.667 1.00 43.02 H new ATOM 0 HE2 LYS A 86 -16.481 4.791 -9.735 1.00 63.30 H new ATOM 0 HE3 LYS A 86 -15.489 6.145 -10.237 1.00 63.30 H new ATOM 0 HZ1 LYS A 86 -14.784 4.102 -11.296 1.00 13.13 H new ATOM 0 HZ2 LYS A 86 -13.558 4.681 -10.273 1.00 13.13 H new ATOM 0 HZ3 LYS A 86 -14.520 3.369 -9.787 1.00 13.13 H new ATOM 1344 N LYS A 87 -11.063 5.630 -5.082 1.00 14.22 N ATOM 1345 CA LYS A 87 -10.322 5.347 -3.865 1.00 74.32 C ATOM 1346 C LYS A 87 -8.874 5.812 -4.035 1.00 52.11 C ATOM 1347 O LYS A 87 -8.290 5.655 -5.107 1.00 61.33 O ATOM 1348 CB LYS A 87 -10.453 3.871 -3.488 1.00 24.34 C ATOM 1349 CG LYS A 87 -11.922 3.440 -3.459 1.00 3.32 C ATOM 1350 CD LYS A 87 -12.788 4.493 -2.763 1.00 34.24 C ATOM 1351 CE LYS A 87 -14.186 3.945 -2.472 1.00 64.11 C ATOM 1352 NZ LYS A 87 -14.793 3.392 -3.703 1.00 73.24 N1+ ATOM 0 H LYS A 87 -11.616 4.849 -5.436 1.00 14.22 H new ATOM 0 HA LYS A 87 -10.740 5.904 -3.027 1.00 74.32 H new ATOM 0 HB2 LYS A 87 -9.905 3.259 -4.204 1.00 24.34 H new ATOM 0 HB3 LYS A 87 -10.001 3.700 -2.511 1.00 24.34 H new ATOM 0 HG2 LYS A 87 -12.279 3.285 -4.477 1.00 3.32 H new ATOM 0 HG3 LYS A 87 -12.015 2.486 -2.940 1.00 3.32 H new ATOM 0 HD2 LYS A 87 -12.313 4.802 -1.832 1.00 34.24 H new ATOM 0 HD3 LYS A 87 -12.864 5.380 -3.392 1.00 34.24 H new ATOM 0 HE2 LYS A 87 -14.127 3.169 -1.708 1.00 64.11 H new ATOM 0 HE3 LYS A 87 -14.818 4.738 -2.073 1.00 64.11 H new ATOM 0 HZ1 LYS A 87 -15.817 3.276 -3.563 1.00 73.24 H new ATOM 0 HZ2 LYS A 87 -14.624 4.043 -4.496 1.00 73.24 H new ATOM 0 HZ3 LYS A 87 -14.365 2.468 -3.916 1.00 73.24 H new ATOM 1365 N LYS A 88 -8.336 6.374 -2.962 1.00 3.10 N ATOM 1366 CA LYS A 88 -6.968 6.862 -2.980 1.00 50.44 C ATOM 1367 C LYS A 88 -6.014 5.706 -2.671 1.00 62.35 C ATOM 1368 O LYS A 88 -4.940 5.608 -3.263 1.00 5.43 O ATOM 1369 CB LYS A 88 -6.813 8.057 -2.036 1.00 32.15 C ATOM 1370 CG LYS A 88 -5.338 8.412 -1.839 1.00 53.14 C ATOM 1371 CD LYS A 88 -4.740 7.640 -0.662 1.00 21.14 C ATOM 1372 CE LYS A 88 -5.010 8.360 0.661 1.00 11.43 C ATOM 1373 NZ LYS A 88 -4.219 9.609 0.741 1.00 32.04 N1+ ATOM 0 H LYS A 88 -8.823 6.502 -2.075 1.00 3.10 H new ATOM 0 HA LYS A 88 -6.709 7.233 -3.972 1.00 50.44 H new ATOM 0 HB2 LYS A 88 -7.347 8.917 -2.441 1.00 32.15 H new ATOM 0 HB3 LYS A 88 -7.267 7.825 -1.072 1.00 32.15 H new ATOM 0 HG2 LYS A 88 -4.781 8.185 -2.748 1.00 53.14 H new ATOM 0 HG3 LYS A 88 -5.239 9.483 -1.664 1.00 53.14 H new ATOM 0 HD2 LYS A 88 -5.165 6.637 -0.627 1.00 21.14 H new ATOM 0 HD3 LYS A 88 -3.665 7.526 -0.805 1.00 21.14 H new ATOM 0 HE2 LYS A 88 -6.072 8.589 0.747 1.00 11.43 H new ATOM 0 HE3 LYS A 88 -4.756 7.707 1.496 1.00 11.43 H new ATOM 0 HZ1 LYS A 88 -4.081 9.869 1.738 1.00 32.04 H new ATOM 0 HZ2 LYS A 88 -3.293 9.463 0.290 1.00 32.04 H new ATOM 0 HZ3 LYS A 88 -4.726 10.373 0.251 1.00 32.04 H new ATOM 1386 N GLU A 89 -6.442 4.861 -1.745 1.00 24.00 N ATOM 1387 CA GLU A 89 -5.639 3.716 -1.350 1.00 53.30 C ATOM 1388 C GLU A 89 -5.439 2.773 -2.539 1.00 33.12 C ATOM 1389 O GLU A 89 -4.579 1.894 -2.500 1.00 21.33 O ATOM 1390 CB GLU A 89 -6.276 2.981 -0.169 1.00 23.22 C ATOM 1391 CG GLU A 89 -6.369 3.891 1.057 1.00 22.23 C ATOM 1392 CD GLU A 89 -7.441 3.395 2.029 1.00 40.42 C ATOM 1393 OE1 GLU A 89 -7.780 2.202 2.021 1.00 70.43 O ATOM 1394 OE2 GLU A 89 -7.925 4.296 2.813 1.00 40.44 O1- ATOM 0 H GLU A 89 -7.334 4.946 -1.257 1.00 24.00 H new ATOM 0 HA GLU A 89 -4.662 4.076 -1.028 1.00 53.30 H new ATOM 0 HB2 GLU A 89 -7.272 2.635 -0.446 1.00 23.22 H new ATOM 0 HB3 GLU A 89 -5.687 2.097 0.074 1.00 23.22 H new ATOM 0 HG2 GLU A 89 -5.404 3.926 1.562 1.00 22.23 H new ATOM 0 HG3 GLU A 89 -6.601 4.908 0.742 1.00 22.23 H new ATOM 1402 N GLU A 90 -6.247 2.988 -3.566 1.00 72.24 N ATOM 1403 CA GLU A 90 -6.170 2.168 -4.764 1.00 0.45 C ATOM 1404 C GLU A 90 -4.971 2.587 -5.617 1.00 42.01 C ATOM 1405 O GLU A 90 -3.962 1.885 -5.665 1.00 73.10 O ATOM 1406 CB GLU A 90 -7.470 2.247 -5.567 1.00 22.42 C ATOM 1407 CG GLU A 90 -8.454 1.163 -5.124 1.00 43.23 C ATOM 1408 CD GLU A 90 -8.471 1.027 -3.601 1.00 20.55 C ATOM 1409 OE1 GLU A 90 -8.606 2.035 -2.890 1.00 5.43 O ATOM 1410 OE2 GLU A 90 -8.340 -0.178 -3.160 1.00 12.21 O1- ATOM 0 H GLU A 90 -6.959 3.718 -3.594 1.00 72.24 H new ATOM 0 HA GLU A 90 -6.031 1.130 -4.463 1.00 0.45 H new ATOM 0 HB2 GLU A 90 -7.923 3.230 -5.437 1.00 22.42 H new ATOM 0 HB3 GLU A 90 -7.253 2.134 -6.629 1.00 22.42 H new ATOM 0 HG2 GLU A 90 -9.454 1.407 -5.482 1.00 43.23 H new ATOM 0 HG3 GLU A 90 -8.178 0.210 -5.575 1.00 43.23 H new ATOM 1418 N ARG A 91 -5.121 3.730 -6.271 1.00 31.04 N ATOM 1419 CA ARG A 91 -4.064 4.251 -7.120 1.00 55.13 C ATOM 1420 C ARG A 91 -2.778 4.437 -6.313 1.00 34.33 C ATOM 1421 O ARG A 91 -1.679 4.323 -6.855 1.00 24.42 O ATOM 1422 CB ARG A 91 -4.467 5.591 -7.742 1.00 21.11 C ATOM 1423 CG ARG A 91 -4.458 6.705 -6.694 1.00 71.31 C ATOM 1424 CD ARG A 91 -4.939 8.027 -7.295 1.00 2.23 C ATOM 1425 NE ARG A 91 -5.290 8.976 -6.215 1.00 24.12 N ATOM 1426 CZ ARG A 91 -6.495 9.020 -5.606 1.00 72.21 C ATOM 1427 NH1 ARG A 91 -7.476 8.166 -5.968 1.00 52.41 N ATOM 1428 NH2 ARG A 91 -6.699 9.910 -4.653 1.00 72.51 N1+ ATOM 0 H ARG A 91 -5.959 4.310 -6.230 1.00 31.04 H new ATOM 0 HA ARG A 91 -3.894 3.529 -7.919 1.00 55.13 H new ATOM 0 HB2 ARG A 91 -3.781 5.842 -8.551 1.00 21.11 H new ATOM 0 HB3 ARG A 91 -5.461 5.508 -8.182 1.00 21.11 H new ATOM 0 HG2 ARG A 91 -5.099 6.427 -5.857 1.00 71.31 H new ATOM 0 HG3 ARG A 91 -3.450 6.827 -6.297 1.00 71.31 H new ATOM 0 HD2 ARG A 91 -4.160 8.454 -7.926 1.00 2.23 H new ATOM 0 HD3 ARG A 91 -5.806 7.852 -7.933 1.00 2.23 H new ATOM 0 HE ARG A 91 -4.577 9.639 -5.911 1.00 24.12 H new ATOM 0 HH11 ARG A 91 -7.310 7.482 -6.706 1.00 52.41 H new ATOM 0 HH12 ARG A 91 -8.383 8.205 -5.504 1.00 52.41 H new ATOM 0 HH21 ARG A 91 -5.952 10.552 -4.386 1.00 72.51 H new ATOM 0 HH22 ARG A 91 -7.603 9.956 -4.183 1.00 72.51 H new ATOM 1441 N ALA A 92 -2.957 4.720 -5.031 1.00 44.03 N ATOM 1442 CA ALA A 92 -1.824 4.923 -4.144 1.00 4.24 C ATOM 1443 C ALA A 92 -0.947 3.669 -4.149 1.00 44.10 C ATOM 1444 O ALA A 92 0.278 3.764 -4.128 1.00 25.42 O ATOM 1445 CB ALA A 92 -2.329 5.276 -2.744 1.00 24.15 C ATOM 0 H ALA A 92 -3.870 4.814 -4.585 1.00 44.03 H new ATOM 0 HA ALA A 92 -1.211 5.755 -4.489 1.00 4.24 H new ATOM 0 HB1 ALA A 92 -1.479 5.428 -2.078 1.00 24.15 H new ATOM 0 HB2 ALA A 92 -2.922 6.190 -2.791 1.00 24.15 H new ATOM 0 HB3 ALA A 92 -2.946 4.462 -2.364 1.00 24.15 H new ATOM 1451 N ASP A 93 -1.611 2.523 -4.175 1.00 13.32 N ATOM 1452 CA ASP A 93 -0.907 1.251 -4.182 1.00 41.32 C ATOM 1453 C ASP A 93 -0.324 1.004 -5.576 1.00 30.23 C ATOM 1454 O ASP A 93 0.822 0.577 -5.706 1.00 20.11 O ATOM 1455 CB ASP A 93 -1.855 0.095 -3.855 1.00 51.12 C ATOM 1456 CG ASP A 93 -1.168 -1.196 -3.407 1.00 14.42 C ATOM 1457 OD1 ASP A 93 -1.789 -2.064 -2.775 1.00 11.21 O ATOM 1458 OD2 ASP A 93 0.075 -1.295 -3.736 1.00 61.21 O1- ATOM 0 H ASP A 93 -2.628 2.448 -4.191 1.00 13.32 H new ATOM 0 HA ASP A 93 -0.120 1.296 -3.429 1.00 41.32 H new ATOM 0 HB2 ASP A 93 -2.539 0.417 -3.069 1.00 51.12 H new ATOM 0 HB3 ASP A 93 -2.460 -0.120 -4.736 1.00 51.12 H new ATOM 1464 N LEU A 94 -1.140 1.284 -6.582 1.00 1.20 N ATOM 1465 CA LEU A 94 -0.720 1.096 -7.960 1.00 74.05 C ATOM 1466 C LEU A 94 0.635 1.774 -8.172 1.00 42.32 C ATOM 1467 O LEU A 94 1.520 1.212 -8.816 1.00 60.31 O ATOM 1468 CB LEU A 94 -1.807 1.582 -8.921 1.00 54.11 C ATOM 1469 CG LEU A 94 -1.512 1.402 -10.412 1.00 72.20 C ATOM 1470 CD1 LEU A 94 -1.377 -0.079 -10.770 1.00 35.13 C ATOM 1471 CD2 LEU A 94 -2.566 2.105 -11.269 1.00 30.44 C ATOM 0 H LEU A 94 -2.089 1.639 -6.470 1.00 1.20 H new ATOM 0 HA LEU A 94 -0.585 0.036 -8.177 1.00 74.05 H new ATOM 0 HB2 LEU A 94 -2.733 1.056 -8.688 1.00 54.11 H new ATOM 0 HB3 LEU A 94 -1.986 2.640 -8.731 1.00 54.11 H new ATOM 0 HG LEU A 94 -0.554 1.874 -10.629 1.00 72.20 H new ATOM 0 HD11 LEU A 94 -1.168 -0.178 -11.835 1.00 35.13 H new ATOM 0 HD12 LEU A 94 -0.561 -0.519 -10.197 1.00 35.13 H new ATOM 0 HD13 LEU A 94 -2.306 -0.597 -10.533 1.00 35.13 H new ATOM 0 HD21 LEU A 94 -2.332 1.961 -12.324 1.00 30.44 H new ATOM 0 HD22 LEU A 94 -3.549 1.685 -11.055 1.00 30.44 H new ATOM 0 HD23 LEU A 94 -2.569 3.171 -11.040 1.00 30.44 H new ATOM 1483 N ILE A 95 0.757 2.970 -7.616 1.00 14.42 N ATOM 1484 CA ILE A 95 1.989 3.729 -7.736 1.00 64.13 C ATOM 1485 C ILE A 95 3.140 2.926 -7.125 1.00 4.02 C ATOM 1486 O ILE A 95 4.253 2.935 -7.647 1.00 25.25 O ATOM 1487 CB ILE A 95 1.821 5.123 -7.127 1.00 34.32 C ATOM 1488 CG1 ILE A 95 0.860 5.974 -7.961 1.00 4.41 C ATOM 1489 CG2 ILE A 95 3.177 5.807 -6.939 1.00 33.12 C ATOM 1490 CD1 ILE A 95 0.569 7.308 -7.270 1.00 42.01 C ATOM 0 H ILE A 95 0.022 3.432 -7.081 1.00 14.42 H new ATOM 0 HA ILE A 95 2.235 3.892 -8.785 1.00 64.13 H new ATOM 0 HB ILE A 95 1.377 5.012 -6.138 1.00 34.32 H new ATOM 0 HG12 ILE A 95 1.291 6.157 -8.945 1.00 4.41 H new ATOM 0 HG13 ILE A 95 -0.072 5.430 -8.117 1.00 4.41 H new ATOM 0 HG21 ILE A 95 3.029 6.796 -6.505 1.00 33.12 H new ATOM 0 HG22 ILE A 95 3.798 5.208 -6.273 1.00 33.12 H new ATOM 0 HG23 ILE A 95 3.672 5.906 -7.905 1.00 33.12 H new ATOM 0 HD11 ILE A 95 -0.116 7.894 -7.883 1.00 42.01 H new ATOM 0 HD12 ILE A 95 0.116 7.122 -6.296 1.00 42.01 H new ATOM 0 HD13 ILE A 95 1.500 7.860 -7.138 1.00 42.01 H new ATOM 1502 N ALA A 96 2.830 2.251 -6.028 1.00 33.14 N ATOM 1503 CA ALA A 96 3.824 1.445 -5.340 1.00 12.15 C ATOM 1504 C ALA A 96 4.409 0.422 -6.317 1.00 53.11 C ATOM 1505 O ALA A 96 5.604 0.451 -6.608 1.00 25.00 O ATOM 1506 CB ALA A 96 3.187 0.783 -4.117 1.00 44.52 C ATOM 0 H ALA A 96 1.905 2.246 -5.599 1.00 33.14 H new ATOM 0 HA ALA A 96 4.644 2.069 -4.984 1.00 12.15 H new ATOM 0 HB1 ALA A 96 3.933 0.178 -3.601 1.00 44.52 H new ATOM 0 HB2 ALA A 96 2.812 1.552 -3.441 1.00 44.52 H new ATOM 0 HB3 ALA A 96 2.362 0.147 -4.436 1.00 44.52 H new ATOM 1512 N TYR A 97 3.541 -0.456 -6.796 1.00 1.44 N ATOM 1513 CA TYR A 97 3.956 -1.485 -7.734 1.00 62.31 C ATOM 1514 C TYR A 97 4.933 -0.921 -8.769 1.00 21.40 C ATOM 1515 O TYR A 97 5.960 -1.533 -9.056 1.00 22.13 O ATOM 1516 CB TYR A 97 2.683 -1.944 -8.448 1.00 54.22 C ATOM 1517 CG TYR A 97 2.931 -2.562 -9.824 1.00 33.23 C ATOM 1518 CD1 TYR A 97 3.547 -3.794 -9.927 1.00 70.44 C ATOM 1519 CD2 TYR A 97 2.539 -1.890 -10.965 1.00 73.34 C ATOM 1520 CE1 TYR A 97 3.780 -4.376 -11.223 1.00 61.32 C ATOM 1521 CE2 TYR A 97 2.772 -2.473 -12.261 1.00 72.22 C ATOM 1522 CZ TYR A 97 3.381 -3.687 -12.326 1.00 14.22 C ATOM 1523 OH TYR A 97 3.601 -4.238 -13.550 1.00 3.20 O ATOM 0 H TYR A 97 2.551 -0.476 -6.552 1.00 1.44 H new ATOM 0 HA TYR A 97 4.459 -2.300 -7.213 1.00 62.31 H new ATOM 0 HB2 TYR A 97 2.169 -2.673 -7.821 1.00 54.22 H new ATOM 0 HB3 TYR A 97 2.013 -1.091 -8.559 1.00 54.22 H new ATOM 0 HD1 TYR A 97 3.854 -4.321 -9.035 1.00 70.44 H new ATOM 0 HD2 TYR A 97 2.057 -0.927 -10.885 1.00 73.34 H new ATOM 0 HE1 TYR A 97 4.261 -5.338 -11.317 1.00 61.32 H new ATOM 0 HE2 TYR A 97 2.470 -1.958 -13.161 1.00 72.22 H new ATOM 0 HH TYR A 97 3.263 -3.636 -14.245 1.00 3.20 H new ATOM 1533 N LEU A 98 4.576 0.239 -9.301 1.00 55.30 N ATOM 1534 CA LEU A 98 5.407 0.892 -10.298 1.00 10.43 C ATOM 1535 C LEU A 98 6.805 1.122 -9.719 1.00 50.54 C ATOM 1536 O LEU A 98 7.801 0.718 -10.316 1.00 71.33 O ATOM 1537 CB LEU A 98 4.733 2.169 -10.805 1.00 25.13 C ATOM 1538 CG LEU A 98 3.366 1.988 -11.469 1.00 4.11 C ATOM 1539 CD1 LEU A 98 2.664 3.334 -11.653 1.00 43.25 C ATOM 1540 CD2 LEU A 98 3.495 1.224 -12.789 1.00 11.03 C ATOM 0 H LEU A 98 3.723 0.743 -9.060 1.00 55.30 H new ATOM 0 HA LEU A 98 5.525 0.253 -11.173 1.00 10.43 H new ATOM 0 HB2 LEU A 98 4.619 2.854 -9.965 1.00 25.13 H new ATOM 0 HB3 LEU A 98 5.401 2.650 -11.520 1.00 25.13 H new ATOM 0 HG LEU A 98 2.742 1.387 -10.808 1.00 4.11 H new ATOM 0 HD11 LEU A 98 1.695 3.177 -12.127 1.00 43.25 H new ATOM 0 HD12 LEU A 98 2.520 3.805 -10.681 1.00 43.25 H new ATOM 0 HD13 LEU A 98 3.275 3.980 -12.283 1.00 43.25 H new ATOM 0 HD21 LEU A 98 2.510 1.109 -13.241 1.00 11.03 H new ATOM 0 HD22 LEU A 98 4.143 1.778 -13.468 1.00 11.03 H new ATOM 0 HD23 LEU A 98 3.924 0.240 -12.600 1.00 11.03 H new ATOM 1552 N LYS A 99 6.832 1.770 -8.564 1.00 73.11 N ATOM 1553 CA LYS A 99 8.090 2.059 -7.899 1.00 1.31 C ATOM 1554 C LYS A 99 8.889 0.763 -7.742 1.00 71.25 C ATOM 1555 O LYS A 99 10.107 0.797 -7.575 1.00 53.02 O ATOM 1556 CB LYS A 99 7.842 2.791 -6.579 1.00 31.34 C ATOM 1557 CG LYS A 99 7.886 4.308 -6.776 1.00 15.41 C ATOM 1558 CD LYS A 99 6.542 4.833 -7.289 1.00 1.10 C ATOM 1559 CE LYS A 99 6.479 6.359 -7.198 1.00 13.50 C ATOM 1560 NZ LYS A 99 6.989 6.821 -5.887 1.00 12.44 N1+ ATOM 0 H LYS A 99 6.003 2.103 -8.072 1.00 73.11 H new ATOM 0 HA LYS A 99 8.694 2.735 -8.504 1.00 1.31 H new ATOM 0 HB2 LYS A 99 6.872 2.501 -6.175 1.00 31.34 H new ATOM 0 HB3 LYS A 99 8.593 2.494 -5.848 1.00 31.34 H new ATOM 0 HG2 LYS A 99 8.134 4.794 -5.832 1.00 15.41 H new ATOM 0 HG3 LYS A 99 8.675 4.564 -7.484 1.00 15.41 H new ATOM 0 HD2 LYS A 99 6.396 4.520 -8.323 1.00 1.10 H new ATOM 0 HD3 LYS A 99 5.731 4.397 -6.707 1.00 1.10 H new ATOM 0 HE2 LYS A 99 7.068 6.802 -8.001 1.00 13.50 H new ATOM 0 HE3 LYS A 99 5.451 6.695 -7.334 1.00 13.50 H new ATOM 0 HZ1 LYS A 99 6.846 7.847 -5.801 1.00 12.44 H new ATOM 0 HZ2 LYS A 99 6.476 6.335 -5.124 1.00 12.44 H new ATOM 0 HZ3 LYS A 99 8.004 6.606 -5.814 1.00 12.44 H new ATOM 1573 N LYS A 100 8.170 -0.348 -7.801 1.00 63.15 N ATOM 1574 CA LYS A 100 8.796 -1.653 -7.667 1.00 72.41 C ATOM 1575 C LYS A 100 9.161 -2.183 -9.055 1.00 64.54 C ATOM 1576 O LYS A 100 10.082 -2.985 -9.194 1.00 30.00 O ATOM 1577 CB LYS A 100 7.899 -2.597 -6.864 1.00 4.54 C ATOM 1578 CG LYS A 100 8.565 -3.964 -6.684 1.00 42.24 C ATOM 1579 CD LYS A 100 9.800 -3.858 -5.788 1.00 15.32 C ATOM 1580 CE LYS A 100 10.141 -5.213 -5.164 1.00 64.41 C ATOM 1581 NZ LYS A 100 11.342 -5.100 -4.306 1.00 13.11 N1+ ATOM 0 H LYS A 100 7.160 -0.372 -7.940 1.00 63.15 H new ATOM 0 HA LYS A 100 9.724 -1.575 -7.101 1.00 72.41 H new ATOM 0 HB2 LYS A 100 7.687 -2.160 -5.888 1.00 4.54 H new ATOM 0 HB3 LYS A 100 6.943 -2.718 -7.374 1.00 4.54 H new ATOM 0 HG2 LYS A 100 7.853 -4.665 -6.247 1.00 42.24 H new ATOM 0 HG3 LYS A 100 8.850 -4.364 -7.657 1.00 42.24 H new ATOM 0 HD2 LYS A 100 10.648 -3.498 -6.371 1.00 15.32 H new ATOM 0 HD3 LYS A 100 9.621 -3.125 -5.001 1.00 15.32 H new ATOM 0 HE2 LYS A 100 9.297 -5.571 -4.574 1.00 64.41 H new ATOM 0 HE3 LYS A 100 10.316 -5.948 -5.949 1.00 64.41 H new ATOM 0 HZ1 LYS A 100 11.560 -6.028 -3.890 1.00 13.11 H new ATOM 0 HZ2 LYS A 100 12.149 -4.779 -4.879 1.00 13.11 H new ATOM 0 HZ3 LYS A 100 11.162 -4.414 -3.546 1.00 13.11 H new ATOM 1594 N ALA A 101 8.418 -1.713 -10.047 1.00 71.41 N ATOM 1595 CA ALA A 101 8.652 -2.130 -11.419 1.00 62.32 C ATOM 1596 C ALA A 101 9.677 -1.194 -12.065 1.00 15.30 C ATOM 1597 O ALA A 101 10.846 -1.550 -12.205 1.00 73.54 O ATOM 1598 CB ALA A 101 7.324 -2.153 -12.180 1.00 63.13 C ATOM 0 H ALA A 101 7.654 -1.048 -9.928 1.00 71.41 H new ATOM 0 HA ALA A 101 9.062 -3.139 -11.448 1.00 62.32 H new ATOM 0 HB1 ALA A 101 7.500 -2.466 -13.209 1.00 63.13 H new ATOM 0 HB2 ALA A 101 6.641 -2.854 -11.699 1.00 63.13 H new ATOM 0 HB3 ALA A 101 6.884 -1.156 -12.174 1.00 63.13 H new ATOM 1604 N THR A 102 9.201 -0.015 -12.439 1.00 2.02 N ATOM 1605 CA THR A 102 10.061 0.975 -13.065 1.00 71.34 C ATOM 1606 C THR A 102 11.316 1.202 -12.220 1.00 12.43 C ATOM 1607 O THR A 102 12.372 1.548 -12.749 1.00 41.24 O ATOM 1608 CB THR A 102 9.238 2.245 -13.285 1.00 15.35 C ATOM 1609 OG1 THR A 102 10.215 3.252 -13.533 1.00 54.52 O ATOM 1610 CG2 THR A 102 8.534 2.714 -12.010 1.00 62.44 C ATOM 0 H THR A 102 8.231 0.277 -12.320 1.00 2.02 H new ATOM 0 HA THR A 102 10.419 0.631 -14.035 1.00 71.34 H new ATOM 0 HB THR A 102 8.497 2.068 -14.064 1.00 15.35 H new ATOM 0 HG1 THR A 102 9.768 4.110 -13.688 1.00 54.52 H new ATOM 0 HG21 THR A 102 7.964 3.619 -12.221 1.00 62.44 H new ATOM 0 HG22 THR A 102 7.859 1.933 -11.659 1.00 62.44 H new ATOM 0 HG23 THR A 102 9.277 2.925 -11.241 1.00 62.44 H new ATOM 1618 N ASN A 103 11.160 0.999 -10.919 1.00 4.21 N ATOM 1619 CA ASN A 103 12.266 1.178 -9.995 1.00 22.31 C ATOM 1620 C ASN A 103 12.439 -0.093 -9.160 1.00 72.30 C ATOM 1621 O ASN A 103 12.326 -0.056 -7.937 1.00 23.40 O ATOM 1622 CB ASN A 103 12.003 2.341 -9.037 1.00 0.14 C ATOM 1623 CG ASN A 103 12.536 3.655 -9.610 1.00 54.24 C ATOM 1624 OD1 ASN A 103 13.471 3.687 -10.394 1.00 3.22 O ATOM 1625 ND2 ASN A 103 11.892 4.735 -9.176 1.00 60.01 N ATOM 0 H ASN A 103 10.283 0.712 -10.484 1.00 4.21 H new ATOM 0 HA ASN A 103 13.161 1.389 -10.580 1.00 22.31 H new ATOM 0 HB2 ASN A 103 10.933 2.429 -8.851 1.00 0.14 H new ATOM 0 HB3 ASN A 103 12.478 2.140 -8.077 1.00 0.14 H new ATOM 0 HD21 ASN A 103 12.173 5.661 -9.500 1.00 60.01 H new ATOM 0 HD22 ASN A 103 11.117 4.637 -8.520 1.00 60.01 H new ATOM 1632 N GLU A 104 12.709 -1.187 -9.857 1.00 33.11 N ATOM 1633 CA GLU A 104 12.898 -2.468 -9.195 1.00 43.24 C ATOM 1634 C GLU A 104 14.263 -2.511 -8.504 1.00 2.51 C ATOM 1635 O GLU A 104 14.497 -3.354 -7.637 1.00 22.34 O ATOM 1636 CB GLU A 104 12.749 -3.625 -10.184 1.00 32.13 C ATOM 1637 CG GLU A 104 13.629 -3.408 -11.418 1.00 20.34 C ATOM 1638 CD GLU A 104 13.996 -4.744 -12.069 1.00 3.30 C ATOM 1639 OE1 GLU A 104 13.714 -4.951 -13.258 1.00 3.03 O ATOM 1640 OE2 GLU A 104 14.596 -5.582 -11.293 1.00 64.02 O1- ATOM 0 H GLU A 104 12.801 -1.213 -10.872 1.00 33.11 H new ATOM 0 HA GLU A 104 12.123 -2.580 -8.437 1.00 43.24 H new ATOM 0 HB2 GLU A 104 13.023 -4.561 -9.698 1.00 32.13 H new ATOM 0 HB3 GLU A 104 11.706 -3.716 -10.488 1.00 32.13 H new ATOM 0 HG2 GLU A 104 13.104 -2.780 -12.138 1.00 20.34 H new ATOM 0 HG3 GLU A 104 14.537 -2.876 -11.133 1.00 20.34 H new