USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 662 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 58 LYS NZ :NH3+ 164:sc= 1.3 (180deg=1.17) USER MOD Set 1.2: A 62 SER OG : rot 77:sc= 0.877 USER MOD Set 2.1: A 48 CYS SG : rot -86:sc= 0.993 USER MOD Set 2.2: A 54 SER OG : rot -163:sc= 1.85 USER MOD Set 2.3: A 71 ASN : amide:sc= 0.336 K(o=3.2,f=-3.1!) USER MOD Set 3.1: A 49 ASN : amide:sc= 0 X(o=1.2,f=0.96) USER MOD Set 3.2: A 76 LYS NZ :NH3+ -165:sc= 1.16 (180deg=0.976) USER MOD Set 4.1: A 41 ASN : amide:sc= 0.781 X(o=1.6,f=1.4) USER MOD Set 4.2: A 67 THR OG1 : rot -152:sc= 0.805 USER MOD Single : A 1 ALA N :NH3+ 177:sc= 1.17 (180deg=1.16) USER MOD Single : A 3 HIS : no HE2:sc= 1.2 K(o=1.2,f=-3.6!) USER MOD Single : A 12 GLN : amide:sc= -0.2 K(o=-0.2,f=-1.5) USER MOD Single : A 13 TYR OH : rot 130:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0.806 K(o=0.81,f=-0.015) USER MOD Single : A 15 GLN : amide:sc= 1.21 K(o=1.2,f=-0.0018) USER MOD Single : A 17 HIS : no HE2:sc= 0.629 K(o=0.63,f=-2.5!) USER MOD Single : A 19 GLN : amide:sc= 0.627 K(o=0.63,f=0) USER MOD Single : A 23 ASN : amide:sc= 1.68 K(o=1.7,f=-0.8) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 43:sc= 1.13 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 94:sc= 1.19 USER MOD Single : A 45 LYS NZ :NH3+ 171:sc= 1.32 (180deg=1.29) USER MOD Single : A 47 TYR OH : rot -54:sc= 0.693 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 MET CE :methyl -166:sc= -0.0286 (180deg=-0.359) USER MOD Single : A 66 TYR OH : rot -171:sc= 1.02 USER MOD Single : A 68 HIS : no HE2:sc= 1.07 K(o=1.1,f=-3.3!) USER MOD Single : A 80 MET CE :methyl -172:sc= 0 (180deg=-0.046) USER MOD Single : A 82 LYS NZ :NH3+ -177:sc= 1.38 (180deg=1.36) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -1.154 0.802 -1.159 1.00 0.00 N ATOM 2 CA ALA A 1 -0.201 0.456 -2.232 1.00 0.00 C ATOM 3 C ALA A 1 0.296 1.743 -2.907 1.00 0.00 C ATOM 4 O ALA A 1 0.167 2.840 -2.352 1.00 0.00 O ATOM 5 CB ALA A 1 -0.824 -0.548 -3.224 1.00 0.00 C ATOM 0 H1 ALA A 1 -1.530 -0.070 -0.735 1.00 0.00 H new ATOM 0 H2 ALA A 1 -0.667 1.360 -0.429 1.00 0.00 H new ATOM 0 H3 ALA A 1 -1.937 1.359 -1.556 1.00 0.00 H new ATOM 0 HA ALA A 1 0.667 -0.048 -1.807 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -0.101 -0.785 -4.004 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -1.099 -1.460 -2.694 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -1.713 -0.109 -3.676 1.00 0.00 H new ATOM 13 N GLU A 2 0.915 1.620 -4.084 1.00 0.00 N ATOM 14 CA GLU A 2 1.425 2.734 -4.871 1.00 0.00 C ATOM 15 C GLU A 2 1.156 2.440 -6.346 1.00 0.00 C ATOM 16 O GLU A 2 1.258 1.287 -6.778 1.00 0.00 O ATOM 17 CB GLU A 2 2.942 2.903 -4.655 1.00 0.00 C ATOM 18 CG GLU A 2 3.355 3.279 -3.224 1.00 0.00 C ATOM 19 CD GLU A 2 4.885 3.305 -3.078 1.00 0.00 C ATOM 20 OE1 GLU A 2 5.506 4.348 -3.379 1.00 0.00 O ATOM 21 OE2 GLU A 2 5.477 2.291 -2.639 1.00 0.00 O ATOM 0 H GLU A 2 1.077 0.714 -4.524 1.00 0.00 H new ATOM 0 HA GLU A 2 0.928 3.654 -4.562 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.439 1.972 -4.928 1.00 0.00 H new ATOM 0 HB3 GLU A 2 3.308 3.671 -5.337 1.00 0.00 H new ATOM 0 HG2 GLU A 2 2.946 4.257 -2.969 1.00 0.00 H new ATOM 0 HG3 GLU A 2 2.932 2.563 -2.520 1.00 0.00 H new ATOM 28 N HIS A 3 0.880 3.491 -7.120 1.00 0.00 N ATOM 29 CA HIS A 3 0.741 3.451 -8.566 1.00 0.00 C ATOM 30 C HIS A 3 1.510 4.646 -9.127 1.00 0.00 C ATOM 31 O HIS A 3 1.096 5.797 -8.956 1.00 0.00 O ATOM 32 CB HIS A 3 -0.742 3.503 -8.969 1.00 0.00 C ATOM 33 CG HIS A 3 -1.499 2.220 -8.718 1.00 0.00 C ATOM 34 ND1 HIS A 3 -2.103 1.824 -7.544 1.00 0.00 N ATOM 35 CD2 HIS A 3 -1.727 1.228 -9.636 1.00 0.00 C ATOM 36 CE1 HIS A 3 -2.670 0.626 -7.749 1.00 0.00 C ATOM 37 NE2 HIS A 3 -2.470 0.214 -9.016 1.00 0.00 N ATOM 0 H HIS A 3 0.743 4.426 -6.737 1.00 0.00 H new ATOM 0 HA HIS A 3 1.144 2.522 -8.969 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -1.227 4.311 -8.421 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -0.810 3.750 -10.028 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -2.116 2.351 -6.671 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -1.391 1.228 -10.662 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -3.213 0.068 -7.001 1.00 0.00 H new ATOM 45 N TRP A 4 2.657 4.387 -9.755 1.00 0.00 N ATOM 46 CA TRP A 4 3.337 5.410 -10.537 1.00 0.00 C ATOM 47 C TRP A 4 2.528 5.594 -11.825 1.00 0.00 C ATOM 48 O TRP A 4 1.939 4.626 -12.312 1.00 0.00 O ATOM 49 CB TRP A 4 4.780 4.987 -10.841 1.00 0.00 C ATOM 50 CG TRP A 4 5.643 4.686 -9.651 1.00 0.00 C ATOM 51 CD1 TRP A 4 5.747 3.483 -9.044 1.00 0.00 C ATOM 52 CD2 TRP A 4 6.547 5.573 -8.921 1.00 0.00 C ATOM 53 NE1 TRP A 4 6.631 3.563 -7.989 1.00 0.00 N ATOM 54 CE2 TRP A 4 7.161 4.829 -7.867 1.00 0.00 C ATOM 55 CE3 TRP A 4 6.916 6.930 -9.044 1.00 0.00 C ATOM 56 CZ2 TRP A 4 8.088 5.402 -6.983 1.00 0.00 C ATOM 57 CZ3 TRP A 4 7.847 7.514 -8.162 1.00 0.00 C ATOM 58 CH2 TRP A 4 8.432 6.755 -7.133 1.00 0.00 C ATOM 0 H TRP A 4 3.129 3.483 -9.736 1.00 0.00 H new ATOM 0 HA TRP A 4 3.397 6.350 -9.988 1.00 0.00 H new ATOM 0 HB2 TRP A 4 4.752 4.102 -11.477 1.00 0.00 H new ATOM 0 HB3 TRP A 4 5.256 5.780 -11.418 1.00 0.00 H new ATOM 0 HD1 TRP A 4 5.216 2.591 -9.341 1.00 0.00 H new ATOM 0 HE1 TRP A 4 6.864 2.782 -7.375 1.00 0.00 H new ATOM 0 HE3 TRP A 4 6.477 7.531 -9.827 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 8.532 4.809 -6.197 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 8.114 8.554 -8.277 1.00 0.00 H new ATOM 0 HH2 TRP A 4 9.143 7.211 -6.460 1.00 0.00 H new ATOM 69 N ILE A 5 2.504 6.792 -12.410 1.00 0.00 N ATOM 70 CA ILE A 5 1.733 7.054 -13.624 1.00 0.00 C ATOM 71 C ILE A 5 2.595 7.918 -14.544 1.00 0.00 C ATOM 72 O ILE A 5 3.144 8.935 -14.118 1.00 0.00 O ATOM 73 CB ILE A 5 0.381 7.748 -13.325 1.00 0.00 C ATOM 74 CG1 ILE A 5 -0.408 7.282 -12.078 1.00 0.00 C ATOM 75 CG2 ILE A 5 -0.520 7.644 -14.567 1.00 0.00 C ATOM 76 CD1 ILE A 5 -1.143 5.940 -12.190 1.00 0.00 C ATOM 0 H ILE A 5 3.015 7.602 -12.058 1.00 0.00 H new ATOM 0 HA ILE A 5 1.485 6.107 -14.103 1.00 0.00 H new ATOM 0 HB ILE A 5 0.661 8.773 -13.081 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.286 7.221 -11.239 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.140 8.051 -11.831 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.475 8.130 -14.366 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.034 8.134 -15.411 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.691 6.594 -14.806 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.656 5.727 -11.252 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.872 5.991 -12.999 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.424 5.148 -12.398 1.00 0.00 H new ATOM 88 N ASP A 6 2.683 7.519 -15.809 1.00 0.00 N ATOM 89 CA ASP A 6 3.392 8.225 -16.865 1.00 0.00 C ATOM 90 C ASP A 6 2.351 9.108 -17.559 1.00 0.00 C ATOM 91 O ASP A 6 1.584 8.635 -18.397 1.00 0.00 O ATOM 92 CB ASP A 6 4.024 7.180 -17.791 1.00 0.00 C ATOM 93 CG ASP A 6 4.788 7.822 -18.941 1.00 0.00 C ATOM 94 OD1 ASP A 6 4.180 8.118 -19.990 1.00 0.00 O ATOM 95 OD2 ASP A 6 6.014 8.025 -18.818 1.00 0.00 O ATOM 0 H ASP A 6 2.243 6.659 -16.137 1.00 0.00 H new ATOM 0 HA ASP A 6 4.203 8.860 -16.509 1.00 0.00 H new ATOM 0 HB2 ASP A 6 4.700 6.548 -17.215 1.00 0.00 H new ATOM 0 HB3 ASP A 6 3.244 6.532 -18.191 1.00 0.00 H new ATOM 100 N VAL A 7 2.239 10.372 -17.148 1.00 0.00 N ATOM 101 CA VAL A 7 1.105 11.238 -17.522 1.00 0.00 C ATOM 102 C VAL A 7 1.396 12.195 -18.685 1.00 0.00 C ATOM 103 O VAL A 7 0.925 13.332 -18.705 1.00 0.00 O ATOM 104 CB VAL A 7 0.495 11.943 -16.290 1.00 0.00 C ATOM 105 CG1 VAL A 7 -0.061 10.941 -15.274 1.00 0.00 C ATOM 106 CG2 VAL A 7 1.514 12.833 -15.569 1.00 0.00 C ATOM 0 H VAL A 7 2.926 10.829 -16.548 1.00 0.00 H new ATOM 0 HA VAL A 7 0.341 10.570 -17.919 1.00 0.00 H new ATOM 0 HB VAL A 7 -0.315 12.559 -16.681 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.480 11.479 -14.424 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.841 10.341 -15.744 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.741 10.288 -14.930 1.00 0.00 H new ATOM 0 HG21 VAL A 7 1.039 13.307 -14.710 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.353 12.225 -15.230 1.00 0.00 H new ATOM 0 HG23 VAL A 7 1.875 13.600 -16.253 1.00 0.00 H new ATOM 116 N ARG A 8 2.182 11.773 -19.672 1.00 0.00 N ATOM 117 CA ARG A 8 2.656 12.646 -20.751 1.00 0.00 C ATOM 118 C ARG A 8 2.739 11.829 -22.039 1.00 0.00 C ATOM 119 O ARG A 8 2.349 10.660 -22.038 1.00 0.00 O ATOM 120 CB ARG A 8 3.930 13.335 -20.212 1.00 0.00 C ATOM 121 CG ARG A 8 4.953 14.003 -21.149 1.00 0.00 C ATOM 122 CD ARG A 8 6.046 13.090 -21.726 1.00 0.00 C ATOM 123 NE ARG A 8 6.748 12.289 -20.700 1.00 0.00 N ATOM 124 CZ ARG A 8 6.409 11.059 -20.281 1.00 0.00 C ATOM 125 NH1 ARG A 8 5.534 10.321 -20.953 1.00 0.00 N ATOM 126 NH2 ARG A 8 6.943 10.566 -19.173 1.00 0.00 N ATOM 0 H ARG A 8 2.512 10.811 -19.749 1.00 0.00 H new ATOM 0 HA ARG A 8 1.993 13.462 -21.039 1.00 0.00 H new ATOM 0 HB2 ARG A 8 3.600 14.100 -19.509 1.00 0.00 H new ATOM 0 HB3 ARG A 8 4.473 12.586 -19.636 1.00 0.00 H new ATOM 0 HG2 ARG A 8 4.411 14.455 -21.980 1.00 0.00 H new ATOM 0 HG3 ARG A 8 5.437 14.814 -20.605 1.00 0.00 H new ATOM 0 HD2 ARG A 8 5.598 12.417 -22.457 1.00 0.00 H new ATOM 0 HD3 ARG A 8 6.774 13.701 -22.260 1.00 0.00 H new ATOM 0 HE ARG A 8 7.570 12.712 -20.269 1.00 0.00 H new ATOM 0 HH11 ARG A 8 5.106 10.686 -21.804 1.00 0.00 H new ATOM 0 HH12 ARG A 8 5.290 9.389 -20.618 1.00 0.00 H new ATOM 0 HH21 ARG A 8 7.611 11.121 -18.638 1.00 0.00 H new ATOM 0 HH22 ARG A 8 6.686 9.632 -18.855 1.00 0.00 H new ATOM 140 N VAL A 9 3.157 12.438 -23.152 1.00 0.00 N ATOM 141 CA VAL A 9 3.133 11.781 -24.460 1.00 0.00 C ATOM 142 C VAL A 9 3.859 10.424 -24.437 1.00 0.00 C ATOM 143 O VAL A 9 4.851 10.275 -23.714 1.00 0.00 O ATOM 144 CB VAL A 9 3.677 12.694 -25.577 1.00 0.00 C ATOM 145 CG1 VAL A 9 2.735 13.883 -25.813 1.00 0.00 C ATOM 146 CG2 VAL A 9 5.099 13.221 -25.322 1.00 0.00 C ATOM 0 H VAL A 9 3.518 13.392 -23.172 1.00 0.00 H new ATOM 0 HA VAL A 9 2.086 11.583 -24.689 1.00 0.00 H new ATOM 0 HB VAL A 9 3.727 12.062 -26.464 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.138 14.515 -26.605 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.752 13.515 -26.106 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.646 14.464 -24.895 1.00 0.00 H new ATOM 0 HG21 VAL A 9 5.407 13.855 -26.154 1.00 0.00 H new ATOM 0 HG22 VAL A 9 5.112 13.802 -24.400 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.788 12.381 -25.232 1.00 0.00 H new ATOM 156 N PRO A 10 3.394 9.443 -25.230 1.00 0.00 N ATOM 157 CA PRO A 10 3.887 8.071 -25.178 1.00 0.00 C ATOM 158 C PRO A 10 5.205 7.844 -25.916 1.00 0.00 C ATOM 159 O PRO A 10 5.775 6.760 -25.807 1.00 0.00 O ATOM 160 CB PRO A 10 2.793 7.250 -25.851 1.00 0.00 C ATOM 161 CG PRO A 10 2.190 8.209 -26.870 1.00 0.00 C ATOM 162 CD PRO A 10 2.230 9.526 -26.110 1.00 0.00 C ATOM 0 HA PRO A 10 4.095 7.798 -24.143 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.200 6.360 -26.332 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.048 6.911 -25.131 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.773 8.249 -27.790 1.00 0.00 H new ATOM 0 HG3 PRO A 10 1.175 7.927 -27.148 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.317 10.370 -26.794 1.00 0.00 H new ATOM 0 HD3 PRO A 10 1.315 9.674 -25.536 1.00 0.00 H new ATOM 170 N GLU A 11 5.682 8.812 -26.695 1.00 0.00 N ATOM 171 CA GLU A 11 6.865 8.669 -27.535 1.00 0.00 C ATOM 172 C GLU A 11 8.075 8.213 -26.706 1.00 0.00 C ATOM 173 O GLU A 11 8.798 7.300 -27.106 1.00 0.00 O ATOM 174 CB GLU A 11 7.103 10.021 -28.227 1.00 0.00 C ATOM 175 CG GLU A 11 8.196 9.988 -29.300 1.00 0.00 C ATOM 176 CD GLU A 11 7.797 9.151 -30.530 1.00 0.00 C ATOM 177 OE1 GLU A 11 7.066 9.663 -31.409 1.00 0.00 O ATOM 178 OE2 GLU A 11 8.226 7.982 -30.645 1.00 0.00 O ATOM 0 H GLU A 11 5.249 9.733 -26.760 1.00 0.00 H new ATOM 0 HA GLU A 11 6.716 7.897 -28.290 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.170 10.353 -28.683 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.371 10.761 -27.473 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.420 11.007 -29.616 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.110 9.580 -28.869 1.00 0.00 H new ATOM 185 N GLN A 12 8.258 8.790 -25.512 1.00 0.00 N ATOM 186 CA GLN A 12 9.356 8.405 -24.627 1.00 0.00 C ATOM 187 C GLN A 12 9.118 7.023 -24.006 1.00 0.00 C ATOM 188 O GLN A 12 10.059 6.248 -23.867 1.00 0.00 O ATOM 189 CB GLN A 12 9.609 9.490 -23.568 1.00 0.00 C ATOM 190 CG GLN A 12 8.520 9.649 -22.490 1.00 0.00 C ATOM 191 CD GLN A 12 8.986 9.147 -21.116 1.00 0.00 C ATOM 192 OE1 GLN A 12 9.835 9.770 -20.487 1.00 0.00 O ATOM 193 NE2 GLN A 12 8.431 8.060 -20.598 1.00 0.00 N ATOM 0 H GLN A 12 7.657 9.525 -25.139 1.00 0.00 H new ATOM 0 HA GLN A 12 10.264 8.322 -25.225 1.00 0.00 H new ATOM 0 HB2 GLN A 12 10.554 9.272 -23.072 1.00 0.00 H new ATOM 0 HB3 GLN A 12 9.730 10.446 -24.078 1.00 0.00 H new ATOM 0 HG2 GLN A 12 8.237 10.699 -22.414 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.629 9.099 -22.793 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.726 7.546 -21.126 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.709 7.737 -19.671 1.00 0.00 H new ATOM 202 N TYR A 13 7.859 6.689 -23.692 1.00 0.00 N ATOM 203 CA TYR A 13 7.459 5.430 -23.071 1.00 0.00 C ATOM 204 C TYR A 13 7.890 4.235 -23.928 1.00 0.00 C ATOM 205 O TYR A 13 8.170 3.162 -23.387 1.00 0.00 O ATOM 206 CB TYR A 13 5.935 5.483 -22.838 1.00 0.00 C ATOM 207 CG TYR A 13 5.283 4.375 -22.034 1.00 0.00 C ATOM 208 CD1 TYR A 13 4.858 3.194 -22.673 1.00 0.00 C ATOM 209 CD2 TYR A 13 4.970 4.585 -20.677 1.00 0.00 C ATOM 210 CE1 TYR A 13 4.113 2.234 -21.966 1.00 0.00 C ATOM 211 CE2 TYR A 13 4.237 3.625 -19.958 1.00 0.00 C ATOM 212 CZ TYR A 13 3.790 2.450 -20.605 1.00 0.00 C ATOM 213 OH TYR A 13 3.020 1.558 -19.922 1.00 0.00 O ATOM 0 H TYR A 13 7.070 7.310 -23.871 1.00 0.00 H new ATOM 0 HA TYR A 13 7.957 5.295 -22.111 1.00 0.00 H new ATOM 0 HB2 TYR A 13 5.709 6.428 -22.343 1.00 0.00 H new ATOM 0 HB3 TYR A 13 5.452 5.511 -23.815 1.00 0.00 H new ATOM 0 HD1 TYR A 13 5.105 3.025 -23.711 1.00 0.00 H new ATOM 0 HD2 TYR A 13 5.295 5.490 -20.185 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.787 1.331 -22.462 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.016 3.785 -18.913 1.00 0.00 H new ATOM 0 HH TYR A 13 3.459 1.326 -19.077 1.00 0.00 H new ATOM 223 N GLN A 14 7.984 4.425 -25.252 1.00 0.00 N ATOM 224 CA GLN A 14 8.449 3.396 -26.171 1.00 0.00 C ATOM 225 C GLN A 14 9.916 3.042 -25.901 1.00 0.00 C ATOM 226 O GLN A 14 10.241 1.856 -25.835 1.00 0.00 O ATOM 227 CB GLN A 14 8.276 3.832 -27.639 1.00 0.00 C ATOM 228 CG GLN A 14 6.886 4.371 -28.018 1.00 0.00 C ATOM 229 CD GLN A 14 5.729 3.528 -27.479 1.00 0.00 C ATOM 230 OE1 GLN A 14 5.538 2.378 -27.865 1.00 0.00 O ATOM 231 NE2 GLN A 14 4.940 4.079 -26.569 1.00 0.00 N ATOM 0 H GLN A 14 7.737 5.303 -25.709 1.00 0.00 H new ATOM 0 HA GLN A 14 7.836 2.511 -26.002 1.00 0.00 H new ATOM 0 HB2 GLN A 14 9.016 4.602 -27.859 1.00 0.00 H new ATOM 0 HB3 GLN A 14 8.502 2.980 -28.280 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.787 5.390 -27.643 1.00 0.00 H new ATOM 0 HG3 GLN A 14 6.810 4.423 -29.104 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.111 5.035 -26.258 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.162 3.547 -26.179 1.00 0.00 H new ATOM 240 N GLN A 15 10.798 4.039 -25.740 1.00 0.00 N ATOM 241 CA GLN A 15 12.218 3.774 -25.522 1.00 0.00 C ATOM 242 C GLN A 15 12.450 3.287 -24.088 1.00 0.00 C ATOM 243 O GLN A 15 13.131 2.277 -23.912 1.00 0.00 O ATOM 244 CB GLN A 15 13.116 4.959 -25.928 1.00 0.00 C ATOM 245 CG GLN A 15 12.754 6.329 -25.341 1.00 0.00 C ATOM 246 CD GLN A 15 13.815 7.377 -25.673 1.00 0.00 C ATOM 247 OE1 GLN A 15 13.686 8.143 -26.626 1.00 0.00 O ATOM 248 NE2 GLN A 15 14.886 7.431 -24.902 1.00 0.00 N ATOM 0 H GLN A 15 10.550 5.028 -25.757 1.00 0.00 H new ATOM 0 HA GLN A 15 12.521 2.967 -26.189 1.00 0.00 H new ATOM 0 HB2 GLN A 15 14.140 4.725 -25.639 1.00 0.00 H new ATOM 0 HB3 GLN A 15 13.102 5.040 -27.015 1.00 0.00 H new ATOM 0 HG2 GLN A 15 11.789 6.650 -25.732 1.00 0.00 H new ATOM 0 HG3 GLN A 15 12.648 6.246 -24.259 1.00 0.00 H new ATOM 0 HE21 GLN A 15 14.980 6.790 -24.115 1.00 0.00 H new ATOM 0 HE22 GLN A 15 15.619 8.114 -25.094 1.00 0.00 H new ATOM 257 N GLU A 16 11.846 3.925 -23.079 1.00 0.00 N ATOM 258 CA GLU A 16 11.790 3.400 -21.719 1.00 0.00 C ATOM 259 C GLU A 16 10.726 4.130 -20.894 1.00 0.00 C ATOM 260 O GLU A 16 10.446 5.308 -21.114 1.00 0.00 O ATOM 261 CB GLU A 16 13.154 3.427 -20.995 1.00 0.00 C ATOM 262 CG GLU A 16 13.828 4.804 -20.857 1.00 0.00 C ATOM 263 CD GLU A 16 15.071 4.941 -21.754 1.00 0.00 C ATOM 264 OE1 GLU A 16 16.154 4.433 -21.379 1.00 0.00 O ATOM 265 OE2 GLU A 16 14.989 5.591 -22.819 1.00 0.00 O ATOM 0 H GLU A 16 11.381 4.826 -23.189 1.00 0.00 H new ATOM 0 HA GLU A 16 11.511 2.350 -21.811 1.00 0.00 H new ATOM 0 HB2 GLU A 16 13.019 3.011 -19.997 1.00 0.00 H new ATOM 0 HB3 GLU A 16 13.836 2.764 -21.527 1.00 0.00 H new ATOM 0 HG2 GLU A 16 13.111 5.584 -21.113 1.00 0.00 H new ATOM 0 HG3 GLU A 16 14.114 4.963 -19.817 1.00 0.00 H new ATOM 272 N HIS A 17 10.169 3.440 -19.901 1.00 0.00 N ATOM 273 CA HIS A 17 9.262 3.990 -18.905 1.00 0.00 C ATOM 274 C HIS A 17 9.481 3.263 -17.580 1.00 0.00 C ATOM 275 O HIS A 17 10.035 2.161 -17.557 1.00 0.00 O ATOM 276 CB HIS A 17 7.808 3.845 -19.376 1.00 0.00 C ATOM 277 CG HIS A 17 7.385 2.429 -19.701 1.00 0.00 C ATOM 278 ND1 HIS A 17 7.520 1.790 -20.914 1.00 0.00 N ATOM 279 CD2 HIS A 17 6.746 1.557 -18.859 1.00 0.00 C ATOM 280 CE1 HIS A 17 6.996 0.559 -20.791 1.00 0.00 C ATOM 281 NE2 HIS A 17 6.507 0.365 -19.553 1.00 0.00 N ATOM 0 H HIS A 17 10.346 2.445 -19.766 1.00 0.00 H new ATOM 0 HA HIS A 17 9.464 5.052 -18.767 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.149 4.237 -18.602 1.00 0.00 H new ATOM 0 HB3 HIS A 17 7.664 4.465 -20.261 1.00 0.00 H new ATOM 0 HD1 HIS A 17 7.943 2.182 -21.756 1.00 0.00 H new ATOM 0 HD2 HIS A 17 6.473 1.756 -17.833 1.00 0.00 H new ATOM 0 HE1 HIS A 17 6.971 -0.177 -21.581 1.00 0.00 H new ATOM 289 N VAL A 18 9.044 3.883 -16.484 1.00 0.00 N ATOM 290 CA VAL A 18 9.080 3.327 -15.137 1.00 0.00 C ATOM 291 C VAL A 18 8.347 1.984 -15.142 1.00 0.00 C ATOM 292 O VAL A 18 7.186 1.911 -15.547 1.00 0.00 O ATOM 293 CB VAL A 18 8.440 4.370 -14.197 1.00 0.00 C ATOM 294 CG1 VAL A 18 8.062 3.844 -12.808 1.00 0.00 C ATOM 295 CG2 VAL A 18 9.397 5.547 -13.992 1.00 0.00 C ATOM 0 H VAL A 18 8.641 4.820 -16.514 1.00 0.00 H new ATOM 0 HA VAL A 18 10.093 3.129 -14.786 1.00 0.00 H new ATOM 0 HB VAL A 18 7.517 4.661 -14.698 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.620 4.650 -12.222 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.342 3.032 -12.910 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.955 3.475 -12.303 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.937 6.278 -13.327 1.00 0.00 H new ATOM 0 HG22 VAL A 18 10.326 5.188 -13.549 1.00 0.00 H new ATOM 0 HG23 VAL A 18 9.610 6.014 -14.953 1.00 0.00 H new ATOM 305 N GLN A 19 9.010 0.922 -14.673 1.00 0.00 N ATOM 306 CA GLN A 19 8.463 -0.432 -14.705 1.00 0.00 C ATOM 307 C GLN A 19 7.164 -0.541 -13.898 1.00 0.00 C ATOM 308 O GLN A 19 6.299 -1.349 -14.238 1.00 0.00 O ATOM 309 CB GLN A 19 9.555 -1.416 -14.239 1.00 0.00 C ATOM 310 CG GLN A 19 9.199 -2.906 -14.394 1.00 0.00 C ATOM 311 CD GLN A 19 8.726 -3.551 -13.087 1.00 0.00 C ATOM 312 OE1 GLN A 19 9.514 -4.131 -12.344 1.00 0.00 O ATOM 313 NE2 GLN A 19 7.444 -3.470 -12.769 1.00 0.00 N ATOM 0 H GLN A 19 9.941 0.980 -14.261 1.00 0.00 H new ATOM 0 HA GLN A 19 8.181 -0.693 -15.725 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.467 -1.216 -14.801 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.777 -1.218 -13.190 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.418 -3.010 -15.147 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.071 -3.445 -14.763 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.794 -2.987 -13.390 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.106 -3.890 -11.903 1.00 0.00 H new ATOM 322 N GLY A 20 7.005 0.274 -12.853 1.00 0.00 N ATOM 323 CA GLY A 20 5.820 0.299 -12.004 1.00 0.00 C ATOM 324 C GLY A 20 4.768 1.311 -12.466 1.00 0.00 C ATOM 325 O GLY A 20 3.912 1.671 -11.656 1.00 0.00 O ATOM 0 H GLY A 20 7.715 0.949 -12.570 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.374 -0.695 -11.984 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.118 0.535 -10.982 1.00 0.00 H new ATOM 329 N ALA A 21 4.830 1.796 -13.716 1.00 0.00 N ATOM 330 CA ALA A 21 3.934 2.823 -14.244 1.00 0.00 C ATOM 331 C ALA A 21 3.219 2.362 -15.512 1.00 0.00 C ATOM 332 O ALA A 21 3.544 1.328 -16.100 1.00 0.00 O ATOM 333 CB ALA A 21 4.699 4.129 -14.514 1.00 0.00 C ATOM 0 H ALA A 21 5.519 1.476 -14.396 1.00 0.00 H new ATOM 0 HA ALA A 21 3.176 3.006 -13.483 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.012 4.879 -14.906 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.140 4.491 -13.585 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.489 3.944 -15.242 1.00 0.00 H new ATOM 339 N ILE A 22 2.248 3.178 -15.922 1.00 0.00 N ATOM 340 CA ILE A 22 1.361 2.988 -17.059 1.00 0.00 C ATOM 341 C ILE A 22 1.144 4.366 -17.694 1.00 0.00 C ATOM 342 O ILE A 22 1.095 5.370 -16.977 1.00 0.00 O ATOM 343 CB ILE A 22 0.032 2.329 -16.604 1.00 0.00 C ATOM 344 CG1 ILE A 22 -0.594 3.007 -15.356 1.00 0.00 C ATOM 345 CG2 ILE A 22 0.257 0.824 -16.363 1.00 0.00 C ATOM 346 CD1 ILE A 22 -1.959 2.439 -14.949 1.00 0.00 C ATOM 0 H ILE A 22 2.050 4.050 -15.430 1.00 0.00 H new ATOM 0 HA ILE A 22 1.794 2.313 -17.797 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.690 2.468 -17.408 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.094 2.904 -14.517 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.701 4.074 -15.552 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.678 0.363 -16.043 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.596 0.354 -17.286 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.012 0.688 -15.588 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.325 2.968 -14.069 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.665 2.566 -15.769 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.858 1.378 -14.719 1.00 0.00 H new ATOM 358 N ASN A 23 1.063 4.423 -19.027 1.00 0.00 N ATOM 359 CA ASN A 23 0.902 5.675 -19.766 1.00 0.00 C ATOM 360 C ASN A 23 -0.555 6.123 -19.718 1.00 0.00 C ATOM 361 O ASN A 23 -1.419 5.432 -20.256 1.00 0.00 O ATOM 362 CB ASN A 23 1.373 5.526 -21.219 1.00 0.00 C ATOM 363 CG ASN A 23 1.192 6.834 -21.982 1.00 0.00 C ATOM 364 OD1 ASN A 23 0.363 6.920 -22.882 1.00 0.00 O ATOM 365 ND2 ASN A 23 1.943 7.867 -21.642 1.00 0.00 N ATOM 0 H ASN A 23 1.108 3.597 -19.624 1.00 0.00 H new ATOM 0 HA ASN A 23 1.523 6.436 -19.293 1.00 0.00 H new ATOM 0 HB2 ASN A 23 2.422 5.231 -21.238 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.809 4.732 -21.709 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.839 8.756 -22.131 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.627 7.775 -20.891 1.00 0.00 H new ATOM 372 N ILE A 24 -0.823 7.272 -19.096 1.00 0.00 N ATOM 373 CA ILE A 24 -2.150 7.860 -18.906 1.00 0.00 C ATOM 374 C ILE A 24 -1.988 9.369 -19.186 1.00 0.00 C ATOM 375 O ILE A 24 -1.908 10.153 -18.239 1.00 0.00 O ATOM 376 CB ILE A 24 -2.688 7.566 -17.476 1.00 0.00 C ATOM 377 CG1 ILE A 24 -2.626 6.085 -17.026 1.00 0.00 C ATOM 378 CG2 ILE A 24 -4.124 8.096 -17.314 1.00 0.00 C ATOM 379 CD1 ILE A 24 -3.582 5.118 -17.736 1.00 0.00 C ATOM 0 H ILE A 24 -0.084 7.846 -18.691 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.890 7.430 -19.581 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.000 8.097 -16.818 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.607 5.726 -17.170 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.830 6.044 -15.956 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.480 7.880 -16.307 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.135 9.173 -17.479 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.775 7.611 -18.041 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.446 4.113 -17.336 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.611 5.438 -17.572 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.369 5.115 -18.805 1.00 0.00 H new ATOM 391 N PRO A 25 -1.824 9.792 -20.455 1.00 0.00 N ATOM 392 CA PRO A 25 -1.448 11.159 -20.811 1.00 0.00 C ATOM 393 C PRO A 25 -2.323 12.229 -20.155 1.00 0.00 C ATOM 394 O PRO A 25 -3.524 12.027 -19.968 1.00 0.00 O ATOM 395 CB PRO A 25 -1.551 11.238 -22.339 1.00 0.00 C ATOM 396 CG PRO A 25 -1.318 9.797 -22.778 1.00 0.00 C ATOM 397 CD PRO A 25 -1.984 8.996 -21.661 1.00 0.00 C ATOM 0 HA PRO A 25 -0.442 11.366 -20.447 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.527 11.604 -22.659 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -0.805 11.913 -22.759 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -1.769 9.591 -23.749 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -0.256 9.566 -22.865 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -3.038 8.823 -21.879 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.517 8.018 -21.549 1.00 0.00 H new ATOM 405 N LEU A 26 -1.742 13.409 -19.915 1.00 0.00 N ATOM 406 CA LEU A 26 -2.411 14.611 -19.410 1.00 0.00 C ATOM 407 C LEU A 26 -3.736 14.904 -20.128 1.00 0.00 C ATOM 408 O LEU A 26 -4.696 15.342 -19.497 1.00 0.00 O ATOM 409 CB LEU A 26 -1.431 15.793 -19.564 1.00 0.00 C ATOM 410 CG LEU A 26 -1.983 17.169 -19.141 1.00 0.00 C ATOM 411 CD1 LEU A 26 -2.337 17.198 -17.653 1.00 0.00 C ATOM 412 CD2 LEU A 26 -0.934 18.248 -19.428 1.00 0.00 C ATOM 0 H LEU A 26 -0.746 13.558 -20.075 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.673 14.454 -18.364 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.538 15.582 -18.975 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.119 15.851 -20.607 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.891 17.358 -19.713 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.723 18.183 -17.390 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.096 16.444 -17.445 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.445 16.988 -17.063 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.323 19.222 -19.130 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.026 18.032 -18.865 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.706 18.259 -20.494 1.00 0.00 H new ATOM 424 N LYS A 27 -3.801 14.634 -21.437 1.00 0.00 N ATOM 425 CA LYS A 27 -4.992 14.854 -22.261 1.00 0.00 C ATOM 426 C LYS A 27 -6.186 13.994 -21.831 1.00 0.00 C ATOM 427 O LYS A 27 -7.313 14.310 -22.211 1.00 0.00 O ATOM 428 CB LYS A 27 -4.664 14.588 -23.742 1.00 0.00 C ATOM 429 CG LYS A 27 -3.561 15.519 -24.278 1.00 0.00 C ATOM 430 CD LYS A 27 -3.244 15.290 -25.764 1.00 0.00 C ATOM 431 CE LYS A 27 -4.420 15.669 -26.678 1.00 0.00 C ATOM 432 NZ LYS A 27 -4.087 15.510 -28.116 1.00 0.00 N ATOM 0 H LYS A 27 -3.014 14.250 -21.960 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.283 15.895 -22.121 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.349 13.551 -23.861 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.566 14.717 -24.340 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.868 16.555 -24.134 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.654 15.371 -23.693 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.368 15.877 -26.041 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.988 14.242 -25.921 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.282 15.047 -26.435 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.709 16.702 -26.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.909 15.777 -28.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.282 16.123 -28.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.837 14.519 -28.307 1.00 0.00 H new ATOM 446 N GLU A 28 -5.968 12.918 -21.070 1.00 0.00 N ATOM 447 CA GLU A 28 -6.981 11.917 -20.752 1.00 0.00 C ATOM 448 C GLU A 28 -7.076 11.689 -19.243 1.00 0.00 C ATOM 449 O GLU A 28 -8.130 11.271 -18.764 1.00 0.00 O ATOM 450 CB GLU A 28 -6.635 10.595 -21.455 1.00 0.00 C ATOM 451 CG GLU A 28 -6.449 10.731 -22.975 1.00 0.00 C ATOM 452 CD GLU A 28 -6.270 9.359 -23.645 1.00 0.00 C ATOM 453 OE1 GLU A 28 -5.469 8.539 -23.144 1.00 0.00 O ATOM 454 OE2 GLU A 28 -6.923 9.099 -24.683 1.00 0.00 O ATOM 0 H GLU A 28 -5.060 12.717 -20.650 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.947 12.281 -21.103 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.720 10.192 -21.021 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.426 9.872 -21.258 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.314 11.237 -23.405 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.579 11.355 -23.182 1.00 0.00 H new ATOM 461 N VAL A 29 -6.005 11.977 -18.492 1.00 0.00 N ATOM 462 CA VAL A 29 -5.860 11.733 -17.062 1.00 0.00 C ATOM 463 C VAL A 29 -7.097 12.136 -16.245 1.00 0.00 C ATOM 464 O VAL A 29 -7.441 11.422 -15.310 1.00 0.00 O ATOM 465 CB VAL A 29 -4.537 12.381 -16.567 1.00 0.00 C ATOM 466 CG1 VAL A 29 -4.669 13.863 -16.184 1.00 0.00 C ATOM 467 CG2 VAL A 29 -3.942 11.583 -15.402 1.00 0.00 C ATOM 0 H VAL A 29 -5.174 12.410 -18.894 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.792 10.658 -16.896 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.859 12.348 -17.420 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.702 14.240 -15.849 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.001 14.435 -17.051 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.397 13.967 -15.380 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.017 12.055 -15.072 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.652 11.561 -14.576 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.733 10.564 -15.728 1.00 0.00 H new ATOM 477 N LYS A 30 -7.803 13.216 -16.613 1.00 0.00 N ATOM 478 CA LYS A 30 -8.982 13.694 -15.887 1.00 0.00 C ATOM 479 C LYS A 30 -10.035 12.604 -15.702 1.00 0.00 C ATOM 480 O LYS A 30 -10.659 12.549 -14.647 1.00 0.00 O ATOM 481 CB LYS A 30 -9.566 14.927 -16.600 1.00 0.00 C ATOM 482 CG LYS A 30 -10.689 15.587 -15.782 1.00 0.00 C ATOM 483 CD LYS A 30 -11.125 16.915 -16.411 1.00 0.00 C ATOM 484 CE LYS A 30 -12.255 17.541 -15.582 1.00 0.00 C ATOM 485 NZ LYS A 30 -12.727 18.826 -16.154 1.00 0.00 N ATOM 0 H LYS A 30 -7.568 13.783 -17.428 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.666 13.980 -14.884 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.772 15.653 -16.778 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.953 14.632 -17.575 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.543 14.912 -15.721 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.346 15.760 -14.762 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.278 17.599 -16.461 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -11.462 16.749 -17.434 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -13.090 16.843 -15.524 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.906 17.706 -14.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.490 19.211 -15.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.938 19.503 -16.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -13.085 18.667 -17.117 1.00 0.00 H new ATOM 499 N GLU A 31 -10.217 11.724 -16.687 1.00 0.00 N ATOM 500 CA GLU A 31 -11.174 10.624 -16.592 1.00 0.00 C ATOM 501 C GLU A 31 -10.426 9.295 -16.518 1.00 0.00 C ATOM 502 O GLU A 31 -10.794 8.415 -15.741 1.00 0.00 O ATOM 503 CB GLU A 31 -12.136 10.658 -17.790 1.00 0.00 C ATOM 504 CG GLU A 31 -13.040 11.900 -17.773 1.00 0.00 C ATOM 505 CD GLU A 31 -14.061 11.870 -18.924 1.00 0.00 C ATOM 506 OE1 GLU A 31 -13.762 12.383 -20.027 1.00 0.00 O ATOM 507 OE2 GLU A 31 -15.185 11.349 -18.736 1.00 0.00 O ATOM 0 H GLU A 31 -9.707 11.754 -17.570 1.00 0.00 H new ATOM 0 HA GLU A 31 -11.766 10.733 -15.683 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -11.561 10.642 -18.716 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -12.754 9.760 -17.783 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -13.566 11.955 -16.820 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -12.428 12.798 -17.852 1.00 0.00 H new ATOM 514 N ARG A 32 -9.338 9.153 -17.281 1.00 0.00 N ATOM 515 CA ARG A 32 -8.590 7.907 -17.399 1.00 0.00 C ATOM 516 C ARG A 32 -7.876 7.529 -16.094 1.00 0.00 C ATOM 517 O ARG A 32 -7.523 6.360 -15.919 1.00 0.00 O ATOM 518 CB ARG A 32 -7.654 8.031 -18.615 1.00 0.00 C ATOM 519 CG ARG A 32 -7.157 6.675 -19.130 1.00 0.00 C ATOM 520 CD ARG A 32 -6.261 6.836 -20.368 1.00 0.00 C ATOM 521 NE ARG A 32 -5.629 5.546 -20.701 1.00 0.00 N ATOM 522 CZ ARG A 32 -4.588 5.349 -21.521 1.00 0.00 C ATOM 523 NH1 ARG A 32 -4.119 6.327 -22.287 1.00 0.00 N ATOM 524 NH2 ARG A 32 -4.016 4.150 -21.567 1.00 0.00 N ATOM 0 H ARG A 32 -8.950 9.913 -17.840 1.00 0.00 H new ATOM 0 HA ARG A 32 -9.269 7.072 -17.570 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.178 8.549 -19.418 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.796 8.647 -18.345 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -6.602 6.167 -18.342 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.010 6.044 -19.377 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -6.853 7.190 -21.212 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.495 7.588 -20.178 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.026 4.716 -20.261 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -4.552 7.250 -22.258 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -3.325 6.155 -22.904 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -4.370 3.393 -20.982 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -3.223 3.987 -22.187 1.00 0.00 H new ATOM 538 N ILE A 33 -7.710 8.455 -15.142 1.00 0.00 N ATOM 539 CA ILE A 33 -7.244 8.108 -13.802 1.00 0.00 C ATOM 540 C ILE A 33 -8.181 7.086 -13.140 1.00 0.00 C ATOM 541 O ILE A 33 -7.696 6.240 -12.395 1.00 0.00 O ATOM 542 CB ILE A 33 -7.037 9.371 -12.933 1.00 0.00 C ATOM 543 CG1 ILE A 33 -6.264 9.055 -11.631 1.00 0.00 C ATOM 544 CG2 ILE A 33 -8.366 10.092 -12.618 1.00 0.00 C ATOM 545 CD1 ILE A 33 -4.795 8.675 -11.857 1.00 0.00 C ATOM 0 H ILE A 33 -7.893 9.449 -15.279 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.268 7.631 -13.894 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.429 10.052 -13.528 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -6.307 9.924 -10.974 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -6.765 8.238 -11.112 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -8.167 10.972 -12.006 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.843 10.398 -13.549 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.027 9.416 -12.077 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.321 8.468 -10.898 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.742 7.787 -12.487 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.277 9.499 -12.347 1.00 0.00 H new ATOM 557 N ALA A 34 -9.491 7.106 -13.425 1.00 0.00 N ATOM 558 CA ALA A 34 -10.436 6.190 -12.793 1.00 0.00 C ATOM 559 C ALA A 34 -10.115 4.739 -13.162 1.00 0.00 C ATOM 560 O ALA A 34 -10.162 3.859 -12.303 1.00 0.00 O ATOM 561 CB ALA A 34 -11.869 6.550 -13.198 1.00 0.00 C ATOM 0 H ALA A 34 -9.916 7.751 -14.092 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.346 6.288 -11.711 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -12.566 5.861 -12.721 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.092 7.569 -12.881 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -11.970 6.477 -14.281 1.00 0.00 H new ATOM 567 N THR A 35 -9.763 4.488 -14.425 1.00 0.00 N ATOM 568 CA THR A 35 -9.311 3.183 -14.887 1.00 0.00 C ATOM 569 C THR A 35 -7.919 2.846 -14.329 1.00 0.00 C ATOM 570 O THR A 35 -7.655 1.685 -14.011 1.00 0.00 O ATOM 571 CB THR A 35 -9.349 3.147 -16.433 1.00 0.00 C ATOM 572 OG1 THR A 35 -9.172 4.429 -17.019 1.00 0.00 O ATOM 573 CG2 THR A 35 -10.712 2.646 -16.920 1.00 0.00 C ATOM 0 H THR A 35 -9.786 5.195 -15.160 1.00 0.00 H new ATOM 0 HA THR A 35 -9.984 2.412 -14.511 1.00 0.00 H new ATOM 0 HB THR A 35 -8.533 2.488 -16.729 1.00 0.00 H new ATOM 0 HG1 THR A 35 -8.459 4.909 -16.548 1.00 0.00 H new ATOM 0 HG21 THR A 35 -10.724 2.626 -18.010 1.00 0.00 H new ATOM 0 HG22 THR A 35 -10.888 1.641 -16.537 1.00 0.00 H new ATOM 0 HG23 THR A 35 -11.495 3.314 -16.561 1.00 0.00 H new ATOM 581 N ALA A 36 -7.033 3.841 -14.187 1.00 0.00 N ATOM 582 CA ALA A 36 -5.670 3.632 -13.711 1.00 0.00 C ATOM 583 C ALA A 36 -5.632 3.265 -12.220 1.00 0.00 C ATOM 584 O ALA A 36 -4.917 2.338 -11.839 1.00 0.00 O ATOM 585 CB ALA A 36 -4.853 4.902 -13.966 1.00 0.00 C ATOM 0 H ALA A 36 -7.248 4.815 -14.401 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.240 2.793 -14.258 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.832 4.755 -13.613 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.840 5.118 -15.034 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.304 5.738 -13.432 1.00 0.00 H new ATOM 591 N VAL A 37 -6.392 3.981 -11.385 1.00 0.00 N ATOM 592 CA VAL A 37 -6.401 3.857 -9.931 1.00 0.00 C ATOM 593 C VAL A 37 -7.853 4.055 -9.451 1.00 0.00 C ATOM 594 O VAL A 37 -8.266 5.189 -9.187 1.00 0.00 O ATOM 595 CB VAL A 37 -5.401 4.823 -9.255 1.00 0.00 C ATOM 596 CG1 VAL A 37 -5.098 4.342 -7.830 1.00 0.00 C ATOM 597 CG2 VAL A 37 -4.061 4.999 -9.990 1.00 0.00 C ATOM 0 H VAL A 37 -7.043 4.691 -11.721 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.059 2.864 -9.638 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.898 5.793 -9.271 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.393 5.026 -7.357 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.021 4.315 -7.251 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.664 3.343 -7.868 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.431 5.695 -9.436 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.558 4.035 -10.065 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.243 5.392 -10.990 1.00 0.00 H new ATOM 607 N PRO A 38 -8.664 2.981 -9.387 1.00 0.00 N ATOM 608 CA PRO A 38 -10.039 3.053 -8.902 1.00 0.00 C ATOM 609 C PRO A 38 -10.146 3.583 -7.465 1.00 0.00 C ATOM 610 O PRO A 38 -11.050 4.365 -7.164 1.00 0.00 O ATOM 611 CB PRO A 38 -10.591 1.625 -9.006 1.00 0.00 C ATOM 612 CG PRO A 38 -9.727 0.976 -10.084 1.00 0.00 C ATOM 613 CD PRO A 38 -8.369 1.646 -9.887 1.00 0.00 C ATOM 0 HA PRO A 38 -10.611 3.762 -9.500 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -10.511 1.095 -8.057 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.645 1.623 -9.284 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -9.666 -0.105 -9.956 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -10.125 1.156 -11.083 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.755 1.089 -9.180 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.814 1.691 -10.824 1.00 0.00 H new ATOM 621 N ASP A 39 -9.242 3.161 -6.571 1.00 0.00 N ATOM 622 CA ASP A 39 -9.200 3.629 -5.185 1.00 0.00 C ATOM 623 C ASP A 39 -8.486 4.973 -5.145 1.00 0.00 C ATOM 624 O ASP A 39 -7.255 5.043 -5.160 1.00 0.00 O ATOM 625 CB ASP A 39 -8.510 2.613 -4.263 1.00 0.00 C ATOM 626 CG ASP A 39 -8.386 3.109 -2.805 1.00 0.00 C ATOM 627 OD1 ASP A 39 -8.862 4.217 -2.469 1.00 0.00 O ATOM 628 OD2 ASP A 39 -7.833 2.353 -1.974 1.00 0.00 O ATOM 0 H ASP A 39 -8.516 2.481 -6.794 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.220 3.742 -4.818 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -9.071 1.679 -4.277 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.516 2.394 -4.652 1.00 0.00 H new ATOM 633 N LYS A 40 -9.267 6.051 -5.098 1.00 0.00 N ATOM 634 CA LYS A 40 -8.739 7.407 -5.174 1.00 0.00 C ATOM 635 C LYS A 40 -7.874 7.808 -3.972 1.00 0.00 C ATOM 636 O LYS A 40 -7.285 8.890 -4.003 1.00 0.00 O ATOM 637 CB LYS A 40 -9.870 8.422 -5.388 1.00 0.00 C ATOM 638 CG LYS A 40 -10.896 8.050 -6.473 1.00 0.00 C ATOM 639 CD LYS A 40 -11.751 9.253 -6.910 1.00 0.00 C ATOM 640 CE LYS A 40 -12.560 9.923 -5.786 1.00 0.00 C ATOM 641 NZ LYS A 40 -13.657 9.067 -5.265 1.00 0.00 N ATOM 0 H LYS A 40 -10.282 6.006 -5.006 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.074 7.417 -6.038 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -10.398 8.556 -4.444 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.427 9.384 -5.645 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -10.373 7.645 -7.340 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.548 7.262 -6.097 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.096 10.000 -7.360 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -12.441 8.925 -7.687 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.888 10.180 -4.967 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -12.982 10.857 -6.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -14.164 9.573 -4.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -14.318 8.842 -6.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -13.258 8.186 -4.882 1.00 0.00 H new ATOM 655 N ASN A 41 -7.809 6.991 -2.915 1.00 0.00 N ATOM 656 CA ASN A 41 -6.990 7.251 -1.734 1.00 0.00 C ATOM 657 C ASN A 41 -5.698 6.427 -1.751 1.00 0.00 C ATOM 658 O ASN A 41 -4.833 6.636 -0.899 1.00 0.00 O ATOM 659 CB ASN A 41 -7.819 6.969 -0.470 1.00 0.00 C ATOM 660 CG ASN A 41 -7.077 7.317 0.818 1.00 0.00 C ATOM 661 OD1 ASN A 41 -6.745 6.447 1.617 1.00 0.00 O ATOM 662 ND2 ASN A 41 -6.824 8.592 1.063 1.00 0.00 N ATOM 0 H ASN A 41 -8.333 6.118 -2.859 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.691 8.299 -1.737 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.746 7.541 -0.515 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.095 5.915 -0.451 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.348 8.861 1.924 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.105 9.306 0.391 1.00 0.00 H new ATOM 669 N ASP A 42 -5.535 5.498 -2.700 1.00 0.00 N ATOM 670 CA ASP A 42 -4.265 4.798 -2.893 1.00 0.00 C ATOM 671 C ASP A 42 -3.200 5.785 -3.388 1.00 0.00 C ATOM 672 O ASP A 42 -3.541 6.775 -4.038 1.00 0.00 O ATOM 673 CB ASP A 42 -4.429 3.652 -3.893 1.00 0.00 C ATOM 674 CG ASP A 42 -3.165 2.792 -3.907 1.00 0.00 C ATOM 675 OD1 ASP A 42 -2.861 2.198 -2.850 1.00 0.00 O ATOM 676 OD2 ASP A 42 -2.489 2.714 -4.955 1.00 0.00 O ATOM 0 H ASP A 42 -6.271 5.215 -3.347 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.947 4.377 -1.939 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.292 3.043 -3.623 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.619 4.051 -4.889 1.00 0.00 H new ATOM 681 N THR A 43 -1.922 5.548 -3.083 1.00 0.00 N ATOM 682 CA THR A 43 -0.853 6.488 -3.413 1.00 0.00 C ATOM 683 C THR A 43 -0.700 6.589 -4.938 1.00 0.00 C ATOM 684 O THR A 43 -0.566 5.564 -5.611 1.00 0.00 O ATOM 685 CB THR A 43 0.469 6.053 -2.749 1.00 0.00 C ATOM 686 OG1 THR A 43 0.254 5.447 -1.486 1.00 0.00 O ATOM 687 CG2 THR A 43 1.433 7.229 -2.571 1.00 0.00 C ATOM 0 H THR A 43 -1.603 4.706 -2.604 1.00 0.00 H new ATOM 0 HA THR A 43 -1.112 7.474 -3.027 1.00 0.00 H new ATOM 0 HB THR A 43 0.914 5.323 -3.425 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.191 4.475 -1.596 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.351 6.879 -2.100 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.666 7.659 -3.545 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.969 7.988 -1.941 1.00 0.00 H new ATOM 695 N VAL A 44 -0.644 7.808 -5.482 1.00 0.00 N ATOM 696 CA VAL A 44 -0.463 8.051 -6.910 1.00 0.00 C ATOM 697 C VAL A 44 0.797 8.899 -7.057 1.00 0.00 C ATOM 698 O VAL A 44 0.931 9.923 -6.387 1.00 0.00 O ATOM 699 CB VAL A 44 -1.708 8.733 -7.529 1.00 0.00 C ATOM 700 CG1 VAL A 44 -1.576 8.807 -9.057 1.00 0.00 C ATOM 701 CG2 VAL A 44 -3.017 7.995 -7.214 1.00 0.00 C ATOM 0 H VAL A 44 -0.725 8.664 -4.932 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.348 7.114 -7.455 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.751 9.727 -7.084 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.459 9.289 -9.476 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.689 9.385 -9.318 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.485 7.800 -9.464 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.852 8.522 -7.675 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.966 6.980 -7.608 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.163 7.958 -6.134 1.00 0.00 H new ATOM 711 N LYS A 45 1.722 8.488 -7.927 1.00 0.00 N ATOM 712 CA LYS A 45 3.000 9.168 -8.126 1.00 0.00 C ATOM 713 C LYS A 45 3.145 9.463 -9.609 1.00 0.00 C ATOM 714 O LYS A 45 3.655 8.639 -10.371 1.00 0.00 O ATOM 715 CB LYS A 45 4.160 8.350 -7.539 1.00 0.00 C ATOM 716 CG LYS A 45 4.114 8.353 -6.004 1.00 0.00 C ATOM 717 CD LYS A 45 5.304 7.603 -5.397 1.00 0.00 C ATOM 718 CE LYS A 45 5.293 7.770 -3.872 1.00 0.00 C ATOM 719 NZ LYS A 45 6.345 6.960 -3.215 1.00 0.00 N ATOM 0 H LYS A 45 1.602 7.665 -8.518 1.00 0.00 H new ATOM 0 HA LYS A 45 3.028 10.115 -7.587 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.109 7.325 -7.906 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.110 8.763 -7.879 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.110 9.381 -5.643 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.185 7.893 -5.667 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.252 6.546 -5.658 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.237 7.987 -5.808 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.436 8.821 -3.622 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.317 7.480 -3.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.403 7.216 -2.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.111 5.950 -3.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.261 7.144 -3.672 1.00 0.00 H new ATOM 733 N VAL A 46 2.599 10.595 -10.041 1.00 0.00 N ATOM 734 CA VAL A 46 2.679 10.990 -11.439 1.00 0.00 C ATOM 735 C VAL A 46 4.119 11.422 -11.759 1.00 0.00 C ATOM 736 O VAL A 46 4.850 11.864 -10.867 1.00 0.00 O ATOM 737 CB VAL A 46 1.630 12.076 -11.760 1.00 0.00 C ATOM 738 CG1 VAL A 46 0.195 11.579 -11.514 1.00 0.00 C ATOM 739 CG2 VAL A 46 1.801 13.385 -10.982 1.00 0.00 C ATOM 0 H VAL A 46 2.098 11.252 -9.443 1.00 0.00 H new ATOM 0 HA VAL A 46 2.439 10.145 -12.084 1.00 0.00 H new ATOM 0 HB VAL A 46 1.801 12.284 -12.816 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.511 12.374 -11.752 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.004 10.715 -12.148 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.083 11.295 -10.468 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.019 14.086 -11.274 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.728 13.185 -9.913 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.777 13.816 -11.205 1.00 0.00 H new ATOM 749 N TYR A 47 4.522 11.322 -13.026 1.00 0.00 N ATOM 750 CA TYR A 47 5.751 11.890 -13.561 1.00 0.00 C ATOM 751 C TYR A 47 5.544 12.147 -15.059 1.00 0.00 C ATOM 752 O TYR A 47 4.664 11.541 -15.679 1.00 0.00 O ATOM 753 CB TYR A 47 6.946 10.951 -13.305 1.00 0.00 C ATOM 754 CG TYR A 47 7.011 9.730 -14.202 1.00 0.00 C ATOM 755 CD1 TYR A 47 7.679 9.810 -15.437 1.00 0.00 C ATOM 756 CD2 TYR A 47 6.423 8.516 -13.803 1.00 0.00 C ATOM 757 CE1 TYR A 47 7.745 8.697 -16.287 1.00 0.00 C ATOM 758 CE2 TYR A 47 6.503 7.390 -14.641 1.00 0.00 C ATOM 759 CZ TYR A 47 7.157 7.477 -15.891 1.00 0.00 C ATOM 760 OH TYR A 47 7.210 6.401 -16.726 1.00 0.00 O ATOM 0 H TYR A 47 3.978 10.824 -13.731 1.00 0.00 H new ATOM 0 HA TYR A 47 5.981 12.830 -13.060 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.868 11.520 -13.426 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.911 10.619 -12.268 1.00 0.00 H new ATOM 0 HD1 TYR A 47 8.146 10.738 -15.733 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.911 8.449 -12.854 1.00 0.00 H new ATOM 0 HE1 TYR A 47 8.244 8.773 -17.242 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.063 6.455 -14.328 1.00 0.00 H new ATOM 0 HH TYR A 47 6.842 6.647 -17.600 1.00 0.00 H new ATOM 770 N CYS A 48 6.344 13.043 -15.647 1.00 0.00 N ATOM 771 CA CYS A 48 6.275 13.372 -17.067 1.00 0.00 C ATOM 772 C CYS A 48 7.681 13.386 -17.677 1.00 0.00 C ATOM 773 O CYS A 48 8.470 12.478 -17.416 1.00 0.00 O ATOM 774 CB CYS A 48 5.454 14.658 -17.270 1.00 0.00 C ATOM 775 SG CYS A 48 6.303 16.151 -16.683 1.00 0.00 S ATOM 0 H CYS A 48 7.062 13.562 -15.143 1.00 0.00 H new ATOM 0 HA CYS A 48 5.738 12.601 -17.619 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.225 14.771 -18.330 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.503 14.560 -16.747 1.00 0.00 H new ATOM 0 HG CYS A 48 6.059 16.320 -15.417 1.00 0.00 H new ATOM 781 N ASN A 49 7.993 14.341 -18.560 1.00 0.00 N ATOM 782 CA ASN A 49 9.350 14.524 -19.077 1.00 0.00 C ATOM 783 C ASN A 49 10.264 15.162 -18.024 1.00 0.00 C ATOM 784 O ASN A 49 11.430 14.777 -17.931 1.00 0.00 O ATOM 785 CB ASN A 49 9.314 15.393 -20.346 1.00 0.00 C ATOM 786 CG ASN A 49 10.724 15.680 -20.871 1.00 0.00 C ATOM 787 OD1 ASN A 49 11.554 14.783 -20.993 1.00 0.00 O ATOM 788 ND2 ASN A 49 11.035 16.928 -21.177 1.00 0.00 N ATOM 0 H ASN A 49 7.315 15.005 -18.934 1.00 0.00 H new ATOM 0 HA ASN A 49 9.756 13.543 -19.324 1.00 0.00 H new ATOM 0 HB2 ASN A 49 8.733 14.888 -21.118 1.00 0.00 H new ATOM 0 HB3 ASN A 49 8.807 16.333 -20.130 1.00 0.00 H new ATOM 0 HD21 ASN A 49 11.970 17.152 -21.517 1.00 0.00 H new ATOM 0 HD22 ASN A 49 10.340 17.667 -21.073 1.00 0.00 H new ATOM 795 N ALA A 50 9.759 16.113 -17.224 1.00 0.00 N ATOM 796 CA ALA A 50 10.579 16.870 -16.273 1.00 0.00 C ATOM 797 C ALA A 50 9.798 17.363 -15.047 1.00 0.00 C ATOM 798 O ALA A 50 10.337 17.314 -13.941 1.00 0.00 O ATOM 799 CB ALA A 50 11.206 18.070 -16.995 1.00 0.00 C ATOM 0 H ALA A 50 8.774 16.377 -17.220 1.00 0.00 H new ATOM 0 HA ALA A 50 11.344 16.189 -15.901 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.817 18.638 -16.294 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.830 17.716 -17.816 1.00 0.00 H new ATOM 0 HB3 ALA A 50 10.417 18.710 -17.389 1.00 0.00 H new ATOM 805 N GLY A 51 8.549 17.817 -15.210 1.00 0.00 N ATOM 806 CA GLY A 51 7.703 18.204 -14.080 1.00 0.00 C ATOM 807 C GLY A 51 6.437 18.971 -14.461 1.00 0.00 C ATOM 808 O GLY A 51 5.462 18.914 -13.716 1.00 0.00 O ATOM 0 H GLY A 51 8.102 17.925 -16.121 1.00 0.00 H new ATOM 0 HA2 GLY A 51 7.416 17.305 -13.534 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.291 18.817 -13.397 1.00 0.00 H new ATOM 812 N ARG A 52 6.420 19.680 -15.598 1.00 0.00 N ATOM 813 CA ARG A 52 5.284 20.514 -16.006 1.00 0.00 C ATOM 814 C ARG A 52 4.020 19.686 -16.218 1.00 0.00 C ATOM 815 O ARG A 52 3.034 19.894 -15.514 1.00 0.00 O ATOM 816 CB ARG A 52 5.657 21.348 -17.237 1.00 0.00 C ATOM 817 CG ARG A 52 4.489 22.272 -17.616 1.00 0.00 C ATOM 818 CD ARG A 52 4.923 23.317 -18.639 1.00 0.00 C ATOM 819 NE ARG A 52 5.812 24.343 -18.062 1.00 0.00 N ATOM 820 CZ ARG A 52 6.472 25.281 -18.755 1.00 0.00 C ATOM 821 NH1 ARG A 52 6.360 25.350 -20.080 1.00 0.00 N ATOM 822 NH2 ARG A 52 7.246 26.151 -18.115 1.00 0.00 N ATOM 0 H ARG A 52 7.195 19.691 -16.261 1.00 0.00 H new ATOM 0 HA ARG A 52 5.053 21.206 -15.196 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.548 21.940 -17.029 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.898 20.691 -18.073 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.670 21.679 -18.023 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.110 22.769 -16.723 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.434 22.821 -19.464 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.039 23.800 -19.056 1.00 0.00 H new ATOM 0 HE ARG A 52 5.935 24.338 -17.049 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.767 24.685 -20.577 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.867 26.068 -20.598 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.336 26.103 -17.100 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.750 26.867 -18.639 1.00 0.00 H new ATOM 836 N GLN A 53 4.032 18.759 -17.180 1.00 0.00 N ATOM 837 CA GLN A 53 2.836 18.004 -17.555 1.00 0.00 C ATOM 838 C GLN A 53 2.319 17.165 -16.379 1.00 0.00 C ATOM 839 O GLN A 53 1.107 17.019 -16.219 1.00 0.00 O ATOM 840 CB GLN A 53 3.093 17.161 -18.826 1.00 0.00 C ATOM 841 CG GLN A 53 3.144 18.051 -20.079 1.00 0.00 C ATOM 842 CD GLN A 53 3.259 17.240 -21.373 1.00 0.00 C ATOM 843 OE1 GLN A 53 2.499 16.307 -21.619 1.00 0.00 O ATOM 844 NE2 GLN A 53 4.213 17.567 -22.232 1.00 0.00 N ATOM 0 H GLN A 53 4.864 18.513 -17.716 1.00 0.00 H new ATOM 0 HA GLN A 53 2.043 18.710 -17.801 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.033 16.619 -18.723 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.306 16.416 -18.937 1.00 0.00 H new ATOM 0 HG2 GLN A 53 2.246 18.667 -20.119 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.993 18.730 -20.003 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.842 18.342 -22.024 1.00 0.00 H new ATOM 0 HE22 GLN A 53 4.318 17.043 -23.101 1.00 0.00 H new ATOM 853 N SER A 54 3.203 16.670 -15.511 1.00 0.00 N ATOM 854 CA SER A 54 2.802 15.942 -14.319 1.00 0.00 C ATOM 855 C SER A 54 2.284 16.872 -13.225 1.00 0.00 C ATOM 856 O SER A 54 1.343 16.507 -12.527 1.00 0.00 O ATOM 857 CB SER A 54 3.972 15.094 -13.840 1.00 0.00 C ATOM 858 OG SER A 54 5.171 15.851 -13.858 1.00 0.00 O ATOM 0 H SER A 54 4.213 16.765 -15.619 1.00 0.00 H new ATOM 0 HA SER A 54 1.967 15.287 -14.569 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.778 14.732 -12.830 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.079 14.217 -14.478 1.00 0.00 H new ATOM 0 HG SER A 54 5.941 15.246 -13.811 1.00 0.00 H new ATOM 864 N GLY A 55 2.822 18.085 -13.101 1.00 0.00 N ATOM 865 CA GLY A 55 2.306 19.113 -12.210 1.00 0.00 C ATOM 866 C GLY A 55 0.857 19.439 -12.567 1.00 0.00 C ATOM 867 O GLY A 55 -0.018 19.442 -11.701 1.00 0.00 O ATOM 0 H GLY A 55 3.643 18.382 -13.628 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.366 18.773 -11.176 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.918 20.012 -12.286 1.00 0.00 H new ATOM 871 N GLN A 56 0.588 19.625 -13.862 1.00 0.00 N ATOM 872 CA GLN A 56 -0.752 19.872 -14.382 1.00 0.00 C ATOM 873 C GLN A 56 -1.661 18.692 -14.049 1.00 0.00 C ATOM 874 O GLN A 56 -2.731 18.884 -13.471 1.00 0.00 O ATOM 875 CB GLN A 56 -0.691 20.080 -15.902 1.00 0.00 C ATOM 876 CG GLN A 56 0.134 21.307 -16.304 1.00 0.00 C ATOM 877 CD GLN A 56 -0.637 22.615 -16.114 1.00 0.00 C ATOM 878 OE1 GLN A 56 -0.574 23.248 -15.063 1.00 0.00 O ATOM 879 NE2 GLN A 56 -1.391 23.047 -17.113 1.00 0.00 N ATOM 0 H GLN A 56 1.307 19.607 -14.585 1.00 0.00 H new ATOM 0 HA GLN A 56 -1.157 20.772 -13.919 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -0.263 19.192 -16.368 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.704 20.187 -16.290 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.048 21.337 -15.711 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.434 21.214 -17.348 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.438 22.516 -17.983 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -1.924 23.911 -17.013 1.00 0.00 H new ATOM 888 N ALA A 57 -1.219 17.467 -14.356 1.00 0.00 N ATOM 889 CA ALA A 57 -1.987 16.268 -14.060 1.00 0.00 C ATOM 890 C ALA A 57 -2.276 16.160 -12.566 1.00 0.00 C ATOM 891 O ALA A 57 -3.375 15.773 -12.185 1.00 0.00 O ATOM 892 CB ALA A 57 -1.232 15.027 -14.538 1.00 0.00 C ATOM 0 H ALA A 57 -0.325 17.287 -14.813 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.938 16.334 -14.589 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.817 14.136 -14.311 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.071 15.091 -15.614 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.269 14.969 -14.030 1.00 0.00 H new ATOM 898 N LYS A 58 -1.318 16.523 -11.714 1.00 0.00 N ATOM 899 CA LYS A 58 -1.469 16.395 -10.264 1.00 0.00 C ATOM 900 C LYS A 58 -2.553 17.351 -9.772 1.00 0.00 C ATOM 901 O LYS A 58 -3.351 16.975 -8.911 1.00 0.00 O ATOM 902 CB LYS A 58 -0.104 16.591 -9.570 1.00 0.00 C ATOM 903 CG LYS A 58 -0.186 16.547 -8.033 1.00 0.00 C ATOM 904 CD LYS A 58 -0.205 17.956 -7.422 1.00 0.00 C ATOM 905 CE LYS A 58 -0.898 17.951 -6.055 1.00 0.00 C ATOM 906 NZ LYS A 58 -1.103 19.327 -5.543 1.00 0.00 N ATOM 0 H LYS A 58 -0.421 16.911 -12.006 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.801 15.390 -10.002 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.583 15.817 -9.912 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.317 17.549 -9.876 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.085 16.008 -7.732 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.665 15.992 -7.639 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.815 18.324 -7.315 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.722 18.641 -8.094 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.860 17.445 -6.136 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.298 17.383 -5.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.799 19.310 -4.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.201 19.704 -5.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.454 19.934 -6.311 1.00 0.00 H new ATOM 920 N GLU A 59 -2.632 18.560 -10.325 1.00 0.00 N ATOM 921 CA GLU A 59 -3.708 19.483 -9.991 1.00 0.00 C ATOM 922 C GLU A 59 -5.050 18.941 -10.496 1.00 0.00 C ATOM 923 O GLU A 59 -6.031 19.010 -9.756 1.00 0.00 O ATOM 924 CB GLU A 59 -3.413 20.887 -10.539 1.00 0.00 C ATOM 925 CG GLU A 59 -2.240 21.576 -9.820 1.00 0.00 C ATOM 926 CD GLU A 59 -2.532 21.850 -8.333 1.00 0.00 C ATOM 927 OE1 GLU A 59 -3.117 22.910 -8.011 1.00 0.00 O ATOM 928 OE2 GLU A 59 -2.163 21.015 -7.475 1.00 0.00 O ATOM 0 H GLU A 59 -1.963 18.920 -11.005 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.774 19.570 -8.906 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.189 20.816 -11.603 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.306 21.505 -10.441 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.351 20.950 -9.902 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.015 22.517 -10.321 1.00 0.00 H new ATOM 935 N ILE A 60 -5.105 18.330 -11.688 1.00 0.00 N ATOM 936 CA ILE A 60 -6.321 17.673 -12.175 1.00 0.00 C ATOM 937 C ILE A 60 -6.742 16.582 -11.182 1.00 0.00 C ATOM 938 O ILE A 60 -7.915 16.514 -10.819 1.00 0.00 O ATOM 939 CB ILE A 60 -6.132 17.117 -13.611 1.00 0.00 C ATOM 940 CG1 ILE A 60 -5.915 18.255 -14.633 1.00 0.00 C ATOM 941 CG2 ILE A 60 -7.332 16.259 -14.052 1.00 0.00 C ATOM 942 CD1 ILE A 60 -5.536 17.748 -16.033 1.00 0.00 C ATOM 0 H ILE A 60 -4.317 18.279 -12.333 1.00 0.00 H new ATOM 0 HA ILE A 60 -7.123 18.409 -12.239 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.242 16.488 -13.585 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.826 18.850 -14.703 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.129 18.917 -14.268 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -7.162 15.888 -15.063 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -7.447 15.416 -13.370 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -8.238 16.865 -14.036 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.398 18.597 -16.702 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.609 17.177 -15.975 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.332 17.109 -16.416 1.00 0.00 H new ATOM 954 N LEU A 61 -5.812 15.741 -10.714 1.00 0.00 N ATOM 955 CA LEU A 61 -6.144 14.660 -9.787 1.00 0.00 C ATOM 956 C LEU A 61 -6.662 15.229 -8.466 1.00 0.00 C ATOM 957 O LEU A 61 -7.589 14.672 -7.874 1.00 0.00 O ATOM 958 CB LEU A 61 -4.947 13.729 -9.524 1.00 0.00 C ATOM 959 CG LEU A 61 -4.363 12.973 -10.737 1.00 0.00 C ATOM 960 CD1 LEU A 61 -3.650 11.705 -10.261 1.00 0.00 C ATOM 961 CD2 LEU A 61 -5.397 12.612 -11.811 1.00 0.00 C ATOM 0 H LEU A 61 -4.824 15.791 -10.964 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.926 14.065 -10.258 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.148 14.323 -9.079 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.249 12.992 -8.780 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.662 13.660 -11.211 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.239 11.174 -11.120 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.842 11.975 -9.581 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.360 11.061 -9.742 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.904 12.084 -12.627 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.165 11.973 -11.376 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.857 13.523 -12.194 1.00 0.00 H new ATOM 973 N SER A 62 -6.094 16.350 -8.022 1.00 0.00 N ATOM 974 CA SER A 62 -6.528 17.035 -6.816 1.00 0.00 C ATOM 975 C SER A 62 -7.963 17.556 -6.986 1.00 0.00 C ATOM 976 O SER A 62 -8.784 17.379 -6.085 1.00 0.00 O ATOM 977 CB SER A 62 -5.544 18.164 -6.482 1.00 0.00 C ATOM 978 OG SER A 62 -4.212 17.673 -6.409 1.00 0.00 O ATOM 0 H SER A 62 -5.315 16.807 -8.496 1.00 0.00 H new ATOM 0 HA SER A 62 -6.535 16.336 -5.979 1.00 0.00 H new ATOM 0 HB2 SER A 62 -5.607 18.943 -7.242 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.819 18.622 -5.532 1.00 0.00 H new ATOM 0 HG SER A 62 -3.867 17.527 -7.315 1.00 0.00 H new ATOM 984 N GLU A 63 -8.307 18.129 -8.146 1.00 0.00 N ATOM 985 CA GLU A 63 -9.670 18.573 -8.445 1.00 0.00 C ATOM 986 C GLU A 63 -10.631 17.379 -8.549 1.00 0.00 C ATOM 987 O GLU A 63 -11.785 17.479 -8.129 1.00 0.00 O ATOM 988 CB GLU A 63 -9.697 19.407 -9.737 1.00 0.00 C ATOM 989 CG GLU A 63 -9.079 20.799 -9.543 1.00 0.00 C ATOM 990 CD GLU A 63 -9.209 21.655 -10.815 1.00 0.00 C ATOM 991 OE1 GLU A 63 -8.301 21.631 -11.677 1.00 0.00 O ATOM 992 OE2 GLU A 63 -10.218 22.384 -10.959 1.00 0.00 O ATOM 0 H GLU A 63 -7.645 18.297 -8.904 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.007 19.203 -7.622 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.155 18.877 -10.521 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.727 19.513 -10.077 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.571 21.304 -8.711 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.027 20.697 -9.277 1.00 0.00 H new ATOM 999 N MET A 64 -10.154 16.233 -9.048 1.00 0.00 N ATOM 1000 CA MET A 64 -10.888 14.966 -9.068 1.00 0.00 C ATOM 1001 C MET A 64 -11.030 14.345 -7.667 1.00 0.00 C ATOM 1002 O MET A 64 -11.690 13.314 -7.521 1.00 0.00 O ATOM 1003 CB MET A 64 -10.209 13.986 -10.042 1.00 0.00 C ATOM 1004 CG MET A 64 -10.439 14.359 -11.513 1.00 0.00 C ATOM 1005 SD MET A 64 -12.162 14.263 -12.086 1.00 0.00 S ATOM 1006 CE MET A 64 -12.472 12.483 -11.895 1.00 0.00 C ATOM 0 H MET A 64 -9.223 16.161 -9.459 1.00 0.00 H new ATOM 0 HA MET A 64 -11.900 15.174 -9.415 1.00 0.00 H new ATOM 0 HB2 MET A 64 -9.138 13.963 -9.840 1.00 0.00 H new ATOM 0 HB3 MET A 64 -10.589 12.980 -9.863 1.00 0.00 H new ATOM 0 HG2 MET A 64 -10.078 15.375 -11.673 1.00 0.00 H new ATOM 0 HG3 MET A 64 -9.831 13.703 -12.135 1.00 0.00 H new ATOM 0 HE1 MET A 64 -13.384 12.213 -12.428 1.00 0.00 H new ATOM 0 HE2 MET A 64 -11.633 11.921 -12.305 1.00 0.00 H new ATOM 0 HE3 MET A 64 -12.586 12.245 -10.837 1.00 0.00 H new ATOM 1016 N GLY A 65 -10.445 14.950 -6.628 1.00 0.00 N ATOM 1017 CA GLY A 65 -10.616 14.528 -5.245 1.00 0.00 C ATOM 1018 C GLY A 65 -9.765 13.311 -4.883 1.00 0.00 C ATOM 1019 O GLY A 65 -10.071 12.636 -3.898 1.00 0.00 O ATOM 0 H GLY A 65 -9.831 15.758 -6.732 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -10.357 15.355 -4.584 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -11.666 14.296 -5.069 1.00 0.00 H new ATOM 1023 N TYR A 66 -8.722 13.001 -5.662 1.00 0.00 N ATOM 1024 CA TYR A 66 -7.737 12.004 -5.259 1.00 0.00 C ATOM 1025 C TYR A 66 -6.957 12.526 -4.048 1.00 0.00 C ATOM 1026 O TYR A 66 -6.843 13.737 -3.833 1.00 0.00 O ATOM 1027 CB TYR A 66 -6.789 11.656 -6.416 1.00 0.00 C ATOM 1028 CG TYR A 66 -7.355 10.667 -7.416 1.00 0.00 C ATOM 1029 CD1 TYR A 66 -8.396 11.036 -8.290 1.00 0.00 C ATOM 1030 CD2 TYR A 66 -6.869 9.346 -7.429 1.00 0.00 C ATOM 1031 CE1 TYR A 66 -8.986 10.076 -9.133 1.00 0.00 C ATOM 1032 CE2 TYR A 66 -7.450 8.385 -8.270 1.00 0.00 C ATOM 1033 CZ TYR A 66 -8.532 8.736 -9.105 1.00 0.00 C ATOM 1034 OH TYR A 66 -9.150 7.785 -9.858 1.00 0.00 O ATOM 0 H TYR A 66 -8.543 13.427 -6.571 1.00 0.00 H new ATOM 0 HA TYR A 66 -8.256 11.086 -4.984 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -6.525 12.574 -6.941 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -5.866 11.248 -6.003 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -8.742 12.059 -8.313 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -6.044 9.071 -6.788 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -9.785 10.362 -9.801 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -7.068 7.375 -8.278 1.00 0.00 H new ATOM 0 HH TYR A 66 -8.809 6.900 -9.612 1.00 0.00 H new ATOM 1044 N THR A 67 -6.379 11.602 -3.285 1.00 0.00 N ATOM 1045 CA THR A 67 -5.555 11.873 -2.113 1.00 0.00 C ATOM 1046 C THR A 67 -4.309 10.978 -2.184 1.00 0.00 C ATOM 1047 O THR A 67 -4.262 10.041 -2.985 1.00 0.00 O ATOM 1048 CB THR A 67 -6.389 11.678 -0.827 1.00 0.00 C ATOM 1049 OG1 THR A 67 -7.282 10.582 -0.929 1.00 0.00 O ATOM 1050 CG2 THR A 67 -7.226 12.916 -0.492 1.00 0.00 C ATOM 0 H THR A 67 -6.477 10.605 -3.475 1.00 0.00 H new ATOM 0 HA THR A 67 -5.215 12.909 -2.092 1.00 0.00 H new ATOM 0 HB THR A 67 -5.658 11.493 -0.040 1.00 0.00 H new ATOM 0 HG1 THR A 67 -8.059 10.738 -0.352 1.00 0.00 H new ATOM 0 HG21 THR A 67 -7.796 12.734 0.419 1.00 0.00 H new ATOM 0 HG22 THR A 67 -6.567 13.771 -0.343 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.912 13.125 -1.313 1.00 0.00 H new ATOM 1058 N HIS A 68 -3.282 11.289 -1.380 1.00 0.00 N ATOM 1059 CA HIS A 68 -1.944 10.695 -1.477 1.00 0.00 C ATOM 1060 C HIS A 68 -1.376 10.786 -2.907 1.00 0.00 C ATOM 1061 O HIS A 68 -0.684 9.877 -3.373 1.00 0.00 O ATOM 1062 CB HIS A 68 -1.933 9.266 -0.897 1.00 0.00 C ATOM 1063 CG HIS A 68 -2.452 9.144 0.515 1.00 0.00 C ATOM 1064 ND1 HIS A 68 -3.431 8.278 0.943 1.00 0.00 N ATOM 1065 CD2 HIS A 68 -1.996 9.813 1.621 1.00 0.00 C ATOM 1066 CE1 HIS A 68 -3.563 8.417 2.272 1.00 0.00 C ATOM 1067 NE2 HIS A 68 -2.710 9.350 2.736 1.00 0.00 N ATOM 0 H HIS A 68 -3.362 11.975 -0.629 1.00 0.00 H new ATOM 0 HA HIS A 68 -1.263 11.282 -0.861 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.530 8.623 -1.544 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -0.912 8.887 -0.926 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -3.965 7.640 0.353 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -1.222 10.566 1.632 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -4.256 7.859 2.883 1.00 0.00 H new ATOM 1075 N VAL A 69 -1.679 11.878 -3.617 1.00 0.00 N ATOM 1076 CA VAL A 69 -1.074 12.180 -4.910 1.00 0.00 C ATOM 1077 C VAL A 69 0.234 12.924 -4.642 1.00 0.00 C ATOM 1078 O VAL A 69 0.313 13.758 -3.734 1.00 0.00 O ATOM 1079 CB VAL A 69 -2.026 13.017 -5.796 1.00 0.00 C ATOM 1080 CG1 VAL A 69 -1.484 13.135 -7.230 1.00 0.00 C ATOM 1081 CG2 VAL A 69 -3.434 12.411 -5.878 1.00 0.00 C ATOM 0 H VAL A 69 -2.354 12.577 -3.306 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.878 11.259 -5.458 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.084 13.998 -5.324 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -2.173 13.728 -7.832 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.508 13.620 -7.211 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.387 12.140 -7.665 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.063 13.036 -6.512 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.375 11.409 -6.302 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.866 12.357 -4.879 1.00 0.00 H new ATOM 1091 N GLU A 70 1.246 12.658 -5.461 1.00 0.00 N ATOM 1092 CA GLU A 70 2.509 13.366 -5.478 1.00 0.00 C ATOM 1093 C GLU A 70 3.000 13.397 -6.929 1.00 0.00 C ATOM 1094 O GLU A 70 2.655 12.517 -7.724 1.00 0.00 O ATOM 1095 CB GLU A 70 3.477 12.631 -4.532 1.00 0.00 C ATOM 1096 CG GLU A 70 4.879 13.241 -4.434 1.00 0.00 C ATOM 1097 CD GLU A 70 4.864 14.707 -3.961 1.00 0.00 C ATOM 1098 OE1 GLU A 70 4.585 15.606 -4.785 1.00 0.00 O ATOM 1099 OE2 GLU A 70 5.142 14.968 -2.768 1.00 0.00 O ATOM 0 H GLU A 70 1.201 11.913 -6.156 1.00 0.00 H new ATOM 0 HA GLU A 70 2.426 14.395 -5.129 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.038 12.607 -3.535 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.570 11.597 -4.864 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.480 12.648 -3.744 1.00 0.00 H new ATOM 0 HG3 GLU A 70 5.363 13.184 -5.409 1.00 0.00 H new ATOM 1106 N ASN A 71 3.811 14.399 -7.272 1.00 0.00 N ATOM 1107 CA ASN A 71 4.497 14.482 -8.554 1.00 0.00 C ATOM 1108 C ASN A 71 5.988 14.249 -8.326 1.00 0.00 C ATOM 1109 O ASN A 71 6.645 15.039 -7.645 1.00 0.00 O ATOM 1110 CB ASN A 71 4.257 15.846 -9.219 1.00 0.00 C ATOM 1111 CG ASN A 71 4.990 15.947 -10.553 1.00 0.00 C ATOM 1112 OD1 ASN A 71 5.434 14.950 -11.112 1.00 0.00 O ATOM 1113 ND2 ASN A 71 5.129 17.138 -11.105 1.00 0.00 N ATOM 0 H ASN A 71 4.010 15.186 -6.654 1.00 0.00 H new ATOM 0 HA ASN A 71 4.104 13.719 -9.226 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.189 15.994 -9.376 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.594 16.642 -8.555 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.608 17.232 -12.001 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.758 17.964 -10.636 1.00 0.00 H new ATOM 1120 N ALA A 72 6.521 13.164 -8.892 1.00 0.00 N ATOM 1121 CA ALA A 72 7.943 12.843 -8.838 1.00 0.00 C ATOM 1122 C ALA A 72 8.779 13.785 -9.720 1.00 0.00 C ATOM 1123 O ALA A 72 9.975 13.950 -9.482 1.00 0.00 O ATOM 1124 CB ALA A 72 8.135 11.395 -9.291 1.00 0.00 C ATOM 0 H ALA A 72 5.968 12.478 -9.406 1.00 0.00 H new ATOM 0 HA ALA A 72 8.289 12.972 -7.812 1.00 0.00 H new ATOM 0 HB1 ALA A 72 9.194 11.140 -9.256 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.580 10.730 -8.629 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.768 11.281 -10.311 1.00 0.00 H new ATOM 1130 N GLY A 73 8.165 14.392 -10.737 1.00 0.00 N ATOM 1131 CA GLY A 73 8.787 15.307 -11.676 1.00 0.00 C ATOM 1132 C GLY A 73 8.743 14.668 -13.051 1.00 0.00 C ATOM 1133 O GLY A 73 7.735 14.768 -13.755 1.00 0.00 O ATOM 0 H GLY A 73 7.174 14.247 -10.931 1.00 0.00 H new ATOM 0 HA2 GLY A 73 8.262 16.262 -11.682 1.00 0.00 H new ATOM 0 HA3 GLY A 73 9.817 15.512 -11.384 1.00 0.00 H new ATOM 1137 N GLY A 74 9.796 13.944 -13.417 1.00 0.00 N ATOM 1138 CA GLY A 74 9.915 13.304 -14.715 1.00 0.00 C ATOM 1139 C GLY A 74 10.732 12.029 -14.614 1.00 0.00 C ATOM 1140 O GLY A 74 11.261 11.722 -13.546 1.00 0.00 O ATOM 0 H GLY A 74 10.600 13.785 -12.809 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.923 13.076 -15.105 1.00 0.00 H new ATOM 0 HA3 GLY A 74 10.386 13.988 -15.421 1.00 0.00 H new ATOM 1144 N LEU A 75 10.831 11.293 -15.728 1.00 0.00 N ATOM 1145 CA LEU A 75 11.383 9.932 -15.798 1.00 0.00 C ATOM 1146 C LEU A 75 12.728 9.775 -15.077 1.00 0.00 C ATOM 1147 O LEU A 75 12.993 8.729 -14.485 1.00 0.00 O ATOM 1148 CB LEU A 75 11.512 9.525 -17.281 1.00 0.00 C ATOM 1149 CG LEU A 75 12.096 8.114 -17.519 1.00 0.00 C ATOM 1150 CD1 LEU A 75 11.238 7.020 -16.876 1.00 0.00 C ATOM 1151 CD2 LEU A 75 12.220 7.826 -19.015 1.00 0.00 C ATOM 0 H LEU A 75 10.519 11.639 -16.636 1.00 0.00 H new ATOM 0 HA LEU A 75 10.692 9.271 -15.274 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.527 9.578 -17.744 1.00 0.00 H new ATOM 0 HB3 LEU A 75 12.143 10.254 -17.789 1.00 0.00 H new ATOM 0 HG LEU A 75 13.081 8.102 -17.053 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.686 6.045 -17.069 1.00 0.00 H new ATOM 0 HD12 LEU A 75 11.182 7.187 -15.800 1.00 0.00 H new ATOM 0 HD13 LEU A 75 10.234 7.048 -17.301 1.00 0.00 H new ATOM 0 HD21 LEU A 75 12.633 6.828 -19.160 1.00 0.00 H new ATOM 0 HD22 LEU A 75 11.235 7.882 -19.479 1.00 0.00 H new ATOM 0 HD23 LEU A 75 12.880 8.562 -19.474 1.00 0.00 H new ATOM 1163 N LYS A 76 13.576 10.806 -15.122 1.00 0.00 N ATOM 1164 CA LYS A 76 14.912 10.770 -14.535 1.00 0.00 C ATOM 1165 C LYS A 76 14.869 10.639 -13.007 1.00 0.00 C ATOM 1166 O LYS A 76 15.826 10.127 -12.426 1.00 0.00 O ATOM 1167 CB LYS A 76 15.721 12.019 -14.940 1.00 0.00 C ATOM 1168 CG LYS A 76 15.817 12.252 -16.462 1.00 0.00 C ATOM 1169 CD LYS A 76 14.818 13.303 -16.978 1.00 0.00 C ATOM 1170 CE LYS A 76 14.865 13.385 -18.511 1.00 0.00 C ATOM 1171 NZ LYS A 76 14.015 14.480 -19.040 1.00 0.00 N ATOM 0 H LYS A 76 13.350 11.694 -15.571 1.00 0.00 H new ATOM 0 HA LYS A 76 15.408 9.882 -14.927 1.00 0.00 H new ATOM 0 HB2 LYS A 76 15.267 12.896 -14.479 1.00 0.00 H new ATOM 0 HB3 LYS A 76 16.729 11.931 -14.534 1.00 0.00 H new ATOM 0 HG2 LYS A 76 16.830 12.569 -16.711 1.00 0.00 H new ATOM 0 HG3 LYS A 76 15.642 11.309 -16.979 1.00 0.00 H new ATOM 0 HD2 LYS A 76 13.810 13.045 -16.653 1.00 0.00 H new ATOM 0 HD3 LYS A 76 15.052 14.277 -16.549 1.00 0.00 H new ATOM 0 HE2 LYS A 76 15.895 13.539 -18.834 1.00 0.00 H new ATOM 0 HE3 LYS A 76 14.537 12.436 -18.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.872 14.346 -20.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 13.094 14.469 -18.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 14.482 15.394 -18.873 1.00 0.00 H new ATOM 1185 N ASP A 77 13.807 11.117 -12.348 1.00 0.00 N ATOM 1186 CA ASP A 77 13.747 11.176 -10.888 1.00 0.00 C ATOM 1187 C ASP A 77 13.502 9.798 -10.276 1.00 0.00 C ATOM 1188 O ASP A 77 14.173 9.437 -9.308 1.00 0.00 O ATOM 1189 CB ASP A 77 12.638 12.127 -10.424 1.00 0.00 C ATOM 1190 CG ASP A 77 12.623 12.208 -8.885 1.00 0.00 C ATOM 1191 OD1 ASP A 77 13.408 13.003 -8.318 1.00 0.00 O ATOM 1192 OD2 ASP A 77 11.849 11.471 -8.235 1.00 0.00 O ATOM 0 H ASP A 77 12.970 11.471 -12.812 1.00 0.00 H new ATOM 0 HA ASP A 77 14.715 11.546 -10.549 1.00 0.00 H new ATOM 0 HB2 ASP A 77 12.797 13.119 -10.847 1.00 0.00 H new ATOM 0 HB3 ASP A 77 11.672 11.777 -10.787 1.00 0.00 H new ATOM 1197 N ILE A 78 12.547 9.040 -10.831 1.00 0.00 N ATOM 1198 CA ILE A 78 12.056 7.791 -10.252 1.00 0.00 C ATOM 1199 C ILE A 78 13.208 6.794 -10.093 1.00 0.00 C ATOM 1200 O ILE A 78 13.776 6.318 -11.081 1.00 0.00 O ATOM 1201 CB ILE A 78 10.877 7.208 -11.071 1.00 0.00 C ATOM 1202 CG1 ILE A 78 9.732 8.235 -11.233 1.00 0.00 C ATOM 1203 CG2 ILE A 78 10.328 5.951 -10.371 1.00 0.00 C ATOM 1204 CD1 ILE A 78 9.849 9.059 -12.518 1.00 0.00 C ATOM 0 H ILE A 78 12.089 9.285 -11.709 1.00 0.00 H new ATOM 0 HA ILE A 78 11.660 8.000 -9.258 1.00 0.00 H new ATOM 0 HB ILE A 78 11.256 6.955 -12.061 1.00 0.00 H new ATOM 0 HG12 ILE A 78 8.777 7.710 -11.229 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.730 8.907 -10.375 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.499 5.545 -10.951 1.00 0.00 H new ATOM 0 HG22 ILE A 78 11.118 5.204 -10.294 1.00 0.00 H new ATOM 0 HG23 ILE A 78 9.978 6.214 -9.373 1.00 0.00 H new ATOM 0 HD11 ILE A 78 9.018 9.762 -12.576 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.790 9.609 -12.513 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.822 8.393 -13.381 1.00 0.00 H new ATOM 1216 N ALA A 79 13.521 6.447 -8.843 1.00 0.00 N ATOM 1217 CA ALA A 79 14.588 5.530 -8.469 1.00 0.00 C ATOM 1218 C ALA A 79 14.082 4.078 -8.499 1.00 0.00 C ATOM 1219 O ALA A 79 14.184 3.359 -7.501 1.00 0.00 O ATOM 1220 CB ALA A 79 15.140 5.944 -7.097 1.00 0.00 C ATOM 0 H ALA A 79 13.016 6.814 -8.036 1.00 0.00 H new ATOM 0 HA ALA A 79 15.406 5.582 -9.187 1.00 0.00 H new ATOM 0 HB1 ALA A 79 15.940 5.264 -6.806 1.00 0.00 H new ATOM 0 HB2 ALA A 79 15.530 6.960 -7.153 1.00 0.00 H new ATOM 0 HB3 ALA A 79 14.342 5.902 -6.356 1.00 0.00 H new ATOM 1226 N MET A 80 13.501 3.648 -9.624 1.00 0.00 N ATOM 1227 CA MET A 80 13.084 2.262 -9.841 1.00 0.00 C ATOM 1228 C MET A 80 13.460 1.824 -11.267 1.00 0.00 C ATOM 1229 O MET A 80 13.745 2.695 -12.102 1.00 0.00 O ATOM 1230 CB MET A 80 11.588 2.075 -9.488 1.00 0.00 C ATOM 1231 CG MET A 80 10.610 2.037 -10.665 1.00 0.00 C ATOM 1232 SD MET A 80 8.897 1.648 -10.202 1.00 0.00 S ATOM 1233 CE MET A 80 9.030 -0.132 -9.870 1.00 0.00 C ATOM 0 H MET A 80 13.306 4.260 -10.416 1.00 0.00 H new ATOM 0 HA MET A 80 13.621 1.597 -9.165 1.00 0.00 H new ATOM 0 HB2 MET A 80 11.483 1.147 -8.927 1.00 0.00 H new ATOM 0 HB3 MET A 80 11.290 2.885 -8.823 1.00 0.00 H new ATOM 0 HG2 MET A 80 10.627 3.004 -11.168 1.00 0.00 H new ATOM 0 HG3 MET A 80 10.956 1.296 -11.386 1.00 0.00 H new ATOM 0 HE1 MET A 80 8.035 -0.548 -9.712 1.00 0.00 H new ATOM 0 HE2 MET A 80 9.499 -0.627 -10.720 1.00 0.00 H new ATOM 0 HE3 MET A 80 9.636 -0.291 -8.978 1.00 0.00 H new ATOM 1243 N PRO A 81 13.471 0.503 -11.550 1.00 0.00 N ATOM 1244 CA PRO A 81 13.737 -0.054 -12.873 1.00 0.00 C ATOM 1245 C PRO A 81 12.886 0.565 -13.983 1.00 0.00 C ATOM 1246 O PRO A 81 11.774 1.051 -13.751 1.00 0.00 O ATOM 1247 CB PRO A 81 13.467 -1.559 -12.761 1.00 0.00 C ATOM 1248 CG PRO A 81 13.736 -1.854 -11.290 1.00 0.00 C ATOM 1249 CD PRO A 81 13.248 -0.583 -10.600 1.00 0.00 C ATOM 0 HA PRO A 81 14.766 0.166 -13.158 1.00 0.00 H new ATOM 0 HB2 PRO A 81 12.443 -1.806 -13.040 1.00 0.00 H new ATOM 0 HB3 PRO A 81 14.123 -2.135 -13.414 1.00 0.00 H new ATOM 0 HG2 PRO A 81 13.193 -2.735 -10.948 1.00 0.00 H new ATOM 0 HG3 PRO A 81 14.794 -2.038 -11.100 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.193 -0.662 -10.339 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.794 -0.408 -9.673 1.00 0.00 H new ATOM 1257 N LYS A 82 13.391 0.492 -15.215 1.00 0.00 N ATOM 1258 CA LYS A 82 12.753 1.059 -16.398 1.00 0.00 C ATOM 1259 C LYS A 82 12.878 0.046 -17.528 1.00 0.00 C ATOM 1260 O LYS A 82 13.883 -0.666 -17.605 1.00 0.00 O ATOM 1261 CB LYS A 82 13.417 2.397 -16.778 1.00 0.00 C ATOM 1262 CG LYS A 82 13.233 3.476 -15.700 1.00 0.00 C ATOM 1263 CD LYS A 82 14.115 4.709 -15.942 1.00 0.00 C ATOM 1264 CE LYS A 82 13.994 5.695 -14.765 1.00 0.00 C ATOM 1265 NZ LYS A 82 14.577 5.162 -13.504 1.00 0.00 N ATOM 0 H LYS A 82 14.275 0.026 -15.420 1.00 0.00 H new ATOM 0 HA LYS A 82 11.701 1.265 -16.201 1.00 0.00 H new ATOM 0 HB2 LYS A 82 14.482 2.235 -16.946 1.00 0.00 H new ATOM 0 HB3 LYS A 82 12.996 2.753 -17.718 1.00 0.00 H new ATOM 0 HG2 LYS A 82 12.187 3.782 -15.672 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.467 3.052 -14.723 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.154 4.403 -16.063 1.00 0.00 H new ATOM 0 HD3 LYS A 82 13.818 5.200 -16.868 1.00 0.00 H new ATOM 0 HE2 LYS A 82 14.494 6.628 -15.025 1.00 0.00 H new ATOM 0 HE3 LYS A 82 12.943 5.932 -14.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.423 5.845 -12.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 14.119 4.260 -13.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.598 5.008 -13.631 1.00 0.00 H new ATOM 1279 N VAL A 83 11.871 -0.025 -18.392 1.00 0.00 N ATOM 1280 CA VAL A 83 11.723 -1.042 -19.419 1.00 0.00 C ATOM 1281 C VAL A 83 11.172 -0.382 -20.684 1.00 0.00 C ATOM 1282 O VAL A 83 10.494 0.644 -20.599 1.00 0.00 O ATOM 1283 CB VAL A 83 10.782 -2.148 -18.896 1.00 0.00 C ATOM 1284 CG1 VAL A 83 11.484 -3.059 -17.877 1.00 0.00 C ATOM 1285 CG2 VAL A 83 9.479 -1.624 -18.267 1.00 0.00 C ATOM 0 H VAL A 83 11.108 0.652 -18.394 1.00 0.00 H new ATOM 0 HA VAL A 83 12.682 -1.500 -19.661 1.00 0.00 H new ATOM 0 HB VAL A 83 10.514 -2.713 -19.789 1.00 0.00 H new ATOM 0 HG11 VAL A 83 10.788 -3.824 -17.533 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.344 -3.536 -18.347 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.818 -2.464 -17.027 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.876 -2.465 -17.926 1.00 0.00 H new ATOM 0 HG22 VAL A 83 9.717 -0.981 -17.420 1.00 0.00 H new ATOM 0 HG23 VAL A 83 8.920 -1.054 -19.009 1.00 0.00 H new ATOM 1295 N LYS A 84 11.474 -0.945 -21.858 1.00 0.00 N ATOM 1296 CA LYS A 84 10.941 -0.464 -23.135 1.00 0.00 C ATOM 1297 C LYS A 84 9.433 -0.720 -23.237 1.00 0.00 C ATOM 1298 O LYS A 84 8.888 -1.549 -22.503 1.00 0.00 O ATOM 1299 CB LYS A 84 11.717 -1.084 -24.312 1.00 0.00 C ATOM 1300 CG LYS A 84 11.621 -2.619 -24.396 1.00 0.00 C ATOM 1301 CD LYS A 84 12.321 -3.196 -25.637 1.00 0.00 C ATOM 1302 CE LYS A 84 13.840 -2.966 -25.611 1.00 0.00 C ATOM 1303 NZ LYS A 84 14.519 -3.577 -26.781 1.00 0.00 N ATOM 0 H LYS A 84 12.096 -1.748 -21.949 1.00 0.00 H new ATOM 0 HA LYS A 84 11.081 0.616 -23.184 1.00 0.00 H new ATOM 0 HB2 LYS A 84 11.344 -0.657 -25.243 1.00 0.00 H new ATOM 0 HB3 LYS A 84 12.766 -0.801 -24.229 1.00 0.00 H new ATOM 0 HG2 LYS A 84 12.063 -3.055 -23.500 1.00 0.00 H new ATOM 0 HG3 LYS A 84 10.571 -2.912 -24.408 1.00 0.00 H new ATOM 0 HD2 LYS A 84 12.119 -4.265 -25.701 1.00 0.00 H new ATOM 0 HD3 LYS A 84 11.902 -2.738 -26.533 1.00 0.00 H new ATOM 0 HE2 LYS A 84 14.044 -1.895 -25.593 1.00 0.00 H new ATOM 0 HE3 LYS A 84 14.254 -3.384 -24.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 15.542 -3.397 -26.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 14.348 -4.603 -26.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 14.144 -3.160 -27.657 1.00 0.00 H new ATOM 1317 N GLY A 85 8.779 -0.014 -24.163 1.00 0.00 N ATOM 1318 CA GLY A 85 7.383 -0.214 -24.533 1.00 0.00 C ATOM 1319 C GLY A 85 7.120 -1.681 -24.852 1.00 0.00 C ATOM 1320 O GLY A 85 7.858 -2.251 -25.682 1.00 0.00 O ATOM 1321 OXT GLY A 85 6.163 -2.252 -24.291 1.00 0.00 O ATOM 0 H GLY A 85 9.225 0.736 -24.691 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.735 0.109 -23.718 1.00 0.00 H new ATOM 0 HA3 GLY A 85 7.138 0.402 -25.398 1.00 0.00 H new TER 1325 GLY A 85