USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 840 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 40 THR OG1 : rot 180:sc= 0.531 USER MOD Set 1.2: A 41 ASN : amide:sc= -0.814 K(o=-0.28,f=-6.1!) USER MOD Single : A 3 THR OG1 : rot -35:sc= 0.0771 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 64:sc= -0.027 USER MOD Single : A 6 ASN : amide:sc= -1.65! K(o=-1.7!,f=-0.3) USER MOD Single : A 8 LYS NZ :NH3+ -124:sc= 0.203 (180deg=-0.31) USER MOD Single : A 10 THR OG1 : rot 165:sc= -1.26 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -160:sc= -0.07 (180deg=-0.545) USER MOD Single : A 28 TYR OH : rot 36:sc= -1.1! USER MOD Single : A 32 THR OG1 : rot -53:sc= 1.09 USER MOD Single : A 35 LYS NZ :NH3+ -169:sc= 0.0892 (180deg=-0.0678) USER MOD Single : A 37 MET CE :methyl -177:sc= -2.58 (180deg=-2.73) USER MOD Single : A 39 MET CE :methyl 163:sc= -0.103 (180deg=-0.568) USER MOD Single : A 48 LYS NZ :NH3+ -166:sc= -0.0282 (180deg=-0.328) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= -0.0338 USER MOD Single : A 58 SER OG : rot -9:sc= 0.153 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.117 USER MOD Single : A 67 GLN : amide:sc= -0.0443 K(o=-0.044,f=-0.55) USER MOD Single : A 69 ASN : amide:sc= -0.0351 X(o=-0.035,f=-0.12) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -2.01! C(o=-2!,f=-4!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -135:sc= 0.151 (180deg=-0.00778) USER MOD Single : A 79 THR OG1 : rot 62:sc= 0.213 USER MOD Single : A 80 ASN : amide:sc= -0.966 X(o=-0.97,f=-0.75) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 THR OG1 : rot -64:sc= 1.22 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 76:sc= 0.00537 USER MOD Single : A 94 LYS NZ :NH3+ -162:sc= -0.788 (180deg=-1.69) USER MOD Single : A 95 LYS NZ :NH3+ -163:sc= -0.0743 (180deg=-0.402) USER MOD Single : A 96 GLN : amide:sc= -0.226 K(o=-0.23,f=-1.6) USER MOD Single : A 97 TYR OH : rot 180:sc= -0.42 USER MOD Single : A 99 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 100 CYS SG : rot 20:sc= -1.12 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0135) USER MOD ----------------------------------------------------------------- ATOM 25 N THR A 3 -14.213 -8.496 -4.506 1.00 1.12 N ATOM 26 CA THR A 3 -13.468 -9.749 -4.534 1.00 0.81 C ATOM 27 C THR A 3 -12.116 -9.567 -5.215 1.00 0.72 C ATOM 28 O THR A 3 -11.816 -8.494 -5.739 1.00 0.87 O ATOM 29 CB THR A 3 -14.254 -10.856 -5.262 1.00 2.03 C ATOM 30 OG1 THR A 3 -14.579 -10.436 -6.592 1.00 2.79 O ATOM 31 CG2 THR A 3 -15.529 -11.203 -4.508 1.00 2.21 C ATOM 0 HA THR A 3 -13.313 -10.049 -3.497 1.00 0.81 H new ATOM 0 HB THR A 3 -13.625 -11.745 -5.307 1.00 2.03 H new ATOM 0 HG1 THR A 3 -14.766 -9.474 -6.595 1.00 2.79 H new ATOM 0 HG21 THR A 3 -16.066 -11.987 -5.042 1.00 2.21 H new ATOM 0 HG22 THR A 3 -15.276 -11.554 -3.507 1.00 2.21 H new ATOM 0 HG23 THR A 3 -16.160 -10.317 -4.433 1.00 2.21 H new ATOM 39 N THR A 4 -11.303 -10.619 -5.204 1.00 0.63 N ATOM 40 CA THR A 4 -9.982 -10.568 -5.819 1.00 0.58 C ATOM 41 C THR A 4 -10.019 -11.062 -7.260 1.00 0.56 C ATOM 42 O THR A 4 -10.838 -11.904 -7.624 1.00 0.75 O ATOM 43 CB THR A 4 -8.957 -11.412 -5.035 1.00 0.73 C ATOM 44 OG1 THR A 4 -9.363 -12.784 -5.021 1.00 0.93 O ATOM 45 CG2 THR A 4 -8.816 -10.905 -3.607 1.00 0.89 C ATOM 0 H THR A 4 -11.536 -11.515 -4.777 1.00 0.63 H new ATOM 0 HA THR A 4 -9.676 -9.522 -5.801 1.00 0.58 H new ATOM 0 HB THR A 4 -7.991 -11.324 -5.531 1.00 0.73 H new ATOM 0 HG1 THR A 4 -8.706 -13.314 -4.523 1.00 0.93 H new ATOM 0 HG21 THR A 4 -8.088 -11.516 -3.074 1.00 0.89 H new ATOM 0 HG22 THR A 4 -8.479 -9.868 -3.621 1.00 0.89 H new ATOM 0 HG23 THR A 4 -9.780 -10.967 -3.102 1.00 0.89 H new ATOM 53 N THR A 5 -9.117 -10.523 -8.070 1.00 0.47 N ATOM 54 CA THR A 5 -9.007 -10.890 -9.475 1.00 0.52 C ATOM 55 C THR A 5 -8.485 -12.320 -9.616 1.00 0.69 C ATOM 56 O THR A 5 -8.455 -12.880 -10.714 1.00 1.62 O ATOM 57 CB THR A 5 -8.076 -9.890 -10.207 1.00 0.43 C ATOM 58 OG1 THR A 5 -8.823 -8.730 -10.577 1.00 0.49 O ATOM 59 CG2 THR A 5 -7.424 -10.484 -11.448 1.00 0.50 C ATOM 0 H THR A 5 -8.442 -9.819 -7.771 1.00 0.47 H new ATOM 0 HA THR A 5 -9.996 -10.846 -9.932 1.00 0.52 H new ATOM 0 HB THR A 5 -7.275 -9.633 -9.514 1.00 0.43 H new ATOM 0 HG1 THR A 5 -9.143 -8.276 -9.770 1.00 0.49 H new ATOM 0 HG21 THR A 5 -6.784 -9.736 -11.916 1.00 0.50 H new ATOM 0 HG22 THR A 5 -6.824 -11.349 -11.165 1.00 0.50 H new ATOM 0 HG23 THR A 5 -8.196 -10.793 -12.152 1.00 0.50 H new ATOM 67 N ASN A 6 -8.108 -12.912 -8.482 1.00 0.63 N ATOM 68 CA ASN A 6 -7.567 -14.268 -8.449 1.00 0.68 C ATOM 69 C ASN A 6 -6.150 -14.285 -9.001 1.00 0.57 C ATOM 70 O ASN A 6 -5.522 -15.340 -9.099 1.00 0.62 O ATOM 71 CB ASN A 6 -8.457 -15.247 -9.224 1.00 0.82 C ATOM 72 CG ASN A 6 -9.412 -16.005 -8.321 1.00 1.42 C ATOM 73 OD1 ASN A 6 -10.543 -16.302 -8.708 1.00 2.05 O ATOM 74 ND2 ASN A 6 -8.961 -16.326 -7.114 1.00 2.12 N ATOM 0 H ASN A 6 -8.169 -12.467 -7.566 1.00 0.63 H new ATOM 0 HA ASN A 6 -7.545 -14.594 -7.409 1.00 0.68 H new ATOM 0 HB2 ASN A 6 -9.029 -14.698 -9.973 1.00 0.82 H new ATOM 0 HB3 ASN A 6 -7.828 -15.958 -9.760 1.00 0.82 H new ATOM 0 HD21 ASN A 6 -9.559 -16.839 -6.466 1.00 2.12 H new ATOM 0 HD22 ASN A 6 -8.017 -16.060 -6.835 1.00 2.12 H new ATOM 81 N GLU A 7 -5.650 -13.105 -9.364 1.00 0.47 N ATOM 82 CA GLU A 7 -4.297 -12.979 -9.886 1.00 0.40 C ATOM 83 C GLU A 7 -3.356 -12.502 -8.795 1.00 0.42 C ATOM 84 O GLU A 7 -3.393 -11.337 -8.395 1.00 0.50 O ATOM 85 CB GLU A 7 -4.250 -11.999 -11.058 1.00 0.37 C ATOM 86 CG GLU A 7 -3.752 -12.619 -12.353 1.00 0.42 C ATOM 87 CD GLU A 7 -4.589 -13.804 -12.794 1.00 0.94 C ATOM 88 OE1 GLU A 7 -5.573 -13.593 -13.534 1.00 0.85 O ATOM 89 OE2 GLU A 7 -4.260 -14.943 -12.401 1.00 1.65 O ATOM 0 H GLU A 7 -6.163 -12.226 -9.305 1.00 0.47 H new ATOM 0 HA GLU A 7 -3.982 -13.962 -10.237 1.00 0.40 H new ATOM 0 HB2 GLU A 7 -5.248 -11.592 -11.220 1.00 0.37 H new ATOM 0 HB3 GLU A 7 -3.604 -11.162 -10.794 1.00 0.37 H new ATOM 0 HG2 GLU A 7 -3.757 -11.863 -13.138 1.00 0.42 H new ATOM 0 HG3 GLU A 7 -2.718 -12.938 -12.224 1.00 0.42 H new ATOM 96 N LYS A 8 -2.514 -13.401 -8.315 1.00 0.40 N ATOM 97 CA LYS A 8 -1.558 -13.060 -7.278 1.00 0.44 C ATOM 98 C LYS A 8 -0.475 -12.163 -7.854 1.00 0.41 C ATOM 99 O LYS A 8 -0.170 -11.110 -7.303 1.00 0.45 O ATOM 100 CB LYS A 8 -0.960 -14.342 -6.675 1.00 0.55 C ATOM 101 CG LYS A 8 0.553 -14.329 -6.495 1.00 0.60 C ATOM 102 CD LYS A 8 0.977 -13.450 -5.330 1.00 0.58 C ATOM 103 CE LYS A 8 2.489 -13.412 -5.177 1.00 0.70 C ATOM 104 NZ LYS A 8 3.054 -14.754 -4.870 1.00 1.44 N ATOM 0 H LYS A 8 -2.474 -14.371 -8.627 1.00 0.40 H new ATOM 0 HA LYS A 8 -2.062 -12.515 -6.479 1.00 0.44 H new ATOM 0 HB2 LYS A 8 -1.424 -14.519 -5.705 1.00 0.55 H new ATOM 0 HB3 LYS A 8 -1.227 -15.184 -7.314 1.00 0.55 H new ATOM 0 HG2 LYS A 8 0.908 -15.346 -6.330 1.00 0.60 H new ATOM 0 HG3 LYS A 8 1.025 -13.971 -7.410 1.00 0.60 H new ATOM 0 HD2 LYS A 8 0.601 -12.438 -5.481 1.00 0.58 H new ATOM 0 HD3 LYS A 8 0.527 -13.823 -4.410 1.00 0.58 H new ATOM 0 HE2 LYS A 8 2.937 -13.032 -6.095 1.00 0.70 H new ATOM 0 HE3 LYS A 8 2.755 -12.716 -4.381 1.00 0.70 H new ATOM 0 HZ1 LYS A 8 3.606 -14.705 -3.990 1.00 1.44 H new ATOM 0 HZ2 LYS A 8 2.280 -15.439 -4.756 1.00 1.44 H new ATOM 0 HZ3 LYS A 8 3.672 -15.057 -5.650 1.00 1.44 H new ATOM 118 N ILE A 9 0.070 -12.579 -8.990 1.00 0.42 N ATOM 119 CA ILE A 9 1.137 -11.842 -9.656 1.00 0.43 C ATOM 120 C ILE A 9 0.602 -10.724 -10.552 1.00 0.36 C ATOM 121 O ILE A 9 -0.572 -10.359 -10.477 1.00 0.32 O ATOM 122 CB ILE A 9 1.999 -12.792 -10.515 1.00 0.49 C ATOM 123 CG1 ILE A 9 1.295 -13.129 -11.841 1.00 0.53 C ATOM 124 CG2 ILE A 9 2.312 -14.065 -9.746 1.00 0.62 C ATOM 125 CD1 ILE A 9 -0.143 -13.592 -11.685 1.00 0.51 C ATOM 0 H ILE A 9 -0.213 -13.431 -9.474 1.00 0.42 H new ATOM 0 HA ILE A 9 1.740 -11.393 -8.867 1.00 0.43 H new ATOM 0 HB ILE A 9 2.934 -12.282 -10.747 1.00 0.49 H new ATOM 0 HG12 ILE A 9 1.313 -12.248 -12.483 1.00 0.53 H new ATOM 0 HG13 ILE A 9 1.862 -13.907 -12.352 1.00 0.53 H new ATOM 0 HG21 ILE A 9 2.920 -14.724 -10.365 1.00 0.62 H new ATOM 0 HG22 ILE A 9 2.858 -13.816 -8.836 1.00 0.62 H new ATOM 0 HG23 ILE A 9 1.382 -14.570 -9.484 1.00 0.62 H new ATOM 0 HD11 ILE A 9 -0.564 -13.808 -12.667 1.00 0.51 H new ATOM 0 HD12 ILE A 9 -0.171 -14.493 -11.072 1.00 0.51 H new ATOM 0 HD13 ILE A 9 -0.728 -12.808 -11.204 1.00 0.51 H new ATOM 137 N THR A 10 1.483 -10.183 -11.405 1.00 0.38 N ATOM 138 CA THR A 10 1.107 -9.111 -12.324 1.00 0.36 C ATOM 139 C THR A 10 2.138 -8.895 -13.432 1.00 0.42 C ATOM 140 O THR A 10 1.797 -8.376 -14.481 1.00 0.57 O ATOM 141 CB THR A 10 0.881 -7.780 -11.592 1.00 0.37 C ATOM 142 OG1 THR A 10 1.363 -6.699 -12.380 1.00 0.34 O ATOM 143 CG2 THR A 10 1.573 -7.764 -10.243 1.00 0.39 C ATOM 0 H THR A 10 2.459 -10.473 -11.474 1.00 0.38 H new ATOM 0 HA THR A 10 0.172 -9.438 -12.778 1.00 0.36 H new ATOM 0 HB THR A 10 -0.192 -7.671 -11.431 1.00 0.37 H new ATOM 0 HG1 THR A 10 1.007 -5.855 -12.031 1.00 0.34 H new ATOM 0 HG21 THR A 10 1.392 -6.807 -9.753 1.00 0.39 H new ATOM 0 HG22 THR A 10 1.180 -8.570 -9.623 1.00 0.39 H new ATOM 0 HG23 THR A 10 2.645 -7.903 -10.382 1.00 0.39 H new ATOM 151 N LYS A 11 3.386 -9.308 -13.230 1.00 0.43 N ATOM 152 CA LYS A 11 4.403 -9.123 -14.272 1.00 0.52 C ATOM 153 C LYS A 11 3.951 -9.835 -15.538 1.00 0.54 C ATOM 154 O LYS A 11 4.378 -9.513 -16.647 1.00 0.65 O ATOM 155 CB LYS A 11 5.761 -9.665 -13.816 1.00 0.61 C ATOM 156 CG LYS A 11 6.890 -9.385 -14.799 1.00 0.71 C ATOM 157 CD LYS A 11 7.656 -10.651 -15.149 1.00 1.08 C ATOM 158 CE LYS A 11 6.801 -11.617 -15.952 1.00 0.69 C ATOM 159 NZ LYS A 11 7.541 -12.864 -16.294 1.00 1.09 N ATOM 0 H LYS A 11 3.717 -9.762 -12.379 1.00 0.43 H new ATOM 0 HA LYS A 11 4.519 -8.057 -14.469 1.00 0.52 H new ATOM 0 HB2 LYS A 11 6.013 -9.225 -12.851 1.00 0.61 H new ATOM 0 HB3 LYS A 11 5.681 -10.741 -13.664 1.00 0.61 H new ATOM 0 HG2 LYS A 11 6.481 -8.944 -15.708 1.00 0.71 H new ATOM 0 HG3 LYS A 11 7.574 -8.653 -14.369 1.00 0.71 H new ATOM 0 HD2 LYS A 11 8.547 -10.392 -15.720 1.00 1.08 H new ATOM 0 HD3 LYS A 11 7.994 -11.137 -14.234 1.00 1.08 H new ATOM 0 HE2 LYS A 11 5.907 -11.870 -15.382 1.00 0.69 H new ATOM 0 HE3 LYS A 11 6.467 -11.130 -16.868 1.00 0.69 H new ATOM 0 HZ1 LYS A 11 6.922 -13.496 -16.842 1.00 1.09 H new ATOM 0 HZ2 LYS A 11 8.380 -12.625 -16.860 1.00 1.09 H new ATOM 0 HZ3 LYS A 11 7.838 -13.343 -15.420 1.00 1.09 H new ATOM 173 N LEU A 12 3.079 -10.809 -15.339 1.00 0.56 N ATOM 174 CA LEU A 12 2.506 -11.595 -16.418 1.00 0.72 C ATOM 175 C LEU A 12 1.743 -10.721 -17.418 1.00 0.94 C ATOM 176 O LEU A 12 1.667 -11.054 -18.602 1.00 1.09 O ATOM 177 CB LEU A 12 1.577 -12.667 -15.843 1.00 0.85 C ATOM 178 CG LEU A 12 2.273 -13.924 -15.311 1.00 1.76 C ATOM 179 CD1 LEU A 12 1.249 -14.918 -14.789 1.00 2.45 C ATOM 180 CD2 LEU A 12 3.129 -14.566 -16.396 1.00 2.34 C ATOM 0 H LEU A 12 2.746 -11.079 -14.414 1.00 0.56 H new ATOM 0 HA LEU A 12 3.327 -12.070 -16.956 1.00 0.72 H new ATOM 0 HB2 LEU A 12 0.996 -12.224 -15.034 1.00 0.85 H new ATOM 0 HB3 LEU A 12 0.870 -12.964 -16.617 1.00 0.85 H new ATOM 0 HG LEU A 12 2.924 -13.631 -14.488 1.00 1.76 H new ATOM 0 HD11 LEU A 12 1.761 -15.805 -14.415 1.00 2.45 H new ATOM 0 HD12 LEU A 12 0.677 -14.461 -13.981 1.00 2.45 H new ATOM 0 HD13 LEU A 12 0.573 -15.202 -15.596 1.00 2.45 H new ATOM 0 HD21 LEU A 12 3.614 -15.457 -15.997 1.00 2.34 H new ATOM 0 HD22 LEU A 12 2.498 -14.844 -17.240 1.00 2.34 H new ATOM 0 HD23 LEU A 12 3.888 -13.857 -16.728 1.00 2.34 H new ATOM 261 N GLU A 18 8.235 -2.495 -20.936 1.00 1.16 N ATOM 262 CA GLU A 18 8.211 -1.961 -19.577 1.00 0.97 C ATOM 263 C GLU A 18 8.904 -2.908 -18.604 1.00 0.88 C ATOM 264 O GLU A 18 8.288 -3.391 -17.656 1.00 0.81 O ATOM 265 CB GLU A 18 6.769 -1.714 -19.131 1.00 0.88 C ATOM 266 CG GLU A 18 6.043 -0.676 -19.971 1.00 1.36 C ATOM 267 CD GLU A 18 6.741 0.670 -19.963 1.00 1.94 C ATOM 268 OE1 GLU A 18 7.178 1.104 -18.878 1.00 2.69 O ATOM 269 OE2 GLU A 18 6.856 1.285 -21.044 1.00 2.24 O ATOM 0 HA GLU A 18 8.752 -1.015 -19.576 1.00 0.97 H new ATOM 0 HB2 GLU A 18 6.218 -2.654 -19.173 1.00 0.88 H new ATOM 0 HB3 GLU A 18 6.769 -1.391 -18.090 1.00 0.88 H new ATOM 0 HG2 GLU A 18 5.964 -1.035 -20.997 1.00 1.36 H new ATOM 0 HG3 GLU A 18 5.026 -0.557 -19.596 1.00 1.36 H new ATOM 276 N PRO A 19 10.203 -3.188 -18.825 1.00 0.92 N ATOM 277 CA PRO A 19 10.969 -4.069 -17.946 1.00 0.87 C ATOM 278 C PRO A 19 11.181 -3.434 -16.583 1.00 0.77 C ATOM 279 O PRO A 19 11.362 -4.126 -15.582 1.00 0.77 O ATOM 280 CB PRO A 19 12.302 -4.242 -18.679 1.00 0.98 C ATOM 281 CG PRO A 19 12.422 -3.024 -19.527 1.00 1.05 C ATOM 282 CD PRO A 19 11.023 -2.674 -19.940 1.00 1.05 C ATOM 0 HA PRO A 19 10.462 -5.015 -17.756 1.00 0.87 H new ATOM 0 HB2 PRO A 19 13.133 -4.321 -17.978 1.00 0.98 H new ATOM 0 HB3 PRO A 19 12.308 -5.149 -19.284 1.00 0.98 H new ATOM 0 HG2 PRO A 19 12.882 -2.206 -18.973 1.00 1.05 H new ATOM 0 HG3 PRO A 19 13.051 -3.214 -20.397 1.00 1.05 H new ATOM 0 HD2 PRO A 19 10.898 -1.599 -20.069 1.00 1.05 H new ATOM 0 HD3 PRO A 19 10.754 -3.142 -20.887 1.00 1.05 H new ATOM 290 N GLU A 20 11.151 -2.106 -16.556 1.00 0.72 N ATOM 291 CA GLU A 20 11.331 -1.364 -15.320 1.00 0.64 C ATOM 292 C GLU A 20 10.104 -1.510 -14.431 1.00 0.56 C ATOM 293 O GLU A 20 10.221 -1.845 -13.253 1.00 0.46 O ATOM 294 CB GLU A 20 11.593 0.113 -15.618 1.00 0.65 C ATOM 295 CG GLU A 20 12.759 0.344 -16.566 1.00 0.74 C ATOM 296 CD GLU A 20 12.914 1.802 -16.955 1.00 1.61 C ATOM 297 OE1 GLU A 20 12.267 2.227 -17.934 1.00 2.56 O ATOM 298 OE2 GLU A 20 13.684 2.516 -16.278 1.00 1.54 O ATOM 0 H GLU A 20 11.003 -1.523 -17.380 1.00 0.72 H new ATOM 0 HA GLU A 20 12.194 -1.773 -14.795 1.00 0.64 H new ATOM 0 HB2 GLU A 20 10.693 0.554 -16.047 1.00 0.65 H new ATOM 0 HB3 GLU A 20 11.788 0.635 -14.681 1.00 0.65 H new ATOM 0 HG2 GLU A 20 13.679 -0.003 -16.096 1.00 0.74 H new ATOM 0 HG3 GLU A 20 12.616 -0.255 -17.465 1.00 0.74 H new ATOM 305 N ARG A 21 8.926 -1.258 -14.997 1.00 0.61 N ATOM 306 CA ARG A 21 7.687 -1.383 -14.238 1.00 0.55 C ATOM 307 C ARG A 21 7.389 -2.843 -13.940 1.00 0.49 C ATOM 308 O ARG A 21 6.822 -3.161 -12.896 1.00 0.40 O ATOM 309 CB ARG A 21 6.515 -0.722 -14.965 1.00 0.63 C ATOM 310 CG ARG A 21 6.175 0.661 -14.420 1.00 0.78 C ATOM 311 CD ARG A 21 7.184 1.706 -14.869 1.00 1.54 C ATOM 312 NE ARG A 21 6.952 2.139 -16.244 1.00 2.01 N ATOM 313 CZ ARG A 21 7.234 3.361 -16.687 1.00 2.86 C ATOM 314 NH1 ARG A 21 7.760 4.262 -15.869 1.00 3.36 N ATOM 315 NH2 ARG A 21 6.988 3.683 -17.950 1.00 3.57 N ATOM 0 H ARG A 21 8.805 -0.969 -15.968 1.00 0.61 H new ATOM 0 HA ARG A 21 7.821 -0.859 -13.292 1.00 0.55 H new ATOM 0 HB2 ARG A 21 6.753 -0.639 -16.025 1.00 0.63 H new ATOM 0 HB3 ARG A 21 5.637 -1.363 -14.885 1.00 0.63 H new ATOM 0 HG2 ARG A 21 5.179 0.949 -14.755 1.00 0.78 H new ATOM 0 HG3 ARG A 21 6.147 0.626 -13.331 1.00 0.78 H new ATOM 0 HD2 ARG A 21 7.132 2.568 -14.204 1.00 1.54 H new ATOM 0 HD3 ARG A 21 8.191 1.297 -14.783 1.00 1.54 H new ATOM 0 HE ARG A 21 6.552 1.468 -16.900 1.00 2.01 H new ATOM 0 HH11 ARG A 21 7.950 4.019 -14.897 1.00 3.36 H new ATOM 0 HH12 ARG A 21 7.975 5.198 -16.212 1.00 3.36 H new ATOM 0 HH21 ARG A 21 6.582 2.993 -18.582 1.00 3.57 H new ATOM 0 HH22 ARG A 21 7.205 4.620 -18.289 1.00 3.57 H new ATOM 329 N LYS A 22 7.759 -3.733 -14.858 1.00 0.56 N ATOM 330 CA LYS A 22 7.537 -5.155 -14.644 1.00 0.54 C ATOM 331 C LYS A 22 8.478 -5.653 -13.551 1.00 0.48 C ATOM 332 O LYS A 22 8.118 -6.512 -12.746 1.00 0.44 O ATOM 333 CB LYS A 22 7.722 -5.945 -15.947 1.00 0.68 C ATOM 334 CG LYS A 22 9.087 -6.594 -16.104 1.00 0.64 C ATOM 335 CD LYS A 22 9.265 -7.166 -17.501 1.00 0.72 C ATOM 336 CE LYS A 22 10.622 -7.831 -17.664 1.00 0.79 C ATOM 337 NZ LYS A 22 10.846 -8.298 -19.060 1.00 1.43 N ATOM 0 H LYS A 22 8.207 -3.497 -15.743 1.00 0.56 H new ATOM 0 HA LYS A 22 6.508 -5.313 -14.321 1.00 0.54 H new ATOM 0 HB2 LYS A 22 6.957 -6.720 -15.998 1.00 0.68 H new ATOM 0 HB3 LYS A 22 7.554 -5.275 -16.790 1.00 0.68 H new ATOM 0 HG2 LYS A 22 9.867 -5.859 -15.907 1.00 0.64 H new ATOM 0 HG3 LYS A 22 9.203 -7.387 -15.366 1.00 0.64 H new ATOM 0 HD2 LYS A 22 8.477 -7.892 -17.701 1.00 0.72 H new ATOM 0 HD3 LYS A 22 9.159 -6.369 -18.237 1.00 0.72 H new ATOM 0 HE2 LYS A 22 11.407 -7.128 -17.386 1.00 0.79 H new ATOM 0 HE3 LYS A 22 10.696 -8.678 -16.981 1.00 0.79 H new ATOM 0 HZ1 LYS A 22 11.782 -8.746 -19.130 1.00 1.43 H new ATOM 0 HZ2 LYS A 22 10.112 -8.988 -19.317 1.00 1.43 H new ATOM 0 HZ3 LYS A 22 10.801 -7.487 -19.709 1.00 1.43 H new ATOM 351 N MET A 23 9.690 -5.101 -13.518 1.00 0.50 N ATOM 352 CA MET A 23 10.647 -5.480 -12.492 1.00 0.48 C ATOM 353 C MET A 23 10.140 -4.995 -11.143 1.00 0.39 C ATOM 354 O MET A 23 10.096 -5.753 -10.175 1.00 0.38 O ATOM 355 CB MET A 23 12.026 -4.885 -12.783 1.00 0.54 C ATOM 356 CG MET A 23 13.037 -5.118 -11.671 1.00 0.56 C ATOM 357 SD MET A 23 14.666 -4.448 -12.057 1.00 1.25 S ATOM 358 CE MET A 23 15.142 -5.489 -13.435 1.00 1.23 C ATOM 0 H MET A 23 10.025 -4.401 -14.181 1.00 0.50 H new ATOM 0 HA MET A 23 10.748 -6.565 -12.482 1.00 0.48 H new ATOM 0 HB2 MET A 23 12.410 -5.315 -13.708 1.00 0.54 H new ATOM 0 HB3 MET A 23 11.922 -3.813 -12.949 1.00 0.54 H new ATOM 0 HG2 MET A 23 12.670 -4.662 -10.751 1.00 0.56 H new ATOM 0 HG3 MET A 23 13.124 -6.188 -11.484 1.00 0.56 H new ATOM 0 HE1 MET A 23 16.224 -5.456 -13.559 1.00 1.23 H new ATOM 0 HE2 MET A 23 14.831 -6.515 -13.240 1.00 1.23 H new ATOM 0 HE3 MET A 23 14.661 -5.130 -14.345 1.00 1.23 H new ATOM 368 N TRP A 24 9.720 -3.730 -11.105 1.00 0.37 N ATOM 369 CA TRP A 24 9.190 -3.135 -9.887 1.00 0.31 C ATOM 370 C TRP A 24 7.965 -3.911 -9.430 1.00 0.25 C ATOM 371 O TRP A 24 7.798 -4.185 -8.241 1.00 0.29 O ATOM 372 CB TRP A 24 8.834 -1.658 -10.112 1.00 0.34 C ATOM 373 CG TRP A 24 10.027 -0.749 -10.117 1.00 0.44 C ATOM 374 CD1 TRP A 24 11.097 -0.795 -9.269 1.00 1.02 C ATOM 375 CD2 TRP A 24 10.267 0.349 -11.005 1.00 0.95 C ATOM 376 NE1 TRP A 24 11.989 0.201 -9.581 1.00 1.14 N ATOM 377 CE2 TRP A 24 11.503 0.918 -10.641 1.00 1.01 C ATOM 378 CE3 TRP A 24 9.560 0.907 -12.075 1.00 1.77 C ATOM 379 CZ2 TRP A 24 12.046 2.014 -11.308 1.00 1.49 C ATOM 380 CZ3 TRP A 24 10.099 1.995 -12.736 1.00 2.34 C ATOM 381 CH2 TRP A 24 11.331 2.538 -12.351 1.00 2.12 C ATOM 0 H TRP A 24 9.738 -3.100 -11.907 1.00 0.37 H new ATOM 0 HA TRP A 24 9.955 -3.183 -9.112 1.00 0.31 H new ATOM 0 HB2 TRP A 24 8.308 -1.560 -11.062 1.00 0.34 H new ATOM 0 HB3 TRP A 24 8.145 -1.336 -9.332 1.00 0.34 H new ATOM 0 HD1 TRP A 24 11.223 -1.510 -8.470 1.00 1.02 H new ATOM 0 HE1 TRP A 24 12.871 0.378 -9.101 1.00 1.14 H new ATOM 0 HE3 TRP A 24 8.609 0.495 -12.380 1.00 1.77 H new ATOM 0 HZ2 TRP A 24 12.996 2.435 -11.013 1.00 1.49 H new ATOM 0 HZ3 TRP A 24 9.561 2.434 -13.563 1.00 2.34 H new ATOM 0 HH2 TRP A 24 11.725 3.388 -12.888 1.00 2.12 H new ATOM 392 N VAL A 25 7.115 -4.279 -10.385 1.00 0.21 N ATOM 393 CA VAL A 25 5.917 -5.044 -10.079 1.00 0.20 C ATOM 394 C VAL A 25 6.322 -6.341 -9.385 1.00 0.22 C ATOM 395 O VAL A 25 5.715 -6.754 -8.388 1.00 0.22 O ATOM 396 CB VAL A 25 5.082 -5.332 -11.362 1.00 0.25 C ATOM 397 CG1 VAL A 25 5.327 -6.735 -11.902 1.00 0.32 C ATOM 398 CG2 VAL A 25 3.597 -5.133 -11.101 1.00 0.30 C ATOM 0 H VAL A 25 7.236 -4.059 -11.374 1.00 0.21 H new ATOM 0 HA VAL A 25 5.281 -4.460 -9.414 1.00 0.20 H new ATOM 0 HB VAL A 25 5.411 -4.618 -12.117 1.00 0.25 H new ATOM 0 HG11 VAL A 25 4.724 -6.891 -12.796 1.00 0.32 H new ATOM 0 HG12 VAL A 25 6.382 -6.850 -12.151 1.00 0.32 H new ATOM 0 HG13 VAL A 25 5.051 -7.469 -11.145 1.00 0.32 H new ATOM 0 HG21 VAL A 25 3.036 -5.340 -12.012 1.00 0.30 H new ATOM 0 HG22 VAL A 25 3.272 -5.812 -10.313 1.00 0.30 H new ATOM 0 HG23 VAL A 25 3.417 -4.104 -10.790 1.00 0.30 H new ATOM 408 N ASP A 26 7.376 -6.966 -9.908 1.00 0.28 N ATOM 409 CA ASP A 26 7.888 -8.195 -9.330 1.00 0.35 C ATOM 410 C ASP A 26 8.372 -7.933 -7.908 1.00 0.35 C ATOM 411 O ASP A 26 8.213 -8.773 -7.023 1.00 0.38 O ATOM 412 CB ASP A 26 9.029 -8.755 -10.182 1.00 0.45 C ATOM 413 CG ASP A 26 9.492 -10.117 -9.703 1.00 0.53 C ATOM 414 OD1 ASP A 26 10.328 -10.167 -8.777 1.00 0.58 O ATOM 415 OD2 ASP A 26 9.017 -11.133 -10.252 1.00 0.60 O ATOM 0 H ASP A 26 7.886 -6.638 -10.728 1.00 0.28 H new ATOM 0 HA ASP A 26 7.086 -8.932 -9.305 1.00 0.35 H new ATOM 0 HB2 ASP A 26 8.702 -8.829 -11.219 1.00 0.45 H new ATOM 0 HB3 ASP A 26 9.869 -8.061 -10.162 1.00 0.45 H new ATOM 420 N ARG A 27 8.968 -6.758 -7.698 1.00 0.36 N ATOM 421 CA ARG A 27 9.452 -6.378 -6.375 1.00 0.42 C ATOM 422 C ARG A 27 8.282 -6.221 -5.416 1.00 0.34 C ATOM 423 O ARG A 27 8.391 -6.532 -4.232 1.00 0.35 O ATOM 424 CB ARG A 27 10.240 -5.065 -6.427 1.00 0.56 C ATOM 425 CG ARG A 27 11.283 -5.007 -7.528 1.00 0.99 C ATOM 426 CD ARG A 27 12.275 -6.155 -7.432 1.00 1.61 C ATOM 427 NE ARG A 27 13.299 -6.081 -8.470 1.00 2.45 N ATOM 428 CZ ARG A 27 14.300 -6.948 -8.582 1.00 3.19 C ATOM 429 NH1 ARG A 27 14.415 -7.950 -7.723 1.00 3.22 N ATOM 430 NH2 ARG A 27 15.188 -6.811 -9.558 1.00 4.08 N ATOM 0 H ARG A 27 9.125 -6.059 -8.424 1.00 0.36 H new ATOM 0 HA ARG A 27 10.115 -7.169 -6.024 1.00 0.42 H new ATOM 0 HB2 ARG A 27 9.541 -4.240 -6.561 1.00 0.56 H new ATOM 0 HB3 ARG A 27 10.733 -4.912 -5.467 1.00 0.56 H new ATOM 0 HG2 ARG A 27 10.788 -5.036 -8.499 1.00 0.99 H new ATOM 0 HG3 ARG A 27 11.818 -4.059 -7.471 1.00 0.99 H new ATOM 0 HD2 ARG A 27 12.751 -6.142 -6.452 1.00 1.61 H new ATOM 0 HD3 ARG A 27 11.742 -7.102 -7.515 1.00 1.61 H new ATOM 0 HE ARG A 27 13.243 -5.321 -9.148 1.00 2.45 H new ATOM 0 HH11 ARG A 27 13.734 -8.058 -6.972 1.00 3.22 H new ATOM 0 HH12 ARG A 27 15.185 -8.613 -7.813 1.00 3.22 H new ATOM 0 HH21 ARG A 27 15.102 -6.041 -10.221 1.00 4.08 H new ATOM 0 HH22 ARG A 27 15.957 -7.476 -9.645 1.00 4.08 H new ATOM 444 N TYR A 28 7.164 -5.728 -5.942 1.00 0.31 N ATOM 445 CA TYR A 28 5.964 -5.530 -5.139 1.00 0.35 C ATOM 446 C TYR A 28 5.434 -6.871 -4.656 1.00 0.33 C ATOM 447 O TYR A 28 5.103 -7.036 -3.479 1.00 0.38 O ATOM 448 CB TYR A 28 4.898 -4.802 -5.965 1.00 0.41 C ATOM 449 CG TYR A 28 3.575 -4.604 -5.254 1.00 0.72 C ATOM 450 CD1 TYR A 28 3.534 -4.434 -3.876 1.00 0.98 C ATOM 451 CD2 TYR A 28 2.371 -4.592 -5.951 1.00 1.47 C ATOM 452 CE1 TYR A 28 2.336 -4.255 -3.213 1.00 1.22 C ATOM 453 CE2 TYR A 28 1.169 -4.413 -5.295 1.00 1.82 C ATOM 454 CZ TYR A 28 1.135 -4.237 -3.968 1.00 1.48 C ATOM 455 OH TYR A 28 -0.038 -4.064 -3.272 1.00 1.87 O ATOM 0 H TYR A 28 7.065 -5.459 -6.921 1.00 0.31 H new ATOM 0 HA TYR A 28 6.212 -4.920 -4.271 1.00 0.35 H new ATOM 0 HB2 TYR A 28 5.287 -3.827 -6.258 1.00 0.41 H new ATOM 0 HB3 TYR A 28 4.722 -5.364 -6.882 1.00 0.41 H new ATOM 0 HD1 TYR A 28 4.456 -4.442 -3.313 1.00 0.98 H new ATOM 0 HD2 TYR A 28 2.376 -4.725 -7.023 1.00 1.47 H new ATOM 0 HE1 TYR A 28 2.314 -4.131 -2.140 1.00 1.22 H new ATOM 0 HE2 TYR A 28 0.247 -4.415 -5.858 1.00 1.82 H new ATOM 0 HH TYR A 28 0.113 -3.448 -2.525 1.00 1.87 H new ATOM 465 N LEU A 29 5.367 -7.834 -5.568 1.00 0.34 N ATOM 466 CA LEU A 29 4.893 -9.166 -5.219 1.00 0.45 C ATOM 467 C LEU A 29 5.812 -9.789 -4.172 1.00 0.41 C ATOM 468 O LEU A 29 5.358 -10.312 -3.149 1.00 0.44 O ATOM 469 CB LEU A 29 4.841 -10.050 -6.463 1.00 0.59 C ATOM 470 CG LEU A 29 3.572 -9.898 -7.296 1.00 0.74 C ATOM 471 CD1 LEU A 29 2.371 -10.396 -6.519 1.00 0.97 C ATOM 472 CD2 LEU A 29 3.368 -8.450 -7.707 1.00 1.33 C ATOM 0 H LEU A 29 5.633 -7.718 -6.546 1.00 0.34 H new ATOM 0 HA LEU A 29 3.888 -9.084 -4.805 1.00 0.45 H new ATOM 0 HB2 LEU A 29 5.702 -9.822 -7.091 1.00 0.59 H new ATOM 0 HB3 LEU A 29 4.937 -11.092 -6.157 1.00 0.59 H new ATOM 0 HG LEU A 29 3.681 -10.499 -8.199 1.00 0.74 H new ATOM 0 HD11 LEU A 29 1.472 -10.282 -7.125 1.00 0.97 H new ATOM 0 HD12 LEU A 29 2.509 -11.448 -6.270 1.00 0.97 H new ATOM 0 HD13 LEU A 29 2.266 -9.817 -5.601 1.00 0.97 H new ATOM 0 HD21 LEU A 29 2.457 -8.365 -8.300 1.00 1.33 H new ATOM 0 HD22 LEU A 29 3.280 -7.828 -6.816 1.00 1.33 H new ATOM 0 HD23 LEU A 29 4.220 -8.117 -8.300 1.00 1.33 H new ATOM 484 N ALA A 30 7.113 -9.709 -4.433 1.00 0.41 N ATOM 485 CA ALA A 30 8.111 -10.242 -3.519 1.00 0.48 C ATOM 486 C ALA A 30 8.038 -9.510 -2.191 1.00 0.38 C ATOM 487 O ALA A 30 8.310 -10.081 -1.136 1.00 0.42 O ATOM 488 CB ALA A 30 9.504 -10.119 -4.119 1.00 0.63 C ATOM 0 H ALA A 30 7.499 -9.278 -5.273 1.00 0.41 H new ATOM 0 HA ALA A 30 7.905 -11.299 -3.351 1.00 0.48 H new ATOM 0 HB1 ALA A 30 10.238 -10.523 -3.421 1.00 0.63 H new ATOM 0 HB2 ALA A 30 9.548 -10.677 -5.055 1.00 0.63 H new ATOM 0 HB3 ALA A 30 9.726 -9.069 -4.312 1.00 0.63 H new ATOM 494 N PHE A 31 7.670 -8.234 -2.257 1.00 0.33 N ATOM 495 CA PHE A 31 7.547 -7.414 -1.064 1.00 0.37 C ATOM 496 C PHE A 31 6.434 -7.945 -0.176 1.00 0.34 C ATOM 497 O PHE A 31 6.619 -8.101 1.028 1.00 0.38 O ATOM 498 CB PHE A 31 7.272 -5.956 -1.440 1.00 0.48 C ATOM 499 CG PHE A 31 7.179 -5.035 -0.257 1.00 0.65 C ATOM 500 CD1 PHE A 31 8.326 -4.549 0.349 1.00 0.78 C ATOM 501 CD2 PHE A 31 5.946 -4.657 0.248 1.00 0.82 C ATOM 502 CE1 PHE A 31 8.245 -3.703 1.438 1.00 0.95 C ATOM 503 CE2 PHE A 31 5.858 -3.811 1.338 1.00 0.99 C ATOM 504 CZ PHE A 31 7.005 -3.331 1.931 1.00 1.02 C ATOM 0 H PHE A 31 7.452 -7.748 -3.127 1.00 0.33 H new ATOM 0 HA PHE A 31 8.488 -7.458 -0.515 1.00 0.37 H new ATOM 0 HB2 PHE A 31 8.064 -5.605 -2.101 1.00 0.48 H new ATOM 0 HB3 PHE A 31 6.340 -5.905 -2.003 1.00 0.48 H new ATOM 0 HD1 PHE A 31 9.294 -4.835 -0.034 1.00 0.78 H new ATOM 0 HD2 PHE A 31 5.043 -5.027 -0.215 1.00 0.82 H new ATOM 0 HE1 PHE A 31 9.146 -3.333 1.904 1.00 0.95 H new ATOM 0 HE2 PHE A 31 4.890 -3.527 1.724 1.00 0.99 H new ATOM 0 HZ PHE A 31 6.938 -2.666 2.779 1.00 1.02 H new ATOM 514 N THR A 32 5.286 -8.253 -0.779 1.00 0.36 N ATOM 515 CA THR A 32 4.155 -8.778 -0.021 1.00 0.46 C ATOM 516 C THR A 32 4.515 -10.121 0.597 1.00 0.43 C ATOM 517 O THR A 32 4.209 -10.385 1.759 1.00 0.48 O ATOM 518 CB THR A 32 2.903 -8.965 -0.898 1.00 0.57 C ATOM 519 OG1 THR A 32 3.136 -9.985 -1.876 1.00 0.56 O ATOM 520 CG2 THR A 32 2.523 -7.671 -1.596 1.00 0.60 C ATOM 0 H THR A 32 5.117 -8.149 -1.780 1.00 0.36 H new ATOM 0 HA THR A 32 3.929 -8.046 0.755 1.00 0.46 H new ATOM 0 HB THR A 32 2.080 -9.262 -0.248 1.00 0.57 H new ATOM 0 HG1 THR A 32 3.953 -9.778 -2.376 1.00 0.56 H new ATOM 0 HG21 THR A 32 1.636 -7.835 -2.208 1.00 0.60 H new ATOM 0 HG22 THR A 32 2.314 -6.904 -0.851 1.00 0.60 H new ATOM 0 HG23 THR A 32 3.347 -7.345 -2.231 1.00 0.60 H new ATOM 528 N GLU A 33 5.170 -10.965 -0.191 1.00 0.43 N ATOM 529 CA GLU A 33 5.583 -12.282 0.278 1.00 0.50 C ATOM 530 C GLU A 33 6.642 -12.161 1.370 1.00 0.45 C ATOM 531 O GLU A 33 6.731 -13.006 2.261 1.00 0.46 O ATOM 532 CB GLU A 33 6.121 -13.108 -0.888 1.00 0.64 C ATOM 533 CG GLU A 33 5.133 -13.235 -2.034 1.00 0.47 C ATOM 534 CD GLU A 33 5.757 -13.839 -3.278 1.00 1.01 C ATOM 535 OE1 GLU A 33 5.868 -15.081 -3.343 1.00 1.10 O ATOM 536 OE2 GLU A 33 6.133 -13.069 -4.186 1.00 1.45 O ATOM 0 H GLU A 33 5.426 -10.761 -1.157 1.00 0.43 H new ATOM 0 HA GLU A 33 4.713 -12.786 0.700 1.00 0.50 H new ATOM 0 HB2 GLU A 33 7.039 -12.650 -1.257 1.00 0.64 H new ATOM 0 HB3 GLU A 33 6.383 -14.104 -0.530 1.00 0.64 H new ATOM 0 HG2 GLU A 33 4.292 -13.852 -1.717 1.00 0.47 H new ATOM 0 HG3 GLU A 33 4.733 -12.250 -2.274 1.00 0.47 H new ATOM 543 N GLU A 34 7.446 -11.107 1.287 1.00 0.45 N ATOM 544 CA GLU A 34 8.509 -10.866 2.257 1.00 0.52 C ATOM 545 C GLU A 34 7.953 -10.747 3.676 1.00 0.49 C ATOM 546 O GLU A 34 8.540 -11.267 4.624 1.00 0.55 O ATOM 547 CB GLU A 34 9.275 -9.592 1.890 1.00 0.61 C ATOM 548 CG GLU A 34 10.510 -9.354 2.742 1.00 0.73 C ATOM 549 CD GLU A 34 11.556 -10.440 2.571 1.00 1.37 C ATOM 550 OE1 GLU A 34 12.415 -10.300 1.676 1.00 1.28 O ATOM 551 OE2 GLU A 34 11.515 -11.429 3.334 1.00 2.24 O ATOM 0 H GLU A 34 7.381 -10.401 0.553 1.00 0.45 H new ATOM 0 HA GLU A 34 9.187 -11.719 2.230 1.00 0.52 H new ATOM 0 HB2 GLU A 34 9.572 -9.647 0.843 1.00 0.61 H new ATOM 0 HB3 GLU A 34 8.607 -8.736 1.988 1.00 0.61 H new ATOM 0 HG2 GLU A 34 10.947 -8.390 2.481 1.00 0.73 H new ATOM 0 HG3 GLU A 34 10.218 -9.298 3.791 1.00 0.73 H new ATOM 558 N LYS A 35 6.820 -10.064 3.814 1.00 0.47 N ATOM 559 CA LYS A 35 6.195 -9.876 5.122 1.00 0.53 C ATOM 560 C LYS A 35 5.273 -11.039 5.461 1.00 0.45 C ATOM 561 O LYS A 35 4.541 -10.987 6.450 1.00 0.55 O ATOM 562 CB LYS A 35 5.391 -8.576 5.154 1.00 0.74 C ATOM 563 CG LYS A 35 6.080 -7.425 4.455 1.00 0.97 C ATOM 564 CD LYS A 35 5.306 -6.991 3.222 1.00 1.26 C ATOM 565 CE LYS A 35 4.059 -6.201 3.590 1.00 2.35 C ATOM 566 NZ LYS A 35 3.238 -5.870 2.392 1.00 3.30 N ATOM 0 H LYS A 35 6.316 -9.632 3.039 1.00 0.47 H new ATOM 0 HA LYS A 35 6.994 -9.828 5.861 1.00 0.53 H new ATOM 0 HB2 LYS A 35 4.421 -8.746 4.687 1.00 0.74 H new ATOM 0 HB3 LYS A 35 5.202 -8.300 6.191 1.00 0.74 H new ATOM 0 HG2 LYS A 35 6.177 -6.584 5.142 1.00 0.97 H new ATOM 0 HG3 LYS A 35 7.089 -7.721 4.169 1.00 0.97 H new ATOM 0 HD2 LYS A 35 5.948 -6.382 2.585 1.00 1.26 H new ATOM 0 HD3 LYS A 35 5.022 -7.869 2.642 1.00 1.26 H new ATOM 0 HE2 LYS A 35 3.459 -6.777 4.294 1.00 2.35 H new ATOM 0 HE3 LYS A 35 4.349 -5.281 4.097 1.00 2.35 H new ATOM 0 HZ1 LYS A 35 2.505 -5.180 2.653 1.00 3.30 H new ATOM 0 HZ2 LYS A 35 3.848 -5.464 1.654 1.00 3.30 H new ATOM 0 HZ3 LYS A 35 2.787 -6.735 2.031 1.00 3.30 H new ATOM 580 N ALA A 36 5.307 -12.087 4.639 1.00 0.43 N ATOM 581 CA ALA A 36 4.441 -13.241 4.849 1.00 0.63 C ATOM 582 C ALA A 36 2.986 -12.794 4.800 1.00 0.78 C ATOM 583 O ALA A 36 2.078 -13.507 5.228 1.00 0.99 O ATOM 584 CB ALA A 36 4.754 -13.915 6.177 1.00 0.74 C ATOM 0 H ALA A 36 5.921 -12.159 3.828 1.00 0.43 H new ATOM 0 HA ALA A 36 4.618 -13.970 4.058 1.00 0.63 H new ATOM 0 HB1 ALA A 36 4.096 -14.773 6.313 1.00 0.74 H new ATOM 0 HB2 ALA A 36 5.792 -14.249 6.180 1.00 0.74 H new ATOM 0 HB3 ALA A 36 4.599 -13.206 6.990 1.00 0.74 H new ATOM 590 N MET A 37 2.790 -11.594 4.261 1.00 0.79 N ATOM 591 CA MET A 37 1.473 -10.988 4.140 1.00 1.04 C ATOM 592 C MET A 37 0.529 -11.869 3.329 1.00 1.22 C ATOM 593 O MET A 37 -0.691 -11.786 3.474 1.00 1.43 O ATOM 594 CB MET A 37 1.611 -9.612 3.488 1.00 1.08 C ATOM 595 CG MET A 37 0.641 -8.577 4.026 1.00 1.38 C ATOM 596 SD MET A 37 -0.981 -8.666 3.243 1.00 2.05 S ATOM 597 CE MET A 37 -0.572 -8.189 1.564 1.00 1.97 C ATOM 0 H MET A 37 3.545 -11.014 3.895 1.00 0.79 H new ATOM 0 HA MET A 37 1.044 -10.881 5.136 1.00 1.04 H new ATOM 0 HB2 MET A 37 2.629 -9.252 3.634 1.00 1.08 H new ATOM 0 HB3 MET A 37 1.460 -9.713 2.413 1.00 1.08 H new ATOM 0 HG2 MET A 37 0.528 -8.716 5.101 1.00 1.38 H new ATOM 0 HG3 MET A 37 1.058 -7.581 3.875 1.00 1.38 H new ATOM 0 HE1 MET A 37 -1.482 -8.144 0.966 1.00 1.97 H new ATOM 0 HE2 MET A 37 -0.094 -7.210 1.570 1.00 1.97 H new ATOM 0 HE3 MET A 37 0.109 -8.923 1.133 1.00 1.97 H new ATOM 607 N GLY A 38 1.100 -12.714 2.477 1.00 1.22 N ATOM 608 CA GLY A 38 0.294 -13.598 1.657 1.00 1.49 C ATOM 609 C GLY A 38 0.894 -13.826 0.284 1.00 1.30 C ATOM 610 O GLY A 38 1.100 -12.878 -0.475 1.00 1.95 O ATOM 0 H GLY A 38 2.107 -12.802 2.340 1.00 1.22 H new ATOM 0 HA2 GLY A 38 0.182 -14.556 2.164 1.00 1.49 H new ATOM 0 HA3 GLY A 38 -0.705 -13.176 1.548 1.00 1.49 H new ATOM 614 N MET A 39 1.178 -15.085 -0.034 1.00 1.05 N ATOM 615 CA MET A 39 1.760 -15.435 -1.325 1.00 0.97 C ATOM 616 C MET A 39 0.678 -15.555 -2.393 1.00 0.81 C ATOM 617 O MET A 39 0.960 -15.900 -3.541 1.00 0.93 O ATOM 618 CB MET A 39 2.534 -16.750 -1.219 1.00 1.47 C ATOM 619 CG MET A 39 1.677 -17.926 -0.776 1.00 1.62 C ATOM 620 SD MET A 39 2.592 -19.478 -0.728 1.00 2.14 S ATOM 621 CE MET A 39 3.819 -19.110 0.524 1.00 2.33 C ATOM 0 H MET A 39 1.015 -15.880 0.584 1.00 1.05 H new ATOM 0 HA MET A 39 2.446 -14.639 -1.614 1.00 0.97 H new ATOM 0 HB2 MET A 39 2.979 -16.979 -2.187 1.00 1.47 H new ATOM 0 HB3 MET A 39 3.355 -16.623 -0.513 1.00 1.47 H new ATOM 0 HG2 MET A 39 1.268 -17.720 0.213 1.00 1.62 H new ATOM 0 HG3 MET A 39 0.831 -18.029 -1.455 1.00 1.62 H new ATOM 0 HE1 MET A 39 4.261 -20.039 0.885 1.00 2.33 H new ATOM 0 HE2 MET A 39 4.599 -18.480 0.095 1.00 2.33 H new ATOM 0 HE3 MET A 39 3.346 -18.587 1.355 1.00 2.33 H new ATOM 631 N THR A 40 -0.561 -15.279 -2.004 1.00 0.66 N ATOM 632 CA THR A 40 -1.686 -15.341 -2.928 1.00 0.60 C ATOM 633 C THR A 40 -2.004 -13.944 -3.457 1.00 0.51 C ATOM 634 O THR A 40 -1.151 -13.058 -3.416 1.00 0.46 O ATOM 635 CB THR A 40 -2.933 -15.944 -2.243 1.00 0.70 C ATOM 636 OG1 THR A 40 -3.963 -16.184 -3.208 1.00 1.26 O ATOM 637 CG2 THR A 40 -3.456 -15.022 -1.151 1.00 0.85 C ATOM 0 H THR A 40 -0.812 -15.010 -1.053 1.00 0.66 H new ATOM 0 HA THR A 40 -1.409 -15.987 -3.761 1.00 0.60 H new ATOM 0 HB THR A 40 -2.641 -16.890 -1.787 1.00 0.70 H new ATOM 0 HG1 THR A 40 -4.747 -16.567 -2.762 1.00 1.26 H new ATOM 0 HG21 THR A 40 -4.334 -15.471 -0.686 1.00 0.85 H new ATOM 0 HG22 THR A 40 -2.682 -14.874 -0.398 1.00 0.85 H new ATOM 0 HG23 THR A 40 -3.728 -14.060 -1.586 1.00 0.85 H new ATOM 645 N ASN A 41 -3.227 -13.729 -3.925 1.00 0.52 N ATOM 646 CA ASN A 41 -3.610 -12.423 -4.444 1.00 0.46 C ATOM 647 C ASN A 41 -4.240 -11.603 -3.327 1.00 0.49 C ATOM 648 O ASN A 41 -5.124 -12.081 -2.614 1.00 0.58 O ATOM 649 CB ASN A 41 -4.603 -12.569 -5.600 1.00 0.49 C ATOM 650 CG ASN A 41 -4.976 -14.014 -5.870 1.00 1.34 C ATOM 651 OD1 ASN A 41 -4.328 -14.698 -6.661 1.00 2.35 O ATOM 652 ND2 ASN A 41 -6.028 -14.486 -5.211 1.00 1.61 N ATOM 0 H ASN A 41 -3.963 -14.434 -3.956 1.00 0.52 H new ATOM 0 HA ASN A 41 -2.719 -11.918 -4.817 1.00 0.46 H new ATOM 0 HB2 ASN A 41 -5.505 -12.001 -5.373 1.00 0.49 H new ATOM 0 HB3 ASN A 41 -4.171 -12.135 -6.502 1.00 0.49 H new ATOM 0 HD21 ASN A 41 -6.327 -15.451 -5.352 1.00 1.61 H new ATOM 0 HD22 ASN A 41 -6.537 -13.884 -4.564 1.00 1.61 H new ATOM 659 N LEU A 42 -3.778 -10.371 -3.180 1.00 0.44 N ATOM 660 CA LEU A 42 -4.271 -9.490 -2.128 1.00 0.52 C ATOM 661 C LEU A 42 -4.629 -8.099 -2.658 1.00 0.49 C ATOM 662 O LEU A 42 -5.714 -7.589 -2.374 1.00 0.60 O ATOM 663 CB LEU A 42 -3.221 -9.376 -1.034 1.00 0.57 C ATOM 664 CG LEU A 42 -2.626 -10.691 -0.589 1.00 1.60 C ATOM 665 CD1 LEU A 42 -1.171 -10.675 -0.942 1.00 2.08 C ATOM 666 CD2 LEU A 42 -2.831 -10.906 0.904 1.00 2.15 C ATOM 0 H LEU A 42 -3.061 -9.956 -3.776 1.00 0.44 H new ATOM 0 HA LEU A 42 -5.186 -9.927 -1.727 1.00 0.52 H new ATOM 0 HB2 LEU A 42 -2.417 -8.730 -1.387 1.00 0.57 H new ATOM 0 HB3 LEU A 42 -3.668 -8.885 -0.170 1.00 0.57 H new ATOM 0 HG LEU A 42 -3.122 -11.520 -1.093 1.00 1.60 H new ATOM 0 HD11 LEU A 42 -0.711 -11.614 -0.633 1.00 2.08 H new ATOM 0 HD12 LEU A 42 -1.059 -10.554 -2.019 1.00 2.08 H new ATOM 0 HD13 LEU A 42 -0.682 -9.846 -0.431 1.00 2.08 H new ATOM 0 HD21 LEU A 42 -2.393 -11.860 1.198 1.00 2.15 H new ATOM 0 HD22 LEU A 42 -2.349 -10.100 1.457 1.00 2.15 H new ATOM 0 HD23 LEU A 42 -3.898 -10.912 1.128 1.00 2.15 H new ATOM 678 N PRO A 43 -3.729 -7.458 -3.437 1.00 0.38 N ATOM 679 CA PRO A 43 -3.977 -6.134 -3.984 1.00 0.40 C ATOM 680 C PRO A 43 -4.741 -6.211 -5.303 1.00 0.37 C ATOM 681 O PRO A 43 -4.439 -5.491 -6.244 1.00 0.35 O ATOM 682 CB PRO A 43 -2.564 -5.575 -4.194 1.00 0.40 C ATOM 683 CG PRO A 43 -1.642 -6.753 -4.266 1.00 0.32 C ATOM 684 CD PRO A 43 -2.423 -7.977 -3.879 1.00 0.34 C ATOM 0 HA PRO A 43 -4.592 -5.513 -3.333 1.00 0.40 H new ATOM 0 HB2 PRO A 43 -2.513 -4.987 -5.110 1.00 0.40 H new ATOM 0 HB3 PRO A 43 -2.284 -4.914 -3.374 1.00 0.40 H new ATOM 0 HG2 PRO A 43 -1.239 -6.861 -5.273 1.00 0.32 H new ATOM 0 HG3 PRO A 43 -0.793 -6.615 -3.596 1.00 0.32 H new ATOM 0 HD2 PRO A 43 -2.532 -8.661 -4.721 1.00 0.34 H new ATOM 0 HD3 PRO A 43 -1.925 -8.530 -3.082 1.00 0.34 H new ATOM 692 N ALA A 44 -5.769 -7.053 -5.350 1.00 0.42 N ATOM 693 CA ALA A 44 -6.547 -7.232 -6.573 1.00 0.42 C ATOM 694 C ALA A 44 -7.926 -6.587 -6.472 1.00 0.47 C ATOM 695 O ALA A 44 -8.555 -6.594 -5.413 1.00 0.59 O ATOM 696 CB ALA A 44 -6.684 -8.714 -6.882 1.00 0.52 C ATOM 0 H ALA A 44 -6.082 -7.619 -4.561 1.00 0.42 H new ATOM 0 HA ALA A 44 -6.013 -6.735 -7.383 1.00 0.42 H new ATOM 0 HB1 ALA A 44 -7.265 -8.843 -7.795 1.00 0.52 H new ATOM 0 HB2 ALA A 44 -5.694 -9.151 -7.017 1.00 0.52 H new ATOM 0 HB3 ALA A 44 -7.191 -9.213 -6.056 1.00 0.52 H new ATOM 702 N VAL A 45 -8.385 -6.032 -7.593 1.00 0.42 N ATOM 703 CA VAL A 45 -9.687 -5.374 -7.661 1.00 0.47 C ATOM 704 C VAL A 45 -10.616 -6.115 -8.622 1.00 0.53 C ATOM 705 O VAL A 45 -10.149 -6.793 -9.536 1.00 0.55 O ATOM 706 CB VAL A 45 -9.559 -3.896 -8.100 1.00 0.41 C ATOM 707 CG1 VAL A 45 -8.325 -3.256 -7.481 1.00 0.45 C ATOM 708 CG2 VAL A 45 -9.527 -3.773 -9.617 1.00 0.34 C ATOM 0 H VAL A 45 -7.869 -6.026 -8.473 1.00 0.42 H new ATOM 0 HA VAL A 45 -10.112 -5.397 -6.657 1.00 0.47 H new ATOM 0 HB VAL A 45 -10.439 -3.363 -7.741 1.00 0.41 H new ATOM 0 HG11 VAL A 45 -8.254 -2.217 -7.803 1.00 0.45 H new ATOM 0 HG12 VAL A 45 -8.401 -3.295 -6.394 1.00 0.45 H new ATOM 0 HG13 VAL A 45 -7.435 -3.797 -7.802 1.00 0.45 H new ATOM 0 HG21 VAL A 45 -9.437 -2.723 -9.895 1.00 0.34 H new ATOM 0 HG22 VAL A 45 -8.674 -4.327 -10.009 1.00 0.34 H new ATOM 0 HG23 VAL A 45 -10.447 -4.181 -10.035 1.00 0.34 H new ATOM 718 N GLY A 46 -11.924 -5.989 -8.390 1.00 0.64 N ATOM 719 CA GLY A 46 -12.924 -6.649 -9.227 1.00 0.75 C ATOM 720 C GLY A 46 -12.444 -6.959 -10.636 1.00 0.74 C ATOM 721 O GLY A 46 -12.328 -8.127 -11.010 1.00 0.92 O ATOM 0 H GLY A 46 -12.315 -5.435 -7.628 1.00 0.64 H new ATOM 0 HA2 GLY A 46 -13.230 -7.578 -8.746 1.00 0.75 H new ATOM 0 HA3 GLY A 46 -13.809 -6.015 -9.287 1.00 0.75 H new ATOM 725 N ARG A 47 -12.164 -5.920 -11.421 1.00 0.63 N ATOM 726 CA ARG A 47 -11.695 -6.107 -12.793 1.00 0.64 C ATOM 727 C ARG A 47 -10.180 -5.972 -12.889 1.00 0.67 C ATOM 728 O ARG A 47 -9.608 -4.971 -12.456 1.00 1.20 O ATOM 729 CB ARG A 47 -12.354 -5.099 -13.732 1.00 0.63 C ATOM 730 CG ARG A 47 -13.823 -5.375 -13.993 1.00 0.39 C ATOM 731 CD ARG A 47 -14.234 -4.884 -15.371 1.00 1.19 C ATOM 732 NE ARG A 47 -15.671 -5.014 -15.590 1.00 1.66 N ATOM 733 CZ ARG A 47 -16.285 -4.630 -16.705 1.00 2.40 C ATOM 734 NH1 ARG A 47 -15.587 -4.098 -17.700 1.00 3.06 N ATOM 735 NH2 ARG A 47 -17.597 -4.781 -16.827 1.00 2.81 N ATOM 0 H ARG A 47 -12.253 -4.946 -11.133 1.00 0.63 H new ATOM 0 HA ARG A 47 -11.974 -7.117 -13.093 1.00 0.64 H new ATOM 0 HB2 ARG A 47 -12.251 -4.100 -13.308 1.00 0.63 H new ATOM 0 HB3 ARG A 47 -11.820 -5.098 -14.682 1.00 0.63 H new ATOM 0 HG2 ARG A 47 -14.015 -6.445 -13.912 1.00 0.39 H new ATOM 0 HG3 ARG A 47 -14.430 -4.884 -13.232 1.00 0.39 H new ATOM 0 HD2 ARG A 47 -13.942 -3.840 -15.486 1.00 1.19 H new ATOM 0 HD3 ARG A 47 -13.698 -5.450 -16.133 1.00 1.19 H new ATOM 0 HE ARG A 47 -16.236 -5.423 -14.846 1.00 1.66 H new ATOM 0 HH11 ARG A 47 -14.577 -3.983 -17.610 1.00 3.06 H new ATOM 0 HH12 ARG A 47 -16.060 -3.804 -18.555 1.00 3.06 H new ATOM 0 HH21 ARG A 47 -18.136 -5.192 -16.065 1.00 2.81 H new ATOM 0 HH22 ARG A 47 -18.067 -4.486 -17.683 1.00 2.81 H new ATOM 749 N LYS A 48 -9.540 -6.986 -13.471 1.00 0.69 N ATOM 750 CA LYS A 48 -8.088 -6.997 -13.642 1.00 0.62 C ATOM 751 C LYS A 48 -7.367 -6.953 -12.292 1.00 0.51 C ATOM 752 O LYS A 48 -7.914 -6.467 -11.303 1.00 0.48 O ATOM 753 CB LYS A 48 -7.644 -5.824 -14.521 1.00 0.67 C ATOM 754 CG LYS A 48 -8.062 -5.954 -15.978 1.00 0.84 C ATOM 755 CD LYS A 48 -9.540 -5.650 -16.170 1.00 1.04 C ATOM 756 CE LYS A 48 -9.950 -5.775 -17.628 1.00 1.00 C ATOM 757 NZ LYS A 48 -9.152 -4.877 -18.509 1.00 1.56 N ATOM 0 H LYS A 48 -10.009 -7.816 -13.834 1.00 0.69 H new ATOM 0 HA LYS A 48 -7.818 -7.930 -14.136 1.00 0.62 H new ATOM 0 HB2 LYS A 48 -8.058 -4.901 -14.115 1.00 0.67 H new ATOM 0 HB3 LYS A 48 -6.559 -5.735 -14.471 1.00 0.67 H new ATOM 0 HG2 LYS A 48 -7.468 -5.274 -16.589 1.00 0.84 H new ATOM 0 HG3 LYS A 48 -7.850 -6.964 -16.328 1.00 0.84 H new ATOM 0 HD2 LYS A 48 -10.135 -6.333 -15.564 1.00 1.04 H new ATOM 0 HD3 LYS A 48 -9.754 -4.642 -15.816 1.00 1.04 H new ATOM 0 HE2 LYS A 48 -9.824 -6.808 -17.953 1.00 1.00 H new ATOM 0 HE3 LYS A 48 -11.009 -5.536 -17.729 1.00 1.00 H new ATOM 0 HZ1 LYS A 48 -9.608 -4.811 -19.441 1.00 1.56 H new ATOM 0 HZ2 LYS A 48 -9.098 -3.930 -18.082 1.00 1.56 H new ATOM 0 HZ3 LYS A 48 -8.192 -5.262 -18.620 1.00 1.56 H new ATOM 771 N PRO A 49 -6.121 -7.468 -12.234 1.00 0.49 N ATOM 772 CA PRO A 49 -5.323 -7.494 -10.997 1.00 0.44 C ATOM 773 C PRO A 49 -5.071 -6.094 -10.436 1.00 0.43 C ATOM 774 O PRO A 49 -5.810 -5.158 -10.736 1.00 0.63 O ATOM 775 CB PRO A 49 -4.010 -8.150 -11.433 1.00 0.52 C ATOM 776 CG PRO A 49 -4.370 -8.914 -12.654 1.00 0.59 C ATOM 777 CD PRO A 49 -5.389 -8.075 -13.359 1.00 0.58 C ATOM 0 HA PRO A 49 -5.831 -8.028 -10.194 1.00 0.44 H new ATOM 0 HB2 PRO A 49 -3.243 -7.404 -11.642 1.00 0.52 H new ATOM 0 HB3 PRO A 49 -3.615 -8.805 -10.656 1.00 0.52 H new ATOM 0 HG2 PRO A 49 -3.497 -9.084 -13.284 1.00 0.59 H new ATOM 0 HG3 PRO A 49 -4.775 -9.894 -12.400 1.00 0.59 H new ATOM 0 HD2 PRO A 49 -4.926 -7.323 -13.998 1.00 0.58 H new ATOM 0 HD3 PRO A 49 -6.042 -8.674 -13.994 1.00 0.58 H new ATOM 785 N LEU A 50 -4.029 -5.950 -9.616 1.00 0.51 N ATOM 786 CA LEU A 50 -3.710 -4.647 -9.032 1.00 0.55 C ATOM 787 C LEU A 50 -3.460 -3.602 -10.116 1.00 0.67 C ATOM 788 O LEU A 50 -3.561 -2.402 -9.859 1.00 1.57 O ATOM 789 CB LEU A 50 -2.496 -4.698 -8.077 1.00 0.64 C ATOM 790 CG LEU A 50 -1.506 -5.856 -8.247 1.00 0.45 C ATOM 791 CD1 LEU A 50 -2.030 -7.146 -7.633 1.00 0.69 C ATOM 792 CD2 LEU A 50 -1.174 -6.054 -9.713 1.00 0.81 C ATOM 0 H LEU A 50 -3.401 -6.706 -9.345 1.00 0.51 H new ATOM 0 HA LEU A 50 -4.583 -4.362 -8.445 1.00 0.55 H new ATOM 0 HB2 LEU A 50 -1.943 -3.765 -8.187 1.00 0.64 H new ATOM 0 HB3 LEU A 50 -2.874 -4.727 -7.055 1.00 0.64 H new ATOM 0 HG LEU A 50 -0.594 -5.592 -7.712 1.00 0.45 H new ATOM 0 HD11 LEU A 50 -1.298 -7.941 -7.776 1.00 0.69 H new ATOM 0 HD12 LEU A 50 -2.202 -6.998 -6.567 1.00 0.69 H new ATOM 0 HD13 LEU A 50 -2.967 -7.425 -8.116 1.00 0.69 H new ATOM 0 HD21 LEU A 50 -0.470 -6.879 -9.818 1.00 0.81 H new ATOM 0 HD22 LEU A 50 -2.086 -6.282 -10.265 1.00 0.81 H new ATOM 0 HD23 LEU A 50 -0.727 -5.143 -10.111 1.00 0.81 H new ATOM 804 N ASP A 51 -3.143 -4.061 -11.328 1.00 0.50 N ATOM 805 CA ASP A 51 -2.872 -3.154 -12.443 1.00 0.46 C ATOM 806 C ASP A 51 -1.932 -2.041 -11.999 1.00 0.42 C ATOM 807 O ASP A 51 -2.240 -0.860 -12.140 1.00 0.41 O ATOM 808 CB ASP A 51 -4.175 -2.554 -12.976 1.00 0.45 C ATOM 809 CG ASP A 51 -5.127 -3.608 -13.503 1.00 0.49 C ATOM 810 OD1 ASP A 51 -4.786 -4.263 -14.511 1.00 0.53 O ATOM 811 OD2 ASP A 51 -6.212 -3.780 -12.910 1.00 0.63 O ATOM 0 H ASP A 51 -3.068 -5.051 -11.561 1.00 0.50 H new ATOM 0 HA ASP A 51 -2.397 -3.723 -13.242 1.00 0.46 H new ATOM 0 HB2 ASP A 51 -4.665 -1.992 -12.180 1.00 0.45 H new ATOM 0 HB3 ASP A 51 -3.946 -1.846 -13.772 1.00 0.45 H new ATOM 816 N LEU A 52 -0.785 -2.434 -11.462 1.00 0.40 N ATOM 817 CA LEU A 52 0.199 -1.483 -10.965 1.00 0.37 C ATOM 818 C LEU A 52 0.743 -0.581 -12.070 1.00 0.36 C ATOM 819 O LEU A 52 1.009 0.596 -11.832 1.00 0.43 O ATOM 820 CB LEU A 52 1.351 -2.233 -10.292 1.00 0.39 C ATOM 821 CG LEU A 52 2.327 -1.363 -9.506 1.00 0.45 C ATOM 822 CD1 LEU A 52 1.729 -0.956 -8.169 1.00 1.06 C ATOM 823 CD2 LEU A 52 3.642 -2.097 -9.309 1.00 1.29 C ATOM 0 H LEU A 52 -0.512 -3.411 -11.359 1.00 0.40 H new ATOM 0 HA LEU A 52 -0.303 -0.843 -10.240 1.00 0.37 H new ATOM 0 HB2 LEU A 52 0.931 -2.979 -9.617 1.00 0.39 H new ATOM 0 HB3 LEU A 52 1.908 -2.773 -11.058 1.00 0.39 H new ATOM 0 HG LEU A 52 2.520 -0.455 -10.077 1.00 0.45 H new ATOM 0 HD11 LEU A 52 2.442 -0.336 -7.625 1.00 1.06 H new ATOM 0 HD12 LEU A 52 0.812 -0.392 -8.337 1.00 1.06 H new ATOM 0 HD13 LEU A 52 1.504 -1.848 -7.584 1.00 1.06 H new ATOM 0 HD21 LEU A 52 4.330 -1.466 -8.747 1.00 1.29 H new ATOM 0 HD22 LEU A 52 3.464 -3.021 -8.758 1.00 1.29 H new ATOM 0 HD23 LEU A 52 4.077 -2.332 -10.281 1.00 1.29 H new ATOM 835 N TYR A 53 0.914 -1.126 -13.270 1.00 0.32 N ATOM 836 CA TYR A 53 1.436 -0.338 -14.384 1.00 0.33 C ATOM 837 C TYR A 53 0.409 0.682 -14.866 1.00 0.32 C ATOM 838 O TYR A 53 0.740 1.849 -15.091 1.00 0.32 O ATOM 839 CB TYR A 53 1.855 -1.251 -15.539 1.00 0.38 C ATOM 840 CG TYR A 53 2.180 -0.503 -16.814 1.00 0.32 C ATOM 841 CD1 TYR A 53 3.299 0.315 -16.895 1.00 0.45 C ATOM 842 CD2 TYR A 53 1.369 -0.621 -17.936 1.00 0.32 C ATOM 843 CE1 TYR A 53 3.601 0.997 -18.059 1.00 0.51 C ATOM 844 CE2 TYR A 53 1.666 0.056 -19.104 1.00 0.36 C ATOM 845 CZ TYR A 53 2.771 0.880 -19.153 1.00 0.43 C ATOM 846 OH TYR A 53 3.082 1.539 -20.322 1.00 0.54 O ATOM 0 H TYR A 53 0.702 -2.098 -13.496 1.00 0.32 H new ATOM 0 HA TYR A 53 2.312 0.203 -14.027 1.00 0.33 H new ATOM 0 HB2 TYR A 53 2.727 -1.831 -15.235 1.00 0.38 H new ATOM 0 HB3 TYR A 53 1.053 -1.962 -15.739 1.00 0.38 H new ATOM 0 HD1 TYR A 53 3.944 0.420 -16.035 1.00 0.45 H new ATOM 0 HD2 TYR A 53 0.493 -1.251 -17.895 1.00 0.32 H new ATOM 0 HE1 TYR A 53 4.483 1.618 -18.111 1.00 0.51 H new ATOM 0 HE2 TYR A 53 1.036 -0.060 -19.974 1.00 0.36 H new ATOM 0 HH TYR A 53 2.396 1.351 -20.996 1.00 0.54 H new ATOM 856 N ARG A 54 -0.838 0.246 -15.010 1.00 0.33 N ATOM 857 CA ARG A 54 -1.904 1.136 -15.460 1.00 0.34 C ATOM 858 C ARG A 54 -2.213 2.154 -14.377 1.00 0.32 C ATOM 859 O ARG A 54 -2.567 3.299 -14.658 1.00 0.32 O ATOM 860 CB ARG A 54 -3.171 0.348 -15.808 1.00 0.38 C ATOM 861 CG ARG A 54 -2.923 -1.124 -16.084 1.00 0.40 C ATOM 862 CD ARG A 54 -4.169 -1.807 -16.624 1.00 0.45 C ATOM 863 NE ARG A 54 -4.621 -1.204 -17.876 1.00 0.98 N ATOM 864 CZ ARG A 54 -5.778 -1.497 -18.463 1.00 1.19 C ATOM 865 NH1 ARG A 54 -6.600 -2.381 -17.915 1.00 1.28 N ATOM 866 NH2 ARG A 54 -6.114 -0.904 -19.600 1.00 1.85 N ATOM 0 H ARG A 54 -1.135 -0.712 -14.823 1.00 0.33 H new ATOM 0 HA ARG A 54 -1.564 1.649 -16.359 1.00 0.34 H new ATOM 0 HB2 ARG A 54 -3.881 0.439 -14.986 1.00 0.38 H new ATOM 0 HB3 ARG A 54 -3.638 0.798 -16.684 1.00 0.38 H new ATOM 0 HG2 ARG A 54 -2.109 -1.229 -16.802 1.00 0.40 H new ATOM 0 HG3 ARG A 54 -2.604 -1.619 -15.167 1.00 0.40 H new ATOM 0 HD2 ARG A 54 -3.962 -2.865 -16.784 1.00 0.45 H new ATOM 0 HD3 ARG A 54 -4.966 -1.747 -15.883 1.00 0.45 H new ATOM 0 HE ARG A 54 -4.014 -0.519 -18.326 1.00 0.98 H new ATOM 0 HH11 ARG A 54 -6.346 -2.839 -17.040 1.00 1.28 H new ATOM 0 HH12 ARG A 54 -7.486 -2.603 -18.368 1.00 1.28 H new ATOM 0 HH21 ARG A 54 -5.485 -0.223 -20.025 1.00 1.85 H new ATOM 0 HH22 ARG A 54 -7.001 -1.129 -20.050 1.00 1.85 H new ATOM 880 N LEU A 55 -2.067 1.721 -13.133 1.00 0.30 N ATOM 881 CA LEU A 55 -2.315 2.578 -11.991 1.00 0.28 C ATOM 882 C LEU A 55 -1.250 3.653 -11.921 1.00 0.26 C ATOM 883 O LEU A 55 -1.537 4.823 -11.697 1.00 0.25 O ATOM 884 CB LEU A 55 -2.292 1.739 -10.707 1.00 0.32 C ATOM 885 CG LEU A 55 -2.559 2.480 -9.386 1.00 0.31 C ATOM 886 CD1 LEU A 55 -1.456 3.477 -9.055 1.00 0.88 C ATOM 887 CD2 LEU A 55 -3.911 3.174 -9.424 1.00 0.79 C ATOM 0 H LEU A 55 -1.776 0.774 -12.892 1.00 0.30 H new ATOM 0 HA LEU A 55 -3.292 3.049 -12.096 1.00 0.28 H new ATOM 0 HB2 LEU A 55 -3.033 0.946 -10.807 1.00 0.32 H new ATOM 0 HB3 LEU A 55 -1.317 1.257 -10.634 1.00 0.32 H new ATOM 0 HG LEU A 55 -2.569 1.732 -8.593 1.00 0.31 H new ATOM 0 HD11 LEU A 55 -1.687 3.976 -8.114 1.00 0.88 H new ATOM 0 HD12 LEU A 55 -0.506 2.951 -8.963 1.00 0.88 H new ATOM 0 HD13 LEU A 55 -1.385 4.218 -9.851 1.00 0.88 H new ATOM 0 HD21 LEU A 55 -4.081 3.692 -8.480 1.00 0.79 H new ATOM 0 HD22 LEU A 55 -3.927 3.895 -10.242 1.00 0.79 H new ATOM 0 HD23 LEU A 55 -4.696 2.433 -9.577 1.00 0.79 H new ATOM 899 N TYR A 56 -0.017 3.227 -12.105 1.00 0.30 N ATOM 900 CA TYR A 56 1.130 4.113 -12.050 1.00 0.30 C ATOM 901 C TYR A 56 1.064 5.170 -13.150 1.00 0.30 C ATOM 902 O TYR A 56 1.301 6.354 -12.899 1.00 0.29 O ATOM 903 CB TYR A 56 2.394 3.264 -12.148 1.00 0.35 C ATOM 904 CG TYR A 56 3.695 4.006 -11.914 1.00 0.36 C ATOM 905 CD1 TYR A 56 3.739 5.202 -11.207 1.00 0.95 C ATOM 906 CD2 TYR A 56 4.890 3.494 -12.407 1.00 0.68 C ATOM 907 CE1 TYR A 56 4.935 5.863 -10.999 1.00 1.03 C ATOM 908 CE2 TYR A 56 6.088 4.148 -12.204 1.00 0.85 C ATOM 909 CZ TYR A 56 6.106 5.331 -11.500 1.00 0.74 C ATOM 910 OH TYR A 56 7.297 5.991 -11.304 1.00 0.97 O ATOM 0 H TYR A 56 0.220 2.254 -12.298 1.00 0.30 H new ATOM 0 HA TYR A 56 1.136 4.658 -11.106 1.00 0.30 H new ATOM 0 HB2 TYR A 56 2.323 2.452 -11.424 1.00 0.35 H new ATOM 0 HB3 TYR A 56 2.429 2.807 -13.137 1.00 0.35 H new ATOM 0 HD1 TYR A 56 2.825 5.621 -10.814 1.00 0.95 H new ATOM 0 HD2 TYR A 56 4.880 2.566 -12.960 1.00 0.68 H new ATOM 0 HE1 TYR A 56 4.953 6.791 -10.447 1.00 1.03 H new ATOM 0 HE2 TYR A 56 7.006 3.734 -12.595 1.00 0.85 H new ATOM 0 HH TYR A 56 8.025 5.482 -11.719 1.00 0.97 H new ATOM 920 N VAL A 57 0.738 4.752 -14.368 1.00 0.33 N ATOM 921 CA VAL A 57 0.632 5.701 -15.468 1.00 0.35 C ATOM 922 C VAL A 57 -0.569 6.612 -15.267 1.00 0.31 C ATOM 923 O VAL A 57 -0.513 7.809 -15.568 1.00 0.32 O ATOM 924 CB VAL A 57 0.514 4.999 -16.833 1.00 0.40 C ATOM 925 CG1 VAL A 57 1.796 4.260 -17.160 1.00 0.44 C ATOM 926 CG2 VAL A 57 -0.673 4.051 -16.851 1.00 0.38 C ATOM 0 H VAL A 57 0.546 3.781 -14.615 1.00 0.33 H new ATOM 0 HA VAL A 57 1.550 6.289 -15.469 1.00 0.35 H new ATOM 0 HB VAL A 57 0.350 5.759 -17.597 1.00 0.40 H new ATOM 0 HG11 VAL A 57 1.696 3.769 -18.128 1.00 0.44 H new ATOM 0 HG12 VAL A 57 2.625 4.967 -17.195 1.00 0.44 H new ATOM 0 HG13 VAL A 57 1.990 3.511 -16.392 1.00 0.44 H new ATOM 0 HG21 VAL A 57 -0.737 3.566 -17.825 1.00 0.38 H new ATOM 0 HG22 VAL A 57 -0.546 3.294 -16.077 1.00 0.38 H new ATOM 0 HG23 VAL A 57 -1.589 4.611 -16.664 1.00 0.38 H new ATOM 936 N SER A 58 -1.657 6.049 -14.740 1.00 0.29 N ATOM 937 CA SER A 58 -2.857 6.831 -14.507 1.00 0.27 C ATOM 938 C SER A 58 -2.630 7.836 -13.388 1.00 0.24 C ATOM 939 O SER A 58 -3.057 8.982 -13.485 1.00 0.25 O ATOM 940 CB SER A 58 -4.048 5.935 -14.169 1.00 0.27 C ATOM 941 OG SER A 58 -3.790 5.147 -13.020 1.00 1.13 O ATOM 0 H SER A 58 -1.726 5.067 -14.472 1.00 0.29 H new ATOM 0 HA SER A 58 -3.085 7.368 -15.428 1.00 0.27 H new ATOM 0 HB2 SER A 58 -4.932 6.550 -14.000 1.00 0.27 H new ATOM 0 HB3 SER A 58 -4.269 5.285 -15.016 1.00 0.27 H new ATOM 0 HG SER A 58 -2.847 5.236 -12.767 1.00 1.13 H new ATOM 947 N VAL A 59 -1.948 7.403 -12.330 1.00 0.24 N ATOM 948 CA VAL A 59 -1.670 8.281 -11.204 1.00 0.23 C ATOM 949 C VAL A 59 -0.696 9.366 -11.641 1.00 0.23 C ATOM 950 O VAL A 59 -0.741 10.493 -11.148 1.00 0.22 O ATOM 951 CB VAL A 59 -1.113 7.512 -9.984 1.00 0.25 C ATOM 952 CG1 VAL A 59 0.320 7.062 -10.215 1.00 0.27 C ATOM 953 CG2 VAL A 59 -1.216 8.362 -8.727 1.00 0.26 C ATOM 0 H VAL A 59 -1.582 6.456 -12.232 1.00 0.24 H new ATOM 0 HA VAL A 59 -2.610 8.732 -10.888 1.00 0.23 H new ATOM 0 HB VAL A 59 -1.720 6.617 -9.849 1.00 0.25 H new ATOM 0 HG11 VAL A 59 0.679 6.525 -9.337 1.00 0.27 H new ATOM 0 HG12 VAL A 59 0.359 6.405 -11.084 1.00 0.27 H new ATOM 0 HG13 VAL A 59 0.951 7.933 -10.390 1.00 0.27 H new ATOM 0 HG21 VAL A 59 -0.820 7.805 -7.878 1.00 0.26 H new ATOM 0 HG22 VAL A 59 -0.642 9.279 -8.860 1.00 0.26 H new ATOM 0 HG23 VAL A 59 -2.261 8.612 -8.541 1.00 0.26 H new ATOM 963 N LYS A 60 0.187 9.010 -12.574 1.00 0.26 N ATOM 964 CA LYS A 60 1.145 9.963 -13.116 1.00 0.27 C ATOM 965 C LYS A 60 0.398 11.097 -13.805 1.00 0.26 C ATOM 966 O LYS A 60 0.591 12.270 -13.485 1.00 0.26 O ATOM 967 CB LYS A 60 2.075 9.279 -14.120 1.00 0.31 C ATOM 968 CG LYS A 60 3.335 8.700 -13.504 1.00 0.99 C ATOM 969 CD LYS A 60 4.330 8.295 -14.578 1.00 0.98 C ATOM 970 CE LYS A 60 5.557 7.629 -13.981 1.00 1.26 C ATOM 971 NZ LYS A 60 6.592 7.346 -15.012 1.00 1.78 N ATOM 0 H LYS A 60 0.256 8.071 -12.967 1.00 0.26 H new ATOM 0 HA LYS A 60 1.746 10.360 -12.298 1.00 0.27 H new ATOM 0 HB2 LYS A 60 1.528 8.480 -14.620 1.00 0.31 H new ATOM 0 HB3 LYS A 60 2.357 10.000 -14.887 1.00 0.31 H new ATOM 0 HG2 LYS A 60 3.790 9.435 -12.840 1.00 0.99 H new ATOM 0 HG3 LYS A 60 3.081 7.833 -12.894 1.00 0.99 H new ATOM 0 HD2 LYS A 60 3.851 7.613 -15.280 1.00 0.98 H new ATOM 0 HD3 LYS A 60 4.633 9.175 -15.145 1.00 0.98 H new ATOM 0 HE2 LYS A 60 5.980 8.272 -13.209 1.00 1.26 H new ATOM 0 HE3 LYS A 60 5.265 6.698 -13.495 1.00 1.26 H new ATOM 0 HZ1 LYS A 60 7.413 6.891 -14.564 1.00 1.78 H new ATOM 0 HZ2 LYS A 60 6.197 6.712 -15.735 1.00 1.78 H new ATOM 0 HZ3 LYS A 60 6.890 8.237 -15.458 1.00 1.78 H new ATOM 985 N GLU A 61 -0.459 10.732 -14.759 1.00 0.26 N ATOM 986 CA GLU A 61 -1.255 11.714 -15.486 1.00 0.26 C ATOM 987 C GLU A 61 -2.226 12.406 -14.536 1.00 0.24 C ATOM 988 O GLU A 61 -2.565 13.577 -14.714 1.00 0.24 O ATOM 989 CB GLU A 61 -2.030 11.040 -16.622 1.00 0.27 C ATOM 990 CG GLU A 61 -1.137 10.410 -17.679 1.00 1.22 C ATOM 991 CD GLU A 61 -1.929 9.760 -18.798 1.00 1.54 C ATOM 992 OE1 GLU A 61 -2.282 10.468 -19.764 1.00 1.78 O ATOM 993 OE2 GLU A 61 -2.199 8.544 -18.707 1.00 1.88 O ATOM 0 H GLU A 61 -0.618 9.766 -15.044 1.00 0.26 H new ATOM 0 HA GLU A 61 -0.582 12.457 -15.914 1.00 0.26 H new ATOM 0 HB2 GLU A 61 -2.679 10.272 -16.202 1.00 0.27 H new ATOM 0 HB3 GLU A 61 -2.676 11.778 -17.097 1.00 0.27 H new ATOM 0 HG2 GLU A 61 -0.482 11.174 -18.098 1.00 1.22 H new ATOM 0 HG3 GLU A 61 -0.497 9.663 -17.210 1.00 1.22 H new ATOM 1000 N ILE A 62 -2.668 11.663 -13.527 1.00 0.24 N ATOM 1001 CA ILE A 62 -3.596 12.174 -12.528 1.00 0.23 C ATOM 1002 C ILE A 62 -3.035 13.414 -11.839 1.00 0.25 C ATOM 1003 O ILE A 62 -3.770 14.353 -11.531 1.00 0.27 O ATOM 1004 CB ILE A 62 -3.918 11.086 -11.476 1.00 0.26 C ATOM 1005 CG1 ILE A 62 -5.153 10.287 -11.914 1.00 0.29 C ATOM 1006 CG2 ILE A 62 -4.115 11.691 -10.088 1.00 0.25 C ATOM 1007 CD1 ILE A 62 -5.585 9.230 -10.921 1.00 0.33 C ATOM 0 H ILE A 62 -2.393 10.692 -13.380 1.00 0.24 H new ATOM 0 HA ILE A 62 -4.516 12.452 -13.042 1.00 0.23 H new ATOM 0 HB ILE A 62 -3.067 10.408 -11.410 1.00 0.26 H new ATOM 0 HG12 ILE A 62 -5.981 10.977 -12.078 1.00 0.29 H new ATOM 0 HG13 ILE A 62 -4.943 9.808 -12.871 1.00 0.29 H new ATOM 0 HG21 ILE A 62 -4.340 10.898 -9.374 1.00 0.25 H new ATOM 0 HG22 ILE A 62 -3.204 12.207 -9.783 1.00 0.25 H new ATOM 0 HG23 ILE A 62 -4.942 12.401 -10.114 1.00 0.25 H new ATOM 0 HD11 ILE A 62 -6.463 8.709 -11.303 1.00 0.33 H new ATOM 0 HD12 ILE A 62 -4.775 8.516 -10.775 1.00 0.33 H new ATOM 0 HD13 ILE A 62 -5.828 9.703 -9.969 1.00 0.33 H new ATOM 1019 N GLY A 63 -1.730 13.408 -11.605 1.00 0.30 N ATOM 1020 CA GLY A 63 -1.091 14.531 -10.950 1.00 0.37 C ATOM 1021 C GLY A 63 -0.030 14.089 -9.968 1.00 0.46 C ATOM 1022 O GLY A 63 1.040 14.692 -9.876 1.00 0.74 O ATOM 0 H GLY A 63 -1.102 12.645 -11.857 1.00 0.30 H new ATOM 0 HA2 GLY A 63 -0.641 15.180 -11.701 1.00 0.37 H new ATOM 0 HA3 GLY A 63 -1.844 15.122 -10.428 1.00 0.37 H new ATOM 1026 N GLY A 64 -0.334 13.027 -9.234 1.00 0.29 N ATOM 1027 CA GLY A 64 0.593 12.505 -8.254 1.00 0.35 C ATOM 1028 C GLY A 64 -0.125 11.762 -7.148 1.00 0.38 C ATOM 1029 O GLY A 64 -1.308 11.453 -7.274 1.00 0.50 O ATOM 0 H GLY A 64 -1.214 12.515 -9.302 1.00 0.29 H new ATOM 0 HA2 GLY A 64 1.301 11.836 -8.743 1.00 0.35 H new ATOM 0 HA3 GLY A 64 1.171 13.324 -7.827 1.00 0.35 H new ATOM 1033 N LEU A 65 0.585 11.474 -6.064 1.00 0.32 N ATOM 1034 CA LEU A 65 -0.007 10.754 -4.942 1.00 0.35 C ATOM 1035 C LEU A 65 -0.959 11.637 -4.138 1.00 0.32 C ATOM 1036 O LEU A 65 -2.069 11.220 -3.807 1.00 0.35 O ATOM 1037 CB LEU A 65 1.066 10.144 -4.017 1.00 0.43 C ATOM 1038 CG LEU A 65 2.474 10.770 -4.049 1.00 0.94 C ATOM 1039 CD1 LEU A 65 3.209 10.409 -5.334 1.00 1.62 C ATOM 1040 CD2 LEU A 65 2.416 12.281 -3.870 1.00 0.86 C ATOM 0 H LEU A 65 1.565 11.726 -5.938 1.00 0.32 H new ATOM 0 HA LEU A 65 -0.585 9.937 -5.373 1.00 0.35 H new ATOM 0 HB2 LEU A 65 0.697 10.198 -2.993 1.00 0.43 H new ATOM 0 HB3 LEU A 65 1.162 9.087 -4.265 1.00 0.43 H new ATOM 0 HG LEU A 65 3.032 10.354 -3.210 1.00 0.94 H new ATOM 0 HD11 LEU A 65 4.199 10.865 -5.327 1.00 1.62 H new ATOM 0 HD12 LEU A 65 3.309 9.326 -5.404 1.00 1.62 H new ATOM 0 HD13 LEU A 65 2.646 10.778 -6.191 1.00 1.62 H new ATOM 0 HD21 LEU A 65 3.426 12.690 -3.898 1.00 0.86 H new ATOM 0 HD22 LEU A 65 1.825 12.720 -4.674 1.00 0.86 H new ATOM 0 HD23 LEU A 65 1.956 12.516 -2.910 1.00 0.86 H new ATOM 1052 N THR A 66 -0.529 12.856 -3.828 1.00 0.35 N ATOM 1053 CA THR A 66 -1.356 13.781 -3.064 1.00 0.36 C ATOM 1054 C THR A 66 -2.578 14.202 -3.865 1.00 0.30 C ATOM 1055 O THR A 66 -3.632 14.497 -3.301 1.00 0.28 O ATOM 1056 CB THR A 66 -0.570 15.039 -2.652 1.00 0.47 C ATOM 1057 OG1 THR A 66 0.686 15.079 -3.337 1.00 0.76 O ATOM 1058 CG2 THR A 66 -0.340 15.068 -1.149 1.00 0.65 C ATOM 0 H THR A 66 0.384 13.225 -4.093 1.00 0.35 H new ATOM 0 HA THR A 66 -1.671 13.253 -2.164 1.00 0.36 H new ATOM 0 HB THR A 66 -1.159 15.914 -2.927 1.00 0.47 H new ATOM 0 HG1 THR A 66 1.179 15.883 -3.070 1.00 0.76 H new ATOM 0 HG21 THR A 66 0.217 15.966 -0.883 1.00 0.65 H new ATOM 0 HG22 THR A 66 -1.301 15.071 -0.634 1.00 0.65 H new ATOM 0 HG23 THR A 66 0.228 14.187 -0.851 1.00 0.65 H new ATOM 1066 N GLN A 67 -2.430 14.228 -5.185 1.00 0.30 N ATOM 1067 CA GLN A 67 -3.525 14.613 -6.062 1.00 0.29 C ATOM 1068 C GLN A 67 -4.679 13.628 -5.931 1.00 0.23 C ATOM 1069 O GLN A 67 -5.842 14.021 -5.952 1.00 0.28 O ATOM 1070 CB GLN A 67 -3.041 14.709 -7.513 1.00 0.35 C ATOM 1071 CG GLN A 67 -1.745 15.484 -7.654 1.00 0.93 C ATOM 1072 CD GLN A 67 -1.803 16.851 -6.998 1.00 1.08 C ATOM 1073 OE1 GLN A 67 -1.483 17.000 -5.818 1.00 1.29 O ATOM 1074 NE2 GLN A 67 -2.212 17.857 -7.763 1.00 1.77 N ATOM 0 H GLN A 67 -1.565 13.988 -5.668 1.00 0.30 H new ATOM 0 HA GLN A 67 -3.885 15.597 -5.763 1.00 0.29 H new ATOM 0 HB2 GLN A 67 -2.902 13.704 -7.911 1.00 0.35 H new ATOM 0 HB3 GLN A 67 -3.812 15.188 -8.117 1.00 0.35 H new ATOM 0 HG2 GLN A 67 -0.932 14.908 -7.211 1.00 0.93 H new ATOM 0 HG3 GLN A 67 -1.512 15.603 -8.712 1.00 0.93 H new ATOM 0 HE21 GLN A 67 -2.467 17.687 -8.736 1.00 1.77 H new ATOM 0 HE22 GLN A 67 -2.271 18.800 -7.378 1.00 1.77 H new ATOM 1083 N VAL A 68 -4.355 12.348 -5.789 1.00 0.22 N ATOM 1084 CA VAL A 68 -5.380 11.322 -5.632 1.00 0.26 C ATOM 1085 C VAL A 68 -6.186 11.559 -4.366 1.00 0.28 C ATOM 1086 O VAL A 68 -7.400 11.383 -4.341 1.00 0.39 O ATOM 1087 CB VAL A 68 -4.767 9.916 -5.522 1.00 0.37 C ATOM 1088 CG1 VAL A 68 -5.858 8.856 -5.526 1.00 0.69 C ATOM 1089 CG2 VAL A 68 -3.764 9.659 -6.634 1.00 0.52 C ATOM 0 H VAL A 68 -3.397 11.997 -5.779 1.00 0.22 H new ATOM 0 HA VAL A 68 -6.014 11.383 -6.517 1.00 0.26 H new ATOM 0 HB VAL A 68 -4.231 9.859 -4.574 1.00 0.37 H new ATOM 0 HG11 VAL A 68 -5.405 7.868 -5.447 1.00 0.69 H new ATOM 0 HG12 VAL A 68 -6.525 9.018 -4.680 1.00 0.69 H new ATOM 0 HG13 VAL A 68 -6.426 8.922 -6.454 1.00 0.69 H new ATOM 0 HG21 VAL A 68 -3.350 8.656 -6.526 1.00 0.52 H new ATOM 0 HG22 VAL A 68 -4.262 9.744 -7.600 1.00 0.52 H new ATOM 0 HG23 VAL A 68 -2.959 10.392 -6.575 1.00 0.52 H new ATOM 1099 N ASN A 69 -5.487 11.984 -3.324 1.00 0.24 N ATOM 1100 CA ASN A 69 -6.089 12.192 -2.016 1.00 0.29 C ATOM 1101 C ASN A 69 -7.094 13.350 -1.947 1.00 0.31 C ATOM 1102 O ASN A 69 -7.984 13.329 -1.097 1.00 0.40 O ATOM 1103 CB ASN A 69 -4.989 12.421 -0.976 1.00 0.30 C ATOM 1104 CG ASN A 69 -5.544 12.564 0.429 1.00 0.43 C ATOM 1105 OD1 ASN A 69 -5.840 13.670 0.882 1.00 1.20 O ATOM 1106 ND2 ASN A 69 -5.687 11.443 1.127 1.00 1.17 N ATOM 0 H ASN A 69 -4.489 12.194 -3.361 1.00 0.24 H new ATOM 0 HA ASN A 69 -6.658 11.286 -1.808 1.00 0.29 H new ATOM 0 HB2 ASN A 69 -4.287 11.588 -1.004 1.00 0.30 H new ATOM 0 HB3 ASN A 69 -4.428 13.319 -1.236 1.00 0.30 H new ATOM 0 HD21 ASN A 69 -6.055 11.478 2.078 1.00 1.17 H new ATOM 0 HD22 ASN A 69 -5.429 10.548 0.712 1.00 1.17 H new ATOM 1113 N LYS A 70 -6.980 14.355 -2.818 1.00 0.28 N ATOM 1114 CA LYS A 70 -7.893 15.502 -2.732 1.00 0.38 C ATOM 1115 C LYS A 70 -8.516 15.921 -4.067 1.00 0.33 C ATOM 1116 O LYS A 70 -9.352 16.825 -4.095 1.00 0.36 O ATOM 1117 CB LYS A 70 -7.146 16.695 -2.131 1.00 0.47 C ATOM 1118 CG LYS A 70 -6.044 17.235 -3.031 1.00 0.46 C ATOM 1119 CD LYS A 70 -4.699 17.253 -2.321 1.00 0.74 C ATOM 1120 CE LYS A 70 -4.638 18.329 -1.249 1.00 1.09 C ATOM 1121 NZ LYS A 70 -3.266 18.484 -0.692 1.00 1.81 N ATOM 0 H LYS A 70 -6.290 14.402 -3.568 1.00 0.28 H new ATOM 0 HA LYS A 70 -8.721 15.182 -2.099 1.00 0.38 H new ATOM 0 HB2 LYS A 70 -7.859 17.493 -1.923 1.00 0.47 H new ATOM 0 HB3 LYS A 70 -6.712 16.399 -1.176 1.00 0.47 H new ATOM 0 HG2 LYS A 70 -5.974 16.621 -3.929 1.00 0.46 H new ATOM 0 HG3 LYS A 70 -6.299 18.244 -3.354 1.00 0.46 H new ATOM 0 HD2 LYS A 70 -4.514 16.279 -1.868 1.00 0.74 H new ATOM 0 HD3 LYS A 70 -3.906 17.421 -3.050 1.00 0.74 H new ATOM 0 HE2 LYS A 70 -4.968 19.279 -1.670 1.00 1.09 H new ATOM 0 HE3 LYS A 70 -5.330 18.079 -0.445 1.00 1.09 H new ATOM 0 HZ1 LYS A 70 -3.269 19.227 0.035 1.00 1.81 H new ATOM 0 HZ2 LYS A 70 -2.960 17.585 -0.267 1.00 1.81 H new ATOM 0 HZ3 LYS A 70 -2.610 18.748 -1.454 1.00 1.81 H new ATOM 1135 N ASN A 71 -8.132 15.287 -5.167 1.00 0.28 N ATOM 1136 CA ASN A 71 -8.675 15.669 -6.472 1.00 0.27 C ATOM 1137 C ASN A 71 -9.773 14.725 -6.966 1.00 0.28 C ATOM 1138 O ASN A 71 -10.106 14.742 -8.152 1.00 0.29 O ATOM 1139 CB ASN A 71 -7.556 15.766 -7.511 1.00 0.24 C ATOM 1140 CG ASN A 71 -6.555 16.859 -7.187 1.00 0.99 C ATOM 1141 OD1 ASN A 71 -5.375 16.754 -7.524 1.00 1.94 O ATOM 1142 ND2 ASN A 71 -7.018 17.917 -6.528 1.00 1.26 N ATOM 0 H ASN A 71 -7.460 14.520 -5.188 1.00 0.28 H new ATOM 0 HA ASN A 71 -9.137 16.647 -6.339 1.00 0.27 H new ATOM 0 HB2 ASN A 71 -7.037 14.809 -7.572 1.00 0.24 H new ATOM 0 HB3 ASN A 71 -7.991 15.956 -8.492 1.00 0.24 H new ATOM 0 HD21 ASN A 71 -6.388 18.681 -6.283 1.00 1.26 H new ATOM 0 HD22 ASN A 71 -8.003 17.965 -6.267 1.00 1.26 H new ATOM 1149 N LYS A 72 -10.340 13.909 -6.075 1.00 0.30 N ATOM 1150 CA LYS A 72 -11.411 12.990 -6.477 1.00 0.33 C ATOM 1151 C LYS A 72 -10.938 12.093 -7.606 1.00 0.30 C ATOM 1152 O LYS A 72 -11.733 11.568 -8.387 1.00 0.33 O ATOM 1153 CB LYS A 72 -12.637 13.804 -6.905 1.00 0.40 C ATOM 1154 CG LYS A 72 -13.888 12.981 -7.170 1.00 0.85 C ATOM 1155 CD LYS A 72 -15.041 13.861 -7.625 1.00 0.88 C ATOM 1156 CE LYS A 72 -14.692 14.616 -8.892 1.00 1.61 C ATOM 1157 NZ LYS A 72 -15.869 15.327 -9.462 1.00 2.04 N ATOM 0 H LYS A 72 -10.083 13.864 -5.089 1.00 0.30 H new ATOM 0 HA LYS A 72 -11.683 12.353 -5.635 1.00 0.33 H new ATOM 0 HB2 LYS A 72 -12.859 14.536 -6.129 1.00 0.40 H new ATOM 0 HB3 LYS A 72 -12.388 14.362 -7.808 1.00 0.40 H new ATOM 0 HG2 LYS A 72 -13.678 12.230 -7.932 1.00 0.85 H new ATOM 0 HG3 LYS A 72 -14.172 12.445 -6.264 1.00 0.85 H new ATOM 0 HD2 LYS A 72 -15.924 13.246 -7.797 1.00 0.88 H new ATOM 0 HD3 LYS A 72 -15.294 14.569 -6.836 1.00 0.88 H new ATOM 0 HE2 LYS A 72 -13.902 15.336 -8.678 1.00 1.61 H new ATOM 0 HE3 LYS A 72 -14.297 13.919 -9.631 1.00 1.61 H new ATOM 0 HZ1 LYS A 72 -15.585 15.830 -10.327 1.00 2.04 H new ATOM 0 HZ2 LYS A 72 -16.614 14.638 -9.690 1.00 2.04 H new ATOM 0 HZ3 LYS A 72 -16.231 16.011 -8.767 1.00 2.04 H new ATOM 1171 N LYS A 73 -9.631 11.911 -7.681 1.00 0.25 N ATOM 1172 CA LYS A 73 -9.051 11.071 -8.706 1.00 0.24 C ATOM 1173 C LYS A 73 -9.351 9.609 -8.429 1.00 0.23 C ATOM 1174 O LYS A 73 -9.405 8.809 -9.356 1.00 0.25 O ATOM 1175 CB LYS A 73 -7.548 11.295 -8.796 1.00 0.31 C ATOM 1176 CG LYS A 73 -7.165 12.741 -9.062 1.00 0.35 C ATOM 1177 CD LYS A 73 -7.287 13.095 -10.538 1.00 0.36 C ATOM 1178 CE LYS A 73 -8.707 13.482 -10.916 1.00 0.79 C ATOM 1179 NZ LYS A 73 -8.775 14.070 -12.281 1.00 0.77 N ATOM 0 H LYS A 73 -8.955 12.334 -7.045 1.00 0.25 H new ATOM 0 HA LYS A 73 -9.498 11.342 -9.663 1.00 0.24 H new ATOM 0 HB2 LYS A 73 -7.084 10.970 -7.865 1.00 0.31 H new ATOM 0 HB3 LYS A 73 -7.142 10.668 -9.590 1.00 0.31 H new ATOM 0 HG2 LYS A 73 -7.805 13.400 -8.476 1.00 0.35 H new ATOM 0 HG3 LYS A 73 -6.141 12.913 -8.730 1.00 0.35 H new ATOM 0 HD2 LYS A 73 -6.613 13.920 -10.770 1.00 0.36 H new ATOM 0 HD3 LYS A 73 -6.970 12.245 -11.142 1.00 0.36 H new ATOM 0 HE2 LYS A 73 -9.349 12.602 -10.867 1.00 0.79 H new ATOM 0 HE3 LYS A 73 -9.093 14.199 -10.192 1.00 0.79 H new ATOM 0 HZ1 LYS A 73 -9.375 14.919 -12.264 1.00 0.77 H new ATOM 0 HZ2 LYS A 73 -7.818 14.328 -12.596 1.00 0.77 H new ATOM 0 HZ3 LYS A 73 -9.180 13.374 -12.939 1.00 0.77 H new ATOM 1193 N TRP A 74 -9.550 9.258 -7.154 1.00 0.22 N ATOM 1194 CA TRP A 74 -9.858 7.873 -6.807 1.00 0.24 C ATOM 1195 C TRP A 74 -10.978 7.366 -7.692 1.00 0.23 C ATOM 1196 O TRP A 74 -10.948 6.229 -8.167 1.00 0.22 O ATOM 1197 CB TRP A 74 -10.259 7.700 -5.336 1.00 0.26 C ATOM 1198 CG TRP A 74 -10.475 8.974 -4.576 1.00 0.43 C ATOM 1199 CD1 TRP A 74 -9.551 9.646 -3.832 1.00 1.46 C ATOM 1200 CD2 TRP A 74 -11.699 9.709 -4.454 1.00 0.82 C ATOM 1201 NE1 TRP A 74 -10.120 10.760 -3.265 1.00 1.40 N ATOM 1202 CE2 TRP A 74 -11.438 10.821 -3.630 1.00 0.70 C ATOM 1203 CE3 TRP A 74 -12.990 9.541 -4.965 1.00 2.03 C ATOM 1204 CZ2 TRP A 74 -12.418 11.756 -3.305 1.00 1.11 C ATOM 1205 CZ3 TRP A 74 -13.962 10.468 -4.641 1.00 2.68 C ATOM 1206 CH2 TRP A 74 -13.672 11.564 -3.819 1.00 2.12 C ATOM 0 H TRP A 74 -9.504 9.900 -6.363 1.00 0.22 H new ATOM 0 HA TRP A 74 -8.947 7.295 -6.965 1.00 0.24 H new ATOM 0 HB2 TRP A 74 -11.175 7.111 -5.293 1.00 0.26 H new ATOM 0 HB3 TRP A 74 -9.485 7.122 -4.831 1.00 0.26 H new ATOM 0 HD1 TRP A 74 -8.521 9.346 -3.707 1.00 1.46 H new ATOM 0 HE1 TRP A 74 -9.639 11.433 -2.669 1.00 1.40 H new ATOM 0 HE3 TRP A 74 -13.223 8.701 -5.602 1.00 2.03 H new ATOM 0 HZ2 TRP A 74 -12.197 12.602 -2.671 1.00 1.11 H new ATOM 0 HZ3 TRP A 74 -14.963 10.345 -5.028 1.00 2.68 H new ATOM 0 HH2 TRP A 74 -14.454 12.272 -3.586 1.00 2.12 H new ATOM 1217 N ARG A 75 -11.966 8.222 -7.918 1.00 0.25 N ATOM 1218 CA ARG A 75 -13.091 7.855 -8.762 1.00 0.26 C ATOM 1219 C ARG A 75 -12.642 7.707 -10.212 1.00 0.23 C ATOM 1220 O ARG A 75 -13.176 6.883 -10.955 1.00 0.23 O ATOM 1221 CB ARG A 75 -14.207 8.895 -8.648 1.00 0.30 C ATOM 1222 CG ARG A 75 -15.490 8.489 -9.352 1.00 0.43 C ATOM 1223 CD ARG A 75 -16.712 9.072 -8.659 1.00 0.48 C ATOM 1224 NE ARG A 75 -17.946 8.768 -9.378 1.00 1.25 N ATOM 1225 CZ ARG A 75 -19.145 8.725 -8.802 1.00 1.68 C ATOM 1226 NH1 ARG A 75 -19.270 8.960 -7.503 1.00 1.51 N ATOM 1227 NH2 ARG A 75 -20.220 8.447 -9.526 1.00 2.57 N ATOM 0 H ARG A 75 -12.010 9.165 -7.532 1.00 0.25 H new ATOM 0 HA ARG A 75 -13.480 6.895 -8.422 1.00 0.26 H new ATOM 0 HB2 ARG A 75 -14.421 9.072 -7.594 1.00 0.30 H new ATOM 0 HB3 ARG A 75 -13.857 9.839 -9.065 1.00 0.30 H new ATOM 0 HG2 ARG A 75 -15.461 8.827 -10.388 1.00 0.43 H new ATOM 0 HG3 ARG A 75 -15.566 7.402 -9.374 1.00 0.43 H new ATOM 0 HD2 ARG A 75 -16.777 8.677 -7.645 1.00 0.48 H new ATOM 0 HD3 ARG A 75 -16.599 10.153 -8.574 1.00 0.48 H new ATOM 0 HE ARG A 75 -17.886 8.578 -10.378 1.00 1.25 H new ATOM 0 HH11 ARG A 75 -18.446 9.175 -6.942 1.00 1.51 H new ATOM 0 HH12 ARG A 75 -20.190 8.926 -7.065 1.00 1.51 H new ATOM 0 HH21 ARG A 75 -20.129 8.266 -10.526 1.00 2.57 H new ATOM 0 HH22 ARG A 75 -21.138 8.414 -9.083 1.00 2.57 H new ATOM 1241 N GLU A 76 -11.654 8.505 -10.607 1.00 0.23 N ATOM 1242 CA GLU A 76 -11.133 8.456 -11.968 1.00 0.22 C ATOM 1243 C GLU A 76 -10.311 7.194 -12.209 1.00 0.20 C ATOM 1244 O GLU A 76 -10.474 6.545 -13.237 1.00 0.20 O ATOM 1245 CB GLU A 76 -10.300 9.698 -12.272 1.00 0.25 C ATOM 1246 CG GLU A 76 -9.543 9.621 -13.589 1.00 1.27 C ATOM 1247 CD GLU A 76 -8.852 10.923 -13.942 1.00 1.67 C ATOM 1248 OE1 GLU A 76 -9.535 11.839 -14.446 1.00 2.05 O ATOM 1249 OE2 GLU A 76 -7.628 11.026 -13.714 1.00 2.09 O ATOM 0 H GLU A 76 -11.200 9.192 -10.005 1.00 0.23 H new ATOM 0 HA GLU A 76 -11.987 8.432 -12.645 1.00 0.22 H new ATOM 0 HB2 GLU A 76 -10.956 10.568 -12.291 1.00 0.25 H new ATOM 0 HB3 GLU A 76 -9.587 9.853 -11.462 1.00 0.25 H new ATOM 0 HG2 GLU A 76 -8.801 8.824 -13.531 1.00 1.27 H new ATOM 0 HG3 GLU A 76 -10.236 9.354 -14.387 1.00 1.27 H new ATOM 1256 N LEU A 77 -9.414 6.852 -11.281 1.00 0.19 N ATOM 1257 CA LEU A 77 -8.612 5.646 -11.440 1.00 0.19 C ATOM 1258 C LEU A 77 -9.507 4.425 -11.319 1.00 0.19 C ATOM 1259 O LEU A 77 -9.260 3.397 -11.952 1.00 0.22 O ATOM 1260 CB LEU A 77 -7.459 5.569 -10.430 1.00 0.20 C ATOM 1261 CG LEU A 77 -7.778 6.007 -9.000 1.00 0.18 C ATOM 1262 CD1 LEU A 77 -7.388 4.921 -8.019 1.00 0.21 C ATOM 1263 CD2 LEU A 77 -7.044 7.289 -8.651 1.00 0.24 C ATOM 0 H LEU A 77 -9.230 7.383 -10.430 1.00 0.19 H new ATOM 0 HA LEU A 77 -8.158 5.677 -12.430 1.00 0.19 H new ATOM 0 HB2 LEU A 77 -7.099 4.541 -10.400 1.00 0.20 H new ATOM 0 HB3 LEU A 77 -6.638 6.183 -10.801 1.00 0.20 H new ATOM 0 HG LEU A 77 -8.851 6.187 -8.935 1.00 0.18 H new ATOM 0 HD11 LEU A 77 -7.621 5.246 -7.005 1.00 0.21 H new ATOM 0 HD12 LEU A 77 -7.943 4.011 -8.244 1.00 0.21 H new ATOM 0 HD13 LEU A 77 -6.319 4.724 -8.101 1.00 0.21 H new ATOM 0 HD21 LEU A 77 -7.287 7.581 -7.629 1.00 0.24 H new ATOM 0 HD22 LEU A 77 -5.969 7.128 -8.737 1.00 0.24 H new ATOM 0 HD23 LEU A 77 -7.348 8.080 -9.336 1.00 0.24 H new ATOM 1275 N ALA A 78 -10.549 4.539 -10.500 1.00 0.20 N ATOM 1276 CA ALA A 78 -11.495 3.450 -10.337 1.00 0.21 C ATOM 1277 C ALA A 78 -12.242 3.247 -11.647 1.00 0.21 C ATOM 1278 O ALA A 78 -12.452 2.123 -12.100 1.00 0.23 O ATOM 1279 CB ALA A 78 -12.465 3.754 -9.205 1.00 0.24 C ATOM 0 H ALA A 78 -10.755 5.369 -9.945 1.00 0.20 H new ATOM 0 HA ALA A 78 -10.961 2.535 -10.080 1.00 0.21 H new ATOM 0 HB1 ALA A 78 -13.167 2.928 -9.096 1.00 0.24 H new ATOM 0 HB2 ALA A 78 -11.910 3.884 -8.276 1.00 0.24 H new ATOM 0 HB3 ALA A 78 -13.013 4.669 -9.431 1.00 0.24 H new ATOM 1285 N THR A 79 -12.622 4.364 -12.252 1.00 0.21 N ATOM 1286 CA THR A 79 -13.329 4.363 -13.523 1.00 0.23 C ATOM 1287 C THR A 79 -12.386 3.980 -14.666 1.00 0.24 C ATOM 1288 O THR A 79 -12.793 3.343 -15.639 1.00 0.28 O ATOM 1289 CB THR A 79 -13.927 5.760 -13.813 1.00 0.25 C ATOM 1290 OG1 THR A 79 -14.884 6.105 -12.805 1.00 0.25 O ATOM 1291 CG2 THR A 79 -14.590 5.800 -15.183 1.00 0.30 C ATOM 0 H THR A 79 -12.448 5.296 -11.875 1.00 0.21 H new ATOM 0 HA THR A 79 -14.132 3.629 -13.455 1.00 0.23 H new ATOM 0 HB THR A 79 -13.111 6.483 -13.803 1.00 0.25 H new ATOM 0 HG1 THR A 79 -14.439 6.149 -11.933 1.00 0.25 H new ATOM 0 HG21 THR A 79 -15.001 6.794 -15.359 1.00 0.30 H new ATOM 0 HG22 THR A 79 -13.852 5.571 -15.951 1.00 0.30 H new ATOM 0 HG23 THR A 79 -15.393 5.063 -15.220 1.00 0.30 H new ATOM 1299 N ASN A 80 -11.122 4.377 -14.528 1.00 0.22 N ATOM 1300 CA ASN A 80 -10.103 4.112 -15.544 1.00 0.25 C ATOM 1301 C ASN A 80 -9.859 2.619 -15.719 1.00 0.29 C ATOM 1302 O ASN A 80 -9.752 2.126 -16.841 1.00 0.37 O ATOM 1303 CB ASN A 80 -8.788 4.805 -15.164 1.00 0.25 C ATOM 1304 CG ASN A 80 -7.657 4.450 -16.111 1.00 0.98 C ATOM 1305 OD1 ASN A 80 -7.877 4.211 -17.299 1.00 1.68 O ATOM 1306 ND2 ASN A 80 -6.437 4.414 -15.589 1.00 1.75 N ATOM 0 H ASN A 80 -10.776 4.888 -13.715 1.00 0.22 H new ATOM 0 HA ASN A 80 -10.470 4.510 -16.490 1.00 0.25 H new ATOM 0 HB2 ASN A 80 -8.935 5.885 -15.166 1.00 0.25 H new ATOM 0 HB3 ASN A 80 -8.511 4.523 -14.148 1.00 0.25 H new ATOM 0 HD21 ASN A 80 -5.637 4.182 -16.178 1.00 1.75 H new ATOM 0 HD22 ASN A 80 -6.300 4.619 -14.599 1.00 1.75 H new ATOM 1313 N LEU A 81 -9.772 1.908 -14.606 1.00 0.36 N ATOM 1314 CA LEU A 81 -9.531 0.473 -14.635 1.00 0.40 C ATOM 1315 C LEU A 81 -10.847 -0.288 -14.677 1.00 0.42 C ATOM 1316 O LEU A 81 -10.894 -1.488 -14.397 1.00 0.45 O ATOM 1317 CB LEU A 81 -8.698 0.070 -13.418 1.00 0.41 C ATOM 1318 CG LEU A 81 -7.519 1.003 -13.117 1.00 0.44 C ATOM 1319 CD1 LEU A 81 -6.757 0.535 -11.887 1.00 0.43 C ATOM 1320 CD2 LEU A 81 -6.588 1.098 -14.319 1.00 0.50 C ATOM 0 H LEU A 81 -9.865 2.301 -13.670 1.00 0.36 H new ATOM 0 HA LEU A 81 -8.975 0.219 -15.537 1.00 0.40 H new ATOM 0 HB2 LEU A 81 -9.349 0.034 -12.544 1.00 0.41 H new ATOM 0 HB3 LEU A 81 -8.316 -0.939 -13.573 1.00 0.41 H new ATOM 0 HG LEU A 81 -7.918 1.996 -12.912 1.00 0.44 H new ATOM 0 HD11 LEU A 81 -5.926 1.213 -11.694 1.00 0.43 H new ATOM 0 HD12 LEU A 81 -7.426 0.527 -11.026 1.00 0.43 H new ATOM 0 HD13 LEU A 81 -6.373 -0.471 -12.058 1.00 0.43 H new ATOM 0 HD21 LEU A 81 -5.758 1.765 -14.085 1.00 0.50 H new ATOM 0 HD22 LEU A 81 -6.201 0.108 -14.559 1.00 0.50 H new ATOM 0 HD23 LEU A 81 -7.138 1.490 -15.175 1.00 0.50 H new ATOM 1332 N ASN A 82 -11.909 0.423 -15.050 1.00 0.44 N ATOM 1333 CA ASN A 82 -13.242 -0.160 -15.144 1.00 0.48 C ATOM 1334 C ASN A 82 -13.531 -1.058 -13.949 1.00 0.43 C ATOM 1335 O ASN A 82 -13.502 -2.281 -14.059 1.00 0.66 O ATOM 1336 CB ASN A 82 -13.383 -0.955 -16.444 1.00 0.57 C ATOM 1337 CG ASN A 82 -13.164 -0.095 -17.673 1.00 1.28 C ATOM 1338 OD1 ASN A 82 -14.102 0.493 -18.210 1.00 2.00 O ATOM 1339 ND2 ASN A 82 -11.919 -0.020 -18.127 1.00 2.01 N ATOM 0 H ASN A 82 -11.869 1.413 -15.294 1.00 0.44 H new ATOM 0 HA ASN A 82 -13.967 0.654 -15.144 1.00 0.48 H new ATOM 0 HB2 ASN A 82 -12.665 -1.775 -16.445 1.00 0.57 H new ATOM 0 HB3 ASN A 82 -14.377 -1.401 -16.488 1.00 0.57 H new ATOM 0 HD21 ASN A 82 -11.710 0.542 -18.952 1.00 2.01 H new ATOM 0 HD22 ASN A 82 -11.171 -0.524 -17.651 1.00 2.01 H new ATOM 1346 N VAL A 83 -13.797 -0.444 -12.805 1.00 0.35 N ATOM 1347 CA VAL A 83 -14.091 -1.199 -11.597 1.00 0.35 C ATOM 1348 C VAL A 83 -15.562 -1.067 -11.224 1.00 0.43 C ATOM 1349 O VAL A 83 -16.108 -1.911 -10.513 1.00 0.50 O ATOM 1350 CB VAL A 83 -13.218 -0.735 -10.417 1.00 0.46 C ATOM 1351 CG1 VAL A 83 -11.761 -0.634 -10.839 1.00 1.16 C ATOM 1352 CG2 VAL A 83 -13.722 0.593 -9.873 1.00 1.39 C ATOM 0 H VAL A 83 -13.815 0.569 -12.689 1.00 0.35 H new ATOM 0 HA VAL A 83 -13.865 -2.245 -11.806 1.00 0.35 H new ATOM 0 HB VAL A 83 -13.288 -1.476 -9.620 1.00 0.46 H new ATOM 0 HG11 VAL A 83 -11.159 -0.305 -9.992 1.00 1.16 H new ATOM 0 HG12 VAL A 83 -11.411 -1.610 -11.175 1.00 1.16 H new ATOM 0 HG13 VAL A 83 -11.667 0.085 -11.653 1.00 1.16 H new ATOM 0 HG21 VAL A 83 -13.094 0.907 -9.039 1.00 1.39 H new ATOM 0 HG22 VAL A 83 -13.684 1.346 -10.660 1.00 1.39 H new ATOM 0 HG23 VAL A 83 -14.750 0.479 -9.530 1.00 1.39 H new ATOM 1362 N GLY A 84 -16.203 -0.003 -11.709 1.00 0.49 N ATOM 1363 CA GLY A 84 -17.609 0.192 -11.420 1.00 0.67 C ATOM 1364 C GLY A 84 -18.049 1.642 -11.429 1.00 0.86 C ATOM 1365 O GLY A 84 -19.100 1.965 -11.984 1.00 1.76 O ATOM 0 H GLY A 84 -15.776 0.718 -12.290 1.00 0.49 H new ATOM 0 HA2 GLY A 84 -18.199 -0.360 -12.152 1.00 0.67 H new ATOM 0 HA3 GLY A 84 -17.831 -0.237 -10.443 1.00 0.67 H new ATOM 1369 N THR A 85 -17.261 2.519 -10.813 1.00 0.54 N ATOM 1370 CA THR A 85 -17.596 3.941 -10.755 1.00 0.53 C ATOM 1371 C THR A 85 -18.927 4.157 -10.037 1.00 0.75 C ATOM 1372 O THR A 85 -19.559 5.204 -10.179 1.00 1.28 O ATOM 1373 CB THR A 85 -17.690 4.567 -12.166 1.00 0.56 C ATOM 1374 OG1 THR A 85 -19.028 4.453 -12.668 1.00 0.64 O ATOM 1375 CG2 THR A 85 -16.731 3.887 -13.131 1.00 0.65 C ATOM 0 H THR A 85 -16.388 2.272 -10.348 1.00 0.54 H new ATOM 0 HA THR A 85 -16.792 4.429 -10.204 1.00 0.53 H new ATOM 0 HB THR A 85 -17.417 5.619 -12.084 1.00 0.56 H new ATOM 0 HG1 THR A 85 -19.258 3.506 -12.774 1.00 0.64 H new ATOM 0 HG21 THR A 85 -16.818 4.347 -14.115 1.00 0.65 H new ATOM 0 HG22 THR A 85 -15.709 3.998 -12.768 1.00 0.65 H new ATOM 0 HG23 THR A 85 -16.977 2.828 -13.203 1.00 0.65 H new ATOM 1383 N SER A 86 -19.340 3.162 -9.256 1.00 1.21 N ATOM 1384 CA SER A 86 -20.602 3.232 -8.526 1.00 1.44 C ATOM 1385 C SER A 86 -20.421 3.847 -7.139 1.00 0.94 C ATOM 1386 O SER A 86 -20.956 3.336 -6.156 1.00 1.80 O ATOM 1387 CB SER A 86 -21.208 1.834 -8.400 1.00 2.34 C ATOM 1388 OG SER A 86 -21.469 1.274 -9.675 1.00 2.95 O ATOM 0 H SER A 86 -18.818 2.297 -9.113 1.00 1.21 H new ATOM 0 HA SER A 86 -21.277 3.876 -9.090 1.00 1.44 H new ATOM 0 HB2 SER A 86 -20.526 1.187 -7.848 1.00 2.34 H new ATOM 0 HB3 SER A 86 -22.133 1.886 -7.826 1.00 2.34 H new ATOM 0 HG SER A 86 -21.854 0.380 -9.567 1.00 2.95 H new ATOM 1394 N SER A 87 -19.674 4.952 -7.076 1.00 0.79 N ATOM 1395 CA SER A 87 -19.423 5.661 -5.817 1.00 1.15 C ATOM 1396 C SER A 87 -18.543 4.847 -4.869 1.00 0.95 C ATOM 1397 O SER A 87 -17.391 5.206 -4.622 1.00 0.92 O ATOM 1398 CB SER A 87 -20.743 6.019 -5.127 1.00 1.76 C ATOM 1399 OG SER A 87 -21.542 6.846 -5.953 1.00 2.42 O ATOM 0 H SER A 87 -19.229 5.378 -7.889 1.00 0.79 H new ATOM 0 HA SER A 87 -18.888 6.577 -6.066 1.00 1.15 H new ATOM 0 HB2 SER A 87 -21.289 5.107 -4.883 1.00 1.76 H new ATOM 0 HB3 SER A 87 -20.538 6.529 -4.186 1.00 1.76 H new ATOM 0 HG SER A 87 -22.379 7.059 -5.491 1.00 2.42 H new ATOM 1405 N SER A 88 -19.088 3.755 -4.341 1.00 0.90 N ATOM 1406 CA SER A 88 -18.349 2.900 -3.416 1.00 0.79 C ATOM 1407 C SER A 88 -17.088 2.353 -4.075 1.00 0.60 C ATOM 1408 O SER A 88 -16.123 1.996 -3.395 1.00 0.53 O ATOM 1409 CB SER A 88 -19.232 1.745 -2.939 1.00 0.91 C ATOM 1410 OG SER A 88 -18.528 0.896 -2.050 1.00 1.36 O ATOM 0 H SER A 88 -20.038 3.441 -4.537 1.00 0.90 H new ATOM 0 HA SER A 88 -18.057 3.503 -2.556 1.00 0.79 H new ATOM 0 HB2 SER A 88 -20.118 2.142 -2.443 1.00 0.91 H new ATOM 0 HB3 SER A 88 -19.579 1.170 -3.798 1.00 0.91 H new ATOM 0 HG SER A 88 -19.115 0.167 -1.759 1.00 1.36 H new ATOM 1416 N ALA A 89 -17.102 2.291 -5.402 1.00 0.54 N ATOM 1417 CA ALA A 89 -15.957 1.796 -6.153 1.00 0.40 C ATOM 1418 C ALA A 89 -14.730 2.658 -5.895 1.00 0.33 C ATOM 1419 O ALA A 89 -13.608 2.158 -5.851 1.00 0.29 O ATOM 1420 CB ALA A 89 -16.274 1.757 -7.640 1.00 0.39 C ATOM 0 H ALA A 89 -17.893 2.577 -5.978 1.00 0.54 H new ATOM 0 HA ALA A 89 -15.740 0.782 -5.817 1.00 0.40 H new ATOM 0 HB1 ALA A 89 -15.408 1.385 -8.187 1.00 0.39 H new ATOM 0 HB2 ALA A 89 -17.124 1.097 -7.814 1.00 0.39 H new ATOM 0 HB3 ALA A 89 -16.518 2.761 -7.987 1.00 0.39 H new ATOM 1426 N ALA A 90 -14.950 3.958 -5.730 1.00 0.37 N ATOM 1427 CA ALA A 90 -13.861 4.889 -5.464 1.00 0.35 C ATOM 1428 C ALA A 90 -13.212 4.588 -4.120 1.00 0.34 C ATOM 1429 O ALA A 90 -11.988 4.588 -4.000 1.00 0.32 O ATOM 1430 CB ALA A 90 -14.369 6.321 -5.500 1.00 0.42 C ATOM 0 H ALA A 90 -15.873 4.390 -5.776 1.00 0.37 H new ATOM 0 HA ALA A 90 -13.107 4.768 -6.242 1.00 0.35 H new ATOM 0 HB1 ALA A 90 -13.544 7.005 -5.300 1.00 0.42 H new ATOM 0 HB2 ALA A 90 -14.786 6.534 -6.484 1.00 0.42 H new ATOM 0 HB3 ALA A 90 -15.141 6.452 -4.742 1.00 0.42 H new ATOM 1436 N SER A 91 -14.040 4.332 -3.112 1.00 0.38 N ATOM 1437 CA SER A 91 -13.542 4.017 -1.779 1.00 0.39 C ATOM 1438 C SER A 91 -12.722 2.733 -1.810 1.00 0.36 C ATOM 1439 O SER A 91 -11.607 2.679 -1.285 1.00 0.36 O ATOM 1440 CB SER A 91 -14.704 3.871 -0.795 1.00 0.45 C ATOM 1441 OG SER A 91 -15.425 5.086 -0.671 1.00 1.35 O ATOM 0 H SER A 91 -15.057 4.337 -3.193 1.00 0.38 H new ATOM 0 HA SER A 91 -12.903 4.836 -1.448 1.00 0.39 H new ATOM 0 HB2 SER A 91 -15.374 3.080 -1.133 1.00 0.45 H new ATOM 0 HB3 SER A 91 -14.323 3.570 0.181 1.00 0.45 H new ATOM 0 HG SER A 91 -16.163 4.965 -0.038 1.00 1.35 H new ATOM 1447 N SER A 92 -13.281 1.700 -2.435 1.00 0.34 N ATOM 1448 CA SER A 92 -12.601 0.416 -2.541 1.00 0.33 C ATOM 1449 C SER A 92 -11.307 0.565 -3.332 1.00 0.29 C ATOM 1450 O SER A 92 -10.272 0.008 -2.960 1.00 0.29 O ATOM 1451 CB SER A 92 -13.510 -0.616 -3.208 1.00 0.35 C ATOM 1452 OG SER A 92 -14.692 -0.820 -2.453 1.00 1.41 O ATOM 0 H SER A 92 -14.201 1.729 -2.874 1.00 0.34 H new ATOM 0 HA SER A 92 -12.359 0.070 -1.536 1.00 0.33 H new ATOM 0 HB2 SER A 92 -13.770 -0.281 -4.212 1.00 0.35 H new ATOM 0 HB3 SER A 92 -12.976 -1.560 -3.315 1.00 0.35 H new ATOM 0 HG SER A 92 -15.300 -0.062 -2.585 1.00 1.41 H new ATOM 1458 N LEU A 93 -11.369 1.325 -4.422 1.00 0.27 N ATOM 1459 CA LEU A 93 -10.198 1.548 -5.258 1.00 0.24 C ATOM 1460 C LEU A 93 -9.212 2.463 -4.553 1.00 0.26 C ATOM 1461 O LEU A 93 -8.030 2.489 -4.887 1.00 0.27 O ATOM 1462 CB LEU A 93 -10.603 2.126 -6.613 1.00 0.21 C ATOM 1463 CG LEU A 93 -10.810 1.086 -7.719 1.00 0.23 C ATOM 1464 CD1 LEU A 93 -9.471 0.518 -8.168 1.00 0.23 C ATOM 1465 CD2 LEU A 93 -11.729 -0.031 -7.243 1.00 0.29 C ATOM 0 H LEU A 93 -12.215 1.794 -4.744 1.00 0.27 H new ATOM 0 HA LEU A 93 -9.711 0.589 -5.434 1.00 0.24 H new ATOM 0 HB2 LEU A 93 -11.526 2.693 -6.489 1.00 0.21 H new ATOM 0 HB3 LEU A 93 -9.837 2.831 -6.935 1.00 0.21 H new ATOM 0 HG LEU A 93 -11.283 1.578 -8.569 1.00 0.23 H new ATOM 0 HD11 LEU A 93 -9.634 -0.219 -8.954 1.00 0.23 H new ATOM 0 HD12 LEU A 93 -8.844 1.323 -8.550 1.00 0.23 H new ATOM 0 HD13 LEU A 93 -8.975 0.043 -7.322 1.00 0.23 H new ATOM 0 HD21 LEU A 93 -11.862 -0.758 -8.044 1.00 0.29 H new ATOM 0 HD22 LEU A 93 -11.286 -0.522 -6.377 1.00 0.29 H new ATOM 0 HD23 LEU A 93 -12.697 0.387 -6.967 1.00 0.29 H new ATOM 1477 N LYS A 94 -9.711 3.225 -3.588 1.00 0.29 N ATOM 1478 CA LYS A 94 -8.862 4.112 -2.811 1.00 0.33 C ATOM 1479 C LYS A 94 -7.986 3.267 -1.903 1.00 0.34 C ATOM 1480 O LYS A 94 -6.775 3.468 -1.811 1.00 0.36 O ATOM 1481 CB LYS A 94 -9.709 5.064 -1.961 1.00 0.38 C ATOM 1482 CG LYS A 94 -9.370 6.536 -2.144 1.00 0.44 C ATOM 1483 CD LYS A 94 -7.921 6.840 -1.799 1.00 0.43 C ATOM 1484 CE LYS A 94 -7.623 6.568 -0.332 1.00 0.41 C ATOM 1485 NZ LYS A 94 -6.324 7.161 0.090 1.00 0.48 N ATOM 0 H LYS A 94 -10.697 3.245 -3.327 1.00 0.29 H new ATOM 0 HA LYS A 94 -8.249 4.708 -3.487 1.00 0.33 H new ATOM 0 HB2 LYS A 94 -10.760 4.912 -2.205 1.00 0.38 H new ATOM 0 HB3 LYS A 94 -9.585 4.802 -0.910 1.00 0.38 H new ATOM 0 HG2 LYS A 94 -9.564 6.826 -3.177 1.00 0.44 H new ATOM 0 HG3 LYS A 94 -10.025 7.139 -1.515 1.00 0.44 H new ATOM 0 HD2 LYS A 94 -7.264 6.234 -2.422 1.00 0.43 H new ATOM 0 HD3 LYS A 94 -7.704 7.883 -2.027 1.00 0.43 H new ATOM 0 HE2 LYS A 94 -8.425 6.976 0.283 1.00 0.41 H new ATOM 0 HE3 LYS A 94 -7.604 5.492 -0.159 1.00 0.41 H new ATOM 0 HZ1 LYS A 94 -6.009 6.714 0.975 1.00 0.48 H new ATOM 0 HZ2 LYS A 94 -5.612 7.001 -0.651 1.00 0.48 H new ATOM 0 HZ3 LYS A 94 -6.442 8.183 0.242 1.00 0.48 H new ATOM 1499 N LYS A 95 -8.627 2.308 -1.238 1.00 0.34 N ATOM 1500 CA LYS A 95 -7.936 1.398 -0.337 1.00 0.37 C ATOM 1501 C LYS A 95 -7.016 0.474 -1.121 1.00 0.35 C ATOM 1502 O LYS A 95 -5.958 0.083 -0.636 1.00 0.39 O ATOM 1503 CB LYS A 95 -8.950 0.573 0.456 1.00 0.40 C ATOM 1504 CG LYS A 95 -8.355 -0.149 1.654 1.00 0.50 C ATOM 1505 CD LYS A 95 -8.411 0.717 2.902 1.00 0.96 C ATOM 1506 CE LYS A 95 -7.898 -0.031 4.124 1.00 1.08 C ATOM 1507 NZ LYS A 95 -8.651 -1.293 4.358 1.00 1.19 N ATOM 0 H LYS A 95 -9.631 2.143 -1.310 1.00 0.34 H new ATOM 0 HA LYS A 95 -7.335 1.986 0.357 1.00 0.37 H new ATOM 0 HB2 LYS A 95 -9.749 1.230 0.800 1.00 0.40 H new ATOM 0 HB3 LYS A 95 -9.406 -0.161 -0.209 1.00 0.40 H new ATOM 0 HG2 LYS A 95 -8.898 -1.078 1.828 1.00 0.50 H new ATOM 0 HG3 LYS A 95 -7.321 -0.419 1.442 1.00 0.50 H new ATOM 0 HD2 LYS A 95 -7.815 1.617 2.749 1.00 0.96 H new ATOM 0 HD3 LYS A 95 -9.437 1.040 3.076 1.00 0.96 H new ATOM 0 HE2 LYS A 95 -6.840 -0.258 3.993 1.00 1.08 H new ATOM 0 HE3 LYS A 95 -7.980 0.609 5.002 1.00 1.08 H new ATOM 0 HZ1 LYS A 95 -8.482 -1.623 5.330 1.00 1.19 H new ATOM 0 HZ2 LYS A 95 -9.668 -1.121 4.222 1.00 1.19 H new ATOM 0 HZ3 LYS A 95 -8.330 -2.019 3.686 1.00 1.19 H new ATOM 1521 N GLN A 96 -7.431 0.115 -2.329 1.00 0.30 N ATOM 1522 CA GLN A 96 -6.619 -0.746 -3.176 1.00 0.30 C ATOM 1523 C GLN A 96 -5.422 0.032 -3.707 1.00 0.31 C ATOM 1524 O GLN A 96 -4.295 -0.463 -3.710 1.00 0.35 O ATOM 1525 CB GLN A 96 -7.447 -1.301 -4.331 1.00 0.29 C ATOM 1526 CG GLN A 96 -8.452 -2.354 -3.897 1.00 0.33 C ATOM 1527 CD GLN A 96 -7.797 -3.542 -3.220 1.00 0.57 C ATOM 1528 OE1 GLN A 96 -6.658 -3.898 -3.528 1.00 1.01 O ATOM 1529 NE2 GLN A 96 -8.513 -4.164 -2.290 1.00 1.11 N ATOM 0 H GLN A 96 -8.318 0.404 -2.741 1.00 0.30 H new ATOM 0 HA GLN A 96 -6.261 -1.586 -2.581 1.00 0.30 H new ATOM 0 HB2 GLN A 96 -7.977 -0.481 -4.816 1.00 0.29 H new ATOM 0 HB3 GLN A 96 -6.777 -1.732 -5.075 1.00 0.29 H new ATOM 0 HG2 GLN A 96 -9.173 -1.904 -3.214 1.00 0.33 H new ATOM 0 HG3 GLN A 96 -9.010 -2.699 -4.768 1.00 0.33 H new ATOM 0 HE21 GLN A 96 -9.452 -3.836 -2.066 1.00 1.11 H new ATOM 0 HE22 GLN A 96 -8.123 -4.969 -1.800 1.00 1.11 H new ATOM 1538 N TYR A 97 -5.676 1.267 -4.128 1.00 0.30 N ATOM 1539 CA TYR A 97 -4.627 2.126 -4.656 1.00 0.32 C ATOM 1540 C TYR A 97 -3.568 2.373 -3.598 1.00 0.36 C ATOM 1541 O TYR A 97 -2.374 2.350 -3.893 1.00 0.41 O ATOM 1542 CB TYR A 97 -5.222 3.453 -5.130 1.00 0.33 C ATOM 1543 CG TYR A 97 -4.242 4.607 -5.132 1.00 0.32 C ATOM 1544 CD1 TYR A 97 -3.365 4.794 -6.193 1.00 0.37 C ATOM 1545 CD2 TYR A 97 -4.194 5.506 -4.075 1.00 0.33 C ATOM 1546 CE1 TYR A 97 -2.469 5.845 -6.201 1.00 0.38 C ATOM 1547 CE2 TYR A 97 -3.301 6.559 -4.075 1.00 0.36 C ATOM 1548 CZ TYR A 97 -2.440 6.725 -5.129 1.00 0.36 C ATOM 1549 OH TYR A 97 -1.552 7.775 -5.142 1.00 0.41 O ATOM 0 H TYR A 97 -6.602 1.694 -4.113 1.00 0.30 H new ATOM 0 HA TYR A 97 -4.160 1.628 -5.506 1.00 0.32 H new ATOM 0 HB2 TYR A 97 -5.615 3.323 -6.138 1.00 0.33 H new ATOM 0 HB3 TYR A 97 -6.066 3.709 -4.490 1.00 0.33 H new ATOM 0 HD1 TYR A 97 -3.384 4.106 -7.025 1.00 0.37 H new ATOM 0 HD2 TYR A 97 -4.866 5.380 -3.239 1.00 0.33 H new ATOM 0 HE1 TYR A 97 -1.796 5.981 -7.035 1.00 0.38 H new ATOM 0 HE2 TYR A 97 -3.281 7.251 -3.246 1.00 0.36 H new ATOM 0 HH TYR A 97 -1.655 8.301 -4.322 1.00 0.41 H new ATOM 1559 N ILE A 98 -4.002 2.618 -2.368 1.00 0.37 N ATOM 1560 CA ILE A 98 -3.060 2.846 -1.290 1.00 0.42 C ATOM 1561 C ILE A 98 -2.349 1.539 -0.953 1.00 0.41 C ATOM 1562 O ILE A 98 -1.127 1.486 -0.911 1.00 0.41 O ATOM 1563 CB ILE A 98 -3.739 3.441 -0.035 1.00 0.44 C ATOM 1564 CG1 ILE A 98 -4.856 2.532 0.473 1.00 0.41 C ATOM 1565 CG2 ILE A 98 -4.276 4.831 -0.346 1.00 0.47 C ATOM 1566 CD1 ILE A 98 -5.559 3.064 1.706 1.00 0.44 C ATOM 0 H ILE A 98 -4.985 2.663 -2.099 1.00 0.37 H new ATOM 0 HA ILE A 98 -2.331 3.582 -1.628 1.00 0.42 H new ATOM 0 HB ILE A 98 -2.993 3.518 0.756 1.00 0.44 H new ATOM 0 HG12 ILE A 98 -5.589 2.393 -0.321 1.00 0.41 H new ATOM 0 HG13 ILE A 98 -4.440 1.550 0.698 1.00 0.41 H new ATOM 0 HG21 ILE A 98 -4.753 5.244 0.543 1.00 0.47 H new ATOM 0 HG22 ILE A 98 -3.454 5.479 -0.651 1.00 0.47 H new ATOM 0 HG23 ILE A 98 -5.006 4.767 -1.153 1.00 0.47 H new ATOM 0 HD11 ILE A 98 -6.340 2.366 2.009 1.00 0.44 H new ATOM 0 HD12 ILE A 98 -4.838 3.176 2.516 1.00 0.44 H new ATOM 0 HD13 ILE A 98 -6.006 4.032 1.481 1.00 0.44 H new ATOM 1578 N GLN A 99 -3.120 0.471 -0.758 1.00 0.44 N ATOM 1579 CA GLN A 99 -2.543 -0.836 -0.449 1.00 0.45 C ATOM 1580 C GLN A 99 -1.605 -1.281 -1.561 1.00 0.47 C ATOM 1581 O GLN A 99 -0.758 -2.152 -1.361 1.00 0.52 O ATOM 1582 CB GLN A 99 -3.647 -1.886 -0.264 1.00 0.42 C ATOM 1583 CG GLN A 99 -4.373 -1.778 1.068 1.00 0.43 C ATOM 1584 CD GLN A 99 -5.449 -2.834 1.234 1.00 1.26 C ATOM 1585 OE1 GLN A 99 -6.050 -3.283 0.259 1.00 2.14 O ATOM 1586 NE2 GLN A 99 -5.698 -3.236 2.475 1.00 1.84 N ATOM 0 H GLN A 99 -4.139 0.484 -0.808 1.00 0.44 H new ATOM 0 HA GLN A 99 -1.981 -0.743 0.480 1.00 0.45 H new ATOM 0 HB2 GLN A 99 -4.371 -1.786 -1.072 1.00 0.42 H new ATOM 0 HB3 GLN A 99 -3.209 -2.880 -0.350 1.00 0.42 H new ATOM 0 HG2 GLN A 99 -3.651 -1.870 1.879 1.00 0.43 H new ATOM 0 HG3 GLN A 99 -4.824 -0.789 1.153 1.00 0.43 H new ATOM 0 HE21 GLN A 99 -5.176 -2.837 3.255 1.00 1.84 H new ATOM 0 HE22 GLN A 99 -6.412 -3.944 2.648 1.00 1.84 H new ATOM 1595 N CYS A 100 -1.761 -0.674 -2.734 1.00 0.45 N ATOM 1596 CA CYS A 100 -0.947 -1.021 -3.890 1.00 0.49 C ATOM 1597 C CYS A 100 0.276 -0.116 -4.059 1.00 0.60 C ATOM 1598 O CYS A 100 1.351 -0.588 -4.434 1.00 0.72 O ATOM 1599 CB CYS A 100 -1.802 -0.946 -5.151 1.00 0.43 C ATOM 1600 SG CYS A 100 -1.107 -1.815 -6.575 1.00 0.55 S ATOM 0 H CYS A 100 -2.446 0.062 -2.907 1.00 0.45 H new ATOM 0 HA CYS A 100 -0.578 -2.033 -3.725 1.00 0.49 H new ATOM 0 HB2 CYS A 100 -2.787 -1.360 -4.933 1.00 0.43 H new ATOM 0 HB3 CYS A 100 -1.948 0.101 -5.415 1.00 0.43 H new ATOM 0 HG CYS A 100 -0.231 -2.684 -6.167 1.00 0.55 H new ATOM 1606 N LEU A 101 0.121 1.180 -3.784 1.00 0.63 N ATOM 1607 CA LEU A 101 1.221 2.132 -3.975 1.00 0.81 C ATOM 1608 C LEU A 101 1.622 2.869 -2.696 1.00 0.75 C ATOM 1609 O LEU A 101 2.288 3.901 -2.769 1.00 0.85 O ATOM 1610 CB LEU A 101 0.832 3.168 -5.037 1.00 1.26 C ATOM 1611 CG LEU A 101 0.855 2.683 -6.491 1.00 0.67 C ATOM 1612 CD1 LEU A 101 2.243 2.188 -6.873 1.00 1.58 C ATOM 1613 CD2 LEU A 101 -0.182 1.594 -6.717 1.00 1.42 C ATOM 0 H LEU A 101 -0.743 1.593 -3.433 1.00 0.63 H new ATOM 0 HA LEU A 101 2.081 1.542 -4.293 1.00 0.81 H new ATOM 0 HB2 LEU A 101 -0.171 3.530 -4.812 1.00 1.26 H new ATOM 0 HB3 LEU A 101 1.506 4.020 -4.949 1.00 1.26 H new ATOM 0 HG LEU A 101 0.604 3.529 -7.131 1.00 0.67 H new ATOM 0 HD11 LEU A 101 2.236 1.849 -7.909 1.00 1.58 H new ATOM 0 HD12 LEU A 101 2.962 3.000 -6.762 1.00 1.58 H new ATOM 0 HD13 LEU A 101 2.526 1.361 -6.222 1.00 1.58 H new ATOM 0 HD21 LEU A 101 -0.146 1.267 -7.756 1.00 1.42 H new ATOM 0 HD22 LEU A 101 0.030 0.748 -6.063 1.00 1.42 H new ATOM 0 HD23 LEU A 101 -1.175 1.985 -6.494 1.00 1.42 H new ATOM 1625 N TYR A 102 1.237 2.361 -1.533 1.00 0.74 N ATOM 1626 CA TYR A 102 1.594 3.028 -0.283 1.00 0.90 C ATOM 1627 C TYR A 102 3.092 2.938 -0.040 1.00 0.96 C ATOM 1628 O TYR A 102 3.762 3.955 0.140 1.00 1.13 O ATOM 1629 CB TYR A 102 0.823 2.436 0.900 1.00 0.98 C ATOM 1630 CG TYR A 102 0.854 3.291 2.144 1.00 1.21 C ATOM 1631 CD1 TYR A 102 2.007 3.384 2.914 1.00 1.75 C ATOM 1632 CD2 TYR A 102 -0.265 4.010 2.551 1.00 0.96 C ATOM 1633 CE1 TYR A 102 2.045 4.166 4.054 1.00 1.99 C ATOM 1634 CE2 TYR A 102 -0.234 4.793 3.689 1.00 1.21 C ATOM 1635 CZ TYR A 102 0.901 4.868 4.437 1.00 1.70 C ATOM 1636 OH TYR A 102 0.955 5.647 5.569 1.00 1.96 O ATOM 0 H TYR A 102 0.689 1.507 -1.426 1.00 0.74 H new ATOM 0 HA TYR A 102 1.318 4.079 -0.373 1.00 0.90 H new ATOM 0 HB2 TYR A 102 -0.215 2.282 0.603 1.00 0.98 H new ATOM 0 HB3 TYR A 102 1.236 1.455 1.135 1.00 0.98 H new ATOM 0 HD1 TYR A 102 2.889 2.836 2.617 1.00 1.75 H new ATOM 0 HD2 TYR A 102 -1.173 3.955 1.968 1.00 0.96 H new ATOM 0 HE1 TYR A 102 2.949 4.233 4.641 1.00 1.99 H new ATOM 0 HE2 TYR A 102 -1.112 5.347 3.986 1.00 1.21 H new ATOM 0 HH TYR A 102 0.086 6.077 5.712 1.00 1.96 H new ATOM 1646 N ALA A 103 3.618 1.720 -0.034 1.00 0.96 N ATOM 1647 CA ALA A 103 5.045 1.522 0.159 1.00 1.15 C ATOM 1648 C ALA A 103 5.775 1.881 -1.119 1.00 1.04 C ATOM 1649 O ALA A 103 6.907 2.368 -1.092 1.00 1.16 O ATOM 1650 CB ALA A 103 5.353 0.090 0.559 1.00 1.39 C ATOM 0 H ALA A 103 3.081 0.862 -0.160 1.00 0.96 H new ATOM 0 HA ALA A 103 5.382 2.169 0.969 1.00 1.15 H new ATOM 0 HB1 ALA A 103 6.428 -0.026 0.696 1.00 1.39 H new ATOM 0 HB2 ALA A 103 4.841 -0.145 1.492 1.00 1.39 H new ATOM 0 HB3 ALA A 103 5.011 -0.588 -0.223 1.00 1.39 H new ATOM 1656 N PHE A 104 5.111 1.637 -2.244 1.00 0.87 N ATOM 1657 CA PHE A 104 5.688 1.947 -3.535 1.00 0.87 C ATOM 1658 C PHE A 104 5.900 3.440 -3.668 1.00 0.85 C ATOM 1659 O PHE A 104 6.827 3.871 -4.334 1.00 0.93 O ATOM 1660 CB PHE A 104 4.814 1.442 -4.681 1.00 0.96 C ATOM 1661 CG PHE A 104 5.488 0.392 -5.513 1.00 1.89 C ATOM 1662 CD1 PHE A 104 5.932 -0.788 -4.939 1.00 2.80 C ATOM 1663 CD2 PHE A 104 5.688 0.594 -6.866 1.00 2.36 C ATOM 1664 CE1 PHE A 104 6.564 -1.748 -5.704 1.00 4.03 C ATOM 1665 CE2 PHE A 104 6.318 -0.362 -7.636 1.00 3.48 C ATOM 1666 CZ PHE A 104 6.756 -1.533 -7.055 1.00 4.31 C ATOM 0 H PHE A 104 4.178 1.227 -2.282 1.00 0.87 H new ATOM 0 HA PHE A 104 6.649 1.436 -3.597 1.00 0.87 H new ATOM 0 HB2 PHE A 104 3.888 1.036 -4.273 1.00 0.96 H new ATOM 0 HB3 PHE A 104 4.539 2.282 -5.319 1.00 0.96 H new ATOM 0 HD1 PHE A 104 5.782 -0.959 -3.883 1.00 2.80 H new ATOM 0 HD2 PHE A 104 5.347 1.510 -7.325 1.00 2.36 H new ATOM 0 HE1 PHE A 104 6.907 -2.665 -5.247 1.00 4.03 H new ATOM 0 HE2 PHE A 104 6.468 -0.193 -8.692 1.00 3.48 H new ATOM 0 HZ PHE A 104 7.249 -2.282 -7.656 1.00 4.31 H new ATOM 1676 N GLU A 105 5.048 4.239 -3.030 1.00 0.90 N ATOM 1677 CA GLU A 105 5.205 5.683 -3.108 1.00 1.14 C ATOM 1678 C GLU A 105 6.604 6.057 -2.649 1.00 1.25 C ATOM 1679 O GLU A 105 7.267 6.895 -3.256 1.00 1.40 O ATOM 1680 CB GLU A 105 4.152 6.391 -2.256 1.00 1.31 C ATOM 1681 CG GLU A 105 3.500 7.569 -2.960 1.00 1.56 C ATOM 1682 CD GLU A 105 2.748 7.153 -4.210 1.00 2.56 C ATOM 1683 OE1 GLU A 105 1.546 6.831 -4.100 1.00 3.26 O ATOM 1684 OE2 GLU A 105 3.360 7.155 -5.299 1.00 2.95 O ATOM 0 H GLU A 105 4.261 3.918 -2.467 1.00 0.90 H new ATOM 0 HA GLU A 105 5.065 6.003 -4.140 1.00 1.14 H new ATOM 0 HB2 GLU A 105 3.381 5.674 -1.974 1.00 1.31 H new ATOM 0 HB3 GLU A 105 4.616 6.740 -1.333 1.00 1.31 H new ATOM 0 HG2 GLU A 105 2.813 8.064 -2.274 1.00 1.56 H new ATOM 0 HG3 GLU A 105 4.265 8.299 -3.226 1.00 1.56 H new ATOM 1691 N CYS A 106 7.042 5.419 -1.571 1.00 1.26 N ATOM 1692 CA CYS A 106 8.376 5.641 -1.031 1.00 1.44 C ATOM 1693 C CYS A 106 9.410 4.968 -1.912 1.00 1.36 C ATOM 1694 O CYS A 106 10.509 5.476 -2.090 1.00 1.50 O ATOM 1695 CB CYS A 106 8.469 5.089 0.392 1.00 1.58 C ATOM 1696 SG CYS A 106 9.769 5.845 1.396 1.00 1.89 S ATOM 0 H CYS A 106 6.488 4.739 -1.051 1.00 1.26 H new ATOM 0 HA CYS A 106 8.570 6.713 -1.007 1.00 1.44 H new ATOM 0 HB2 CYS A 106 7.510 5.234 0.890 1.00 1.58 H new ATOM 0 HB3 CYS A 106 8.643 4.014 0.342 1.00 1.58 H new ATOM 0 HG CYS A 106 9.766 5.313 2.582 1.00 1.89 H new ATOM 1702 N LYS A 107 9.041 3.820 -2.457 1.00 1.19 N ATOM 1703 CA LYS A 107 9.929 3.053 -3.315 1.00 1.19 C ATOM 1704 C LYS A 107 10.118 3.716 -4.680 1.00 1.18 C ATOM 1705 O LYS A 107 11.118 3.477 -5.355 1.00 1.25 O ATOM 1706 CB LYS A 107 9.373 1.647 -3.498 1.00 1.17 C ATOM 1707 CG LYS A 107 10.333 0.708 -4.197 1.00 1.31 C ATOM 1708 CD LYS A 107 9.636 -0.570 -4.624 1.00 1.24 C ATOM 1709 CE LYS A 107 10.454 -1.336 -5.648 1.00 2.00 C ATOM 1710 NZ LYS A 107 11.768 -1.773 -5.100 1.00 2.84 N ATOM 0 H LYS A 107 8.124 3.396 -2.318 1.00 1.19 H new ATOM 0 HA LYS A 107 10.905 3.009 -2.831 1.00 1.19 H new ATOM 0 HB2 LYS A 107 9.119 1.235 -2.522 1.00 1.17 H new ATOM 0 HB3 LYS A 107 8.448 1.702 -4.071 1.00 1.17 H new ATOM 0 HG2 LYS A 107 10.759 1.202 -5.070 1.00 1.31 H new ATOM 0 HG3 LYS A 107 11.162 0.468 -3.531 1.00 1.31 H new ATOM 0 HD2 LYS A 107 9.462 -1.200 -3.751 1.00 1.24 H new ATOM 0 HD3 LYS A 107 8.659 -0.330 -5.043 1.00 1.24 H new ATOM 0 HE2 LYS A 107 9.892 -2.209 -5.981 1.00 2.00 H new ATOM 0 HE3 LYS A 107 10.617 -0.708 -6.524 1.00 2.00 H new ATOM 0 HZ1 LYS A 107 12.250 -2.378 -5.795 1.00 2.84 H new ATOM 0 HZ2 LYS A 107 12.356 -0.939 -4.900 1.00 2.84 H new ATOM 0 HZ3 LYS A 107 11.617 -2.309 -4.221 1.00 2.84 H new ATOM 1724 N ILE A 108 9.154 4.537 -5.088 1.00 1.14 N ATOM 1725 CA ILE A 108 9.226 5.212 -6.380 1.00 1.20 C ATOM 1726 C ILE A 108 9.919 6.575 -6.274 1.00 1.36 C ATOM 1727 O ILE A 108 10.600 7.005 -7.206 1.00 1.39 O ATOM 1728 CB ILE A 108 7.823 5.403 -7.000 1.00 1.14 C ATOM 1729 CG1 ILE A 108 7.109 4.054 -7.190 1.00 1.21 C ATOM 1730 CG2 ILE A 108 7.925 6.136 -8.326 1.00 1.42 C ATOM 1731 CD1 ILE A 108 7.734 3.148 -8.232 1.00 1.07 C ATOM 0 H ILE A 108 8.317 4.750 -4.545 1.00 1.14 H new ATOM 0 HA ILE A 108 9.818 4.567 -7.029 1.00 1.20 H new ATOM 0 HB ILE A 108 7.231 6.004 -6.309 1.00 1.14 H new ATOM 0 HG12 ILE A 108 7.093 3.529 -6.235 1.00 1.21 H new ATOM 0 HG13 ILE A 108 6.072 4.243 -7.468 1.00 1.21 H new ATOM 0 HG21 ILE A 108 6.929 6.262 -8.749 1.00 1.42 H new ATOM 0 HG22 ILE A 108 8.379 7.114 -8.167 1.00 1.42 H new ATOM 0 HG23 ILE A 108 8.541 5.558 -9.015 1.00 1.42 H new ATOM 0 HD11 ILE A 108 7.164 2.221 -8.297 1.00 1.07 H new ATOM 0 HD12 ILE A 108 7.726 3.648 -9.201 1.00 1.07 H new ATOM 0 HD13 ILE A 108 8.762 2.923 -7.949 1.00 1.07 H new