USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 762 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 24 HIS :FLIP no HD1:sc= 0.0534 F(o=-1.8,f=-0.53) USER MOD Set 1.2: B 46 MET CE :methyl 140:sc= -0.583 (180deg=-2.09) USER MOD Set 2.1: A 46 MET CE :methyl 156:sc= -1.59 (180deg=-4.28!) USER MOD Set 2.2: B 24 HIS :FLIP no HD1:sc= -0.0806 F(o=-2.6,f=-1.7) USER MOD Set 3.1: A 7 LYS NZ :NH3+ 180:sc= 2.23 (180deg=1.06) USER MOD Set 3.2: A 43 ASN : amide:sc= 0.981 K(o=3.2,f=-10!) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 9 LYS NZ :NH3+ 164:sc= -0.0412 (180deg=-0.289) USER MOD Single : A 12 ASN : amide:sc= -0.0163 X(o=-0.016,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -129:sc= -0.0455 (180deg=-0.704) USER MOD Single : A 14 LYS NZ :NH3+ 172:sc= 1.36 (180deg=1.15) USER MOD Single : A 15 LYS NZ :NH3+ -161:sc= -0.715 (180deg=-1.49) USER MOD Single : A 19 GLN :FLIP amide:sc= -0.357 F(o=-1.7!,f=-0.36) USER MOD Single : A 28 HIS : no HD1:sc=-0.00442 X(o=-0.0044,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 160:sc= 1.24 (180deg=0.867) USER MOD Single : A 35 SER OG : rot -66:sc= 1.28 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0201) USER MOD Single : B 7 LYS NZ :NH3+ -178:sc= 1.18 (180deg=1.11) USER MOD Single : B 8 ASN : amide:sc= -0.0765 X(o=-0.076,f=0) USER MOD Single : B 9 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.011) USER MOD Single : B 12 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : B 13 LYS NZ :NH3+ -143:sc= 0.975 (180deg=-1.19!) USER MOD Single : B 14 LYS NZ :NH3+ -167:sc= 1.92 (180deg=1.9) USER MOD Single : B 15 LYS NZ :NH3+ -158:sc= -0.648 (180deg=-1.63!) USER MOD Single : B 19 GLN : amide:sc= -0.0937 K(o=-0.094,f=-0.76) USER MOD Single : B 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 SER OG : rot -80:sc= 0.852 USER MOD Single : B 40 LYS NZ :NH3+ 154:sc= 0.814 (180deg=0.395) USER MOD Single : B 43 ASN : amide:sc= 0.348 K(o=0.35,f=-0.43) USER MOD Single : B 44 LYS NZ :NH3+ -167:sc= -0.0348 (180deg=-0.204) USER MOD ----------------------------------------------------------------- ATOM 59 N GLN A 5 15.420 -13.693 3.663 1.00 0.00 N ATOM 60 CA GLN A 5 16.374 -12.614 3.450 1.00 0.00 C ATOM 61 C GLN A 5 15.865 -11.667 2.388 1.00 0.00 C ATOM 62 O GLN A 5 16.253 -10.497 2.338 1.00 0.00 O ATOM 63 CB GLN A 5 17.730 -13.158 3.070 1.00 0.00 C ATOM 64 CG GLN A 5 18.297 -14.099 4.101 1.00 0.00 C ATOM 65 CD GLN A 5 19.692 -14.514 3.777 1.00 0.00 C ATOM 66 OE1 GLN A 5 19.911 -15.496 3.080 1.00 0.00 O ATOM 67 NE2 GLN A 5 20.646 -13.784 4.286 1.00 0.00 N ATOM 0 HA GLN A 5 16.483 -12.065 4.385 1.00 0.00 H new ATOM 0 HB2 GLN A 5 17.652 -13.678 2.115 1.00 0.00 H new ATOM 0 HB3 GLN A 5 18.421 -12.328 2.925 1.00 0.00 H new ATOM 0 HG2 GLN A 5 18.281 -13.617 5.079 1.00 0.00 H new ATOM 0 HG3 GLN A 5 17.664 -14.983 4.171 1.00 0.00 H new ATOM 0 HE21 GLN A 5 20.416 -12.974 4.861 1.00 0.00 H new ATOM 0 HE22 GLN A 5 21.621 -14.024 4.108 1.00 0.00 H new ATOM 76 N LEU A 6 15.027 -12.187 1.524 1.00 0.00 N ATOM 77 CA LEU A 6 14.336 -11.382 0.542 1.00 0.00 C ATOM 78 C LEU A 6 13.333 -10.509 1.300 1.00 0.00 C ATOM 79 O LEU A 6 13.188 -9.314 1.031 1.00 0.00 O ATOM 80 CB LEU A 6 13.676 -12.322 -0.517 1.00 0.00 C ATOM 81 CG LEU A 6 12.809 -11.715 -1.652 1.00 0.00 C ATOM 82 CD1 LEU A 6 11.431 -11.329 -1.156 1.00 0.00 C ATOM 83 CD2 LEU A 6 13.500 -10.515 -2.292 1.00 0.00 C ATOM 0 H LEU A 6 14.804 -13.181 1.481 1.00 0.00 H new ATOM 0 HA LEU A 6 15.006 -10.725 -0.013 1.00 0.00 H new ATOM 0 HB2 LEU A 6 14.476 -12.893 -0.989 1.00 0.00 H new ATOM 0 HB3 LEU A 6 13.052 -13.034 0.024 1.00 0.00 H new ATOM 0 HG LEU A 6 12.688 -12.488 -2.411 1.00 0.00 H new ATOM 0 HD11 LEU A 6 10.853 -10.908 -1.979 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.922 -12.213 -0.770 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.524 -10.588 -0.362 1.00 0.00 H new ATOM 0 HD21 LEU A 6 12.869 -10.111 -3.084 1.00 0.00 H new ATOM 0 HD22 LEU A 6 13.670 -9.748 -1.537 1.00 0.00 H new ATOM 0 HD23 LEU A 6 14.455 -10.827 -2.714 1.00 0.00 H new ATOM 95 N LYS A 7 12.687 -11.122 2.279 1.00 0.00 N ATOM 96 CA LYS A 7 11.791 -10.445 3.185 1.00 0.00 C ATOM 97 C LYS A 7 12.489 -9.351 3.922 1.00 0.00 C ATOM 98 O LYS A 7 11.922 -8.314 4.135 1.00 0.00 O ATOM 99 CB LYS A 7 11.175 -11.425 4.175 1.00 0.00 C ATOM 100 CG LYS A 7 9.791 -11.847 3.796 1.00 0.00 C ATOM 101 CD LYS A 7 8.808 -10.684 3.972 1.00 0.00 C ATOM 102 CE LYS A 7 8.401 -10.488 5.418 1.00 0.00 C ATOM 103 NZ LYS A 7 7.386 -9.418 5.569 1.00 0.00 N ATOM 0 H LYS A 7 12.776 -12.121 2.464 1.00 0.00 H new ATOM 0 HA LYS A 7 10.995 -10.004 2.585 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.811 -12.307 4.248 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.151 -10.967 5.164 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.779 -12.188 2.761 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.480 -12.690 4.413 1.00 0.00 H new ATOM 0 HD2 LYS A 7 9.263 -9.767 3.598 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.919 -10.868 3.369 1.00 0.00 H new ATOM 0 HE2 LYS A 7 8.004 -11.423 5.813 1.00 0.00 H new ATOM 0 HE3 LYS A 7 9.281 -10.240 6.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 7.135 -9.316 6.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.774 -8.520 5.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 6.536 -9.666 5.024 1.00 0.00 H new ATOM 117 N ASN A 8 13.722 -9.597 4.291 1.00 0.00 N ATOM 118 CA ASN A 8 14.533 -8.614 5.001 1.00 0.00 C ATOM 119 C ASN A 8 14.686 -7.333 4.152 1.00 0.00 C ATOM 120 O ASN A 8 14.576 -6.210 4.664 1.00 0.00 O ATOM 121 CB ASN A 8 15.906 -9.218 5.350 1.00 0.00 C ATOM 122 CG ASN A 8 16.833 -8.277 6.109 1.00 0.00 C ATOM 123 OD1 ASN A 8 16.398 -7.445 6.906 1.00 0.00 O ATOM 124 ND2 ASN A 8 18.111 -8.413 5.873 1.00 0.00 N ATOM 0 H ASN A 8 14.200 -10.480 4.112 1.00 0.00 H new ATOM 0 HA ASN A 8 14.034 -8.342 5.931 1.00 0.00 H new ATOM 0 HB2 ASN A 8 15.753 -10.117 5.947 1.00 0.00 H new ATOM 0 HB3 ASN A 8 16.398 -9.528 4.428 1.00 0.00 H new ATOM 0 HD21 ASN A 8 18.785 -7.819 6.356 1.00 0.00 H new ATOM 0 HD22 ASN A 8 18.435 -9.113 5.206 1.00 0.00 H new ATOM 131 N LYS A 9 14.896 -7.520 2.843 1.00 0.00 N ATOM 132 CA LYS A 9 14.985 -6.400 1.908 1.00 0.00 C ATOM 133 C LYS A 9 13.644 -5.689 1.846 1.00 0.00 C ATOM 134 O LYS A 9 13.578 -4.458 1.923 1.00 0.00 O ATOM 135 CB LYS A 9 15.348 -6.875 0.492 1.00 0.00 C ATOM 136 CG LYS A 9 16.702 -7.558 0.340 1.00 0.00 C ATOM 137 CD LYS A 9 17.850 -6.631 0.692 1.00 0.00 C ATOM 138 CE LYS A 9 19.202 -7.262 0.378 1.00 0.00 C ATOM 139 NZ LYS A 9 19.390 -7.508 -1.074 1.00 0.00 N ATOM 0 H LYS A 9 15.007 -8.437 2.411 1.00 0.00 H new ATOM 0 HA LYS A 9 15.767 -5.729 2.264 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.576 -7.565 0.153 1.00 0.00 H new ATOM 0 HB3 LYS A 9 15.321 -6.014 -0.176 1.00 0.00 H new ATOM 0 HG2 LYS A 9 16.738 -8.439 0.981 1.00 0.00 H new ATOM 0 HG3 LYS A 9 16.819 -7.906 -0.686 1.00 0.00 H new ATOM 0 HD2 LYS A 9 17.747 -5.698 0.138 1.00 0.00 H new ATOM 0 HD3 LYS A 9 17.803 -6.380 1.752 1.00 0.00 H new ATOM 0 HE2 LYS A 9 19.997 -6.609 0.739 1.00 0.00 H new ATOM 0 HE3 LYS A 9 19.294 -8.204 0.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 20.397 -7.677 -1.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 18.837 -8.341 -1.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 19.067 -6.678 -1.611 1.00 0.00 H new ATOM 153 N ILE A 10 12.583 -6.482 1.707 1.00 0.00 N ATOM 154 CA ILE A 10 11.220 -5.977 1.653 1.00 0.00 C ATOM 155 C ILE A 10 10.880 -5.175 2.886 1.00 0.00 C ATOM 156 O ILE A 10 10.409 -4.063 2.764 1.00 0.00 O ATOM 157 CB ILE A 10 10.180 -7.116 1.441 1.00 0.00 C ATOM 158 CG1 ILE A 10 10.313 -7.677 0.029 1.00 0.00 C ATOM 159 CG2 ILE A 10 8.743 -6.650 1.720 1.00 0.00 C ATOM 160 CD1 ILE A 10 9.307 -8.747 -0.308 1.00 0.00 C ATOM 0 H ILE A 10 12.649 -7.497 1.629 1.00 0.00 H new ATOM 0 HA ILE A 10 11.167 -5.317 0.787 1.00 0.00 H new ATOM 0 HB ILE A 10 10.393 -7.906 2.161 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.211 -6.860 -0.685 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.316 -8.085 -0.095 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.054 -7.479 1.559 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.665 -6.309 2.752 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.489 -5.831 1.047 1.00 0.00 H new ATOM 0 HD11 ILE A 10 9.471 -9.092 -1.329 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.422 -9.584 0.380 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.300 -8.340 -0.220 1.00 0.00 H new ATOM 172 N GLU A 11 11.149 -5.739 4.056 1.00 0.00 N ATOM 173 CA GLU A 11 10.879 -5.080 5.325 1.00 0.00 C ATOM 174 C GLU A 11 11.534 -3.723 5.380 1.00 0.00 C ATOM 175 O GLU A 11 10.868 -2.731 5.634 1.00 0.00 O ATOM 176 CB GLU A 11 11.323 -5.933 6.518 1.00 0.00 C ATOM 177 CG GLU A 11 10.539 -7.219 6.683 1.00 0.00 C ATOM 178 CD GLU A 11 9.067 -6.970 6.872 1.00 0.00 C ATOM 179 OE1 GLU A 11 8.616 -6.829 8.019 1.00 0.00 O ATOM 180 OE2 GLU A 11 8.311 -6.926 5.875 1.00 0.00 O ATOM 0 H GLU A 11 11.561 -6.667 4.151 1.00 0.00 H new ATOM 0 HA GLU A 11 9.799 -4.950 5.393 1.00 0.00 H new ATOM 0 HB2 GLU A 11 12.380 -6.176 6.404 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.228 -5.342 7.429 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.689 -7.849 5.806 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.925 -7.770 7.541 1.00 0.00 H new ATOM 187 N ASN A 12 12.821 -3.677 5.085 1.00 0.00 N ATOM 188 CA ASN A 12 13.551 -2.416 5.096 1.00 0.00 C ATOM 189 C ASN A 12 12.987 -1.434 4.075 1.00 0.00 C ATOM 190 O ASN A 12 12.702 -0.294 4.414 1.00 0.00 O ATOM 191 CB ASN A 12 15.064 -2.625 4.883 1.00 0.00 C ATOM 192 CG ASN A 12 15.831 -1.304 4.732 1.00 0.00 C ATOM 193 OD1 ASN A 12 16.244 -0.681 5.721 1.00 0.00 O ATOM 194 ND2 ASN A 12 16.060 -0.896 3.504 1.00 0.00 N ATOM 0 H ASN A 12 13.382 -4.492 4.836 1.00 0.00 H new ATOM 0 HA ASN A 12 13.417 -1.982 6.087 1.00 0.00 H new ATOM 0 HB2 ASN A 12 15.472 -3.182 5.727 1.00 0.00 H new ATOM 0 HB3 ASN A 12 15.220 -3.235 3.993 1.00 0.00 H new ATOM 0 HD21 ASN A 12 16.593 -0.042 3.341 1.00 0.00 H new ATOM 0 HD22 ASN A 12 15.705 -1.434 2.713 1.00 0.00 H new ATOM 201 N LYS A 13 12.766 -1.906 2.848 1.00 0.00 N ATOM 202 CA LYS A 13 12.285 -1.052 1.755 1.00 0.00 C ATOM 203 C LYS A 13 10.882 -0.504 2.085 1.00 0.00 C ATOM 204 O LYS A 13 10.584 0.671 1.845 1.00 0.00 O ATOM 205 CB LYS A 13 12.277 -1.854 0.432 1.00 0.00 C ATOM 206 CG LYS A 13 12.214 -1.009 -0.849 1.00 0.00 C ATOM 207 CD LYS A 13 13.396 -0.048 -0.948 1.00 0.00 C ATOM 208 CE LYS A 13 14.754 -0.741 -0.916 1.00 0.00 C ATOM 209 NZ LYS A 13 14.978 -1.594 -2.099 1.00 0.00 N ATOM 0 H LYS A 13 12.913 -2.880 2.582 1.00 0.00 H new ATOM 0 HA LYS A 13 12.956 -0.201 1.637 1.00 0.00 H new ATOM 0 HB2 LYS A 13 13.174 -2.472 0.396 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.423 -2.532 0.443 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.205 -1.666 -1.719 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.282 -0.444 -0.867 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.312 0.524 -1.872 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.343 0.665 -0.126 1.00 0.00 H new ATOM 0 HE2 LYS A 13 15.541 0.011 -0.859 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.828 -1.349 -0.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.276 -2.542 -1.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.096 -1.668 -2.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.720 -1.174 -2.695 1.00 0.00 H new ATOM 223 N LYS A 14 10.060 -1.370 2.660 1.00 0.00 N ATOM 224 CA LYS A 14 8.717 -1.055 3.131 1.00 0.00 C ATOM 225 C LYS A 14 8.794 0.076 4.150 1.00 0.00 C ATOM 226 O LYS A 14 8.146 1.098 4.010 1.00 0.00 O ATOM 227 CB LYS A 14 8.142 -2.315 3.812 1.00 0.00 C ATOM 228 CG LYS A 14 6.706 -2.231 4.308 1.00 0.00 C ATOM 229 CD LYS A 14 6.299 -3.522 5.044 1.00 0.00 C ATOM 230 CE LYS A 14 6.966 -3.628 6.407 1.00 0.00 C ATOM 231 NZ LYS A 14 6.762 -4.953 7.049 1.00 0.00 N ATOM 0 H LYS A 14 10.317 -2.344 2.817 1.00 0.00 H new ATOM 0 HA LYS A 14 8.083 -0.748 2.299 1.00 0.00 H new ATOM 0 HB2 LYS A 14 8.210 -3.143 3.107 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.780 -2.564 4.660 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.598 -1.377 4.977 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.036 -2.062 3.465 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.216 -3.545 5.166 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.570 -4.387 4.438 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.035 -3.443 6.298 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.573 -2.849 7.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.347 -5.017 7.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.760 -5.065 7.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.037 -5.706 6.386 1.00 0.00 H new ATOM 245 N LYS A 15 9.640 -0.114 5.143 1.00 0.00 N ATOM 246 CA LYS A 15 9.814 0.829 6.238 1.00 0.00 C ATOM 247 C LYS A 15 10.400 2.142 5.761 1.00 0.00 C ATOM 248 O LYS A 15 10.074 3.196 6.299 1.00 0.00 O ATOM 249 CB LYS A 15 10.655 0.225 7.367 1.00 0.00 C ATOM 250 CG LYS A 15 10.046 -1.041 7.981 1.00 0.00 C ATOM 251 CD LYS A 15 10.920 -1.652 9.088 1.00 0.00 C ATOM 252 CE LYS A 15 10.701 -1.022 10.476 1.00 0.00 C ATOM 253 NZ LYS A 15 10.950 0.435 10.534 1.00 0.00 N ATOM 0 H LYS A 15 10.236 -0.939 5.216 1.00 0.00 H new ATOM 0 HA LYS A 15 8.823 1.042 6.639 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.648 -0.010 6.983 1.00 0.00 H new ATOM 0 HB3 LYS A 15 10.785 0.972 8.150 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.064 -0.803 8.390 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.893 -1.782 7.196 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.717 -2.721 9.149 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.969 -1.542 8.811 1.00 0.00 H new ATOM 0 HE2 LYS A 15 9.676 -1.216 10.791 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.354 -1.518 11.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 11.098 0.723 11.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 11.797 0.665 9.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.130 0.943 10.145 1.00 0.00 H new ATOM 267 N GLU A 16 11.266 2.089 4.761 1.00 0.00 N ATOM 268 CA GLU A 16 11.801 3.301 4.164 1.00 0.00 C ATOM 269 C GLU A 16 10.682 4.107 3.536 1.00 0.00 C ATOM 270 O GLU A 16 10.608 5.328 3.700 1.00 0.00 O ATOM 271 CB GLU A 16 12.851 3.002 3.113 1.00 0.00 C ATOM 272 CG GLU A 16 14.113 2.371 3.625 1.00 0.00 C ATOM 273 CD GLU A 16 15.187 2.418 2.586 1.00 0.00 C ATOM 274 OE1 GLU A 16 15.110 1.693 1.582 1.00 0.00 O ATOM 275 OE2 GLU A 16 16.088 3.275 2.703 1.00 0.00 O ATOM 0 H GLU A 16 11.612 1.223 4.348 1.00 0.00 H new ATOM 0 HA GLU A 16 12.275 3.873 4.962 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.413 2.342 2.364 1.00 0.00 H new ATOM 0 HB3 GLU A 16 13.109 3.932 2.607 1.00 0.00 H new ATOM 0 HG2 GLU A 16 14.446 2.890 4.523 1.00 0.00 H new ATOM 0 HG3 GLU A 16 13.919 1.336 3.908 1.00 0.00 H new ATOM 282 N LEU A 17 9.794 3.408 2.853 1.00 0.00 N ATOM 283 CA LEU A 17 8.648 4.023 2.232 1.00 0.00 C ATOM 284 C LEU A 17 7.744 4.609 3.284 1.00 0.00 C ATOM 285 O LEU A 17 7.290 5.735 3.151 1.00 0.00 O ATOM 286 CB LEU A 17 7.854 3.009 1.452 1.00 0.00 C ATOM 287 CG LEU A 17 6.519 3.513 0.948 1.00 0.00 C ATOM 288 CD1 LEU A 17 6.610 4.318 -0.285 1.00 0.00 C ATOM 289 CD2 LEU A 17 5.492 2.444 0.930 1.00 0.00 C ATOM 0 H LEU A 17 9.852 2.399 2.716 1.00 0.00 H new ATOM 0 HA LEU A 17 9.012 4.802 1.562 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.448 2.677 0.601 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.685 2.136 2.082 1.00 0.00 H new ATOM 0 HG LEU A 17 6.162 4.237 1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.613 4.642 -0.582 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.236 5.191 -0.104 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.048 3.716 -1.081 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.550 2.850 0.562 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.819 1.636 0.276 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.350 2.058 1.940 1.00 0.00 H new ATOM 301 N ILE A 18 7.487 3.824 4.323 1.00 0.00 N ATOM 302 CA ILE A 18 6.628 4.236 5.422 1.00 0.00 C ATOM 303 C ILE A 18 7.121 5.549 6.003 1.00 0.00 C ATOM 304 O ILE A 18 6.342 6.455 6.210 1.00 0.00 O ATOM 305 CB ILE A 18 6.548 3.154 6.539 1.00 0.00 C ATOM 306 CG1 ILE A 18 5.949 1.866 5.976 1.00 0.00 C ATOM 307 CG2 ILE A 18 5.712 3.651 7.728 1.00 0.00 C ATOM 308 CD1 ILE A 18 6.072 0.672 6.890 1.00 0.00 C ATOM 0 H ILE A 18 7.869 2.884 4.426 1.00 0.00 H new ATOM 0 HA ILE A 18 5.623 4.368 5.021 1.00 0.00 H new ATOM 0 HB ILE A 18 7.559 2.954 6.895 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.894 2.035 5.758 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.437 1.636 5.029 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.672 2.876 8.494 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.169 4.549 8.144 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.701 3.881 7.391 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.622 -0.199 6.414 1.00 0.00 H new ATOM 0 HD12 ILE A 18 7.125 0.473 7.089 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.558 0.878 7.829 1.00 0.00 H new ATOM 320 N GLN A 19 8.428 5.647 6.203 1.00 0.00 N ATOM 321 CA GLN A 19 9.060 6.863 6.694 1.00 0.00 C ATOM 322 C GLN A 19 8.769 8.045 5.774 1.00 0.00 C ATOM 323 O GLN A 19 8.477 9.149 6.246 1.00 0.00 O ATOM 324 CB GLN A 19 10.564 6.672 6.815 1.00 0.00 C ATOM 325 CG GLN A 19 10.979 5.720 7.910 1.00 0.00 C ATOM 326 CD GLN A 19 12.457 5.431 7.882 1.00 0.00 C ATOM 327 OE1 GLN A 19 12.834 4.376 7.210 1.00 0.00 O flip ATOM 328 NE2 GLN A 19 13.253 6.132 8.491 1.00 0.00 N flip ATOM 0 H GLN A 19 9.081 4.883 6.029 1.00 0.00 H new ATOM 0 HA GLN A 19 8.644 7.076 7.679 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.950 6.305 5.864 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.029 7.641 6.996 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.712 6.143 8.878 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.426 4.786 7.807 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.924 6.949 9.005 1.00 0.00 H new ATOM 0 HE22 GLN A 19 14.246 5.900 8.484 1.00 0.00 H new ATOM 337 N LEU A 20 8.820 7.799 4.481 1.00 0.00 N ATOM 338 CA LEU A 20 8.569 8.818 3.475 1.00 0.00 C ATOM 339 C LEU A 20 7.105 9.251 3.479 1.00 0.00 C ATOM 340 O LEU A 20 6.810 10.448 3.486 1.00 0.00 O ATOM 341 CB LEU A 20 8.989 8.321 2.091 1.00 0.00 C ATOM 342 CG LEU A 20 10.479 8.008 1.923 1.00 0.00 C ATOM 343 CD1 LEU A 20 10.743 7.413 0.561 1.00 0.00 C ATOM 344 CD2 LEU A 20 11.318 9.262 2.120 1.00 0.00 C ATOM 0 H LEU A 20 9.038 6.881 4.093 1.00 0.00 H new ATOM 0 HA LEU A 20 9.171 9.692 3.723 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.419 7.421 1.860 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.709 9.074 1.354 1.00 0.00 H new ATOM 0 HG LEU A 20 10.762 7.280 2.684 1.00 0.00 H new ATOM 0 HD11 LEU A 20 11.806 7.197 0.458 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.173 6.491 0.450 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.441 8.121 -0.210 1.00 0.00 H new ATOM 0 HD21 LEU A 20 12.373 9.017 1.996 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.031 10.012 1.383 1.00 0.00 H new ATOM 0 HD23 LEU A 20 11.152 9.657 3.122 1.00 0.00 H new ATOM 356 N VAL A 21 6.192 8.285 3.489 1.00 0.00 N ATOM 357 CA VAL A 21 4.775 8.581 3.559 1.00 0.00 C ATOM 358 C VAL A 21 4.449 9.282 4.897 1.00 0.00 C ATOM 359 O VAL A 21 3.656 10.201 4.944 1.00 0.00 O ATOM 360 CB VAL A 21 3.931 7.280 3.413 1.00 0.00 C ATOM 361 CG1 VAL A 21 2.456 7.577 3.281 1.00 0.00 C ATOM 362 CG2 VAL A 21 4.394 6.470 2.226 1.00 0.00 C ATOM 0 H VAL A 21 6.414 7.290 3.449 1.00 0.00 H new ATOM 0 HA VAL A 21 4.519 9.248 2.735 1.00 0.00 H new ATOM 0 HB VAL A 21 4.081 6.701 4.324 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.904 6.642 3.181 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.111 8.109 4.168 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.287 8.194 2.399 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.790 5.566 2.144 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.286 7.062 1.317 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.441 6.196 2.358 1.00 0.00 H new ATOM 372 N ALA A 22 5.115 8.859 5.958 1.00 0.00 N ATOM 373 CA ALA A 22 4.923 9.405 7.290 1.00 0.00 C ATOM 374 C ALA A 22 5.347 10.866 7.388 1.00 0.00 C ATOM 375 O ALA A 22 4.561 11.714 7.829 1.00 0.00 O ATOM 376 CB ALA A 22 5.659 8.572 8.320 1.00 0.00 C ATOM 0 H ALA A 22 5.813 8.117 5.917 1.00 0.00 H new ATOM 0 HA ALA A 22 3.853 9.366 7.497 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.503 8.998 9.311 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.280 7.550 8.300 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.725 8.568 8.091 1.00 0.00 H new ATOM 382 N ARG A 23 6.573 11.175 6.921 1.00 0.00 N ATOM 383 CA ARG A 23 7.127 12.544 6.990 1.00 0.00 C ATOM 384 C ARG A 23 6.287 13.536 6.195 1.00 0.00 C ATOM 385 O ARG A 23 6.364 14.755 6.422 1.00 0.00 O ATOM 386 CB ARG A 23 8.611 12.605 6.564 1.00 0.00 C ATOM 387 CG ARG A 23 8.893 12.080 5.169 1.00 0.00 C ATOM 388 CD ARG A 23 10.367 12.192 4.793 1.00 0.00 C ATOM 389 NE ARG A 23 10.790 13.586 4.605 1.00 0.00 N ATOM 390 CZ ARG A 23 12.007 13.992 4.191 1.00 0.00 C ATOM 391 NH1 ARG A 23 13.005 13.114 4.029 1.00 0.00 N ATOM 392 NH2 ARG A 23 12.227 15.285 3.986 1.00 0.00 N ATOM 0 H ARG A 23 7.200 10.495 6.491 1.00 0.00 H new ATOM 0 HA ARG A 23 7.084 12.837 8.039 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.950 13.639 6.623 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.204 12.034 7.279 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.583 11.037 5.107 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.293 12.634 4.447 1.00 0.00 H new ATOM 0 HD2 ARG A 23 10.974 11.732 5.573 1.00 0.00 H new ATOM 0 HD3 ARG A 23 10.549 11.632 3.875 1.00 0.00 H new ATOM 0 HE ARG A 23 10.102 14.311 4.806 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.849 12.124 4.219 1.00 0.00 H new ATOM 0 HH12 ARG A 23 13.921 13.435 3.715 1.00 0.00 H new ATOM 0 HH21 ARG A 23 11.479 15.961 4.142 1.00 0.00 H new ATOM 0 HH22 ARG A 23 13.144 15.603 3.673 1.00 0.00 H new ATOM 406 N HIS A 24 5.481 13.006 5.279 1.00 0.00 N ATOM 407 CA HIS A 24 4.552 13.784 4.481 1.00 0.00 C ATOM 408 C HIS A 24 3.568 14.576 5.381 1.00 0.00 C ATOM 409 O HIS A 24 3.093 15.661 5.003 1.00 0.00 O ATOM 410 CB HIS A 24 3.796 12.846 3.497 1.00 0.00 C ATOM 411 CG HIS A 24 2.719 13.524 2.691 1.00 0.00 C ATOM 412 ND1 HIS A 24 2.814 14.230 1.550 1.00 0.00 N flip ATOM 413 CD2 HIS A 24 1.384 13.552 3.040 1.00 0.00 C flip ATOM 414 CE1 HIS A 24 1.561 14.704 1.190 1.00 0.00 C flip ATOM 415 NE2 HIS A 24 0.736 14.269 2.118 1.00 0.00 N flip ATOM 0 H HIS A 24 5.458 12.008 5.071 1.00 0.00 H new ATOM 0 HA HIS A 24 5.112 14.517 3.901 1.00 0.00 H new ATOM 0 HB2 HIS A 24 4.518 12.400 2.813 1.00 0.00 H new ATOM 0 HB3 HIS A 24 3.348 12.030 4.064 1.00 0.00 H new ATOM 0 HD2 HIS A 24 0.942 13.079 3.904 1.00 0.00 H new ATOM 0 HE1 HIS A 24 1.314 15.305 0.327 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -0.267 14.455 2.132 1.00 0.00 H new ATOM 423 N GLY A 25 3.284 14.061 6.567 1.00 0.00 N ATOM 424 CA GLY A 25 2.393 14.776 7.450 1.00 0.00 C ATOM 425 C GLY A 25 1.603 13.889 8.371 1.00 0.00 C ATOM 426 O GLY A 25 0.826 14.387 9.195 1.00 0.00 O ATOM 0 H GLY A 25 3.647 13.178 6.927 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.976 15.476 8.048 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.701 15.368 6.850 1.00 0.00 H new ATOM 430 N LEU A 26 1.771 12.593 8.232 1.00 0.00 N ATOM 431 CA LEU A 26 1.086 11.627 9.040 1.00 0.00 C ATOM 432 C LEU A 26 1.376 11.745 10.518 1.00 0.00 C ATOM 433 O LEU A 26 2.459 12.162 10.945 1.00 0.00 O ATOM 434 CB LEU A 26 1.405 10.224 8.576 1.00 0.00 C ATOM 435 CG LEU A 26 0.623 9.703 7.374 1.00 0.00 C ATOM 436 CD1 LEU A 26 0.844 10.506 6.111 1.00 0.00 C ATOM 437 CD2 LEU A 26 0.882 8.229 7.161 1.00 0.00 C ATOM 0 H LEU A 26 2.399 12.181 7.542 1.00 0.00 H new ATOM 0 HA LEU A 26 0.025 11.839 8.910 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.467 10.179 8.336 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.238 9.544 9.411 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.432 9.834 7.613 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.256 10.077 5.299 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.534 11.538 6.277 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.901 10.483 5.845 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.314 7.881 6.299 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.945 8.068 6.984 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.574 7.674 8.047 1.00 0.00 H new ATOM 449 N ASP A 27 0.389 11.370 11.272 1.00 0.00 N ATOM 450 CA ASP A 27 0.437 11.332 12.712 1.00 0.00 C ATOM 451 C ASP A 27 0.993 9.981 13.108 1.00 0.00 C ATOM 452 O ASP A 27 1.197 9.126 12.237 1.00 0.00 O ATOM 453 CB ASP A 27 -0.980 11.471 13.282 1.00 0.00 C ATOM 454 CG ASP A 27 -1.731 12.669 12.742 1.00 0.00 C ATOM 455 OD1 ASP A 27 -1.567 13.779 13.286 1.00 0.00 O ATOM 456 OD2 ASP A 27 -2.497 12.515 11.751 1.00 0.00 O ATOM 0 H ASP A 27 -0.509 11.069 10.893 1.00 0.00 H new ATOM 0 HA ASP A 27 1.055 12.144 13.095 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.544 10.566 13.057 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.921 11.548 14.368 1.00 0.00 H new ATOM 461 N HIS A 28 1.193 9.751 14.381 1.00 0.00 N ATOM 462 CA HIS A 28 1.751 8.471 14.841 1.00 0.00 C ATOM 463 C HIS A 28 0.793 7.316 14.575 1.00 0.00 C ATOM 464 O HIS A 28 1.190 6.275 14.044 1.00 0.00 O ATOM 465 CB HIS A 28 2.172 8.525 16.320 1.00 0.00 C ATOM 466 CG HIS A 28 3.402 9.361 16.572 1.00 0.00 C ATOM 467 ND1 HIS A 28 4.529 8.898 17.216 1.00 0.00 N ATOM 468 CD2 HIS A 28 3.659 10.655 16.265 1.00 0.00 C ATOM 469 CE1 HIS A 28 5.411 9.900 17.281 1.00 0.00 C ATOM 470 NE2 HIS A 28 4.931 10.995 16.714 1.00 0.00 N ATOM 0 H HIS A 28 0.985 10.417 15.125 1.00 0.00 H new ATOM 0 HA HIS A 28 2.654 8.289 14.258 1.00 0.00 H new ATOM 0 HB2 HIS A 28 1.346 8.924 16.909 1.00 0.00 H new ATOM 0 HB3 HIS A 28 2.355 7.510 16.673 1.00 0.00 H new ATOM 0 HD2 HIS A 28 2.981 11.320 15.751 1.00 0.00 H new ATOM 0 HE1 HIS A 28 6.387 9.826 17.737 1.00 0.00 H new ATOM 0 HE2 HIS A 28 5.396 11.898 16.625 1.00 0.00 H new ATOM 478 N ASP A 29 -0.486 7.538 14.862 1.00 0.00 N ATOM 479 CA ASP A 29 -1.529 6.531 14.632 1.00 0.00 C ATOM 480 C ASP A 29 -1.649 6.208 13.173 1.00 0.00 C ATOM 481 O ASP A 29 -1.938 5.077 12.804 1.00 0.00 O ATOM 482 CB ASP A 29 -2.894 6.981 15.161 1.00 0.00 C ATOM 483 CG ASP A 29 -3.010 6.896 16.655 1.00 0.00 C ATOM 484 OD1 ASP A 29 -3.379 5.819 17.160 1.00 0.00 O ATOM 485 OD2 ASP A 29 -2.752 7.907 17.353 1.00 0.00 O ATOM 0 H ASP A 29 -0.832 8.412 15.258 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.225 5.640 15.181 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.076 8.009 14.847 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.672 6.367 14.708 1.00 0.00 H new ATOM 490 N LYS A 30 -1.386 7.202 12.356 1.00 0.00 N ATOM 491 CA LYS A 30 -1.453 7.078 10.917 1.00 0.00 C ATOM 492 C LYS A 30 -0.384 6.134 10.418 1.00 0.00 C ATOM 493 O LYS A 30 -0.662 5.258 9.621 1.00 0.00 O ATOM 494 CB LYS A 30 -1.272 8.440 10.278 1.00 0.00 C ATOM 495 CG LYS A 30 -2.367 9.428 10.593 1.00 0.00 C ATOM 496 CD LYS A 30 -3.649 9.105 9.870 1.00 0.00 C ATOM 497 CE LYS A 30 -4.747 10.078 10.253 1.00 0.00 C ATOM 498 NZ LYS A 30 -4.347 11.492 10.078 1.00 0.00 N ATOM 0 H LYS A 30 -1.116 8.132 12.676 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.429 6.676 10.645 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.319 8.857 10.604 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.212 8.315 9.197 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.550 9.435 11.668 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.040 10.431 10.318 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.483 9.143 8.793 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.959 8.088 10.109 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.631 9.878 9.648 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.028 9.911 11.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.197 12.089 10.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.768 11.792 10.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.795 11.591 9.202 1.00 0.00 H new ATOM 512 N VAL A 31 0.834 6.304 10.924 1.00 0.00 N ATOM 513 CA VAL A 31 1.958 5.471 10.534 1.00 0.00 C ATOM 514 C VAL A 31 1.689 4.027 10.936 1.00 0.00 C ATOM 515 O VAL A 31 1.954 3.101 10.169 1.00 0.00 O ATOM 516 CB VAL A 31 3.282 5.976 11.170 1.00 0.00 C ATOM 517 CG1 VAL A 31 4.468 5.113 10.774 1.00 0.00 C ATOM 518 CG2 VAL A 31 3.528 7.415 10.780 1.00 0.00 C ATOM 0 H VAL A 31 1.065 7.020 11.612 1.00 0.00 H new ATOM 0 HA VAL A 31 2.071 5.528 9.451 1.00 0.00 H new ATOM 0 HB VAL A 31 3.176 5.907 12.253 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.373 5.502 11.241 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.300 4.089 11.106 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.583 5.128 9.690 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.459 7.760 11.231 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.600 7.491 9.695 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.703 8.034 11.133 1.00 0.00 H new ATOM 528 N LEU A 32 1.119 3.852 12.117 1.00 0.00 N ATOM 529 CA LEU A 32 0.754 2.534 12.617 1.00 0.00 C ATOM 530 C LEU A 32 -0.276 1.877 11.708 1.00 0.00 C ATOM 531 O LEU A 32 -0.046 0.785 11.203 1.00 0.00 O ATOM 532 CB LEU A 32 0.226 2.632 14.049 1.00 0.00 C ATOM 533 CG LEU A 32 1.191 3.244 15.074 1.00 0.00 C ATOM 534 CD1 LEU A 32 0.575 3.240 16.451 1.00 0.00 C ATOM 535 CD2 LEU A 32 2.528 2.512 15.081 1.00 0.00 C ATOM 0 H LEU A 32 0.896 4.616 12.755 1.00 0.00 H new ATOM 0 HA LEU A 32 1.648 1.910 12.622 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.689 3.225 14.040 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.046 1.632 14.386 1.00 0.00 H new ATOM 0 HG LEU A 32 1.378 4.277 14.781 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.274 3.678 17.164 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.345 3.824 16.440 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.350 2.215 16.746 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.189 2.969 15.817 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.368 1.465 15.338 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.984 2.578 14.093 1.00 0.00 H new ATOM 547 N LEU A 33 -1.371 2.581 11.451 1.00 0.00 N ATOM 548 CA LEU A 33 -2.454 2.070 10.603 1.00 0.00 C ATOM 549 C LEU A 33 -1.981 1.802 9.177 1.00 0.00 C ATOM 550 O LEU A 33 -2.342 0.789 8.573 1.00 0.00 O ATOM 551 CB LEU A 33 -3.629 3.038 10.591 1.00 0.00 C ATOM 552 CG LEU A 33 -4.369 3.222 11.919 1.00 0.00 C ATOM 553 CD1 LEU A 33 -5.329 4.385 11.827 1.00 0.00 C ATOM 554 CD2 LEU A 33 -5.130 1.958 12.288 1.00 0.00 C ATOM 0 H LEU A 33 -1.538 3.517 11.819 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.778 1.121 11.031 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.266 4.012 10.263 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.346 2.697 9.844 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.631 3.427 12.694 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.848 4.504 12.778 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.776 5.296 11.599 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.056 4.195 11.038 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.649 2.109 13.235 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.857 1.730 11.508 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.431 1.128 12.386 1.00 0.00 H new ATOM 566 N PHE A 34 -1.178 2.703 8.654 1.00 0.00 N ATOM 567 CA PHE A 34 -0.634 2.566 7.322 1.00 0.00 C ATOM 568 C PHE A 34 0.273 1.350 7.231 1.00 0.00 C ATOM 569 O PHE A 34 0.079 0.490 6.372 1.00 0.00 O ATOM 570 CB PHE A 34 0.121 3.848 6.914 1.00 0.00 C ATOM 571 CG PHE A 34 0.839 3.760 5.594 1.00 0.00 C ATOM 572 CD1 PHE A 34 0.146 3.868 4.407 1.00 0.00 C ATOM 573 CD2 PHE A 34 2.209 3.551 5.547 1.00 0.00 C ATOM 574 CE1 PHE A 34 0.802 3.770 3.199 1.00 0.00 C ATOM 575 CE2 PHE A 34 2.867 3.450 4.343 1.00 0.00 C ATOM 576 CZ PHE A 34 2.164 3.559 3.169 1.00 0.00 C ATOM 0 H PHE A 34 -0.884 3.550 9.140 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.460 2.420 6.627 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.589 4.674 6.872 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.846 4.090 7.691 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.921 4.031 4.424 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.767 3.466 6.468 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.249 3.859 2.276 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.934 3.285 4.322 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.678 3.479 2.222 1.00 0.00 H new ATOM 586 N SER A 35 1.229 1.256 8.143 1.00 0.00 N ATOM 587 CA SER A 35 2.197 0.196 8.094 1.00 0.00 C ATOM 588 C SER A 35 1.574 -1.168 8.333 1.00 0.00 C ATOM 589 O SER A 35 1.939 -2.126 7.673 1.00 0.00 O ATOM 590 CB SER A 35 3.378 0.462 9.036 1.00 0.00 C ATOM 591 OG SER A 35 2.970 0.633 10.383 1.00 0.00 O ATOM 0 H SER A 35 1.347 1.905 8.921 1.00 0.00 H new ATOM 0 HA SER A 35 2.593 0.179 7.079 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.081 -0.369 8.975 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.909 1.354 8.705 1.00 0.00 H new ATOM 0 HG SER A 35 2.436 1.451 10.462 1.00 0.00 H new ATOM 597 N ARG A 36 0.606 -1.247 9.238 1.00 0.00 N ATOM 598 CA ARG A 36 -0.035 -2.518 9.520 1.00 0.00 C ATOM 599 C ARG A 36 -0.879 -3.002 8.349 1.00 0.00 C ATOM 600 O ARG A 36 -0.963 -4.200 8.111 1.00 0.00 O ATOM 601 CB ARG A 36 -0.833 -2.505 10.828 1.00 0.00 C ATOM 602 CG ARG A 36 -1.979 -1.522 10.884 1.00 0.00 C ATOM 603 CD ARG A 36 -2.615 -1.498 12.259 1.00 0.00 C ATOM 604 NE ARG A 36 -3.132 -2.822 12.661 1.00 0.00 N ATOM 605 CZ ARG A 36 -4.112 -3.028 13.561 1.00 0.00 C ATOM 606 NH1 ARG A 36 -4.672 -1.995 14.204 1.00 0.00 N ATOM 607 NH2 ARG A 36 -4.512 -4.272 13.836 1.00 0.00 N ATOM 0 H ARG A 36 0.254 -0.458 9.780 1.00 0.00 H new ATOM 0 HA ARG A 36 0.771 -3.239 9.660 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.228 -3.506 11.002 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.149 -2.285 11.648 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.619 -0.525 10.630 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.728 -1.790 10.139 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.881 -1.160 12.990 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.430 -0.774 12.267 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.715 -3.643 12.223 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.357 -1.044 14.013 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.414 -2.159 14.884 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.075 -5.064 13.365 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.254 -4.430 14.518 1.00 0.00 H new ATOM 621 N ASP A 37 -1.500 -2.085 7.608 1.00 0.00 N ATOM 622 CA ASP A 37 -2.267 -2.501 6.428 1.00 0.00 C ATOM 623 C ASP A 37 -1.305 -2.931 5.348 1.00 0.00 C ATOM 624 O ASP A 37 -1.432 -4.019 4.787 1.00 0.00 O ATOM 625 CB ASP A 37 -3.164 -1.384 5.903 1.00 0.00 C ATOM 626 CG ASP A 37 -4.092 -1.869 4.779 1.00 0.00 C ATOM 627 OD1 ASP A 37 -5.195 -2.375 5.095 1.00 0.00 O ATOM 628 OD2 ASP A 37 -3.761 -1.739 3.577 1.00 0.00 O ATOM 0 H ASP A 37 -1.492 -1.082 7.792 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.915 -3.328 6.718 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.764 -0.986 6.722 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.545 -0.566 5.534 1.00 0.00 H new ATOM 633 N LEU A 38 -0.305 -2.083 5.128 1.00 0.00 N ATOM 634 CA LEU A 38 0.756 -2.291 4.146 1.00 0.00 C ATOM 635 C LEU A 38 1.454 -3.625 4.345 1.00 0.00 C ATOM 636 O LEU A 38 1.598 -4.403 3.410 1.00 0.00 O ATOM 637 CB LEU A 38 1.771 -1.137 4.248 1.00 0.00 C ATOM 638 CG LEU A 38 3.074 -1.269 3.458 1.00 0.00 C ATOM 639 CD1 LEU A 38 2.803 -1.491 1.997 1.00 0.00 C ATOM 640 CD2 LEU A 38 3.920 -0.031 3.646 1.00 0.00 C ATOM 0 H LEU A 38 -0.207 -1.207 5.642 1.00 0.00 H new ATOM 0 HA LEU A 38 0.308 -2.306 3.152 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.274 -0.222 3.925 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.027 -1.007 5.299 1.00 0.00 H new ATOM 0 HG LEU A 38 3.615 -2.136 3.837 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.748 -1.581 1.461 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.225 -2.406 1.869 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.239 -0.647 1.599 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.846 -0.134 3.080 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.372 0.842 3.290 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.153 0.093 4.704 1.00 0.00 H new ATOM 652 N ASP A 39 1.867 -3.875 5.558 1.00 0.00 N ATOM 653 CA ASP A 39 2.561 -5.096 5.913 1.00 0.00 C ATOM 654 C ASP A 39 1.726 -6.322 5.582 1.00 0.00 C ATOM 655 O ASP A 39 2.198 -7.246 4.905 1.00 0.00 O ATOM 656 CB ASP A 39 2.919 -5.074 7.388 1.00 0.00 C ATOM 657 CG ASP A 39 3.533 -6.350 7.844 1.00 0.00 C ATOM 658 OD1 ASP A 39 4.739 -6.551 7.631 1.00 0.00 O ATOM 659 OD2 ASP A 39 2.821 -7.167 8.442 1.00 0.00 O ATOM 0 H ASP A 39 1.733 -3.234 6.340 1.00 0.00 H new ATOM 0 HA ASP A 39 3.477 -5.155 5.325 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.610 -4.253 7.579 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.021 -4.877 7.974 1.00 0.00 H new ATOM 664 N LYS A 40 0.473 -6.297 5.996 1.00 0.00 N ATOM 665 CA LYS A 40 -0.433 -7.402 5.738 1.00 0.00 C ATOM 666 C LYS A 40 -0.703 -7.541 4.244 1.00 0.00 C ATOM 667 O LYS A 40 -0.833 -8.648 3.738 1.00 0.00 O ATOM 668 CB LYS A 40 -1.749 -7.221 6.474 1.00 0.00 C ATOM 669 CG LYS A 40 -1.651 -7.221 7.996 1.00 0.00 C ATOM 670 CD LYS A 40 -3.018 -6.969 8.615 1.00 0.00 C ATOM 671 CE LYS A 40 -2.951 -6.780 10.129 1.00 0.00 C ATOM 672 NZ LYS A 40 -2.493 -7.985 10.846 1.00 0.00 N ATOM 0 H LYS A 40 0.058 -5.522 6.514 1.00 0.00 H new ATOM 0 HA LYS A 40 0.049 -8.309 6.103 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.198 -6.280 6.155 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.429 -8.017 6.170 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.259 -8.178 8.342 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.950 -6.453 8.322 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.460 -6.082 8.161 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.677 -7.807 8.386 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.278 -5.953 10.356 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.938 -6.499 10.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.469 -7.793 11.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.147 -8.771 10.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.540 -8.242 10.520 1.00 0.00 H new ATOM 686 N LEU A 41 -0.786 -6.410 3.557 1.00 0.00 N ATOM 687 CA LEU A 41 -0.997 -6.361 2.114 1.00 0.00 C ATOM 688 C LEU A 41 0.140 -7.064 1.388 1.00 0.00 C ATOM 689 O LEU A 41 -0.088 -7.886 0.493 1.00 0.00 O ATOM 690 CB LEU A 41 -1.079 -4.900 1.643 1.00 0.00 C ATOM 691 CG LEU A 41 -1.170 -4.669 0.133 1.00 0.00 C ATOM 692 CD1 LEU A 41 -2.448 -5.251 -0.443 1.00 0.00 C ATOM 693 CD2 LEU A 41 -1.045 -3.190 -0.187 1.00 0.00 C ATOM 0 H LEU A 41 -0.708 -5.490 3.989 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.934 -6.869 1.885 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.950 -4.440 2.111 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.201 -4.373 2.016 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.338 -5.192 -0.338 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.479 -5.069 -1.517 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.475 -6.325 -0.256 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.309 -4.778 0.030 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.112 -3.044 -1.265 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.849 -2.642 0.304 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.084 -2.820 0.170 1.00 0.00 H new ATOM 705 N ILE A 42 1.350 -6.765 1.806 1.00 0.00 N ATOM 706 CA ILE A 42 2.537 -7.335 1.197 1.00 0.00 C ATOM 707 C ILE A 42 2.557 -8.827 1.419 1.00 0.00 C ATOM 708 O ILE A 42 2.549 -9.595 0.471 1.00 0.00 O ATOM 709 CB ILE A 42 3.843 -6.689 1.742 1.00 0.00 C ATOM 710 CG1 ILE A 42 3.871 -5.207 1.391 1.00 0.00 C ATOM 711 CG2 ILE A 42 5.077 -7.387 1.178 1.00 0.00 C ATOM 712 CD1 ILE A 42 5.104 -4.475 1.854 1.00 0.00 C ATOM 0 H ILE A 42 1.541 -6.122 2.575 1.00 0.00 H new ATOM 0 HA ILE A 42 2.497 -7.124 0.128 1.00 0.00 H new ATOM 0 HB ILE A 42 3.857 -6.803 2.826 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.787 -5.102 0.309 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.995 -4.727 1.827 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.976 -6.915 1.576 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.063 -8.439 1.464 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.076 -7.306 0.091 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.037 -3.427 1.561 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.182 -4.544 2.939 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.986 -4.924 1.398 1.00 0.00 H new ATOM 724 N ASN A 43 2.503 -9.213 2.667 1.00 0.00 N ATOM 725 CA ASN A 43 2.509 -10.616 3.094 1.00 0.00 C ATOM 726 C ASN A 43 1.366 -11.418 2.445 1.00 0.00 C ATOM 727 O ASN A 43 1.488 -12.630 2.229 1.00 0.00 O ATOM 728 CB ASN A 43 2.447 -10.700 4.624 1.00 0.00 C ATOM 729 CG ASN A 43 3.687 -10.101 5.309 1.00 0.00 C ATOM 730 OD1 ASN A 43 4.819 -10.172 4.800 1.00 0.00 O ATOM 731 ND2 ASN A 43 3.483 -9.483 6.437 1.00 0.00 N ATOM 0 H ASN A 43 2.452 -8.556 3.445 1.00 0.00 H new ATOM 0 HA ASN A 43 3.442 -11.068 2.756 1.00 0.00 H new ATOM 0 HB2 ASN A 43 1.557 -10.178 4.975 1.00 0.00 H new ATOM 0 HB3 ASN A 43 2.343 -11.744 4.921 1.00 0.00 H new ATOM 0 HD21 ASN A 43 4.263 -9.042 6.925 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.544 -9.440 6.832 1.00 0.00 H new ATOM 738 N LYS A 44 0.264 -10.733 2.144 1.00 0.00 N ATOM 739 CA LYS A 44 -0.880 -11.308 1.434 1.00 0.00 C ATOM 740 C LYS A 44 -0.469 -11.702 0.020 1.00 0.00 C ATOM 741 O LYS A 44 -0.731 -12.820 -0.434 1.00 0.00 O ATOM 742 CB LYS A 44 -1.997 -10.268 1.345 1.00 0.00 C ATOM 743 CG LYS A 44 -3.259 -10.733 0.618 1.00 0.00 C ATOM 744 CD LYS A 44 -4.130 -9.562 0.195 1.00 0.00 C ATOM 745 CE LYS A 44 -4.627 -8.746 1.375 1.00 0.00 C ATOM 746 NZ LYS A 44 -5.539 -9.499 2.264 1.00 0.00 N ATOM 0 H LYS A 44 0.138 -9.751 2.389 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.226 -12.188 1.975 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.270 -9.963 2.355 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.610 -9.384 0.839 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.979 -11.314 -0.261 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.831 -11.395 1.269 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.563 -8.916 -0.475 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.985 -9.935 -0.369 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.771 -8.399 1.954 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.142 -7.860 1.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.896 -8.868 3.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.339 -9.867 1.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.025 -10.292 2.698 1.00 0.00 H new ATOM 760 N PHE A 45 0.165 -10.777 -0.668 1.00 0.00 N ATOM 761 CA PHE A 45 0.604 -10.998 -2.029 1.00 0.00 C ATOM 762 C PHE A 45 1.794 -11.904 -2.111 1.00 0.00 C ATOM 763 O PHE A 45 1.926 -12.662 -3.057 1.00 0.00 O ATOM 764 CB PHE A 45 0.836 -9.690 -2.774 1.00 0.00 C ATOM 765 CG PHE A 45 -0.431 -9.084 -3.298 1.00 0.00 C ATOM 766 CD1 PHE A 45 -1.214 -8.261 -2.513 1.00 0.00 C ATOM 767 CD2 PHE A 45 -0.841 -9.360 -4.588 1.00 0.00 C ATOM 768 CE1 PHE A 45 -2.386 -7.722 -3.010 1.00 0.00 C ATOM 769 CE2 PHE A 45 -2.007 -8.826 -5.090 1.00 0.00 C ATOM 770 CZ PHE A 45 -2.780 -8.006 -4.299 1.00 0.00 C ATOM 0 H PHE A 45 0.390 -9.852 -0.301 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.213 -11.514 -2.533 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.324 -8.979 -2.107 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.519 -9.867 -3.605 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.908 -8.036 -1.502 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.239 -10.004 -5.212 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.992 -7.079 -2.389 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.314 -9.050 -6.101 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.695 -7.586 -4.689 1.00 0.00 H new ATOM 780 N MET A 46 2.650 -11.838 -1.124 1.00 0.00 N ATOM 781 CA MET A 46 3.813 -12.703 -1.068 1.00 0.00 C ATOM 782 C MET A 46 3.371 -14.137 -0.867 1.00 0.00 C ATOM 783 O MET A 46 3.865 -15.039 -1.540 1.00 0.00 O ATOM 784 CB MET A 46 4.714 -12.336 0.106 1.00 0.00 C ATOM 785 CG MET A 46 5.199 -10.908 0.135 1.00 0.00 C ATOM 786 SD MET A 46 6.433 -10.636 1.408 1.00 0.00 S ATOM 787 CE MET A 46 7.719 -11.730 0.824 1.00 0.00 C ATOM 0 H MET A 46 2.567 -11.191 -0.340 1.00 0.00 H new ATOM 0 HA MET A 46 4.358 -12.584 -2.004 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.174 -12.536 1.031 1.00 0.00 H new ATOM 0 HB3 MET A 46 5.582 -12.995 0.094 1.00 0.00 H new ATOM 0 HG2 MET A 46 5.619 -10.649 -0.837 1.00 0.00 H new ATOM 0 HG3 MET A 46 4.353 -10.242 0.304 1.00 0.00 H new ATOM 0 HE1 MET A 46 8.683 -11.397 1.209 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.520 -12.744 1.172 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.740 -11.718 -0.266 1.00 0.00 H new ATOM 1151 N LEU B 6 9.399 14.957 -2.653 1.00 0.00 N ATOM 1152 CA LEU B 6 8.996 14.076 -1.577 1.00 0.00 C ATOM 1153 C LEU B 6 8.178 12.932 -2.168 1.00 0.00 C ATOM 1154 O LEU B 6 8.429 11.761 -1.880 1.00 0.00 O ATOM 1155 CB LEU B 6 8.220 14.898 -0.499 1.00 0.00 C ATOM 1156 CG LEU B 6 7.775 14.196 0.817 1.00 0.00 C ATOM 1157 CD1 LEU B 6 6.577 13.291 0.615 1.00 0.00 C ATOM 1158 CD2 LEU B 6 8.929 13.422 1.438 1.00 0.00 C ATOM 0 HA LEU B 6 9.858 13.637 -1.074 1.00 0.00 H new ATOM 0 HB2 LEU B 6 8.844 15.748 -0.223 1.00 0.00 H new ATOM 0 HB3 LEU B 6 7.326 15.301 -0.975 1.00 0.00 H new ATOM 0 HG LEU B 6 7.470 14.985 1.505 1.00 0.00 H new ATOM 0 HD11 LEU B 6 6.308 12.826 1.564 1.00 0.00 H new ATOM 0 HD12 LEU B 6 5.736 13.878 0.247 1.00 0.00 H new ATOM 0 HD13 LEU B 6 6.824 12.517 -0.111 1.00 0.00 H new ATOM 0 HD21 LEU B 6 8.592 12.941 2.356 1.00 0.00 H new ATOM 0 HD22 LEU B 6 9.277 12.663 0.737 1.00 0.00 H new ATOM 0 HD23 LEU B 6 9.746 14.107 1.666 1.00 0.00 H new ATOM 1170 N LYS B 7 7.240 13.284 -3.031 1.00 0.00 N ATOM 1171 CA LYS B 7 6.425 12.304 -3.723 1.00 0.00 C ATOM 1172 C LYS B 7 7.267 11.432 -4.610 1.00 0.00 C ATOM 1173 O LYS B 7 7.017 10.245 -4.719 1.00 0.00 O ATOM 1174 CB LYS B 7 5.305 12.973 -4.517 1.00 0.00 C ATOM 1175 CG LYS B 7 3.936 12.770 -3.895 1.00 0.00 C ATOM 1176 CD LYS B 7 3.435 11.326 -4.080 1.00 0.00 C ATOM 1177 CE LYS B 7 2.943 11.081 -5.497 1.00 0.00 C ATOM 1178 NZ LYS B 7 2.319 9.750 -5.654 1.00 0.00 N ATOM 0 H LYS B 7 7.024 14.252 -3.270 1.00 0.00 H new ATOM 0 HA LYS B 7 5.961 11.669 -2.968 1.00 0.00 H new ATOM 0 HB2 LYS B 7 5.509 14.041 -4.593 1.00 0.00 H new ATOM 0 HB3 LYS B 7 5.299 12.576 -5.532 1.00 0.00 H new ATOM 0 HG2 LYS B 7 3.981 13.006 -2.832 1.00 0.00 H new ATOM 0 HG3 LYS B 7 3.225 13.462 -4.346 1.00 0.00 H new ATOM 0 HD2 LYS B 7 4.240 10.629 -3.848 1.00 0.00 H new ATOM 0 HD3 LYS B 7 2.628 11.127 -3.375 1.00 0.00 H new ATOM 0 HE2 LYS B 7 2.221 11.852 -5.767 1.00 0.00 H new ATOM 0 HE3 LYS B 7 3.779 11.171 -6.190 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 2.030 9.617 -6.644 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 3.003 9.013 -5.390 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 1.484 9.683 -5.038 1.00 0.00 H new ATOM 1192 N ASN B 8 8.279 12.024 -5.221 1.00 0.00 N ATOM 1193 CA ASN B 8 9.210 11.288 -6.064 1.00 0.00 C ATOM 1194 C ASN B 8 9.919 10.210 -5.263 1.00 0.00 C ATOM 1195 O ASN B 8 10.077 9.082 -5.741 1.00 0.00 O ATOM 1196 CB ASN B 8 10.241 12.228 -6.704 1.00 0.00 C ATOM 1197 CG ASN B 8 11.274 11.487 -7.537 1.00 0.00 C ATOM 1198 OD1 ASN B 8 11.075 11.251 -8.722 1.00 0.00 O ATOM 1199 ND2 ASN B 8 12.387 11.142 -6.939 1.00 0.00 N ATOM 0 H ASN B 8 8.479 13.022 -5.149 1.00 0.00 H new ATOM 0 HA ASN B 8 8.634 10.817 -6.860 1.00 0.00 H new ATOM 0 HB2 ASN B 8 9.724 12.952 -7.334 1.00 0.00 H new ATOM 0 HB3 ASN B 8 10.748 12.791 -5.921 1.00 0.00 H new ATOM 0 HD21 ASN B 8 13.119 10.662 -7.462 1.00 0.00 H new ATOM 0 HD22 ASN B 8 12.521 11.353 -5.950 1.00 0.00 H new ATOM 1206 N LYS B 9 10.343 10.563 -4.042 1.00 0.00 N ATOM 1207 CA LYS B 9 11.000 9.612 -3.152 1.00 0.00 C ATOM 1208 C LYS B 9 10.051 8.475 -2.836 1.00 0.00 C ATOM 1209 O LYS B 9 10.428 7.304 -2.917 1.00 0.00 O ATOM 1210 CB LYS B 9 11.442 10.273 -1.842 1.00 0.00 C ATOM 1211 CG LYS B 9 12.437 11.414 -1.987 1.00 0.00 C ATOM 1212 CD LYS B 9 12.756 12.019 -0.629 1.00 0.00 C ATOM 1213 CE LYS B 9 13.658 13.241 -0.731 1.00 0.00 C ATOM 1214 NZ LYS B 9 14.976 12.945 -1.344 1.00 0.00 N ATOM 0 H LYS B 9 10.240 11.501 -3.654 1.00 0.00 H new ATOM 0 HA LYS B 9 11.888 9.238 -3.662 1.00 0.00 H new ATOM 0 HB2 LYS B 9 10.557 10.649 -1.329 1.00 0.00 H new ATOM 0 HB3 LYS B 9 11.882 9.509 -1.201 1.00 0.00 H new ATOM 0 HG2 LYS B 9 13.352 11.049 -2.453 1.00 0.00 H new ATOM 0 HG3 LYS B 9 12.027 12.180 -2.646 1.00 0.00 H new ATOM 0 HD2 LYS B 9 11.827 12.298 -0.132 1.00 0.00 H new ATOM 0 HD3 LYS B 9 13.238 11.267 -0.004 1.00 0.00 H new ATOM 0 HE2 LYS B 9 13.155 14.008 -1.320 1.00 0.00 H new ATOM 0 HE3 LYS B 9 13.813 13.655 0.266 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 15.562 13.804 -1.339 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 15.452 12.198 -0.799 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 14.839 12.625 -2.324 1.00 0.00 H new ATOM 1228 N ILE B 10 8.809 8.836 -2.496 1.00 0.00 N ATOM 1229 CA ILE B 10 7.760 7.871 -2.195 1.00 0.00 C ATOM 1230 C ILE B 10 7.560 6.928 -3.372 1.00 0.00 C ATOM 1231 O ILE B 10 7.605 5.721 -3.199 1.00 0.00 O ATOM 1232 CB ILE B 10 6.409 8.571 -1.829 1.00 0.00 C ATOM 1233 CG1 ILE B 10 6.568 9.385 -0.539 1.00 0.00 C ATOM 1234 CG2 ILE B 10 5.266 7.557 -1.689 1.00 0.00 C ATOM 1235 CD1 ILE B 10 5.315 10.117 -0.101 1.00 0.00 C ATOM 0 H ILE B 10 8.508 9.808 -2.423 1.00 0.00 H new ATOM 0 HA ILE B 10 8.080 7.299 -1.324 1.00 0.00 H new ATOM 0 HB ILE B 10 6.150 9.246 -2.645 1.00 0.00 H new ATOM 0 HG12 ILE B 10 6.882 8.716 0.262 1.00 0.00 H new ATOM 0 HG13 ILE B 10 7.368 10.112 -0.679 1.00 0.00 H new ATOM 0 HG21 ILE B 10 4.344 8.080 -1.434 1.00 0.00 H new ATOM 0 HG22 ILE B 10 5.133 7.026 -2.632 1.00 0.00 H new ATOM 0 HG23 ILE B 10 5.507 6.843 -0.901 1.00 0.00 H new ATOM 0 HD11 ILE B 10 5.517 10.666 0.819 1.00 0.00 H new ATOM 0 HD12 ILE B 10 5.010 10.815 -0.881 1.00 0.00 H new ATOM 0 HD13 ILE B 10 4.516 9.397 0.075 1.00 0.00 H new ATOM 1247 N GLU B 11 7.388 7.495 -4.565 1.00 0.00 N ATOM 1248 CA GLU B 11 7.191 6.715 -5.782 1.00 0.00 C ATOM 1249 C GLU B 11 8.340 5.759 -6.011 1.00 0.00 C ATOM 1250 O GLU B 11 8.130 4.560 -6.147 1.00 0.00 O ATOM 1251 CB GLU B 11 7.025 7.623 -7.010 1.00 0.00 C ATOM 1252 CG GLU B 11 5.802 8.510 -6.960 1.00 0.00 C ATOM 1253 CD GLU B 11 4.545 7.721 -6.786 1.00 0.00 C ATOM 1254 OE1 GLU B 11 4.054 7.118 -7.760 1.00 0.00 O ATOM 1255 OE2 GLU B 11 4.005 7.685 -5.675 1.00 0.00 O ATOM 0 H GLU B 11 7.382 8.504 -4.713 1.00 0.00 H new ATOM 0 HA GLU B 11 6.275 6.140 -5.646 1.00 0.00 H new ATOM 0 HB2 GLU B 11 7.911 8.250 -7.108 1.00 0.00 H new ATOM 0 HB3 GLU B 11 6.974 7.001 -7.904 1.00 0.00 H new ATOM 0 HG2 GLU B 11 5.902 9.219 -6.138 1.00 0.00 H new ATOM 0 HG3 GLU B 11 5.740 9.094 -7.879 1.00 0.00 H new ATOM 1262 N ASN B 12 9.541 6.295 -6.000 1.00 0.00 N ATOM 1263 CA ASN B 12 10.763 5.530 -6.236 1.00 0.00 C ATOM 1264 C ASN B 12 10.882 4.373 -5.246 1.00 0.00 C ATOM 1265 O ASN B 12 11.065 3.221 -5.639 1.00 0.00 O ATOM 1266 CB ASN B 12 11.984 6.454 -6.101 1.00 0.00 C ATOM 1267 CG ASN B 12 13.312 5.769 -6.382 1.00 0.00 C ATOM 1268 OD1 ASN B 12 13.414 4.855 -7.212 1.00 0.00 O ATOM 1269 ND2 ASN B 12 14.339 6.214 -5.708 1.00 0.00 N ATOM 0 H ASN B 12 9.707 7.286 -5.825 1.00 0.00 H new ATOM 0 HA ASN B 12 10.723 5.117 -7.244 1.00 0.00 H new ATOM 0 HB2 ASN B 12 11.868 7.294 -6.786 1.00 0.00 H new ATOM 0 HB3 ASN B 12 12.006 6.866 -5.092 1.00 0.00 H new ATOM 0 HD21 ASN B 12 15.262 5.807 -5.858 1.00 0.00 H new ATOM 0 HD22 ASN B 12 14.217 6.968 -5.032 1.00 0.00 H new ATOM 1276 N LYS B 13 10.708 4.684 -3.973 1.00 0.00 N ATOM 1277 CA LYS B 13 10.851 3.714 -2.899 1.00 0.00 C ATOM 1278 C LYS B 13 9.765 2.631 -2.987 1.00 0.00 C ATOM 1279 O LYS B 13 10.055 1.436 -2.883 1.00 0.00 O ATOM 1280 CB LYS B 13 10.777 4.436 -1.561 1.00 0.00 C ATOM 1281 CG LYS B 13 11.141 3.592 -0.358 1.00 0.00 C ATOM 1282 CD LYS B 13 12.585 3.110 -0.404 1.00 0.00 C ATOM 1283 CE LYS B 13 13.586 4.249 -0.438 1.00 0.00 C ATOM 1284 NZ LYS B 13 14.980 3.760 -0.304 1.00 0.00 N ATOM 0 H LYS B 13 10.462 5.621 -3.653 1.00 0.00 H new ATOM 0 HA LYS B 13 11.818 3.220 -2.993 1.00 0.00 H new ATOM 0 HB2 LYS B 13 11.441 5.300 -1.594 1.00 0.00 H new ATOM 0 HB3 LYS B 13 9.765 4.817 -1.426 1.00 0.00 H new ATOM 0 HG2 LYS B 13 10.983 4.172 0.551 1.00 0.00 H new ATOM 0 HG3 LYS B 13 10.475 2.731 -0.306 1.00 0.00 H new ATOM 0 HD2 LYS B 13 12.782 2.485 0.467 1.00 0.00 H new ATOM 0 HD3 LYS B 13 12.726 2.483 -1.284 1.00 0.00 H new ATOM 0 HE2 LYS B 13 13.481 4.797 -1.374 1.00 0.00 H new ATOM 0 HE3 LYS B 13 13.367 4.950 0.368 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 15.531 4.433 0.267 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 14.978 2.830 0.162 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 15.410 3.673 -1.247 1.00 0.00 H new ATOM 1298 N LYS B 14 8.535 3.072 -3.179 1.00 0.00 N ATOM 1299 CA LYS B 14 7.377 2.225 -3.351 1.00 0.00 C ATOM 1300 C LYS B 14 7.589 1.272 -4.532 1.00 0.00 C ATOM 1301 O LYS B 14 7.375 0.079 -4.404 1.00 0.00 O ATOM 1302 CB LYS B 14 6.137 3.130 -3.553 1.00 0.00 C ATOM 1303 CG LYS B 14 4.831 2.434 -3.912 1.00 0.00 C ATOM 1304 CD LYS B 14 3.751 3.448 -4.328 1.00 0.00 C ATOM 1305 CE LYS B 14 4.024 4.041 -5.706 1.00 0.00 C ATOM 1306 NZ LYS B 14 3.093 5.146 -6.057 1.00 0.00 N ATOM 0 H LYS B 14 8.311 4.066 -3.220 1.00 0.00 H new ATOM 0 HA LYS B 14 7.220 1.606 -2.468 1.00 0.00 H new ATOM 0 HB2 LYS B 14 5.978 3.699 -2.637 1.00 0.00 H new ATOM 0 HB3 LYS B 14 6.366 3.850 -4.339 1.00 0.00 H new ATOM 0 HG2 LYS B 14 5.004 1.730 -4.726 1.00 0.00 H new ATOM 0 HG3 LYS B 14 4.479 1.855 -3.058 1.00 0.00 H new ATOM 0 HD2 LYS B 14 2.777 2.959 -4.330 1.00 0.00 H new ATOM 0 HD3 LYS B 14 3.704 4.250 -3.591 1.00 0.00 H new ATOM 0 HE2 LYS B 14 5.048 4.412 -5.740 1.00 0.00 H new ATOM 0 HE3 LYS B 14 3.945 3.254 -6.456 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 3.176 5.361 -7.071 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 2.117 4.859 -5.843 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 3.334 5.992 -5.503 1.00 0.00 H new ATOM 1320 N LYS B 15 8.067 1.798 -5.659 1.00 0.00 N ATOM 1321 CA LYS B 15 8.323 0.976 -6.840 1.00 0.00 C ATOM 1322 C LYS B 15 9.480 0.003 -6.595 1.00 0.00 C ATOM 1323 O LYS B 15 9.453 -1.140 -7.065 1.00 0.00 O ATOM 1324 CB LYS B 15 8.549 1.836 -8.092 1.00 0.00 C ATOM 1325 CG LYS B 15 7.343 2.713 -8.454 1.00 0.00 C ATOM 1326 CD LYS B 15 7.549 3.546 -9.727 1.00 0.00 C ATOM 1327 CE LYS B 15 7.261 2.769 -11.032 1.00 0.00 C ATOM 1328 NZ LYS B 15 8.162 1.622 -11.269 1.00 0.00 N ATOM 0 H LYS B 15 8.284 2.787 -5.779 1.00 0.00 H new ATOM 0 HA LYS B 15 7.431 0.379 -7.027 1.00 0.00 H new ATOM 0 HB2 LYS B 15 9.418 2.474 -7.934 1.00 0.00 H new ATOM 0 HB3 LYS B 15 8.781 1.184 -8.934 1.00 0.00 H new ATOM 0 HG2 LYS B 15 6.468 2.077 -8.584 1.00 0.00 H new ATOM 0 HG3 LYS B 15 7.129 3.384 -7.622 1.00 0.00 H new ATOM 0 HD2 LYS B 15 6.902 4.422 -9.686 1.00 0.00 H new ATOM 0 HD3 LYS B 15 8.576 3.910 -9.750 1.00 0.00 H new ATOM 0 HE2 LYS B 15 6.233 2.409 -11.007 1.00 0.00 H new ATOM 0 HE3 LYS B 15 7.338 3.456 -11.875 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 8.169 1.390 -12.283 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 9.125 1.868 -10.964 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 7.827 0.800 -10.728 1.00 0.00 H new ATOM 1342 N GLU B 16 10.488 0.442 -5.841 1.00 0.00 N ATOM 1343 CA GLU B 16 11.584 -0.437 -5.432 1.00 0.00 C ATOM 1344 C GLU B 16 11.070 -1.597 -4.597 1.00 0.00 C ATOM 1345 O GLU B 16 11.558 -2.741 -4.711 1.00 0.00 O ATOM 1346 CB GLU B 16 12.694 0.336 -4.701 1.00 0.00 C ATOM 1347 CG GLU B 16 13.578 1.144 -5.633 1.00 0.00 C ATOM 1348 CD GLU B 16 14.271 0.267 -6.653 1.00 0.00 C ATOM 1349 OE1 GLU B 16 15.195 -0.496 -6.271 1.00 0.00 O ATOM 1350 OE2 GLU B 16 13.922 0.323 -7.844 1.00 0.00 O ATOM 0 H GLU B 16 10.568 1.400 -5.501 1.00 0.00 H new ATOM 0 HA GLU B 16 12.028 -0.850 -6.338 1.00 0.00 H new ATOM 0 HB2 GLU B 16 12.240 1.006 -3.971 1.00 0.00 H new ATOM 0 HB3 GLU B 16 13.313 -0.369 -4.145 1.00 0.00 H new ATOM 0 HG2 GLU B 16 12.975 1.893 -6.147 1.00 0.00 H new ATOM 0 HG3 GLU B 16 14.325 1.682 -5.049 1.00 0.00 H new ATOM 1357 N LEU B 17 10.076 -1.316 -3.801 1.00 0.00 N ATOM 1358 CA LEU B 17 9.444 -2.310 -2.992 1.00 0.00 C ATOM 1359 C LEU B 17 8.598 -3.245 -3.844 1.00 0.00 C ATOM 1360 O LEU B 17 8.660 -4.458 -3.662 1.00 0.00 O ATOM 1361 CB LEU B 17 8.640 -1.633 -1.849 1.00 0.00 C ATOM 1362 CG LEU B 17 7.631 -2.478 -1.049 1.00 0.00 C ATOM 1363 CD1 LEU B 17 6.334 -2.671 -1.784 1.00 0.00 C ATOM 1364 CD2 LEU B 17 8.237 -3.788 -0.570 1.00 0.00 C ATOM 0 H LEU B 17 9.681 -0.381 -3.698 1.00 0.00 H new ATOM 0 HA LEU B 17 10.205 -2.933 -2.522 1.00 0.00 H new ATOM 0 HB2 LEU B 17 9.358 -1.219 -1.141 1.00 0.00 H new ATOM 0 HB3 LEU B 17 8.097 -0.792 -2.281 1.00 0.00 H new ATOM 0 HG LEU B 17 7.385 -1.908 -0.153 1.00 0.00 H new ATOM 0 HD11 LEU B 17 5.658 -3.273 -1.177 1.00 0.00 H new ATOM 0 HD12 LEU B 17 5.879 -1.700 -1.980 1.00 0.00 H new ATOM 0 HD13 LEU B 17 6.524 -3.180 -2.729 1.00 0.00 H new ATOM 0 HD21 LEU B 17 7.490 -4.351 -0.011 1.00 0.00 H new ATOM 0 HD22 LEU B 17 8.564 -4.373 -1.429 1.00 0.00 H new ATOM 0 HD23 LEU B 17 9.092 -3.580 0.074 1.00 0.00 H new ATOM 1376 N ILE B 18 7.817 -2.681 -4.755 1.00 0.00 N ATOM 1377 CA ILE B 18 6.927 -3.469 -5.614 1.00 0.00 C ATOM 1378 C ILE B 18 7.719 -4.542 -6.345 1.00 0.00 C ATOM 1379 O ILE B 18 7.315 -5.694 -6.386 1.00 0.00 O ATOM 1380 CB ILE B 18 6.160 -2.580 -6.633 1.00 0.00 C ATOM 1381 CG1 ILE B 18 5.298 -1.565 -5.881 1.00 0.00 C ATOM 1382 CG2 ILE B 18 5.281 -3.442 -7.556 1.00 0.00 C ATOM 1383 CD1 ILE B 18 4.706 -0.486 -6.751 1.00 0.00 C ATOM 0 H ILE B 18 7.778 -1.676 -4.923 1.00 0.00 H new ATOM 0 HA ILE B 18 6.185 -3.941 -4.970 1.00 0.00 H new ATOM 0 HB ILE B 18 6.885 -2.051 -7.251 1.00 0.00 H new ATOM 0 HG12 ILE B 18 4.489 -2.095 -5.379 1.00 0.00 H new ATOM 0 HG13 ILE B 18 5.903 -1.097 -5.104 1.00 0.00 H new ATOM 0 HG21 ILE B 18 4.754 -2.799 -8.261 1.00 0.00 H new ATOM 0 HG22 ILE B 18 5.909 -4.144 -8.105 1.00 0.00 H new ATOM 0 HG23 ILE B 18 4.557 -3.994 -6.957 1.00 0.00 H new ATOM 0 HD11 ILE B 18 4.110 0.190 -6.138 1.00 0.00 H new ATOM 0 HD12 ILE B 18 5.508 0.073 -7.233 1.00 0.00 H new ATOM 0 HD13 ILE B 18 4.071 -0.940 -7.512 1.00 0.00 H new ATOM 1395 N GLN B 19 8.878 -4.151 -6.850 1.00 0.00 N ATOM 1396 CA GLN B 19 9.801 -5.058 -7.523 1.00 0.00 C ATOM 1397 C GLN B 19 10.231 -6.192 -6.597 1.00 0.00 C ATOM 1398 O GLN B 19 10.340 -7.338 -7.028 1.00 0.00 O ATOM 1399 CB GLN B 19 11.021 -4.299 -7.988 1.00 0.00 C ATOM 1400 CG GLN B 19 10.764 -3.306 -9.095 1.00 0.00 C ATOM 1401 CD GLN B 19 11.937 -2.393 -9.274 1.00 0.00 C ATOM 1402 OE1 GLN B 19 12.860 -2.672 -10.033 1.00 0.00 O ATOM 1403 NE2 GLN B 19 11.904 -1.306 -8.590 1.00 0.00 N ATOM 0 H GLN B 19 9.210 -3.187 -6.805 1.00 0.00 H new ATOM 0 HA GLN B 19 9.285 -5.488 -8.381 1.00 0.00 H new ATOM 0 HB2 GLN B 19 11.449 -3.770 -7.136 1.00 0.00 H new ATOM 0 HB3 GLN B 19 11.770 -5.015 -8.328 1.00 0.00 H new ATOM 0 HG2 GLN B 19 10.565 -3.836 -10.026 1.00 0.00 H new ATOM 0 HG3 GLN B 19 9.874 -2.721 -8.865 1.00 0.00 H new ATOM 0 HE21 GLN B 19 11.115 -1.116 -7.971 1.00 0.00 H new ATOM 0 HE22 GLN B 19 12.666 -0.633 -8.666 1.00 0.00 H new ATOM 1412 N LEU B 20 10.458 -5.868 -5.328 1.00 0.00 N ATOM 1413 CA LEU B 20 10.857 -6.870 -4.344 1.00 0.00 C ATOM 1414 C LEU B 20 9.724 -7.855 -4.075 1.00 0.00 C ATOM 1415 O LEU B 20 9.945 -9.070 -4.086 1.00 0.00 O ATOM 1416 CB LEU B 20 11.332 -6.224 -3.042 1.00 0.00 C ATOM 1417 CG LEU B 20 12.584 -5.349 -3.123 1.00 0.00 C ATOM 1418 CD1 LEU B 20 12.885 -4.741 -1.771 1.00 0.00 C ATOM 1419 CD2 LEU B 20 13.778 -6.155 -3.613 1.00 0.00 C ATOM 0 H LEU B 20 10.373 -4.922 -4.957 1.00 0.00 H new ATOM 0 HA LEU B 20 11.697 -7.422 -4.766 1.00 0.00 H new ATOM 0 HB2 LEU B 20 10.518 -5.616 -2.648 1.00 0.00 H new ATOM 0 HB3 LEU B 20 11.518 -7.017 -2.317 1.00 0.00 H new ATOM 0 HG LEU B 20 12.395 -4.548 -3.838 1.00 0.00 H new ATOM 0 HD11 LEU B 20 13.778 -4.120 -1.842 1.00 0.00 H new ATOM 0 HD12 LEU B 20 12.042 -4.128 -1.452 1.00 0.00 H new ATOM 0 HD13 LEU B 20 13.052 -5.536 -1.044 1.00 0.00 H new ATOM 0 HD21 LEU B 20 14.656 -5.511 -3.662 1.00 0.00 H new ATOM 0 HD22 LEU B 20 13.969 -6.977 -2.924 1.00 0.00 H new ATOM 0 HD23 LEU B 20 13.565 -6.555 -4.605 1.00 0.00 H new ATOM 1431 N VAL B 21 8.515 -7.340 -3.825 1.00 0.00 N ATOM 1432 CA VAL B 21 7.351 -8.202 -3.642 1.00 0.00 C ATOM 1433 C VAL B 21 7.111 -9.047 -4.910 1.00 0.00 C ATOM 1434 O VAL B 21 6.868 -10.242 -4.834 1.00 0.00 O ATOM 1435 CB VAL B 21 6.075 -7.372 -3.337 1.00 0.00 C ATOM 1436 CG1 VAL B 21 4.895 -8.271 -2.983 1.00 0.00 C ATOM 1437 CG2 VAL B 21 6.336 -6.381 -2.228 1.00 0.00 C ATOM 0 H VAL B 21 8.322 -6.342 -3.746 1.00 0.00 H new ATOM 0 HA VAL B 21 7.555 -8.855 -2.793 1.00 0.00 H new ATOM 0 HB VAL B 21 5.815 -6.822 -4.242 1.00 0.00 H new ATOM 0 HG11 VAL B 21 4.019 -7.657 -2.775 1.00 0.00 H new ATOM 0 HG12 VAL B 21 4.681 -8.937 -3.819 1.00 0.00 H new ATOM 0 HG13 VAL B 21 5.140 -8.863 -2.101 1.00 0.00 H new ATOM 0 HG21 VAL B 21 5.429 -5.810 -2.030 1.00 0.00 H new ATOM 0 HG22 VAL B 21 6.633 -6.915 -1.325 1.00 0.00 H new ATOM 0 HG23 VAL B 21 7.135 -5.702 -2.527 1.00 0.00 H new ATOM 1447 N ALA B 22 7.237 -8.415 -6.058 1.00 0.00 N ATOM 1448 CA ALA B 22 7.004 -9.045 -7.347 1.00 0.00 C ATOM 1449 C ALA B 22 7.949 -10.224 -7.591 1.00 0.00 C ATOM 1450 O ALA B 22 7.498 -11.336 -7.906 1.00 0.00 O ATOM 1451 CB ALA B 22 7.115 -8.022 -8.464 1.00 0.00 C ATOM 0 H ALA B 22 7.508 -7.434 -6.126 1.00 0.00 H new ATOM 0 HA ALA B 22 5.991 -9.446 -7.337 1.00 0.00 H new ATOM 0 HB1 ALA B 22 6.938 -8.509 -9.423 1.00 0.00 H new ATOM 0 HB2 ALA B 22 6.374 -7.237 -8.314 1.00 0.00 H new ATOM 0 HB3 ALA B 22 8.113 -7.584 -8.458 1.00 0.00 H new ATOM 1457 N ARG B 23 9.245 -10.003 -7.373 1.00 0.00 N ATOM 1458 CA ARG B 23 10.264 -11.039 -7.605 1.00 0.00 C ATOM 1459 C ARG B 23 10.164 -12.175 -6.602 1.00 0.00 C ATOM 1460 O ARG B 23 10.832 -13.201 -6.748 1.00 0.00 O ATOM 1461 CB ARG B 23 11.677 -10.461 -7.605 1.00 0.00 C ATOM 1462 CG ARG B 23 12.089 -9.809 -6.302 1.00 0.00 C ATOM 1463 CD ARG B 23 13.460 -9.184 -6.409 1.00 0.00 C ATOM 1464 NE ARG B 23 13.516 -8.167 -7.468 1.00 0.00 N ATOM 1465 CZ ARG B 23 14.427 -7.197 -7.552 1.00 0.00 C ATOM 1466 NH1 ARG B 23 15.366 -7.080 -6.621 1.00 0.00 N ATOM 1467 NH2 ARG B 23 14.395 -6.349 -8.568 1.00 0.00 N ATOM 0 H ARG B 23 9.619 -9.116 -7.036 1.00 0.00 H new ATOM 0 HA ARG B 23 10.061 -11.444 -8.596 1.00 0.00 H new ATOM 0 HB2 ARG B 23 12.382 -11.259 -7.836 1.00 0.00 H new ATOM 0 HB3 ARG B 23 11.755 -9.725 -8.405 1.00 0.00 H new ATOM 0 HG2 ARG B 23 11.360 -9.046 -6.028 1.00 0.00 H new ATOM 0 HG3 ARG B 23 12.087 -10.552 -5.505 1.00 0.00 H new ATOM 0 HD2 ARG B 23 13.728 -8.730 -5.455 1.00 0.00 H new ATOM 0 HD3 ARG B 23 14.198 -9.960 -6.611 1.00 0.00 H new ATOM 0 HE ARG B 23 12.802 -8.206 -8.196 1.00 0.00 H new ATOM 0 HH11 ARG B 23 15.392 -7.733 -5.838 1.00 0.00 H new ATOM 0 HH12 ARG B 23 16.061 -6.337 -6.689 1.00 0.00 H new ATOM 0 HH21 ARG B 23 13.674 -6.438 -9.284 1.00 0.00 H new ATOM 0 HH22 ARG B 23 15.091 -5.606 -8.634 1.00 0.00 H new ATOM 1481 N HIS B 24 9.355 -11.988 -5.581 1.00 0.00 N ATOM 1482 CA HIS B 24 9.114 -13.025 -4.612 1.00 0.00 C ATOM 1483 C HIS B 24 8.362 -14.207 -5.263 1.00 0.00 C ATOM 1484 O HIS B 24 8.555 -15.365 -4.882 1.00 0.00 O ATOM 1485 CB HIS B 24 8.355 -12.468 -3.381 1.00 0.00 C ATOM 1486 CG HIS B 24 8.002 -13.525 -2.358 1.00 0.00 C ATOM 1487 ND1 HIS B 24 8.760 -14.075 -1.388 1.00 0.00 N flip ATOM 1488 CD2 HIS B 24 6.780 -14.157 -2.274 1.00 0.00 C flip ATOM 1489 CE1 HIS B 24 8.028 -15.039 -0.710 1.00 0.00 C flip ATOM 1490 NE2 HIS B 24 6.847 -15.048 -1.280 1.00 0.00 N flip ATOM 0 H HIS B 24 8.852 -11.119 -5.404 1.00 0.00 H new ATOM 0 HA HIS B 24 10.074 -13.398 -4.256 1.00 0.00 H new ATOM 0 HB2 HIS B 24 8.966 -11.702 -2.904 1.00 0.00 H new ATOM 0 HB3 HIS B 24 7.440 -11.981 -3.719 1.00 0.00 H new ATOM 0 HD2 HIS B 24 5.921 -13.966 -2.900 1.00 0.00 H new ATOM 0 HE1 HIS B 24 8.361 -15.653 0.114 1.00 0.00 H new ATOM 0 HE2 HIS B 24 6.078 -15.657 -1.001 1.00 0.00 H new ATOM 1498 N GLY B 25 7.551 -13.919 -6.267 1.00 0.00 N ATOM 1499 CA GLY B 25 6.816 -14.991 -6.916 1.00 0.00 C ATOM 1500 C GLY B 25 5.474 -14.569 -7.457 1.00 0.00 C ATOM 1501 O GLY B 25 4.692 -15.401 -7.908 1.00 0.00 O ATOM 0 H GLY B 25 7.388 -12.984 -6.641 1.00 0.00 H new ATOM 0 HA2 GLY B 25 7.418 -15.388 -7.733 1.00 0.00 H new ATOM 0 HA3 GLY B 25 6.671 -15.803 -6.203 1.00 0.00 H new ATOM 1505 N LEU B 26 5.185 -13.296 -7.382 1.00 0.00 N ATOM 1506 CA LEU B 26 3.980 -12.745 -7.913 1.00 0.00 C ATOM 1507 C LEU B 26 3.874 -12.880 -9.416 1.00 0.00 C ATOM 1508 O LEU B 26 4.875 -12.944 -10.137 1.00 0.00 O ATOM 1509 CB LEU B 26 3.882 -11.283 -7.542 1.00 0.00 C ATOM 1510 CG LEU B 26 3.316 -10.967 -6.167 1.00 0.00 C ATOM 1511 CD1 LEU B 26 4.109 -11.567 -5.037 1.00 0.00 C ATOM 1512 CD2 LEU B 26 3.106 -9.480 -5.993 1.00 0.00 C ATOM 0 H LEU B 26 5.795 -12.607 -6.942 1.00 0.00 H new ATOM 0 HA LEU B 26 3.159 -13.315 -7.478 1.00 0.00 H new ATOM 0 HB2 LEU B 26 4.879 -10.847 -7.609 1.00 0.00 H new ATOM 0 HB3 LEU B 26 3.265 -10.783 -8.288 1.00 0.00 H new ATOM 0 HG LEU B 26 2.341 -11.451 -6.117 1.00 0.00 H new ATOM 0 HD11 LEU B 26 3.647 -11.300 -4.086 1.00 0.00 H new ATOM 0 HD12 LEU B 26 4.126 -12.652 -5.140 1.00 0.00 H new ATOM 0 HD13 LEU B 26 5.129 -11.184 -5.065 1.00 0.00 H new ATOM 0 HD21 LEU B 26 2.700 -9.283 -5.001 1.00 0.00 H new ATOM 0 HD22 LEU B 26 4.059 -8.962 -6.105 1.00 0.00 H new ATOM 0 HD23 LEU B 26 2.407 -9.120 -6.748 1.00 0.00 H new ATOM 1524 N ASP B 27 2.660 -12.957 -9.863 1.00 0.00 N ATOM 1525 CA ASP B 27 2.336 -12.948 -11.275 1.00 0.00 C ATOM 1526 C ASP B 27 2.242 -11.503 -11.696 1.00 0.00 C ATOM 1527 O ASP B 27 2.206 -10.623 -10.831 1.00 0.00 O ATOM 1528 CB ASP B 27 0.983 -13.639 -11.539 1.00 0.00 C ATOM 1529 CG ASP B 27 0.976 -15.114 -11.214 1.00 0.00 C ATOM 1530 OD1 ASP B 27 0.838 -15.482 -10.018 1.00 0.00 O ATOM 1531 OD2 ASP B 27 1.077 -15.937 -12.140 1.00 0.00 O ATOM 0 H ASP B 27 1.844 -13.030 -9.255 1.00 0.00 H new ATOM 0 HA ASP B 27 3.101 -13.486 -11.835 1.00 0.00 H new ATOM 0 HB2 ASP B 27 0.212 -13.143 -10.949 1.00 0.00 H new ATOM 0 HB3 ASP B 27 0.717 -13.507 -12.588 1.00 0.00 H new ATOM 1536 N HIS B 28 2.171 -11.240 -12.982 1.00 0.00 N ATOM 1537 CA HIS B 28 2.062 -9.864 -13.467 1.00 0.00 C ATOM 1538 C HIS B 28 0.802 -9.204 -12.934 1.00 0.00 C ATOM 1539 O HIS B 28 0.832 -8.051 -12.517 1.00 0.00 O ATOM 1540 CB HIS B 28 2.119 -9.783 -15.001 1.00 0.00 C ATOM 1541 CG HIS B 28 3.467 -10.092 -15.596 1.00 0.00 C ATOM 1542 ND1 HIS B 28 3.826 -11.314 -16.133 1.00 0.00 N ATOM 1543 CD2 HIS B 28 4.546 -9.292 -15.758 1.00 0.00 C ATOM 1544 CE1 HIS B 28 5.074 -11.216 -16.593 1.00 0.00 C ATOM 1545 NE2 HIS B 28 5.559 -10.006 -16.389 1.00 0.00 N ATOM 0 H HIS B 28 2.186 -11.950 -13.714 1.00 0.00 H new ATOM 0 HA HIS B 28 2.926 -9.319 -13.087 1.00 0.00 H new ATOM 0 HB2 HIS B 28 1.386 -10.475 -15.416 1.00 0.00 H new ATOM 0 HB3 HIS B 28 1.821 -8.781 -15.310 1.00 0.00 H new ATOM 0 HD2 HIS B 28 4.611 -8.260 -15.446 1.00 0.00 H new ATOM 0 HE1 HIS B 28 5.616 -12.020 -17.069 1.00 0.00 H new ATOM 0 HE2 HIS B 28 6.486 -9.665 -16.642 1.00 0.00 H new ATOM 1553 N ASP B 29 -0.284 -9.973 -12.882 1.00 0.00 N ATOM 1554 CA ASP B 29 -1.557 -9.485 -12.354 1.00 0.00 C ATOM 1555 C ASP B 29 -1.418 -9.149 -10.889 1.00 0.00 C ATOM 1556 O ASP B 29 -1.929 -8.141 -10.421 1.00 0.00 O ATOM 1557 CB ASP B 29 -2.695 -10.501 -12.542 1.00 0.00 C ATOM 1558 CG ASP B 29 -3.052 -10.753 -13.984 1.00 0.00 C ATOM 1559 OD1 ASP B 29 -3.478 -9.818 -14.677 1.00 0.00 O ATOM 1560 OD2 ASP B 29 -2.883 -11.895 -14.465 1.00 0.00 O ATOM 0 H ASP B 29 -0.308 -10.942 -13.201 1.00 0.00 H new ATOM 0 HA ASP B 29 -1.815 -8.589 -12.919 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -2.408 -11.445 -12.078 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -3.580 -10.143 -12.015 1.00 0.00 H new ATOM 1565 N LYS B 30 -0.680 -9.987 -10.180 1.00 0.00 N ATOM 1566 CA LYS B 30 -0.407 -9.798 -8.764 1.00 0.00 C ATOM 1567 C LYS B 30 0.288 -8.465 -8.521 1.00 0.00 C ATOM 1568 O LYS B 30 -0.087 -7.734 -7.622 1.00 0.00 O ATOM 1569 CB LYS B 30 0.454 -10.945 -8.239 1.00 0.00 C ATOM 1570 CG LYS B 30 -0.266 -12.268 -8.070 1.00 0.00 C ATOM 1571 CD LYS B 30 -0.941 -12.356 -6.712 1.00 0.00 C ATOM 1572 CE LYS B 30 -1.857 -13.562 -6.626 1.00 0.00 C ATOM 1573 NZ LYS B 30 -2.499 -13.681 -5.306 1.00 0.00 N ATOM 0 H LYS B 30 -0.250 -10.824 -10.573 1.00 0.00 H new ATOM 0 HA LYS B 30 -1.356 -9.792 -8.228 1.00 0.00 H new ATOM 0 HB2 LYS B 30 1.292 -11.090 -8.921 1.00 0.00 H new ATOM 0 HB3 LYS B 30 0.873 -10.652 -7.276 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -1.011 -12.383 -8.857 1.00 0.00 H new ATOM 0 HG3 LYS B 30 0.444 -13.088 -8.180 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -0.183 -12.416 -5.931 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -1.515 -11.448 -6.530 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -2.625 -13.488 -7.396 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -1.284 -14.466 -6.832 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -3.115 -14.519 -5.294 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -1.768 -13.778 -4.572 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -3.067 -12.830 -5.118 1.00 0.00 H new ATOM 1587 N VAL B 31 1.275 -8.154 -9.355 1.00 0.00 N ATOM 1588 CA VAL B 31 2.019 -6.910 -9.258 1.00 0.00 C ATOM 1589 C VAL B 31 1.076 -5.723 -9.473 1.00 0.00 C ATOM 1590 O VAL B 31 1.079 -4.773 -8.696 1.00 0.00 O ATOM 1591 CB VAL B 31 3.171 -6.856 -10.304 1.00 0.00 C ATOM 1592 CG1 VAL B 31 4.015 -5.605 -10.148 1.00 0.00 C ATOM 1593 CG2 VAL B 31 4.033 -8.100 -10.223 1.00 0.00 C ATOM 0 H VAL B 31 1.579 -8.760 -10.117 1.00 0.00 H new ATOM 0 HA VAL B 31 2.459 -6.857 -8.262 1.00 0.00 H new ATOM 0 HB VAL B 31 2.712 -6.819 -11.292 1.00 0.00 H new ATOM 0 HG11 VAL B 31 4.808 -5.605 -10.896 1.00 0.00 H new ATOM 0 HG12 VAL B 31 3.388 -4.724 -10.284 1.00 0.00 H new ATOM 0 HG13 VAL B 31 4.457 -5.586 -9.152 1.00 0.00 H new ATOM 0 HG21 VAL B 31 4.831 -8.039 -10.963 1.00 0.00 H new ATOM 0 HG22 VAL B 31 4.468 -8.177 -9.227 1.00 0.00 H new ATOM 0 HG23 VAL B 31 3.421 -8.980 -10.421 1.00 0.00 H new ATOM 1603 N LEU B 32 0.241 -5.826 -10.501 1.00 0.00 N ATOM 1604 CA LEU B 32 -0.722 -4.779 -10.861 1.00 0.00 C ATOM 1605 C LEU B 32 -1.716 -4.523 -9.742 1.00 0.00 C ATOM 1606 O LEU B 32 -2.011 -3.366 -9.412 1.00 0.00 O ATOM 1607 CB LEU B 32 -1.473 -5.160 -12.138 1.00 0.00 C ATOM 1608 CG LEU B 32 -0.613 -5.448 -13.370 1.00 0.00 C ATOM 1609 CD1 LEU B 32 -1.482 -5.750 -14.567 1.00 0.00 C ATOM 1610 CD2 LEU B 32 0.329 -4.295 -13.663 1.00 0.00 C ATOM 0 H LEU B 32 0.209 -6.640 -11.114 1.00 0.00 H new ATOM 0 HA LEU B 32 -0.157 -3.862 -11.031 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -2.078 -6.043 -11.929 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -2.162 -4.352 -12.383 1.00 0.00 H new ATOM 0 HG LEU B 32 -0.005 -6.328 -13.158 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -0.851 -5.952 -15.433 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -2.100 -6.623 -14.357 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -2.123 -4.894 -14.777 1.00 0.00 H new ATOM 0 HD21 LEU B 32 0.927 -4.529 -14.544 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -0.250 -3.390 -13.847 1.00 0.00 H new ATOM 0 HD23 LEU B 32 0.987 -4.137 -12.809 1.00 0.00 H new ATOM 1622 N LEU B 33 -2.224 -5.586 -9.161 1.00 0.00 N ATOM 1623 CA LEU B 33 -3.190 -5.483 -8.083 1.00 0.00 C ATOM 1624 C LEU B 33 -2.535 -4.959 -6.816 1.00 0.00 C ATOM 1625 O LEU B 33 -3.128 -4.150 -6.082 1.00 0.00 O ATOM 1626 CB LEU B 33 -3.829 -6.833 -7.802 1.00 0.00 C ATOM 1627 CG LEU B 33 -4.564 -7.501 -8.968 1.00 0.00 C ATOM 1628 CD1 LEU B 33 -5.059 -8.875 -8.563 1.00 0.00 C ATOM 1629 CD2 LEU B 33 -5.716 -6.637 -9.462 1.00 0.00 C ATOM 0 H LEU B 33 -1.983 -6.543 -9.418 1.00 0.00 H new ATOM 0 HA LEU B 33 -3.962 -4.781 -8.398 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -3.050 -7.513 -7.456 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -4.534 -6.711 -6.980 1.00 0.00 H new ATOM 0 HG LEU B 33 -3.858 -7.614 -9.791 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -5.579 -9.336 -9.402 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -4.211 -9.497 -8.275 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -5.743 -8.781 -7.720 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -6.218 -7.138 -10.290 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -6.426 -6.478 -8.650 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -5.330 -5.675 -9.800 1.00 0.00 H new ATOM 1641 N PHE B 34 -1.324 -5.414 -6.561 1.00 0.00 N ATOM 1642 CA PHE B 34 -0.581 -4.999 -5.397 1.00 0.00 C ATOM 1643 C PHE B 34 -0.245 -3.523 -5.456 1.00 0.00 C ATOM 1644 O PHE B 34 -0.559 -2.777 -4.526 1.00 0.00 O ATOM 1645 CB PHE B 34 0.704 -5.836 -5.223 1.00 0.00 C ATOM 1646 CG PHE B 34 1.581 -5.362 -4.101 1.00 0.00 C ATOM 1647 CD1 PHE B 34 1.224 -5.584 -2.788 1.00 0.00 C ATOM 1648 CD2 PHE B 34 2.745 -4.655 -4.366 1.00 0.00 C ATOM 1649 CE1 PHE B 34 2.011 -5.120 -1.760 1.00 0.00 C ATOM 1650 CE2 PHE B 34 3.529 -4.187 -3.339 1.00 0.00 C ATOM 1651 CZ PHE B 34 3.159 -4.420 -2.040 1.00 0.00 C ATOM 0 H PHE B 34 -0.832 -6.080 -7.156 1.00 0.00 H new ATOM 0 HA PHE B 34 -1.219 -5.170 -4.530 1.00 0.00 H new ATOM 0 HB2 PHE B 34 0.429 -6.876 -5.044 1.00 0.00 H new ATOM 0 HB3 PHE B 34 1.272 -5.812 -6.153 1.00 0.00 H new ATOM 0 HD1 PHE B 34 0.318 -6.127 -2.565 1.00 0.00 H new ATOM 0 HD2 PHE B 34 3.038 -4.471 -5.389 1.00 0.00 H new ATOM 0 HE1 PHE B 34 1.727 -5.306 -0.735 1.00 0.00 H new ATOM 0 HE2 PHE B 34 4.433 -3.638 -3.555 1.00 0.00 H new ATOM 0 HZ PHE B 34 3.774 -4.051 -1.232 1.00 0.00 H new ATOM 1661 N SER B 35 0.346 -3.097 -6.565 1.00 0.00 N ATOM 1662 CA SER B 35 0.810 -1.738 -6.715 1.00 0.00 C ATOM 1663 C SER B 35 -0.319 -0.729 -6.593 1.00 0.00 C ATOM 1664 O SER B 35 -0.146 0.318 -5.985 1.00 0.00 O ATOM 1665 CB SER B 35 1.563 -1.575 -8.033 1.00 0.00 C ATOM 1666 OG SER B 35 0.771 -1.994 -9.125 1.00 0.00 O ATOM 0 H SER B 35 0.513 -3.688 -7.380 1.00 0.00 H new ATOM 0 HA SER B 35 1.499 -1.533 -5.896 1.00 0.00 H new ATOM 0 HB2 SER B 35 1.849 -0.532 -8.166 1.00 0.00 H new ATOM 0 HB3 SER B 35 2.485 -2.156 -8.004 1.00 0.00 H new ATOM 0 HG SER B 35 0.801 -2.971 -9.195 1.00 0.00 H new ATOM 1672 N ARG B 36 -1.486 -1.064 -7.124 1.00 0.00 N ATOM 1673 CA ARG B 36 -2.607 -0.148 -7.076 1.00 0.00 C ATOM 1674 C ARG B 36 -3.200 -0.046 -5.679 1.00 0.00 C ATOM 1675 O ARG B 36 -3.601 1.048 -5.253 1.00 0.00 O ATOM 1676 CB ARG B 36 -3.674 -0.477 -8.123 1.00 0.00 C ATOM 1677 CG ARG B 36 -4.337 -1.827 -7.993 1.00 0.00 C ATOM 1678 CD ARG B 36 -5.205 -2.108 -9.204 1.00 0.00 C ATOM 1679 NE ARG B 36 -6.249 -1.075 -9.397 1.00 0.00 N ATOM 1680 CZ ARG B 36 -7.119 -1.042 -10.425 1.00 0.00 C ATOM 1681 NH1 ARG B 36 -7.049 -1.951 -11.381 1.00 0.00 N ATOM 1682 NH2 ARG B 36 -8.035 -0.083 -10.499 1.00 0.00 N ATOM 0 H ARG B 36 -1.677 -1.953 -7.587 1.00 0.00 H new ATOM 0 HA ARG B 36 -2.212 0.836 -7.330 1.00 0.00 H new ATOM 0 HB2 ARG B 36 -4.447 0.291 -8.079 1.00 0.00 H new ATOM 0 HB3 ARG B 36 -3.217 -0.413 -9.111 1.00 0.00 H new ATOM 0 HG2 ARG B 36 -3.579 -2.604 -7.893 1.00 0.00 H new ATOM 0 HG3 ARG B 36 -4.944 -1.856 -7.088 1.00 0.00 H new ATOM 0 HD2 ARG B 36 -4.578 -2.159 -10.094 1.00 0.00 H new ATOM 0 HD3 ARG B 36 -5.678 -3.083 -9.091 1.00 0.00 H new ATOM 0 HE ARG B 36 -6.314 -0.333 -8.700 1.00 0.00 H new ATOM 0 HH11 ARG B 36 -6.336 -2.679 -11.341 1.00 0.00 H new ATOM 0 HH12 ARG B 36 -7.708 -1.925 -12.159 1.00 0.00 H new ATOM 0 HH21 ARG B 36 -8.082 0.634 -9.775 1.00 0.00 H new ATOM 0 HH22 ARG B 36 -8.691 -0.063 -11.280 1.00 0.00 H new ATOM 1696 N ASP B 37 -3.235 -1.167 -4.947 1.00 0.00 N ATOM 1697 CA ASP B 37 -3.753 -1.143 -3.578 1.00 0.00 C ATOM 1698 C ASP B 37 -2.783 -0.382 -2.698 1.00 0.00 C ATOM 1699 O ASP B 37 -3.178 0.485 -1.923 1.00 0.00 O ATOM 1700 CB ASP B 37 -3.956 -2.548 -3.022 1.00 0.00 C ATOM 1701 CG ASP B 37 -4.734 -2.536 -1.713 1.00 0.00 C ATOM 1702 OD1 ASP B 37 -4.163 -2.337 -0.642 1.00 0.00 O ATOM 1703 OD2 ASP B 37 -5.976 -2.703 -1.757 1.00 0.00 O ATOM 0 H ASP B 37 -2.918 -2.081 -5.272 1.00 0.00 H new ATOM 0 HA ASP B 37 -4.726 -0.651 -3.590 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -4.488 -3.155 -3.755 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -2.986 -3.019 -2.863 1.00 0.00 H new ATOM 1708 N LEU B 38 -1.512 -0.694 -2.872 1.00 0.00 N ATOM 1709 CA LEU B 38 -0.414 -0.030 -2.181 1.00 0.00 C ATOM 1710 C LEU B 38 -0.462 1.471 -2.421 1.00 0.00 C ATOM 1711 O LEU B 38 -0.450 2.260 -1.484 1.00 0.00 O ATOM 1712 CB LEU B 38 0.916 -0.622 -2.686 1.00 0.00 C ATOM 1713 CG LEU B 38 2.211 0.131 -2.362 1.00 0.00 C ATOM 1714 CD1 LEU B 38 2.385 0.341 -0.881 1.00 0.00 C ATOM 1715 CD2 LEU B 38 3.391 -0.626 -2.921 1.00 0.00 C ATOM 0 H LEU B 38 -1.205 -1.429 -3.509 1.00 0.00 H new ATOM 0 HA LEU B 38 -0.501 -0.195 -1.107 1.00 0.00 H new ATOM 0 HB2 LEU B 38 1.007 -1.630 -2.282 1.00 0.00 H new ATOM 0 HB3 LEU B 38 0.848 -0.718 -3.770 1.00 0.00 H new ATOM 0 HG LEU B 38 2.151 1.116 -2.825 1.00 0.00 H new ATOM 0 HD11 LEU B 38 3.315 0.878 -0.697 1.00 0.00 H new ATOM 0 HD12 LEU B 38 1.548 0.922 -0.495 1.00 0.00 H new ATOM 0 HD13 LEU B 38 2.418 -0.625 -0.378 1.00 0.00 H new ATOM 0 HD21 LEU B 38 4.311 -0.089 -2.689 1.00 0.00 H new ATOM 0 HD22 LEU B 38 3.430 -1.620 -2.476 1.00 0.00 H new ATOM 0 HD23 LEU B 38 3.286 -0.717 -4.002 1.00 0.00 H new ATOM 1727 N ASP B 39 -0.548 1.842 -3.677 1.00 0.00 N ATOM 1728 CA ASP B 39 -0.596 3.236 -4.083 1.00 0.00 C ATOM 1729 C ASP B 39 -1.794 3.942 -3.462 1.00 0.00 C ATOM 1730 O ASP B 39 -1.666 5.054 -2.952 1.00 0.00 O ATOM 1731 CB ASP B 39 -0.643 3.331 -5.612 1.00 0.00 C ATOM 1732 CG ASP B 39 -0.649 4.740 -6.146 1.00 0.00 C ATOM 1733 OD1 ASP B 39 0.434 5.349 -6.261 1.00 0.00 O ATOM 1734 OD2 ASP B 39 -1.733 5.250 -6.511 1.00 0.00 O ATOM 0 H ASP B 39 -0.587 1.184 -4.455 1.00 0.00 H new ATOM 0 HA ASP B 39 0.305 3.735 -3.726 1.00 0.00 H new ATOM 0 HB2 ASP B 39 0.217 2.803 -6.024 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -1.535 2.816 -5.969 1.00 0.00 H new ATOM 1739 N LYS B 40 -2.942 3.259 -3.428 1.00 0.00 N ATOM 1740 CA LYS B 40 -4.160 3.865 -2.901 1.00 0.00 C ATOM 1741 C LYS B 40 -4.066 4.027 -1.390 1.00 0.00 C ATOM 1742 O LYS B 40 -4.593 4.979 -0.837 1.00 0.00 O ATOM 1743 CB LYS B 40 -5.425 3.061 -3.269 1.00 0.00 C ATOM 1744 CG LYS B 40 -5.885 2.029 -2.233 1.00 0.00 C ATOM 1745 CD LYS B 40 -7.113 1.267 -2.683 1.00 0.00 C ATOM 1746 CE LYS B 40 -7.778 0.551 -1.510 1.00 0.00 C ATOM 1747 NZ LYS B 40 -6.869 -0.361 -0.779 1.00 0.00 N ATOM 0 H LYS B 40 -3.050 2.299 -3.755 1.00 0.00 H new ATOM 0 HA LYS B 40 -4.251 4.847 -3.366 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -6.241 3.763 -3.442 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -5.243 2.545 -4.212 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -5.075 1.326 -2.040 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -6.099 2.534 -1.291 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -7.823 1.955 -3.143 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -6.834 0.540 -3.446 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -8.168 1.295 -0.815 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -8.631 -0.019 -1.879 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -7.198 -0.466 0.202 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -6.863 -1.291 -1.244 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -5.907 0.033 -0.781 1.00 0.00 H new ATOM 1761 N LEU B 41 -3.386 3.088 -0.737 1.00 0.00 N ATOM 1762 CA LEU B 41 -3.191 3.118 0.703 1.00 0.00 C ATOM 1763 C LEU B 41 -2.386 4.339 1.056 1.00 0.00 C ATOM 1764 O LEU B 41 -2.659 5.033 2.042 1.00 0.00 O ATOM 1765 CB LEU B 41 -2.457 1.855 1.154 1.00 0.00 C ATOM 1766 CG LEU B 41 -2.143 1.733 2.649 1.00 0.00 C ATOM 1767 CD1 LEU B 41 -3.415 1.739 3.488 1.00 0.00 C ATOM 1768 CD2 LEU B 41 -1.330 0.484 2.914 1.00 0.00 C ATOM 0 H LEU B 41 -2.955 2.285 -1.196 1.00 0.00 H new ATOM 0 HA LEU B 41 -4.156 3.157 1.208 1.00 0.00 H new ATOM 0 HB2 LEU B 41 -3.055 0.992 0.861 1.00 0.00 H new ATOM 0 HB3 LEU B 41 -1.518 1.793 0.604 1.00 0.00 H new ATOM 0 HG LEU B 41 -1.554 2.602 2.942 1.00 0.00 H new ATOM 0 HD11 LEU B 41 -3.155 1.651 4.543 1.00 0.00 H new ATOM 0 HD12 LEU B 41 -3.955 2.672 3.324 1.00 0.00 H new ATOM 0 HD13 LEU B 41 -4.046 0.899 3.198 1.00 0.00 H new ATOM 0 HD21 LEU B 41 -1.114 0.410 3.980 1.00 0.00 H new ATOM 0 HD22 LEU B 41 -1.895 -0.392 2.596 1.00 0.00 H new ATOM 0 HD23 LEU B 41 -0.394 0.534 2.357 1.00 0.00 H new ATOM 1780 N ILE B 42 -1.444 4.626 0.201 1.00 0.00 N ATOM 1781 CA ILE B 42 -0.590 5.760 0.368 1.00 0.00 C ATOM 1782 C ILE B 42 -1.405 7.012 0.186 1.00 0.00 C ATOM 1783 O ILE B 42 -1.481 7.824 1.086 1.00 0.00 O ATOM 1784 CB ILE B 42 0.613 5.721 -0.607 1.00 0.00 C ATOM 1785 CG1 ILE B 42 1.479 4.501 -0.292 1.00 0.00 C ATOM 1786 CG2 ILE B 42 1.437 7.002 -0.517 1.00 0.00 C ATOM 1787 CD1 ILE B 42 2.656 4.327 -1.204 1.00 0.00 C ATOM 0 H ILE B 42 -1.249 4.074 -0.635 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.170 5.744 1.374 1.00 0.00 H new ATOM 0 HB ILE B 42 0.237 5.645 -1.627 1.00 0.00 H new ATOM 0 HG12 ILE B 42 1.838 4.580 0.734 1.00 0.00 H new ATOM 0 HG13 ILE B 42 0.858 3.606 -0.344 1.00 0.00 H new ATOM 0 HG21 ILE B 42 2.274 6.946 -1.213 1.00 0.00 H new ATOM 0 HG22 ILE B 42 0.810 7.856 -0.772 1.00 0.00 H new ATOM 0 HG23 ILE B 42 1.816 7.120 0.498 1.00 0.00 H new ATOM 0 HD11 ILE B 42 3.216 3.439 -0.910 1.00 0.00 H new ATOM 0 HD12 ILE B 42 2.307 4.213 -2.230 1.00 0.00 H new ATOM 0 HD13 ILE B 42 3.302 5.202 -1.135 1.00 0.00 H new ATOM 1799 N ASN B 43 -2.078 7.113 -0.955 1.00 0.00 N ATOM 1800 CA ASN B 43 -2.949 8.261 -1.290 1.00 0.00 C ATOM 1801 C ASN B 43 -3.946 8.540 -0.167 1.00 0.00 C ATOM 1802 O ASN B 43 -4.144 9.698 0.228 1.00 0.00 O ATOM 1803 CB ASN B 43 -3.721 8.021 -2.609 1.00 0.00 C ATOM 1804 CG ASN B 43 -2.817 7.790 -3.810 1.00 0.00 C ATOM 1805 OD1 ASN B 43 -1.699 8.301 -3.877 1.00 0.00 O ATOM 1806 ND2 ASN B 43 -3.285 7.019 -4.764 1.00 0.00 N ATOM 0 H ASN B 43 -2.042 6.402 -1.686 1.00 0.00 H new ATOM 0 HA ASN B 43 -2.298 9.126 -1.416 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -4.375 7.158 -2.486 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -4.362 8.880 -2.807 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -2.718 6.829 -5.590 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -4.216 6.610 -4.679 1.00 0.00 H new ATOM 1813 N LYS B 44 -4.523 7.460 0.372 1.00 0.00 N ATOM 1814 CA LYS B 44 -5.481 7.514 1.481 1.00 0.00 C ATOM 1815 C LYS B 44 -4.868 8.215 2.692 1.00 0.00 C ATOM 1816 O LYS B 44 -5.471 9.121 3.278 1.00 0.00 O ATOM 1817 CB LYS B 44 -5.915 6.082 1.876 1.00 0.00 C ATOM 1818 CG LYS B 44 -6.895 6.012 3.050 1.00 0.00 C ATOM 1819 CD LYS B 44 -7.176 4.576 3.492 1.00 0.00 C ATOM 1820 CE LYS B 44 -7.980 3.786 2.462 1.00 0.00 C ATOM 1821 NZ LYS B 44 -9.317 4.380 2.207 1.00 0.00 N ATOM 0 H LYS B 44 -4.335 6.512 0.046 1.00 0.00 H new ATOM 0 HA LYS B 44 -6.352 8.081 1.153 1.00 0.00 H new ATOM 0 HB2 LYS B 44 -6.372 5.603 1.010 1.00 0.00 H new ATOM 0 HB3 LYS B 44 -5.026 5.504 2.127 1.00 0.00 H new ATOM 0 HG2 LYS B 44 -6.490 6.575 3.891 1.00 0.00 H new ATOM 0 HG3 LYS B 44 -7.832 6.492 2.766 1.00 0.00 H new ATOM 0 HD2 LYS B 44 -6.231 4.066 3.677 1.00 0.00 H new ATOM 0 HD3 LYS B 44 -7.720 4.591 4.437 1.00 0.00 H new ATOM 0 HE2 LYS B 44 -7.422 3.741 1.527 1.00 0.00 H new ATOM 0 HE3 LYS B 44 -8.102 2.760 2.810 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 -9.903 3.702 1.679 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 -9.776 4.603 3.113 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 -9.209 5.251 1.650 1.00 0.00 H new ATOM 1835 N PHE B 45 -3.670 7.810 3.050 1.00 0.00 N ATOM 1836 CA PHE B 45 -2.995 8.368 4.201 1.00 0.00 C ATOM 1837 C PHE B 45 -2.339 9.704 3.929 1.00 0.00 C ATOM 1838 O PHE B 45 -2.157 10.504 4.850 1.00 0.00 O ATOM 1839 CB PHE B 45 -2.032 7.379 4.828 1.00 0.00 C ATOM 1840 CG PHE B 45 -2.723 6.388 5.705 1.00 0.00 C ATOM 1841 CD1 PHE B 45 -3.270 5.228 5.190 1.00 0.00 C ATOM 1842 CD2 PHE B 45 -2.847 6.641 7.053 1.00 0.00 C ATOM 1843 CE1 PHE B 45 -3.922 4.334 6.013 1.00 0.00 C ATOM 1844 CE2 PHE B 45 -3.501 5.755 7.881 1.00 0.00 C ATOM 1845 CZ PHE B 45 -4.039 4.602 7.360 1.00 0.00 C ATOM 0 H PHE B 45 -3.140 7.091 2.557 1.00 0.00 H new ATOM 0 HA PHE B 45 -3.778 8.570 4.932 1.00 0.00 H new ATOM 0 HB2 PHE B 45 -1.495 6.850 4.041 1.00 0.00 H new ATOM 0 HB3 PHE B 45 -1.289 7.921 5.413 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -3.186 5.020 4.134 1.00 0.00 H new ATOM 0 HD2 PHE B 45 -2.426 7.546 7.466 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -4.340 3.426 5.603 1.00 0.00 H new ATOM 0 HE2 PHE B 45 -3.591 5.966 8.936 1.00 0.00 H new ATOM 0 HZ PHE B 45 -4.553 3.906 8.006 1.00 0.00 H new ATOM 1855 N MET B 46 -1.996 9.963 2.675 1.00 0.00 N ATOM 1856 CA MET B 46 -1.444 11.259 2.283 1.00 0.00 C ATOM 1857 C MET B 46 -2.530 12.318 2.408 1.00 0.00 C ATOM 1858 O MET B 46 -2.233 13.510 2.488 1.00 0.00 O ATOM 1859 CB MET B 46 -0.936 11.261 0.834 1.00 0.00 C ATOM 1860 CG MET B 46 0.115 10.225 0.501 1.00 0.00 C ATOM 1861 SD MET B 46 0.835 10.459 -1.138 1.00 0.00 S ATOM 1862 CE MET B 46 1.753 11.962 -0.859 1.00 0.00 C ATOM 0 H MET B 46 -2.089 9.295 1.909 1.00 0.00 H new ATOM 0 HA MET B 46 -0.601 11.469 2.941 1.00 0.00 H new ATOM 0 HB2 MET B 46 -1.788 11.112 0.171 1.00 0.00 H new ATOM 0 HB3 MET B 46 -0.529 12.248 0.614 1.00 0.00 H new ATOM 0 HG2 MET B 46 0.907 10.264 1.249 1.00 0.00 H new ATOM 0 HG3 MET B 46 -0.330 9.232 0.559 1.00 0.00 H new ATOM 0 HE1 MET B 46 2.715 11.901 -1.368 1.00 0.00 H new ATOM 0 HE2 MET B 46 1.190 12.810 -1.248 1.00 0.00 H new ATOM 0 HE3 MET B 46 1.917 12.095 0.210 1.00 0.00 H new