USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 665 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 Single : A 6 SER OG : rot -0:sc= 0.877 USER MOD Single : A 7 SER OG : rot 146:sc= 1.25 USER MOD Single : A 8 GLN : amide:sc= 0.863 K(o=0.86,f=-0.00014) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 THR OG1 : rot -34:sc= 0.601 USER MOD Single : A 19 SER OG : rot 93:sc= 1.29 USER MOD Single : A 20 MET CE :methyl 169:sc= -0.0282 (180deg=-0.238) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot -143:sc= -1.1 USER MOD Single : A 30 MET CE :methyl -107:sc= -2.38 (180deg=-6.21!) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 ASN : amide:sc= -0.497 X(o=-0.5,f=-0.56) USER MOD Single : A 44 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.118) USER MOD Single : A 46 GLN : amide:sc= -0.341 K(o=-0.34,f=-1.9) USER MOD Single : A 47 GLN : amide:sc= -0.17 X(o=-0.17,f=-0.0031) USER MOD Single : A 49 SER OG : rot -84:sc= 0.947 USER MOD Single : A 51 CYS SG : rot 33:sc= -1.94! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.74! X(o=-0.74!,f=-0.98) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 19:sc= 0.732 USER MOD Single : A 66 SER OG : rot 180:sc= -0.238 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 58:sc= 0.144 USER MOD Single : A 75 SER OG : rot -86:sc= -0.0533 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 LYS NZ :NH3+ -177:sc= 1.24 (180deg=1.21) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -161:sc= -0.106 (180deg=-0.592) USER MOD Single : A 82 MET CE :methyl 140:sc= -3.37! (180deg=-6.24!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 5 15.832 9.417 -2.447 1.00 0.00 N ATOM 2 CA ILE A 5 14.579 9.105 -3.122 1.00 0.00 C ATOM 3 C ILE A 5 14.262 7.616 -2.993 1.00 0.00 C ATOM 4 O ILE A 5 14.808 6.801 -3.737 1.00 0.00 O ATOM 5 CB ILE A 5 14.631 9.492 -4.618 1.00 0.00 C ATOM 6 CG1 ILE A 5 15.028 10.963 -4.778 1.00 0.00 C ATOM 7 CG2 ILE A 5 13.285 9.225 -5.284 1.00 0.00 C ATOM 8 CD1 ILE A 5 15.221 11.387 -6.219 1.00 0.00 C ATOM 0 HA ILE A 5 13.794 9.689 -2.642 1.00 0.00 H new ATOM 0 HB ILE A 5 15.386 8.877 -5.108 1.00 0.00 H new ATOM 0 HG12 ILE A 5 14.260 11.589 -4.324 1.00 0.00 H new ATOM 0 HG13 ILE A 5 15.952 11.143 -4.228 1.00 0.00 H new ATOM 0 HG21 ILE A 5 13.338 9.503 -6.337 1.00 0.00 H new ATOM 0 HG22 ILE A 5 13.041 8.166 -5.200 1.00 0.00 H new ATOM 0 HG23 ILE A 5 12.512 9.815 -4.792 1.00 0.00 H new ATOM 0 HD11 ILE A 5 15.501 12.440 -6.254 1.00 0.00 H new ATOM 0 HD12 ILE A 5 16.010 10.787 -6.672 1.00 0.00 H new ATOM 0 HD13 ILE A 5 14.292 11.240 -6.769 1.00 0.00 H new ATOM 20 N SER A 6 13.387 7.295 -2.029 1.00 0.00 N ATOM 21 CA SER A 6 12.940 5.921 -1.723 1.00 0.00 C ATOM 22 C SER A 6 14.097 5.014 -1.286 1.00 0.00 C ATOM 23 O SER A 6 15.188 5.044 -1.856 1.00 0.00 O ATOM 24 CB SER A 6 12.157 5.290 -2.893 1.00 0.00 C ATOM 25 OG SER A 6 12.961 5.110 -4.045 1.00 0.00 O ATOM 0 H SER A 6 12.959 7.996 -1.425 1.00 0.00 H new ATOM 0 HA SER A 6 12.257 6.008 -0.878 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.755 4.327 -2.580 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.307 5.925 -3.142 1.00 0.00 H new ATOM 0 HG SER A 6 13.868 5.434 -3.865 1.00 0.00 H new ATOM 31 N SER A 7 13.855 4.206 -0.269 1.00 0.00 N ATOM 32 CA SER A 7 14.891 3.340 0.269 1.00 0.00 C ATOM 33 C SER A 7 14.471 1.876 0.204 1.00 0.00 C ATOM 34 O SER A 7 13.980 1.318 1.185 1.00 0.00 O ATOM 35 CB SER A 7 15.194 3.723 1.710 1.00 0.00 C ATOM 36 OG SER A 7 15.376 5.125 1.840 1.00 0.00 O ATOM 0 H SER A 7 12.953 4.131 0.201 1.00 0.00 H new ATOM 0 HA SER A 7 15.787 3.468 -0.338 1.00 0.00 H new ATOM 0 HB2 SER A 7 14.378 3.398 2.355 1.00 0.00 H new ATOM 0 HB3 SER A 7 16.092 3.204 2.046 1.00 0.00 H new ATOM 0 HG SER A 7 15.041 5.419 2.713 1.00 0.00 H new ATOM 42 N GLN A 8 14.629 1.273 -0.961 1.00 0.00 N ATOM 43 CA GLN A 8 14.365 -0.149 -1.132 1.00 0.00 C ATOM 44 C GLN A 8 15.382 -0.976 -0.364 1.00 0.00 C ATOM 45 O GLN A 8 16.557 -1.037 -0.731 1.00 0.00 O ATOM 46 CB GLN A 8 14.412 -0.528 -2.610 1.00 0.00 C ATOM 47 CG GLN A 8 13.961 -1.949 -2.901 1.00 0.00 C ATOM 48 CD GLN A 8 13.888 -2.231 -4.388 1.00 0.00 C ATOM 49 OE1 GLN A 8 14.853 -2.690 -4.999 1.00 0.00 O ATOM 50 NE2 GLN A 8 12.747 -1.930 -4.985 1.00 0.00 N ATOM 0 H GLN A 8 14.941 1.747 -1.809 1.00 0.00 H new ATOM 0 HA GLN A 8 13.369 -0.357 -0.742 1.00 0.00 H new ATOM 0 HB2 GLN A 8 13.783 0.163 -3.171 1.00 0.00 H new ATOM 0 HB3 GLN A 8 15.431 -0.400 -2.975 1.00 0.00 H new ATOM 0 HG2 GLN A 8 14.651 -2.651 -2.433 1.00 0.00 H new ATOM 0 HG3 GLN A 8 12.982 -2.117 -2.452 1.00 0.00 H new ATOM 0 HE21 GLN A 8 11.971 -1.551 -4.441 1.00 0.00 H new ATOM 0 HE22 GLN A 8 12.643 -2.076 -5.989 1.00 0.00 H new ATOM 59 N LEU A 9 14.926 -1.603 0.699 1.00 0.00 N ATOM 60 CA LEU A 9 15.781 -2.432 1.520 1.00 0.00 C ATOM 61 C LEU A 9 15.725 -3.875 1.053 1.00 0.00 C ATOM 62 O LEU A 9 14.742 -4.566 1.297 1.00 0.00 O ATOM 63 CB LEU A 9 15.347 -2.364 2.987 1.00 0.00 C ATOM 64 CG LEU A 9 15.203 -0.956 3.568 1.00 0.00 C ATOM 65 CD1 LEU A 9 14.683 -1.024 4.995 1.00 0.00 C ATOM 66 CD2 LEU A 9 16.528 -0.212 3.514 1.00 0.00 C ATOM 0 H LEU A 9 13.958 -1.553 1.017 1.00 0.00 H new ATOM 0 HA LEU A 9 16.801 -2.059 1.427 1.00 0.00 H new ATOM 0 HB2 LEU A 9 14.392 -2.879 3.089 1.00 0.00 H new ATOM 0 HB3 LEU A 9 16.072 -2.913 3.588 1.00 0.00 H new ATOM 0 HG LEU A 9 14.482 -0.406 2.963 1.00 0.00 H new ATOM 0 HD11 LEU A 9 14.586 -0.015 5.395 1.00 0.00 H new ATOM 0 HD12 LEU A 9 13.709 -1.514 5.004 1.00 0.00 H new ATOM 0 HD13 LEU A 9 15.381 -1.592 5.610 1.00 0.00 H new ATOM 0 HD21 LEU A 9 16.402 0.787 3.932 1.00 0.00 H new ATOM 0 HD22 LEU A 9 17.275 -0.756 4.093 1.00 0.00 H new ATOM 0 HD23 LEU A 9 16.859 -0.133 2.478 1.00 0.00 H new ATOM 78 N GLY A 10 16.764 -4.324 0.368 1.00 0.00 N ATOM 79 CA GLY A 10 16.883 -5.741 0.051 1.00 0.00 C ATOM 80 C GLY A 10 18.083 -6.408 0.725 1.00 0.00 C ATOM 81 O GLY A 10 18.941 -6.961 0.036 1.00 0.00 O ATOM 0 H GLY A 10 17.527 -3.740 0.025 1.00 0.00 H new ATOM 0 HA2 GLY A 10 15.971 -6.253 0.357 1.00 0.00 H new ATOM 0 HA3 GLY A 10 16.968 -5.860 -1.029 1.00 0.00 H new ATOM 85 N PRO A 11 18.182 -6.386 2.076 1.00 0.00 N ATOM 86 CA PRO A 11 19.292 -7.007 2.795 1.00 0.00 C ATOM 87 C PRO A 11 19.086 -8.508 2.985 1.00 0.00 C ATOM 88 O PRO A 11 20.005 -9.302 2.790 1.00 0.00 O ATOM 89 CB PRO A 11 19.295 -6.295 4.158 1.00 0.00 C ATOM 90 CG PRO A 11 18.163 -5.313 4.118 1.00 0.00 C ATOM 91 CD PRO A 11 17.252 -5.759 3.013 1.00 0.00 C ATOM 0 HA PRO A 11 20.230 -6.907 2.250 1.00 0.00 H new ATOM 0 HB2 PRO A 11 19.163 -7.009 4.971 1.00 0.00 H new ATOM 0 HB3 PRO A 11 20.244 -5.788 4.331 1.00 0.00 H new ATOM 0 HG2 PRO A 11 17.635 -5.291 5.071 1.00 0.00 H new ATOM 0 HG3 PRO A 11 18.531 -4.304 3.934 1.00 0.00 H new ATOM 0 HD2 PRO A 11 16.497 -6.461 3.367 1.00 0.00 H new ATOM 0 HD3 PRO A 11 16.722 -4.921 2.560 1.00 0.00 H new ATOM 99 N ILE A 12 17.873 -8.891 3.360 1.00 0.00 N ATOM 100 CA ILE A 12 17.549 -10.293 3.561 1.00 0.00 C ATOM 101 C ILE A 12 17.094 -10.930 2.256 1.00 0.00 C ATOM 102 O ILE A 12 16.352 -10.331 1.476 1.00 0.00 O ATOM 103 CB ILE A 12 16.476 -10.521 4.660 1.00 0.00 C ATOM 104 CG1 ILE A 12 15.211 -9.676 4.422 1.00 0.00 C ATOM 105 CG2 ILE A 12 17.063 -10.232 6.034 1.00 0.00 C ATOM 106 CD1 ILE A 12 15.342 -8.216 4.815 1.00 0.00 C ATOM 0 H ILE A 12 17.099 -8.249 3.531 1.00 0.00 H new ATOM 0 HA ILE A 12 18.466 -10.771 3.906 1.00 0.00 H new ATOM 0 HB ILE A 12 16.174 -11.567 4.612 1.00 0.00 H new ATOM 0 HG12 ILE A 12 14.946 -9.732 3.366 1.00 0.00 H new ATOM 0 HG13 ILE A 12 14.386 -10.116 4.981 1.00 0.00 H new ATOM 0 HG21 ILE A 12 16.302 -10.395 6.797 1.00 0.00 H new ATOM 0 HG22 ILE A 12 17.907 -10.897 6.216 1.00 0.00 H new ATOM 0 HG23 ILE A 12 17.401 -9.197 6.075 1.00 0.00 H new ATOM 0 HD11 ILE A 12 14.404 -7.699 4.612 1.00 0.00 H new ATOM 0 HD12 ILE A 12 15.573 -8.145 5.878 1.00 0.00 H new ATOM 0 HD13 ILE A 12 16.143 -7.754 4.237 1.00 0.00 H new ATOM 118 N HIS A 13 17.563 -12.143 2.031 1.00 0.00 N ATOM 119 CA HIS A 13 17.339 -12.853 0.777 1.00 0.00 C ATOM 120 C HIS A 13 15.931 -13.482 0.651 1.00 0.00 C ATOM 121 O HIS A 13 15.464 -13.659 -0.478 1.00 0.00 O ATOM 122 CB HIS A 13 18.418 -13.926 0.594 1.00 0.00 C ATOM 123 CG HIS A 13 18.390 -14.594 -0.744 1.00 0.00 C ATOM 124 ND1 HIS A 13 17.858 -15.846 -0.949 1.00 0.00 N ATOM 125 CD2 HIS A 13 18.831 -14.172 -1.951 1.00 0.00 C ATOM 126 CE1 HIS A 13 17.974 -16.169 -2.222 1.00 0.00 C ATOM 127 NE2 HIS A 13 18.561 -15.168 -2.852 1.00 0.00 N ATOM 0 H HIS A 13 18.112 -12.668 2.712 1.00 0.00 H new ATOM 0 HA HIS A 13 17.402 -12.108 -0.016 1.00 0.00 H new ATOM 0 HB2 HIS A 13 19.397 -13.471 0.741 1.00 0.00 H new ATOM 0 HB3 HIS A 13 18.299 -14.683 1.369 1.00 0.00 H new ATOM 0 HD2 HIS A 13 19.307 -13.226 -2.165 1.00 0.00 H new ATOM 0 HE1 HIS A 13 17.645 -17.094 -2.672 1.00 0.00 H new ATOM 0 HE2 HIS A 13 18.778 -15.141 -3.848 1.00 0.00 H new ATOM 136 N PRO A 14 15.259 -13.898 1.772 1.00 0.00 N ATOM 137 CA PRO A 14 13.861 -14.369 1.762 1.00 0.00 C ATOM 138 C PRO A 14 12.933 -13.647 0.776 1.00 0.00 C ATOM 139 O PRO A 14 13.245 -12.569 0.273 1.00 0.00 O ATOM 140 CB PRO A 14 13.405 -14.063 3.188 1.00 0.00 C ATOM 141 CG PRO A 14 14.624 -14.191 4.033 1.00 0.00 C ATOM 142 CD PRO A 14 15.825 -14.045 3.128 1.00 0.00 C ATOM 0 HA PRO A 14 13.814 -15.412 1.449 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.983 -13.061 3.258 1.00 0.00 H new ATOM 0 HB3 PRO A 14 12.630 -14.759 3.510 1.00 0.00 H new ATOM 0 HG2 PRO A 14 14.634 -13.426 4.809 1.00 0.00 H new ATOM 0 HG3 PRO A 14 14.640 -15.157 4.538 1.00 0.00 H new ATOM 0 HD2 PRO A 14 16.424 -13.177 3.403 1.00 0.00 H new ATOM 0 HD3 PRO A 14 16.477 -14.916 3.192 1.00 0.00 H new ATOM 150 N PRO A 15 11.758 -14.242 0.494 1.00 0.00 N ATOM 151 CA PRO A 15 10.709 -13.604 -0.313 1.00 0.00 C ATOM 152 C PRO A 15 10.353 -12.214 0.223 1.00 0.00 C ATOM 153 O PRO A 15 10.626 -11.897 1.387 1.00 0.00 O ATOM 154 CB PRO A 15 9.510 -14.559 -0.172 1.00 0.00 C ATOM 155 CG PRO A 15 9.869 -15.503 0.926 1.00 0.00 C ATOM 156 CD PRO A 15 11.364 -15.587 0.928 1.00 0.00 C ATOM 0 HA PRO A 15 11.019 -13.450 -1.347 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.599 -14.010 0.066 1.00 0.00 H new ATOM 0 HB3 PRO A 15 9.325 -15.095 -1.103 1.00 0.00 H new ATOM 0 HG2 PRO A 15 9.497 -15.144 1.886 1.00 0.00 H new ATOM 0 HG3 PRO A 15 9.424 -16.484 0.758 1.00 0.00 H new ATOM 0 HD2 PRO A 15 11.756 -15.825 1.917 1.00 0.00 H new ATOM 0 HD3 PRO A 15 11.728 -16.356 0.247 1.00 0.00 H new ATOM 164 N PRO A 16 9.720 -11.361 -0.613 1.00 0.00 N ATOM 165 CA PRO A 16 9.472 -9.946 -0.284 1.00 0.00 C ATOM 166 C PRO A 16 8.546 -9.739 0.913 1.00 0.00 C ATOM 167 O PRO A 16 8.200 -8.606 1.239 1.00 0.00 O ATOM 168 CB PRO A 16 8.817 -9.391 -1.552 1.00 0.00 C ATOM 169 CG PRO A 16 8.233 -10.577 -2.221 1.00 0.00 C ATOM 170 CD PRO A 16 9.184 -11.704 -1.945 1.00 0.00 C ATOM 0 HA PRO A 16 10.400 -9.451 0.003 1.00 0.00 H new ATOM 0 HB2 PRO A 16 8.051 -8.654 -1.312 1.00 0.00 H new ATOM 0 HB3 PRO A 16 9.548 -8.895 -2.191 1.00 0.00 H new ATOM 0 HG2 PRO A 16 7.240 -10.798 -1.831 1.00 0.00 H new ATOM 0 HG3 PRO A 16 8.124 -10.409 -3.292 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.677 -12.669 -1.941 1.00 0.00 H new ATOM 0 HD3 PRO A 16 9.972 -11.761 -2.696 1.00 0.00 H new ATOM 178 N ARG A 17 8.147 -10.836 1.554 1.00 0.00 N ATOM 179 CA ARG A 17 7.293 -10.786 2.737 1.00 0.00 C ATOM 180 C ARG A 17 7.957 -9.962 3.835 1.00 0.00 C ATOM 181 O ARG A 17 7.285 -9.341 4.657 1.00 0.00 O ATOM 182 CB ARG A 17 7.010 -12.206 3.242 1.00 0.00 C ATOM 183 CG ARG A 17 8.255 -12.946 3.706 1.00 0.00 C ATOM 184 CD ARG A 17 7.953 -14.386 4.089 1.00 0.00 C ATOM 185 NE ARG A 17 8.523 -14.740 5.386 1.00 0.00 N ATOM 186 CZ ARG A 17 8.782 -15.990 5.773 1.00 0.00 C ATOM 187 NH1 ARG A 17 8.501 -17.009 4.968 1.00 0.00 N ATOM 188 NH2 ARG A 17 9.301 -16.219 6.971 1.00 0.00 N ATOM 0 H ARG A 17 8.406 -11.780 1.269 1.00 0.00 H new ATOM 0 HA ARG A 17 6.349 -10.312 2.467 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.299 -12.154 4.067 1.00 0.00 H new ATOM 0 HB3 ARG A 17 6.533 -12.778 2.446 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.002 -12.931 2.913 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.688 -12.427 4.561 1.00 0.00 H new ATOM 0 HD2 ARG A 17 6.874 -14.535 4.115 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.349 -15.055 3.325 1.00 0.00 H new ATOM 0 HE ARG A 17 8.736 -13.984 6.037 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.086 -16.836 4.052 1.00 0.00 H new ATOM 0 HH12 ARG A 17 8.700 -17.964 5.266 1.00 0.00 H new ATOM 0 HH21 ARG A 17 9.502 -15.439 7.597 1.00 0.00 H new ATOM 0 HH22 ARG A 17 9.499 -17.175 7.267 1.00 0.00 H new ATOM 202 N THR A 18 9.281 -9.970 3.834 1.00 0.00 N ATOM 203 CA THR A 18 10.053 -9.187 4.777 1.00 0.00 C ATOM 204 C THR A 18 11.367 -8.740 4.141 1.00 0.00 C ATOM 205 O THR A 18 12.200 -8.109 4.790 1.00 0.00 O ATOM 206 CB THR A 18 10.343 -10.001 6.058 1.00 0.00 C ATOM 207 OG1 THR A 18 10.975 -9.173 7.043 1.00 0.00 O ATOM 208 CG2 THR A 18 11.233 -11.201 5.751 1.00 0.00 C ATOM 0 H THR A 18 9.844 -10.517 3.183 1.00 0.00 H new ATOM 0 HA THR A 18 9.468 -8.308 5.048 1.00 0.00 H new ATOM 0 HB THR A 18 9.392 -10.362 6.448 1.00 0.00 H new ATOM 0 HG1 THR A 18 11.554 -8.519 6.598 1.00 0.00 H new ATOM 0 HG21 THR A 18 11.423 -11.758 6.669 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.734 -11.849 5.030 1.00 0.00 H new ATOM 0 HG23 THR A 18 12.179 -10.855 5.334 1.00 0.00 H new ATOM 216 N SER A 19 11.535 -9.060 2.860 1.00 0.00 N ATOM 217 CA SER A 19 12.777 -8.778 2.157 1.00 0.00 C ATOM 218 C SER A 19 12.799 -7.354 1.621 1.00 0.00 C ATOM 219 O SER A 19 13.116 -6.424 2.361 1.00 0.00 O ATOM 220 CB SER A 19 12.990 -9.788 1.025 1.00 0.00 C ATOM 221 OG SER A 19 14.143 -9.488 0.255 1.00 0.00 O ATOM 0 H SER A 19 10.823 -9.516 2.289 1.00 0.00 H new ATOM 0 HA SER A 19 13.597 -8.875 2.869 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.085 -10.789 1.446 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.114 -9.797 0.377 1.00 0.00 H new ATOM 0 HG SER A 19 14.912 -9.979 0.612 1.00 0.00 H new ATOM 227 N MET A 20 12.442 -7.194 0.346 1.00 0.00 N ATOM 228 CA MET A 20 12.483 -5.897 -0.312 1.00 0.00 C ATOM 229 C MET A 20 11.436 -4.954 0.261 1.00 0.00 C ATOM 230 O MET A 20 10.358 -4.767 -0.304 1.00 0.00 O ATOM 231 CB MET A 20 12.302 -6.046 -1.829 1.00 0.00 C ATOM 232 CG MET A 20 11.106 -6.897 -2.225 1.00 0.00 C ATOM 233 SD MET A 20 10.707 -6.778 -3.982 1.00 0.00 S ATOM 234 CE MET A 20 12.230 -7.370 -4.717 1.00 0.00 C ATOM 0 H MET A 20 12.120 -7.955 -0.251 1.00 0.00 H new ATOM 0 HA MET A 20 13.465 -5.463 -0.124 1.00 0.00 H new ATOM 0 HB2 MET A 20 12.193 -5.056 -2.271 1.00 0.00 H new ATOM 0 HB3 MET A 20 13.205 -6.487 -2.251 1.00 0.00 H new ATOM 0 HG2 MET A 20 11.309 -7.938 -1.974 1.00 0.00 H new ATOM 0 HG3 MET A 20 10.239 -6.591 -1.640 1.00 0.00 H new ATOM 0 HE1 MET A 20 12.077 -7.541 -5.783 1.00 0.00 H new ATOM 0 HE2 MET A 20 13.014 -6.626 -4.578 1.00 0.00 H new ATOM 0 HE3 MET A 20 12.526 -8.303 -4.238 1.00 0.00 H new ATOM 244 N THR A 21 11.759 -4.372 1.397 1.00 0.00 N ATOM 245 CA THR A 21 10.923 -3.370 1.999 1.00 0.00 C ATOM 246 C THR A 21 11.163 -2.052 1.293 1.00 0.00 C ATOM 247 O THR A 21 12.263 -1.511 1.340 1.00 0.00 O ATOM 248 CB THR A 21 11.223 -3.214 3.504 1.00 0.00 C ATOM 249 OG1 THR A 21 11.026 -4.470 4.173 1.00 0.00 O ATOM 250 CG2 THR A 21 10.337 -2.147 4.135 1.00 0.00 C ATOM 0 H THR A 21 12.607 -4.583 1.923 1.00 0.00 H new ATOM 0 HA THR A 21 9.882 -3.676 1.898 1.00 0.00 H new ATOM 0 HB THR A 21 12.261 -2.901 3.613 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.219 -4.366 5.128 1.00 0.00 H new ATOM 0 HG21 THR A 21 10.572 -2.060 5.196 1.00 0.00 H new ATOM 0 HG22 THR A 21 10.514 -1.190 3.644 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.290 -2.427 4.017 1.00 0.00 H new ATOM 258 N GLU A 22 10.149 -1.534 0.642 1.00 0.00 N ATOM 259 CA GLU A 22 10.301 -0.304 -0.098 1.00 0.00 C ATOM 260 C GLU A 22 9.940 0.847 0.814 1.00 0.00 C ATOM 261 O GLU A 22 8.810 0.922 1.304 1.00 0.00 O ATOM 262 CB GLU A 22 9.385 -0.309 -1.326 1.00 0.00 C ATOM 263 CG GLU A 22 9.591 0.870 -2.266 1.00 0.00 C ATOM 264 CD GLU A 22 10.898 0.781 -3.030 1.00 0.00 C ATOM 265 OE1 GLU A 22 10.971 -0.011 -3.997 1.00 0.00 O ATOM 266 OE2 GLU A 22 11.852 1.503 -2.674 1.00 0.00 O ATOM 0 H GLU A 22 9.215 -1.942 0.609 1.00 0.00 H new ATOM 0 HA GLU A 22 11.330 -0.201 -0.441 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.546 -1.233 -1.881 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.348 -0.315 -0.991 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.763 0.916 -2.973 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.572 1.796 -1.692 1.00 0.00 H new ATOM 273 N GLU A 23 10.898 1.718 1.074 1.00 0.00 N ATOM 274 CA GLU A 23 10.644 2.865 1.918 1.00 0.00 C ATOM 275 C GLU A 23 10.121 4.001 1.067 1.00 0.00 C ATOM 276 O GLU A 23 10.872 4.658 0.339 1.00 0.00 O ATOM 277 CB GLU A 23 11.901 3.285 2.676 1.00 0.00 C ATOM 278 CG GLU A 23 11.682 4.460 3.615 1.00 0.00 C ATOM 279 CD GLU A 23 12.925 4.823 4.399 1.00 0.00 C ATOM 280 OE1 GLU A 23 13.768 5.578 3.875 1.00 0.00 O ATOM 281 OE2 GLU A 23 13.067 4.348 5.545 1.00 0.00 O ATOM 0 H GLU A 23 11.851 1.652 0.715 1.00 0.00 H new ATOM 0 HA GLU A 23 9.895 2.598 2.663 1.00 0.00 H new ATOM 0 HB2 GLU A 23 12.269 2.435 3.251 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.678 3.545 1.958 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.357 5.325 3.037 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.877 4.219 4.310 1.00 0.00 H new ATOM 288 N TYR A 24 8.827 4.221 1.156 1.00 0.00 N ATOM 289 CA TYR A 24 8.178 5.229 0.359 1.00 0.00 C ATOM 290 C TYR A 24 8.143 6.549 1.093 1.00 0.00 C ATOM 291 O TYR A 24 7.450 6.699 2.100 1.00 0.00 O ATOM 292 CB TYR A 24 6.758 4.794 -0.015 1.00 0.00 C ATOM 293 CG TYR A 24 6.616 4.415 -1.467 1.00 0.00 C ATOM 294 CD1 TYR A 24 6.933 3.140 -1.909 1.00 0.00 C ATOM 295 CD2 TYR A 24 6.165 5.341 -2.397 1.00 0.00 C ATOM 296 CE1 TYR A 24 6.806 2.796 -3.240 1.00 0.00 C ATOM 297 CE2 TYR A 24 6.035 5.006 -3.728 1.00 0.00 C ATOM 298 CZ TYR A 24 6.356 3.731 -4.147 1.00 0.00 C ATOM 299 OH TYR A 24 6.228 3.385 -5.472 1.00 0.00 O ATOM 0 H TYR A 24 8.203 3.708 1.779 1.00 0.00 H new ATOM 0 HA TYR A 24 8.754 5.356 -0.558 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.470 3.945 0.605 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.065 5.604 0.212 1.00 0.00 H new ATOM 0 HD1 TYR A 24 7.285 2.404 -1.201 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.912 6.340 -2.073 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.058 1.799 -3.569 1.00 0.00 H new ATOM 0 HE2 TYR A 24 5.683 5.738 -4.440 1.00 0.00 H new ATOM 0 HH TYR A 24 6.482 4.146 -6.035 1.00 0.00 H new ATOM 309 N ARG A 25 8.919 7.495 0.591 1.00 0.00 N ATOM 310 CA ARG A 25 8.867 8.855 1.080 1.00 0.00 C ATOM 311 C ARG A 25 7.689 9.558 0.450 1.00 0.00 C ATOM 312 O ARG A 25 7.717 9.911 -0.733 1.00 0.00 O ATOM 313 CB ARG A 25 10.152 9.614 0.760 1.00 0.00 C ATOM 314 CG ARG A 25 11.302 9.300 1.696 1.00 0.00 C ATOM 315 CD ARG A 25 12.472 10.235 1.452 1.00 0.00 C ATOM 316 NE ARG A 25 12.073 11.633 1.591 1.00 0.00 N ATOM 317 CZ ARG A 25 12.785 12.668 1.154 1.00 0.00 C ATOM 318 NH1 ARG A 25 13.938 12.479 0.524 1.00 0.00 N ATOM 319 NH2 ARG A 25 12.323 13.893 1.333 1.00 0.00 N ATOM 0 H ARG A 25 9.594 7.341 -0.158 1.00 0.00 H new ATOM 0 HA ARG A 25 8.757 8.830 2.164 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.454 9.382 -0.261 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.949 10.684 0.797 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.969 9.390 2.730 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.621 8.268 1.553 1.00 0.00 H new ATOM 0 HD2 ARG A 25 13.272 10.011 2.158 1.00 0.00 H new ATOM 0 HD3 ARG A 25 12.872 10.067 0.452 1.00 0.00 H new ATOM 0 HE ARG A 25 11.186 11.829 2.056 1.00 0.00 H new ATOM 0 HH11 ARG A 25 14.286 11.533 0.371 1.00 0.00 H new ATOM 0 HH12 ARG A 25 14.476 13.280 0.193 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.429 14.037 1.802 1.00 0.00 H new ATOM 0 HH22 ARG A 25 12.861 14.694 1.002 1.00 0.00 H new ATOM 333 N VAL A 26 6.646 9.710 1.230 1.00 0.00 N ATOM 334 CA VAL A 26 5.426 10.316 0.763 1.00 0.00 C ATOM 335 C VAL A 26 5.075 11.523 1.616 1.00 0.00 C ATOM 336 O VAL A 26 5.025 11.444 2.843 1.00 0.00 O ATOM 337 CB VAL A 26 4.267 9.293 0.752 1.00 0.00 C ATOM 338 CG1 VAL A 26 4.340 8.372 1.957 1.00 0.00 C ATOM 339 CG2 VAL A 26 2.922 9.998 0.703 1.00 0.00 C ATOM 0 H VAL A 26 6.621 9.416 2.207 1.00 0.00 H new ATOM 0 HA VAL A 26 5.582 10.652 -0.262 1.00 0.00 H new ATOM 0 HB VAL A 26 4.369 8.685 -0.147 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.513 7.663 1.924 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.285 7.829 1.943 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.275 8.963 2.871 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.123 9.257 0.696 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.815 10.639 1.578 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.862 10.605 -0.201 1.00 0.00 H new ATOM 349 N PRO A 27 4.842 12.663 0.964 1.00 0.00 N ATOM 350 CA PRO A 27 4.516 13.913 1.645 1.00 0.00 C ATOM 351 C PRO A 27 3.288 13.768 2.541 1.00 0.00 C ATOM 352 O PRO A 27 2.320 13.107 2.165 1.00 0.00 O ATOM 353 CB PRO A 27 4.242 14.883 0.491 1.00 0.00 C ATOM 354 CG PRO A 27 4.982 14.307 -0.665 1.00 0.00 C ATOM 355 CD PRO A 27 4.873 12.823 -0.499 1.00 0.00 C ATOM 0 HA PRO A 27 5.313 14.247 2.309 1.00 0.00 H new ATOM 0 HB2 PRO A 27 3.175 14.959 0.281 1.00 0.00 H new ATOM 0 HB3 PRO A 27 4.593 15.888 0.726 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.548 14.631 -1.611 1.00 0.00 H new ATOM 0 HG3 PRO A 27 6.024 14.628 -0.666 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.972 12.428 -0.969 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.720 12.302 -0.946 1.00 0.00 H new ATOM 363 N ASP A 28 3.350 14.374 3.722 1.00 0.00 N ATOM 364 CA ASP A 28 2.327 14.205 4.763 1.00 0.00 C ATOM 365 C ASP A 28 0.897 14.316 4.216 1.00 0.00 C ATOM 366 O ASP A 28 0.089 13.388 4.367 1.00 0.00 O ATOM 367 CB ASP A 28 2.554 15.237 5.870 1.00 0.00 C ATOM 368 CG ASP A 28 1.514 15.160 6.971 1.00 0.00 C ATOM 369 OD1 ASP A 28 0.464 15.830 6.857 1.00 0.00 O ATOM 370 OD2 ASP A 28 1.750 14.439 7.964 1.00 0.00 O ATOM 0 H ASP A 28 4.110 14.999 3.991 1.00 0.00 H new ATOM 0 HA ASP A 28 2.429 13.196 5.163 1.00 0.00 H new ATOM 0 HB2 ASP A 28 3.544 15.088 6.301 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.543 16.237 5.436 1.00 0.00 H new ATOM 375 N GLY A 29 0.598 15.429 3.554 1.00 0.00 N ATOM 376 CA GLY A 29 -0.743 15.650 3.024 1.00 0.00 C ATOM 377 C GLY A 29 -1.093 14.686 1.905 1.00 0.00 C ATOM 378 O GLY A 29 -2.268 14.382 1.660 1.00 0.00 O ATOM 0 H GLY A 29 1.258 16.185 3.373 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.470 15.546 3.829 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.820 16.673 2.655 1.00 0.00 H new ATOM 382 N MET A 30 -0.071 14.167 1.249 1.00 0.00 N ATOM 383 CA MET A 30 -0.275 13.249 0.146 1.00 0.00 C ATOM 384 C MET A 30 -0.597 11.862 0.691 1.00 0.00 C ATOM 385 O MET A 30 -1.149 11.017 -0.008 1.00 0.00 O ATOM 386 CB MET A 30 0.959 13.224 -0.758 1.00 0.00 C ATOM 387 CG MET A 30 0.733 12.527 -2.086 1.00 0.00 C ATOM 388 SD MET A 30 -0.753 13.103 -2.938 1.00 0.00 S ATOM 389 CE MET A 30 -0.490 14.875 -2.986 1.00 0.00 C ATOM 0 H MET A 30 0.907 14.366 1.461 1.00 0.00 H new ATOM 0 HA MET A 30 -1.118 13.584 -0.458 1.00 0.00 H new ATOM 0 HB2 MET A 30 1.280 14.248 -0.946 1.00 0.00 H new ATOM 0 HB3 MET A 30 1.773 12.726 -0.231 1.00 0.00 H new ATOM 0 HG2 MET A 30 1.599 12.689 -2.728 1.00 0.00 H new ATOM 0 HG3 MET A 30 0.656 11.453 -1.918 1.00 0.00 H new ATOM 0 HE1 MET A 30 -1.158 15.361 -2.275 1.00 0.00 H new ATOM 0 HE2 MET A 30 0.544 15.097 -2.722 1.00 0.00 H new ATOM 0 HE3 MET A 30 -0.696 15.246 -3.990 1.00 0.00 H new ATOM 399 N VAL A 31 -0.263 11.639 1.958 1.00 0.00 N ATOM 400 CA VAL A 31 -0.737 10.461 2.669 1.00 0.00 C ATOM 401 C VAL A 31 -2.214 10.624 2.987 1.00 0.00 C ATOM 402 O VAL A 31 -2.974 9.656 2.984 1.00 0.00 O ATOM 403 CB VAL A 31 0.078 10.176 3.951 1.00 0.00 C ATOM 404 CG1 VAL A 31 -0.780 9.540 5.039 1.00 0.00 C ATOM 405 CG2 VAL A 31 1.241 9.263 3.611 1.00 0.00 C ATOM 0 H VAL A 31 0.332 12.257 2.510 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.597 9.597 2.020 1.00 0.00 H new ATOM 0 HB VAL A 31 0.446 11.126 4.338 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.169 9.356 5.923 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.598 10.213 5.297 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.187 8.596 4.676 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.819 9.059 4.512 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.861 8.326 3.204 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.880 9.747 2.872 1.00 0.00 H new ATOM 415 N GLY A 32 -2.627 11.858 3.233 1.00 0.00 N ATOM 416 CA GLY A 32 -4.045 12.139 3.321 1.00 0.00 C ATOM 417 C GLY A 32 -4.765 11.698 2.057 1.00 0.00 C ATOM 418 O GLY A 32 -5.931 11.313 2.094 1.00 0.00 O ATOM 0 H GLY A 32 -2.014 12.662 3.372 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.469 11.625 4.184 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.199 13.206 3.478 1.00 0.00 H new ATOM 422 N LEU A 33 -4.054 11.739 0.935 1.00 0.00 N ATOM 423 CA LEU A 33 -4.597 11.249 -0.328 1.00 0.00 C ATOM 424 C LEU A 33 -4.352 9.749 -0.554 1.00 0.00 C ATOM 425 O LEU A 33 -5.089 9.125 -1.314 1.00 0.00 O ATOM 426 CB LEU A 33 -4.052 12.058 -1.507 1.00 0.00 C ATOM 427 CG LEU A 33 -4.771 13.384 -1.769 1.00 0.00 C ATOM 428 CD1 LEU A 33 -4.098 14.149 -2.897 1.00 0.00 C ATOM 429 CD2 LEU A 33 -6.237 13.138 -2.100 1.00 0.00 C ATOM 0 H LEU A 33 -3.104 12.105 0.874 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.677 11.385 -0.265 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.996 12.263 -1.330 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.111 11.446 -2.407 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.713 13.987 -0.863 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.626 15.088 -3.066 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.063 14.358 -2.628 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.122 13.551 -3.808 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.733 14.091 -2.283 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.309 12.514 -2.991 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.719 12.633 -1.263 1.00 0.00 H new ATOM 441 N ILE A 34 -3.340 9.154 0.086 1.00 0.00 N ATOM 442 CA ILE A 34 -3.102 7.713 -0.088 1.00 0.00 C ATOM 443 C ILE A 34 -4.195 6.923 0.623 1.00 0.00 C ATOM 444 O ILE A 34 -4.546 5.811 0.226 1.00 0.00 O ATOM 445 CB ILE A 34 -1.698 7.247 0.402 1.00 0.00 C ATOM 446 CG1 ILE A 34 -1.412 5.811 -0.052 1.00 0.00 C ATOM 447 CG2 ILE A 34 -1.580 7.319 1.915 1.00 0.00 C ATOM 448 CD1 ILE A 34 -1.600 5.588 -1.540 1.00 0.00 C ATOM 0 H ILE A 34 -2.689 9.628 0.712 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.128 7.519 -1.160 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.967 7.924 -0.040 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.388 5.552 0.218 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.067 5.131 0.493 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.587 6.986 2.219 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.735 8.347 2.244 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.333 6.676 2.370 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.379 4.549 -1.783 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.631 5.814 -1.814 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.926 6.241 -2.094 1.00 0.00 H new ATOM 460 N ILE A 35 -4.745 7.520 1.672 1.00 0.00 N ATOM 461 CA ILE A 35 -5.896 6.953 2.343 1.00 0.00 C ATOM 462 C ILE A 35 -7.179 7.389 1.651 1.00 0.00 C ATOM 463 O ILE A 35 -8.245 6.822 1.901 1.00 0.00 O ATOM 464 CB ILE A 35 -5.955 7.339 3.831 1.00 0.00 C ATOM 465 CG1 ILE A 35 -5.749 8.843 4.017 1.00 0.00 C ATOM 466 CG2 ILE A 35 -4.933 6.538 4.619 1.00 0.00 C ATOM 467 CD1 ILE A 35 -5.804 9.295 5.460 1.00 0.00 C ATOM 0 H ILE A 35 -4.409 8.396 2.073 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.795 5.869 2.286 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.947 7.099 4.214 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.783 9.123 3.595 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.511 9.377 3.450 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.983 6.819 5.671 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.147 5.474 4.517 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.934 6.745 4.235 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.649 10.373 5.510 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.778 9.048 5.882 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.024 8.790 6.030 1.00 0.00 H new ATOM 479 N GLY A 36 -7.058 8.419 0.807 1.00 0.00 N ATOM 480 CA GLY A 36 -8.154 8.878 -0.037 1.00 0.00 C ATOM 481 C GLY A 36 -9.388 9.289 0.738 1.00 0.00 C ATOM 482 O GLY A 36 -9.537 10.447 1.130 1.00 0.00 O ATOM 0 H GLY A 36 -6.197 8.954 0.694 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.812 9.724 -0.633 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.421 8.084 -0.734 1.00 0.00 H new ATOM 486 N ARG A 37 -10.256 8.317 0.971 1.00 0.00 N ATOM 487 CA ARG A 37 -11.511 8.525 1.683 1.00 0.00 C ATOM 488 C ARG A 37 -11.293 8.761 3.177 1.00 0.00 C ATOM 489 O ARG A 37 -12.238 8.726 3.963 1.00 0.00 O ATOM 490 CB ARG A 37 -12.412 7.312 1.475 1.00 0.00 C ATOM 491 CG ARG A 37 -11.690 5.987 1.682 1.00 0.00 C ATOM 492 CD ARG A 37 -12.616 4.807 1.440 1.00 0.00 C ATOM 493 NE ARG A 37 -13.032 4.712 0.041 1.00 0.00 N ATOM 494 CZ ARG A 37 -13.895 3.804 -0.420 1.00 0.00 C ATOM 495 NH1 ARG A 37 -14.462 2.934 0.407 1.00 0.00 N ATOM 496 NH2 ARG A 37 -14.212 3.786 -1.707 1.00 0.00 N ATOM 0 H ARG A 37 -10.110 7.354 0.670 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.983 9.421 1.280 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -13.255 7.371 2.164 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -12.823 7.341 0.466 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.837 5.926 1.006 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.296 5.940 2.697 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -12.112 3.885 1.731 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -13.497 4.902 2.074 1.00 0.00 H new ATOM 0 HE ARG A 37 -12.639 5.380 -0.622 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -14.239 2.956 1.402 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -15.121 2.243 0.047 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -13.797 4.466 -2.344 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -14.871 3.093 -2.060 1.00 0.00 H new ATOM 510 N GLY A 38 -10.049 8.987 3.564 1.00 0.00 N ATOM 511 CA GLY A 38 -9.751 9.312 4.940 1.00 0.00 C ATOM 512 C GLY A 38 -9.219 8.133 5.727 1.00 0.00 C ATOM 513 O GLY A 38 -9.192 8.168 6.957 1.00 0.00 O ATOM 0 H GLY A 38 -9.238 8.951 2.947 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.019 10.119 4.966 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.654 9.686 5.423 1.00 0.00 H new ATOM 517 N GLY A 39 -8.812 7.078 5.030 1.00 0.00 N ATOM 518 CA GLY A 39 -8.166 5.965 5.703 1.00 0.00 C ATOM 519 C GLY A 39 -8.489 4.620 5.087 1.00 0.00 C ATOM 520 O GLY A 39 -7.599 3.814 4.835 1.00 0.00 O ATOM 0 H GLY A 39 -8.916 6.973 4.021 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.087 6.115 5.683 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.468 5.959 6.750 1.00 0.00 H new ATOM 524 N GLU A 40 -9.765 4.396 4.816 1.00 0.00 N ATOM 525 CA GLU A 40 -10.258 3.082 4.407 1.00 0.00 C ATOM 526 C GLU A 40 -9.651 2.594 3.083 1.00 0.00 C ATOM 527 O GLU A 40 -9.616 1.391 2.820 1.00 0.00 O ATOM 528 CB GLU A 40 -11.785 3.124 4.308 1.00 0.00 C ATOM 529 CG GLU A 40 -12.429 1.755 4.223 1.00 0.00 C ATOM 530 CD GLU A 40 -12.043 0.876 5.392 1.00 0.00 C ATOM 531 OE1 GLU A 40 -12.597 1.064 6.495 1.00 0.00 O ATOM 532 OE2 GLU A 40 -11.168 0.008 5.219 1.00 0.00 O ATOM 0 H GLU A 40 -10.488 5.113 4.872 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.946 2.366 5.168 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.182 3.649 5.177 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.067 3.703 3.429 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.513 1.865 4.194 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.133 1.272 3.292 1.00 0.00 H new ATOM 539 N GLN A 41 -9.156 3.512 2.259 1.00 0.00 N ATOM 540 CA GLN A 41 -8.665 3.142 0.936 1.00 0.00 C ATOM 541 C GLN A 41 -7.448 2.226 1.032 1.00 0.00 C ATOM 542 O GLN A 41 -7.401 1.190 0.373 1.00 0.00 O ATOM 543 CB GLN A 41 -8.310 4.373 0.111 1.00 0.00 C ATOM 544 CG GLN A 41 -8.092 4.067 -1.360 1.00 0.00 C ATOM 545 CD GLN A 41 -7.659 5.285 -2.143 1.00 0.00 C ATOM 546 OE1 GLN A 41 -8.486 6.026 -2.674 1.00 0.00 O ATOM 547 NE2 GLN A 41 -6.359 5.499 -2.215 1.00 0.00 N ATOM 0 H GLN A 41 -9.084 4.505 2.480 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.472 2.605 0.438 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.108 5.109 0.208 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.407 4.827 0.518 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.336 3.288 -1.458 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.014 3.673 -1.787 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.710 4.857 -1.759 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.003 6.306 -2.727 1.00 0.00 H new ATOM 556 N ILE A 42 -6.471 2.596 1.860 1.00 0.00 N ATOM 557 CA ILE A 42 -5.250 1.807 1.973 1.00 0.00 C ATOM 558 C ILE A 42 -5.567 0.405 2.472 1.00 0.00 C ATOM 559 O ILE A 42 -5.039 -0.571 1.944 1.00 0.00 O ATOM 560 CB ILE A 42 -4.185 2.467 2.885 1.00 0.00 C ATOM 561 CG1 ILE A 42 -2.928 1.595 2.961 1.00 0.00 C ATOM 562 CG2 ILE A 42 -4.728 2.742 4.281 1.00 0.00 C ATOM 563 CD1 ILE A 42 -2.167 1.516 1.653 1.00 0.00 C ATOM 0 H ILE A 42 -6.502 3.425 2.453 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.822 1.753 0.972 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.922 3.427 2.440 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.268 1.990 3.733 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.212 0.588 3.268 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.951 3.205 4.889 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.584 3.414 4.213 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -5.039 1.804 4.742 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.289 0.882 1.780 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.811 1.093 0.882 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.852 2.516 1.354 1.00 0.00 H new ATOM 575 N ASN A 43 -6.456 0.319 3.462 1.00 0.00 N ATOM 576 CA ASN A 43 -6.895 -0.966 4.001 1.00 0.00 C ATOM 577 C ASN A 43 -7.370 -1.853 2.868 1.00 0.00 C ATOM 578 O ASN A 43 -6.905 -2.974 2.704 1.00 0.00 O ATOM 579 CB ASN A 43 -8.049 -0.780 4.991 1.00 0.00 C ATOM 580 CG ASN A 43 -7.725 0.168 6.125 1.00 0.00 C ATOM 581 OD1 ASN A 43 -6.578 0.277 6.563 1.00 0.00 O ATOM 582 ND2 ASN A 43 -8.744 0.855 6.613 1.00 0.00 N ATOM 0 H ASN A 43 -6.887 1.129 3.908 1.00 0.00 H new ATOM 0 HA ASN A 43 -6.052 -1.423 4.519 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.921 -0.407 4.454 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.321 -1.750 5.406 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -8.597 1.507 7.383 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -9.677 0.733 6.219 1.00 0.00 H new ATOM 589 N LYS A 44 -8.276 -1.306 2.073 1.00 0.00 N ATOM 590 CA LYS A 44 -8.851 -2.008 0.942 1.00 0.00 C ATOM 591 C LYS A 44 -7.767 -2.478 -0.021 1.00 0.00 C ATOM 592 O LYS A 44 -7.735 -3.642 -0.413 1.00 0.00 O ATOM 593 CB LYS A 44 -9.826 -1.079 0.218 1.00 0.00 C ATOM 594 CG LYS A 44 -10.630 -1.756 -0.878 1.00 0.00 C ATOM 595 CD LYS A 44 -11.696 -0.829 -1.433 1.00 0.00 C ATOM 596 CE LYS A 44 -12.644 -0.348 -0.342 1.00 0.00 C ATOM 597 NZ LYS A 44 -13.340 -1.473 0.341 1.00 0.00 N ATOM 0 H LYS A 44 -8.633 -0.359 2.197 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.379 -2.888 1.308 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.514 -0.652 0.948 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.267 -0.250 -0.216 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.963 -2.068 -1.681 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.099 -2.658 -0.484 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.221 0.030 -1.908 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -12.263 -1.347 -2.206 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.084 0.229 0.394 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -13.384 0.323 -0.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.059 -1.094 0.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.800 -2.079 -0.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.649 -2.033 0.879 1.00 0.00 H new ATOM 611 N ILE A 45 -6.867 -1.569 -0.372 1.00 0.00 N ATOM 612 CA ILE A 45 -5.824 -1.842 -1.355 1.00 0.00 C ATOM 613 C ILE A 45 -4.886 -2.958 -0.904 1.00 0.00 C ATOM 614 O ILE A 45 -4.608 -3.900 -1.656 1.00 0.00 O ATOM 615 CB ILE A 45 -4.995 -0.581 -1.648 1.00 0.00 C ATOM 616 CG1 ILE A 45 -5.892 0.504 -2.232 1.00 0.00 C ATOM 617 CG2 ILE A 45 -3.842 -0.894 -2.597 1.00 0.00 C ATOM 618 CD1 ILE A 45 -6.764 0.030 -3.374 1.00 0.00 C ATOM 0 H ILE A 45 -6.838 -0.625 0.014 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.336 -2.164 -2.262 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.568 -0.221 -0.712 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.529 0.899 -1.441 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.269 1.328 -2.581 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.271 0.015 -2.788 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.192 -1.643 -2.145 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.238 -1.278 -3.537 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.373 0.859 -3.735 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.134 -0.338 -4.184 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.414 -0.773 -3.026 1.00 0.00 H new ATOM 630 N GLN A 46 -4.397 -2.852 0.319 1.00 0.00 N ATOM 631 CA GLN A 46 -3.397 -3.784 0.808 1.00 0.00 C ATOM 632 C GLN A 46 -4.033 -5.107 1.243 1.00 0.00 C ATOM 633 O GLN A 46 -3.398 -6.158 1.171 1.00 0.00 O ATOM 634 CB GLN A 46 -2.587 -3.149 1.941 1.00 0.00 C ATOM 635 CG GLN A 46 -3.413 -2.648 3.116 1.00 0.00 C ATOM 636 CD GLN A 46 -3.252 -3.499 4.361 1.00 0.00 C ATOM 637 OE1 GLN A 46 -3.103 -4.718 4.287 1.00 0.00 O ATOM 638 NE2 GLN A 46 -3.236 -2.849 5.516 1.00 0.00 N ATOM 0 H GLN A 46 -4.674 -2.134 0.988 1.00 0.00 H new ATOM 0 HA GLN A 46 -2.713 -4.013 -0.009 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.867 -3.881 2.308 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -2.015 -2.314 1.536 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -3.124 -1.622 3.344 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.465 -2.627 2.831 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -3.363 -1.837 5.534 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -3.096 -3.361 6.387 1.00 0.00 H new ATOM 647 N GLN A 47 -5.291 -5.053 1.670 1.00 0.00 N ATOM 648 CA GLN A 47 -6.034 -6.260 2.031 1.00 0.00 C ATOM 649 C GLN A 47 -6.357 -7.046 0.762 1.00 0.00 C ATOM 650 O GLN A 47 -6.224 -8.269 0.720 1.00 0.00 O ATOM 651 CB GLN A 47 -7.320 -5.875 2.783 1.00 0.00 C ATOM 652 CG GLN A 47 -7.863 -6.933 3.740 1.00 0.00 C ATOM 653 CD GLN A 47 -8.640 -8.037 3.052 1.00 0.00 C ATOM 654 OE1 GLN A 47 -9.844 -7.912 2.816 1.00 0.00 O ATOM 655 NE2 GLN A 47 -7.970 -9.136 2.758 1.00 0.00 N ATOM 0 H GLN A 47 -5.819 -4.187 1.775 1.00 0.00 H new ATOM 0 HA GLN A 47 -5.432 -6.886 2.689 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -7.130 -4.962 3.348 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.093 -5.642 2.050 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -7.031 -7.374 4.289 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -8.508 -6.450 4.473 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -6.974 -9.198 2.970 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -8.448 -9.923 2.319 1.00 0.00 H new ATOM 664 N ASP A 48 -6.756 -6.316 -0.275 1.00 0.00 N ATOM 665 CA ASP A 48 -7.053 -6.897 -1.583 1.00 0.00 C ATOM 666 C ASP A 48 -5.844 -7.628 -2.157 1.00 0.00 C ATOM 667 O ASP A 48 -5.952 -8.767 -2.613 1.00 0.00 O ATOM 668 CB ASP A 48 -7.493 -5.789 -2.547 1.00 0.00 C ATOM 669 CG ASP A 48 -7.527 -6.234 -3.996 1.00 0.00 C ATOM 670 OD1 ASP A 48 -8.537 -6.837 -4.415 1.00 0.00 O ATOM 671 OD2 ASP A 48 -6.546 -5.969 -4.726 1.00 0.00 O ATOM 0 H ASP A 48 -6.883 -5.305 -0.234 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.856 -7.623 -1.458 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.484 -5.438 -2.258 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.814 -4.942 -2.450 1.00 0.00 H new ATOM 676 N SER A 49 -4.693 -6.974 -2.116 1.00 0.00 N ATOM 677 CA SER A 49 -3.485 -7.524 -2.710 1.00 0.00 C ATOM 678 C SER A 49 -2.820 -8.552 -1.799 1.00 0.00 C ATOM 679 O SER A 49 -2.306 -9.571 -2.266 1.00 0.00 O ATOM 680 CB SER A 49 -2.508 -6.396 -3.038 1.00 0.00 C ATOM 681 OG SER A 49 -2.346 -5.521 -1.931 1.00 0.00 O ATOM 0 H SER A 49 -4.570 -6.061 -1.677 1.00 0.00 H new ATOM 0 HA SER A 49 -3.769 -8.038 -3.628 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.542 -6.817 -3.317 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.872 -5.835 -3.899 1.00 0.00 H new ATOM 0 HG SER A 49 -3.071 -4.861 -1.927 1.00 0.00 H new ATOM 687 N GLY A 50 -2.838 -8.286 -0.502 1.00 0.00 N ATOM 688 CA GLY A 50 -2.175 -9.157 0.443 1.00 0.00 C ATOM 689 C GLY A 50 -0.847 -8.584 0.893 1.00 0.00 C ATOM 690 O GLY A 50 -0.057 -9.259 1.554 1.00 0.00 O ATOM 0 H GLY A 50 -3.302 -7.479 -0.086 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.818 -9.311 1.310 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.015 -10.134 -0.013 1.00 0.00 H new ATOM 694 N CYS A 51 -0.598 -7.337 0.525 1.00 0.00 N ATOM 695 CA CYS A 51 0.633 -6.661 0.890 1.00 0.00 C ATOM 696 C CYS A 51 0.588 -6.166 2.330 1.00 0.00 C ATOM 697 O CYS A 51 -0.432 -5.670 2.804 1.00 0.00 O ATOM 698 CB CYS A 51 0.883 -5.488 -0.052 1.00 0.00 C ATOM 699 SG CYS A 51 2.416 -4.587 0.274 1.00 0.00 S ATOM 0 H CYS A 51 -1.239 -6.770 -0.031 1.00 0.00 H new ATOM 0 HA CYS A 51 1.449 -7.379 0.803 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.904 -5.858 -1.077 1.00 0.00 H new ATOM 0 HB3 CYS A 51 0.045 -4.794 0.020 1.00 0.00 H new ATOM 0 HG CYS A 51 3.319 -5.412 0.714 1.00 0.00 H new ATOM 705 N LYS A 52 1.709 -6.315 3.010 1.00 0.00 N ATOM 706 CA LYS A 52 1.873 -5.827 4.364 1.00 0.00 C ATOM 707 C LYS A 52 2.362 -4.392 4.313 1.00 0.00 C ATOM 708 O LYS A 52 3.561 -4.129 4.442 1.00 0.00 O ATOM 709 CB LYS A 52 2.894 -6.685 5.122 1.00 0.00 C ATOM 710 CG LYS A 52 2.821 -8.164 4.789 1.00 0.00 C ATOM 711 CD LYS A 52 1.471 -8.757 5.144 1.00 0.00 C ATOM 712 CE LYS A 52 1.344 -10.170 4.615 1.00 0.00 C ATOM 713 NZ LYS A 52 0.068 -10.802 5.037 1.00 0.00 N ATOM 0 H LYS A 52 2.535 -6.781 2.635 1.00 0.00 H new ATOM 0 HA LYS A 52 0.916 -5.881 4.883 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.897 -6.321 4.899 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.739 -6.555 6.193 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.012 -8.307 3.725 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.605 -8.697 5.328 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.343 -8.757 6.226 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.677 -8.137 4.729 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.401 -10.158 3.527 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.182 -10.769 4.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.017 -11.768 4.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.024 -10.836 6.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.732 -10.244 4.675 1.00 0.00 H new ATOM 727 N VAL A 53 1.445 -3.472 4.085 1.00 0.00 N ATOM 728 CA VAL A 53 1.797 -2.069 4.048 1.00 0.00 C ATOM 729 C VAL A 53 1.859 -1.538 5.469 1.00 0.00 C ATOM 730 O VAL A 53 0.973 -1.796 6.286 1.00 0.00 O ATOM 731 CB VAL A 53 0.795 -1.247 3.202 1.00 0.00 C ATOM 732 CG1 VAL A 53 -0.552 -1.143 3.886 1.00 0.00 C ATOM 733 CG2 VAL A 53 1.345 0.135 2.891 1.00 0.00 C ATOM 0 H VAL A 53 0.458 -3.670 3.924 1.00 0.00 H new ATOM 0 HA VAL A 53 2.772 -1.967 3.572 1.00 0.00 H new ATOM 0 HB VAL A 53 0.653 -1.777 2.260 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.231 -0.559 3.265 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.963 -2.142 4.034 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.433 -0.653 4.852 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.620 0.690 2.296 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.535 0.669 3.822 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.276 0.039 2.332 1.00 0.00 H new ATOM 743 N GLN A 54 2.929 -0.849 5.786 1.00 0.00 N ATOM 744 CA GLN A 54 3.098 -0.325 7.121 1.00 0.00 C ATOM 745 C GLN A 54 3.081 1.181 7.108 1.00 0.00 C ATOM 746 O GLN A 54 4.009 1.836 6.628 1.00 0.00 O ATOM 747 CB GLN A 54 4.369 -0.878 7.756 1.00 0.00 C ATOM 748 CG GLN A 54 4.237 -2.355 8.082 1.00 0.00 C ATOM 749 CD GLN A 54 3.179 -2.619 9.143 1.00 0.00 C ATOM 750 OE1 GLN A 54 3.492 -2.744 10.328 1.00 0.00 O ATOM 751 NE2 GLN A 54 1.914 -2.634 8.740 1.00 0.00 N ATOM 0 H GLN A 54 3.692 -0.639 5.142 1.00 0.00 H new ATOM 0 HA GLN A 54 2.259 -0.651 7.736 1.00 0.00 H new ATOM 0 HB2 GLN A 54 5.209 -0.729 7.078 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.592 -0.323 8.667 1.00 0.00 H new ATOM 0 HG2 GLN A 54 3.984 -2.904 7.175 1.00 0.00 H new ATOM 0 HG3 GLN A 54 5.198 -2.736 8.427 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.693 -2.528 7.750 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.163 -2.752 9.420 1.00 0.00 H new ATOM 760 N ILE A 55 1.986 1.716 7.611 1.00 0.00 N ATOM 761 CA ILE A 55 1.793 3.141 7.672 1.00 0.00 C ATOM 762 C ILE A 55 2.532 3.705 8.880 1.00 0.00 C ATOM 763 O ILE A 55 2.116 3.512 10.024 1.00 0.00 O ATOM 764 CB ILE A 55 0.279 3.488 7.715 1.00 0.00 C ATOM 765 CG1 ILE A 55 -0.386 3.157 6.368 1.00 0.00 C ATOM 766 CG2 ILE A 55 0.042 4.939 8.084 1.00 0.00 C ATOM 767 CD1 ILE A 55 0.321 3.755 5.168 1.00 0.00 C ATOM 0 H ILE A 55 1.210 1.171 7.987 1.00 0.00 H new ATOM 0 HA ILE A 55 2.204 3.600 6.773 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.176 2.876 8.494 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.426 2.074 6.251 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.416 3.514 6.385 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.029 5.139 8.103 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.466 5.138 9.068 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.519 5.585 7.347 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.209 3.476 4.257 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.338 4.841 5.260 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.343 3.379 5.123 1.00 0.00 H new ATOM 779 N SER A 56 3.645 4.379 8.614 1.00 0.00 N ATOM 780 CA SER A 56 4.526 4.851 9.667 1.00 0.00 C ATOM 781 C SER A 56 4.479 6.370 9.796 1.00 0.00 C ATOM 782 O SER A 56 5.108 7.098 9.017 1.00 0.00 O ATOM 783 CB SER A 56 5.958 4.384 9.397 1.00 0.00 C ATOM 784 OG SER A 56 6.036 2.967 9.398 1.00 0.00 O ATOM 0 H SER A 56 3.957 4.610 7.671 1.00 0.00 H new ATOM 0 HA SER A 56 4.182 4.429 10.611 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.296 4.770 8.435 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.627 4.790 10.156 1.00 0.00 H new ATOM 0 HG SER A 56 6.959 2.690 9.222 1.00 0.00 H new ATOM 790 N PRO A 57 3.718 6.861 10.786 1.00 0.00 N ATOM 791 CA PRO A 57 3.641 8.279 11.113 1.00 0.00 C ATOM 792 C PRO A 57 4.747 8.678 12.084 1.00 0.00 C ATOM 793 O PRO A 57 4.631 9.653 12.826 1.00 0.00 O ATOM 794 CB PRO A 57 2.273 8.382 11.774 1.00 0.00 C ATOM 795 CG PRO A 57 2.116 7.088 12.493 1.00 0.00 C ATOM 796 CD PRO A 57 2.861 6.058 11.682 1.00 0.00 C ATOM 0 HA PRO A 57 3.763 8.935 10.251 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.225 9.227 12.460 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.484 8.526 11.036 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.520 7.153 13.503 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.063 6.821 12.587 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.454 5.401 12.319 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.178 5.423 11.118 1.00 0.00 H new ATOM 804 N ASP A 58 5.821 7.903 12.061 1.00 0.00 N ATOM 805 CA ASP A 58 6.943 8.107 12.960 1.00 0.00 C ATOM 806 C ASP A 58 7.805 9.254 12.466 1.00 0.00 C ATOM 807 O ASP A 58 8.391 9.979 13.270 1.00 0.00 O ATOM 808 CB ASP A 58 7.796 6.834 13.039 1.00 0.00 C ATOM 809 CG ASP A 58 6.996 5.604 13.424 1.00 0.00 C ATOM 810 OD1 ASP A 58 6.423 4.954 12.521 1.00 0.00 O ATOM 811 OD2 ASP A 58 6.955 5.266 14.625 1.00 0.00 O ATOM 0 H ASP A 58 5.938 7.118 11.420 1.00 0.00 H new ATOM 0 HA ASP A 58 6.554 8.344 13.950 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.272 6.663 12.074 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.594 6.983 13.766 1.00 0.00 H new ATOM 816 N SER A 59 7.845 9.431 11.144 1.00 0.00 N ATOM 817 CA SER A 59 8.671 10.459 10.507 1.00 0.00 C ATOM 818 C SER A 59 10.081 10.478 11.101 1.00 0.00 C ATOM 819 O SER A 59 10.499 11.448 11.741 1.00 0.00 O ATOM 820 CB SER A 59 8.003 11.844 10.595 1.00 0.00 C ATOM 821 OG SER A 59 7.651 12.184 11.929 1.00 0.00 O ATOM 0 H SER A 59 7.307 8.867 10.486 1.00 0.00 H new ATOM 0 HA SER A 59 8.762 10.207 9.450 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.681 12.599 10.196 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.110 11.855 9.971 1.00 0.00 H new ATOM 0 HG SER A 59 8.157 11.624 12.554 1.00 0.00 H new ATOM 827 N GLY A 60 10.798 9.384 10.889 1.00 0.00 N ATOM 828 CA GLY A 60 12.146 9.255 11.398 1.00 0.00 C ATOM 829 C GLY A 60 13.157 9.363 10.282 1.00 0.00 C ATOM 830 O GLY A 60 13.159 8.540 9.366 1.00 0.00 O ATOM 0 H GLY A 60 10.464 8.574 10.367 1.00 0.00 H new ATOM 0 HA2 GLY A 60 12.334 10.030 12.141 1.00 0.00 H new ATOM 0 HA3 GLY A 60 12.258 8.296 11.903 1.00 0.00 H new ATOM 834 N GLY A 61 13.993 10.394 10.329 1.00 0.00 N ATOM 835 CA GLY A 61 14.891 10.674 9.221 1.00 0.00 C ATOM 836 C GLY A 61 14.160 11.393 8.109 1.00 0.00 C ATOM 837 O GLY A 61 14.631 12.392 7.569 1.00 0.00 O ATOM 0 H GLY A 61 14.066 11.042 11.114 1.00 0.00 H new ATOM 0 HA2 GLY A 61 15.726 11.283 9.568 1.00 0.00 H new ATOM 0 HA3 GLY A 61 15.312 9.742 8.843 1.00 0.00 H new ATOM 841 N LEU A 62 13.005 10.853 7.777 1.00 0.00 N ATOM 842 CA LEU A 62 12.091 11.450 6.825 1.00 0.00 C ATOM 843 C LEU A 62 11.167 12.401 7.575 1.00 0.00 C ATOM 844 O LEU A 62 10.564 12.008 8.570 1.00 0.00 O ATOM 845 CB LEU A 62 11.256 10.347 6.147 1.00 0.00 C ATOM 846 CG LEU A 62 11.960 9.469 5.093 1.00 0.00 C ATOM 847 CD1 LEU A 62 13.369 9.071 5.507 1.00 0.00 C ATOM 848 CD2 LEU A 62 11.139 8.215 4.847 1.00 0.00 C ATOM 0 H LEU A 62 12.670 9.972 8.168 1.00 0.00 H new ATOM 0 HA LEU A 62 12.648 11.992 6.061 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.868 9.691 6.927 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.397 10.820 5.672 1.00 0.00 H new ATOM 0 HG LEU A 62 12.042 10.063 4.183 1.00 0.00 H new ATOM 0 HD11 LEU A 62 13.817 8.454 4.728 1.00 0.00 H new ATOM 0 HD12 LEU A 62 13.972 9.967 5.652 1.00 0.00 H new ATOM 0 HD13 LEU A 62 13.329 8.506 6.438 1.00 0.00 H new ATOM 0 HD21 LEU A 62 11.637 7.595 4.102 1.00 0.00 H new ATOM 0 HD22 LEU A 62 11.041 7.656 5.778 1.00 0.00 H new ATOM 0 HD23 LEU A 62 10.149 8.493 4.485 1.00 0.00 H new ATOM 860 N PRO A 63 11.039 13.658 7.133 1.00 0.00 N ATOM 861 CA PRO A 63 10.200 14.641 7.823 1.00 0.00 C ATOM 862 C PRO A 63 8.738 14.479 7.439 1.00 0.00 C ATOM 863 O PRO A 63 7.837 15.037 8.066 1.00 0.00 O ATOM 864 CB PRO A 63 10.743 15.962 7.288 1.00 0.00 C ATOM 865 CG PRO A 63 11.109 15.634 5.882 1.00 0.00 C ATOM 866 CD PRO A 63 11.675 14.234 5.928 1.00 0.00 C ATOM 0 HA PRO A 63 10.233 14.551 8.909 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.995 16.754 7.335 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.606 16.304 7.860 1.00 0.00 H new ATOM 0 HG2 PRO A 63 10.238 15.684 5.228 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.841 16.341 5.492 1.00 0.00 H new ATOM 0 HD2 PRO A 63 11.426 13.668 5.030 1.00 0.00 H new ATOM 0 HD3 PRO A 63 12.762 14.240 6.009 1.00 0.00 H new ATOM 874 N GLU A 64 8.533 13.712 6.390 1.00 0.00 N ATOM 875 CA GLU A 64 7.221 13.467 5.844 1.00 0.00 C ATOM 876 C GLU A 64 6.705 12.125 6.333 1.00 0.00 C ATOM 877 O GLU A 64 7.132 11.628 7.378 1.00 0.00 O ATOM 878 CB GLU A 64 7.305 13.500 4.317 1.00 0.00 C ATOM 879 CG GLU A 64 8.400 12.604 3.760 1.00 0.00 C ATOM 880 CD GLU A 64 8.852 13.024 2.379 1.00 0.00 C ATOM 881 OE1 GLU A 64 8.217 12.621 1.388 1.00 0.00 O ATOM 882 OE2 GLU A 64 9.858 13.758 2.281 1.00 0.00 O ATOM 0 H GLU A 64 9.283 13.237 5.888 1.00 0.00 H new ATOM 0 HA GLU A 64 6.525 14.238 6.175 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.346 13.194 3.900 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.482 14.525 3.991 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.254 12.617 4.437 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.039 11.576 3.723 1.00 0.00 H new ATOM 889 N ARG A 65 5.803 11.538 5.582 1.00 0.00 N ATOM 890 CA ARG A 65 5.262 10.248 5.929 1.00 0.00 C ATOM 891 C ARG A 65 6.098 9.134 5.317 1.00 0.00 C ATOM 892 O ARG A 65 6.536 9.232 4.171 1.00 0.00 O ATOM 893 CB ARG A 65 3.821 10.142 5.446 1.00 0.00 C ATOM 894 CG ARG A 65 2.788 10.288 6.546 1.00 0.00 C ATOM 895 CD ARG A 65 3.055 9.303 7.663 1.00 0.00 C ATOM 896 NE ARG A 65 3.284 7.951 7.149 1.00 0.00 N ATOM 897 CZ ARG A 65 2.340 7.156 6.659 1.00 0.00 C ATOM 898 NH1 ARG A 65 1.066 7.509 6.715 1.00 0.00 N ATOM 899 NH2 ARG A 65 2.678 5.984 6.136 1.00 0.00 N ATOM 0 H ARG A 65 5.427 11.937 4.722 1.00 0.00 H new ATOM 0 HA ARG A 65 5.286 10.143 7.014 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.644 10.909 4.692 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.683 9.177 4.958 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.808 11.305 6.938 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.790 10.123 6.139 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.925 9.627 8.234 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.208 9.293 8.350 1.00 0.00 H new ATOM 0 HE ARG A 65 4.239 7.594 7.169 1.00 0.00 H new ATOM 0 HH11 ARG A 65 0.801 8.399 7.137 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.348 6.891 6.336 1.00 0.00 H new ATOM 0 HH21 ARG A 65 3.657 5.699 6.112 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.959 5.368 5.758 1.00 0.00 H new ATOM 913 N SER A 66 6.337 8.082 6.083 1.00 0.00 N ATOM 914 CA SER A 66 7.055 6.938 5.566 1.00 0.00 C ATOM 915 C SER A 66 6.115 5.746 5.419 1.00 0.00 C ATOM 916 O SER A 66 5.350 5.419 6.333 1.00 0.00 O ATOM 917 CB SER A 66 8.238 6.611 6.478 1.00 0.00 C ATOM 918 OG SER A 66 7.829 6.527 7.835 1.00 0.00 O ATOM 0 H SER A 66 6.045 8.000 7.057 1.00 0.00 H new ATOM 0 HA SER A 66 7.446 7.174 4.576 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.687 5.667 6.171 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.005 7.378 6.373 1.00 0.00 H new ATOM 0 HG SER A 66 8.603 6.315 8.397 1.00 0.00 H new ATOM 924 N VAL A 67 6.125 5.139 4.245 1.00 0.00 N ATOM 925 CA VAL A 67 5.317 3.957 3.989 1.00 0.00 C ATOM 926 C VAL A 67 6.209 2.782 3.628 1.00 0.00 C ATOM 927 O VAL A 67 6.910 2.821 2.620 1.00 0.00 O ATOM 928 CB VAL A 67 4.313 4.180 2.835 1.00 0.00 C ATOM 929 CG1 VAL A 67 3.522 2.911 2.554 1.00 0.00 C ATOM 930 CG2 VAL A 67 3.370 5.328 3.146 1.00 0.00 C ATOM 0 H VAL A 67 6.686 5.446 3.450 1.00 0.00 H new ATOM 0 HA VAL A 67 4.759 3.750 4.902 1.00 0.00 H new ATOM 0 HB VAL A 67 4.885 4.438 1.944 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.822 3.092 1.738 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.206 2.110 2.274 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.970 2.621 3.448 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.675 5.463 2.317 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.812 5.104 4.055 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.945 6.243 3.289 1.00 0.00 H new ATOM 940 N SER A 68 6.196 1.748 4.448 1.00 0.00 N ATOM 941 CA SER A 68 6.930 0.543 4.123 1.00 0.00 C ATOM 942 C SER A 68 6.035 -0.451 3.416 1.00 0.00 C ATOM 943 O SER A 68 4.890 -0.674 3.815 1.00 0.00 O ATOM 944 CB SER A 68 7.519 -0.106 5.362 1.00 0.00 C ATOM 945 OG SER A 68 8.515 0.716 5.949 1.00 0.00 O ATOM 0 H SER A 68 5.691 1.719 5.334 1.00 0.00 H new ATOM 0 HA SER A 68 7.747 0.833 3.463 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.728 -0.296 6.087 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.950 -1.072 5.099 1.00 0.00 H new ATOM 0 HG SER A 68 8.876 0.274 6.746 1.00 0.00 H new ATOM 951 N LEU A 69 6.558 -1.032 2.363 1.00 0.00 N ATOM 952 CA LEU A 69 5.825 -2.014 1.602 1.00 0.00 C ATOM 953 C LEU A 69 6.524 -3.367 1.603 1.00 0.00 C ATOM 954 O LEU A 69 7.713 -3.467 1.297 1.00 0.00 O ATOM 955 CB LEU A 69 5.641 -1.492 0.191 1.00 0.00 C ATOM 956 CG LEU A 69 4.664 -0.324 0.088 1.00 0.00 C ATOM 957 CD1 LEU A 69 4.763 0.352 -1.262 1.00 0.00 C ATOM 958 CD2 LEU A 69 3.252 -0.814 0.333 1.00 0.00 C ATOM 0 H LEU A 69 7.496 -0.839 2.012 1.00 0.00 H new ATOM 0 HA LEU A 69 4.851 -2.171 2.066 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.609 -1.179 -0.200 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.289 -2.305 -0.444 1.00 0.00 H new ATOM 0 HG LEU A 69 4.924 0.412 0.848 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.056 1.180 -1.307 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.775 0.731 -1.406 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.530 -0.367 -2.047 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.558 0.023 0.258 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.994 -1.567 -0.412 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.186 -1.252 1.329 1.00 0.00 H new ATOM 970 N THR A 70 5.768 -4.398 1.962 1.00 0.00 N ATOM 971 CA THR A 70 6.275 -5.760 2.037 1.00 0.00 C ATOM 972 C THR A 70 5.154 -6.758 1.755 1.00 0.00 C ATOM 973 O THR A 70 3.989 -6.415 1.881 1.00 0.00 O ATOM 974 CB THR A 70 6.884 -6.046 3.421 1.00 0.00 C ATOM 975 OG1 THR A 70 6.592 -4.969 4.329 1.00 0.00 O ATOM 976 CG2 THR A 70 8.385 -6.237 3.311 1.00 0.00 C ATOM 0 H THR A 70 4.782 -4.311 2.210 1.00 0.00 H new ATOM 0 HA THR A 70 7.055 -5.870 1.284 1.00 0.00 H new ATOM 0 HB THR A 70 6.441 -6.964 3.808 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.621 -4.854 4.399 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.800 -6.438 4.299 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.597 -7.077 2.650 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.838 -5.333 2.905 1.00 0.00 H new ATOM 984 N GLY A 71 5.489 -7.968 1.338 1.00 0.00 N ATOM 985 CA GLY A 71 4.467 -8.979 1.111 1.00 0.00 C ATOM 986 C GLY A 71 4.846 -9.934 0.006 1.00 0.00 C ATOM 987 O GLY A 71 6.018 -10.145 -0.247 1.00 0.00 O ATOM 0 H GLY A 71 6.445 -8.272 1.152 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.301 -9.539 2.032 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.525 -8.491 0.860 1.00 0.00 H new ATOM 991 N ALA A 72 3.867 -10.510 -0.662 1.00 0.00 N ATOM 992 CA ALA A 72 4.152 -11.387 -1.782 1.00 0.00 C ATOM 993 C ALA A 72 4.496 -10.541 -3.003 1.00 0.00 C ATOM 994 O ALA A 72 4.058 -9.397 -3.085 1.00 0.00 O ATOM 995 CB ALA A 72 2.963 -12.295 -2.060 1.00 0.00 C ATOM 0 H ALA A 72 2.876 -10.389 -0.453 1.00 0.00 H new ATOM 0 HA ALA A 72 5.004 -12.024 -1.543 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.192 -12.947 -2.903 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.754 -12.901 -1.179 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.089 -11.688 -2.298 1.00 0.00 H new ATOM 1001 N PRO A 73 5.306 -11.063 -3.944 1.00 0.00 N ATOM 1002 CA PRO A 73 5.776 -10.291 -5.104 1.00 0.00 C ATOM 1003 C PRO A 73 4.653 -9.525 -5.796 1.00 0.00 C ATOM 1004 O PRO A 73 4.781 -8.334 -6.083 1.00 0.00 O ATOM 1005 CB PRO A 73 6.343 -11.366 -6.028 1.00 0.00 C ATOM 1006 CG PRO A 73 6.797 -12.445 -5.108 1.00 0.00 C ATOM 1007 CD PRO A 73 5.831 -12.441 -3.953 1.00 0.00 C ATOM 0 HA PRO A 73 6.497 -9.525 -4.819 1.00 0.00 H new ATOM 0 HB2 PRO A 73 5.588 -11.730 -6.725 1.00 0.00 H new ATOM 0 HB3 PRO A 73 7.169 -10.980 -6.626 1.00 0.00 H new ATOM 0 HG2 PRO A 73 6.799 -13.412 -5.612 1.00 0.00 H new ATOM 0 HG3 PRO A 73 7.815 -12.262 -4.765 1.00 0.00 H new ATOM 0 HD2 PRO A 73 5.035 -13.172 -4.094 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.328 -12.687 -3.014 1.00 0.00 H new ATOM 1015 N GLU A 74 3.539 -10.210 -6.023 1.00 0.00 N ATOM 1016 CA GLU A 74 2.390 -9.608 -6.686 1.00 0.00 C ATOM 1017 C GLU A 74 1.637 -8.673 -5.736 1.00 0.00 C ATOM 1018 O GLU A 74 1.089 -7.651 -6.156 1.00 0.00 O ATOM 1019 CB GLU A 74 1.463 -10.703 -7.225 1.00 0.00 C ATOM 1020 CG GLU A 74 0.228 -10.177 -7.934 1.00 0.00 C ATOM 1021 CD GLU A 74 -0.481 -11.247 -8.737 1.00 0.00 C ATOM 1022 OE1 GLU A 74 -0.723 -12.349 -8.198 1.00 0.00 O ATOM 1023 OE2 GLU A 74 -0.785 -10.995 -9.924 1.00 0.00 O ATOM 0 H GLU A 74 3.407 -11.186 -5.757 1.00 0.00 H new ATOM 0 HA GLU A 74 2.747 -9.009 -7.524 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.025 -11.332 -7.916 1.00 0.00 H new ATOM 0 HB3 GLU A 74 1.150 -11.339 -6.397 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.461 -9.764 -7.198 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.514 -9.360 -8.597 1.00 0.00 H new ATOM 1030 N SER A 75 1.644 -9.009 -4.453 1.00 0.00 N ATOM 1031 CA SER A 75 0.940 -8.227 -3.454 1.00 0.00 C ATOM 1032 C SER A 75 1.643 -6.898 -3.223 1.00 0.00 C ATOM 1033 O SER A 75 1.020 -5.837 -3.268 1.00 0.00 O ATOM 1034 CB SER A 75 0.864 -9.016 -2.152 1.00 0.00 C ATOM 1035 OG SER A 75 0.356 -10.317 -2.379 1.00 0.00 O ATOM 0 H SER A 75 2.133 -9.823 -4.081 1.00 0.00 H new ATOM 0 HA SER A 75 -0.069 -8.021 -3.811 1.00 0.00 H new ATOM 0 HB2 SER A 75 1.855 -9.081 -1.703 1.00 0.00 H new ATOM 0 HB3 SER A 75 0.226 -8.491 -1.441 1.00 0.00 H new ATOM 0 HG SER A 75 -0.624 -10.293 -2.363 1.00 0.00 H new ATOM 1041 N VAL A 76 2.949 -6.968 -3.004 1.00 0.00 N ATOM 1042 CA VAL A 76 3.738 -5.787 -2.709 1.00 0.00 C ATOM 1043 C VAL A 76 3.795 -4.864 -3.925 1.00 0.00 C ATOM 1044 O VAL A 76 3.926 -3.650 -3.789 1.00 0.00 O ATOM 1045 CB VAL A 76 5.165 -6.169 -2.243 1.00 0.00 C ATOM 1046 CG1 VAL A 76 6.020 -6.677 -3.395 1.00 0.00 C ATOM 1047 CG2 VAL A 76 5.829 -4.999 -1.545 1.00 0.00 C ATOM 0 H VAL A 76 3.484 -7.836 -3.026 1.00 0.00 H new ATOM 0 HA VAL A 76 3.253 -5.253 -1.892 1.00 0.00 H new ATOM 0 HB VAL A 76 5.071 -6.987 -1.529 1.00 0.00 H new ATOM 0 HG11 VAL A 76 7.013 -6.934 -3.026 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.555 -7.561 -3.831 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.105 -5.900 -4.155 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.830 -5.287 -1.225 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.896 -4.156 -2.232 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.239 -4.712 -0.675 1.00 0.00 H new ATOM 1057 N GLN A 77 3.662 -5.447 -5.112 1.00 0.00 N ATOM 1058 CA GLN A 77 3.659 -4.672 -6.343 1.00 0.00 C ATOM 1059 C GLN A 77 2.353 -3.895 -6.480 1.00 0.00 C ATOM 1060 O GLN A 77 2.358 -2.728 -6.858 1.00 0.00 O ATOM 1061 CB GLN A 77 3.867 -5.584 -7.555 1.00 0.00 C ATOM 1062 CG GLN A 77 4.070 -4.829 -8.860 1.00 0.00 C ATOM 1063 CD GLN A 77 4.371 -5.753 -10.023 1.00 0.00 C ATOM 1064 OE1 GLN A 77 5.530 -6.070 -10.295 1.00 0.00 O ATOM 1065 NE2 GLN A 77 3.335 -6.183 -10.722 1.00 0.00 N ATOM 0 H GLN A 77 3.555 -6.453 -5.245 1.00 0.00 H new ATOM 0 HA GLN A 77 4.484 -3.961 -6.303 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.733 -6.221 -7.375 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.004 -6.242 -7.656 1.00 0.00 H new ATOM 0 HG2 GLN A 77 3.175 -4.248 -9.083 1.00 0.00 H new ATOM 0 HG3 GLN A 77 4.889 -4.119 -8.742 1.00 0.00 H new ATOM 0 HE21 GLN A 77 2.391 -5.897 -10.463 1.00 0.00 H new ATOM 0 HE22 GLN A 77 3.480 -6.801 -11.520 1.00 0.00 H new ATOM 1074 N LYS A 78 1.239 -4.546 -6.149 1.00 0.00 N ATOM 1075 CA LYS A 78 -0.076 -3.916 -6.244 1.00 0.00 C ATOM 1076 C LYS A 78 -0.181 -2.748 -5.260 1.00 0.00 C ATOM 1077 O LYS A 78 -0.734 -1.687 -5.583 1.00 0.00 O ATOM 1078 CB LYS A 78 -1.175 -4.956 -5.984 1.00 0.00 C ATOM 1079 CG LYS A 78 -2.568 -4.521 -6.424 1.00 0.00 C ATOM 1080 CD LYS A 78 -3.269 -3.677 -5.374 1.00 0.00 C ATOM 1081 CE LYS A 78 -4.541 -3.047 -5.920 1.00 0.00 C ATOM 1082 NZ LYS A 78 -5.538 -4.061 -6.361 1.00 0.00 N ATOM 0 H LYS A 78 1.221 -5.509 -5.813 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.209 -3.519 -7.251 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.915 -5.879 -6.502 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.198 -5.184 -4.918 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.492 -3.953 -7.351 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.171 -5.404 -6.639 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.511 -4.297 -4.510 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.595 -2.894 -5.026 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.987 -2.414 -5.153 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.290 -2.400 -6.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.364 -3.580 -6.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.109 -4.682 -7.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.839 -4.630 -5.544 1.00 0.00 H new ATOM 1096 N ALA A 79 0.362 -2.942 -4.064 1.00 0.00 N ATOM 1097 CA ALA A 79 0.420 -1.878 -3.078 1.00 0.00 C ATOM 1098 C ALA A 79 1.205 -0.696 -3.635 1.00 0.00 C ATOM 1099 O ALA A 79 0.771 0.453 -3.545 1.00 0.00 O ATOM 1100 CB ALA A 79 1.055 -2.384 -1.798 1.00 0.00 C ATOM 0 H ALA A 79 0.767 -3.826 -3.757 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.594 -1.548 -2.851 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.093 -1.577 -1.067 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.463 -3.208 -1.399 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.067 -2.732 -2.007 1.00 0.00 H new ATOM 1106 N LYS A 80 2.356 -0.996 -4.235 1.00 0.00 N ATOM 1107 CA LYS A 80 3.195 0.025 -4.856 1.00 0.00 C ATOM 1108 C LYS A 80 2.498 0.679 -6.046 1.00 0.00 C ATOM 1109 O LYS A 80 2.827 1.803 -6.410 1.00 0.00 O ATOM 1110 CB LYS A 80 4.549 -0.555 -5.289 1.00 0.00 C ATOM 1111 CG LYS A 80 5.430 -0.950 -4.115 1.00 0.00 C ATOM 1112 CD LYS A 80 6.856 -1.270 -4.532 1.00 0.00 C ATOM 1113 CE LYS A 80 6.937 -2.551 -5.343 1.00 0.00 C ATOM 1114 NZ LYS A 80 8.349 -2.962 -5.572 1.00 0.00 N ATOM 0 H LYS A 80 2.729 -1.943 -4.304 1.00 0.00 H new ATOM 0 HA LYS A 80 3.372 0.793 -4.103 1.00 0.00 H new ATOM 0 HB2 LYS A 80 4.379 -1.429 -5.918 1.00 0.00 H new ATOM 0 HB3 LYS A 80 5.074 0.180 -5.899 1.00 0.00 H new ATOM 0 HG2 LYS A 80 5.442 -0.139 -3.387 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.998 -1.818 -3.618 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.256 -0.443 -5.119 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.481 -1.363 -3.644 1.00 0.00 H new ATOM 0 HE2 LYS A 80 6.405 -3.347 -4.822 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.438 -2.408 -6.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 8.369 -3.840 -6.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 8.849 -2.212 -6.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 8.817 -3.122 -4.657 1.00 0.00 H new ATOM 1128 N MET A 81 1.534 -0.017 -6.645 1.00 0.00 N ATOM 1129 CA MET A 81 0.750 0.566 -7.731 1.00 0.00 C ATOM 1130 C MET A 81 0.019 1.800 -7.231 1.00 0.00 C ATOM 1131 O MET A 81 0.115 2.874 -7.822 1.00 0.00 O ATOM 1132 CB MET A 81 -0.277 -0.423 -8.293 1.00 0.00 C ATOM 1133 CG MET A 81 0.320 -1.684 -8.897 1.00 0.00 C ATOM 1134 SD MET A 81 1.355 -1.361 -10.340 1.00 0.00 S ATOM 1135 CE MET A 81 0.167 -0.629 -11.465 1.00 0.00 C ATOM 0 H MET A 81 1.279 -0.974 -6.401 1.00 0.00 H new ATOM 0 HA MET A 81 1.445 0.828 -8.529 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.962 -0.708 -7.494 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.869 0.083 -9.055 1.00 0.00 H new ATOM 0 HG2 MET A 81 0.914 -2.196 -8.140 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.487 -2.360 -9.181 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.549 -0.686 -12.484 1.00 0.00 H new ATOM 0 HE2 MET A 81 -0.777 -1.170 -11.400 1.00 0.00 H new ATOM 0 HE3 MET A 81 0.006 0.415 -11.195 1.00 0.00 H new ATOM 1145 N MET A 82 -0.712 1.639 -6.133 1.00 0.00 N ATOM 1146 CA MET A 82 -1.432 2.763 -5.541 1.00 0.00 C ATOM 1147 C MET A 82 -0.467 3.752 -4.900 1.00 0.00 C ATOM 1148 O MET A 82 -0.683 4.963 -4.954 1.00 0.00 O ATOM 1149 CB MET A 82 -2.457 2.291 -4.507 1.00 0.00 C ATOM 1150 CG MET A 82 -3.733 1.702 -5.100 1.00 0.00 C ATOM 1151 SD MET A 82 -4.783 2.923 -5.929 1.00 0.00 S ATOM 1152 CE MET A 82 -3.918 3.185 -7.478 1.00 0.00 C ATOM 0 H MET A 82 -0.822 0.753 -5.639 1.00 0.00 H new ATOM 0 HA MET A 82 -1.966 3.264 -6.348 1.00 0.00 H new ATOM 0 HB2 MET A 82 -1.990 1.542 -3.868 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.724 3.133 -3.869 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.465 0.922 -5.813 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.305 1.224 -4.305 1.00 0.00 H new ATOM 0 HE1 MET A 82 -4.641 3.268 -8.289 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.333 4.103 -7.417 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.253 2.343 -7.670 1.00 0.00 H new ATOM 1162 N LEU A 83 0.601 3.232 -4.306 1.00 0.00 N ATOM 1163 CA LEU A 83 1.598 4.078 -3.663 1.00 0.00 C ATOM 1164 C LEU A 83 2.233 5.024 -4.668 1.00 0.00 C ATOM 1165 O LEU A 83 2.107 6.238 -4.542 1.00 0.00 O ATOM 1166 CB LEU A 83 2.689 3.236 -2.982 1.00 0.00 C ATOM 1167 CG LEU A 83 2.634 3.191 -1.449 1.00 0.00 C ATOM 1168 CD1 LEU A 83 2.699 4.594 -0.866 1.00 0.00 C ATOM 1169 CD2 LEU A 83 1.377 2.474 -0.978 1.00 0.00 C ATOM 0 H LEU A 83 0.798 2.232 -4.257 1.00 0.00 H new ATOM 0 HA LEU A 83 1.085 4.663 -2.900 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.624 2.216 -3.360 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.662 3.625 -3.281 1.00 0.00 H new ATOM 0 HG LEU A 83 3.501 2.633 -1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.659 4.538 0.222 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.630 5.072 -1.170 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.855 5.179 -1.231 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.357 2.453 0.112 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.497 3.001 -1.347 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.375 1.453 -1.361 1.00 0.00 H new ATOM 1181 N ASP A 84 2.875 4.467 -5.688 1.00 0.00 N ATOM 1182 CA ASP A 84 3.591 5.272 -6.673 1.00 0.00 C ATOM 1183 C ASP A 84 2.634 6.192 -7.411 1.00 0.00 C ATOM 1184 O ASP A 84 3.015 7.273 -7.855 1.00 0.00 O ATOM 1185 CB ASP A 84 4.322 4.386 -7.679 1.00 0.00 C ATOM 1186 CG ASP A 84 5.358 5.159 -8.473 1.00 0.00 C ATOM 1187 OD1 ASP A 84 6.475 5.380 -7.947 1.00 0.00 O ATOM 1188 OD2 ASP A 84 5.061 5.562 -9.618 1.00 0.00 O ATOM 0 H ASP A 84 2.915 3.462 -5.855 1.00 0.00 H new ATOM 0 HA ASP A 84 4.325 5.873 -6.136 1.00 0.00 H new ATOM 0 HB2 ASP A 84 4.808 3.565 -7.152 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.599 3.942 -8.363 1.00 0.00 H new ATOM 1193 N ASP A 85 1.388 5.756 -7.536 1.00 0.00 N ATOM 1194 CA ASP A 85 0.363 6.546 -8.202 1.00 0.00 C ATOM 1195 C ASP A 85 0.156 7.879 -7.481 1.00 0.00 C ATOM 1196 O ASP A 85 0.376 8.955 -8.047 1.00 0.00 O ATOM 1197 CB ASP A 85 -0.954 5.762 -8.242 1.00 0.00 C ATOM 1198 CG ASP A 85 -2.008 6.411 -9.119 1.00 0.00 C ATOM 1199 OD1 ASP A 85 -2.554 7.463 -8.730 1.00 0.00 O ATOM 1200 OD2 ASP A 85 -2.303 5.861 -10.205 1.00 0.00 O ATOM 0 H ASP A 85 1.062 4.856 -7.183 1.00 0.00 H new ATOM 0 HA ASP A 85 0.690 6.752 -9.221 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.758 4.753 -8.606 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -1.343 5.665 -7.228 1.00 0.00 H new ATOM 1205 N ILE A 86 -0.231 7.796 -6.218 1.00 0.00 N ATOM 1206 CA ILE A 86 -0.514 8.983 -5.423 1.00 0.00 C ATOM 1207 C ILE A 86 0.772 9.726 -5.069 1.00 0.00 C ATOM 1208 O ILE A 86 0.814 10.957 -5.069 1.00 0.00 O ATOM 1209 CB ILE A 86 -1.322 8.626 -4.148 1.00 0.00 C ATOM 1210 CG1 ILE A 86 -2.796 8.427 -4.502 1.00 0.00 C ATOM 1211 CG2 ILE A 86 -1.181 9.689 -3.071 1.00 0.00 C ATOM 1212 CD1 ILE A 86 -3.081 7.138 -5.242 1.00 0.00 C ATOM 0 H ILE A 86 -0.357 6.916 -5.719 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.129 9.649 -6.029 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.915 7.698 -3.747 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.385 8.446 -3.585 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.129 9.266 -5.113 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.763 9.400 -2.196 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.132 9.788 -2.793 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.547 10.643 -3.451 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.147 7.070 -5.457 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.521 7.124 -6.177 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.781 6.291 -4.626 1.00 0.00 H new ATOM 1224 N VAL A 87 1.833 8.984 -4.804 1.00 0.00 N ATOM 1225 CA VAL A 87 3.115 9.598 -4.509 1.00 0.00 C ATOM 1226 C VAL A 87 3.618 10.405 -5.709 1.00 0.00 C ATOM 1227 O VAL A 87 4.257 11.434 -5.538 1.00 0.00 O ATOM 1228 CB VAL A 87 4.173 8.552 -4.089 1.00 0.00 C ATOM 1229 CG1 VAL A 87 5.548 9.186 -3.991 1.00 0.00 C ATOM 1230 CG2 VAL A 87 3.804 7.920 -2.756 1.00 0.00 C ATOM 0 H VAL A 87 1.833 7.964 -4.787 1.00 0.00 H new ATOM 0 HA VAL A 87 2.962 10.272 -3.666 1.00 0.00 H new ATOM 0 HB VAL A 87 4.197 7.776 -4.854 1.00 0.00 H new ATOM 0 HG11 VAL A 87 6.276 8.431 -3.694 1.00 0.00 H new ATOM 0 HG12 VAL A 87 5.828 9.599 -4.960 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.529 9.984 -3.248 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.562 7.187 -2.479 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.750 8.693 -1.989 1.00 0.00 H new ATOM 0 HG23 VAL A 87 2.836 7.426 -2.843 1.00 0.00 H new ATOM 1240 N SER A 88 3.300 9.957 -6.914 1.00 0.00 N ATOM 1241 CA SER A 88 3.718 10.669 -8.115 1.00 0.00 C ATOM 1242 C SER A 88 2.943 11.973 -8.283 1.00 0.00 C ATOM 1243 O SER A 88 3.517 12.991 -8.664 1.00 0.00 O ATOM 1244 CB SER A 88 3.538 9.788 -9.355 1.00 0.00 C ATOM 1245 OG SER A 88 3.862 10.487 -10.547 1.00 0.00 O ATOM 0 H SER A 88 2.758 9.110 -7.087 1.00 0.00 H new ATOM 0 HA SER A 88 4.775 10.912 -8.004 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.170 8.904 -9.268 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.507 9.439 -9.407 1.00 0.00 H new ATOM 0 HG SER A 88 3.737 9.895 -11.318 1.00 0.00 H new ATOM 1251 N ARG A 89 1.644 11.951 -7.989 1.00 0.00 N ATOM 1252 CA ARG A 89 0.823 13.146 -8.168 1.00 0.00 C ATOM 1253 C ARG A 89 1.121 14.197 -7.103 1.00 0.00 C ATOM 1254 O ARG A 89 0.802 15.373 -7.275 1.00 0.00 O ATOM 1255 CB ARG A 89 -0.676 12.812 -8.193 1.00 0.00 C ATOM 1256 CG ARG A 89 -1.225 12.149 -6.934 1.00 0.00 C ATOM 1257 CD ARG A 89 -2.716 11.896 -7.070 1.00 0.00 C ATOM 1258 NE ARG A 89 -3.024 11.219 -8.331 1.00 0.00 N ATOM 1259 CZ ARG A 89 -4.135 11.410 -9.038 1.00 0.00 C ATOM 1260 NH1 ARG A 89 -5.114 12.171 -8.567 1.00 0.00 N ATOM 1261 NH2 ARG A 89 -4.268 10.823 -10.219 1.00 0.00 N ATOM 0 H ARG A 89 1.145 11.136 -7.633 1.00 0.00 H new ATOM 0 HA ARG A 89 1.087 13.565 -9.139 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.232 13.733 -8.369 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.870 12.156 -9.041 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.706 11.207 -6.756 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -1.036 12.785 -6.069 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -3.062 11.289 -6.234 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -3.254 12.843 -7.021 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.340 10.555 -8.693 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -5.020 12.617 -7.654 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -5.961 12.311 -9.117 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -3.521 10.229 -10.580 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -5.117 10.965 -10.766 1.00 0.00 H new ATOM 1275 N GLY A 90 1.736 13.777 -6.007 1.00 0.00 N ATOM 1276 CA GLY A 90 2.116 14.719 -4.973 1.00 0.00 C ATOM 1277 C GLY A 90 3.600 15.026 -4.980 1.00 0.00 C ATOM 1278 O GLY A 90 4.011 16.153 -5.254 1.00 0.00 O ATOM 0 H GLY A 90 1.978 12.805 -5.815 1.00 0.00 H new ATOM 0 HA2 GLY A 90 1.557 15.645 -5.107 1.00 0.00 H new ATOM 0 HA3 GLY A 90 1.837 14.316 -3.999 1.00 0.00 H new ATOM 1282 N ARG A 91 4.400 14.017 -4.690 1.00 0.00 N ATOM 1283 CA ARG A 91 5.844 14.169 -4.616 1.00 0.00 C ATOM 1284 C ARG A 91 6.452 14.130 -6.013 1.00 0.00 C ATOM 1285 O ARG A 91 7.135 15.058 -6.442 1.00 0.00 O ATOM 1286 CB ARG A 91 6.436 13.033 -3.776 1.00 0.00 C ATOM 1287 CG ARG A 91 7.879 13.257 -3.360 1.00 0.00 C ATOM 1288 CD ARG A 91 8.582 11.947 -3.035 1.00 0.00 C ATOM 1289 NE ARG A 91 8.838 11.160 -4.242 1.00 0.00 N ATOM 1290 CZ ARG A 91 8.851 9.828 -4.294 1.00 0.00 C ATOM 1291 NH1 ARG A 91 8.642 9.112 -3.198 1.00 0.00 N ATOM 1292 NH2 ARG A 91 9.061 9.213 -5.448 1.00 0.00 N ATOM 0 H ARG A 91 4.070 13.071 -4.499 1.00 0.00 H new ATOM 0 HA ARG A 91 6.073 15.129 -4.154 1.00 0.00 H new ATOM 0 HB2 ARG A 91 5.827 12.902 -2.881 1.00 0.00 H new ATOM 0 HB3 ARG A 91 6.373 12.105 -4.344 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.413 13.768 -4.161 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.909 13.912 -2.489 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.525 12.155 -2.529 1.00 0.00 H new ATOM 0 HD3 ARG A 91 7.970 11.367 -2.344 1.00 0.00 H new ATOM 0 HE ARG A 91 9.020 11.668 -5.107 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.470 9.580 -2.308 1.00 0.00 H new ATOM 0 HH12 ARG A 91 8.653 8.093 -3.245 1.00 0.00 H new ATOM 0 HH21 ARG A 91 9.213 9.759 -6.296 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.071 8.194 -5.488 1.00 0.00 H new ATOM 1306 N GLY A 92 6.172 13.047 -6.722 1.00 0.00 N ATOM 1307 CA GLY A 92 6.754 12.829 -8.027 1.00 0.00 C ATOM 1308 C GLY A 92 7.561 11.551 -8.051 1.00 0.00 C ATOM 1309 O GLY A 92 7.361 10.678 -7.205 1.00 0.00 O ATOM 0 H GLY A 92 5.543 12.307 -6.410 1.00 0.00 H new ATOM 0 HA2 GLY A 92 5.965 12.780 -8.778 1.00 0.00 H new ATOM 0 HA3 GLY A 92 7.393 13.672 -8.290 1.00 0.00 H new ATOM 1313 N GLY A 93 8.474 11.440 -8.999 1.00 0.00 N ATOM 1314 CA GLY A 93 9.324 10.272 -9.082 1.00 0.00 C ATOM 1315 C GLY A 93 10.362 10.429 -10.165 1.00 0.00 C ATOM 1316 O GLY A 93 10.662 11.588 -10.519 1.00 0.00 O ATOM 1317 OXT GLY A 93 10.888 9.412 -10.659 1.00 0.00 O ATOM 0 H GLY A 93 8.644 12.143 -9.718 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.817 10.109 -8.123 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.716 9.390 -9.282 1.00 0.00 H new TER 1321 GLY A 93