USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 610 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 25 SER OG : rot 71:sc= 0.195 USER MOD Set 1.2: A 29 SER OG : rot 113:sc= 1.3 USER MOD Set 2.1: A 14 HIS : no HE2:sc= -4.06! C(o=-4.1!,f=-7.9!) USER MOD Set 2.2: A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -82:sc= 0.26 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.538 K(o=-0.54,f=-1.2) USER MOD Single : A 18 LYS NZ :NH3+ -113:sc= 0.409 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= -0.0437 X(o=-0.044,f=-0.044) USER MOD Single : A 22 HIS : no HE2:sc= -0.857 K(o=-0.86,f=-1.5) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc=-0.00206 X(o=-0.0021,f=-0.0018) USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -3.2! C(o=-3.2!,f=-4!) USER MOD Single : A 39 GLN : amide:sc= -0.436 X(o=-0.44,f=0) USER MOD Single : A 49 GLN : amide:sc=-0.000616 K(o=-0.00062,f=-1.3) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0.234 K(o=0.23,f=-3.4) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -156:sc= 0.0193 (180deg=-0.0785) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0759) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot -160:sc= -0.927 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.209 K(o=-0.21,f=-2.5!) USER MOD Single : A 77 CYS SG : rot 87:sc= 0.0759 USER MOD Single : A 80 MET CE :methyl -158:sc= 0 (180deg=-0.29) USER MOD Single : A 84 LYS NZ :NH3+ -162:sc= -0.0435 (180deg=-0.313) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 6.109 10.874 11.148 1.00 0.00 N ATOM 60 CA GLY A 7 5.008 9.940 11.001 1.00 0.00 C ATOM 61 C GLY A 7 3.658 10.629 11.022 1.00 0.00 C ATOM 62 O GLY A 7 3.571 11.836 11.252 1.00 0.00 O ATOM 0 HA2 GLY A 7 5.120 9.395 10.064 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.050 9.204 11.804 1.00 0.00 H new ATOM 66 N LEU A 8 2.600 9.861 10.781 1.00 0.00 N ATOM 67 CA LEU A 8 1.247 10.405 10.772 1.00 0.00 C ATOM 68 C LEU A 8 0.270 9.445 11.445 1.00 0.00 C ATOM 69 O LEU A 8 0.443 8.227 11.391 1.00 0.00 O ATOM 70 CB LEU A 8 0.798 10.685 9.337 1.00 0.00 C ATOM 71 CG LEU A 8 0.940 9.524 8.351 1.00 0.00 C ATOM 72 CD1 LEU A 8 -0.128 9.608 7.271 1.00 0.00 C ATOM 73 CD2 LEU A 8 2.329 9.519 7.731 1.00 0.00 C ATOM 0 H LEU A 8 2.654 8.861 10.589 1.00 0.00 H new ATOM 0 HA LEU A 8 1.254 11.340 11.333 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.248 10.992 9.358 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.371 11.531 8.957 1.00 0.00 H new ATOM 0 HG LEU A 8 0.804 8.590 8.896 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.012 8.774 6.579 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.115 9.563 7.731 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.024 10.548 6.728 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.413 8.687 7.032 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.494 10.457 7.200 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.077 9.410 8.516 1.00 0.00 H new ATOM 85 N THR A 9 -0.759 10.002 12.076 1.00 0.00 N ATOM 86 CA THR A 9 -1.764 9.197 12.758 1.00 0.00 C ATOM 87 C THR A 9 -3.015 9.038 11.902 1.00 0.00 C ATOM 88 O THR A 9 -3.890 9.904 11.898 1.00 0.00 O ATOM 89 CB THR A 9 -2.157 9.817 14.112 1.00 0.00 C ATOM 90 OG1 THR A 9 -0.988 10.031 14.911 1.00 0.00 O ATOM 91 CG2 THR A 9 -3.130 8.916 14.858 1.00 0.00 C ATOM 0 H THR A 9 -0.918 11.008 12.129 1.00 0.00 H new ATOM 0 HA THR A 9 -1.319 8.217 12.931 1.00 0.00 H new ATOM 0 HB THR A 9 -2.645 10.773 13.921 1.00 0.00 H new ATOM 0 HG1 THR A 9 -1.246 10.427 15.769 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.393 9.375 15.811 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.031 8.780 14.260 1.00 0.00 H new ATOM 0 HG23 THR A 9 -2.664 7.947 15.038 1.00 0.00 H new ATOM 99 N VAL A 10 -3.094 7.926 11.178 1.00 0.00 N ATOM 100 CA VAL A 10 -4.240 7.653 10.319 1.00 0.00 C ATOM 101 C VAL A 10 -4.920 6.346 10.709 1.00 0.00 C ATOM 102 O VAL A 10 -4.259 5.335 10.946 1.00 0.00 O ATOM 103 CB VAL A 10 -3.825 7.581 8.837 1.00 0.00 C ATOM 104 CG1 VAL A 10 -2.630 6.657 8.661 1.00 0.00 C ATOM 105 CG2 VAL A 10 -4.995 7.123 7.979 1.00 0.00 C ATOM 0 H VAL A 10 -2.378 7.200 11.169 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.940 8.477 10.453 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.533 8.579 8.510 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.352 6.619 7.608 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.790 7.033 9.245 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.891 5.656 9.004 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.685 7.078 6.935 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.320 6.135 8.304 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.820 7.828 8.082 1.00 0.00 H new ATOM 115 N THR A 11 -6.248 6.373 10.774 1.00 0.00 N ATOM 116 CA THR A 11 -7.020 5.190 11.136 1.00 0.00 C ATOM 117 C THR A 11 -7.201 4.264 9.939 1.00 0.00 C ATOM 118 O THR A 11 -7.293 4.718 8.798 1.00 0.00 O ATOM 119 CB THR A 11 -8.405 5.572 11.690 1.00 0.00 C ATOM 120 OG1 THR A 11 -8.261 6.260 12.937 1.00 0.00 O ATOM 121 CG2 THR A 11 -9.270 4.335 11.883 1.00 0.00 C ATOM 0 H THR A 11 -6.811 7.201 10.581 1.00 0.00 H new ATOM 0 HA THR A 11 -6.457 4.670 11.911 1.00 0.00 H new ATOM 0 HB THR A 11 -8.893 6.228 10.969 1.00 0.00 H new ATOM 0 HG1 THR A 11 -8.142 5.608 13.659 1.00 0.00 H new ATOM 0 HG21 THR A 11 -10.244 4.629 12.275 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.402 3.830 10.926 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.785 3.658 12.586 1.00 0.00 H new ATOM 129 N VAL A 12 -7.252 2.963 10.205 1.00 0.00 N ATOM 130 CA VAL A 12 -7.425 1.973 9.149 1.00 0.00 C ATOM 131 C VAL A 12 -8.627 1.077 9.427 1.00 0.00 C ATOM 132 O VAL A 12 -8.599 0.244 10.334 1.00 0.00 O ATOM 133 CB VAL A 12 -6.169 1.094 8.993 1.00 0.00 C ATOM 134 CG1 VAL A 12 -6.466 -0.111 8.115 1.00 0.00 C ATOM 135 CG2 VAL A 12 -5.017 1.908 8.424 1.00 0.00 C ATOM 0 H VAL A 12 -7.176 2.570 11.143 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.592 2.524 8.223 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.876 0.731 9.978 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.567 -0.720 8.016 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.259 -0.705 8.569 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.785 0.227 7.129 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.138 1.272 8.320 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.297 2.301 7.447 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.789 2.735 9.096 1.00 0.00 H new ATOM 145 N THR A 13 -9.684 1.253 8.640 1.00 0.00 N ATOM 146 CA THR A 13 -10.897 0.462 8.801 1.00 0.00 C ATOM 147 C THR A 13 -10.738 -0.921 8.179 1.00 0.00 C ATOM 148 O THR A 13 -10.778 -1.072 6.958 1.00 0.00 O ATOM 149 CB THR A 13 -12.113 1.162 8.165 1.00 0.00 C ATOM 150 OG1 THR A 13 -12.340 2.424 8.801 1.00 0.00 O ATOM 151 CG2 THR A 13 -13.358 0.297 8.283 1.00 0.00 C ATOM 0 H THR A 13 -9.724 1.937 7.884 1.00 0.00 H new ATOM 0 HA THR A 13 -11.067 0.358 9.873 1.00 0.00 H new ATOM 0 HB THR A 13 -11.900 1.322 7.108 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.114 2.863 8.390 1.00 0.00 H new ATOM 0 HG21 THR A 13 -14.203 0.812 7.827 1.00 0.00 H new ATOM 0 HG22 THR A 13 -13.192 -0.651 7.772 1.00 0.00 H new ATOM 0 HG23 THR A 13 -13.572 0.109 9.335 1.00 0.00 H new ATOM 159 N HIS A 14 -10.558 -1.929 9.027 1.00 0.00 N ATOM 160 CA HIS A 14 -10.394 -3.301 8.560 1.00 0.00 C ATOM 161 C HIS A 14 -11.241 -4.262 9.389 1.00 0.00 C ATOM 162 O HIS A 14 -11.562 -3.982 10.544 1.00 0.00 O ATOM 163 CB HIS A 14 -8.923 -3.712 8.625 1.00 0.00 C ATOM 164 CG HIS A 14 -8.657 -5.075 8.064 1.00 0.00 C ATOM 165 ND1 HIS A 14 -8.496 -6.195 8.852 1.00 0.00 N ATOM 166 CD2 HIS A 14 -8.525 -5.494 6.784 1.00 0.00 C ATOM 167 CE1 HIS A 14 -8.275 -7.244 8.081 1.00 0.00 C ATOM 168 NE2 HIS A 14 -8.288 -6.847 6.821 1.00 0.00 N ATOM 0 H HIS A 14 -10.522 -1.821 10.041 1.00 0.00 H new ATOM 0 HA HIS A 14 -10.731 -3.349 7.524 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -8.326 -2.981 8.080 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -8.592 -3.684 9.663 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -8.541 -6.211 9.871 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -8.593 -4.880 5.898 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -8.111 -8.255 8.423 1.00 0.00 H new ATOM 177 N SER A 15 -11.599 -5.394 8.792 1.00 0.00 N ATOM 178 CA SER A 15 -12.412 -6.394 9.474 1.00 0.00 C ATOM 179 C SER A 15 -13.630 -5.750 10.128 1.00 0.00 C ATOM 180 O SER A 15 -13.962 -6.046 11.275 1.00 0.00 O ATOM 181 CB SER A 15 -11.580 -7.125 10.529 1.00 0.00 C ATOM 182 OG SER A 15 -10.878 -8.216 9.959 1.00 0.00 O ATOM 0 H SER A 15 -11.339 -5.642 7.837 1.00 0.00 H new ATOM 0 HA SER A 15 -12.758 -7.113 8.731 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.873 -6.431 10.984 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.231 -7.484 11.326 1.00 0.00 H new ATOM 0 HG SER A 15 -10.353 -8.666 10.653 1.00 0.00 H new ATOM 188 N ASN A 16 -14.292 -4.865 9.389 1.00 0.00 N ATOM 189 CA ASN A 16 -15.474 -4.178 9.896 1.00 0.00 C ATOM 190 C ASN A 16 -15.197 -3.554 11.260 1.00 0.00 C ATOM 191 O ASN A 16 -16.110 -3.366 12.064 1.00 0.00 O ATOM 192 CB ASN A 16 -16.652 -5.150 9.997 1.00 0.00 C ATOM 193 CG ASN A 16 -17.959 -4.444 10.302 1.00 0.00 C ATOM 194 OD1 ASN A 16 -18.214 -3.345 9.809 1.00 0.00 O ATOM 195 ND2 ASN A 16 -18.795 -5.075 11.119 1.00 0.00 N ATOM 0 H ASN A 16 -14.030 -4.607 8.438 1.00 0.00 H new ATOM 0 HA ASN A 16 -15.728 -3.382 9.196 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -16.748 -5.698 9.060 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -16.448 -5.884 10.777 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -19.690 -4.650 11.361 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -18.542 -5.985 11.504 1.00 0.00 H new ATOM 202 N GLU A 17 -13.932 -3.234 11.513 1.00 0.00 N ATOM 203 CA GLU A 17 -13.535 -2.632 12.780 1.00 0.00 C ATOM 204 C GLU A 17 -12.653 -1.408 12.548 1.00 0.00 C ATOM 205 O GLU A 17 -12.184 -1.168 11.435 1.00 0.00 O ATOM 206 CB GLU A 17 -12.793 -3.653 13.645 1.00 0.00 C ATOM 207 CG GLU A 17 -13.658 -4.821 14.086 1.00 0.00 C ATOM 208 CD GLU A 17 -14.374 -4.556 15.396 1.00 0.00 C ATOM 209 OE1 GLU A 17 -15.397 -3.840 15.380 1.00 0.00 O ATOM 210 OE2 GLU A 17 -13.910 -5.065 16.438 1.00 0.00 O ATOM 0 H GLU A 17 -13.165 -3.382 10.857 1.00 0.00 H new ATOM 0 HA GLU A 17 -14.438 -2.314 13.301 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.938 -4.035 13.088 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.399 -3.150 14.528 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -14.394 -5.036 13.311 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.036 -5.710 14.190 1.00 0.00 H new ATOM 217 N LYS A 18 -12.432 -0.637 13.607 1.00 0.00 N ATOM 218 CA LYS A 18 -11.606 0.562 13.522 1.00 0.00 C ATOM 219 C LYS A 18 -10.317 0.393 14.319 1.00 0.00 C ATOM 220 O LYS A 18 -10.339 -0.046 15.469 1.00 0.00 O ATOM 221 CB LYS A 18 -12.381 1.777 14.037 1.00 0.00 C ATOM 222 CG LYS A 18 -11.719 3.104 13.708 1.00 0.00 C ATOM 223 CD LYS A 18 -10.764 3.539 14.808 1.00 0.00 C ATOM 224 CE LYS A 18 -11.514 3.954 16.065 1.00 0.00 C ATOM 225 NZ LYS A 18 -10.611 4.588 17.065 1.00 0.00 N ATOM 0 H LYS A 18 -12.814 -0.821 14.535 1.00 0.00 H new ATOM 0 HA LYS A 18 -11.347 0.721 12.475 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.384 1.765 13.611 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.493 1.694 15.118 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.176 3.017 12.767 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -12.484 3.868 13.566 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -10.082 2.722 15.043 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -10.155 4.371 14.455 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -12.309 4.651 15.800 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.991 3.080 16.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.533 3.974 17.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.669 4.723 16.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.999 5.510 17.348 1.00 0.00 H new ATOM 239 N HIS A 19 -9.194 0.744 13.700 1.00 0.00 N ATOM 240 CA HIS A 19 -7.894 0.633 14.354 1.00 0.00 C ATOM 241 C HIS A 19 -7.014 1.834 14.021 1.00 0.00 C ATOM 242 O HIS A 19 -6.928 2.252 12.866 1.00 0.00 O ATOM 243 CB HIS A 19 -7.196 -0.659 13.929 1.00 0.00 C ATOM 244 CG HIS A 19 -7.907 -1.899 14.377 1.00 0.00 C ATOM 245 ND1 HIS A 19 -7.870 -2.360 15.676 1.00 0.00 N ATOM 246 CD2 HIS A 19 -8.677 -2.775 13.690 1.00 0.00 C ATOM 247 CE1 HIS A 19 -8.586 -3.466 15.769 1.00 0.00 C ATOM 248 NE2 HIS A 19 -9.086 -3.740 14.578 1.00 0.00 N ATOM 0 H HIS A 19 -9.158 1.107 12.748 1.00 0.00 H new ATOM 0 HA HIS A 19 -8.057 0.612 15.432 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -7.107 -0.674 12.843 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -6.183 -0.665 14.332 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -8.924 -2.725 12.640 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -8.737 -4.047 16.667 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -9.680 -4.539 14.354 1.00 0.00 H new ATOM 257 N ASP A 20 -6.363 2.384 15.039 1.00 0.00 N ATOM 258 CA ASP A 20 -5.489 3.537 14.855 1.00 0.00 C ATOM 259 C ASP A 20 -4.043 3.096 14.653 1.00 0.00 C ATOM 260 O ASP A 20 -3.519 2.282 15.414 1.00 0.00 O ATOM 261 CB ASP A 20 -5.586 4.475 16.059 1.00 0.00 C ATOM 262 CG ASP A 20 -7.017 4.696 16.508 1.00 0.00 C ATOM 263 OD1 ASP A 20 -7.892 4.872 15.634 1.00 0.00 O ATOM 264 OD2 ASP A 20 -7.262 4.695 17.732 1.00 0.00 O ATOM 0 H ASP A 20 -6.424 2.050 16.001 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.815 4.070 13.962 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.009 4.061 16.886 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.136 5.435 15.805 1.00 0.00 H new ATOM 269 N LEU A 21 -3.403 3.637 13.622 1.00 0.00 N ATOM 270 CA LEU A 21 -2.017 3.299 13.318 1.00 0.00 C ATOM 271 C LEU A 21 -1.187 4.558 13.090 1.00 0.00 C ATOM 272 O LEU A 21 -1.657 5.525 12.490 1.00 0.00 O ATOM 273 CB LEU A 21 -1.950 2.399 12.083 1.00 0.00 C ATOM 274 CG LEU A 21 -2.950 1.244 12.039 1.00 0.00 C ATOM 275 CD1 LEU A 21 -2.909 0.553 10.684 1.00 0.00 C ATOM 276 CD2 LEU A 21 -2.666 0.250 13.155 1.00 0.00 C ATOM 0 H LEU A 21 -3.822 4.312 12.982 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.603 2.764 14.173 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.101 3.018 11.199 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.944 1.985 12.014 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.951 1.650 12.187 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.628 -0.267 10.672 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.162 1.269 9.902 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.908 0.160 10.506 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.388 -0.566 13.108 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.659 -0.150 13.039 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.748 0.752 14.119 1.00 0.00 H new ATOM 288 N HIS A 22 0.052 4.539 13.572 1.00 0.00 N ATOM 289 CA HIS A 22 0.950 5.678 13.418 1.00 0.00 C ATOM 290 C HIS A 22 2.025 5.386 12.376 1.00 0.00 C ATOM 291 O HIS A 22 3.025 4.730 12.668 1.00 0.00 O ATOM 292 CB HIS A 22 1.602 6.025 14.757 1.00 0.00 C ATOM 293 CG HIS A 22 2.736 6.995 14.638 1.00 0.00 C ATOM 294 ND1 HIS A 22 3.813 7.004 15.499 1.00 0.00 N ATOM 295 CD2 HIS A 22 2.959 7.991 13.749 1.00 0.00 C ATOM 296 CE1 HIS A 22 4.648 7.965 15.147 1.00 0.00 C ATOM 297 NE2 HIS A 22 4.154 8.579 14.087 1.00 0.00 N ATOM 0 H HIS A 22 0.457 3.748 14.072 1.00 0.00 H new ATOM 0 HA HIS A 22 0.361 6.530 13.077 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.846 6.442 15.422 1.00 0.00 H new ATOM 0 HB3 HIS A 22 1.966 5.109 15.223 1.00 0.00 H new ATOM 0 HD1 HIS A 22 3.944 6.368 16.285 1.00 0.00 H new ATOM 0 HD2 HIS A 22 2.317 8.271 12.927 1.00 0.00 H new ATOM 0 HE1 HIS A 22 5.577 8.208 15.642 1.00 0.00 H new ATOM 306 N VAL A 23 1.812 5.877 11.159 1.00 0.00 N ATOM 307 CA VAL A 23 2.763 5.669 10.074 1.00 0.00 C ATOM 308 C VAL A 23 4.098 6.340 10.376 1.00 0.00 C ATOM 309 O VAL A 23 4.144 7.501 10.785 1.00 0.00 O ATOM 310 CB VAL A 23 2.218 6.211 8.739 1.00 0.00 C ATOM 311 CG1 VAL A 23 3.028 5.668 7.572 1.00 0.00 C ATOM 312 CG2 VAL A 23 0.745 5.864 8.585 1.00 0.00 C ATOM 0 H VAL A 23 0.989 6.421 10.900 1.00 0.00 H new ATOM 0 HA VAL A 23 2.913 4.593 9.987 1.00 0.00 H new ATOM 0 HB VAL A 23 2.313 7.297 8.741 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.628 6.062 6.637 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.069 5.973 7.679 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.968 4.580 7.562 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.376 6.255 7.636 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.622 4.781 8.604 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.179 6.307 9.404 1.00 0.00 H new ATOM 322 N THR A 24 5.185 5.602 10.173 1.00 0.00 N ATOM 323 CA THR A 24 6.522 6.125 10.424 1.00 0.00 C ATOM 324 C THR A 24 7.444 5.870 9.237 1.00 0.00 C ATOM 325 O THR A 24 7.361 4.827 8.588 1.00 0.00 O ATOM 326 CB THR A 24 7.142 5.497 11.686 1.00 0.00 C ATOM 327 OG1 THR A 24 7.029 4.070 11.630 1.00 0.00 O ATOM 328 CG2 THR A 24 6.458 6.016 12.941 1.00 0.00 C ATOM 0 H THR A 24 5.165 4.640 9.835 1.00 0.00 H new ATOM 0 HA THR A 24 6.418 7.199 10.575 1.00 0.00 H new ATOM 0 HB THR A 24 8.195 5.776 11.724 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.427 3.678 12.435 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.913 5.558 13.819 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.572 7.099 12.996 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.398 5.764 12.908 1.00 0.00 H new ATOM 336 N SER A 25 8.322 6.828 8.959 1.00 0.00 N ATOM 337 CA SER A 25 9.258 6.708 7.848 1.00 0.00 C ATOM 338 C SER A 25 10.076 5.425 7.962 1.00 0.00 C ATOM 339 O SER A 25 10.081 4.771 9.005 1.00 0.00 O ATOM 340 CB SER A 25 10.192 7.919 7.807 1.00 0.00 C ATOM 341 OG SER A 25 11.116 7.815 6.737 1.00 0.00 O ATOM 0 H SER A 25 8.405 7.696 9.488 1.00 0.00 H new ATOM 0 HA SER A 25 8.682 6.670 6.923 1.00 0.00 H new ATOM 0 HB2 SER A 25 9.605 8.831 7.698 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.731 7.998 8.751 1.00 0.00 H new ATOM 0 HG SER A 25 10.647 7.943 5.886 1.00 0.00 H new ATOM 347 N GLN A 26 10.765 5.071 6.882 1.00 0.00 N ATOM 348 CA GLN A 26 11.585 3.866 6.860 1.00 0.00 C ATOM 349 C GLN A 26 13.036 4.189 7.204 1.00 0.00 C ATOM 350 O GLN A 26 13.961 3.661 6.587 1.00 0.00 O ATOM 351 CB GLN A 26 11.510 3.197 5.487 1.00 0.00 C ATOM 352 CG GLN A 26 10.236 2.397 5.268 1.00 0.00 C ATOM 353 CD GLN A 26 10.264 1.053 5.969 1.00 0.00 C ATOM 354 OE1 GLN A 26 10.816 0.082 5.453 1.00 0.00 O ATOM 355 NE2 GLN A 26 9.666 0.991 7.154 1.00 0.00 N ATOM 0 H GLN A 26 10.772 5.602 6.011 1.00 0.00 H new ATOM 0 HA GLN A 26 11.197 3.179 7.612 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.586 3.962 4.715 1.00 0.00 H new ATOM 0 HB3 GLN A 26 12.369 2.537 5.367 1.00 0.00 H new ATOM 0 HG2 GLN A 26 9.383 2.973 5.628 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.088 2.242 4.199 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.220 1.821 7.544 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.653 0.113 7.673 1.00 0.00 H new ATOM 364 N GLN A 27 13.226 5.059 8.190 1.00 0.00 N ATOM 365 CA GLN A 27 14.564 5.452 8.614 1.00 0.00 C ATOM 366 C GLN A 27 15.501 5.573 7.416 1.00 0.00 C ATOM 367 O GLN A 27 16.676 5.220 7.496 1.00 0.00 O ATOM 368 CB GLN A 27 15.124 4.438 9.614 1.00 0.00 C ATOM 369 CG GLN A 27 14.275 4.285 10.865 1.00 0.00 C ATOM 370 CD GLN A 27 14.862 3.294 11.851 1.00 0.00 C ATOM 371 OE1 GLN A 27 16.036 2.932 11.761 1.00 0.00 O ATOM 372 NE2 GLN A 27 14.047 2.849 12.800 1.00 0.00 N ATOM 0 H GLN A 27 12.470 5.505 8.710 1.00 0.00 H new ATOM 0 HA GLN A 27 14.493 6.427 9.097 1.00 0.00 H new ATOM 0 HB2 GLN A 27 15.213 3.468 9.124 1.00 0.00 H new ATOM 0 HB3 GLN A 27 16.130 4.742 9.903 1.00 0.00 H new ATOM 0 HG2 GLN A 27 14.171 5.256 11.350 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.273 3.961 10.582 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.081 3.176 12.837 1.00 0.00 H new ATOM 0 HE22 GLN A 27 14.387 2.181 13.492 1.00 0.00 H new ATOM 381 N GLY A 28 14.970 6.076 6.305 1.00 0.00 N ATOM 382 CA GLY A 28 15.773 6.235 5.107 1.00 0.00 C ATOM 383 C GLY A 28 15.073 7.062 4.046 1.00 0.00 C ATOM 384 O GLY A 28 15.259 6.836 2.850 1.00 0.00 O ATOM 0 H GLY A 28 13.999 6.376 6.214 1.00 0.00 H new ATOM 0 HA2 GLY A 28 16.719 6.709 5.368 1.00 0.00 H new ATOM 0 HA3 GLY A 28 16.011 5.252 4.699 1.00 0.00 H new ATOM 388 N SER A 29 14.265 8.022 4.484 1.00 0.00 N ATOM 389 CA SER A 29 13.531 8.882 3.564 1.00 0.00 C ATOM 390 C SER A 29 13.052 10.148 4.268 1.00 0.00 C ATOM 391 O SER A 29 12.576 10.099 5.402 1.00 0.00 O ATOM 392 CB SER A 29 12.336 8.131 2.973 1.00 0.00 C ATOM 393 OG SER A 29 11.326 7.933 3.947 1.00 0.00 O ATOM 0 H SER A 29 14.102 8.224 5.471 1.00 0.00 H new ATOM 0 HA SER A 29 14.206 9.169 2.758 1.00 0.00 H new ATOM 0 HB2 SER A 29 11.929 8.693 2.132 1.00 0.00 H new ATOM 0 HB3 SER A 29 12.664 7.167 2.584 1.00 0.00 H new ATOM 0 HG SER A 29 10.535 8.460 3.710 1.00 0.00 H new ATOM 399 N SER A 30 13.184 11.282 3.587 1.00 0.00 N ATOM 400 CA SER A 30 12.769 12.563 4.147 1.00 0.00 C ATOM 401 C SER A 30 11.352 12.478 4.705 1.00 0.00 C ATOM 402 O SER A 30 11.032 13.106 5.714 1.00 0.00 O ATOM 403 CB SER A 30 12.846 13.658 3.082 1.00 0.00 C ATOM 404 OG SER A 30 14.143 13.730 2.516 1.00 0.00 O ATOM 0 H SER A 30 13.575 11.340 2.647 1.00 0.00 H new ATOM 0 HA SER A 30 13.447 12.812 4.963 1.00 0.00 H new ATOM 0 HB2 SER A 30 12.115 13.459 2.299 1.00 0.00 H new ATOM 0 HB3 SER A 30 12.585 14.619 3.525 1.00 0.00 H new ATOM 0 HG SER A 30 14.165 14.436 1.837 1.00 0.00 H new ATOM 410 N GLU A 31 10.506 11.697 4.040 1.00 0.00 N ATOM 411 CA GLU A 31 9.123 11.530 4.468 1.00 0.00 C ATOM 412 C GLU A 31 8.618 10.127 4.145 1.00 0.00 C ATOM 413 O GLU A 31 9.064 9.484 3.195 1.00 0.00 O ATOM 414 CB GLU A 31 8.228 12.574 3.796 1.00 0.00 C ATOM 415 CG GLU A 31 8.351 12.596 2.282 1.00 0.00 C ATOM 416 CD GLU A 31 7.088 13.088 1.601 1.00 0.00 C ATOM 417 OE1 GLU A 31 6.021 12.478 1.819 1.00 0.00 O ATOM 418 OE2 GLU A 31 7.168 14.083 0.851 1.00 0.00 O ATOM 0 H GLU A 31 10.755 11.170 3.203 1.00 0.00 H new ATOM 0 HA GLU A 31 9.085 11.671 5.548 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.190 12.378 4.065 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.478 13.560 4.187 1.00 0.00 H new ATOM 0 HG2 GLU A 31 9.186 13.237 1.998 1.00 0.00 H new ATOM 0 HG3 GLU A 31 8.584 11.593 1.926 1.00 0.00 H new ATOM 425 N PRO A 32 7.665 9.640 4.953 1.00 0.00 N ATOM 426 CA PRO A 32 7.078 8.309 4.774 1.00 0.00 C ATOM 427 C PRO A 32 6.202 8.225 3.529 1.00 0.00 C ATOM 428 O PRO A 32 5.738 9.243 3.013 1.00 0.00 O ATOM 429 CB PRO A 32 6.233 8.121 6.036 1.00 0.00 C ATOM 430 CG PRO A 32 5.904 9.503 6.482 1.00 0.00 C ATOM 431 CD PRO A 32 7.086 10.353 6.105 1.00 0.00 C ATOM 0 HA PRO A 32 7.841 7.542 4.637 1.00 0.00 H new ATOM 0 HB2 PRO A 32 5.330 7.548 5.826 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.784 7.578 6.804 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.995 9.863 6.000 1.00 0.00 H new ATOM 0 HG3 PRO A 32 5.728 9.534 7.557 1.00 0.00 H new ATOM 0 HD2 PRO A 32 6.784 11.366 5.840 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.799 10.437 6.925 1.00 0.00 H new ATOM 439 N VAL A 33 5.977 7.006 3.050 1.00 0.00 N ATOM 440 CA VAL A 33 5.155 6.789 1.866 1.00 0.00 C ATOM 441 C VAL A 33 4.158 5.657 2.089 1.00 0.00 C ATOM 442 O VAL A 33 4.131 5.040 3.154 1.00 0.00 O ATOM 443 CB VAL A 33 6.019 6.462 0.634 1.00 0.00 C ATOM 444 CG1 VAL A 33 6.941 7.626 0.304 1.00 0.00 C ATOM 445 CG2 VAL A 33 6.818 5.188 0.867 1.00 0.00 C ATOM 0 H VAL A 33 6.353 6.153 3.464 1.00 0.00 H new ATOM 0 HA VAL A 33 4.613 7.717 1.684 1.00 0.00 H new ATOM 0 HB VAL A 33 5.359 6.300 -0.218 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.544 7.377 -0.569 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.345 8.514 0.092 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.596 7.823 1.153 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.423 4.972 -0.014 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.469 5.320 1.731 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.135 4.359 1.051 1.00 0.00 H new ATOM 455 N VAL A 34 3.340 5.387 1.076 1.00 0.00 N ATOM 456 CA VAL A 34 2.342 4.328 1.160 1.00 0.00 C ATOM 457 C VAL A 34 2.968 3.020 1.632 1.00 0.00 C ATOM 458 O VAL A 34 2.358 2.269 2.393 1.00 0.00 O ATOM 459 CB VAL A 34 1.656 4.094 -0.199 1.00 0.00 C ATOM 460 CG1 VAL A 34 0.814 2.828 -0.161 1.00 0.00 C ATOM 461 CG2 VAL A 34 0.807 5.298 -0.581 1.00 0.00 C ATOM 0 H VAL A 34 3.349 5.888 0.187 1.00 0.00 H new ATOM 0 HA VAL A 34 1.595 4.653 1.884 1.00 0.00 H new ATOM 0 HB VAL A 34 2.427 3.966 -0.959 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.337 2.679 -1.130 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.452 1.973 0.065 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.049 2.923 0.609 1.00 0.00 H new ATOM 0 HG21 VAL A 34 0.330 5.116 -1.544 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.042 5.460 0.179 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.440 6.182 -0.652 1.00 0.00 H new ATOM 471 N GLN A 35 4.188 2.755 1.177 1.00 0.00 N ATOM 472 CA GLN A 35 4.896 1.538 1.553 1.00 0.00 C ATOM 473 C GLN A 35 4.832 1.315 3.060 1.00 0.00 C ATOM 474 O GLN A 35 4.487 0.227 3.523 1.00 0.00 O ATOM 475 CB GLN A 35 6.355 1.609 1.097 1.00 0.00 C ATOM 476 CG GLN A 35 7.071 0.269 1.138 1.00 0.00 C ATOM 477 CD GLN A 35 6.294 -0.829 0.439 1.00 0.00 C ATOM 478 OE1 GLN A 35 6.544 -1.138 -0.727 1.00 0.00 O ATOM 479 NE2 GLN A 35 5.344 -1.427 1.149 1.00 0.00 N ATOM 0 H GLN A 35 4.707 3.367 0.547 1.00 0.00 H new ATOM 0 HA GLN A 35 4.409 0.697 1.059 1.00 0.00 H new ATOM 0 HB2 GLN A 35 6.390 2.000 0.080 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.891 2.317 1.729 1.00 0.00 H new ATOM 0 HG2 GLN A 35 8.050 0.370 0.670 1.00 0.00 H new ATOM 0 HG3 GLN A 35 7.241 -0.016 2.176 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.170 -1.140 2.112 1.00 0.00 H new ATOM 0 HE22 GLN A 35 4.789 -2.173 0.731 1.00 0.00 H new ATOM 488 N ASP A 36 5.167 2.351 3.821 1.00 0.00 N ATOM 489 CA ASP A 36 5.147 2.269 5.277 1.00 0.00 C ATOM 490 C ASP A 36 3.749 1.926 5.783 1.00 0.00 C ATOM 491 O ASP A 36 3.588 1.096 6.679 1.00 0.00 O ATOM 492 CB ASP A 36 5.615 3.589 5.890 1.00 0.00 C ATOM 493 CG ASP A 36 6.831 4.157 5.184 1.00 0.00 C ATOM 494 OD1 ASP A 36 6.791 4.280 3.942 1.00 0.00 O ATOM 495 OD2 ASP A 36 7.820 4.479 5.873 1.00 0.00 O ATOM 0 H ASP A 36 5.456 3.258 3.454 1.00 0.00 H new ATOM 0 HA ASP A 36 5.829 1.475 5.581 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.802 4.314 5.848 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.849 3.434 6.943 1.00 0.00 H new ATOM 500 N LEU A 37 2.742 2.570 5.205 1.00 0.00 N ATOM 501 CA LEU A 37 1.357 2.335 5.597 1.00 0.00 C ATOM 502 C LEU A 37 1.010 0.852 5.506 1.00 0.00 C ATOM 503 O LEU A 37 0.517 0.260 6.465 1.00 0.00 O ATOM 504 CB LEU A 37 0.410 3.148 4.713 1.00 0.00 C ATOM 505 CG LEU A 37 -1.019 2.618 4.595 1.00 0.00 C ATOM 506 CD1 LEU A 37 -1.661 2.501 5.968 1.00 0.00 C ATOM 507 CD2 LEU A 37 -1.849 3.518 3.691 1.00 0.00 C ATOM 0 H LEU A 37 2.858 3.260 4.463 1.00 0.00 H new ATOM 0 HA LEU A 37 1.239 2.654 6.633 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.368 4.166 5.100 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.839 3.205 3.712 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.981 1.624 4.149 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.678 2.122 5.863 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.080 1.815 6.584 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.686 3.482 6.443 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.863 3.125 3.619 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.879 4.525 4.108 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.400 3.550 2.698 1.00 0.00 H new ATOM 519 N ALA A 38 1.272 0.259 4.345 1.00 0.00 N ATOM 520 CA ALA A 38 0.991 -1.155 4.130 1.00 0.00 C ATOM 521 C ALA A 38 1.708 -2.020 5.161 1.00 0.00 C ATOM 522 O ALA A 38 1.175 -3.034 5.610 1.00 0.00 O ATOM 523 CB ALA A 38 1.395 -1.564 2.721 1.00 0.00 C ATOM 0 H ALA A 38 1.678 0.736 3.540 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.081 -1.310 4.248 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.180 -2.622 2.574 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.833 -0.975 1.996 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.462 -1.388 2.583 1.00 0.00 H new ATOM 529 N GLN A 39 2.918 -1.613 5.529 1.00 0.00 N ATOM 530 CA GLN A 39 3.708 -2.354 6.506 1.00 0.00 C ATOM 531 C GLN A 39 3.094 -2.243 7.898 1.00 0.00 C ATOM 532 O GLN A 39 2.884 -3.249 8.577 1.00 0.00 O ATOM 533 CB GLN A 39 5.147 -1.836 6.528 1.00 0.00 C ATOM 534 CG GLN A 39 6.064 -2.548 5.547 1.00 0.00 C ATOM 535 CD GLN A 39 6.686 -3.800 6.134 1.00 0.00 C ATOM 536 OE1 GLN A 39 7.849 -3.798 6.539 1.00 0.00 O ATOM 537 NE2 GLN A 39 5.913 -4.879 6.183 1.00 0.00 N ATOM 0 H GLN A 39 3.373 -0.775 5.166 1.00 0.00 H new ATOM 0 HA GLN A 39 3.712 -3.404 6.212 1.00 0.00 H new ATOM 0 HB2 GLN A 39 5.144 -0.770 6.302 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.549 -1.947 7.535 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.499 -2.812 4.653 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.855 -1.866 5.234 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.955 -4.836 5.836 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.278 -5.751 6.568 1.00 0.00 H new ATOM 546 N VAL A 40 2.809 -1.015 8.318 1.00 0.00 N ATOM 547 CA VAL A 40 2.219 -0.773 9.629 1.00 0.00 C ATOM 548 C VAL A 40 1.014 -1.678 9.865 1.00 0.00 C ATOM 549 O VAL A 40 0.796 -2.161 10.976 1.00 0.00 O ATOM 550 CB VAL A 40 1.782 0.696 9.785 1.00 0.00 C ATOM 551 CG1 VAL A 40 0.982 0.882 11.066 1.00 0.00 C ATOM 552 CG2 VAL A 40 2.993 1.616 9.765 1.00 0.00 C ATOM 0 H VAL A 40 2.977 -0.172 7.769 1.00 0.00 H new ATOM 0 HA VAL A 40 2.988 -0.996 10.369 1.00 0.00 H new ATOM 0 HB VAL A 40 1.141 0.958 8.943 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.682 1.926 11.159 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.094 0.250 11.035 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.596 0.603 11.922 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.666 2.650 9.876 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.661 1.356 10.586 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.521 1.502 8.818 1.00 0.00 H new ATOM 562 N VAL A 41 0.235 -1.904 8.812 1.00 0.00 N ATOM 563 CA VAL A 41 -0.947 -2.752 8.904 1.00 0.00 C ATOM 564 C VAL A 41 -0.563 -4.201 9.183 1.00 0.00 C ATOM 565 O VAL A 41 -0.988 -4.784 10.179 1.00 0.00 O ATOM 566 CB VAL A 41 -1.781 -2.694 7.610 1.00 0.00 C ATOM 567 CG1 VAL A 41 -2.970 -3.638 7.699 1.00 0.00 C ATOM 568 CG2 VAL A 41 -2.239 -1.270 7.336 1.00 0.00 C ATOM 0 H VAL A 41 0.401 -1.512 7.885 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.546 -2.372 9.731 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.154 -3.016 6.779 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.548 -3.584 6.776 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.615 -4.658 7.845 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.601 -3.350 8.540 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.827 -1.247 6.418 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.850 -0.918 8.167 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.369 -0.623 7.226 1.00 0.00 H new ATOM 578 N GLU A 42 0.244 -4.775 8.297 1.00 0.00 N ATOM 579 CA GLU A 42 0.685 -6.157 8.448 1.00 0.00 C ATOM 580 C GLU A 42 1.549 -6.318 9.696 1.00 0.00 C ATOM 581 O GLU A 42 1.772 -7.432 10.169 1.00 0.00 O ATOM 582 CB GLU A 42 1.467 -6.605 7.212 1.00 0.00 C ATOM 583 CG GLU A 42 1.809 -8.085 7.211 1.00 0.00 C ATOM 584 CD GLU A 42 2.914 -8.428 6.232 1.00 0.00 C ATOM 585 OE1 GLU A 42 3.888 -7.651 6.140 1.00 0.00 O ATOM 586 OE2 GLU A 42 2.807 -9.474 5.557 1.00 0.00 O ATOM 0 H GLU A 42 0.606 -4.305 7.467 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.200 -6.784 8.555 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.884 -6.375 6.320 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.389 -6.028 7.147 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.112 -8.385 8.214 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.917 -8.660 6.962 1.00 0.00 H new ATOM 593 N GLU A 43 2.033 -5.197 10.222 1.00 0.00 N ATOM 594 CA GLU A 43 2.874 -5.215 11.414 1.00 0.00 C ATOM 595 C GLU A 43 2.036 -5.017 12.674 1.00 0.00 C ATOM 596 O GLU A 43 2.363 -5.541 13.739 1.00 0.00 O ATOM 597 CB GLU A 43 3.946 -4.127 11.325 1.00 0.00 C ATOM 598 CG GLU A 43 5.010 -4.404 10.276 1.00 0.00 C ATOM 599 CD GLU A 43 6.062 -5.385 10.757 1.00 0.00 C ATOM 600 OE1 GLU A 43 6.699 -5.108 11.795 1.00 0.00 O ATOM 601 OE2 GLU A 43 6.248 -6.428 10.096 1.00 0.00 O ATOM 0 H GLU A 43 1.858 -4.267 9.843 1.00 0.00 H new ATOM 0 HA GLU A 43 3.359 -6.189 11.471 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.467 -3.174 11.101 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.426 -4.021 12.298 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.535 -4.798 9.377 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.493 -3.467 9.997 1.00 0.00 H new ATOM 608 N VAL A 44 0.954 -4.255 12.544 1.00 0.00 N ATOM 609 CA VAL A 44 0.069 -3.988 13.671 1.00 0.00 C ATOM 610 C VAL A 44 -1.174 -4.869 13.615 1.00 0.00 C ATOM 611 O VAL A 44 -1.452 -5.627 14.545 1.00 0.00 O ATOM 612 CB VAL A 44 -0.365 -2.510 13.706 1.00 0.00 C ATOM 613 CG1 VAL A 44 -1.398 -2.282 14.799 1.00 0.00 C ATOM 614 CG2 VAL A 44 0.842 -1.606 13.904 1.00 0.00 C ATOM 0 H VAL A 44 0.670 -3.812 11.670 1.00 0.00 H new ATOM 0 HA VAL A 44 0.632 -4.216 14.576 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.824 -2.261 12.749 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.692 -1.233 14.808 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.273 -2.903 14.608 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.970 -2.547 15.766 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.518 -0.566 13.926 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.332 -1.854 14.846 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.543 -1.750 13.082 1.00 0.00 H new ATOM 624 N ILE A 45 -1.917 -4.766 12.519 1.00 0.00 N ATOM 625 CA ILE A 45 -3.129 -5.555 12.341 1.00 0.00 C ATOM 626 C ILE A 45 -2.812 -7.046 12.290 1.00 0.00 C ATOM 627 O ILE A 45 -3.270 -7.818 13.131 1.00 0.00 O ATOM 628 CB ILE A 45 -3.877 -5.157 11.054 1.00 0.00 C ATOM 629 CG1 ILE A 45 -4.099 -3.643 11.015 1.00 0.00 C ATOM 630 CG2 ILE A 45 -5.204 -5.894 10.963 1.00 0.00 C ATOM 631 CD1 ILE A 45 -5.097 -3.206 9.966 1.00 0.00 C ATOM 0 H ILE A 45 -1.701 -4.144 11.740 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.767 -5.350 13.201 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.268 -5.439 10.195 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.443 -3.309 11.994 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -3.146 -3.149 10.826 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.720 -5.602 10.049 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -5.023 -6.969 10.950 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -5.821 -5.640 11.825 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.204 -2.122 9.995 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.745 -3.509 8.980 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.062 -3.672 10.166 1.00 0.00 H new ATOM 643 N GLY A 46 -2.023 -7.444 11.297 1.00 0.00 N ATOM 644 CA GLY A 46 -1.656 -8.841 11.156 1.00 0.00 C ATOM 645 C GLY A 46 -2.054 -9.412 9.809 1.00 0.00 C ATOM 646 O GLY A 46 -2.074 -10.629 9.624 1.00 0.00 O ATOM 0 H GLY A 46 -1.631 -6.824 10.588 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.579 -8.946 11.288 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.132 -9.420 11.948 1.00 0.00 H new ATOM 650 N VAL A 47 -2.374 -8.531 8.866 1.00 0.00 N ATOM 651 CA VAL A 47 -2.775 -8.954 7.529 1.00 0.00 C ATOM 652 C VAL A 47 -1.667 -8.692 6.515 1.00 0.00 C ATOM 653 O VAL A 47 -1.075 -7.613 6.470 1.00 0.00 O ATOM 654 CB VAL A 47 -4.056 -8.232 7.073 1.00 0.00 C ATOM 655 CG1 VAL A 47 -4.355 -8.545 5.614 1.00 0.00 C ATOM 656 CG2 VAL A 47 -5.230 -8.617 7.960 1.00 0.00 C ATOM 0 H VAL A 47 -2.363 -7.520 9.003 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.970 -10.025 7.580 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.898 -7.157 7.165 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.264 -8.026 5.309 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.523 -8.214 4.993 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.493 -9.619 5.493 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.127 -8.097 7.623 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.392 -9.693 7.903 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.014 -8.337 8.991 1.00 0.00 H new ATOM 666 N PRO A 48 -1.379 -9.701 5.680 1.00 0.00 N ATOM 667 CA PRO A 48 -0.342 -9.603 4.649 1.00 0.00 C ATOM 668 C PRO A 48 -0.731 -8.652 3.522 1.00 0.00 C ATOM 669 O PRO A 48 -1.912 -8.492 3.214 1.00 0.00 O ATOM 670 CB PRO A 48 -0.228 -11.036 4.123 1.00 0.00 C ATOM 671 CG PRO A 48 -1.556 -11.649 4.404 1.00 0.00 C ATOM 672 CD PRO A 48 -2.045 -11.014 5.676 1.00 0.00 C ATOM 0 HA PRO A 48 0.591 -9.204 5.047 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -0.003 -11.050 3.056 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.573 -11.579 4.624 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -2.251 -11.466 3.585 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -1.471 -12.730 4.515 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -3.130 -10.914 5.684 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -1.773 -11.605 6.551 1.00 0.00 H new ATOM 680 N GLN A 49 0.269 -8.023 2.912 1.00 0.00 N ATOM 681 CA GLN A 49 0.029 -7.087 1.820 1.00 0.00 C ATOM 682 C GLN A 49 -0.661 -7.781 0.650 1.00 0.00 C ATOM 683 O GLN A 49 -1.104 -7.131 -0.296 1.00 0.00 O ATOM 684 CB GLN A 49 1.347 -6.465 1.355 1.00 0.00 C ATOM 685 CG GLN A 49 2.072 -5.692 2.444 1.00 0.00 C ATOM 686 CD GLN A 49 3.247 -4.896 1.911 1.00 0.00 C ATOM 687 OE1 GLN A 49 3.366 -4.675 0.705 1.00 0.00 O ATOM 688 NE2 GLN A 49 4.123 -4.460 2.808 1.00 0.00 N ATOM 0 H GLN A 49 1.252 -8.145 3.155 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.627 -6.298 2.188 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.001 -7.254 0.985 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.148 -5.796 0.517 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.371 -5.015 2.932 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.425 -6.388 3.205 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.985 -4.666 3.797 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.934 -3.919 2.508 1.00 0.00 H new ATOM 697 N SER A 50 -0.747 -9.106 0.722 1.00 0.00 N ATOM 698 CA SER A 50 -1.379 -9.889 -0.334 1.00 0.00 C ATOM 699 C SER A 50 -2.855 -10.123 -0.027 1.00 0.00 C ATOM 700 O SER A 50 -3.602 -10.627 -0.865 1.00 0.00 O ATOM 701 CB SER A 50 -0.662 -11.230 -0.502 1.00 0.00 C ATOM 702 OG SER A 50 0.394 -11.129 -1.443 1.00 0.00 O ATOM 0 H SER A 50 -0.387 -9.659 1.500 1.00 0.00 H new ATOM 0 HA SER A 50 -1.304 -9.326 -1.265 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.267 -11.558 0.459 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.374 -11.988 -0.829 1.00 0.00 H new ATOM 0 HG SER A 50 0.838 -11.998 -1.531 1.00 0.00 H new ATOM 708 N PHE A 51 -3.267 -9.755 1.181 1.00 0.00 N ATOM 709 CA PHE A 51 -4.653 -9.925 1.601 1.00 0.00 C ATOM 710 C PHE A 51 -5.291 -8.579 1.929 1.00 0.00 C ATOM 711 O PHE A 51 -6.502 -8.405 1.793 1.00 0.00 O ATOM 712 CB PHE A 51 -4.729 -10.849 2.819 1.00 0.00 C ATOM 713 CG PHE A 51 -4.437 -12.287 2.499 1.00 0.00 C ATOM 714 CD1 PHE A 51 -3.261 -12.643 1.859 1.00 0.00 C ATOM 715 CD2 PHE A 51 -5.339 -13.283 2.839 1.00 0.00 C ATOM 716 CE1 PHE A 51 -2.989 -13.966 1.563 1.00 0.00 C ATOM 717 CE2 PHE A 51 -5.072 -14.607 2.546 1.00 0.00 C ATOM 718 CZ PHE A 51 -3.896 -14.949 1.907 1.00 0.00 C ATOM 0 H PHE A 51 -2.661 -9.337 1.887 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.204 -10.376 0.776 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.022 -10.502 3.573 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.724 -10.777 3.258 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.548 -11.878 1.588 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -6.260 -13.022 3.338 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -2.069 -14.230 1.064 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -5.783 -15.374 2.817 1.00 0.00 H new ATOM 0 HZ PHE A 51 -3.686 -15.983 1.677 1.00 0.00 H new ATOM 728 N GLN A 52 -4.468 -7.630 2.364 1.00 0.00 N ATOM 729 CA GLN A 52 -4.952 -6.300 2.713 1.00 0.00 C ATOM 730 C GLN A 52 -4.979 -5.392 1.488 1.00 0.00 C ATOM 731 O GLN A 52 -4.077 -5.432 0.652 1.00 0.00 O ATOM 732 CB GLN A 52 -4.071 -5.683 3.801 1.00 0.00 C ATOM 733 CG GLN A 52 -2.636 -5.447 3.360 1.00 0.00 C ATOM 734 CD GLN A 52 -1.999 -4.261 4.057 1.00 0.00 C ATOM 735 OE1 GLN A 52 -2.521 -3.147 4.014 1.00 0.00 O ATOM 736 NE2 GLN A 52 -0.864 -4.495 4.706 1.00 0.00 N ATOM 0 H GLN A 52 -3.463 -7.758 2.483 1.00 0.00 H new ATOM 0 HA GLN A 52 -5.969 -6.399 3.092 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.507 -4.734 4.115 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -4.072 -6.338 4.672 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.046 -6.341 3.561 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.613 -5.286 2.282 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.466 -5.434 4.716 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -0.390 -3.735 5.195 1.00 0.00 H new ATOM 745 N LYS A 53 -6.021 -4.573 1.388 1.00 0.00 N ATOM 746 CA LYS A 53 -6.167 -3.654 0.266 1.00 0.00 C ATOM 747 C LYS A 53 -6.471 -2.241 0.756 1.00 0.00 C ATOM 748 O LYS A 53 -7.511 -1.996 1.369 1.00 0.00 O ATOM 749 CB LYS A 53 -7.280 -4.131 -0.670 1.00 0.00 C ATOM 750 CG LYS A 53 -7.515 -3.210 -1.855 1.00 0.00 C ATOM 751 CD LYS A 53 -8.894 -3.418 -2.458 1.00 0.00 C ATOM 752 CE LYS A 53 -8.976 -4.731 -3.221 1.00 0.00 C ATOM 753 NZ LYS A 53 -8.526 -4.582 -4.633 1.00 0.00 N ATOM 0 H LYS A 53 -6.777 -4.527 2.071 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.224 -3.635 -0.281 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -7.032 -5.127 -1.038 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.206 -4.223 -0.102 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.408 -2.173 -1.538 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -6.754 -3.391 -2.614 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.644 -3.408 -1.667 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.128 -2.591 -3.129 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.362 -5.480 -2.721 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -10.002 -5.097 -3.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.597 -5.499 -5.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.128 -3.886 -5.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.538 -4.257 -4.650 1.00 0.00 H new ATOM 767 N LEU A 54 -5.559 -1.316 0.481 1.00 0.00 N ATOM 768 CA LEU A 54 -5.730 0.073 0.892 1.00 0.00 C ATOM 769 C LEU A 54 -6.698 0.801 -0.035 1.00 0.00 C ATOM 770 O LEU A 54 -6.625 0.663 -1.257 1.00 0.00 O ATOM 771 CB LEU A 54 -4.380 0.792 0.904 1.00 0.00 C ATOM 772 CG LEU A 54 -3.618 0.769 2.230 1.00 0.00 C ATOM 773 CD1 LEU A 54 -4.374 1.550 3.293 1.00 0.00 C ATOM 774 CD2 LEU A 54 -3.383 -0.664 2.684 1.00 0.00 C ATOM 0 H LEU A 54 -4.693 -1.502 -0.025 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.147 0.079 1.899 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.747 0.346 0.137 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.542 1.832 0.619 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.649 1.245 2.079 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.817 1.523 4.230 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.491 2.585 2.970 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.357 1.103 3.442 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.840 -0.662 3.629 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.342 -1.165 2.818 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.799 -1.193 1.931 1.00 0.00 H new ATOM 786 N ILE A 55 -7.603 1.576 0.553 1.00 0.00 N ATOM 787 CA ILE A 55 -8.583 2.328 -0.221 1.00 0.00 C ATOM 788 C ILE A 55 -8.839 3.698 0.398 1.00 0.00 C ATOM 789 O ILE A 55 -9.255 3.801 1.553 1.00 0.00 O ATOM 790 CB ILE A 55 -9.918 1.568 -0.328 1.00 0.00 C ATOM 791 CG1 ILE A 55 -9.682 0.151 -0.858 1.00 0.00 C ATOM 792 CG2 ILE A 55 -10.886 2.321 -1.229 1.00 0.00 C ATOM 793 CD1 ILE A 55 -10.881 -0.759 -0.703 1.00 0.00 C ATOM 0 H ILE A 55 -7.678 1.700 1.563 1.00 0.00 H new ATOM 0 HA ILE A 55 -8.166 2.456 -1.220 1.00 0.00 H new ATOM 0 HB ILE A 55 -10.359 1.496 0.666 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.412 0.206 -1.913 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.833 -0.288 -0.334 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.825 1.771 -1.295 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.074 3.311 -0.814 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -10.454 2.421 -2.225 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -10.642 -1.746 -1.099 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -11.139 -0.845 0.353 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -11.727 -0.343 -1.250 1.00 0.00 H new ATOM 805 N PHE A 56 -8.589 4.748 -0.377 1.00 0.00 N ATOM 806 CA PHE A 56 -8.794 6.112 0.095 1.00 0.00 C ATOM 807 C PHE A 56 -9.591 6.925 -0.921 1.00 0.00 C ATOM 808 O PHE A 56 -9.227 7.004 -2.094 1.00 0.00 O ATOM 809 CB PHE A 56 -7.447 6.789 0.362 1.00 0.00 C ATOM 810 CG PHE A 56 -7.544 7.973 1.281 1.00 0.00 C ATOM 811 CD1 PHE A 56 -7.934 7.813 2.601 1.00 0.00 C ATOM 812 CD2 PHE A 56 -7.244 9.247 0.825 1.00 0.00 C ATOM 813 CE1 PHE A 56 -8.024 8.901 3.448 1.00 0.00 C ATOM 814 CE2 PHE A 56 -7.332 10.339 1.667 1.00 0.00 C ATOM 815 CZ PHE A 56 -7.722 10.166 2.981 1.00 0.00 C ATOM 0 H PHE A 56 -8.244 4.680 -1.335 1.00 0.00 H new ATOM 0 HA PHE A 56 -9.362 6.067 1.024 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.762 6.059 0.793 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -7.016 7.109 -0.586 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -8.170 6.827 2.972 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -6.938 9.388 -0.201 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -8.330 8.763 4.474 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.096 11.326 1.298 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.791 11.018 3.642 1.00 0.00 H new ATOM 825 N LYS A 57 -10.682 7.528 -0.461 1.00 0.00 N ATOM 826 CA LYS A 57 -11.533 8.336 -1.327 1.00 0.00 C ATOM 827 C LYS A 57 -12.069 7.507 -2.490 1.00 0.00 C ATOM 828 O LYS A 57 -12.067 7.954 -3.636 1.00 0.00 O ATOM 829 CB LYS A 57 -10.755 9.540 -1.861 1.00 0.00 C ATOM 830 CG LYS A 57 -10.840 10.765 -0.966 1.00 0.00 C ATOM 831 CD LYS A 57 -10.058 11.933 -1.543 1.00 0.00 C ATOM 832 CE LYS A 57 -8.576 11.826 -1.216 1.00 0.00 C ATOM 833 NZ LYS A 57 -7.870 13.123 -1.409 1.00 0.00 N ATOM 0 H LYS A 57 -10.998 7.472 0.507 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.378 8.690 -0.736 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.708 9.261 -1.982 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.133 9.796 -2.851 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.884 11.052 -0.839 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.454 10.521 0.024 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -10.192 11.964 -2.624 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -10.453 12.868 -1.146 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -8.455 11.497 -0.184 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.118 11.066 -1.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -6.859 12.946 -1.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.277 13.621 -2.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.980 13.709 -0.557 1.00 0.00 H new ATOM 847 N GLY A 58 -12.528 6.297 -2.186 1.00 0.00 N ATOM 848 CA GLY A 58 -13.062 5.426 -3.217 1.00 0.00 C ATOM 849 C GLY A 58 -12.022 5.049 -4.254 1.00 0.00 C ATOM 850 O GLY A 58 -12.349 4.824 -5.419 1.00 0.00 O ATOM 0 H GLY A 58 -12.540 5.904 -1.245 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -13.455 4.520 -2.755 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -13.899 5.922 -3.710 1.00 0.00 H new ATOM 854 N LYS A 59 -10.764 4.982 -3.830 1.00 0.00 N ATOM 855 CA LYS A 59 -9.672 4.631 -4.729 1.00 0.00 C ATOM 856 C LYS A 59 -8.690 3.683 -4.048 1.00 0.00 C ATOM 857 O LYS A 59 -8.110 4.013 -3.013 1.00 0.00 O ATOM 858 CB LYS A 59 -8.940 5.893 -5.193 1.00 0.00 C ATOM 859 CG LYS A 59 -9.616 6.593 -6.360 1.00 0.00 C ATOM 860 CD LYS A 59 -8.679 7.580 -7.036 1.00 0.00 C ATOM 861 CE LYS A 59 -9.447 8.608 -7.852 1.00 0.00 C ATOM 862 NZ LYS A 59 -8.539 9.461 -8.667 1.00 0.00 N ATOM 0 H LYS A 59 -10.476 5.166 -2.869 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.097 4.125 -5.596 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.866 6.588 -4.357 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.922 5.628 -5.479 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -9.951 5.852 -7.086 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.504 7.117 -6.006 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.078 8.088 -6.282 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.988 7.042 -7.685 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -10.152 8.097 -8.508 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.033 9.238 -7.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.101 10.148 -9.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -7.883 9.968 -8.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.998 8.863 -9.324 1.00 0.00 H new ATOM 876 N SER A 60 -8.506 2.506 -4.636 1.00 0.00 N ATOM 877 CA SER A 60 -7.596 1.509 -4.083 1.00 0.00 C ATOM 878 C SER A 60 -6.144 1.941 -4.263 1.00 0.00 C ATOM 879 O SER A 60 -5.666 2.102 -5.387 1.00 0.00 O ATOM 880 CB SER A 60 -7.823 0.153 -4.754 1.00 0.00 C ATOM 881 OG SER A 60 -9.202 -0.167 -4.803 1.00 0.00 O ATOM 0 H SER A 60 -8.975 2.219 -5.495 1.00 0.00 H new ATOM 0 HA SER A 60 -7.801 1.417 -3.016 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.414 0.171 -5.764 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.286 -0.622 -4.207 1.00 0.00 H new ATOM 0 HG SER A 60 -9.321 -1.037 -5.238 1.00 0.00 H new ATOM 887 N LEU A 61 -5.447 2.128 -3.148 1.00 0.00 N ATOM 888 CA LEU A 61 -4.048 2.542 -3.180 1.00 0.00 C ATOM 889 C LEU A 61 -3.127 1.336 -3.329 1.00 0.00 C ATOM 890 O LEU A 61 -3.079 0.466 -2.459 1.00 0.00 O ATOM 891 CB LEU A 61 -3.695 3.314 -1.908 1.00 0.00 C ATOM 892 CG LEU A 61 -4.732 4.332 -1.431 1.00 0.00 C ATOM 893 CD1 LEU A 61 -4.272 4.998 -0.143 1.00 0.00 C ATOM 894 CD2 LEU A 61 -4.992 5.374 -2.509 1.00 0.00 C ATOM 0 H LEU A 61 -5.827 2.000 -2.210 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.907 3.193 -4.043 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.525 2.595 -1.106 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.752 3.836 -2.073 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.665 3.805 -1.231 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.022 5.719 0.182 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.138 4.241 0.630 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.326 5.511 -0.316 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.732 6.090 -2.152 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.064 5.897 -2.741 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.366 4.883 -3.407 1.00 0.00 H new ATOM 906 N LYS A 62 -2.393 1.291 -4.436 1.00 0.00 N ATOM 907 CA LYS A 62 -1.470 0.194 -4.699 1.00 0.00 C ATOM 908 C LYS A 62 -0.081 0.722 -5.043 1.00 0.00 C ATOM 909 O LYS A 62 0.774 -0.021 -5.523 1.00 0.00 O ATOM 910 CB LYS A 62 -1.993 -0.679 -5.842 1.00 0.00 C ATOM 911 CG LYS A 62 -2.097 0.055 -7.168 1.00 0.00 C ATOM 912 CD LYS A 62 -3.457 0.709 -7.339 1.00 0.00 C ATOM 913 CE LYS A 62 -4.523 -0.311 -7.712 1.00 0.00 C ATOM 914 NZ LYS A 62 -4.388 -0.762 -9.124 1.00 0.00 N ATOM 0 H LYS A 62 -2.420 2.003 -5.166 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.397 -0.410 -3.794 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.334 -1.539 -5.963 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.976 -1.066 -5.572 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.317 0.814 -7.226 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.923 -0.644 -7.986 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.740 1.211 -6.413 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.399 1.475 -8.112 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.451 -1.172 -7.047 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.511 0.125 -7.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.231 -1.307 -9.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.295 0.067 -9.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.543 -1.361 -9.218 1.00 0.00 H new ATOM 928 N GLU A 63 0.136 2.010 -4.793 1.00 0.00 N ATOM 929 CA GLU A 63 1.422 2.636 -5.077 1.00 0.00 C ATOM 930 C GLU A 63 2.212 2.863 -3.791 1.00 0.00 C ATOM 931 O GLU A 63 2.072 3.896 -3.138 1.00 0.00 O ATOM 932 CB GLU A 63 1.217 3.967 -5.804 1.00 0.00 C ATOM 933 CG GLU A 63 0.743 3.810 -7.239 1.00 0.00 C ATOM 934 CD GLU A 63 0.414 5.138 -7.893 1.00 0.00 C ATOM 935 OE1 GLU A 63 -0.731 5.611 -7.734 1.00 0.00 O ATOM 936 OE2 GLU A 63 1.302 5.704 -8.564 1.00 0.00 O ATOM 0 H GLU A 63 -0.561 2.639 -4.395 1.00 0.00 H new ATOM 0 HA GLU A 63 1.991 1.963 -5.719 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.490 4.564 -5.253 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.155 4.522 -5.799 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.515 3.305 -7.819 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.140 3.171 -7.258 1.00 0.00 H new ATOM 943 N MET A 64 3.043 1.888 -3.435 1.00 0.00 N ATOM 944 CA MET A 64 3.857 1.981 -2.228 1.00 0.00 C ATOM 945 C MET A 64 4.866 3.120 -2.339 1.00 0.00 C ATOM 946 O MET A 64 5.045 3.896 -1.401 1.00 0.00 O ATOM 947 CB MET A 64 4.587 0.661 -1.976 1.00 0.00 C ATOM 948 CG MET A 64 3.666 -0.549 -1.961 1.00 0.00 C ATOM 949 SD MET A 64 2.560 -0.561 -0.537 1.00 0.00 S ATOM 950 CE MET A 64 0.964 -0.608 -1.348 1.00 0.00 C ATOM 0 H MET A 64 3.170 1.026 -3.965 1.00 0.00 H new ATOM 0 HA MET A 64 3.194 2.187 -1.388 1.00 0.00 H new ATOM 0 HB2 MET A 64 5.345 0.521 -2.747 1.00 0.00 H new ATOM 0 HB3 MET A 64 5.110 0.721 -1.022 1.00 0.00 H new ATOM 0 HG2 MET A 64 3.074 -0.562 -2.876 1.00 0.00 H new ATOM 0 HG3 MET A 64 4.267 -1.458 -1.957 1.00 0.00 H new ATOM 0 HE1 MET A 64 0.174 -0.619 -0.597 1.00 0.00 H new ATOM 0 HE2 MET A 64 0.851 0.273 -1.980 1.00 0.00 H new ATOM 0 HE3 MET A 64 0.894 -1.506 -1.962 1.00 0.00 H new ATOM 960 N GLU A 65 5.522 3.213 -3.492 1.00 0.00 N ATOM 961 CA GLU A 65 6.514 4.257 -3.723 1.00 0.00 C ATOM 962 C GLU A 65 5.875 5.641 -3.648 1.00 0.00 C ATOM 963 O GLU A 65 6.552 6.638 -3.397 1.00 0.00 O ATOM 964 CB GLU A 65 7.181 4.065 -5.086 1.00 0.00 C ATOM 965 CG GLU A 65 7.827 2.700 -5.261 1.00 0.00 C ATOM 966 CD GLU A 65 6.851 1.652 -5.759 1.00 0.00 C ATOM 967 OE1 GLU A 65 6.630 1.584 -6.987 1.00 0.00 O ATOM 968 OE2 GLU A 65 6.307 0.901 -4.923 1.00 0.00 O ATOM 0 H GLU A 65 5.385 2.579 -4.279 1.00 0.00 H new ATOM 0 HA GLU A 65 7.271 4.182 -2.942 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.436 4.208 -5.869 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.939 4.836 -5.222 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.656 2.782 -5.964 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.247 2.376 -4.309 1.00 0.00 H new ATOM 975 N THR A 66 4.565 5.694 -3.869 1.00 0.00 N ATOM 976 CA THR A 66 3.833 6.954 -3.828 1.00 0.00 C ATOM 977 C THR A 66 3.664 7.446 -2.396 1.00 0.00 C ATOM 978 O THR A 66 3.246 6.706 -1.505 1.00 0.00 O ATOM 979 CB THR A 66 2.444 6.819 -4.480 1.00 0.00 C ATOM 980 OG1 THR A 66 2.578 6.712 -5.902 1.00 0.00 O ATOM 981 CG2 THR A 66 1.567 8.013 -4.137 1.00 0.00 C ATOM 0 H THR A 66 3.989 4.879 -4.078 1.00 0.00 H new ATOM 0 HA THR A 66 4.421 7.679 -4.391 1.00 0.00 H new ATOM 0 HB THR A 66 1.971 5.917 -4.091 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.727 6.943 -6.329 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.591 7.895 -4.609 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.442 8.074 -3.056 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.038 8.927 -4.500 1.00 0.00 H new ATOM 989 N PRO A 67 3.996 8.725 -2.165 1.00 0.00 N ATOM 990 CA PRO A 67 3.887 9.345 -0.841 1.00 0.00 C ATOM 991 C PRO A 67 2.438 9.540 -0.410 1.00 0.00 C ATOM 992 O PRO A 67 1.599 9.982 -1.196 1.00 0.00 O ATOM 993 CB PRO A 67 4.578 10.699 -1.026 1.00 0.00 C ATOM 994 CG PRO A 67 4.448 10.995 -2.480 1.00 0.00 C ATOM 995 CD PRO A 67 4.501 9.665 -3.180 1.00 0.00 C ATOM 0 HA PRO A 67 4.333 8.726 -0.063 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.104 11.472 -0.421 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.624 10.654 -0.723 1.00 0.00 H new ATOM 0 HG2 PRO A 67 3.511 11.510 -2.691 1.00 0.00 H new ATOM 0 HG3 PRO A 67 5.253 11.647 -2.819 1.00 0.00 H new ATOM 0 HD2 PRO A 67 3.882 9.658 -4.077 1.00 0.00 H new ATOM 0 HD3 PRO A 67 5.515 9.414 -3.490 1.00 0.00 H new ATOM 1003 N LEU A 68 2.149 9.210 0.844 1.00 0.00 N ATOM 1004 CA LEU A 68 0.800 9.350 1.381 1.00 0.00 C ATOM 1005 C LEU A 68 0.257 10.753 1.131 1.00 0.00 C ATOM 1006 O LEU A 68 -0.949 10.945 0.978 1.00 0.00 O ATOM 1007 CB LEU A 68 0.793 9.049 2.881 1.00 0.00 C ATOM 1008 CG LEU A 68 1.203 7.631 3.283 1.00 0.00 C ATOM 1009 CD1 LEU A 68 1.841 7.631 4.663 1.00 0.00 C ATOM 1010 CD2 LEU A 68 0.001 6.699 3.249 1.00 0.00 C ATOM 0 H LEU A 68 2.831 8.844 1.508 1.00 0.00 H new ATOM 0 HA LEU A 68 0.156 8.634 0.869 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.462 9.753 3.376 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.210 9.238 3.265 1.00 0.00 H new ATOM 0 HG LEU A 68 1.939 7.269 2.565 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.126 6.614 4.932 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.727 8.266 4.654 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.128 8.013 5.394 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.311 5.695 3.538 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.758 7.058 3.944 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.413 6.675 2.241 1.00 0.00 H new ATOM 1022 N SER A 69 1.156 11.731 1.087 1.00 0.00 N ATOM 1023 CA SER A 69 0.767 13.118 0.856 1.00 0.00 C ATOM 1024 C SER A 69 0.230 13.303 -0.560 1.00 0.00 C ATOM 1025 O SER A 69 -0.731 14.038 -0.779 1.00 0.00 O ATOM 1026 CB SER A 69 1.959 14.049 1.087 1.00 0.00 C ATOM 1027 OG SER A 69 2.101 14.365 2.461 1.00 0.00 O ATOM 0 H SER A 69 2.159 11.589 1.208 1.00 0.00 H new ATOM 0 HA SER A 69 -0.024 13.370 1.562 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.871 13.575 0.724 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.826 14.965 0.512 1.00 0.00 H new ATOM 0 HG SER A 69 2.871 14.960 2.582 1.00 0.00 H new ATOM 1033 N ALA A 70 0.859 12.628 -1.517 1.00 0.00 N ATOM 1034 CA ALA A 70 0.444 12.716 -2.912 1.00 0.00 C ATOM 1035 C ALA A 70 -1.020 12.319 -3.075 1.00 0.00 C ATOM 1036 O ALA A 70 -1.772 12.967 -3.804 1.00 0.00 O ATOM 1037 CB ALA A 70 1.331 11.838 -3.782 1.00 0.00 C ATOM 0 H ALA A 70 1.657 12.015 -1.352 1.00 0.00 H new ATOM 0 HA ALA A 70 0.550 13.752 -3.233 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.010 11.913 -4.821 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.366 12.169 -3.697 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.253 10.802 -3.452 1.00 0.00 H new ATOM 1043 N LEU A 71 -1.417 11.251 -2.393 1.00 0.00 N ATOM 1044 CA LEU A 71 -2.792 10.766 -2.463 1.00 0.00 C ATOM 1045 C LEU A 71 -3.736 11.698 -1.709 1.00 0.00 C ATOM 1046 O LEU A 71 -4.952 11.642 -1.887 1.00 0.00 O ATOM 1047 CB LEU A 71 -2.885 9.352 -1.887 1.00 0.00 C ATOM 1048 CG LEU A 71 -1.953 8.312 -2.509 1.00 0.00 C ATOM 1049 CD1 LEU A 71 -1.661 7.197 -1.517 1.00 0.00 C ATOM 1050 CD2 LEU A 71 -2.559 7.748 -3.785 1.00 0.00 C ATOM 0 H LEU A 71 -0.807 10.704 -1.785 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.091 10.745 -3.511 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.679 9.402 -0.818 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.912 9.003 -1.997 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.012 8.800 -2.763 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.996 6.466 -1.977 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.184 7.615 -0.630 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.594 6.710 -1.232 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.882 7.009 -4.214 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.514 7.275 -3.556 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.716 8.555 -4.501 1.00 0.00 H new ATOM 1062 N GLY A 72 -3.167 12.556 -0.868 1.00 0.00 N ATOM 1063 CA GLY A 72 -3.972 13.488 -0.102 1.00 0.00 C ATOM 1064 C GLY A 72 -4.083 13.096 1.358 1.00 0.00 C ATOM 1065 O GLY A 72 -4.659 13.828 2.163 1.00 0.00 O ATOM 0 H GLY A 72 -2.162 12.622 -0.704 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.536 14.485 -0.175 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.970 13.544 -0.537 1.00 0.00 H new ATOM 1069 N ILE A 73 -3.531 11.937 1.701 1.00 0.00 N ATOM 1070 CA ILE A 73 -3.571 11.448 3.074 1.00 0.00 C ATOM 1071 C ILE A 73 -2.636 12.252 3.971 1.00 0.00 C ATOM 1072 O ILE A 73 -1.563 12.677 3.542 1.00 0.00 O ATOM 1073 CB ILE A 73 -3.186 9.959 3.153 1.00 0.00 C ATOM 1074 CG1 ILE A 73 -4.190 9.108 2.374 1.00 0.00 C ATOM 1075 CG2 ILE A 73 -3.114 9.507 4.604 1.00 0.00 C ATOM 1076 CD1 ILE A 73 -3.628 7.781 1.912 1.00 0.00 C ATOM 0 H ILE A 73 -3.051 11.319 1.047 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.597 11.568 3.422 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.202 9.829 2.703 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.063 8.925 3.001 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.534 9.670 1.506 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.841 8.453 4.643 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.364 10.096 5.132 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.086 9.648 5.078 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.395 7.231 1.367 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.773 7.956 1.259 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.310 7.199 2.777 1.00 0.00 H new ATOM 1088 N GLN A 74 -3.050 12.455 5.217 1.00 0.00 N ATOM 1089 CA GLN A 74 -2.248 13.207 6.175 1.00 0.00 C ATOM 1090 C GLN A 74 -2.633 12.850 7.607 1.00 0.00 C ATOM 1091 O GLN A 74 -3.717 12.322 7.855 1.00 0.00 O ATOM 1092 CB GLN A 74 -2.420 14.710 5.948 1.00 0.00 C ATOM 1093 CG GLN A 74 -1.187 15.525 6.303 1.00 0.00 C ATOM 1094 CD GLN A 74 -1.528 16.924 6.776 1.00 0.00 C ATOM 1095 OE1 GLN A 74 -2.691 17.239 7.033 1.00 0.00 O ATOM 1096 NE2 GLN A 74 -0.514 17.774 6.893 1.00 0.00 N ATOM 0 H GLN A 74 -3.936 12.110 5.587 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.202 12.941 6.022 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -2.671 14.884 4.902 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -3.263 15.064 6.542 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -0.627 15.009 7.083 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.535 15.589 5.432 1.00 0.00 H new ATOM 0 HE21 GLN A 74 0.434 17.471 6.669 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -0.683 18.730 7.206 1.00 0.00 H new ATOM 1105 N ASP A 75 -1.738 13.140 8.545 1.00 0.00 N ATOM 1106 CA ASP A 75 -1.984 12.850 9.953 1.00 0.00 C ATOM 1107 C ASP A 75 -3.346 13.382 10.387 1.00 0.00 C ATOM 1108 O ASP A 75 -3.512 14.578 10.618 1.00 0.00 O ATOM 1109 CB ASP A 75 -0.883 13.461 10.821 1.00 0.00 C ATOM 1110 CG ASP A 75 -1.355 13.754 12.232 1.00 0.00 C ATOM 1111 OD1 ASP A 75 -1.880 14.864 12.463 1.00 0.00 O ATOM 1112 OD2 ASP A 75 -1.201 12.874 13.104 1.00 0.00 O ATOM 0 H ASP A 75 -0.835 13.576 8.356 1.00 0.00 H new ATOM 0 HA ASP A 75 -1.979 11.768 10.082 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -0.034 12.779 10.859 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -0.530 14.384 10.360 1.00 0.00 H new ATOM 1117 N GLY A 76 -4.320 12.483 10.494 1.00 0.00 N ATOM 1118 CA GLY A 76 -5.656 12.881 10.899 1.00 0.00 C ATOM 1119 C GLY A 76 -6.706 12.520 9.868 1.00 0.00 C ATOM 1120 O GLY A 76 -7.693 13.237 9.700 1.00 0.00 O ATOM 0 H GLY A 76 -4.208 11.486 10.308 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.903 12.403 11.847 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.675 13.957 11.071 1.00 0.00 H new ATOM 1124 N CYS A 77 -6.494 11.407 9.174 1.00 0.00 N ATOM 1125 CA CYS A 77 -7.430 10.954 8.151 1.00 0.00 C ATOM 1126 C CYS A 77 -7.856 9.512 8.405 1.00 0.00 C ATOM 1127 O CYS A 77 -7.247 8.806 9.209 1.00 0.00 O ATOM 1128 CB CYS A 77 -6.798 11.074 6.763 1.00 0.00 C ATOM 1129 SG CYS A 77 -6.546 12.778 6.212 1.00 0.00 S ATOM 0 H CYS A 77 -5.683 10.802 9.301 1.00 0.00 H new ATOM 0 HA CYS A 77 -8.315 11.589 8.196 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -5.837 10.559 6.767 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -7.432 10.560 6.041 1.00 0.00 H new ATOM 0 HG CYS A 77 -5.395 13.206 6.638 1.00 0.00 H new ATOM 1135 N ARG A 78 -8.908 9.081 7.717 1.00 0.00 N ATOM 1136 CA ARG A 78 -9.419 7.725 7.870 1.00 0.00 C ATOM 1137 C ARG A 78 -9.303 6.949 6.561 1.00 0.00 C ATOM 1138 O ARG A 78 -9.964 7.272 5.575 1.00 0.00 O ATOM 1139 CB ARG A 78 -10.878 7.755 8.330 1.00 0.00 C ATOM 1140 CG ARG A 78 -11.039 7.800 9.841 1.00 0.00 C ATOM 1141 CD ARG A 78 -12.489 8.031 10.239 1.00 0.00 C ATOM 1142 NE ARG A 78 -13.290 6.816 10.117 1.00 0.00 N ATOM 1143 CZ ARG A 78 -13.840 6.410 8.978 1.00 0.00 C ATOM 1144 NH1 ARG A 78 -13.675 7.117 7.869 1.00 0.00 N ATOM 1145 NH2 ARG A 78 -14.556 5.293 8.948 1.00 0.00 N ATOM 0 H ARG A 78 -9.423 9.652 7.047 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.817 7.221 8.626 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.370 8.625 7.895 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -11.390 6.873 7.945 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.686 6.864 10.274 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.417 8.595 10.251 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -12.530 8.390 11.267 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -12.917 8.812 9.611 1.00 0.00 H new ATOM 0 HE ARG A 78 -13.435 6.248 10.952 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -13.124 7.975 7.889 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -14.099 6.803 6.996 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -14.684 4.746 9.800 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -14.978 4.981 8.073 1.00 0.00 H new ATOM 1159 N VAL A 79 -8.457 5.923 6.560 1.00 0.00 N ATOM 1160 CA VAL A 79 -8.254 5.101 5.374 1.00 0.00 C ATOM 1161 C VAL A 79 -8.993 3.772 5.493 1.00 0.00 C ATOM 1162 O VAL A 79 -9.033 3.167 6.564 1.00 0.00 O ATOM 1163 CB VAL A 79 -6.759 4.824 5.131 1.00 0.00 C ATOM 1164 CG1 VAL A 79 -6.567 3.985 3.877 1.00 0.00 C ATOM 1165 CG2 VAL A 79 -5.985 6.130 5.032 1.00 0.00 C ATOM 0 H VAL A 79 -7.901 5.642 7.368 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.654 5.662 4.529 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.370 4.260 5.979 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.504 3.800 3.722 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.088 3.034 3.992 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.971 4.519 3.017 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.930 5.916 4.860 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.375 6.722 4.204 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.095 6.689 5.961 1.00 0.00 H new ATOM 1175 N MET A 80 -9.576 3.324 4.386 1.00 0.00 N ATOM 1176 CA MET A 80 -10.312 2.065 4.367 1.00 0.00 C ATOM 1177 C MET A 80 -9.415 0.918 3.912 1.00 0.00 C ATOM 1178 O MET A 80 -8.724 1.022 2.897 1.00 0.00 O ATOM 1179 CB MET A 80 -11.527 2.175 3.444 1.00 0.00 C ATOM 1180 CG MET A 80 -12.232 0.849 3.208 1.00 0.00 C ATOM 1181 SD MET A 80 -13.973 1.053 2.784 1.00 0.00 S ATOM 1182 CE MET A 80 -14.527 -0.650 2.800 1.00 0.00 C ATOM 0 H MET A 80 -9.553 3.813 3.491 1.00 0.00 H new ATOM 0 HA MET A 80 -10.653 1.856 5.381 1.00 0.00 H new ATOM 0 HB2 MET A 80 -12.236 2.883 3.873 1.00 0.00 H new ATOM 0 HB3 MET A 80 -11.209 2.584 2.485 1.00 0.00 H new ATOM 0 HG2 MET A 80 -11.727 0.312 2.405 1.00 0.00 H new ATOM 0 HG3 MET A 80 -12.150 0.234 4.104 1.00 0.00 H new ATOM 0 HE1 MET A 80 -15.432 -0.744 2.200 1.00 0.00 H new ATOM 0 HE2 MET A 80 -13.748 -1.290 2.385 1.00 0.00 H new ATOM 0 HE3 MET A 80 -14.738 -0.954 3.825 1.00 0.00 H new ATOM 1192 N LEU A 81 -9.430 -0.175 4.667 1.00 0.00 N ATOM 1193 CA LEU A 81 -8.618 -1.342 4.341 1.00 0.00 C ATOM 1194 C LEU A 81 -9.470 -2.606 4.308 1.00 0.00 C ATOM 1195 O LEU A 81 -10.185 -2.910 5.264 1.00 0.00 O ATOM 1196 CB LEU A 81 -7.488 -1.501 5.359 1.00 0.00 C ATOM 1197 CG LEU A 81 -6.599 -2.734 5.188 1.00 0.00 C ATOM 1198 CD1 LEU A 81 -5.704 -2.581 3.968 1.00 0.00 C ATOM 1199 CD2 LEU A 81 -5.764 -2.967 6.439 1.00 0.00 C ATOM 0 H LEU A 81 -9.996 -0.277 5.509 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.188 -1.190 3.351 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.857 -0.614 5.313 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.926 -1.529 6.357 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.240 -3.603 5.036 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.079 -3.467 3.862 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.321 -2.463 3.077 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.070 -1.702 4.089 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.138 -3.848 6.300 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.132 -2.098 6.622 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.423 -3.122 7.293 1.00 0.00 H new ATOM 1211 N ILE A 82 -9.387 -3.341 3.204 1.00 0.00 N ATOM 1212 CA ILE A 82 -10.148 -4.574 3.049 1.00 0.00 C ATOM 1213 C ILE A 82 -9.233 -5.793 3.088 1.00 0.00 C ATOM 1214 O ILE A 82 -8.178 -5.811 2.456 1.00 0.00 O ATOM 1215 CB ILE A 82 -10.942 -4.584 1.729 1.00 0.00 C ATOM 1216 CG1 ILE A 82 -11.926 -3.412 1.691 1.00 0.00 C ATOM 1217 CG2 ILE A 82 -11.677 -5.905 1.562 1.00 0.00 C ATOM 1218 CD1 ILE A 82 -12.553 -3.193 0.332 1.00 0.00 C ATOM 0 H ILE A 82 -8.800 -3.104 2.404 1.00 0.00 H new ATOM 0 HA ILE A 82 -10.847 -4.620 3.884 1.00 0.00 H new ATOM 0 HB ILE A 82 -10.242 -4.473 0.901 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -12.715 -3.587 2.422 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -11.407 -2.502 1.994 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -12.233 -5.896 0.625 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -10.957 -6.723 1.549 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -12.369 -6.044 2.393 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -13.239 -2.347 0.380 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -11.772 -2.986 -0.400 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -13.101 -4.088 0.036 1.00 0.00 H new ATOM 1230 N GLY A 83 -9.647 -6.814 3.833 1.00 0.00 N ATOM 1231 CA GLY A 83 -8.854 -8.024 3.939 1.00 0.00 C ATOM 1232 C GLY A 83 -9.388 -8.977 4.990 1.00 0.00 C ATOM 1233 O GLY A 83 -10.107 -8.569 5.902 1.00 0.00 O ATOM 0 H GLY A 83 -10.517 -6.824 4.365 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.834 -8.528 2.973 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.825 -7.760 4.182 1.00 0.00 H new ATOM 1237 N LYS A 84 -9.039 -10.253 4.862 1.00 0.00 N ATOM 1238 CA LYS A 84 -9.488 -11.268 5.807 1.00 0.00 C ATOM 1239 C LYS A 84 -8.343 -11.717 6.709 1.00 0.00 C ATOM 1240 O LYS A 84 -7.301 -12.167 6.230 1.00 0.00 O ATOM 1241 CB LYS A 84 -10.063 -12.473 5.058 1.00 0.00 C ATOM 1242 CG LYS A 84 -9.099 -13.082 4.055 1.00 0.00 C ATOM 1243 CD LYS A 84 -9.730 -14.248 3.313 1.00 0.00 C ATOM 1244 CE LYS A 84 -9.786 -15.496 4.181 1.00 0.00 C ATOM 1245 NZ LYS A 84 -8.429 -16.050 4.443 1.00 0.00 N ATOM 0 H LYS A 84 -8.446 -10.609 4.112 1.00 0.00 H new ATOM 0 HA LYS A 84 -10.267 -10.829 6.430 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -10.352 -13.236 5.781 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -10.971 -12.167 4.538 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -8.787 -12.321 3.340 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -8.201 -13.421 4.572 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -10.738 -13.977 2.997 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -9.158 -14.458 2.409 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -10.270 -15.258 5.128 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -10.399 -16.252 3.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -8.512 -17.036 4.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -7.866 -16.016 3.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -7.960 -15.486 5.180 1.00 0.00 H new