USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 613 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 59 GLN : amide:sc= 0.0422 X(o=0.085,f=0) USER MOD Set 1.2: A 61 SER OG : rot 180:sc= 0.0426 USER MOD Set 2.1: A 1 GLY N :NH3+ 163:sc= 0.0283 (180deg=-3.31e-05) USER MOD Set 2.2: A 3 HIS : no HE2:sc= -0.155 X(o=-0.13,f=-0.13) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -16:sc= 0.153 USER MOD Single : A 12 SER OG : rot 74:sc= 0.839 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -170:sc= 0.967 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 166:sc= 0.0893 (180deg=0.0465) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 100:sc= 0.579 USER MOD Single : A 57 ASN : amide:sc= 1 K(o=1,f=0) USER MOD Single : A 58 GLN : amide:sc= 0.848 K(o=0.85,f=-0.055) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 ASN : amide:sc= -0.0424 K(o=-0.042,f=-0.58) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HE2:sc= 0.611 K(o=0.61,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.128 17.071 -8.005 1.00 1.00 N ATOM 2 CA GLY A 1 20.151 15.617 -7.830 1.00 1.00 C ATOM 3 C GLY A 1 19.212 15.094 -6.735 1.00 1.00 C ATOM 4 O GLY A 1 18.828 13.923 -6.762 1.00 1.00 O ATOM 0 H1 GLY A 1 20.970 17.370 -8.538 1.00 1.00 H new ATOM 0 H2 GLY A 1 19.272 17.344 -8.529 1.00 1.00 H new ATOM 0 H3 GLY A 1 20.126 17.533 -7.073 1.00 1.00 H new ATOM 0 HA2 GLY A 1 19.884 15.145 -8.776 1.00 1.00 H new ATOM 0 HA3 GLY A 1 21.170 15.308 -7.596 1.00 1.00 H new ATOM 8 N SER A 2 18.780 15.949 -5.803 1.00 1.00 N ATOM 9 CA SER A 2 17.800 15.614 -4.755 1.00 1.00 C ATOM 10 C SER A 2 16.475 15.093 -5.328 1.00 1.00 C ATOM 11 O SER A 2 15.940 14.095 -4.852 1.00 1.00 O ATOM 12 CB SER A 2 17.548 16.835 -3.861 1.00 1.00 C ATOM 13 OG SER A 2 17.174 17.965 -4.640 1.00 1.00 O ATOM 0 H SER A 2 19.106 16.914 -5.751 1.00 1.00 H new ATOM 0 HA SER A 2 18.228 14.806 -4.162 1.00 1.00 H new ATOM 0 HB2 SER A 2 16.762 16.608 -3.141 1.00 1.00 H new ATOM 0 HB3 SER A 2 18.447 17.064 -3.289 1.00 1.00 H new ATOM 0 HG SER A 2 17.017 18.731 -4.050 1.00 1.00 H new ATOM 19 N HIS A 3 15.996 15.700 -6.417 1.00 1.00 N ATOM 20 CA HIS A 3 14.835 15.251 -7.192 1.00 1.00 C ATOM 21 C HIS A 3 14.979 13.813 -7.731 1.00 1.00 C ATOM 22 O HIS A 3 14.009 13.053 -7.727 1.00 1.00 O ATOM 23 CB HIS A 3 14.582 16.254 -8.332 1.00 1.00 C ATOM 24 CG HIS A 3 15.779 16.501 -9.224 1.00 1.00 C ATOM 25 ND1 HIS A 3 16.143 15.769 -10.333 1.00 1.00 N ATOM 26 CD2 HIS A 3 16.722 17.482 -9.065 1.00 1.00 C ATOM 27 CE1 HIS A 3 17.283 16.285 -10.823 1.00 1.00 C ATOM 28 NE2 HIS A 3 17.680 17.333 -10.078 1.00 1.00 N ATOM 0 H HIS A 3 16.420 16.546 -6.797 1.00 1.00 H new ATOM 0 HA HIS A 3 13.975 15.221 -6.522 1.00 1.00 H new ATOM 0 HB2 HIS A 3 13.757 15.889 -8.944 1.00 1.00 H new ATOM 0 HB3 HIS A 3 14.264 17.203 -7.901 1.00 1.00 H new ATOM 0 HD1 HIS A 3 15.634 14.972 -10.716 1.00 1.00 H new ATOM 0 HD2 HIS A 3 16.727 18.238 -8.294 1.00 1.00 H new ATOM 0 HE1 HIS A 3 17.806 15.912 -11.691 1.00 1.00 H new ATOM 36 N MET A 4 16.182 13.407 -8.155 1.00 1.00 N ATOM 37 CA MET A 4 16.463 12.042 -8.619 1.00 1.00 C ATOM 38 C MET A 4 16.484 11.039 -7.455 1.00 1.00 C ATOM 39 O MET A 4 15.929 9.948 -7.581 1.00 1.00 O ATOM 40 CB MET A 4 17.789 12.026 -9.398 1.00 1.00 C ATOM 41 CG MET A 4 18.027 10.684 -10.100 1.00 1.00 C ATOM 42 SD MET A 4 19.546 10.637 -11.090 1.00 1.00 S ATOM 43 CE MET A 4 19.441 8.937 -11.714 1.00 1.00 C ATOM 0 H MET A 4 16.995 14.022 -8.186 1.00 1.00 H new ATOM 0 HA MET A 4 15.659 11.729 -9.285 1.00 1.00 H new ATOM 0 HB2 MET A 4 17.784 12.826 -10.138 1.00 1.00 H new ATOM 0 HB3 MET A 4 18.613 12.229 -8.714 1.00 1.00 H new ATOM 0 HG2 MET A 4 18.068 9.894 -9.350 1.00 1.00 H new ATOM 0 HG3 MET A 4 17.176 10.466 -10.746 1.00 1.00 H new ATOM 0 HE1 MET A 4 20.302 8.729 -12.349 1.00 1.00 H new ATOM 0 HE2 MET A 4 19.432 8.241 -10.875 1.00 1.00 H new ATOM 0 HE3 MET A 4 18.526 8.818 -12.294 1.00 1.00 H new ATOM 53 N LEU A 5 17.062 11.418 -6.309 1.00 1.00 N ATOM 54 CA LEU A 5 17.052 10.605 -5.082 1.00 1.00 C ATOM 55 C LEU A 5 15.635 10.429 -4.504 1.00 1.00 C ATOM 56 O LEU A 5 15.292 9.357 -4.005 1.00 1.00 O ATOM 57 CB LEU A 5 17.992 11.232 -4.035 1.00 1.00 C ATOM 58 CG LEU A 5 19.482 11.263 -4.430 1.00 1.00 C ATOM 59 CD1 LEU A 5 20.278 12.011 -3.360 1.00 1.00 C ATOM 60 CD2 LEU A 5 20.079 9.862 -4.576 1.00 1.00 C ATOM 0 H LEU A 5 17.555 12.305 -6.204 1.00 1.00 H new ATOM 0 HA LEU A 5 17.409 9.609 -5.343 1.00 1.00 H new ATOM 0 HB2 LEU A 5 17.663 12.252 -3.838 1.00 1.00 H new ATOM 0 HB3 LEU A 5 17.891 10.679 -3.101 1.00 1.00 H new ATOM 0 HG LEU A 5 19.544 11.764 -5.396 1.00 1.00 H new ATOM 0 HD11 LEU A 5 21.331 12.033 -3.639 1.00 1.00 H new ATOM 0 HD12 LEU A 5 19.904 13.031 -3.275 1.00 1.00 H new ATOM 0 HD13 LEU A 5 20.167 11.503 -2.402 1.00 1.00 H new ATOM 0 HD21 LEU A 5 21.130 9.941 -4.855 1.00 1.00 H new ATOM 0 HD22 LEU A 5 19.994 9.330 -3.628 1.00 1.00 H new ATOM 0 HD23 LEU A 5 19.539 9.315 -5.349 1.00 1.00 H new ATOM 72 N GLU A 6 14.782 11.451 -4.600 1.00 1.00 N ATOM 73 CA GLU A 6 13.358 11.337 -4.263 1.00 1.00 C ATOM 74 C GLU A 6 12.603 10.442 -5.258 1.00 1.00 C ATOM 75 O GLU A 6 11.813 9.598 -4.838 1.00 1.00 O ATOM 76 CB GLU A 6 12.710 12.729 -4.203 1.00 1.00 C ATOM 77 CG GLU A 6 13.147 13.519 -2.962 1.00 1.00 C ATOM 78 CD GLU A 6 12.574 14.943 -2.990 1.00 1.00 C ATOM 79 OE1 GLU A 6 13.190 15.816 -3.648 1.00 1.00 O ATOM 80 OE2 GLU A 6 11.515 15.163 -2.355 1.00 1.00 O ATOM 0 H GLU A 6 15.057 12.382 -4.913 1.00 1.00 H new ATOM 0 HA GLU A 6 13.291 10.867 -3.282 1.00 1.00 H new ATOM 0 HB2 GLU A 6 12.974 13.290 -5.100 1.00 1.00 H new ATOM 0 HB3 GLU A 6 11.625 12.623 -4.201 1.00 1.00 H new ATOM 0 HG2 GLU A 6 12.811 13.005 -2.062 1.00 1.00 H new ATOM 0 HG3 GLU A 6 14.235 13.561 -2.917 1.00 1.00 H new ATOM 87 N SER A 7 12.882 10.559 -6.559 1.00 1.00 N ATOM 88 CA SER A 7 12.284 9.702 -7.590 1.00 1.00 C ATOM 89 C SER A 7 12.637 8.222 -7.380 1.00 1.00 C ATOM 90 O SER A 7 11.754 7.363 -7.432 1.00 1.00 O ATOM 91 CB SER A 7 12.723 10.175 -8.980 1.00 1.00 C ATOM 92 OG SER A 7 12.033 9.463 -9.994 1.00 1.00 O ATOM 0 H SER A 7 13.531 11.253 -6.930 1.00 1.00 H new ATOM 0 HA SER A 7 11.200 9.785 -7.510 1.00 1.00 H new ATOM 0 HB2 SER A 7 12.530 11.243 -9.084 1.00 1.00 H new ATOM 0 HB3 SER A 7 13.797 10.032 -9.095 1.00 1.00 H new ATOM 0 HG SER A 7 12.326 9.780 -10.874 1.00 1.00 H new ATOM 98 N SER A 8 13.900 7.906 -7.069 1.00 1.00 N ATOM 99 CA SER A 8 14.321 6.526 -6.776 1.00 1.00 C ATOM 100 C SER A 8 13.716 5.983 -5.475 1.00 1.00 C ATOM 101 O SER A 8 13.325 4.813 -5.430 1.00 1.00 O ATOM 102 CB SER A 8 15.846 6.373 -6.796 1.00 1.00 C ATOM 103 OG SER A 8 16.474 7.095 -5.753 1.00 1.00 O ATOM 0 H SER A 8 14.654 8.591 -7.013 1.00 1.00 H new ATOM 0 HA SER A 8 13.922 5.912 -7.583 1.00 1.00 H new ATOM 0 HB2 SER A 8 16.104 5.317 -6.710 1.00 1.00 H new ATOM 0 HB3 SER A 8 16.231 6.718 -7.756 1.00 1.00 H new ATOM 0 HG SER A 8 15.846 7.751 -5.385 1.00 1.00 H new ATOM 109 N ALA A 9 13.564 6.812 -4.435 1.00 1.00 N ATOM 110 CA ALA A 9 12.854 6.444 -3.209 1.00 1.00 C ATOM 111 C ALA A 9 11.354 6.169 -3.451 1.00 1.00 C ATOM 112 O ALA A 9 10.815 5.189 -2.936 1.00 1.00 O ATOM 113 CB ALA A 9 13.058 7.548 -2.165 1.00 1.00 C ATOM 0 H ALA A 9 13.933 7.763 -4.423 1.00 1.00 H new ATOM 0 HA ALA A 9 13.271 5.507 -2.839 1.00 1.00 H new ATOM 0 HB1 ALA A 9 12.532 7.283 -1.248 1.00 1.00 H new ATOM 0 HB2 ALA A 9 14.122 7.658 -1.955 1.00 1.00 H new ATOM 0 HB3 ALA A 9 12.665 8.489 -2.549 1.00 1.00 H new ATOM 119 N GLU A 10 10.680 6.982 -4.271 1.00 1.00 N ATOM 120 CA GLU A 10 9.277 6.768 -4.661 1.00 1.00 C ATOM 121 C GLU A 10 9.087 5.499 -5.509 1.00 1.00 C ATOM 122 O GLU A 10 8.144 4.741 -5.280 1.00 1.00 O ATOM 123 CB GLU A 10 8.744 7.996 -5.419 1.00 1.00 C ATOM 124 CG GLU A 10 8.475 9.183 -4.485 1.00 1.00 C ATOM 125 CD GLU A 10 8.061 10.426 -5.284 1.00 1.00 C ATOM 126 OE1 GLU A 10 6.847 10.559 -5.573 1.00 1.00 O ATOM 127 OE2 GLU A 10 8.950 11.249 -5.610 1.00 1.00 O ATOM 0 H GLU A 10 11.094 7.816 -4.688 1.00 1.00 H new ATOM 0 HA GLU A 10 8.707 6.628 -3.742 1.00 1.00 H new ATOM 0 HB2 GLU A 10 9.465 8.292 -6.181 1.00 1.00 H new ATOM 0 HB3 GLU A 10 7.824 7.729 -5.938 1.00 1.00 H new ATOM 0 HG2 GLU A 10 7.689 8.923 -3.777 1.00 1.00 H new ATOM 0 HG3 GLU A 10 9.369 9.402 -3.902 1.00 1.00 H new ATOM 134 N GLU A 11 9.997 5.207 -6.443 1.00 1.00 N ATOM 135 CA GLU A 11 9.990 3.944 -7.196 1.00 1.00 C ATOM 136 C GLU A 11 10.293 2.726 -6.308 1.00 1.00 C ATOM 137 O GLU A 11 9.700 1.661 -6.498 1.00 1.00 O ATOM 138 CB GLU A 11 10.988 4.011 -8.365 1.00 1.00 C ATOM 139 CG GLU A 11 10.539 4.934 -9.510 1.00 1.00 C ATOM 140 CD GLU A 11 9.342 4.358 -10.278 1.00 1.00 C ATOM 141 OE1 GLU A 11 9.574 3.547 -11.208 1.00 1.00 O ATOM 142 OE2 GLU A 11 8.190 4.720 -9.938 1.00 1.00 O ATOM 0 H GLU A 11 10.758 5.836 -6.700 1.00 1.00 H new ATOM 0 HA GLU A 11 8.981 3.813 -7.587 1.00 1.00 H new ATOM 0 HB2 GLU A 11 11.951 4.356 -7.989 1.00 1.00 H new ATOM 0 HB3 GLU A 11 11.140 3.006 -8.759 1.00 1.00 H new ATOM 0 HG2 GLU A 11 10.274 5.911 -9.105 1.00 1.00 H new ATOM 0 HG3 GLU A 11 11.370 5.089 -10.198 1.00 1.00 H new ATOM 149 N SER A 12 11.154 2.875 -5.297 1.00 1.00 N ATOM 150 CA SER A 12 11.395 1.829 -4.292 1.00 1.00 C ATOM 151 C SER A 12 10.155 1.572 -3.431 1.00 1.00 C ATOM 152 O SER A 12 9.823 0.419 -3.160 1.00 1.00 O ATOM 153 CB SER A 12 12.584 2.180 -3.389 1.00 1.00 C ATOM 154 OG SER A 12 13.778 2.305 -4.143 1.00 1.00 O ATOM 0 H SER A 12 11.704 3.721 -5.150 1.00 1.00 H new ATOM 0 HA SER A 12 11.629 0.918 -4.843 1.00 1.00 H new ATOM 0 HB2 SER A 12 12.383 3.114 -2.864 1.00 1.00 H new ATOM 0 HB3 SER A 12 12.709 1.408 -2.630 1.00 1.00 H new ATOM 0 HG SER A 12 13.758 3.143 -4.650 1.00 1.00 H new ATOM 160 N LEU A 13 9.413 2.619 -3.054 1.00 1.00 N ATOM 161 CA LEU A 13 8.131 2.489 -2.352 1.00 1.00 C ATOM 162 C LEU A 13 7.090 1.795 -3.243 1.00 1.00 C ATOM 163 O LEU A 13 6.418 0.874 -2.786 1.00 1.00 O ATOM 164 CB LEU A 13 7.694 3.889 -1.876 1.00 1.00 C ATOM 165 CG LEU A 13 6.475 3.941 -0.930 1.00 1.00 C ATOM 166 CD1 LEU A 13 6.409 5.333 -0.294 1.00 1.00 C ATOM 167 CD2 LEU A 13 5.129 3.708 -1.627 1.00 1.00 C ATOM 0 H LEU A 13 9.686 3.586 -3.228 1.00 1.00 H new ATOM 0 HA LEU A 13 8.233 1.851 -1.474 1.00 1.00 H new ATOM 0 HB2 LEU A 13 8.539 4.358 -1.371 1.00 1.00 H new ATOM 0 HB3 LEU A 13 7.471 4.495 -2.754 1.00 1.00 H new ATOM 0 HG LEU A 13 6.621 3.139 -0.207 1.00 1.00 H new ATOM 0 HD11 LEU A 13 5.552 5.386 0.378 1.00 1.00 H new ATOM 0 HD12 LEU A 13 7.324 5.520 0.269 1.00 1.00 H new ATOM 0 HD13 LEU A 13 6.304 6.086 -1.076 1.00 1.00 H new ATOM 0 HD21 LEU A 13 4.325 3.761 -0.893 1.00 1.00 H new ATOM 0 HD22 LEU A 13 4.976 4.473 -2.388 1.00 1.00 H new ATOM 0 HD23 LEU A 13 5.128 2.724 -2.096 1.00 1.00 H new ATOM 179 N ALA A 14 7.002 2.155 -4.527 1.00 1.00 N ATOM 180 CA ALA A 14 6.124 1.481 -5.485 1.00 1.00 C ATOM 181 C ALA A 14 6.449 -0.022 -5.622 1.00 1.00 C ATOM 182 O ALA A 14 5.539 -0.845 -5.717 1.00 1.00 O ATOM 183 CB ALA A 14 6.195 2.210 -6.832 1.00 1.00 C ATOM 0 H ALA A 14 7.539 2.923 -4.931 1.00 1.00 H new ATOM 0 HA ALA A 14 5.101 1.526 -5.111 1.00 1.00 H new ATOM 0 HB1 ALA A 14 5.543 1.712 -7.550 1.00 1.00 H new ATOM 0 HB2 ALA A 14 5.872 3.243 -6.704 1.00 1.00 H new ATOM 0 HB3 ALA A 14 7.220 2.193 -7.201 1.00 1.00 H new ATOM 189 N TYR A 15 7.732 -0.397 -5.564 1.00 1.00 N ATOM 190 CA TYR A 15 8.170 -1.798 -5.530 1.00 1.00 C ATOM 191 C TYR A 15 7.779 -2.513 -4.220 1.00 1.00 C ATOM 192 O TYR A 15 7.288 -3.645 -4.259 1.00 1.00 O ATOM 193 CB TYR A 15 9.682 -1.871 -5.775 1.00 1.00 C ATOM 194 CG TYR A 15 10.204 -3.292 -5.853 1.00 1.00 C ATOM 195 CD1 TYR A 15 9.921 -4.076 -6.988 1.00 1.00 C ATOM 196 CD2 TYR A 15 10.931 -3.843 -4.778 1.00 1.00 C ATOM 197 CE1 TYR A 15 10.360 -5.411 -7.049 1.00 1.00 C ATOM 198 CE2 TYR A 15 11.376 -5.178 -4.839 1.00 1.00 C ATOM 199 CZ TYR A 15 11.089 -5.968 -5.976 1.00 1.00 C ATOM 200 OH TYR A 15 11.511 -7.262 -6.044 1.00 1.00 O ATOM 0 H TYR A 15 8.503 0.270 -5.539 1.00 1.00 H new ATOM 0 HA TYR A 15 7.650 -2.329 -6.328 1.00 1.00 H new ATOM 0 HB2 TYR A 15 9.919 -1.352 -6.704 1.00 1.00 H new ATOM 0 HB3 TYR A 15 10.200 -1.344 -4.974 1.00 1.00 H new ATOM 0 HD1 TYR A 15 9.367 -3.652 -7.812 1.00 1.00 H new ATOM 0 HD2 TYR A 15 11.147 -3.241 -3.907 1.00 1.00 H new ATOM 0 HE1 TYR A 15 10.139 -6.011 -7.919 1.00 1.00 H new ATOM 0 HE2 TYR A 15 11.937 -5.598 -4.017 1.00 1.00 H new ATOM 0 HH TYR A 15 11.999 -7.490 -5.226 1.00 1.00 H new ATOM 210 N ARG A 16 7.918 -1.851 -3.060 1.00 1.00 N ATOM 211 CA ARG A 16 7.420 -2.362 -1.766 1.00 1.00 C ATOM 212 C ARG A 16 5.902 -2.555 -1.764 1.00 1.00 C ATOM 213 O ARG A 16 5.420 -3.554 -1.237 1.00 1.00 O ATOM 214 CB ARG A 16 7.829 -1.433 -0.607 1.00 1.00 C ATOM 215 CG ARG A 16 9.343 -1.430 -0.337 1.00 1.00 C ATOM 216 CD ARG A 16 9.735 -0.423 0.752 1.00 1.00 C ATOM 217 NE ARG A 16 9.170 -0.775 2.068 1.00 1.00 N ATOM 218 CZ ARG A 16 9.212 -0.029 3.161 1.00 1.00 C ATOM 219 NH1 ARG A 16 9.789 1.145 3.193 1.00 1.00 N ATOM 220 NH2 ARG A 16 8.665 -0.454 4.267 1.00 1.00 N ATOM 0 H ARG A 16 8.379 -0.944 -2.990 1.00 1.00 H new ATOM 0 HA ARG A 16 7.882 -3.338 -1.621 1.00 1.00 H new ATOM 0 HB2 ARG A 16 7.505 -0.417 -0.833 1.00 1.00 H new ATOM 0 HB3 ARG A 16 7.306 -1.741 0.298 1.00 1.00 H new ATOM 0 HG2 ARG A 16 9.659 -2.429 -0.036 1.00 1.00 H new ATOM 0 HG3 ARG A 16 9.874 -1.191 -1.258 1.00 1.00 H new ATOM 0 HD2 ARG A 16 10.821 -0.376 0.826 1.00 1.00 H new ATOM 0 HD3 ARG A 16 9.392 0.571 0.465 1.00 1.00 H new ATOM 0 HE ARG A 16 8.703 -1.679 2.143 1.00 1.00 H new ATOM 0 HH11 ARG A 16 10.230 1.519 2.353 1.00 1.00 H new ATOM 0 HH12 ARG A 16 9.797 1.686 4.058 1.00 1.00 H new ATOM 0 HH21 ARG A 16 8.203 -1.363 4.291 1.00 1.00 H new ATOM 0 HH22 ARG A 16 8.699 0.123 5.107 1.00 1.00 H new ATOM 234 N GLU A 17 5.152 -1.639 -2.374 1.00 1.00 N ATOM 235 CA GLU A 17 3.701 -1.765 -2.553 1.00 1.00 C ATOM 236 C GLU A 17 3.336 -2.912 -3.509 1.00 1.00 C ATOM 237 O GLU A 17 2.432 -3.684 -3.212 1.00 1.00 O ATOM 238 CB GLU A 17 3.112 -0.423 -3.021 1.00 1.00 C ATOM 239 CG GLU A 17 1.592 -0.361 -2.816 1.00 1.00 C ATOM 240 CD GLU A 17 1.008 0.957 -3.341 1.00 1.00 C ATOM 241 OE1 GLU A 17 0.934 1.921 -2.546 1.00 1.00 O ATOM 242 OE2 GLU A 17 0.623 1.001 -4.533 1.00 1.00 O ATOM 0 H GLU A 17 5.536 -0.778 -2.763 1.00 1.00 H new ATOM 0 HA GLU A 17 3.259 -2.019 -1.589 1.00 1.00 H new ATOM 0 HB2 GLU A 17 3.585 0.392 -2.473 1.00 1.00 H new ATOM 0 HB3 GLU A 17 3.342 -0.274 -4.076 1.00 1.00 H new ATOM 0 HG2 GLU A 17 1.120 -1.199 -3.329 1.00 1.00 H new ATOM 0 HG3 GLU A 17 1.362 -0.465 -1.756 1.00 1.00 H new ATOM 249 N ASP A 18 4.066 -3.097 -4.611 1.00 1.00 N ATOM 250 CA ASP A 18 3.870 -4.219 -5.539 1.00 1.00 C ATOM 251 C ASP A 18 4.126 -5.595 -4.896 1.00 1.00 C ATOM 252 O ASP A 18 3.468 -6.567 -5.262 1.00 1.00 O ATOM 253 CB ASP A 18 4.768 -4.016 -6.768 1.00 1.00 C ATOM 254 CG ASP A 18 4.580 -5.129 -7.799 1.00 1.00 C ATOM 255 OD1 ASP A 18 3.452 -5.228 -8.335 1.00 1.00 O ATOM 256 OD2 ASP A 18 5.558 -5.870 -8.060 1.00 1.00 O ATOM 0 H ASP A 18 4.818 -2.467 -4.889 1.00 1.00 H new ATOM 0 HA ASP A 18 2.821 -4.222 -5.834 1.00 1.00 H new ATOM 0 HB2 ASP A 18 4.543 -3.053 -7.227 1.00 1.00 H new ATOM 0 HB3 ASP A 18 5.811 -3.984 -6.454 1.00 1.00 H new ATOM 261 N ASP A 19 5.016 -5.695 -3.902 1.00 1.00 N ATOM 262 CA ASP A 19 5.178 -6.924 -3.108 1.00 1.00 C ATOM 263 C ASP A 19 3.886 -7.331 -2.367 1.00 1.00 C ATOM 264 O ASP A 19 3.626 -8.521 -2.174 1.00 1.00 O ATOM 265 CB ASP A 19 6.355 -6.777 -2.134 1.00 1.00 C ATOM 266 CG ASP A 19 6.680 -8.108 -1.444 1.00 1.00 C ATOM 267 OD1 ASP A 19 7.321 -8.965 -2.098 1.00 1.00 O ATOM 268 OD2 ASP A 19 6.291 -8.268 -0.263 1.00 1.00 O ATOM 0 H ASP A 19 5.639 -4.937 -3.625 1.00 1.00 H new ATOM 0 HA ASP A 19 5.396 -7.733 -3.805 1.00 1.00 H new ATOM 0 HB2 ASP A 19 7.233 -6.421 -2.673 1.00 1.00 H new ATOM 0 HB3 ASP A 19 6.116 -6.025 -1.382 1.00 1.00 H new ATOM 273 N LEU A 20 3.049 -6.358 -1.981 1.00 1.00 N ATOM 274 CA LEU A 20 1.759 -6.599 -1.321 1.00 1.00 C ATOM 275 C LEU A 20 0.728 -7.291 -2.239 1.00 1.00 C ATOM 276 O LEU A 20 -0.254 -7.843 -1.741 1.00 1.00 O ATOM 277 CB LEU A 20 1.188 -5.286 -0.745 1.00 1.00 C ATOM 278 CG LEU A 20 2.176 -4.396 0.031 1.00 1.00 C ATOM 279 CD1 LEU A 20 1.478 -3.124 0.514 1.00 1.00 C ATOM 280 CD2 LEU A 20 2.826 -5.102 1.223 1.00 1.00 C ATOM 0 H LEU A 20 3.252 -5.368 -2.120 1.00 1.00 H new ATOM 0 HA LEU A 20 1.954 -7.291 -0.502 1.00 1.00 H new ATOM 0 HB2 LEU A 20 0.775 -4.702 -1.568 1.00 1.00 H new ATOM 0 HB3 LEU A 20 0.359 -5.535 -0.083 1.00 1.00 H new ATOM 0 HG LEU A 20 2.974 -4.150 -0.669 1.00 1.00 H new ATOM 0 HD11 LEU A 20 2.189 -2.504 1.061 1.00 1.00 H new ATOM 0 HD12 LEU A 20 1.098 -2.569 -0.344 1.00 1.00 H new ATOM 0 HD13 LEU A 20 0.649 -3.390 1.170 1.00 1.00 H new ATOM 0 HD21 LEU A 20 3.510 -4.416 1.723 1.00 1.00 H new ATOM 0 HD22 LEU A 20 2.053 -5.419 1.923 1.00 1.00 H new ATOM 0 HD23 LEU A 20 3.378 -5.974 0.873 1.00 1.00 H new ATOM 292 N ARG A 21 0.958 -7.331 -3.564 1.00 1.00 N ATOM 293 CA ARG A 21 0.134 -8.078 -4.546 1.00 1.00 C ATOM 294 C ARG A 21 0.131 -9.602 -4.309 1.00 1.00 C ATOM 295 O ARG A 21 -0.712 -10.319 -4.848 1.00 1.00 O ATOM 296 CB ARG A 21 0.608 -7.728 -5.975 1.00 1.00 C ATOM 297 CG ARG A 21 -0.471 -7.914 -7.057 1.00 1.00 C ATOM 298 CD ARG A 21 0.068 -7.765 -8.491 1.00 1.00 C ATOM 299 NE ARG A 21 0.694 -6.451 -8.732 1.00 1.00 N ATOM 300 CZ ARG A 21 0.305 -5.488 -9.550 1.00 1.00 C ATOM 301 NH1 ARG A 21 -0.744 -5.561 -10.328 1.00 1.00 N ATOM 302 NH2 ARG A 21 0.984 -4.380 -9.602 1.00 1.00 N ATOM 0 H ARG A 21 1.738 -6.836 -3.996 1.00 1.00 H new ATOM 0 HA ARG A 21 -0.902 -7.767 -4.415 1.00 1.00 H new ATOM 0 HB2 ARG A 21 0.948 -6.693 -5.990 1.00 1.00 H new ATOM 0 HB3 ARG A 21 1.468 -8.350 -6.224 1.00 1.00 H new ATOM 0 HG2 ARG A 21 -0.919 -8.901 -6.946 1.00 1.00 H new ATOM 0 HG3 ARG A 21 -1.264 -7.184 -6.897 1.00 1.00 H new ATOM 0 HD2 ARG A 21 0.798 -8.551 -8.683 1.00 1.00 H new ATOM 0 HD3 ARG A 21 -0.749 -7.909 -9.198 1.00 1.00 H new ATOM 0 HE ARG A 21 1.540 -6.260 -8.196 1.00 1.00 H new ATOM 0 HH11 ARG A 21 -1.321 -6.402 -10.328 1.00 1.00 H new ATOM 0 HH12 ARG A 21 -0.985 -4.777 -10.935 1.00 1.00 H new ATOM 0 HH21 ARG A 21 1.809 -4.260 -9.015 1.00 1.00 H new ATOM 0 HH22 ARG A 21 0.691 -3.632 -10.230 1.00 1.00 H new ATOM 316 N GLY A 22 1.045 -10.105 -3.474 1.00 1.00 N ATOM 317 CA GLY A 22 1.117 -11.506 -3.039 1.00 1.00 C ATOM 318 C GLY A 22 0.559 -11.757 -1.629 1.00 1.00 C ATOM 319 O GLY A 22 0.922 -12.761 -1.012 1.00 1.00 O ATOM 0 H GLY A 22 1.782 -9.529 -3.067 1.00 1.00 H new ATOM 0 HA2 GLY A 22 0.569 -12.124 -3.750 1.00 1.00 H new ATOM 0 HA3 GLY A 22 2.157 -11.831 -3.069 1.00 1.00 H new ATOM 323 N ARG A 23 -0.283 -10.855 -1.095 1.00 1.00 N ATOM 324 CA ARG A 23 -0.750 -10.859 0.306 1.00 1.00 C ATOM 325 C ARG A 23 -2.265 -10.669 0.450 1.00 1.00 C ATOM 326 O ARG A 23 -2.947 -10.170 -0.450 1.00 1.00 O ATOM 327 CB ARG A 23 -0.034 -9.756 1.102 1.00 1.00 C ATOM 328 CG ARG A 23 1.498 -9.831 1.040 1.00 1.00 C ATOM 329 CD ARG A 23 2.057 -8.857 2.075 1.00 1.00 C ATOM 330 NE ARG A 23 3.509 -8.662 1.928 1.00 1.00 N ATOM 331 CZ ARG A 23 4.314 -8.117 2.826 1.00 1.00 C ATOM 332 NH1 ARG A 23 3.904 -7.736 4.009 1.00 1.00 N ATOM 333 NH2 ARG A 23 5.574 -7.931 2.548 1.00 1.00 N ATOM 0 H ARG A 23 -0.668 -10.083 -1.638 1.00 1.00 H new ATOM 0 HA ARG A 23 -0.509 -11.846 0.700 1.00 1.00 H new ATOM 0 HB2 ARG A 23 -0.355 -8.785 0.725 1.00 1.00 H new ATOM 0 HB3 ARG A 23 -0.348 -9.813 2.144 1.00 1.00 H new ATOM 0 HG2 ARG A 23 1.839 -10.845 1.247 1.00 1.00 H new ATOM 0 HG3 ARG A 23 1.853 -9.573 0.042 1.00 1.00 H new ATOM 0 HD2 ARG A 23 1.551 -7.896 1.978 1.00 1.00 H new ATOM 0 HD3 ARG A 23 1.842 -9.230 3.076 1.00 1.00 H new ATOM 0 HE ARG A 23 3.933 -8.975 1.055 1.00 1.00 H new ATOM 0 HH11 ARG A 23 2.926 -7.854 4.272 1.00 1.00 H new ATOM 0 HH12 ARG A 23 4.563 -7.321 4.668 1.00 1.00 H new ATOM 0 HH21 ARG A 23 5.941 -8.206 1.637 1.00 1.00 H new ATOM 0 HH22 ARG A 23 6.193 -7.511 3.242 1.00 1.00 H new ATOM 347 N LEU A 24 -2.772 -11.036 1.628 1.00 1.00 N ATOM 348 CA LEU A 24 -4.140 -10.748 2.067 1.00 1.00 C ATOM 349 C LEU A 24 -4.192 -9.376 2.765 1.00 1.00 C ATOM 350 O LEU A 24 -3.227 -8.923 3.386 1.00 1.00 O ATOM 351 CB LEU A 24 -4.634 -11.825 3.064 1.00 1.00 C ATOM 352 CG LEU A 24 -5.068 -13.209 2.541 1.00 1.00 C ATOM 353 CD1 LEU A 24 -6.169 -13.123 1.488 1.00 1.00 C ATOM 354 CD2 LEU A 24 -3.912 -14.029 1.967 1.00 1.00 C ATOM 0 H LEU A 24 -2.231 -11.554 2.320 1.00 1.00 H new ATOM 0 HA LEU A 24 -4.782 -10.747 1.186 1.00 1.00 H new ATOM 0 HB2 LEU A 24 -3.837 -11.987 3.790 1.00 1.00 H new ATOM 0 HB3 LEU A 24 -5.479 -11.403 3.607 1.00 1.00 H new ATOM 0 HG LEU A 24 -5.453 -13.717 3.425 1.00 1.00 H new ATOM 0 HD11 LEU A 24 -6.434 -14.127 1.156 1.00 1.00 H new ATOM 0 HD12 LEU A 24 -7.046 -12.639 1.917 1.00 1.00 H new ATOM 0 HD13 LEU A 24 -5.814 -12.542 0.637 1.00 1.00 H new ATOM 0 HD21 LEU A 24 -4.287 -14.991 1.617 1.00 1.00 H new ATOM 0 HD22 LEU A 24 -3.462 -13.490 1.133 1.00 1.00 H new ATOM 0 HD23 LEU A 24 -3.162 -14.192 2.741 1.00 1.00 H new ATOM 366 N GLY A 25 -5.369 -8.762 2.736 1.00 1.00 N ATOM 367 CA GLY A 25 -5.727 -7.534 3.437 1.00 1.00 C ATOM 368 C GLY A 25 -7.125 -7.584 4.055 1.00 1.00 C ATOM 369 O GLY A 25 -7.785 -8.623 4.069 1.00 1.00 O ATOM 0 H GLY A 25 -6.147 -9.131 2.189 1.00 1.00 H new ATOM 0 HA2 GLY A 25 -4.995 -7.344 4.222 1.00 1.00 H new ATOM 0 HA3 GLY A 25 -5.673 -6.696 2.742 1.00 1.00 H new ATOM 373 N LYS A 26 -7.566 -6.442 4.581 1.00 1.00 N ATOM 374 CA LYS A 26 -8.757 -6.244 5.410 1.00 1.00 C ATOM 375 C LYS A 26 -9.365 -4.876 5.108 1.00 1.00 C ATOM 376 O LYS A 26 -8.704 -3.846 5.254 1.00 1.00 O ATOM 377 CB LYS A 26 -8.305 -6.391 6.872 1.00 1.00 C ATOM 378 CG LYS A 26 -9.360 -6.084 7.945 1.00 1.00 C ATOM 379 CD LYS A 26 -10.646 -6.916 7.834 1.00 1.00 C ATOM 380 CE LYS A 26 -10.415 -8.436 7.768 1.00 1.00 C ATOM 381 NZ LYS A 26 -9.683 -8.950 8.944 1.00 1.00 N ATOM 0 H LYS A 26 -7.065 -5.567 4.429 1.00 1.00 H new ATOM 0 HA LYS A 26 -9.538 -6.976 5.204 1.00 1.00 H new ATOM 0 HB2 LYS A 26 -7.953 -7.412 7.020 1.00 1.00 H new ATOM 0 HB3 LYS A 26 -7.451 -5.733 7.034 1.00 1.00 H new ATOM 0 HG2 LYS A 26 -8.919 -6.251 8.928 1.00 1.00 H new ATOM 0 HG3 LYS A 26 -9.621 -5.027 7.888 1.00 1.00 H new ATOM 0 HD2 LYS A 26 -11.283 -6.694 8.690 1.00 1.00 H new ATOM 0 HD3 LYS A 26 -11.190 -6.604 6.943 1.00 1.00 H new ATOM 0 HE2 LYS A 26 -11.377 -8.943 7.693 1.00 1.00 H new ATOM 0 HE3 LYS A 26 -9.857 -8.676 6.863 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 -9.554 -9.978 8.850 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 -8.753 -8.488 9.003 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 -10.226 -8.747 9.807 1.00 1.00 H new ATOM 395 N VAL A 27 -10.599 -4.878 4.610 1.00 1.00 N ATOM 396 CA VAL A 27 -11.326 -3.665 4.187 1.00 1.00 C ATOM 397 C VAL A 27 -11.811 -2.856 5.397 1.00 1.00 C ATOM 398 O VAL A 27 -12.496 -3.395 6.269 1.00 1.00 O ATOM 399 CB VAL A 27 -12.482 -4.036 3.227 1.00 1.00 C ATOM 400 CG1 VAL A 27 -13.357 -2.841 2.849 1.00 1.00 C ATOM 401 CG2 VAL A 27 -11.876 -4.589 1.933 1.00 1.00 C ATOM 0 H VAL A 27 -11.139 -5.734 4.483 1.00 1.00 H new ATOM 0 HA VAL A 27 -10.638 -3.021 3.639 1.00 1.00 H new ATOM 0 HB VAL A 27 -13.108 -4.762 3.745 1.00 1.00 H new ATOM 0 HG11 VAL A 27 -14.148 -3.168 2.175 1.00 1.00 H new ATOM 0 HG12 VAL A 27 -13.800 -2.416 3.749 1.00 1.00 H new ATOM 0 HG13 VAL A 27 -12.747 -2.086 2.353 1.00 1.00 H new ATOM 0 HG21 VAL A 27 -12.676 -4.857 1.242 1.00 1.00 H new ATOM 0 HG22 VAL A 27 -11.240 -3.831 1.476 1.00 1.00 H new ATOM 0 HG23 VAL A 27 -11.280 -5.474 2.159 1.00 1.00 H new ATOM 411 N ILE A 28 -11.491 -1.553 5.422 1.00 1.00 N ATOM 412 CA ILE A 28 -11.860 -0.598 6.491 1.00 1.00 C ATOM 413 C ILE A 28 -12.799 0.531 6.020 1.00 1.00 C ATOM 414 O ILE A 28 -13.313 1.295 6.839 1.00 1.00 O ATOM 415 CB ILE A 28 -10.628 -0.016 7.228 1.00 1.00 C ATOM 416 CG1 ILE A 28 -9.731 0.904 6.358 1.00 1.00 C ATOM 417 CG2 ILE A 28 -9.857 -1.132 7.955 1.00 1.00 C ATOM 418 CD1 ILE A 28 -8.559 0.226 5.651 1.00 1.00 C ATOM 0 H ILE A 28 -10.950 -1.116 4.676 1.00 1.00 H new ATOM 0 HA ILE A 28 -12.424 -1.197 7.206 1.00 1.00 H new ATOM 0 HB ILE A 28 -11.010 0.667 7.987 1.00 1.00 H new ATOM 0 HG12 ILE A 28 -10.357 1.380 5.604 1.00 1.00 H new ATOM 0 HG13 ILE A 28 -9.336 1.698 6.992 1.00 1.00 H new ATOM 0 HG21 ILE A 28 -8.995 -0.705 8.467 1.00 1.00 H new ATOM 0 HG22 ILE A 28 -10.511 -1.611 8.684 1.00 1.00 H new ATOM 0 HG23 ILE A 28 -9.518 -1.872 7.230 1.00 1.00 H new ATOM 0 HD11 ILE A 28 -8.005 0.966 5.074 1.00 1.00 H new ATOM 0 HD12 ILE A 28 -7.899 -0.225 6.392 1.00 1.00 H new ATOM 0 HD13 ILE A 28 -8.936 -0.547 4.982 1.00 1.00 H new ATOM 430 N THR A 29 -13.063 0.620 4.715 1.00 1.00 N ATOM 431 CA THR A 29 -14.097 1.478 4.105 1.00 1.00 C ATOM 432 C THR A 29 -14.679 0.692 2.936 1.00 1.00 C ATOM 433 O THR A 29 -13.918 0.206 2.100 1.00 1.00 O ATOM 434 CB THR A 29 -13.538 2.825 3.609 1.00 1.00 C ATOM 435 OG1 THR A 29 -12.890 3.530 4.648 1.00 1.00 O ATOM 436 CG2 THR A 29 -14.616 3.743 3.032 1.00 1.00 C ATOM 0 H THR A 29 -12.546 0.078 4.022 1.00 1.00 H new ATOM 0 HA THR A 29 -14.851 1.724 4.852 1.00 1.00 H new ATOM 0 HB THR A 29 -12.832 2.564 2.821 1.00 1.00 H new ATOM 0 HG1 THR A 29 -12.545 4.379 4.301 1.00 1.00 H new ATOM 0 HG21 THR A 29 -14.160 4.676 2.700 1.00 1.00 H new ATOM 0 HG22 THR A 29 -15.097 3.253 2.186 1.00 1.00 H new ATOM 0 HG23 THR A 29 -15.361 3.956 3.799 1.00 1.00 H new ATOM 444 N ALA A 30 -16.001 0.520 2.900 1.00 1.00 N ATOM 445 CA ALA A 30 -16.686 -0.382 1.977 1.00 1.00 C ATOM 446 C ALA A 30 -16.360 -0.105 0.499 1.00 1.00 C ATOM 447 O ALA A 30 -16.291 1.048 0.069 1.00 1.00 O ATOM 448 CB ALA A 30 -18.194 -0.301 2.241 1.00 1.00 C ATOM 0 H ALA A 30 -16.637 1.015 3.525 1.00 1.00 H new ATOM 0 HA ALA A 30 -16.326 -1.394 2.163 1.00 1.00 H new ATOM 0 HB1 ALA A 30 -18.719 -0.970 1.559 1.00 1.00 H new ATOM 0 HB2 ALA A 30 -18.400 -0.597 3.270 1.00 1.00 H new ATOM 0 HB3 ALA A 30 -18.537 0.722 2.082 1.00 1.00 H new ATOM 454 N VAL A 31 -16.217 -1.177 -0.283 1.00 1.00 N ATOM 455 CA VAL A 31 -15.810 -1.150 -1.695 1.00 1.00 C ATOM 456 C VAL A 31 -16.964 -1.724 -2.525 1.00 1.00 C ATOM 457 O VAL A 31 -17.086 -2.946 -2.616 1.00 1.00 O ATOM 458 CB VAL A 31 -14.508 -1.953 -1.918 1.00 1.00 C ATOM 459 CG1 VAL A 31 -14.020 -1.793 -3.356 1.00 1.00 C ATOM 460 CG2 VAL A 31 -13.351 -1.552 -0.996 1.00 1.00 C ATOM 0 H VAL A 31 -16.387 -2.123 0.059 1.00 1.00 H new ATOM 0 HA VAL A 31 -15.600 -0.126 -2.004 1.00 1.00 H new ATOM 0 HB VAL A 31 -14.778 -2.984 -1.690 1.00 1.00 H new ATOM 0 HG11 VAL A 31 -13.103 -2.365 -3.495 1.00 1.00 H new ATOM 0 HG12 VAL A 31 -14.783 -2.160 -4.042 1.00 1.00 H new ATOM 0 HG13 VAL A 31 -13.825 -0.740 -3.559 1.00 1.00 H new ATOM 0 HG21 VAL A 31 -12.478 -2.165 -1.220 1.00 1.00 H new ATOM 0 HG22 VAL A 31 -13.107 -0.501 -1.154 1.00 1.00 H new ATOM 0 HG23 VAL A 31 -13.644 -1.704 0.043 1.00 1.00 H new ATOM 470 N PRO A 32 -17.880 -0.896 -3.064 1.00 1.00 N ATOM 471 CA PRO A 32 -19.044 -1.389 -3.798 1.00 1.00 C ATOM 472 C PRO A 32 -18.666 -1.980 -5.166 1.00 1.00 C ATOM 473 O PRO A 32 -17.538 -1.834 -5.645 1.00 1.00 O ATOM 474 CB PRO A 32 -19.992 -0.191 -3.907 1.00 1.00 C ATOM 475 CG PRO A 32 -19.028 0.979 -3.948 1.00 1.00 C ATOM 476 CD PRO A 32 -17.904 0.557 -3.003 1.00 1.00 C ATOM 0 HA PRO A 32 -19.522 -2.220 -3.279 1.00 1.00 H new ATOM 0 HB2 PRO A 32 -20.610 -0.241 -4.804 1.00 1.00 H new ATOM 0 HB3 PRO A 32 -20.670 -0.130 -3.056 1.00 1.00 H new ATOM 0 HG2 PRO A 32 -18.657 1.157 -4.957 1.00 1.00 H new ATOM 0 HG3 PRO A 32 -19.504 1.902 -3.617 1.00 1.00 H new ATOM 0 HD2 PRO A 32 -16.949 0.980 -3.314 1.00 1.00 H new ATOM 0 HD3 PRO A 32 -18.092 0.905 -1.987 1.00 1.00 H new ATOM 484 N VAL A 33 -19.647 -2.618 -5.813 1.00 1.00 N ATOM 485 CA VAL A 33 -19.480 -3.444 -7.029 1.00 1.00 C ATOM 486 C VAL A 33 -18.836 -2.734 -8.229 1.00 1.00 C ATOM 487 O VAL A 33 -18.338 -3.399 -9.132 1.00 1.00 O ATOM 488 CB VAL A 33 -20.822 -4.071 -7.474 1.00 1.00 C ATOM 489 CG1 VAL A 33 -21.553 -4.775 -6.322 1.00 1.00 C ATOM 490 CG2 VAL A 33 -21.781 -3.052 -8.103 1.00 1.00 C ATOM 0 H VAL A 33 -20.616 -2.576 -5.499 1.00 1.00 H new ATOM 0 HA VAL A 33 -18.776 -4.216 -6.719 1.00 1.00 H new ATOM 0 HB VAL A 33 -20.541 -4.805 -8.229 1.00 1.00 H new ATOM 0 HG11 VAL A 33 -22.489 -5.197 -6.689 1.00 1.00 H new ATOM 0 HG12 VAL A 33 -20.925 -5.573 -5.926 1.00 1.00 H new ATOM 0 HG13 VAL A 33 -21.765 -4.055 -5.532 1.00 1.00 H new ATOM 0 HG21 VAL A 33 -22.704 -3.553 -8.394 1.00 1.00 H new ATOM 0 HG22 VAL A 33 -22.006 -2.269 -7.379 1.00 1.00 H new ATOM 0 HG23 VAL A 33 -21.315 -2.609 -8.983 1.00 1.00 H new ATOM 500 N ASP A 34 -18.852 -1.402 -8.262 1.00 1.00 N ATOM 501 CA ASP A 34 -18.289 -0.565 -9.332 1.00 1.00 C ATOM 502 C ASP A 34 -17.699 0.751 -8.769 1.00 1.00 C ATOM 503 O ASP A 34 -17.746 1.799 -9.417 1.00 1.00 O ATOM 504 CB ASP A 34 -19.385 -0.337 -10.393 1.00 1.00 C ATOM 505 CG ASP A 34 -18.860 0.319 -11.679 1.00 1.00 C ATOM 506 OD1 ASP A 34 -17.813 -0.141 -12.194 1.00 1.00 O ATOM 507 OD2 ASP A 34 -19.529 1.259 -12.176 1.00 1.00 O ATOM 0 H ASP A 34 -19.274 -0.850 -7.515 1.00 1.00 H new ATOM 0 HA ASP A 34 -17.449 -1.071 -9.808 1.00 1.00 H new ATOM 0 HB2 ASP A 34 -19.844 -1.294 -10.643 1.00 1.00 H new ATOM 0 HB3 ASP A 34 -20.168 0.290 -9.967 1.00 1.00 H new ATOM 512 N GLY A 35 -17.187 0.713 -7.531 1.00 1.00 N ATOM 513 CA GLY A 35 -16.725 1.895 -6.783 1.00 1.00 C ATOM 514 C GLY A 35 -15.462 1.667 -5.944 1.00 1.00 C ATOM 515 O GLY A 35 -14.717 0.706 -6.154 1.00 1.00 O ATOM 0 H GLY A 35 -17.079 -0.157 -7.009 1.00 1.00 H new ATOM 0 HA2 GLY A 35 -16.535 2.704 -7.489 1.00 1.00 H new ATOM 0 HA3 GLY A 35 -17.527 2.228 -6.125 1.00 1.00 H new ATOM 519 N PHE A 36 -15.231 2.569 -4.984 1.00 1.00 N ATOM 520 CA PHE A 36 -13.988 2.679 -4.211 1.00 1.00 C ATOM 521 C PHE A 36 -14.236 2.708 -2.694 1.00 1.00 C ATOM 522 O PHE A 36 -15.216 3.285 -2.216 1.00 1.00 O ATOM 523 CB PHE A 36 -13.220 3.956 -4.602 1.00 1.00 C ATOM 524 CG PHE A 36 -12.919 4.156 -6.079 1.00 1.00 C ATOM 525 CD1 PHE A 36 -13.917 4.642 -6.946 1.00 1.00 C ATOM 526 CD2 PHE A 36 -11.627 3.907 -6.578 1.00 1.00 C ATOM 527 CE1 PHE A 36 -13.637 4.835 -8.310 1.00 1.00 C ATOM 528 CE2 PHE A 36 -11.343 4.111 -7.942 1.00 1.00 C ATOM 529 CZ PHE A 36 -12.350 4.567 -8.810 1.00 1.00 C ATOM 0 H PHE A 36 -15.926 3.265 -4.715 1.00 1.00 H new ATOM 0 HA PHE A 36 -13.402 1.791 -4.448 1.00 1.00 H new ATOM 0 HB2 PHE A 36 -13.793 4.816 -4.254 1.00 1.00 H new ATOM 0 HB3 PHE A 36 -12.274 3.962 -4.060 1.00 1.00 H new ATOM 0 HD1 PHE A 36 -14.901 4.867 -6.562 1.00 1.00 H new ATOM 0 HD2 PHE A 36 -10.851 3.558 -5.913 1.00 1.00 H new ATOM 0 HE1 PHE A 36 -14.411 5.189 -8.975 1.00 1.00 H new ATOM 0 HE2 PHE A 36 -10.351 3.917 -8.321 1.00 1.00 H new ATOM 0 HZ PHE A 36 -12.136 4.711 -9.859 1.00 1.00 H new ATOM 539 N GLY A 37 -13.303 2.119 -1.946 1.00 1.00 N ATOM 540 CA GLY A 37 -13.202 2.159 -0.483 1.00 1.00 C ATOM 541 C GLY A 37 -11.736 2.086 -0.041 1.00 1.00 C ATOM 542 O GLY A 37 -10.866 2.649 -0.704 1.00 1.00 O ATOM 0 H GLY A 37 -12.554 1.569 -2.367 1.00 1.00 H new ATOM 0 HA2 GLY A 37 -13.656 3.076 -0.107 1.00 1.00 H new ATOM 0 HA3 GLY A 37 -13.759 1.327 -0.052 1.00 1.00 H new ATOM 546 N GLU A 38 -11.441 1.405 1.069 1.00 1.00 N ATOM 547 CA GLU A 38 -10.099 1.355 1.679 1.00 1.00 C ATOM 548 C GLU A 38 -9.764 -0.022 2.262 1.00 1.00 C ATOM 549 O GLU A 38 -10.634 -0.718 2.787 1.00 1.00 O ATOM 550 CB GLU A 38 -9.971 2.365 2.832 1.00 1.00 C ATOM 551 CG GLU A 38 -10.022 3.832 2.409 1.00 1.00 C ATOM 552 CD GLU A 38 -9.877 4.802 3.595 1.00 1.00 C ATOM 553 OE1 GLU A 38 -9.079 4.511 4.519 1.00 1.00 O ATOM 554 OE2 GLU A 38 -10.533 5.872 3.557 1.00 1.00 O ATOM 0 H GLU A 38 -12.136 0.862 1.582 1.00 1.00 H new ATOM 0 HA GLU A 38 -9.410 1.591 0.868 1.00 1.00 H new ATOM 0 HB2 GLU A 38 -10.772 2.180 3.548 1.00 1.00 H new ATOM 0 HB3 GLU A 38 -9.030 2.184 3.352 1.00 1.00 H new ATOM 0 HG2 GLU A 38 -9.227 4.025 1.689 1.00 1.00 H new ATOM 0 HG3 GLU A 38 -10.967 4.026 1.901 1.00 1.00 H new ATOM 561 N VAL A 39 -8.476 -0.366 2.256 1.00 1.00 N ATOM 562 CA VAL A 39 -7.919 -1.642 2.733 1.00 1.00 C ATOM 563 C VAL A 39 -6.582 -1.429 3.463 1.00 1.00 C ATOM 564 O VAL A 39 -5.865 -0.464 3.202 1.00 1.00 O ATOM 565 CB VAL A 39 -7.788 -2.601 1.526 1.00 1.00 C ATOM 566 CG1 VAL A 39 -6.626 -2.240 0.595 1.00 1.00 C ATOM 567 CG2 VAL A 39 -7.654 -4.070 1.932 1.00 1.00 C ATOM 0 H VAL A 39 -7.755 0.263 1.903 1.00 1.00 H new ATOM 0 HA VAL A 39 -8.589 -2.091 3.466 1.00 1.00 H new ATOM 0 HB VAL A 39 -8.726 -2.472 0.986 1.00 1.00 H new ATOM 0 HG11 VAL A 39 -6.588 -2.950 -0.231 1.00 1.00 H new ATOM 0 HG12 VAL A 39 -6.773 -1.234 0.202 1.00 1.00 H new ATOM 0 HG13 VAL A 39 -5.689 -2.279 1.151 1.00 1.00 H new ATOM 0 HG21 VAL A 39 -7.566 -4.688 1.038 1.00 1.00 H new ATOM 0 HG22 VAL A 39 -6.765 -4.197 2.550 1.00 1.00 H new ATOM 0 HG23 VAL A 39 -8.535 -4.373 2.497 1.00 1.00 H new ATOM 577 N VAL A 40 -6.230 -2.362 4.347 1.00 1.00 N ATOM 578 CA VAL A 40 -4.920 -2.517 5.020 1.00 1.00 C ATOM 579 C VAL A 40 -4.466 -3.963 4.818 1.00 1.00 C ATOM 580 O VAL A 40 -5.304 -4.862 4.791 1.00 1.00 O ATOM 581 CB VAL A 40 -4.945 -2.268 6.549 1.00 1.00 C ATOM 582 CG1 VAL A 40 -4.689 -0.805 6.889 1.00 1.00 C ATOM 583 CG2 VAL A 40 -6.220 -2.737 7.254 1.00 1.00 C ATOM 0 H VAL A 40 -6.890 -3.083 4.639 1.00 1.00 H new ATOM 0 HA VAL A 40 -4.258 -1.771 4.581 1.00 1.00 H new ATOM 0 HB VAL A 40 -4.132 -2.886 6.929 1.00 1.00 H new ATOM 0 HG11 VAL A 40 -4.715 -0.673 7.971 1.00 1.00 H new ATOM 0 HG12 VAL A 40 -3.710 -0.509 6.511 1.00 1.00 H new ATOM 0 HG13 VAL A 40 -5.458 -0.185 6.429 1.00 1.00 H new ATOM 0 HG21 VAL A 40 -6.147 -2.521 8.320 1.00 1.00 H new ATOM 0 HG22 VAL A 40 -7.080 -2.214 6.836 1.00 1.00 H new ATOM 0 HG23 VAL A 40 -6.342 -3.810 7.108 1.00 1.00 H new ATOM 593 N ILE A 41 -3.166 -4.223 4.685 1.00 1.00 N ATOM 594 CA ILE A 41 -2.646 -5.606 4.664 1.00 1.00 C ATOM 595 C ILE A 41 -2.812 -6.241 6.057 1.00 1.00 C ATOM 596 O ILE A 41 -2.831 -5.536 7.065 1.00 1.00 O ATOM 597 CB ILE A 41 -1.193 -5.598 4.137 1.00 1.00 C ATOM 598 CG1 ILE A 41 -1.149 -5.150 2.659 1.00 1.00 C ATOM 599 CG2 ILE A 41 -0.444 -6.933 4.295 1.00 1.00 C ATOM 600 CD1 ILE A 41 -1.993 -5.964 1.666 1.00 1.00 C ATOM 0 H ILE A 41 -2.449 -3.503 4.590 1.00 1.00 H new ATOM 0 HA ILE A 41 -3.216 -6.233 3.978 1.00 1.00 H new ATOM 0 HB ILE A 41 -0.670 -4.880 4.769 1.00 1.00 H new ATOM 0 HG12 ILE A 41 -1.473 -4.110 2.609 1.00 1.00 H new ATOM 0 HG13 ILE A 41 -0.111 -5.177 2.326 1.00 1.00 H new ATOM 0 HG21 ILE A 41 0.566 -6.833 3.898 1.00 1.00 H new ATOM 0 HG22 ILE A 41 -0.394 -7.200 5.351 1.00 1.00 H new ATOM 0 HG23 ILE A 41 -0.973 -7.714 3.748 1.00 1.00 H new ATOM 0 HD11 ILE A 41 -1.877 -5.550 0.665 1.00 1.00 H new ATOM 0 HD12 ILE A 41 -1.660 -7.002 1.670 1.00 1.00 H new ATOM 0 HD13 ILE A 41 -3.042 -5.919 1.958 1.00 1.00 H new ATOM 612 N GLU A 42 -2.956 -7.571 6.115 1.00 1.00 N ATOM 613 CA GLU A 42 -3.343 -8.343 7.317 1.00 1.00 C ATOM 614 C GLU A 42 -2.508 -8.127 8.600 1.00 1.00 C ATOM 615 O GLU A 42 -2.975 -8.463 9.689 1.00 1.00 O ATOM 616 CB GLU A 42 -3.426 -9.843 6.969 1.00 1.00 C ATOM 617 CG GLU A 42 -4.790 -10.254 6.395 1.00 1.00 C ATOM 618 CD GLU A 42 -5.864 -10.374 7.486 1.00 1.00 C ATOM 619 OE1 GLU A 42 -6.457 -9.331 7.849 1.00 1.00 O ATOM 620 OE2 GLU A 42 -6.088 -11.510 7.967 1.00 1.00 O ATOM 0 H GLU A 42 -2.802 -8.166 5.301 1.00 1.00 H new ATOM 0 HA GLU A 42 -4.318 -7.937 7.588 1.00 1.00 H new ATOM 0 HB2 GLU A 42 -2.647 -10.086 6.247 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -3.224 -10.429 7.865 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -5.107 -9.520 5.654 1.00 1.00 H new ATOM 0 HG3 GLU A 42 -4.692 -11.208 5.877 1.00 1.00 H new ATOM 627 N GLY A 43 -1.321 -7.519 8.516 1.00 1.00 N ATOM 628 CA GLY A 43 -0.527 -7.052 9.665 1.00 1.00 C ATOM 629 C GLY A 43 -1.091 -5.775 10.309 1.00 1.00 C ATOM 630 O GLY A 43 -0.325 -4.868 10.626 1.00 1.00 O ATOM 0 H GLY A 43 -0.869 -7.331 7.621 1.00 1.00 H new ATOM 0 HA2 GLY A 43 -0.485 -7.842 10.415 1.00 1.00 H new ATOM 0 HA3 GLY A 43 0.497 -6.866 9.340 1.00 1.00 H new ATOM 634 N ILE A 44 -2.417 -5.691 10.475 1.00 1.00 N ATOM 635 CA ILE A 44 -3.214 -4.508 10.868 1.00 1.00 C ATOM 636 C ILE A 44 -2.685 -3.700 12.068 1.00 1.00 C ATOM 637 O ILE A 44 -2.945 -2.500 12.161 1.00 1.00 O ATOM 638 CB ILE A 44 -4.721 -4.852 10.971 1.00 1.00 C ATOM 639 CG1 ILE A 44 -5.102 -5.852 12.087 1.00 1.00 C ATOM 640 CG2 ILE A 44 -5.219 -5.409 9.623 1.00 1.00 C ATOM 641 CD1 ILE A 44 -5.301 -5.199 13.459 1.00 1.00 C ATOM 0 H ILE A 44 -3.011 -6.507 10.328 1.00 1.00 H new ATOM 0 HA ILE A 44 -3.086 -3.804 10.046 1.00 1.00 H new ATOM 0 HB ILE A 44 -5.204 -3.911 11.234 1.00 1.00 H new ATOM 0 HG12 ILE A 44 -6.020 -6.367 11.803 1.00 1.00 H new ATOM 0 HG13 ILE A 44 -4.322 -6.610 12.165 1.00 1.00 H new ATOM 0 HG21 ILE A 44 -6.279 -5.650 9.698 1.00 1.00 H new ATOM 0 HG22 ILE A 44 -5.071 -4.661 8.844 1.00 1.00 H new ATOM 0 HG23 ILE A 44 -4.659 -6.310 9.372 1.00 1.00 H new ATOM 0 HD11 ILE A 44 -5.566 -5.963 14.190 1.00 1.00 H new ATOM 0 HD12 ILE A 44 -4.377 -4.708 13.766 1.00 1.00 H new ATOM 0 HD13 ILE A 44 -6.101 -4.461 13.398 1.00 1.00 H new ATOM 653 N GLY A 45 -1.931 -4.330 12.979 1.00 1.00 N ATOM 654 CA GLY A 45 -1.247 -3.663 14.096 1.00 1.00 C ATOM 655 C GLY A 45 -0.088 -2.729 13.695 1.00 1.00 C ATOM 656 O GLY A 45 0.345 -1.922 14.521 1.00 1.00 O ATOM 0 H GLY A 45 -1.776 -5.338 12.960 1.00 1.00 H new ATOM 0 HA2 GLY A 45 -1.981 -3.084 14.656 1.00 1.00 H new ATOM 0 HA3 GLY A 45 -0.860 -4.426 14.771 1.00 1.00 H new ATOM 660 N GLY A 46 0.408 -2.807 12.452 1.00 1.00 N ATOM 661 CA GLY A 46 1.530 -1.992 11.953 1.00 1.00 C ATOM 662 C GLY A 46 1.552 -1.687 10.444 1.00 1.00 C ATOM 663 O GLY A 46 2.387 -0.890 10.008 1.00 1.00 O ATOM 0 H GLY A 46 0.036 -3.448 11.752 1.00 1.00 H new ATOM 0 HA2 GLY A 46 1.526 -1.044 12.491 1.00 1.00 H new ATOM 0 HA3 GLY A 46 2.459 -2.500 12.210 1.00 1.00 H new ATOM 667 N THR A 47 0.663 -2.275 9.635 1.00 1.00 N ATOM 668 CA THR A 47 0.474 -1.937 8.207 1.00 1.00 C ATOM 669 C THR A 47 -0.139 -0.542 7.992 1.00 1.00 C ATOM 670 O THR A 47 -0.502 0.162 8.940 1.00 1.00 O ATOM 671 CB THR A 47 -0.346 -3.024 7.484 1.00 1.00 C ATOM 672 OG1 THR A 47 -1.545 -3.284 8.170 1.00 1.00 O ATOM 673 CG2 THR A 47 0.459 -4.321 7.362 1.00 1.00 C ATOM 0 H THR A 47 0.039 -3.015 9.955 1.00 1.00 H new ATOM 0 HA THR A 47 1.470 -1.903 7.765 1.00 1.00 H new ATOM 0 HB THR A 47 -0.579 -2.652 6.486 1.00 1.00 H new ATOM 0 HG1 THR A 47 -1.976 -4.077 7.787 1.00 1.00 H new ATOM 0 HG21 THR A 47 -0.139 -5.074 6.849 1.00 1.00 H new ATOM 0 HG22 THR A 47 1.370 -4.132 6.794 1.00 1.00 H new ATOM 0 HG23 THR A 47 0.720 -4.682 8.357 1.00 1.00 H new ATOM 681 N ILE A 48 -0.251 -0.126 6.724 1.00 1.00 N ATOM 682 CA ILE A 48 -0.627 1.231 6.293 1.00 1.00 C ATOM 683 C ILE A 48 -1.777 1.110 5.289 1.00 1.00 C ATOM 684 O ILE A 48 -1.719 0.301 4.359 1.00 1.00 O ATOM 685 CB ILE A 48 0.598 1.955 5.673 1.00 1.00 C ATOM 686 CG1 ILE A 48 1.710 2.150 6.733 1.00 1.00 C ATOM 687 CG2 ILE A 48 0.192 3.307 5.053 1.00 1.00 C ATOM 688 CD1 ILE A 48 3.017 2.747 6.192 1.00 1.00 C ATOM 0 H ILE A 48 -0.075 -0.750 5.936 1.00 1.00 H new ATOM 0 HA ILE A 48 -0.955 1.827 7.144 1.00 1.00 H new ATOM 0 HB ILE A 48 0.990 1.326 4.874 1.00 1.00 H new ATOM 0 HG12 ILE A 48 1.330 2.798 7.523 1.00 1.00 H new ATOM 0 HG13 ILE A 48 1.930 1.185 7.191 1.00 1.00 H new ATOM 0 HG21 ILE A 48 1.071 3.790 4.627 1.00 1.00 H new ATOM 0 HG22 ILE A 48 -0.547 3.141 4.269 1.00 1.00 H new ATOM 0 HG23 ILE A 48 -0.236 3.947 5.824 1.00 1.00 H new ATOM 0 HD11 ILE A 48 3.736 2.847 7.005 1.00 1.00 H new ATOM 0 HD12 ILE A 48 3.427 2.090 5.424 1.00 1.00 H new ATOM 0 HD13 ILE A 48 2.818 3.728 5.762 1.00 1.00 H new ATOM 700 N SER A 49 -2.844 1.881 5.505 1.00 1.00 N ATOM 701 CA SER A 49 -4.052 1.841 4.676 1.00 1.00 C ATOM 702 C SER A 49 -3.835 2.445 3.282 1.00 1.00 C ATOM 703 O SER A 49 -2.999 3.333 3.081 1.00 1.00 O ATOM 704 CB SER A 49 -5.211 2.564 5.381 1.00 1.00 C ATOM 705 OG SER A 49 -4.862 3.899 5.718 1.00 1.00 O ATOM 0 H SER A 49 -2.895 2.557 6.267 1.00 1.00 H new ATOM 0 HA SER A 49 -4.302 0.789 4.539 1.00 1.00 H new ATOM 0 HB2 SER A 49 -6.087 2.568 4.733 1.00 1.00 H new ATOM 0 HB3 SER A 49 -5.486 2.019 6.284 1.00 1.00 H new ATOM 0 HG SER A 49 -5.620 4.333 6.163 1.00 1.00 H new ATOM 711 N LYS A 50 -4.623 1.969 2.316 1.00 1.00 N ATOM 712 CA LYS A 50 -4.617 2.371 0.901 1.00 1.00 C ATOM 713 C LYS A 50 -6.047 2.384 0.354 1.00 1.00 C ATOM 714 O LYS A 50 -6.923 1.705 0.896 1.00 1.00 O ATOM 715 CB LYS A 50 -3.777 1.369 0.084 1.00 1.00 C ATOM 716 CG LYS A 50 -2.312 1.171 0.517 1.00 1.00 C ATOM 717 CD LYS A 50 -1.420 2.379 0.210 1.00 1.00 C ATOM 718 CE LYS A 50 -0.011 2.128 0.753 1.00 1.00 C ATOM 719 NZ LYS A 50 0.916 3.204 0.346 1.00 1.00 N ATOM 0 H LYS A 50 -5.323 1.252 2.507 1.00 1.00 H new ATOM 0 HA LYS A 50 -4.188 3.370 0.819 1.00 1.00 H new ATOM 0 HB2 LYS A 50 -4.275 0.400 0.120 1.00 1.00 H new ATOM 0 HB3 LYS A 50 -3.782 1.692 -0.957 1.00 1.00 H new ATOM 0 HG2 LYS A 50 -2.281 0.968 1.588 1.00 1.00 H new ATOM 0 HG3 LYS A 50 -1.907 0.292 0.014 1.00 1.00 H new ATOM 0 HD2 LYS A 50 -1.381 2.551 -0.866 1.00 1.00 H new ATOM 0 HD3 LYS A 50 -1.840 3.278 0.661 1.00 1.00 H new ATOM 0 HE2 LYS A 50 -0.043 2.064 1.841 1.00 1.00 H new ATOM 0 HE3 LYS A 50 0.357 1.169 0.388 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 1.788 3.143 0.910 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 1.148 3.099 -0.662 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 0.466 4.128 0.504 1.00 1.00 H new ATOM 733 N SER A 51 -6.288 3.115 -0.733 1.00 1.00 N ATOM 734 CA SER A 51 -7.555 3.043 -1.480 1.00 1.00 C ATOM 735 C SER A 51 -7.715 1.676 -2.151 1.00 1.00 C ATOM 736 O SER A 51 -6.724 1.034 -2.507 1.00 1.00 O ATOM 737 CB SER A 51 -7.617 4.146 -2.543 1.00 1.00 C ATOM 738 OG SER A 51 -7.529 5.425 -1.934 1.00 1.00 O ATOM 0 H SER A 51 -5.616 3.774 -1.125 1.00 1.00 H new ATOM 0 HA SER A 51 -8.369 3.185 -0.769 1.00 1.00 H new ATOM 0 HB2 SER A 51 -6.803 4.019 -3.256 1.00 1.00 H new ATOM 0 HB3 SER A 51 -8.548 4.067 -3.105 1.00 1.00 H new ATOM 0 HG SER A 51 -7.568 6.119 -2.624 1.00 1.00 H new ATOM 744 N ALA A 52 -8.958 1.237 -2.348 1.00 1.00 N ATOM 745 CA ALA A 52 -9.267 -0.092 -2.883 1.00 1.00 C ATOM 746 C ALA A 52 -10.458 -0.102 -3.858 1.00 1.00 C ATOM 747 O ALA A 52 -11.423 0.640 -3.665 1.00 1.00 O ATOM 748 CB ALA A 52 -9.523 -1.037 -1.702 1.00 1.00 C ATOM 0 H ALA A 52 -9.785 1.796 -2.140 1.00 1.00 H new ATOM 0 HA ALA A 52 -8.412 -0.425 -3.471 1.00 1.00 H new ATOM 0 HB1 ALA A 52 -9.755 -2.034 -2.077 1.00 1.00 H new ATOM 0 HB2 ALA A 52 -8.633 -1.084 -1.074 1.00 1.00 H new ATOM 0 HB3 ALA A 52 -10.363 -0.666 -1.114 1.00 1.00 H new ATOM 754 N VAL A 53 -10.413 -1.000 -4.851 1.00 1.00 N ATOM 755 CA VAL A 53 -11.498 -1.309 -5.809 1.00 1.00 C ATOM 756 C VAL A 53 -11.782 -2.815 -5.865 1.00 1.00 C ATOM 757 O VAL A 53 -10.877 -3.628 -5.663 1.00 1.00 O ATOM 758 CB VAL A 53 -11.192 -0.794 -7.234 1.00 1.00 C ATOM 759 CG1 VAL A 53 -11.094 0.731 -7.251 1.00 1.00 C ATOM 760 CG2 VAL A 53 -9.920 -1.375 -7.875 1.00 1.00 C ATOM 0 H VAL A 53 -9.579 -1.562 -5.022 1.00 1.00 H new ATOM 0 HA VAL A 53 -12.381 -0.788 -5.441 1.00 1.00 H new ATOM 0 HB VAL A 53 -12.033 -1.142 -7.834 1.00 1.00 H new ATOM 0 HG11 VAL A 53 -10.878 1.070 -8.264 1.00 1.00 H new ATOM 0 HG12 VAL A 53 -12.039 1.160 -6.918 1.00 1.00 H new ATOM 0 HG13 VAL A 53 -10.295 1.052 -6.583 1.00 1.00 H new ATOM 0 HG21 VAL A 53 -9.790 -0.954 -8.872 1.00 1.00 H new ATOM 0 HG22 VAL A 53 -9.056 -1.124 -7.260 1.00 1.00 H new ATOM 0 HG23 VAL A 53 -10.012 -2.459 -7.948 1.00 1.00 H new ATOM 770 N SER A 54 -13.029 -3.208 -6.155 1.00 1.00 N ATOM 771 CA SER A 54 -13.385 -4.622 -6.356 1.00 1.00 C ATOM 772 C SER A 54 -12.962 -5.091 -7.750 1.00 1.00 C ATOM 773 O SER A 54 -13.423 -4.560 -8.762 1.00 1.00 O ATOM 774 CB SER A 54 -14.884 -4.873 -6.169 1.00 1.00 C ATOM 775 OG SER A 54 -15.119 -6.272 -6.281 1.00 1.00 O ATOM 0 H SER A 54 -13.813 -2.564 -6.256 1.00 1.00 H new ATOM 0 HA SER A 54 -12.849 -5.192 -5.597 1.00 1.00 H new ATOM 0 HB2 SER A 54 -15.211 -4.510 -5.195 1.00 1.00 H new ATOM 0 HB3 SER A 54 -15.457 -4.330 -6.921 1.00 1.00 H new ATOM 0 HG SER A 54 -15.201 -6.663 -5.386 1.00 1.00 H new ATOM 781 N PHE A 55 -12.104 -6.112 -7.807 1.00 1.00 N ATOM 782 CA PHE A 55 -11.724 -6.780 -9.059 1.00 1.00 C ATOM 783 C PHE A 55 -12.763 -7.820 -9.534 1.00 1.00 C ATOM 784 O PHE A 55 -12.676 -8.330 -10.652 1.00 1.00 O ATOM 785 CB PHE A 55 -10.350 -7.430 -8.866 1.00 1.00 C ATOM 786 CG PHE A 55 -9.627 -7.744 -10.167 1.00 1.00 C ATOM 787 CD1 PHE A 55 -8.989 -6.712 -10.880 1.00 1.00 C ATOM 788 CD2 PHE A 55 -9.580 -9.064 -10.660 1.00 1.00 C ATOM 789 CE1 PHE A 55 -8.306 -6.996 -12.077 1.00 1.00 C ATOM 790 CE2 PHE A 55 -8.896 -9.347 -11.855 1.00 1.00 C ATOM 791 CZ PHE A 55 -8.258 -8.313 -12.564 1.00 1.00 C ATOM 0 H PHE A 55 -11.649 -6.503 -6.982 1.00 1.00 H new ATOM 0 HA PHE A 55 -11.684 -6.026 -9.845 1.00 1.00 H new ATOM 0 HB2 PHE A 55 -9.726 -6.767 -8.266 1.00 1.00 H new ATOM 0 HB3 PHE A 55 -10.472 -8.352 -8.298 1.00 1.00 H new ATOM 0 HD1 PHE A 55 -9.024 -5.699 -10.507 1.00 1.00 H new ATOM 0 HD2 PHE A 55 -10.070 -9.859 -10.118 1.00 1.00 H new ATOM 0 HE1 PHE A 55 -7.818 -6.201 -12.622 1.00 1.00 H new ATOM 0 HE2 PHE A 55 -8.860 -10.359 -12.229 1.00 1.00 H new ATOM 0 HZ PHE A 55 -7.732 -8.531 -13.482 1.00 1.00 H new ATOM 801 N ASP A 56 -13.759 -8.132 -8.697 1.00 1.00 N ATOM 802 CA ASP A 56 -14.721 -9.229 -8.890 1.00 1.00 C ATOM 803 C ASP A 56 -16.187 -8.739 -8.862 1.00 1.00 C ATOM 804 O ASP A 56 -17.119 -9.533 -8.716 1.00 1.00 O ATOM 805 CB ASP A 56 -14.413 -10.311 -7.839 1.00 1.00 C ATOM 806 CG ASP A 56 -15.175 -11.623 -8.072 1.00 1.00 C ATOM 807 OD1 ASP A 56 -15.038 -12.190 -9.183 1.00 1.00 O ATOM 808 OD2 ASP A 56 -15.873 -12.076 -7.135 1.00 1.00 O ATOM 0 H ASP A 56 -13.925 -7.611 -7.836 1.00 1.00 H new ATOM 0 HA ASP A 56 -14.608 -9.659 -9.885 1.00 1.00 H new ATOM 0 HB2 ASP A 56 -13.342 -10.516 -7.843 1.00 1.00 H new ATOM 0 HB3 ASP A 56 -14.661 -9.927 -6.850 1.00 1.00 H new ATOM 813 N ASN A 57 -16.390 -7.421 -8.996 1.00 1.00 N ATOM 814 CA ASN A 57 -17.675 -6.714 -8.908 1.00 1.00 C ATOM 815 C ASN A 57 -18.534 -7.128 -7.693 1.00 1.00 C ATOM 816 O ASN A 57 -19.739 -7.364 -7.807 1.00 1.00 O ATOM 817 CB ASN A 57 -18.419 -6.795 -10.257 1.00 1.00 C ATOM 818 CG ASN A 57 -17.668 -6.141 -11.403 1.00 1.00 C ATOM 819 OD1 ASN A 57 -17.100 -6.796 -12.267 1.00 1.00 O ATOM 820 ND2 ASN A 57 -17.649 -4.829 -11.456 1.00 1.00 N ATOM 0 H ASN A 57 -15.616 -6.782 -9.179 1.00 1.00 H new ATOM 0 HA ASN A 57 -17.460 -5.663 -8.714 1.00 1.00 H new ATOM 0 HB2 ASN A 57 -18.599 -7.842 -10.501 1.00 1.00 H new ATOM 0 HB3 ASN A 57 -19.394 -6.320 -10.154 1.00 1.00 H new ATOM 0 HD21 ASN A 57 -17.161 -4.356 -12.217 1.00 1.00 H new ATOM 0 HD22 ASN A 57 -18.122 -4.283 -10.736 1.00 1.00 H new ATOM 827 N GLN A 58 -17.904 -7.220 -6.520 1.00 1.00 N ATOM 828 CA GLN A 58 -18.551 -7.521 -5.239 1.00 1.00 C ATOM 829 C GLN A 58 -18.717 -6.250 -4.396 1.00 1.00 C ATOM 830 O GLN A 58 -17.939 -5.305 -4.523 1.00 1.00 O ATOM 831 CB GLN A 58 -17.706 -8.541 -4.455 1.00 1.00 C ATOM 832 CG GLN A 58 -17.481 -9.873 -5.188 1.00 1.00 C ATOM 833 CD GLN A 58 -18.782 -10.554 -5.614 1.00 1.00 C ATOM 834 OE1 GLN A 58 -19.608 -10.942 -4.798 1.00 1.00 O ATOM 835 NE2 GLN A 58 -19.026 -10.711 -6.897 1.00 1.00 N ATOM 0 H GLN A 58 -16.897 -7.083 -6.432 1.00 1.00 H new ATOM 0 HA GLN A 58 -19.537 -7.936 -5.446 1.00 1.00 H new ATOM 0 HB2 GLN A 58 -16.737 -8.096 -4.230 1.00 1.00 H new ATOM 0 HB3 GLN A 58 -18.194 -8.743 -3.501 1.00 1.00 H new ATOM 0 HG2 GLN A 58 -16.866 -9.695 -6.070 1.00 1.00 H new ATOM 0 HG3 GLN A 58 -16.921 -10.547 -4.540 1.00 1.00 H new ATOM 0 HE21 GLN A 58 -18.347 -10.392 -7.588 1.00 1.00 H new ATOM 0 HE22 GLN A 58 -19.894 -11.151 -7.201 1.00 1.00 H new ATOM 844 N GLN A 59 -19.711 -6.238 -3.503 1.00 1.00 N ATOM 845 CA GLN A 59 -19.876 -5.184 -2.499 1.00 1.00 C ATOM 846 C GLN A 59 -19.123 -5.590 -1.223 1.00 1.00 C ATOM 847 O GLN A 59 -19.656 -6.284 -0.354 1.00 1.00 O ATOM 848 CB GLN A 59 -21.366 -4.891 -2.249 1.00 1.00 C ATOM 849 CG GLN A 59 -21.546 -3.522 -1.566 1.00 1.00 C ATOM 850 CD GLN A 59 -22.860 -3.441 -0.792 1.00 1.00 C ATOM 851 OE1 GLN A 59 -23.919 -3.152 -1.337 1.00 1.00 O ATOM 852 NE2 GLN A 59 -22.853 -3.693 0.503 1.00 1.00 N ATOM 0 H GLN A 59 -20.427 -6.963 -3.456 1.00 1.00 H new ATOM 0 HA GLN A 59 -19.446 -4.250 -2.861 1.00 1.00 H new ATOM 0 HB2 GLN A 59 -21.908 -4.905 -3.195 1.00 1.00 H new ATOM 0 HB3 GLN A 59 -21.796 -5.674 -1.624 1.00 1.00 H new ATOM 0 HG2 GLN A 59 -20.713 -3.343 -0.887 1.00 1.00 H new ATOM 0 HG3 GLN A 59 -21.519 -2.734 -2.319 1.00 1.00 H new ATOM 0 HE21 GLN A 59 -21.979 -3.935 0.971 1.00 1.00 H new ATOM 0 HE22 GLN A 59 -23.721 -3.646 1.036 1.00 1.00 H new ATOM 861 N ILE A 60 -17.848 -5.213 -1.142 1.00 1.00 N ATOM 862 CA ILE A 60 -16.936 -5.594 -0.063 1.00 1.00 C ATOM 863 C ILE A 60 -17.148 -4.647 1.120 1.00 1.00 C ATOM 864 O ILE A 60 -16.468 -3.631 1.260 1.00 1.00 O ATOM 865 CB ILE A 60 -15.462 -5.674 -0.531 1.00 1.00 C ATOM 866 CG1 ILE A 60 -15.299 -6.189 -1.983 1.00 1.00 C ATOM 867 CG2 ILE A 60 -14.739 -6.589 0.464 1.00 1.00 C ATOM 868 CD1 ILE A 60 -13.846 -6.279 -2.465 1.00 1.00 C ATOM 0 H ILE A 60 -17.408 -4.618 -1.844 1.00 1.00 H new ATOM 0 HA ILE A 60 -17.169 -6.608 0.263 1.00 1.00 H new ATOM 0 HB ILE A 60 -15.034 -4.672 -0.547 1.00 1.00 H new ATOM 0 HG12 ILE A 60 -15.756 -7.176 -2.059 1.00 1.00 H new ATOM 0 HG13 ILE A 60 -15.851 -5.530 -2.653 1.00 1.00 H new ATOM 0 HG21 ILE A 60 -13.691 -6.680 0.179 1.00 1.00 H new ATOM 0 HG22 ILE A 60 -14.807 -6.164 1.465 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -15.204 -7.575 0.456 1.00 1.00 H new ATOM 0 HD11 ILE A 60 -13.825 -6.648 -3.490 1.00 1.00 H new ATOM 0 HD12 ILE A 60 -13.388 -5.291 -2.426 1.00 1.00 H new ATOM 0 HD13 ILE A 60 -13.291 -6.962 -1.822 1.00 1.00 H new ATOM 880 N SER A 61 -18.167 -4.937 1.928 1.00 1.00 N ATOM 881 CA SER A 61 -18.479 -4.212 3.165 1.00 1.00 C ATOM 882 C SER A 61 -17.336 -4.279 4.196 1.00 1.00 C ATOM 883 O SER A 61 -16.427 -5.111 4.101 1.00 1.00 O ATOM 884 CB SER A 61 -19.780 -4.762 3.764 1.00 1.00 C ATOM 885 OG SER A 61 -20.850 -4.620 2.837 1.00 1.00 O ATOM 0 H SER A 61 -18.816 -5.701 1.738 1.00 1.00 H new ATOM 0 HA SER A 61 -18.604 -3.160 2.911 1.00 1.00 H new ATOM 0 HB2 SER A 61 -19.653 -5.813 4.024 1.00 1.00 H new ATOM 0 HB3 SER A 61 -20.016 -4.231 4.686 1.00 1.00 H new ATOM 0 HG SER A 61 -21.674 -4.976 3.231 1.00 1.00 H new ATOM 891 N TYR A 62 -17.390 -3.398 5.199 1.00 1.00 N ATOM 892 CA TYR A 62 -16.410 -3.294 6.288 1.00 1.00 C ATOM 893 C TYR A 62 -16.114 -4.635 6.991 1.00 1.00 C ATOM 894 O TYR A 62 -17.028 -5.418 7.268 1.00 1.00 O ATOM 895 CB TYR A 62 -16.948 -2.276 7.310 1.00 1.00 C ATOM 896 CG TYR A 62 -16.038 -2.032 8.501 1.00 1.00 C ATOM 897 CD1 TYR A 62 -16.127 -2.841 9.652 1.00 1.00 C ATOM 898 CD2 TYR A 62 -15.093 -0.992 8.451 1.00 1.00 C ATOM 899 CE1 TYR A 62 -15.256 -2.627 10.738 1.00 1.00 C ATOM 900 CE2 TYR A 62 -14.221 -0.770 9.534 1.00 1.00 C ATOM 901 CZ TYR A 62 -14.296 -1.591 10.679 1.00 1.00 C ATOM 902 OH TYR A 62 -13.449 -1.373 11.723 1.00 1.00 O ATOM 0 H TYR A 62 -18.142 -2.714 5.279 1.00 1.00 H new ATOM 0 HA TYR A 62 -15.463 -2.974 5.854 1.00 1.00 H new ATOM 0 HB2 TYR A 62 -17.121 -1.327 6.801 1.00 1.00 H new ATOM 0 HB3 TYR A 62 -17.915 -2.623 7.674 1.00 1.00 H new ATOM 0 HD1 TYR A 62 -16.866 -3.628 9.701 1.00 1.00 H new ATOM 0 HD2 TYR A 62 -15.036 -0.360 7.577 1.00 1.00 H new ATOM 0 HE1 TYR A 62 -15.322 -3.254 11.615 1.00 1.00 H new ATOM 0 HE2 TYR A 62 -13.495 0.028 9.488 1.00 1.00 H new ATOM 0 HH TYR A 62 -12.855 -0.623 11.511 1.00 1.00 H new ATOM 912 N GLY A 63 -14.844 -4.874 7.333 1.00 1.00 N ATOM 913 CA GLY A 63 -14.438 -5.984 8.201 1.00 1.00 C ATOM 914 C GLY A 63 -14.417 -7.377 7.558 1.00 1.00 C ATOM 915 O GLY A 63 -14.809 -8.344 8.214 1.00 1.00 O ATOM 0 H GLY A 63 -14.064 -4.299 7.014 1.00 1.00 H new ATOM 0 HA2 GLY A 63 -13.441 -5.770 8.586 1.00 1.00 H new ATOM 0 HA3 GLY A 63 -15.112 -6.013 9.058 1.00 1.00 H new ATOM 919 N THR A 64 -13.951 -7.507 6.308 1.00 1.00 N ATOM 920 CA THR A 64 -13.731 -8.819 5.659 1.00 1.00 C ATOM 921 C THR A 64 -12.333 -8.946 5.058 1.00 1.00 C ATOM 922 O THR A 64 -11.688 -7.943 4.738 1.00 1.00 O ATOM 923 CB THR A 64 -14.815 -9.125 4.614 1.00 1.00 C ATOM 924 OG1 THR A 64 -14.867 -10.521 4.409 1.00 1.00 O ATOM 925 CG2 THR A 64 -14.580 -8.468 3.258 1.00 1.00 C ATOM 0 H THR A 64 -13.715 -6.712 5.715 1.00 1.00 H new ATOM 0 HA THR A 64 -13.807 -9.568 6.447 1.00 1.00 H new ATOM 0 HB THR A 64 -15.744 -8.720 5.014 1.00 1.00 H new ATOM 0 HG1 THR A 64 -15.557 -10.729 3.745 1.00 1.00 H new ATOM 0 HG21 THR A 64 -15.390 -8.735 2.579 1.00 1.00 H new ATOM 0 HG22 THR A 64 -14.550 -7.385 3.379 1.00 1.00 H new ATOM 0 HG23 THR A 64 -13.632 -8.814 2.845 1.00 1.00 H new ATOM 933 N THR A 65 -11.859 -10.186 4.922 1.00 1.00 N ATOM 934 CA THR A 65 -10.504 -10.509 4.449 1.00 1.00 C ATOM 935 C THR A 65 -10.506 -10.689 2.933 1.00 1.00 C ATOM 936 O THR A 65 -11.307 -11.440 2.371 1.00 1.00 O ATOM 937 CB THR A 65 -9.933 -11.752 5.150 1.00 1.00 C ATOM 938 OG1 THR A 65 -9.998 -11.567 6.549 1.00 1.00 O ATOM 939 CG2 THR A 65 -8.467 -12.007 4.796 1.00 1.00 C ATOM 0 H THR A 65 -12.414 -11.013 5.141 1.00 1.00 H new ATOM 0 HA THR A 65 -9.853 -9.673 4.704 1.00 1.00 H new ATOM 0 HB THR A 65 -10.528 -12.602 4.817 1.00 1.00 H new ATOM 0 HG1 THR A 65 -9.636 -12.358 7.001 1.00 1.00 H new ATOM 0 HG21 THR A 65 -8.116 -12.897 5.319 1.00 1.00 H new ATOM 0 HG22 THR A 65 -8.373 -12.158 3.721 1.00 1.00 H new ATOM 0 HG23 THR A 65 -7.866 -11.149 5.096 1.00 1.00 H new ATOM 947 N VAL A 66 -9.573 -10.012 2.269 1.00 1.00 N ATOM 948 CA VAL A 66 -9.508 -9.849 0.811 1.00 1.00 C ATOM 949 C VAL A 66 -8.110 -10.169 0.281 1.00 1.00 C ATOM 950 O VAL A 66 -7.119 -9.898 0.946 1.00 1.00 O ATOM 951 CB VAL A 66 -9.910 -8.414 0.413 1.00 1.00 C ATOM 952 CG1 VAL A 66 -11.371 -8.098 0.744 1.00 1.00 C ATOM 953 CG2 VAL A 66 -9.065 -7.314 1.079 1.00 1.00 C ATOM 0 H VAL A 66 -8.807 -9.540 2.749 1.00 1.00 H new ATOM 0 HA VAL A 66 -10.210 -10.552 0.364 1.00 1.00 H new ATOM 0 HB VAL A 66 -9.739 -8.403 -0.663 1.00 1.00 H new ATOM 0 HG11 VAL A 66 -11.599 -7.076 0.443 1.00 1.00 H new ATOM 0 HG12 VAL A 66 -12.023 -8.788 0.209 1.00 1.00 H new ATOM 0 HG13 VAL A 66 -11.532 -8.205 1.817 1.00 1.00 H new ATOM 0 HG21 VAL A 66 -9.413 -6.336 0.746 1.00 1.00 H new ATOM 0 HG22 VAL A 66 -9.164 -7.385 2.162 1.00 1.00 H new ATOM 0 HG23 VAL A 66 -8.019 -7.441 0.802 1.00 1.00 H new ATOM 963 N LEU A 67 -8.009 -10.743 -0.914 1.00 1.00 N ATOM 964 CA LEU A 67 -6.737 -10.978 -1.612 1.00 1.00 C ATOM 965 C LEU A 67 -6.479 -9.808 -2.574 1.00 1.00 C ATOM 966 O LEU A 67 -7.345 -9.476 -3.389 1.00 1.00 O ATOM 967 CB LEU A 67 -6.848 -12.361 -2.291 1.00 1.00 C ATOM 968 CG LEU A 67 -5.657 -12.912 -3.103 1.00 1.00 C ATOM 969 CD1 LEU A 67 -5.439 -12.213 -4.443 1.00 1.00 C ATOM 970 CD2 LEU A 67 -4.345 -12.887 -2.319 1.00 1.00 C ATOM 0 H LEU A 67 -8.821 -11.066 -1.439 1.00 1.00 H new ATOM 0 HA LEU A 67 -5.873 -11.007 -0.948 1.00 1.00 H new ATOM 0 HB2 LEU A 67 -7.076 -13.089 -1.512 1.00 1.00 H new ATOM 0 HB3 LEU A 67 -7.709 -12.328 -2.958 1.00 1.00 H new ATOM 0 HG LEU A 67 -5.942 -13.945 -3.304 1.00 1.00 H new ATOM 0 HD11 LEU A 67 -4.584 -12.659 -4.951 1.00 1.00 H new ATOM 0 HD12 LEU A 67 -6.329 -12.327 -5.062 1.00 1.00 H new ATOM 0 HD13 LEU A 67 -5.248 -11.153 -4.274 1.00 1.00 H new ATOM 0 HD21 LEU A 67 -3.543 -13.286 -2.940 1.00 1.00 H new ATOM 0 HD22 LEU A 67 -4.109 -11.861 -2.037 1.00 1.00 H new ATOM 0 HD23 LEU A 67 -4.446 -13.496 -1.421 1.00 1.00 H new ATOM 982 N VAL A 68 -5.315 -9.156 -2.460 1.00 1.00 N ATOM 983 CA VAL A 68 -4.943 -7.977 -3.268 1.00 1.00 C ATOM 984 C VAL A 68 -4.438 -8.410 -4.654 1.00 1.00 C ATOM 985 O VAL A 68 -3.239 -8.494 -4.908 1.00 1.00 O ATOM 986 CB VAL A 68 -3.924 -7.076 -2.534 1.00 1.00 C ATOM 987 CG1 VAL A 68 -3.723 -5.763 -3.294 1.00 1.00 C ATOM 988 CG2 VAL A 68 -4.404 -6.723 -1.116 1.00 1.00 C ATOM 0 H VAL A 68 -4.592 -9.433 -1.796 1.00 1.00 H new ATOM 0 HA VAL A 68 -5.838 -7.372 -3.414 1.00 1.00 H new ATOM 0 HB VAL A 68 -2.991 -7.637 -2.479 1.00 1.00 H new ATOM 0 HG11 VAL A 68 -3.002 -5.142 -2.762 1.00 1.00 H new ATOM 0 HG12 VAL A 68 -3.349 -5.976 -4.296 1.00 1.00 H new ATOM 0 HG13 VAL A 68 -4.674 -5.235 -3.366 1.00 1.00 H new ATOM 0 HG21 VAL A 68 -3.664 -6.089 -0.629 1.00 1.00 H new ATOM 0 HG22 VAL A 68 -5.354 -6.192 -1.175 1.00 1.00 H new ATOM 0 HG23 VAL A 68 -4.535 -7.638 -0.538 1.00 1.00 H new ATOM 998 N VAL A 69 -5.370 -8.779 -5.533 1.00 1.00 N ATOM 999 CA VAL A 69 -5.098 -9.416 -6.834 1.00 1.00 C ATOM 1000 C VAL A 69 -4.290 -8.550 -7.810 1.00 1.00 C ATOM 1001 O VAL A 69 -3.493 -9.080 -8.585 1.00 1.00 O ATOM 1002 CB VAL A 69 -6.421 -9.902 -7.452 1.00 1.00 C ATOM 1003 CG1 VAL A 69 -7.354 -8.780 -7.903 1.00 1.00 C ATOM 1004 CG2 VAL A 69 -6.206 -10.877 -8.613 1.00 1.00 C ATOM 0 H VAL A 69 -6.366 -8.642 -5.360 1.00 1.00 H new ATOM 0 HA VAL A 69 -4.449 -10.270 -6.640 1.00 1.00 H new ATOM 0 HB VAL A 69 -6.912 -10.423 -6.630 1.00 1.00 H new ATOM 0 HG11 VAL A 69 -8.262 -9.210 -8.326 1.00 1.00 H new ATOM 0 HG12 VAL A 69 -7.612 -8.156 -7.048 1.00 1.00 H new ATOM 0 HG13 VAL A 69 -6.854 -8.173 -8.658 1.00 1.00 H new ATOM 0 HG21 VAL A 69 -7.172 -11.187 -9.011 1.00 1.00 H new ATOM 0 HG22 VAL A 69 -5.631 -10.387 -9.398 1.00 1.00 H new ATOM 0 HG23 VAL A 69 -5.662 -11.752 -8.257 1.00 1.00 H new ATOM 1014 N ASP A 70 -4.437 -7.222 -7.758 1.00 1.00 N ATOM 1015 CA ASP A 70 -3.660 -6.257 -8.548 1.00 1.00 C ATOM 1016 C ASP A 70 -3.455 -4.945 -7.772 1.00 1.00 C ATOM 1017 O ASP A 70 -4.126 -4.701 -6.771 1.00 1.00 O ATOM 1018 CB ASP A 70 -4.334 -6.005 -9.913 1.00 1.00 C ATOM 1019 CG ASP A 70 -4.087 -7.156 -10.893 1.00 1.00 C ATOM 1020 OD1 ASP A 70 -2.909 -7.333 -11.288 1.00 1.00 O ATOM 1021 OD2 ASP A 70 -5.067 -7.843 -11.264 1.00 1.00 O ATOM 0 H ASP A 70 -5.120 -6.774 -7.147 1.00 1.00 H new ATOM 0 HA ASP A 70 -2.674 -6.683 -8.735 1.00 1.00 H new ATOM 0 HB2 ASP A 70 -5.407 -5.874 -9.770 1.00 1.00 H new ATOM 0 HB3 ASP A 70 -3.954 -5.077 -10.340 1.00 1.00 H new ATOM 1026 N ILE A 71 -2.513 -4.102 -8.203 1.00 1.00 N ATOM 1027 CA ILE A 71 -2.110 -2.864 -7.511 1.00 1.00 C ATOM 1028 C ILE A 71 -1.764 -1.779 -8.540 1.00 1.00 C ATOM 1029 O ILE A 71 -1.097 -2.050 -9.542 1.00 1.00 O ATOM 1030 CB ILE A 71 -0.919 -3.152 -6.554 1.00 1.00 C ATOM 1031 CG1 ILE A 71 -1.350 -4.171 -5.473 1.00 1.00 C ATOM 1032 CG2 ILE A 71 -0.387 -1.872 -5.890 1.00 1.00 C ATOM 1033 CD1 ILE A 71 -0.388 -4.395 -4.308 1.00 1.00 C ATOM 0 H ILE A 71 -1.993 -4.261 -9.066 1.00 1.00 H new ATOM 0 HA ILE A 71 -2.939 -2.497 -6.906 1.00 1.00 H new ATOM 0 HB ILE A 71 -0.109 -3.569 -7.152 1.00 1.00 H new ATOM 0 HG12 ILE A 71 -2.307 -3.847 -5.064 1.00 1.00 H new ATOM 0 HG13 ILE A 71 -1.520 -5.131 -5.961 1.00 1.00 H new ATOM 0 HG21 ILE A 71 0.444 -2.123 -5.231 1.00 1.00 H new ATOM 0 HG22 ILE A 71 -0.044 -1.179 -6.658 1.00 1.00 H new ATOM 0 HG23 ILE A 71 -1.183 -1.405 -5.309 1.00 1.00 H new ATOM 0 HD11 ILE A 71 -0.810 -5.131 -3.624 1.00 1.00 H new ATOM 0 HD12 ILE A 71 0.566 -4.759 -4.689 1.00 1.00 H new ATOM 0 HD13 ILE A 71 -0.233 -3.455 -3.778 1.00 1.00 H new ATOM 1045 N ASN A 72 -2.204 -0.544 -8.282 1.00 1.00 N ATOM 1046 CA ASN A 72 -2.012 0.617 -9.153 1.00 1.00 C ATOM 1047 C ASN A 72 -1.770 1.903 -8.330 1.00 1.00 C ATOM 1048 O ASN A 72 -2.708 2.622 -7.988 1.00 1.00 O ATOM 1049 CB ASN A 72 -3.230 0.714 -10.094 1.00 1.00 C ATOM 1050 CG ASN A 72 -3.071 1.808 -11.138 1.00 1.00 C ATOM 1051 OD1 ASN A 72 -3.694 2.860 -11.085 1.00 1.00 O ATOM 1052 ND2 ASN A 72 -2.225 1.601 -12.122 1.00 1.00 N ATOM 0 H ASN A 72 -2.721 -0.318 -7.432 1.00 1.00 H new ATOM 0 HA ASN A 72 -1.115 0.498 -9.760 1.00 1.00 H new ATOM 0 HB2 ASN A 72 -3.376 -0.243 -10.594 1.00 1.00 H new ATOM 0 HB3 ASN A 72 -4.127 0.906 -9.505 1.00 1.00 H new ATOM 0 HD21 ASN A 72 -2.090 2.316 -12.837 1.00 1.00 H new ATOM 0 HD22 ASN A 72 -1.703 0.726 -12.171 1.00 1.00 H new ATOM 1059 N ASN A 73 -0.500 2.182 -8.004 1.00 1.00 N ATOM 1060 CA ASN A 73 -0.005 3.430 -7.390 1.00 1.00 C ATOM 1061 C ASN A 73 -0.890 4.014 -6.257 1.00 1.00 C ATOM 1062 O ASN A 73 -1.339 5.163 -6.318 1.00 1.00 O ATOM 1063 CB ASN A 73 0.293 4.431 -8.527 1.00 1.00 C ATOM 1064 CG ASN A 73 1.070 5.657 -8.064 1.00 1.00 C ATOM 1065 OD1 ASN A 73 1.852 5.621 -7.122 1.00 1.00 O ATOM 1066 ND2 ASN A 73 0.895 6.784 -8.719 1.00 1.00 N ATOM 0 H ASN A 73 0.251 1.511 -8.168 1.00 1.00 H new ATOM 0 HA ASN A 73 0.912 3.199 -6.847 1.00 1.00 H new ATOM 0 HB2 ASN A 73 0.860 3.924 -9.308 1.00 1.00 H new ATOM 0 HB3 ASN A 73 -0.648 4.753 -8.974 1.00 1.00 H new ATOM 0 HD21 ASN A 73 1.409 7.620 -8.441 1.00 1.00 H new ATOM 0 HD22 ASN A 73 0.245 6.822 -9.505 1.00 1.00 H new ATOM 1073 N GLY A 74 -1.193 3.198 -5.242 1.00 1.00 N ATOM 1074 CA GLY A 74 -2.013 3.575 -4.079 1.00 1.00 C ATOM 1075 C GLY A 74 -3.486 3.147 -4.163 1.00 1.00 C ATOM 1076 O GLY A 74 -4.203 3.244 -3.167 1.00 1.00 O ATOM 0 H GLY A 74 -0.868 2.232 -5.203 1.00 1.00 H new ATOM 0 HA2 GLY A 74 -1.572 3.136 -3.184 1.00 1.00 H new ATOM 0 HA3 GLY A 74 -1.970 4.657 -3.958 1.00 1.00 H new ATOM 1080 N VAL A 75 -3.926 2.638 -5.319 1.00 1.00 N ATOM 1081 CA VAL A 75 -5.259 2.060 -5.560 1.00 1.00 C ATOM 1082 C VAL A 75 -5.096 0.558 -5.780 1.00 1.00 C ATOM 1083 O VAL A 75 -4.691 0.094 -6.848 1.00 1.00 O ATOM 1084 CB VAL A 75 -5.988 2.732 -6.743 1.00 1.00 C ATOM 1085 CG1 VAL A 75 -7.440 2.240 -6.819 1.00 1.00 C ATOM 1086 CG2 VAL A 75 -6.015 4.262 -6.608 1.00 1.00 C ATOM 0 H VAL A 75 -3.338 2.615 -6.152 1.00 1.00 H new ATOM 0 HA VAL A 75 -5.888 2.242 -4.689 1.00 1.00 H new ATOM 0 HB VAL A 75 -5.438 2.463 -7.645 1.00 1.00 H new ATOM 0 HG11 VAL A 75 -7.944 2.721 -7.657 1.00 1.00 H new ATOM 0 HG12 VAL A 75 -7.451 1.159 -6.961 1.00 1.00 H new ATOM 0 HG13 VAL A 75 -7.958 2.490 -5.893 1.00 1.00 H new ATOM 0 HG21 VAL A 75 -6.537 4.693 -7.462 1.00 1.00 H new ATOM 0 HG22 VAL A 75 -6.533 4.537 -5.689 1.00 1.00 H new ATOM 0 HG23 VAL A 75 -4.994 4.643 -6.577 1.00 1.00 H new ATOM 1096 N LEU A 76 -5.339 -0.209 -4.724 1.00 1.00 N ATOM 1097 CA LEU A 76 -5.288 -1.667 -4.727 1.00 1.00 C ATOM 1098 C LEU A 76 -6.562 -2.237 -5.375 1.00 1.00 C ATOM 1099 O LEU A 76 -7.653 -1.697 -5.215 1.00 1.00 O ATOM 1100 CB LEU A 76 -5.127 -2.139 -3.266 1.00 1.00 C ATOM 1101 CG LEU A 76 -3.672 -2.114 -2.747 1.00 1.00 C ATOM 1102 CD1 LEU A 76 -2.976 -0.757 -2.853 1.00 1.00 C ATOM 1103 CD2 LEU A 76 -3.627 -2.551 -1.284 1.00 1.00 C ATOM 0 H LEU A 76 -5.585 0.178 -3.813 1.00 1.00 H new ATOM 0 HA LEU A 76 -4.443 -2.027 -5.314 1.00 1.00 H new ATOM 0 HB2 LEU A 76 -5.741 -1.508 -2.623 1.00 1.00 H new ATOM 0 HB3 LEU A 76 -5.514 -3.154 -3.180 1.00 1.00 H new ATOM 0 HG LEU A 76 -3.134 -2.803 -3.398 1.00 1.00 H new ATOM 0 HD11 LEU A 76 -1.961 -0.838 -2.465 1.00 1.00 H new ATOM 0 HD12 LEU A 76 -2.942 -0.446 -3.897 1.00 1.00 H new ATOM 0 HD13 LEU A 76 -3.529 -0.018 -2.272 1.00 1.00 H new ATOM 0 HD21 LEU A 76 -2.597 -2.529 -0.929 1.00 1.00 H new ATOM 0 HD22 LEU A 76 -4.232 -1.872 -0.683 1.00 1.00 H new ATOM 0 HD23 LEU A 76 -4.020 -3.564 -1.194 1.00 1.00 H new ATOM 1115 N SER A 77 -6.440 -3.368 -6.060 1.00 1.00 N ATOM 1116 CA SER A 77 -7.555 -4.151 -6.596 1.00 1.00 C ATOM 1117 C SER A 77 -7.673 -5.418 -5.772 1.00 1.00 C ATOM 1118 O SER A 77 -6.699 -6.163 -5.641 1.00 1.00 O ATOM 1119 CB SER A 77 -7.314 -4.565 -8.044 1.00 1.00 C ATOM 1120 OG SER A 77 -7.152 -3.442 -8.892 1.00 1.00 O ATOM 0 H SER A 77 -5.531 -3.783 -6.267 1.00 1.00 H new ATOM 0 HA SER A 77 -8.456 -3.539 -6.553 1.00 1.00 H new ATOM 0 HB2 SER A 77 -6.425 -5.193 -8.099 1.00 1.00 H new ATOM 0 HB3 SER A 77 -8.152 -5.167 -8.394 1.00 1.00 H new ATOM 0 HG SER A 77 -6.998 -3.746 -9.811 1.00 1.00 H new ATOM 1126 N VAL A 78 -8.844 -5.657 -5.189 1.00 1.00 N ATOM 1127 CA VAL A 78 -9.030 -6.721 -4.199 1.00 1.00 C ATOM 1128 C VAL A 78 -10.293 -7.540 -4.473 1.00 1.00 C ATOM 1129 O VAL A 78 -11.200 -7.106 -5.187 1.00 1.00 O ATOM 1130 CB VAL A 78 -8.975 -6.163 -2.755 1.00 1.00 C ATOM 1131 CG1 VAL A 78 -7.841 -5.155 -2.519 1.00 1.00 C ATOM 1132 CG2 VAL A 78 -10.269 -5.475 -2.316 1.00 1.00 C ATOM 0 H VAL A 78 -9.690 -5.122 -5.386 1.00 1.00 H new ATOM 0 HA VAL A 78 -8.195 -7.415 -4.296 1.00 1.00 H new ATOM 0 HB VAL A 78 -8.803 -7.062 -2.163 1.00 1.00 H new ATOM 0 HG11 VAL A 78 -7.869 -4.811 -1.485 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -6.882 -5.634 -2.716 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -7.966 -4.304 -3.188 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -10.158 -5.109 -1.295 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -10.479 -4.637 -2.981 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -11.093 -6.188 -2.359 1.00 1.00 H new ATOM 1142 N THR A 79 -10.355 -8.738 -3.899 1.00 1.00 N ATOM 1143 CA THR A 79 -11.504 -9.656 -3.982 1.00 1.00 C ATOM 1144 C THR A 79 -11.628 -10.441 -2.666 1.00 1.00 C ATOM 1145 O THR A 79 -10.594 -10.800 -2.091 1.00 1.00 O ATOM 1146 CB THR A 79 -11.357 -10.587 -5.203 1.00 1.00 C ATOM 1147 OG1 THR A 79 -12.423 -11.505 -5.238 1.00 1.00 O ATOM 1148 CG2 THR A 79 -10.056 -11.396 -5.242 1.00 1.00 C ATOM 0 H THR A 79 -9.587 -9.115 -3.344 1.00 1.00 H new ATOM 0 HA THR A 79 -12.424 -9.088 -4.122 1.00 1.00 H new ATOM 0 HB THR A 79 -11.352 -9.918 -6.063 1.00 1.00 H new ATOM 0 HG1 THR A 79 -12.324 -12.092 -6.017 1.00 1.00 H new ATOM 0 HG21 THR A 79 -10.043 -12.021 -6.135 1.00 1.00 H new ATOM 0 HG22 THR A 79 -9.205 -10.715 -5.262 1.00 1.00 H new ATOM 0 HG23 THR A 79 -9.994 -12.028 -4.356 1.00 1.00 H new ATOM 1156 N PRO A 80 -12.836 -10.668 -2.114 1.00 1.00 N ATOM 1157 CA PRO A 80 -13.010 -11.304 -0.807 1.00 1.00 C ATOM 1158 C PRO A 80 -12.683 -12.805 -0.830 1.00 1.00 C ATOM 1159 O PRO A 80 -13.530 -13.654 -1.117 1.00 1.00 O ATOM 1160 CB PRO A 80 -14.443 -10.986 -0.382 1.00 1.00 C ATOM 1161 CG PRO A 80 -15.188 -10.855 -1.710 1.00 1.00 C ATOM 1162 CD PRO A 80 -14.133 -10.251 -2.639 1.00 1.00 C ATOM 0 HA PRO A 80 -12.304 -10.914 -0.074 1.00 1.00 H new ATOM 0 HB2 PRO A 80 -14.863 -11.778 0.237 1.00 1.00 H new ATOM 0 HB3 PRO A 80 -14.494 -10.066 0.200 1.00 1.00 H new ATOM 0 HG2 PRO A 80 -15.539 -11.821 -2.073 1.00 1.00 H new ATOM 0 HG3 PRO A 80 -16.063 -10.211 -1.620 1.00 1.00 H new ATOM 0 HD2 PRO A 80 -14.269 -10.602 -3.662 1.00 1.00 H new ATOM 0 HD3 PRO A 80 -14.212 -9.164 -2.662 1.00 1.00 H new ATOM 1170 N HIS A 81 -11.427 -13.130 -0.512 1.00 1.00 N ATOM 1171 CA HIS A 81 -10.945 -14.503 -0.335 1.00 1.00 C ATOM 1172 C HIS A 81 -11.556 -15.159 0.923 1.00 1.00 C ATOM 1173 O HIS A 81 -11.800 -16.366 0.931 1.00 1.00 O ATOM 1174 CB HIS A 81 -9.407 -14.471 -0.283 1.00 1.00 C ATOM 1175 CG HIS A 81 -8.703 -15.815 -0.307 1.00 1.00 C ATOM 1176 ND1 HIS A 81 -9.221 -17.041 0.054 1.00 1.00 N ATOM 1177 CD2 HIS A 81 -7.403 -16.040 -0.682 1.00 1.00 C ATOM 1178 CE1 HIS A 81 -8.269 -17.974 -0.099 1.00 1.00 C ATOM 1179 NE2 HIS A 81 -7.135 -17.409 -0.548 1.00 1.00 N ATOM 0 H HIS A 81 -10.700 -12.430 -0.367 1.00 1.00 H new ATOM 0 HA HIS A 81 -11.263 -15.119 -1.176 1.00 1.00 H new ATOM 0 HB2 HIS A 81 -9.049 -13.883 -1.128 1.00 1.00 H new ATOM 0 HB3 HIS A 81 -9.107 -13.944 0.623 1.00 1.00 H new ATOM 0 HD1 HIS A 81 -10.171 -17.211 0.383 1.00 1.00 H new ATOM 0 HD2 HIS A 81 -6.705 -15.290 -1.023 1.00 1.00 H new ATOM 0 HE1 HIS A 81 -8.395 -19.026 0.108 1.00 1.00 H new ATOM 1187 N GLU A 82 -11.811 -14.367 1.977 1.00 1.00 N ATOM 1188 CA GLU A 82 -12.335 -14.785 3.292 1.00 1.00 C ATOM 1189 C GLU A 82 -11.832 -16.158 3.831 1.00 1.00 C ATOM 1190 O GLU A 82 -12.645 -17.008 4.214 1.00 1.00 O ATOM 1191 CB GLU A 82 -13.866 -14.590 3.337 1.00 1.00 C ATOM 1192 CG GLU A 82 -14.673 -15.377 2.292 1.00 1.00 C ATOM 1193 CD GLU A 82 -16.177 -15.145 2.478 1.00 1.00 C ATOM 1194 OE1 GLU A 82 -16.697 -14.155 1.908 1.00 1.00 O ATOM 1195 OE2 GLU A 82 -16.817 -15.956 3.191 1.00 1.00 O ATOM 0 H GLU A 82 -11.649 -13.361 1.934 1.00 1.00 H new ATOM 0 HA GLU A 82 -11.889 -14.114 4.026 1.00 1.00 H new ATOM 0 HB2 GLU A 82 -14.220 -14.872 4.329 1.00 1.00 H new ATOM 0 HB3 GLU A 82 -14.082 -13.529 3.211 1.00 1.00 H new ATOM 0 HG2 GLU A 82 -14.374 -15.071 1.289 1.00 1.00 H new ATOM 0 HG3 GLU A 82 -14.451 -16.441 2.380 1.00 1.00 H new ATOM 1202 N PRO A 83 -10.502 -16.412 3.871 1.00 1.00 N ATOM 1203 CA PRO A 83 -9.941 -17.678 4.349 1.00 1.00 C ATOM 1204 C PRO A 83 -10.141 -17.884 5.863 1.00 1.00 C ATOM 1205 O PRO A 83 -10.305 -16.928 6.627 1.00 1.00 O ATOM 1206 CB PRO A 83 -8.453 -17.621 3.982 1.00 1.00 C ATOM 1207 CG PRO A 83 -8.132 -16.129 4.048 1.00 1.00 C ATOM 1208 CD PRO A 83 -9.422 -15.487 3.542 1.00 1.00 C ATOM 0 HA PRO A 83 -10.447 -18.527 3.888 1.00 1.00 H new ATOM 0 HB2 PRO A 83 -7.844 -18.195 4.681 1.00 1.00 H new ATOM 0 HB3 PRO A 83 -8.268 -18.029 2.988 1.00 1.00 H new ATOM 0 HG2 PRO A 83 -7.892 -15.811 5.062 1.00 1.00 H new ATOM 0 HG3 PRO A 83 -7.278 -15.870 3.422 1.00 1.00 H new ATOM 0 HD2 PRO A 83 -9.584 -14.518 4.014 1.00 1.00 H new ATOM 0 HD3 PRO A 83 -9.373 -15.314 2.467 1.00 1.00 H new ATOM 1216 N ILE A 84 -10.080 -19.147 6.302 1.00 1.00 N ATOM 1217 CA ILE A 84 -10.247 -19.582 7.704 1.00 1.00 C ATOM 1218 C ILE A 84 -9.207 -20.664 8.041 1.00 1.00 C ATOM 1219 O ILE A 84 -8.979 -21.597 7.257 1.00 1.00 O ATOM 1220 CB ILE A 84 -11.689 -20.088 7.981 1.00 1.00 C ATOM 1221 CG1 ILE A 84 -12.760 -19.039 7.590 1.00 1.00 C ATOM 1222 CG2 ILE A 84 -11.833 -20.468 9.471 1.00 1.00 C ATOM 1223 CD1 ILE A 84 -14.213 -19.477 7.817 1.00 1.00 C ATOM 0 H ILE A 84 -9.906 -19.928 5.670 1.00 1.00 H new ATOM 0 HA ILE A 84 -10.084 -18.720 8.351 1.00 1.00 H new ATOM 0 HB ILE A 84 -11.856 -20.968 7.360 1.00 1.00 H new ATOM 0 HG12 ILE A 84 -12.578 -18.127 8.159 1.00 1.00 H new ATOM 0 HG13 ILE A 84 -12.633 -18.788 6.537 1.00 1.00 H new ATOM 0 HG21 ILE A 84 -12.846 -20.822 9.660 1.00 1.00 H new ATOM 0 HG22 ILE A 84 -11.121 -21.257 9.716 1.00 1.00 H new ATOM 0 HG23 ILE A 84 -11.633 -19.594 10.090 1.00 1.00 H new ATOM 0 HD11 ILE A 84 -14.886 -18.675 7.513 1.00 1.00 H new ATOM 0 HD12 ILE A 84 -14.421 -20.369 7.226 1.00 1.00 H new ATOM 0 HD13 ILE A 84 -14.366 -19.698 8.873 1.00 1.00 H new TER 1235 ILE A 84