USER MOD reduce.3.24.130724 H: found=0, std=0, add=896, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 893 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 108 THR OG1 : rot 130:sc= -0.282! USER MOD Set 1.2: A 110 ASN :FLIP amide:sc= -8.22! C(o=-19!,f=-8.5!) USER MOD Single : A 4 LYS NZ :NH3+ 155:sc= -0.142 (180deg=-0.842) USER MOD Single : A 7 MET CE :methyl 140:sc= -0.688 (180deg=-4.46!) USER MOD Single : A 11 LYS NZ :NH3+ -150:sc= 0.394 (180deg=0.00164) USER MOD Single : A 12 ASN : amide:sc= -1.51 K(o=-1.5,f=-2.7!) USER MOD Single : A 19 LYS NZ :NH3+ 147:sc= 0.448 (180deg=-1.42) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -120:sc= -2.6 (180deg=-4.48!) USER MOD Single : A 29 ASN :FLIP amide:sc= -5.13! C(o=-7!,f=-5.1!) USER MOD Single : A 31 THR OG1 : rot -79:sc= 0.203 USER MOD Single : A 37 LYS NZ :NH3+ -128:sc= -2.98 (180deg=-6.83!) USER MOD Single : A 40 HIS : no HD1:sc= -2.83 K(o=-2.8,f=-3.6!) USER MOD Single : A 41 TYR OH : rot -170:sc= -2.36 USER MOD Single : A 45 CYS SG : rot 35:sc= -0.16! USER MOD Single : A 47 GLN :FLIP amide:sc= -2.11! C(o=-3.7!,f=-2.1!) USER MOD Single : A 57 LYS NZ :NH3+ 169:sc= -2.92! (180deg=-3.04!) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.0888! C(o=-13!,f=-0.089!) USER MOD Single : A 66 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.361) USER MOD Single : A 67 HIS : no HD1:sc= -1.78! C(o=-1.8!,f=-3.5!) USER MOD Single : A 68 HIS : no HE2:sc= -4.65! C(o=-4.7!,f=-8.8!) USER MOD Single : A 70 THR OG1 : rot 122:sc= -4.27! USER MOD Single : A 74 SER OG : rot 99:sc= -0.501 USER MOD Single : A 77 TYR OH : rot 130:sc= -0.533 USER MOD Single : A 80 HIS : no HD1:sc= -6.97! C(o=-7!,f=-10!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot -160:sc= -3.63! USER MOD Single : A 85 LYS NZ :NH3+ 156:sc= -0.045 (180deg=-0.375) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -127:sc= 1.2 (180deg=-5.11!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.0101 USER MOD Single : A 97 LYS NZ :NH3+ -153:sc= -0.0617 (180deg=-0.421) USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.482! USER MOD Single : A 111 GLN : amide:sc= -0.0674 X(o=-0.067,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc= -3.83! C(o=-3.8!,f=-6.7!) USER MOD ----------------------------------------------------------------- ATOM 43 N LYS A 4 -7.277 -7.390 86.753 1.00 0.00 N ATOM 44 CA LYS A 4 -6.908 -7.125 88.172 1.00 0.00 C ATOM 45 C LYS A 4 -6.440 -8.420 88.853 1.00 0.00 C ATOM 46 O LYS A 4 -5.296 -8.546 89.233 1.00 0.00 O ATOM 47 CB LYS A 4 -8.119 -6.555 88.897 1.00 0.00 C ATOM 48 CG LYS A 4 -8.547 -5.262 88.214 1.00 0.00 C ATOM 49 CD LYS A 4 -9.791 -4.725 88.912 1.00 0.00 C ATOM 50 CE LYS A 4 -10.321 -3.520 88.142 1.00 0.00 C ATOM 51 NZ LYS A 4 -10.736 -3.950 86.773 1.00 0.00 N ATOM 0 HA LYS A 4 -6.088 -6.408 88.208 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.937 -7.275 88.885 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.876 -6.365 89.943 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.743 -4.528 88.259 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.755 -5.443 87.159 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.555 -5.501 88.966 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.553 -4.440 89.937 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.168 -3.081 88.670 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.552 -2.750 88.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.455 -3.294 86.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -9.909 -3.946 86.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.133 -4.910 86.816 1.00 0.00 H new ATOM 65 N GLU A 5 -7.316 -9.374 89.010 1.00 0.00 N ATOM 66 CA GLU A 5 -6.933 -10.654 89.664 1.00 0.00 C ATOM 67 C GLU A 5 -5.589 -11.147 89.122 1.00 0.00 C ATOM 68 O GLU A 5 -4.915 -11.953 89.739 1.00 0.00 O ATOM 69 CB GLU A 5 -8.000 -11.694 89.362 1.00 0.00 C ATOM 70 CG GLU A 5 -7.789 -12.916 90.271 1.00 0.00 C ATOM 71 CD GLU A 5 -8.938 -13.904 90.086 1.00 0.00 C ATOM 72 OE1 GLU A 5 -9.230 -14.250 88.957 1.00 0.00 O ATOM 73 OE2 GLU A 5 -9.516 -14.306 91.083 1.00 0.00 O ATOM 0 H GLU A 5 -8.289 -9.319 88.710 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.845 -10.496 90.739 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.992 -11.272 89.525 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.948 -11.992 88.315 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.841 -13.398 90.033 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -7.733 -12.600 91.313 1.00 0.00 H new ATOM 80 N PHE A 6 -5.207 -10.684 87.963 1.00 0.00 N ATOM 81 CA PHE A 6 -3.913 -11.138 87.363 1.00 0.00 C ATOM 82 C PHE A 6 -2.747 -10.430 88.089 1.00 0.00 C ATOM 83 O PHE A 6 -2.051 -11.027 88.870 1.00 0.00 O ATOM 84 CB PHE A 6 -3.899 -10.791 85.861 1.00 0.00 C ATOM 85 CG PHE A 6 -2.987 -11.739 85.077 1.00 0.00 C ATOM 86 CD1 PHE A 6 -1.881 -12.368 85.675 1.00 0.00 C ATOM 87 CD2 PHE A 6 -3.292 -11.997 83.736 1.00 0.00 C ATOM 88 CE1 PHE A 6 -1.089 -13.252 84.922 1.00 0.00 C ATOM 89 CE2 PHE A 6 -2.502 -12.879 82.996 1.00 0.00 C ATOM 90 CZ PHE A 6 -1.397 -13.510 83.585 1.00 0.00 C ATOM 0 H PHE A 6 -5.732 -10.012 87.404 1.00 0.00 H new ATOM 0 HA PHE A 6 -3.803 -12.216 87.476 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -4.912 -10.847 85.464 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.560 -9.764 85.726 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -1.641 -12.173 86.710 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -4.139 -11.513 83.273 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -0.238 -13.734 85.380 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -2.744 -13.077 81.962 1.00 0.00 H new ATOM 0 HZ PHE A 6 -0.788 -14.191 83.008 1.00 0.00 H new ATOM 100 N MET A 7 -2.530 -9.163 87.826 1.00 0.00 N ATOM 101 CA MET A 7 -1.400 -8.441 88.499 1.00 0.00 C ATOM 102 C MET A 7 -1.500 -8.656 90.002 1.00 0.00 C ATOM 103 O MET A 7 -0.511 -8.646 90.703 1.00 0.00 O ATOM 104 CB MET A 7 -1.459 -6.935 88.178 1.00 0.00 C ATOM 105 CG MET A 7 -2.546 -6.234 89.011 1.00 0.00 C ATOM 106 SD MET A 7 -3.161 -4.788 88.108 1.00 0.00 S ATOM 107 CE MET A 7 -3.932 -5.674 86.735 1.00 0.00 C ATOM 0 H MET A 7 -3.082 -8.600 87.179 1.00 0.00 H new ATOM 0 HA MET A 7 -0.451 -8.834 88.133 1.00 0.00 H new ATOM 0 HB2 MET A 7 -0.490 -6.478 88.381 1.00 0.00 H new ATOM 0 HB3 MET A 7 -1.662 -6.794 87.116 1.00 0.00 H new ATOM 0 HG2 MET A 7 -3.365 -6.924 89.215 1.00 0.00 H new ATOM 0 HG3 MET A 7 -2.140 -5.928 89.975 1.00 0.00 H new ATOM 0 HE1 MET A 7 -4.879 -5.198 86.480 1.00 0.00 H new ATOM 0 HE2 MET A 7 -3.270 -5.651 85.870 1.00 0.00 H new ATOM 0 HE3 MET A 7 -4.113 -6.709 87.026 1.00 0.00 H new ATOM 117 N TRP A 8 -2.684 -8.841 90.499 1.00 0.00 N ATOM 118 CA TRP A 8 -2.857 -9.039 91.973 1.00 0.00 C ATOM 119 C TRP A 8 -1.826 -10.043 92.493 1.00 0.00 C ATOM 120 O TRP A 8 -1.351 -9.935 93.599 1.00 0.00 O ATOM 121 CB TRP A 8 -4.283 -9.563 92.261 1.00 0.00 C ATOM 122 CG TRP A 8 -4.661 -9.272 93.684 1.00 0.00 C ATOM 123 CD1 TRP A 8 -4.932 -10.214 94.623 1.00 0.00 C ATOM 124 CD2 TRP A 8 -4.809 -7.974 94.338 1.00 0.00 C ATOM 125 NE1 TRP A 8 -5.242 -9.571 95.813 1.00 0.00 N ATOM 126 CE2 TRP A 8 -5.178 -8.194 95.690 1.00 0.00 C ATOM 127 CE3 TRP A 8 -4.662 -6.645 93.904 1.00 0.00 C ATOM 128 CZ2 TRP A 8 -5.389 -7.137 96.572 1.00 0.00 C ATOM 129 CZ3 TRP A 8 -4.877 -5.572 94.791 1.00 0.00 C ATOM 130 CH2 TRP A 8 -5.236 -5.820 96.120 1.00 0.00 C ATOM 0 H TRP A 8 -3.546 -8.865 89.954 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.710 -8.085 92.480 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -4.996 -9.092 91.584 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -4.329 -10.636 92.076 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -4.910 -11.283 94.470 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -5.488 -10.056 96.676 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -4.381 -6.445 92.880 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -5.669 -7.331 97.597 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -4.764 -4.555 94.444 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -5.395 -4.995 96.799 1.00 0.00 H new ATOM 141 N ALA A 9 -1.485 -11.020 91.708 1.00 0.00 N ATOM 142 CA ALA A 9 -0.497 -12.026 92.162 1.00 0.00 C ATOM 143 C ALA A 9 0.904 -11.475 91.960 1.00 0.00 C ATOM 144 O ALA A 9 1.670 -11.342 92.891 1.00 0.00 O ATOM 145 CB ALA A 9 -0.684 -13.305 91.362 1.00 0.00 C ATOM 0 H ALA A 9 -1.851 -11.165 90.767 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.642 -12.246 93.220 1.00 0.00 H new ATOM 0 HB1 ALA A 9 0.041 -14.050 91.692 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.693 -13.687 91.517 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.534 -13.097 90.303 1.00 0.00 H new ATOM 151 N LEU A 10 1.249 -11.119 90.754 1.00 0.00 N ATOM 152 CA LEU A 10 2.588 -10.549 90.491 1.00 0.00 C ATOM 153 C LEU A 10 2.854 -9.457 91.506 1.00 0.00 C ATOM 154 O LEU A 10 3.979 -9.089 91.780 1.00 0.00 O ATOM 155 CB LEU A 10 2.591 -9.932 89.090 1.00 0.00 C ATOM 156 CG LEU A 10 2.352 -11.028 88.010 1.00 0.00 C ATOM 157 CD1 LEU A 10 1.260 -10.619 86.999 1.00 0.00 C ATOM 158 CD2 LEU A 10 3.646 -11.264 87.238 1.00 0.00 C ATOM 0 H LEU A 10 0.649 -11.202 89.933 1.00 0.00 H new ATOM 0 HA LEU A 10 3.351 -11.324 90.561 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.815 -9.170 89.021 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.544 -9.435 88.907 1.00 0.00 H new ATOM 0 HG LEU A 10 2.026 -11.930 88.528 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.128 -11.414 86.265 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.321 -10.452 87.526 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.559 -9.702 86.491 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.483 -12.031 86.481 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.956 -10.337 86.755 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.425 -11.593 87.926 1.00 0.00 H new ATOM 170 N LYS A 11 1.805 -8.927 92.026 1.00 0.00 N ATOM 171 CA LYS A 11 1.888 -7.815 93.008 1.00 0.00 C ATOM 172 C LYS A 11 1.915 -8.331 94.453 1.00 0.00 C ATOM 173 O LYS A 11 2.864 -8.114 95.191 1.00 0.00 O ATOM 174 CB LYS A 11 0.627 -7.007 92.817 1.00 0.00 C ATOM 175 CG LYS A 11 0.494 -5.945 93.925 1.00 0.00 C ATOM 176 CD LYS A 11 -0.412 -4.796 93.463 1.00 0.00 C ATOM 177 CE LYS A 11 -1.793 -5.337 93.096 1.00 0.00 C ATOM 178 NZ LYS A 11 -2.709 -4.209 92.763 1.00 0.00 N ATOM 0 H LYS A 11 0.853 -9.223 91.809 1.00 0.00 H new ATOM 0 HA LYS A 11 2.801 -7.241 92.847 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.643 -6.523 91.841 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.240 -7.667 92.831 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.083 -6.400 94.826 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.479 -5.557 94.185 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.502 -4.052 94.254 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.032 -4.295 92.603 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.713 -6.015 92.246 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.200 -5.914 93.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.685 -4.471 93.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.431 -3.365 93.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.650 -4.003 91.745 1.00 0.00 H new ATOM 192 N ASN A 12 0.849 -8.965 94.889 1.00 0.00 N ATOM 193 CA ASN A 12 0.773 -9.435 96.304 1.00 0.00 C ATOM 194 C ASN A 12 1.552 -10.735 96.492 1.00 0.00 C ATOM 195 O ASN A 12 1.563 -11.303 97.565 1.00 0.00 O ATOM 196 CB ASN A 12 -0.695 -9.669 96.690 1.00 0.00 C ATOM 197 CG ASN A 12 -0.818 -9.735 98.218 1.00 0.00 C ATOM 198 OD1 ASN A 12 0.161 -9.895 98.917 1.00 0.00 O ATOM 199 ND2 ASN A 12 -1.990 -9.608 98.770 1.00 0.00 N ATOM 0 H ASN A 12 0.028 -9.176 94.321 1.00 0.00 H new ATOM 0 HA ASN A 12 1.212 -8.668 96.942 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -1.318 -8.864 96.299 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -1.056 -10.596 96.245 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -2.082 -9.643 99.785 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -2.816 -9.473 98.187 1.00 0.00 H new ATOM 206 N GLY A 13 2.220 -11.199 95.492 1.00 0.00 N ATOM 207 CA GLY A 13 3.001 -12.439 95.657 1.00 0.00 C ATOM 208 C GLY A 13 2.089 -13.661 95.648 1.00 0.00 C ATOM 209 O GLY A 13 2.491 -14.717 96.079 1.00 0.00 O ATOM 0 H GLY A 13 2.261 -10.774 94.565 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.734 -12.521 94.855 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.557 -12.402 96.594 1.00 0.00 H new ATOM 213 N ASP A 14 0.887 -13.552 95.143 1.00 0.00 N ATOM 214 CA ASP A 14 0.018 -14.750 95.093 1.00 0.00 C ATOM 215 C ASP A 14 0.594 -15.666 94.044 1.00 0.00 C ATOM 216 O ASP A 14 -0.048 -16.074 93.096 1.00 0.00 O ATOM 217 CB ASP A 14 -1.411 -14.376 94.738 1.00 0.00 C ATOM 218 CG ASP A 14 -1.776 -13.071 95.417 1.00 0.00 C ATOM 219 OD1 ASP A 14 -1.424 -12.901 96.575 1.00 0.00 O ATOM 220 OD2 ASP A 14 -2.416 -12.257 94.785 1.00 0.00 O ATOM 0 H ASP A 14 0.480 -12.695 94.769 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.013 -15.237 96.068 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.515 -14.277 93.657 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.094 -15.165 95.053 1.00 0.00 H new ATOM 225 N LEU A 15 1.826 -15.964 94.235 1.00 0.00 N ATOM 226 CA LEU A 15 2.578 -16.826 93.319 1.00 0.00 C ATOM 227 C LEU A 15 1.750 -18.061 92.956 1.00 0.00 C ATOM 228 O LEU A 15 1.907 -18.655 91.909 1.00 0.00 O ATOM 229 CB LEU A 15 3.874 -17.189 94.044 1.00 0.00 C ATOM 230 CG LEU A 15 4.752 -18.135 93.233 1.00 0.00 C ATOM 231 CD1 LEU A 15 4.206 -19.582 93.248 1.00 0.00 C ATOM 232 CD2 LEU A 15 4.881 -17.609 91.797 1.00 0.00 C ATOM 0 H LEU A 15 2.370 -15.628 95.030 1.00 0.00 H new ATOM 0 HA LEU A 15 2.804 -16.327 92.376 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.432 -16.278 94.262 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.634 -17.652 95.001 1.00 0.00 H new ATOM 0 HG LEU A 15 5.739 -18.167 93.693 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.861 -20.224 92.659 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.169 -19.946 94.275 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.203 -19.597 92.821 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.509 -18.285 91.217 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.893 -17.550 91.341 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.333 -16.617 91.812 1.00 0.00 H new ATOM 244 N ASP A 16 0.858 -18.433 93.802 1.00 0.00 N ATOM 245 CA ASP A 16 0.000 -19.605 93.509 1.00 0.00 C ATOM 246 C ASP A 16 -0.905 -19.287 92.305 1.00 0.00 C ATOM 247 O ASP A 16 -1.285 -20.160 91.543 1.00 0.00 O ATOM 248 CB ASP A 16 -0.868 -19.883 94.730 1.00 0.00 C ATOM 249 CG ASP A 16 -0.001 -20.365 95.903 1.00 0.00 C ATOM 250 OD1 ASP A 16 1.200 -20.394 95.750 1.00 0.00 O ATOM 251 OD2 ASP A 16 -0.568 -20.686 96.933 1.00 0.00 O ATOM 0 H ASP A 16 0.678 -17.976 94.696 1.00 0.00 H new ATOM 0 HA ASP A 16 0.617 -20.474 93.278 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.407 -18.979 95.015 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.616 -20.638 94.488 1.00 0.00 H new ATOM 256 N GLU A 17 -1.270 -18.045 92.142 1.00 0.00 N ATOM 257 CA GLU A 17 -2.181 -17.655 91.017 1.00 0.00 C ATOM 258 C GLU A 17 -1.416 -17.553 89.676 1.00 0.00 C ATOM 259 O GLU A 17 -1.873 -18.053 88.657 1.00 0.00 O ATOM 260 CB GLU A 17 -2.823 -16.301 91.364 1.00 0.00 C ATOM 261 CG GLU A 17 -4.045 -16.505 92.269 1.00 0.00 C ATOM 262 CD GLU A 17 -4.734 -15.157 92.501 1.00 0.00 C ATOM 263 OE1 GLU A 17 -5.167 -14.562 91.522 1.00 0.00 O ATOM 264 OE2 GLU A 17 -4.816 -14.738 93.649 1.00 0.00 O ATOM 0 H GLU A 17 -0.976 -17.274 92.742 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.946 -18.422 90.895 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.094 -15.663 91.864 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.121 -15.788 90.450 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.740 -17.207 91.808 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.739 -16.938 93.221 1.00 0.00 H new ATOM 271 N VAL A 18 -0.267 -16.929 89.653 1.00 0.00 N ATOM 272 CA VAL A 18 0.490 -16.826 88.362 1.00 0.00 C ATOM 273 C VAL A 18 0.889 -18.242 87.975 1.00 0.00 C ATOM 274 O VAL A 18 1.019 -18.586 86.811 1.00 0.00 O ATOM 275 CB VAL A 18 1.789 -15.982 88.538 1.00 0.00 C ATOM 276 CG1 VAL A 18 1.632 -14.575 88.005 1.00 0.00 C ATOM 277 CG2 VAL A 18 2.149 -15.902 90.021 1.00 0.00 C ATOM 0 H VAL A 18 0.178 -16.490 90.459 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.131 -16.345 87.606 1.00 0.00 H new ATOM 0 HB VAL A 18 2.577 -16.477 87.971 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.562 -14.025 88.150 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.394 -14.613 86.942 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.826 -14.071 88.539 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.057 -15.312 90.144 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.333 -15.430 90.569 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.314 -16.907 90.410 1.00 0.00 H new ATOM 287 N LYS A 19 1.103 -19.070 88.945 1.00 0.00 N ATOM 288 CA LYS A 19 1.514 -20.460 88.662 1.00 0.00 C ATOM 289 C LYS A 19 0.445 -21.173 87.829 1.00 0.00 C ATOM 290 O LYS A 19 0.736 -22.066 87.053 1.00 0.00 O ATOM 291 CB LYS A 19 1.737 -21.151 89.998 1.00 0.00 C ATOM 292 CG LYS A 19 2.396 -22.527 89.812 1.00 0.00 C ATOM 293 CD LYS A 19 3.232 -22.868 91.065 1.00 0.00 C ATOM 294 CE LYS A 19 4.641 -22.255 90.943 1.00 0.00 C ATOM 295 NZ LYS A 19 5.560 -23.231 90.299 1.00 0.00 N ATOM 0 H LYS A 19 1.010 -18.840 89.934 1.00 0.00 H new ATOM 0 HA LYS A 19 2.434 -20.483 88.078 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.366 -20.527 90.632 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.783 -21.269 90.513 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.633 -23.289 89.651 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.032 -22.521 88.927 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.737 -22.486 91.958 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.306 -23.949 91.180 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.599 -21.338 90.355 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.017 -21.984 91.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.263 -22.721 89.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.046 -23.786 91.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.014 -23.870 89.686 1.00 0.00 H new ATOM 309 N ASP A 20 -0.784 -20.768 87.982 1.00 0.00 N ATOM 310 CA ASP A 20 -1.877 -21.385 87.206 1.00 0.00 C ATOM 311 C ASP A 20 -1.746 -21.003 85.723 1.00 0.00 C ATOM 312 O ASP A 20 -1.996 -21.806 84.833 1.00 0.00 O ATOM 313 CB ASP A 20 -3.222 -20.878 87.760 1.00 0.00 C ATOM 314 CG ASP A 20 -4.373 -21.702 87.180 1.00 0.00 C ATOM 315 OD1 ASP A 20 -4.375 -22.901 87.368 1.00 0.00 O ATOM 316 OD2 ASP A 20 -5.240 -21.113 86.553 1.00 0.00 O ATOM 0 H ASP A 20 -1.074 -20.027 88.620 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.826 -22.470 87.292 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.226 -20.948 88.848 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.355 -19.826 87.508 1.00 0.00 H new ATOM 321 N TYR A 21 -1.383 -19.778 85.457 1.00 0.00 N ATOM 322 CA TYR A 21 -1.254 -19.323 84.044 1.00 0.00 C ATOM 323 C TYR A 21 -0.218 -20.178 83.299 1.00 0.00 C ATOM 324 O TYR A 21 -0.497 -20.714 82.249 1.00 0.00 O ATOM 325 CB TYR A 21 -0.826 -17.851 84.028 1.00 0.00 C ATOM 326 CG TYR A 21 -2.017 -16.965 84.352 1.00 0.00 C ATOM 327 CD1 TYR A 21 -2.475 -16.859 85.671 1.00 0.00 C ATOM 328 CD2 TYR A 21 -2.679 -16.270 83.334 1.00 0.00 C ATOM 329 CE1 TYR A 21 -3.592 -16.057 85.967 1.00 0.00 C ATOM 330 CE2 TYR A 21 -3.781 -15.473 83.631 1.00 0.00 C ATOM 331 CZ TYR A 21 -4.235 -15.366 84.942 1.00 0.00 C ATOM 332 OH TYR A 21 -5.328 -14.581 85.235 1.00 0.00 O ATOM 0 H TYR A 21 -1.170 -19.071 86.160 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.215 -19.432 83.542 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.030 -17.686 84.755 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.423 -17.591 83.049 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.970 -17.394 86.462 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.334 -16.352 82.314 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -3.949 -15.977 86.983 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.285 -14.936 82.841 1.00 0.00 H new ATOM 0 HH TYR A 21 -5.662 -14.165 84.413 1.00 0.00 H new ATOM 342 N VAL A 22 0.983 -20.288 83.806 1.00 0.00 N ATOM 343 CA VAL A 22 1.999 -21.098 83.062 1.00 0.00 C ATOM 344 C VAL A 22 1.553 -22.560 83.067 1.00 0.00 C ATOM 345 O VAL A 22 1.961 -23.342 82.237 1.00 0.00 O ATOM 346 CB VAL A 22 3.414 -20.932 83.688 1.00 0.00 C ATOM 347 CG1 VAL A 22 3.381 -19.800 84.688 1.00 0.00 C ATOM 348 CG2 VAL A 22 3.884 -22.211 84.405 1.00 0.00 C ATOM 0 H VAL A 22 1.301 -19.866 84.678 1.00 0.00 H new ATOM 0 HA VAL A 22 2.069 -20.746 82.033 1.00 0.00 H new ATOM 0 HB VAL A 22 4.113 -20.722 82.878 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.369 -19.677 85.131 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.092 -18.878 84.184 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.658 -20.027 85.471 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.876 -22.048 84.826 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.186 -22.457 85.205 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.923 -23.034 83.692 1.00 0.00 H new ATOM 358 N ALA A 23 0.710 -22.930 83.985 1.00 0.00 N ATOM 359 CA ALA A 23 0.237 -24.330 84.011 1.00 0.00 C ATOM 360 C ALA A 23 -0.305 -24.634 82.632 1.00 0.00 C ATOM 361 O ALA A 23 -0.386 -25.770 82.206 1.00 0.00 O ATOM 362 CB ALA A 23 -0.869 -24.465 85.047 1.00 0.00 C ATOM 0 H ALA A 23 0.332 -22.325 84.713 1.00 0.00 H new ATOM 0 HA ALA A 23 1.040 -25.020 84.272 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.222 -25.496 85.070 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.483 -24.191 86.029 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.696 -23.805 84.785 1.00 0.00 H new ATOM 368 N LYS A 24 -0.647 -23.601 81.931 1.00 0.00 N ATOM 369 CA LYS A 24 -1.158 -23.764 80.548 1.00 0.00 C ATOM 370 C LYS A 24 -0.056 -24.428 79.718 1.00 0.00 C ATOM 371 O LYS A 24 0.014 -25.634 79.579 1.00 0.00 O ATOM 372 CB LYS A 24 -1.482 -22.385 79.937 1.00 0.00 C ATOM 373 CG LYS A 24 -2.816 -21.817 80.482 1.00 0.00 C ATOM 374 CD LYS A 24 -3.970 -22.040 79.477 1.00 0.00 C ATOM 375 CE LYS A 24 -4.364 -23.518 79.436 1.00 0.00 C ATOM 376 NZ LYS A 24 -3.443 -24.259 78.536 1.00 0.00 N ATOM 0 H LYS A 24 -0.595 -22.637 82.259 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.065 -24.369 80.554 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.673 -21.689 80.159 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.540 -22.472 78.852 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.058 -22.297 81.430 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.706 -20.751 80.683 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.831 -21.435 79.762 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.664 -21.711 78.484 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.326 -23.942 80.439 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.391 -23.621 79.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.987 -24.692 77.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.741 -23.602 78.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.955 -25.003 79.075 1.00 0.00 H new ATOM 390 N GLY A 25 0.817 -23.623 79.178 1.00 0.00 N ATOM 391 CA GLY A 25 1.935 -24.166 78.372 1.00 0.00 C ATOM 392 C GLY A 25 3.030 -23.113 78.265 1.00 0.00 C ATOM 393 O GLY A 25 3.312 -22.604 77.205 1.00 0.00 O ATOM 0 H GLY A 25 0.800 -22.607 79.264 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.328 -25.071 78.835 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.582 -24.444 77.379 1.00 0.00 H new ATOM 397 N GLU A 26 3.648 -22.809 79.374 1.00 0.00 N ATOM 398 CA GLU A 26 4.760 -21.805 79.405 1.00 0.00 C ATOM 399 C GLU A 26 4.526 -20.683 78.394 1.00 0.00 C ATOM 400 O GLU A 26 4.944 -20.746 77.251 1.00 0.00 O ATOM 401 CB GLU A 26 6.111 -22.491 79.144 1.00 0.00 C ATOM 402 CG GLU A 26 5.947 -23.600 78.111 1.00 0.00 C ATOM 403 CD GLU A 26 7.304 -24.258 77.860 1.00 0.00 C ATOM 404 OE1 GLU A 26 8.283 -23.534 77.769 1.00 0.00 O ATOM 405 OE2 GLU A 26 7.340 -25.468 77.765 1.00 0.00 O ATOM 0 H GLU A 26 3.427 -23.221 80.281 1.00 0.00 H new ATOM 0 HA GLU A 26 4.779 -21.359 80.399 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.837 -21.759 78.790 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.503 -22.905 80.073 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.230 -24.341 78.466 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.550 -23.192 77.182 1.00 0.00 H new ATOM 412 N ASP A 27 3.881 -19.651 78.829 1.00 0.00 N ATOM 413 CA ASP A 27 3.618 -18.485 77.948 1.00 0.00 C ATOM 414 C ASP A 27 3.948 -17.225 78.729 1.00 0.00 C ATOM 415 O ASP A 27 3.309 -16.210 78.588 1.00 0.00 O ATOM 416 CB ASP A 27 2.144 -18.473 77.552 1.00 0.00 C ATOM 417 CG ASP A 27 1.932 -17.501 76.382 1.00 0.00 C ATOM 418 OD1 ASP A 27 2.766 -16.621 76.223 1.00 0.00 O ATOM 419 OD2 ASP A 27 0.936 -17.640 75.678 1.00 0.00 O ATOM 0 H ASP A 27 3.515 -19.560 79.777 1.00 0.00 H new ATOM 0 HA ASP A 27 4.226 -18.541 77.045 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.826 -19.476 77.267 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.531 -18.174 78.402 1.00 0.00 H new ATOM 424 N VAL A 28 4.958 -17.307 79.551 1.00 0.00 N ATOM 425 CA VAL A 28 5.369 -16.148 80.374 1.00 0.00 C ATOM 426 C VAL A 28 5.814 -15.002 79.481 1.00 0.00 C ATOM 427 O VAL A 28 6.973 -14.655 79.410 1.00 0.00 O ATOM 428 CB VAL A 28 6.523 -16.569 81.275 1.00 0.00 C ATOM 429 CG1 VAL A 28 5.981 -17.475 82.355 1.00 0.00 C ATOM 430 CG2 VAL A 28 7.576 -17.322 80.456 1.00 0.00 C ATOM 0 H VAL A 28 5.522 -18.146 79.685 1.00 0.00 H new ATOM 0 HA VAL A 28 4.525 -15.814 80.978 1.00 0.00 H new ATOM 0 HB VAL A 28 6.987 -15.688 81.719 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.794 -17.787 83.010 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.231 -16.939 82.937 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.526 -18.354 81.898 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.398 -17.620 81.107 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.125 -18.209 80.011 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.955 -16.673 79.666 1.00 0.00 H new ATOM 440 N ASN A 29 4.884 -14.418 78.808 1.00 0.00 N ATOM 441 CA ASN A 29 5.174 -13.298 77.895 1.00 0.00 C ATOM 442 C ASN A 29 3.857 -12.584 77.593 1.00 0.00 C ATOM 443 O ASN A 29 3.645 -12.058 76.517 1.00 0.00 O ATOM 444 CB ASN A 29 5.757 -13.856 76.586 1.00 0.00 C ATOM 445 CG ASN A 29 7.074 -14.578 76.840 1.00 0.00 C ATOM 446 OD1 ASN A 29 7.068 -15.799 77.316 1.00 0.00 O flip ATOM 447 ND2 ASN A 29 8.137 -14.025 76.607 1.00 0.00 N flip ATOM 0 H ASN A 29 3.899 -14.679 78.854 1.00 0.00 H new ATOM 0 HA ASN A 29 5.888 -12.609 78.346 1.00 0.00 H new ATOM 0 HB2 ASN A 29 5.044 -14.542 76.129 1.00 0.00 H new ATOM 0 HB3 ASN A 29 5.915 -13.043 75.878 1.00 0.00 H new ATOM 0 HD21 ASN A 29 8.147 -13.075 76.236 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.015 -14.513 76.783 1.00 0.00 H new ATOM 454 N ARG A 30 2.967 -12.572 78.547 1.00 0.00 N ATOM 455 CA ARG A 30 1.633 -11.921 78.371 1.00 0.00 C ATOM 456 C ARG A 30 1.634 -10.519 79.025 1.00 0.00 C ATOM 457 O ARG A 30 1.526 -10.383 80.242 1.00 0.00 O ATOM 458 CB ARG A 30 0.588 -12.803 79.072 1.00 0.00 C ATOM 459 CG ARG A 30 1.154 -13.307 80.435 1.00 0.00 C ATOM 460 CD ARG A 30 1.811 -14.689 80.319 1.00 0.00 C ATOM 461 NE ARG A 30 1.543 -15.464 81.573 1.00 0.00 N ATOM 462 CZ ARG A 30 1.801 -14.954 82.748 1.00 0.00 C ATOM 463 NH1 ARG A 30 2.427 -13.810 82.864 1.00 0.00 N ATOM 464 NH2 ARG A 30 1.477 -15.630 83.827 1.00 0.00 N ATOM 0 H ARG A 30 3.110 -12.996 79.464 1.00 0.00 H new ATOM 0 HA ARG A 30 1.406 -11.811 77.311 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.329 -12.237 79.235 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.330 -13.652 78.438 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.885 -12.590 80.809 1.00 0.00 H new ATOM 0 HG3 ARG A 30 0.347 -13.351 81.167 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.415 -15.223 79.455 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.885 -14.583 80.164 1.00 0.00 H new ATOM 0 HE ARG A 30 1.153 -16.404 81.508 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.721 -13.303 82.029 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.620 -13.426 83.789 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.029 -16.542 83.742 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.673 -15.242 84.750 1.00 0.00 H new ATOM 478 N THR A 31 1.741 -9.471 78.235 1.00 0.00 N ATOM 479 CA THR A 31 1.732 -8.097 78.820 1.00 0.00 C ATOM 480 C THR A 31 0.405 -7.891 79.552 1.00 0.00 C ATOM 481 O THR A 31 -0.584 -7.505 78.972 1.00 0.00 O ATOM 482 CB THR A 31 1.868 -7.044 77.709 1.00 0.00 C ATOM 483 OG1 THR A 31 3.043 -7.302 76.951 1.00 0.00 O ATOM 484 CG2 THR A 31 1.959 -5.638 78.327 1.00 0.00 C ATOM 0 H THR A 31 1.833 -9.512 77.220 1.00 0.00 H new ATOM 0 HA THR A 31 2.570 -7.988 79.509 1.00 0.00 H new ATOM 0 HB THR A 31 0.994 -7.096 77.060 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.826 -6.972 77.439 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.055 -4.897 77.533 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.057 -5.436 78.905 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.829 -5.584 78.981 1.00 0.00 H new ATOM 492 N LEU A 32 0.371 -8.177 80.830 1.00 0.00 N ATOM 493 CA LEU A 32 -0.900 -8.017 81.587 1.00 0.00 C ATOM 494 C LEU A 32 -1.159 -6.541 81.882 1.00 0.00 C ATOM 495 O LEU A 32 -2.257 -6.156 82.219 1.00 0.00 O ATOM 496 CB LEU A 32 -0.863 -8.837 82.911 1.00 0.00 C ATOM 497 CG LEU A 32 0.165 -8.301 83.944 1.00 0.00 C ATOM 498 CD1 LEU A 32 1.554 -8.128 83.319 1.00 0.00 C ATOM 499 CD2 LEU A 32 -0.295 -6.964 84.576 1.00 0.00 C ATOM 0 H LEU A 32 1.165 -8.512 81.375 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.715 -8.399 80.972 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.856 -8.830 83.361 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.626 -9.875 82.679 1.00 0.00 H new ATOM 0 HG LEU A 32 0.228 -9.050 84.733 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.247 -7.751 84.071 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.908 -9.090 82.948 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.495 -7.420 82.493 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.453 -6.624 85.293 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.415 -6.214 83.794 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.247 -7.111 85.087 1.00 0.00 H new ATOM 511 N GLU A 33 -0.163 -5.709 81.781 1.00 0.00 N ATOM 512 CA GLU A 33 -0.394 -4.265 82.062 1.00 0.00 C ATOM 513 C GLU A 33 -0.938 -3.574 80.796 1.00 0.00 C ATOM 514 O GLU A 33 -2.118 -3.308 80.660 1.00 0.00 O ATOM 515 CB GLU A 33 0.922 -3.609 82.507 1.00 0.00 C ATOM 516 CG GLU A 33 0.778 -2.084 82.596 1.00 0.00 C ATOM 517 CD GLU A 33 -0.528 -1.713 83.300 1.00 0.00 C ATOM 518 OE1 GLU A 33 -0.712 -2.158 84.430 1.00 0.00 O ATOM 519 OE2 GLU A 33 -1.316 -0.992 82.711 1.00 0.00 O ATOM 0 H GLU A 33 0.790 -5.961 81.519 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.126 -4.160 82.863 1.00 0.00 H new ATOM 0 HB2 GLU A 33 1.220 -4.006 83.477 1.00 0.00 H new ATOM 0 HB3 GLU A 33 1.714 -3.862 81.802 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.624 -1.663 83.140 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.795 -1.652 81.596 1.00 0.00 H new ATOM 526 N GLY A 34 -0.068 -3.265 79.876 1.00 0.00 N ATOM 527 CA GLY A 34 -0.499 -2.584 78.623 1.00 0.00 C ATOM 528 C GLY A 34 0.686 -2.432 77.674 1.00 0.00 C ATOM 529 O GLY A 34 0.524 -2.373 76.466 1.00 0.00 O ATOM 0 H GLY A 34 0.932 -3.457 79.939 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.289 -3.159 78.141 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.915 -1.604 78.857 1.00 0.00 H new ATOM 533 N GLY A 35 1.872 -2.373 78.204 1.00 0.00 N ATOM 534 CA GLY A 35 3.077 -2.220 77.334 1.00 0.00 C ATOM 535 C GLY A 35 4.324 -2.637 78.112 1.00 0.00 C ATOM 536 O GLY A 35 5.429 -2.268 77.770 1.00 0.00 O ATOM 0 H GLY A 35 2.064 -2.424 79.204 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.972 -2.833 76.439 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.171 -1.186 77.003 1.00 0.00 H new ATOM 540 N ARG A 36 4.162 -3.430 79.137 1.00 0.00 N ATOM 541 CA ARG A 36 5.354 -3.895 79.932 1.00 0.00 C ATOM 542 C ARG A 36 5.373 -5.414 79.985 1.00 0.00 C ATOM 543 O ARG A 36 4.844 -6.083 79.115 1.00 0.00 O ATOM 544 CB ARG A 36 5.286 -3.353 81.373 1.00 0.00 C ATOM 545 CG ARG A 36 4.676 -1.948 81.365 1.00 0.00 C ATOM 546 CD ARG A 36 5.196 -1.142 82.570 1.00 0.00 C ATOM 547 NE ARG A 36 6.631 -0.861 82.368 1.00 0.00 N ATOM 548 CZ ARG A 36 7.216 0.060 83.078 1.00 0.00 C ATOM 549 NH1 ARG A 36 6.541 0.728 83.972 1.00 0.00 N ATOM 550 NH2 ARG A 36 8.483 0.325 82.896 1.00 0.00 N ATOM 0 H ARG A 36 3.261 -3.780 79.464 1.00 0.00 H new ATOM 0 HA ARG A 36 6.257 -3.523 79.447 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.686 -4.018 81.994 1.00 0.00 H new ATOM 0 HB3 ARG A 36 6.285 -3.324 81.809 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.932 -1.437 80.437 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.589 -2.014 81.403 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.639 -0.210 82.670 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.047 -1.703 83.493 1.00 0.00 H new ATOM 0 HE ARG A 36 7.163 -1.387 81.674 1.00 0.00 H new ATOM 0 HH11 ARG A 36 5.551 0.530 84.117 1.00 0.00 H new ATOM 0 HH12 ARG A 36 7.003 1.449 84.526 1.00 0.00 H new ATOM 0 HH21 ARG A 36 9.016 -0.190 82.196 1.00 0.00 H new ATOM 0 HH22 ARG A 36 8.938 1.047 83.454 1.00 0.00 H new ATOM 564 N LYS A 37 5.990 -5.989 80.991 1.00 0.00 N ATOM 565 CA LYS A 37 6.047 -7.465 81.097 1.00 0.00 C ATOM 566 C LYS A 37 5.734 -7.867 82.553 1.00 0.00 C ATOM 567 O LYS A 37 6.261 -7.262 83.503 1.00 0.00 O ATOM 568 CB LYS A 37 7.463 -7.888 80.631 1.00 0.00 C ATOM 569 CG LYS A 37 7.496 -9.336 80.165 1.00 0.00 C ATOM 570 CD LYS A 37 7.729 -10.272 81.361 1.00 0.00 C ATOM 571 CE LYS A 37 7.550 -11.744 80.957 1.00 0.00 C ATOM 572 NZ LYS A 37 8.566 -12.581 81.688 1.00 0.00 N ATOM 0 H LYS A 37 6.458 -5.486 81.745 1.00 0.00 H new ATOM 0 HA LYS A 37 5.312 -7.971 80.472 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.788 -7.237 79.819 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.170 -7.753 81.449 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.557 -9.589 79.673 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.288 -9.471 79.428 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.734 -10.120 81.755 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.032 -10.024 82.161 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.542 -12.080 81.198 1.00 0.00 H new ATOM 0 HE3 LYS A 37 7.675 -11.856 79.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.085 -13.171 81.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.234 -11.959 82.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.082 -13.192 82.376 1.00 0.00 H new ATOM 586 N PRO A 38 5.136 -9.101 82.787 1.00 0.00 N ATOM 587 CA PRO A 38 4.781 -9.399 84.238 1.00 0.00 C ATOM 588 C PRO A 38 6.153 -9.786 85.027 1.00 0.00 C ATOM 589 O PRO A 38 6.082 -10.328 86.115 1.00 0.00 O ATOM 590 CB PRO A 38 3.976 -10.746 84.086 1.00 0.00 C ATOM 591 CG PRO A 38 3.770 -11.008 82.555 1.00 0.00 C ATOM 592 CD PRO A 38 4.379 -9.846 81.747 1.00 0.00 C ATOM 0 HA PRO A 38 4.268 -8.585 84.751 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.521 -11.571 84.545 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.015 -10.676 84.595 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.241 -11.949 82.270 1.00 0.00 H new ATOM 0 HG3 PRO A 38 2.707 -11.103 82.331 1.00 0.00 H new ATOM 0 HD2 PRO A 38 5.029 -10.203 80.948 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.611 -9.228 81.281 1.00 0.00 H new ATOM 600 N LEU A 39 7.318 -9.310 84.607 1.00 0.00 N ATOM 601 CA LEU A 39 8.579 -9.590 85.415 1.00 0.00 C ATOM 602 C LEU A 39 8.894 -8.288 86.171 1.00 0.00 C ATOM 603 O LEU A 39 9.577 -8.265 87.169 1.00 0.00 O ATOM 604 CB LEU A 39 9.725 -9.945 84.479 1.00 0.00 C ATOM 605 CG LEU A 39 11.043 -10.383 85.207 1.00 0.00 C ATOM 606 CD1 LEU A 39 10.787 -11.037 86.580 1.00 0.00 C ATOM 607 CD2 LEU A 39 11.778 -11.391 84.334 1.00 0.00 C ATOM 0 H LEU A 39 7.453 -8.754 83.763 1.00 0.00 H new ATOM 0 HA LEU A 39 8.442 -10.426 86.101 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.403 -10.751 83.820 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.942 -9.084 83.847 1.00 0.00 H new ATOM 0 HG LEU A 39 11.630 -9.479 85.372 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.738 -11.318 87.032 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.271 -10.330 87.229 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.171 -11.927 86.450 1.00 0.00 H new ATOM 0 HD21 LEU A 39 12.697 -11.702 84.832 1.00 0.00 H new ATOM 0 HD22 LEU A 39 11.142 -12.261 84.169 1.00 0.00 H new ATOM 0 HD23 LEU A 39 12.022 -10.933 83.376 1.00 0.00 H new ATOM 619 N HIS A 40 8.423 -7.187 85.667 1.00 0.00 N ATOM 620 CA HIS A 40 8.697 -5.885 86.348 1.00 0.00 C ATOM 621 C HIS A 40 7.982 -5.826 87.684 1.00 0.00 C ATOM 622 O HIS A 40 8.566 -5.504 88.707 1.00 0.00 O ATOM 623 CB HIS A 40 8.190 -4.753 85.449 1.00 0.00 C ATOM 624 CG HIS A 40 8.595 -3.431 86.031 1.00 0.00 C ATOM 625 ND1 HIS A 40 8.014 -2.929 87.177 1.00 0.00 N ATOM 626 CD2 HIS A 40 9.525 -2.498 85.643 1.00 0.00 C ATOM 627 CE1 HIS A 40 8.591 -1.732 87.432 1.00 0.00 C ATOM 628 NE2 HIS A 40 9.520 -1.431 86.525 1.00 0.00 N ATOM 0 H HIS A 40 7.862 -7.126 84.817 1.00 0.00 H new ATOM 0 HA HIS A 40 9.768 -5.784 86.523 1.00 0.00 H new ATOM 0 HB2 HIS A 40 8.600 -4.861 84.445 1.00 0.00 H new ATOM 0 HB3 HIS A 40 7.105 -4.805 85.358 1.00 0.00 H new ATOM 0 HD2 HIS A 40 10.166 -2.584 84.778 1.00 0.00 H new ATOM 0 HE1 HIS A 40 8.331 -1.099 88.267 1.00 0.00 H new ATOM 0 HE2 HIS A 40 10.102 -0.594 86.489 1.00 0.00 H new ATOM 636 N TYR A 41 6.722 -6.120 87.697 1.00 0.00 N ATOM 637 CA TYR A 41 5.917 -6.063 88.969 1.00 0.00 C ATOM 638 C TYR A 41 6.391 -7.199 89.875 1.00 0.00 C ATOM 639 O TYR A 41 6.503 -7.052 91.083 1.00 0.00 O ATOM 640 CB TYR A 41 4.440 -6.230 88.626 1.00 0.00 C ATOM 641 CG TYR A 41 4.164 -5.457 87.365 1.00 0.00 C ATOM 642 CD1 TYR A 41 4.463 -6.046 86.143 1.00 0.00 C ATOM 643 CD2 TYR A 41 3.619 -4.173 87.416 1.00 0.00 C ATOM 644 CE1 TYR A 41 4.221 -5.355 84.955 1.00 0.00 C ATOM 645 CE2 TYR A 41 3.387 -3.474 86.230 1.00 0.00 C ATOM 646 CZ TYR A 41 3.685 -4.064 85.006 1.00 0.00 C ATOM 647 OH TYR A 41 3.444 -3.387 83.829 1.00 0.00 O ATOM 0 H TYR A 41 6.193 -6.404 86.873 1.00 0.00 H new ATOM 0 HA TYR A 41 6.050 -5.109 89.479 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.198 -7.284 88.487 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.816 -5.864 89.441 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.883 -7.040 86.112 1.00 0.00 H new ATOM 0 HD2 TYR A 41 3.378 -3.723 88.368 1.00 0.00 H new ATOM 0 HE1 TYR A 41 4.446 -5.814 84.003 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.976 -2.476 86.263 1.00 0.00 H new ATOM 0 HH TYR A 41 3.223 -2.453 84.028 1.00 0.00 H new ATOM 657 N ALA A 42 6.697 -8.322 89.287 1.00 0.00 N ATOM 658 CA ALA A 42 7.202 -9.459 90.100 1.00 0.00 C ATOM 659 C ALA A 42 8.495 -8.973 90.712 1.00 0.00 C ATOM 660 O ALA A 42 8.646 -8.916 91.911 1.00 0.00 O ATOM 661 CB ALA A 42 7.471 -10.652 89.161 1.00 0.00 C ATOM 0 H ALA A 42 6.619 -8.499 88.286 1.00 0.00 H new ATOM 0 HA ALA A 42 6.497 -9.779 90.867 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.843 -11.496 89.742 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.546 -10.936 88.659 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.215 -10.369 88.417 1.00 0.00 H new ATOM 667 N ALA A 43 9.399 -8.586 89.881 1.00 0.00 N ATOM 668 CA ALA A 43 10.686 -8.039 90.355 1.00 0.00 C ATOM 669 C ALA A 43 10.422 -6.904 91.356 1.00 0.00 C ATOM 670 O ALA A 43 10.788 -6.985 92.510 1.00 0.00 O ATOM 671 CB ALA A 43 11.443 -7.522 89.119 1.00 0.00 C ATOM 0 H ALA A 43 9.301 -8.625 88.867 1.00 0.00 H new ATOM 0 HA ALA A 43 11.280 -8.798 90.864 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.403 -7.108 89.427 1.00 0.00 H new ATOM 0 HB2 ALA A 43 11.609 -8.345 88.424 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.854 -6.746 88.630 1.00 0.00 H new ATOM 677 N ASP A 44 9.796 -5.848 90.910 1.00 0.00 N ATOM 678 CA ASP A 44 9.496 -4.688 91.804 1.00 0.00 C ATOM 679 C ASP A 44 8.613 -5.061 93.004 1.00 0.00 C ATOM 680 O ASP A 44 8.634 -4.385 94.003 1.00 0.00 O ATOM 681 CB ASP A 44 8.800 -3.616 90.974 1.00 0.00 C ATOM 682 CG ASP A 44 9.804 -3.004 89.995 1.00 0.00 C ATOM 683 OD1 ASP A 44 10.014 -3.591 88.943 1.00 0.00 O ATOM 684 OD2 ASP A 44 10.373 -1.967 90.324 1.00 0.00 O ATOM 0 H ASP A 44 9.474 -5.737 89.949 1.00 0.00 H new ATOM 0 HA ASP A 44 10.440 -4.330 92.214 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.961 -4.049 90.429 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.392 -2.843 91.625 1.00 0.00 H new ATOM 689 N CYS A 45 7.836 -6.105 92.943 1.00 0.00 N ATOM 690 CA CYS A 45 6.969 -6.440 94.133 1.00 0.00 C ATOM 691 C CYS A 45 6.451 -7.875 93.991 1.00 0.00 C ATOM 692 O CYS A 45 5.253 -8.111 93.985 1.00 0.00 O ATOM 693 CB CYS A 45 5.769 -5.476 94.194 1.00 0.00 C ATOM 694 SG CYS A 45 6.247 -3.945 95.025 1.00 0.00 S ATOM 0 H CYS A 45 7.756 -6.735 92.145 1.00 0.00 H new ATOM 0 HA CYS A 45 7.558 -6.344 95.045 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.416 -5.257 93.186 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.942 -5.945 94.726 1.00 0.00 H new ATOM 0 HG CYS A 45 7.485 -3.666 94.743 1.00 0.00 H new ATOM 700 N GLY A 46 7.326 -8.823 93.859 1.00 0.00 N ATOM 701 CA GLY A 46 6.899 -10.250 93.708 1.00 0.00 C ATOM 702 C GLY A 46 7.346 -11.053 94.935 1.00 0.00 C ATOM 703 O GLY A 46 7.574 -12.239 94.832 1.00 0.00 O ATOM 0 H GLY A 46 8.335 -8.676 93.848 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.816 -10.306 93.599 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.333 -10.676 92.804 1.00 0.00 H new ATOM 707 N GLN A 47 7.516 -10.430 96.077 1.00 0.00 N ATOM 708 CA GLN A 47 8.001 -11.198 97.271 1.00 0.00 C ATOM 709 C GLN A 47 9.293 -11.923 96.856 1.00 0.00 C ATOM 710 O GLN A 47 9.782 -12.801 97.540 1.00 0.00 O ATOM 711 CB GLN A 47 6.922 -12.201 97.729 1.00 0.00 C ATOM 712 CG GLN A 47 5.841 -11.486 98.561 1.00 0.00 C ATOM 713 CD GLN A 47 5.553 -10.095 98.020 1.00 0.00 C ATOM 714 OE1 GLN A 47 4.597 -9.937 97.143 1.00 0.00 O flip ATOM 715 NE2 GLN A 47 6.211 -9.134 98.368 1.00 0.00 N flip ATOM 0 H GLN A 47 7.343 -9.437 96.235 1.00 0.00 H new ATOM 0 HA GLN A 47 8.201 -10.532 98.111 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.466 -12.676 96.860 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.381 -12.993 98.321 1.00 0.00 H new ATOM 0 HG2 GLN A 47 4.925 -12.077 98.555 1.00 0.00 H new ATOM 0 HG3 GLN A 47 6.167 -11.414 99.599 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.959 -9.249 99.052 1.00 0.00 H new ATOM 0 HE22 GLN A 47 6.015 -8.213 97.976 1.00 0.00 H new ATOM 724 N LEU A 48 9.832 -11.506 95.749 1.00 0.00 N ATOM 725 CA LEU A 48 11.107 -12.063 95.212 1.00 0.00 C ATOM 726 C LEU A 48 11.004 -13.548 94.869 1.00 0.00 C ATOM 727 O LEU A 48 11.976 -14.180 94.525 1.00 0.00 O ATOM 728 CB LEU A 48 12.227 -11.817 96.212 1.00 0.00 C ATOM 729 CG LEU A 48 12.580 -10.297 96.355 1.00 0.00 C ATOM 730 CD1 LEU A 48 11.941 -9.372 95.288 1.00 0.00 C ATOM 731 CD2 LEU A 48 12.140 -9.822 97.746 1.00 0.00 C ATOM 0 H LEU A 48 9.426 -10.772 95.169 1.00 0.00 H new ATOM 0 HA LEU A 48 11.327 -11.548 94.277 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.934 -12.212 97.185 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.116 -12.365 95.900 1.00 0.00 H new ATOM 0 HG LEU A 48 13.657 -10.223 96.207 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.244 -8.341 95.471 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.274 -9.677 94.296 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.855 -9.446 95.345 1.00 0.00 H new ATOM 0 HD21 LEU A 48 12.379 -8.765 97.862 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.065 -9.965 97.856 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.663 -10.398 98.509 1.00 0.00 H new ATOM 743 N GLU A 49 9.840 -14.083 94.931 1.00 0.00 N ATOM 744 CA GLU A 49 9.640 -15.513 94.582 1.00 0.00 C ATOM 745 C GLU A 49 9.043 -15.587 93.179 1.00 0.00 C ATOM 746 O GLU A 49 9.363 -16.460 92.393 1.00 0.00 O ATOM 747 CB GLU A 49 8.678 -16.143 95.588 1.00 0.00 C ATOM 748 CG GLU A 49 7.619 -15.116 95.976 1.00 0.00 C ATOM 749 CD GLU A 49 6.524 -15.784 96.807 1.00 0.00 C ATOM 750 OE1 GLU A 49 6.552 -16.988 96.935 1.00 0.00 O ATOM 751 OE2 GLU A 49 5.668 -15.070 97.299 1.00 0.00 O ATOM 0 H GLU A 49 8.993 -13.589 95.213 1.00 0.00 H new ATOM 0 HA GLU A 49 10.588 -16.050 94.610 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.206 -17.025 95.155 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.222 -16.474 96.472 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.076 -14.307 96.545 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.187 -14.671 95.080 1.00 0.00 H new ATOM 758 N ILE A 50 8.157 -14.669 92.881 1.00 0.00 N ATOM 759 CA ILE A 50 7.483 -14.646 91.549 1.00 0.00 C ATOM 760 C ILE A 50 8.467 -14.388 90.416 1.00 0.00 C ATOM 761 O ILE A 50 8.345 -14.948 89.353 1.00 0.00 O ATOM 762 CB ILE A 50 6.426 -13.534 91.566 1.00 0.00 C ATOM 763 CG1 ILE A 50 5.488 -13.715 92.822 1.00 0.00 C ATOM 764 CG2 ILE A 50 5.670 -13.567 90.243 1.00 0.00 C ATOM 765 CD1 ILE A 50 3.960 -13.711 92.511 1.00 0.00 C ATOM 0 H ILE A 50 7.869 -13.924 93.515 1.00 0.00 H new ATOM 0 HA ILE A 50 7.029 -15.621 91.372 1.00 0.00 H new ATOM 0 HB ILE A 50 6.885 -12.550 91.661 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.741 -14.655 93.313 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.701 -12.917 93.533 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.913 -12.782 90.237 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.368 -13.405 89.421 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.188 -14.537 90.124 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.400 -13.841 93.437 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.685 -12.762 92.051 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.726 -14.527 91.827 1.00 0.00 H new ATOM 777 N LEU A 51 9.417 -13.530 90.607 1.00 0.00 N ATOM 778 CA LEU A 51 10.347 -13.265 89.486 1.00 0.00 C ATOM 779 C LEU A 51 11.067 -14.561 89.109 1.00 0.00 C ATOM 780 O LEU A 51 11.072 -14.957 87.968 1.00 0.00 O ATOM 781 CB LEU A 51 11.369 -12.121 89.788 1.00 0.00 C ATOM 782 CG LEU A 51 11.550 -11.819 91.281 1.00 0.00 C ATOM 783 CD1 LEU A 51 10.232 -11.351 91.949 1.00 0.00 C ATOM 784 CD2 LEU A 51 12.114 -13.052 91.995 1.00 0.00 C ATOM 0 H LEU A 51 9.590 -13.011 91.468 1.00 0.00 H new ATOM 0 HA LEU A 51 9.753 -12.912 88.643 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.336 -12.391 89.363 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.041 -11.213 89.282 1.00 0.00 H new ATOM 0 HG LEU A 51 12.257 -10.995 91.371 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.411 -11.150 93.005 1.00 0.00 H new ATOM 0 HD12 LEU A 51 9.879 -10.442 91.461 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.477 -12.132 91.851 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.241 -12.832 93.055 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.424 -13.888 91.878 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.079 -13.314 91.561 1.00 0.00 H new ATOM 796 N GLU A 52 11.680 -15.210 90.037 1.00 0.00 N ATOM 797 CA GLU A 52 12.377 -16.472 89.699 1.00 0.00 C ATOM 798 C GLU A 52 11.410 -17.442 89.038 1.00 0.00 C ATOM 799 O GLU A 52 11.803 -18.240 88.221 1.00 0.00 O ATOM 800 CB GLU A 52 12.888 -17.123 90.979 1.00 0.00 C ATOM 801 CG GLU A 52 14.005 -16.277 91.605 1.00 0.00 C ATOM 802 CD GLU A 52 14.946 -17.176 92.413 1.00 0.00 C ATOM 803 OE1 GLU A 52 14.635 -17.455 93.552 1.00 0.00 O ATOM 804 OE2 GLU A 52 15.963 -17.556 91.870 1.00 0.00 O ATOM 0 H GLU A 52 11.732 -14.927 91.016 1.00 0.00 H new ATOM 0 HA GLU A 52 13.201 -16.245 89.022 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.068 -17.236 91.689 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.261 -18.124 90.761 1.00 0.00 H new ATOM 0 HG2 GLU A 52 14.563 -15.760 90.824 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.575 -15.511 92.251 1.00 0.00 H new ATOM 811 N PHE A 53 10.159 -17.418 89.426 1.00 0.00 N ATOM 812 CA PHE A 53 9.172 -18.379 88.863 1.00 0.00 C ATOM 813 C PHE A 53 8.979 -18.229 87.352 1.00 0.00 C ATOM 814 O PHE A 53 9.393 -19.080 86.588 1.00 0.00 O ATOM 815 CB PHE A 53 7.814 -18.183 89.555 1.00 0.00 C ATOM 816 CG PHE A 53 6.786 -19.065 88.879 1.00 0.00 C ATOM 817 CD1 PHE A 53 6.977 -20.451 88.827 1.00 0.00 C ATOM 818 CD2 PHE A 53 5.660 -18.498 88.274 1.00 0.00 C ATOM 819 CE1 PHE A 53 6.049 -21.261 88.167 1.00 0.00 C ATOM 820 CE2 PHE A 53 4.732 -19.309 87.626 1.00 0.00 C ATOM 821 CZ PHE A 53 4.932 -20.689 87.572 1.00 0.00 C ATOM 0 H PHE A 53 9.780 -16.767 90.114 1.00 0.00 H new ATOM 0 HA PHE A 53 9.569 -19.378 89.045 1.00 0.00 H new ATOM 0 HB2 PHE A 53 7.890 -18.436 90.613 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.510 -17.138 89.498 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.842 -20.894 89.297 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.510 -17.429 88.309 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.200 -22.329 88.120 1.00 0.00 H new ATOM 0 HE2 PHE A 53 3.859 -18.871 87.166 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.214 -21.316 87.064 1.00 0.00 H new ATOM 831 N LEU A 54 8.285 -17.229 86.910 1.00 0.00 N ATOM 832 CA LEU A 54 8.023 -17.134 85.452 1.00 0.00 C ATOM 833 C LEU A 54 9.365 -17.079 84.702 1.00 0.00 C ATOM 834 O LEU A 54 9.504 -17.570 83.599 1.00 0.00 O ATOM 835 CB LEU A 54 7.110 -15.934 85.099 1.00 0.00 C ATOM 836 CG LEU A 54 7.057 -14.916 86.219 1.00 0.00 C ATOM 837 CD1 LEU A 54 8.430 -14.331 86.486 1.00 0.00 C ATOM 838 CD2 LEU A 54 6.108 -13.793 85.801 1.00 0.00 C ATOM 0 H LEU A 54 7.891 -16.482 87.482 1.00 0.00 H new ATOM 0 HA LEU A 54 7.477 -18.022 85.135 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.475 -15.455 84.190 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.103 -16.294 84.888 1.00 0.00 H new ATOM 0 HG LEU A 54 6.709 -15.404 87.130 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.364 -13.603 87.294 1.00 0.00 H new ATOM 0 HD12 LEU A 54 9.116 -15.129 86.771 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.798 -13.840 85.585 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.055 -13.047 86.594 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.477 -13.326 84.888 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.114 -14.204 85.622 1.00 0.00 H new ATOM 850 N LEU A 55 10.372 -16.540 85.310 1.00 0.00 N ATOM 851 CA LEU A 55 11.709 -16.515 84.657 1.00 0.00 C ATOM 852 C LEU A 55 12.176 -17.973 84.561 1.00 0.00 C ATOM 853 O LEU A 55 12.871 -18.362 83.656 1.00 0.00 O ATOM 854 CB LEU A 55 12.636 -15.686 85.529 1.00 0.00 C ATOM 855 CG LEU A 55 13.788 -15.109 84.712 1.00 0.00 C ATOM 856 CD1 LEU A 55 14.640 -14.199 85.614 1.00 0.00 C ATOM 857 CD2 LEU A 55 14.655 -16.251 84.155 1.00 0.00 C ATOM 0 H LEU A 55 10.333 -16.112 86.235 1.00 0.00 H new ATOM 0 HA LEU A 55 11.692 -16.073 83.661 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.075 -14.876 85.994 1.00 0.00 H new ATOM 0 HB3 LEU A 55 13.031 -16.304 86.335 1.00 0.00 H new ATOM 0 HG LEU A 55 13.391 -14.529 83.879 1.00 0.00 H new ATOM 0 HD11 LEU A 55 15.465 -13.783 85.036 1.00 0.00 H new ATOM 0 HD12 LEU A 55 14.022 -13.388 86.000 1.00 0.00 H new ATOM 0 HD13 LEU A 55 15.037 -14.780 86.446 1.00 0.00 H new ATOM 0 HD21 LEU A 55 15.476 -15.833 83.572 1.00 0.00 H new ATOM 0 HD22 LEU A 55 15.058 -16.838 84.980 1.00 0.00 H new ATOM 0 HD23 LEU A 55 14.047 -16.892 83.517 1.00 0.00 H new ATOM 869 N LEU A 56 11.733 -18.781 85.479 1.00 0.00 N ATOM 870 CA LEU A 56 12.066 -20.222 85.452 1.00 0.00 C ATOM 871 C LEU A 56 11.601 -20.763 84.095 1.00 0.00 C ATOM 872 O LEU A 56 12.304 -21.460 83.402 1.00 0.00 O ATOM 873 CB LEU A 56 11.300 -20.922 86.587 1.00 0.00 C ATOM 874 CG LEU A 56 12.061 -22.154 87.094 1.00 0.00 C ATOM 875 CD1 LEU A 56 12.304 -23.133 85.939 1.00 0.00 C ATOM 876 CD2 LEU A 56 13.402 -21.727 87.743 1.00 0.00 C ATOM 0 H LEU A 56 11.143 -18.494 86.260 1.00 0.00 H new ATOM 0 HA LEU A 56 13.134 -20.395 85.586 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.145 -20.223 87.409 1.00 0.00 H new ATOM 0 HB3 LEU A 56 10.314 -21.221 86.233 1.00 0.00 H new ATOM 0 HG LEU A 56 11.459 -22.656 87.852 1.00 0.00 H new ATOM 0 HD11 LEU A 56 12.845 -24.004 86.308 1.00 0.00 H new ATOM 0 HD12 LEU A 56 11.348 -23.449 85.523 1.00 0.00 H new ATOM 0 HD13 LEU A 56 12.893 -22.642 85.164 1.00 0.00 H new ATOM 0 HD21 LEU A 56 13.932 -22.611 88.098 1.00 0.00 H new ATOM 0 HD22 LEU A 56 14.015 -21.209 87.005 1.00 0.00 H new ATOM 0 HD23 LEU A 56 13.204 -21.061 88.583 1.00 0.00 H new ATOM 888 N LYS A 57 10.396 -20.419 83.718 1.00 0.00 N ATOM 889 CA LYS A 57 9.848 -20.880 82.416 1.00 0.00 C ATOM 890 C LYS A 57 10.647 -20.221 81.299 1.00 0.00 C ATOM 891 O LYS A 57 11.807 -20.516 81.121 1.00 0.00 O ATOM 892 CB LYS A 57 8.372 -20.481 82.293 1.00 0.00 C ATOM 893 CG LYS A 57 7.577 -20.969 83.508 1.00 0.00 C ATOM 894 CD LYS A 57 7.328 -22.501 83.429 1.00 0.00 C ATOM 895 CE LYS A 57 7.692 -23.166 84.769 1.00 0.00 C ATOM 896 NZ LYS A 57 9.173 -23.209 84.912 1.00 0.00 N ATOM 0 H LYS A 57 9.766 -19.833 84.265 1.00 0.00 H new ATOM 0 HA LYS A 57 9.923 -21.965 82.348 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.289 -19.397 82.209 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.950 -20.905 81.382 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.121 -20.732 84.422 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.623 -20.444 83.558 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.283 -22.695 83.190 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.925 -22.933 82.626 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.252 -22.609 85.596 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.282 -24.175 84.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.420 -23.483 85.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.566 -23.905 84.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.569 -22.270 84.705 1.00 0.00 H new ATOM 910 N GLY A 58 10.053 -19.330 80.565 1.00 0.00 N ATOM 911 CA GLY A 58 10.806 -18.656 79.480 1.00 0.00 C ATOM 912 C GLY A 58 11.938 -17.867 80.117 1.00 0.00 C ATOM 913 O GLY A 58 12.740 -18.412 80.856 1.00 0.00 O ATOM 0 H GLY A 58 9.081 -19.040 80.669 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.201 -19.390 78.777 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.150 -17.994 78.915 1.00 0.00 H new ATOM 917 N ALA A 59 11.991 -16.585 79.883 1.00 0.00 N ATOM 918 CA ALA A 59 13.058 -15.764 80.513 1.00 0.00 C ATOM 919 C ALA A 59 13.092 -14.371 79.896 1.00 0.00 C ATOM 920 O ALA A 59 13.988 -14.017 79.165 1.00 0.00 O ATOM 921 CB ALA A 59 14.409 -16.419 80.322 1.00 0.00 C ATOM 0 H ALA A 59 11.343 -16.073 79.284 1.00 0.00 H new ATOM 0 HA ALA A 59 12.838 -15.685 81.578 1.00 0.00 H new ATOM 0 HB1 ALA A 59 15.180 -15.806 80.789 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.403 -17.407 80.783 1.00 0.00 H new ATOM 0 HB3 ALA A 59 14.619 -16.517 79.257 1.00 0.00 H new ATOM 927 N ASP A 60 12.141 -13.575 80.251 1.00 0.00 N ATOM 928 CA ASP A 60 12.116 -12.173 79.742 1.00 0.00 C ATOM 929 C ASP A 60 13.229 -11.418 80.449 1.00 0.00 C ATOM 930 O ASP A 60 13.395 -10.215 80.324 1.00 0.00 O ATOM 931 CB ASP A 60 10.777 -11.524 80.077 1.00 0.00 C ATOM 932 CG ASP A 60 10.786 -10.078 79.572 1.00 0.00 C ATOM 933 OD1 ASP A 60 11.252 -9.232 80.316 1.00 0.00 O ATOM 934 OD2 ASP A 60 10.341 -9.847 78.465 1.00 0.00 O ATOM 0 H ASP A 60 11.373 -13.826 80.873 1.00 0.00 H new ATOM 0 HA ASP A 60 12.252 -12.155 78.661 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.962 -12.080 79.613 1.00 0.00 H new ATOM 0 HB3 ASP A 60 10.606 -11.546 81.153 1.00 0.00 H new ATOM 939 N ILE A 61 13.983 -12.134 81.208 1.00 0.00 N ATOM 940 CA ILE A 61 15.097 -11.538 81.961 1.00 0.00 C ATOM 941 C ILE A 61 15.945 -10.664 81.048 1.00 0.00 C ATOM 942 O ILE A 61 16.648 -9.777 81.483 1.00 0.00 O ATOM 943 CB ILE A 61 15.950 -12.691 82.458 1.00 0.00 C ATOM 944 CG1 ILE A 61 16.994 -12.176 83.453 1.00 0.00 C ATOM 945 CG2 ILE A 61 16.634 -13.378 81.263 1.00 0.00 C ATOM 946 CD1 ILE A 61 18.035 -13.267 83.717 1.00 0.00 C ATOM 0 H ILE A 61 13.870 -13.139 81.342 1.00 0.00 H new ATOM 0 HA ILE A 61 14.720 -10.923 82.778 1.00 0.00 H new ATOM 0 HB ILE A 61 15.318 -13.419 82.967 1.00 0.00 H new ATOM 0 HG12 ILE A 61 17.480 -11.284 83.057 1.00 0.00 H new ATOM 0 HG13 ILE A 61 16.510 -11.888 84.386 1.00 0.00 H new ATOM 0 HG21 ILE A 61 17.246 -14.206 81.621 1.00 0.00 H new ATOM 0 HG22 ILE A 61 15.875 -13.757 80.578 1.00 0.00 H new ATOM 0 HG23 ILE A 61 17.266 -12.658 80.742 1.00 0.00 H new ATOM 0 HD11 ILE A 61 18.777 -12.898 84.425 1.00 0.00 H new ATOM 0 HD12 ILE A 61 17.543 -14.147 84.132 1.00 0.00 H new ATOM 0 HD13 ILE A 61 18.527 -13.534 82.782 1.00 0.00 H new ATOM 958 N ASN A 62 15.885 -10.937 79.782 1.00 0.00 N ATOM 959 CA ASN A 62 16.696 -10.167 78.797 1.00 0.00 C ATOM 960 C ASN A 62 15.832 -9.765 77.602 1.00 0.00 C ATOM 961 O ASN A 62 15.962 -8.676 77.088 1.00 0.00 O ATOM 962 CB ASN A 62 17.857 -11.041 78.342 1.00 0.00 C ATOM 963 CG ASN A 62 17.364 -12.436 77.934 1.00 0.00 C ATOM 964 OD1 ASN A 62 16.103 -12.767 78.114 1.00 0.00 O flip ATOM 965 ND2 ASN A 62 18.144 -13.232 77.433 1.00 0.00 N flip ATOM 0 H ASN A 62 15.302 -11.670 79.377 1.00 0.00 H new ATOM 0 HA ASN A 62 17.078 -9.256 79.259 1.00 0.00 H new ATOM 0 HB2 ASN A 62 18.365 -10.570 77.500 1.00 0.00 H new ATOM 0 HB3 ASN A 62 18.588 -11.130 79.146 1.00 0.00 H new ATOM 0 HD21 ASN A 62 19.120 -12.971 77.295 1.00 0.00 H new ATOM 0 HD22 ASN A 62 17.819 -14.157 77.152 1.00 0.00 H new ATOM 972 N ALA A 63 14.930 -10.622 77.192 1.00 0.00 N ATOM 973 CA ALA A 63 13.990 -10.316 76.038 1.00 0.00 C ATOM 974 C ALA A 63 13.920 -8.811 75.655 1.00 0.00 C ATOM 975 O ALA A 63 14.238 -8.487 74.527 1.00 0.00 O ATOM 976 CB ALA A 63 12.574 -10.854 76.307 1.00 0.00 C ATOM 0 H ALA A 63 14.793 -11.543 77.609 1.00 0.00 H new ATOM 0 HA ALA A 63 14.422 -10.835 75.182 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.928 -10.617 75.461 1.00 0.00 H new ATOM 0 HB2 ALA A 63 12.615 -11.935 76.441 1.00 0.00 H new ATOM 0 HB3 ALA A 63 12.174 -10.391 77.209 1.00 0.00 H new ATOM 982 N PRO A 64 13.496 -7.933 76.574 1.00 0.00 N ATOM 983 CA PRO A 64 13.368 -6.486 76.346 1.00 0.00 C ATOM 984 C PRO A 64 13.916 -5.959 75.011 1.00 0.00 C ATOM 985 O PRO A 64 14.988 -6.299 74.563 1.00 0.00 O ATOM 986 CB PRO A 64 14.036 -5.912 77.576 1.00 0.00 C ATOM 987 CG PRO A 64 13.777 -6.972 78.695 1.00 0.00 C ATOM 988 CD PRO A 64 13.183 -8.230 77.984 1.00 0.00 C ATOM 0 HA PRO A 64 12.329 -6.179 76.230 1.00 0.00 H new ATOM 0 HB2 PRO A 64 15.103 -5.760 77.413 1.00 0.00 H new ATOM 0 HB3 PRO A 64 13.613 -4.943 77.842 1.00 0.00 H new ATOM 0 HG2 PRO A 64 14.702 -7.221 79.215 1.00 0.00 H new ATOM 0 HG3 PRO A 64 13.084 -6.586 79.443 1.00 0.00 H new ATOM 0 HD2 PRO A 64 13.650 -9.154 78.324 1.00 0.00 H new ATOM 0 HD3 PRO A 64 12.111 -8.333 78.155 1.00 0.00 H new ATOM 996 N ASP A 65 13.166 -5.086 74.421 1.00 0.00 N ATOM 997 CA ASP A 65 13.566 -4.446 73.142 1.00 0.00 C ATOM 998 C ASP A 65 12.955 -3.057 73.131 1.00 0.00 C ATOM 999 O ASP A 65 13.609 -2.075 72.825 1.00 0.00 O ATOM 1000 CB ASP A 65 13.038 -5.267 71.959 1.00 0.00 C ATOM 1001 CG ASP A 65 13.965 -6.456 71.690 1.00 0.00 C ATOM 1002 OD1 ASP A 65 15.065 -6.227 71.221 1.00 0.00 O ATOM 1003 OD2 ASP A 65 13.528 -7.579 71.931 1.00 0.00 O ATOM 0 H ASP A 65 12.263 -4.777 74.781 1.00 0.00 H new ATOM 0 HA ASP A 65 14.651 -4.392 73.054 1.00 0.00 H new ATOM 0 HB2 ASP A 65 12.030 -5.623 72.174 1.00 0.00 H new ATOM 0 HB3 ASP A 65 12.972 -4.639 71.071 1.00 0.00 H new ATOM 1008 N LYS A 66 11.696 -2.968 73.488 1.00 0.00 N ATOM 1009 CA LYS A 66 11.020 -1.661 73.531 1.00 0.00 C ATOM 1010 C LYS A 66 11.313 -1.028 74.894 1.00 0.00 C ATOM 1011 O LYS A 66 11.490 0.169 75.028 1.00 0.00 O ATOM 1012 CB LYS A 66 9.522 -1.926 73.386 1.00 0.00 C ATOM 1013 CG LYS A 66 8.810 -0.673 72.889 1.00 0.00 C ATOM 1014 CD LYS A 66 8.751 0.408 73.982 1.00 0.00 C ATOM 1015 CE LYS A 66 7.553 1.328 73.720 1.00 0.00 C ATOM 1016 NZ LYS A 66 7.590 1.817 72.313 1.00 0.00 N ATOM 0 H LYS A 66 11.113 -3.762 73.752 1.00 0.00 H new ATOM 0 HA LYS A 66 11.360 -0.992 72.740 1.00 0.00 H new ATOM 0 HB2 LYS A 66 9.357 -2.747 72.689 1.00 0.00 H new ATOM 0 HB3 LYS A 66 9.105 -2.233 74.345 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.328 -0.281 72.014 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.799 -0.928 72.572 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.660 -0.056 74.964 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.675 0.987 73.987 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.623 0.790 73.903 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.574 2.173 74.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.980 2.654 72.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.566 2.070 72.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.249 1.069 71.676 1.00 0.00 H new ATOM 1030 N HIS A 67 11.382 -1.848 75.907 1.00 0.00 N ATOM 1031 CA HIS A 67 11.682 -1.363 77.277 1.00 0.00 C ATOM 1032 C HIS A 67 13.175 -1.026 77.388 1.00 0.00 C ATOM 1033 O HIS A 67 13.634 -0.542 78.404 1.00 0.00 O ATOM 1034 CB HIS A 67 11.305 -2.481 78.259 1.00 0.00 C ATOM 1035 CG HIS A 67 10.058 -3.186 77.770 1.00 0.00 C ATOM 1036 ND1 HIS A 67 9.145 -2.575 76.921 1.00 0.00 N ATOM 1037 CD2 HIS A 67 9.584 -4.457 77.978 1.00 0.00 C ATOM 1038 CE1 HIS A 67 8.178 -3.479 76.657 1.00 0.00 C ATOM 1039 NE2 HIS A 67 8.396 -4.646 77.278 1.00 0.00 N ATOM 0 H HIS A 67 11.239 -2.856 75.837 1.00 0.00 H new ATOM 0 HA HIS A 67 11.115 -0.461 77.505 1.00 0.00 H new ATOM 0 HB2 HIS A 67 12.126 -3.192 78.349 1.00 0.00 H new ATOM 0 HB3 HIS A 67 11.134 -2.065 79.252 1.00 0.00 H new ATOM 0 HD2 HIS A 67 10.063 -5.202 78.595 1.00 0.00 H new ATOM 0 HE1 HIS A 67 7.328 -3.284 76.020 1.00 0.00 H new ATOM 0 HE2 HIS A 67 7.819 -5.487 77.245 1.00 0.00 H new ATOM 1047 N HIS A 68 13.931 -1.278 76.355 1.00 0.00 N ATOM 1048 CA HIS A 68 15.400 -0.973 76.389 1.00 0.00 C ATOM 1049 C HIS A 68 15.992 -1.285 77.762 1.00 0.00 C ATOM 1050 O HIS A 68 16.946 -0.660 78.186 1.00 0.00 O ATOM 1051 CB HIS A 68 15.613 0.514 76.093 1.00 0.00 C ATOM 1052 CG HIS A 68 14.883 1.329 77.128 1.00 0.00 C ATOM 1053 ND1 HIS A 68 15.320 1.439 78.438 1.00 0.00 N ATOM 1054 CD2 HIS A 68 13.730 2.071 77.053 1.00 0.00 C ATOM 1055 CE1 HIS A 68 14.448 2.224 79.088 1.00 0.00 C ATOM 1056 NE2 HIS A 68 13.462 2.632 78.297 1.00 0.00 N ATOM 0 H HIS A 68 13.597 -1.685 75.481 1.00 0.00 H new ATOM 0 HA HIS A 68 15.896 -1.591 75.640 1.00 0.00 H new ATOM 0 HB2 HIS A 68 16.677 0.752 76.108 1.00 0.00 H new ATOM 0 HB3 HIS A 68 15.246 0.756 75.096 1.00 0.00 H new ATOM 0 HD1 HIS A 68 16.152 1.003 78.835 1.00 0.00 H new ATOM 0 HD2 HIS A 68 13.126 2.199 76.167 1.00 0.00 H new ATOM 0 HE1 HIS A 68 14.537 2.492 80.130 1.00 0.00 H new ATOM 1064 N ILE A 69 15.431 -2.226 78.483 1.00 0.00 N ATOM 1065 CA ILE A 69 15.973 -2.542 79.832 1.00 0.00 C ATOM 1066 C ILE A 69 15.602 -3.937 80.240 1.00 0.00 C ATOM 1067 O ILE A 69 14.650 -4.517 79.787 1.00 0.00 O ATOM 1068 CB ILE A 69 15.445 -1.510 80.880 1.00 0.00 C ATOM 1069 CG1 ILE A 69 16.641 -0.948 81.653 1.00 0.00 C ATOM 1070 CG2 ILE A 69 14.433 -2.125 81.899 1.00 0.00 C ATOM 1071 CD1 ILE A 69 17.371 -2.051 82.402 1.00 0.00 C ATOM 0 H ILE A 69 14.627 -2.783 78.194 1.00 0.00 H new ATOM 0 HA ILE A 69 17.060 -2.477 79.791 1.00 0.00 H new ATOM 0 HB ILE A 69 14.912 -0.734 80.330 1.00 0.00 H new ATOM 0 HG12 ILE A 69 17.327 -0.457 80.963 1.00 0.00 H new ATOM 0 HG13 ILE A 69 16.300 -0.189 82.357 1.00 0.00 H new ATOM 0 HG21 ILE A 69 14.107 -1.355 82.598 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.569 -2.518 81.362 1.00 0.00 H new ATOM 0 HG23 ILE A 69 14.916 -2.932 82.449 1.00 0.00 H new ATOM 0 HD11 ILE A 69 18.216 -1.626 82.943 1.00 0.00 H new ATOM 0 HD12 ILE A 69 16.689 -2.524 83.109 1.00 0.00 H new ATOM 0 HD13 ILE A 69 17.732 -2.795 81.692 1.00 0.00 H new ATOM 1083 N THR A 70 16.367 -4.456 81.142 1.00 0.00 N ATOM 1084 CA THR A 70 16.131 -5.808 81.653 1.00 0.00 C ATOM 1085 C THR A 70 15.654 -5.657 83.089 1.00 0.00 C ATOM 1086 O THR A 70 15.798 -4.603 83.669 1.00 0.00 O ATOM 1087 CB THR A 70 17.424 -6.601 81.570 1.00 0.00 C ATOM 1088 OG1 THR A 70 17.384 -7.610 82.545 1.00 0.00 O ATOM 1089 CG2 THR A 70 18.585 -5.622 81.800 1.00 0.00 C ATOM 0 H THR A 70 17.169 -3.980 81.555 1.00 0.00 H new ATOM 0 HA THR A 70 15.381 -6.345 81.073 1.00 0.00 H new ATOM 0 HB THR A 70 17.558 -7.077 80.599 1.00 0.00 H new ATOM 0 HG1 THR A 70 17.479 -8.485 82.114 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.531 -6.161 81.747 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.565 -4.847 81.034 1.00 0.00 H new ATOM 0 HG23 THR A 70 18.484 -5.162 82.783 1.00 0.00 H new ATOM 1097 N PRO A 71 14.975 -6.627 83.613 1.00 0.00 N ATOM 1098 CA PRO A 71 14.345 -6.469 84.925 1.00 0.00 C ATOM 1099 C PRO A 71 15.295 -6.410 86.126 1.00 0.00 C ATOM 1100 O PRO A 71 14.881 -6.038 87.206 1.00 0.00 O ATOM 1101 CB PRO A 71 13.364 -7.659 84.988 1.00 0.00 C ATOM 1102 CG PRO A 71 13.391 -8.294 83.590 1.00 0.00 C ATOM 1103 CD PRO A 71 14.743 -7.949 83.017 1.00 0.00 C ATOM 0 HA PRO A 71 13.864 -5.494 85.008 1.00 0.00 H new ATOM 0 HB2 PRO A 71 13.668 -8.377 85.750 1.00 0.00 H new ATOM 0 HB3 PRO A 71 12.359 -7.325 85.247 1.00 0.00 H new ATOM 0 HG2 PRO A 71 13.253 -9.374 83.647 1.00 0.00 H new ATOM 0 HG3 PRO A 71 12.588 -7.902 82.965 1.00 0.00 H new ATOM 0 HD2 PRO A 71 15.508 -8.670 83.304 1.00 0.00 H new ATOM 0 HD3 PRO A 71 14.732 -7.913 81.928 1.00 0.00 H new ATOM 1111 N LEU A 72 16.530 -6.754 86.000 1.00 0.00 N ATOM 1112 CA LEU A 72 17.390 -6.672 87.214 1.00 0.00 C ATOM 1113 C LEU A 72 17.377 -5.243 87.724 1.00 0.00 C ATOM 1114 O LEU A 72 17.311 -5.022 88.912 1.00 0.00 O ATOM 1115 CB LEU A 72 18.864 -7.133 86.978 1.00 0.00 C ATOM 1116 CG LEU A 72 19.066 -8.034 85.730 1.00 0.00 C ATOM 1117 CD1 LEU A 72 17.976 -9.128 85.578 1.00 0.00 C ATOM 1118 CD2 LEU A 72 19.129 -7.164 84.461 1.00 0.00 C ATOM 0 H LEU A 72 16.980 -7.079 85.145 1.00 0.00 H new ATOM 0 HA LEU A 72 16.973 -7.362 87.948 1.00 0.00 H new ATOM 0 HB2 LEU A 72 19.496 -6.250 86.879 1.00 0.00 H new ATOM 0 HB3 LEU A 72 19.208 -7.674 87.860 1.00 0.00 H new ATOM 0 HG LEU A 72 20.011 -8.559 85.871 1.00 0.00 H new ATOM 0 HD11 LEU A 72 18.178 -9.721 84.686 1.00 0.00 H new ATOM 0 HD12 LEU A 72 17.986 -9.776 86.455 1.00 0.00 H new ATOM 0 HD13 LEU A 72 16.998 -8.656 85.486 1.00 0.00 H new ATOM 0 HD21 LEU A 72 19.271 -7.802 83.589 1.00 0.00 H new ATOM 0 HD22 LEU A 72 18.198 -6.607 84.355 1.00 0.00 H new ATOM 0 HD23 LEU A 72 19.963 -6.466 84.539 1.00 0.00 H new ATOM 1130 N LEU A 73 17.428 -4.266 86.851 1.00 0.00 N ATOM 1131 CA LEU A 73 17.417 -2.849 87.339 1.00 0.00 C ATOM 1132 C LEU A 73 16.041 -2.536 87.918 1.00 0.00 C ATOM 1133 O LEU A 73 15.867 -1.672 88.737 1.00 0.00 O ATOM 1134 CB LEU A 73 17.767 -1.914 86.184 1.00 0.00 C ATOM 1135 CG LEU A 73 19.144 -2.337 85.613 1.00 0.00 C ATOM 1136 CD1 LEU A 73 18.978 -3.463 84.553 1.00 0.00 C ATOM 1137 CD2 LEU A 73 19.854 -1.097 85.036 1.00 0.00 C ATOM 0 H LEU A 73 17.476 -4.383 85.839 1.00 0.00 H new ATOM 0 HA LEU A 73 18.160 -2.706 88.124 1.00 0.00 H new ATOM 0 HB2 LEU A 73 17.003 -1.966 85.409 1.00 0.00 H new ATOM 0 HB3 LEU A 73 17.801 -0.881 86.529 1.00 0.00 H new ATOM 0 HG LEU A 73 19.764 -2.747 86.410 1.00 0.00 H new ATOM 0 HD11 LEU A 73 19.957 -3.745 84.165 1.00 0.00 H new ATOM 0 HD12 LEU A 73 18.507 -4.331 85.015 1.00 0.00 H new ATOM 0 HD13 LEU A 73 18.353 -3.104 83.735 1.00 0.00 H new ATOM 0 HD21 LEU A 73 20.824 -1.388 84.632 1.00 0.00 H new ATOM 0 HD22 LEU A 73 19.245 -0.666 84.241 1.00 0.00 H new ATOM 0 HD23 LEU A 73 19.996 -0.359 85.825 1.00 0.00 H new ATOM 1149 N SER A 74 15.048 -3.250 87.505 1.00 0.00 N ATOM 1150 CA SER A 74 13.694 -2.994 88.042 1.00 0.00 C ATOM 1151 C SER A 74 13.738 -3.074 89.577 1.00 0.00 C ATOM 1152 O SER A 74 13.284 -2.194 90.284 1.00 0.00 O ATOM 1153 CB SER A 74 12.701 -4.033 87.490 1.00 0.00 C ATOM 1154 OG SER A 74 12.295 -4.926 88.525 1.00 0.00 O ATOM 0 H SER A 74 15.112 -4.001 86.818 1.00 0.00 H new ATOM 0 HA SER A 74 13.364 -2.001 87.737 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.830 -3.528 87.073 1.00 0.00 H new ATOM 0 HB3 SER A 74 13.164 -4.593 86.678 1.00 0.00 H new ATOM 0 HG SER A 74 11.426 -4.643 88.879 1.00 0.00 H new ATOM 1160 N ALA A 75 14.285 -4.123 90.104 1.00 0.00 N ATOM 1161 CA ALA A 75 14.344 -4.262 91.590 1.00 0.00 C ATOM 1162 C ALA A 75 15.322 -3.251 92.172 1.00 0.00 C ATOM 1163 O ALA A 75 15.123 -2.752 93.257 1.00 0.00 O ATOM 1164 CB ALA A 75 14.822 -5.666 91.964 1.00 0.00 C ATOM 0 H ALA A 75 14.696 -4.894 89.577 1.00 0.00 H new ATOM 0 HA ALA A 75 13.346 -4.087 91.991 1.00 0.00 H new ATOM 0 HB1 ALA A 75 14.862 -5.760 93.049 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.130 -6.405 91.562 1.00 0.00 H new ATOM 0 HB3 ALA A 75 15.815 -5.835 91.548 1.00 0.00 H new ATOM 1170 N VAL A 76 16.389 -2.974 91.476 1.00 0.00 N ATOM 1171 CA VAL A 76 17.400 -2.028 91.986 1.00 0.00 C ATOM 1172 C VAL A 76 16.723 -0.804 92.593 1.00 0.00 C ATOM 1173 O VAL A 76 16.847 -0.535 93.771 1.00 0.00 O ATOM 1174 CB VAL A 76 18.284 -1.625 90.797 1.00 0.00 C ATOM 1175 CG1 VAL A 76 19.129 -0.393 91.105 1.00 0.00 C ATOM 1176 CG2 VAL A 76 19.163 -2.818 90.454 1.00 0.00 C ATOM 0 H VAL A 76 16.600 -3.373 90.561 1.00 0.00 H new ATOM 0 HA VAL A 76 18.001 -2.489 92.770 1.00 0.00 H new ATOM 0 HB VAL A 76 17.655 -1.355 89.948 1.00 0.00 H new ATOM 0 HG11 VAL A 76 19.739 -0.144 90.237 1.00 0.00 H new ATOM 0 HG12 VAL A 76 18.475 0.446 91.343 1.00 0.00 H new ATOM 0 HG13 VAL A 76 19.778 -0.600 91.956 1.00 0.00 H new ATOM 0 HG21 VAL A 76 19.806 -2.566 89.611 1.00 0.00 H new ATOM 0 HG22 VAL A 76 19.779 -3.076 91.316 1.00 0.00 H new ATOM 0 HG23 VAL A 76 18.535 -3.669 90.190 1.00 0.00 H new ATOM 1186 N TYR A 77 16.002 -0.049 91.811 1.00 0.00 N ATOM 1187 CA TYR A 77 15.322 1.145 92.374 1.00 0.00 C ATOM 1188 C TYR A 77 14.151 0.691 93.260 1.00 0.00 C ATOM 1189 O TYR A 77 13.097 1.304 93.269 1.00 0.00 O ATOM 1190 CB TYR A 77 14.792 2.048 91.225 1.00 0.00 C ATOM 1191 CG TYR A 77 15.642 1.870 89.989 1.00 0.00 C ATOM 1192 CD1 TYR A 77 15.314 0.902 89.042 1.00 0.00 C ATOM 1193 CD2 TYR A 77 16.758 2.699 89.791 1.00 0.00 C ATOM 1194 CE1 TYR A 77 16.102 0.759 87.897 1.00 0.00 C ATOM 1195 CE2 TYR A 77 17.541 2.555 88.646 1.00 0.00 C ATOM 1196 CZ TYR A 77 17.211 1.582 87.694 1.00 0.00 C ATOM 1197 OH TYR A 77 17.992 1.432 86.571 1.00 0.00 O ATOM 0 H TYR A 77 15.856 -0.207 90.814 1.00 0.00 H new ATOM 0 HA TYR A 77 16.033 1.716 92.971 1.00 0.00 H new ATOM 0 HB2 TYR A 77 13.755 1.795 91.002 1.00 0.00 H new ATOM 0 HB3 TYR A 77 14.805 3.092 91.537 1.00 0.00 H new ATOM 0 HD1 TYR A 77 14.455 0.265 89.192 1.00 0.00 H new ATOM 0 HD2 TYR A 77 17.010 3.449 90.526 1.00 0.00 H new ATOM 0 HE1 TYR A 77 15.851 0.007 87.164 1.00 0.00 H new ATOM 0 HE2 TYR A 77 18.400 3.192 88.494 1.00 0.00 H new ATOM 0 HH TYR A 77 18.119 2.304 86.142 1.00 0.00 H new ATOM 1207 N GLU A 78 14.314 -0.387 93.997 1.00 0.00 N ATOM 1208 CA GLU A 78 13.191 -0.882 94.858 1.00 0.00 C ATOM 1209 C GLU A 78 13.669 -1.020 96.301 1.00 0.00 C ATOM 1210 O GLU A 78 12.894 -0.960 97.239 1.00 0.00 O ATOM 1211 CB GLU A 78 12.772 -2.272 94.364 1.00 0.00 C ATOM 1212 CG GLU A 78 11.325 -2.571 94.786 1.00 0.00 C ATOM 1213 CD GLU A 78 11.094 -4.091 94.786 1.00 0.00 C ATOM 1214 OE1 GLU A 78 11.746 -4.771 94.015 1.00 0.00 O ATOM 1215 OE2 GLU A 78 10.276 -4.547 95.559 1.00 0.00 O ATOM 0 H GLU A 78 15.170 -0.940 94.038 1.00 0.00 H new ATOM 0 HA GLU A 78 12.359 -0.179 94.806 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.860 -2.322 93.279 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.442 -3.029 94.773 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.133 -2.163 95.778 1.00 0.00 H new ATOM 0 HG3 GLU A 78 10.628 -2.087 94.102 1.00 0.00 H new ATOM 1222 N GLY A 79 14.931 -1.290 96.482 1.00 0.00 N ATOM 1223 CA GLY A 79 15.443 -1.520 97.861 1.00 0.00 C ATOM 1224 C GLY A 79 15.272 -3.005 98.164 1.00 0.00 C ATOM 1225 O GLY A 79 15.721 -3.501 99.183 1.00 0.00 O ATOM 0 H GLY A 79 15.627 -1.361 95.739 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.491 -1.230 97.935 1.00 0.00 H new ATOM 0 HA3 GLY A 79 14.893 -0.915 98.582 1.00 0.00 H new ATOM 1229 N HIS A 80 14.654 -3.730 97.257 1.00 0.00 N ATOM 1230 CA HIS A 80 14.489 -5.198 97.472 1.00 0.00 C ATOM 1231 C HIS A 80 15.803 -5.868 97.178 1.00 0.00 C ATOM 1232 O HIS A 80 16.348 -6.553 98.020 1.00 0.00 O ATOM 1233 CB HIS A 80 13.432 -5.769 96.511 1.00 0.00 C ATOM 1234 CG HIS A 80 12.062 -5.657 97.115 1.00 0.00 C ATOM 1235 ND1 HIS A 80 11.163 -6.713 97.060 1.00 0.00 N ATOM 1236 CD2 HIS A 80 11.449 -4.678 97.856 1.00 0.00 C ATOM 1237 CE1 HIS A 80 10.075 -6.365 97.757 1.00 0.00 C ATOM 1238 NE2 HIS A 80 10.183 -5.126 98.267 1.00 0.00 N ATOM 0 H HIS A 80 14.262 -3.369 96.387 1.00 0.00 H new ATOM 0 HA HIS A 80 14.172 -5.376 98.500 1.00 0.00 H new ATOM 0 HB2 HIS A 80 13.464 -5.231 95.564 1.00 0.00 H new ATOM 0 HB3 HIS A 80 13.656 -6.813 96.292 1.00 0.00 H new ATOM 0 HD2 HIS A 80 11.874 -3.713 98.087 1.00 0.00 H new ATOM 0 HE1 HIS A 80 9.214 -7.003 97.893 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.497 -4.622 98.829 1.00 0.00 H new ATOM 1246 N VAL A 81 16.326 -5.668 95.988 1.00 0.00 N ATOM 1247 CA VAL A 81 17.622 -6.283 95.607 1.00 0.00 C ATOM 1248 C VAL A 81 17.824 -7.644 96.287 1.00 0.00 C ATOM 1249 O VAL A 81 18.920 -8.167 96.381 1.00 0.00 O ATOM 1250 CB VAL A 81 18.732 -5.256 95.901 1.00 0.00 C ATOM 1251 CG1 VAL A 81 18.851 -4.239 94.731 1.00 0.00 C ATOM 1252 CG2 VAL A 81 18.346 -4.455 97.154 1.00 0.00 C ATOM 0 H VAL A 81 15.897 -5.095 95.261 1.00 0.00 H new ATOM 0 HA VAL A 81 17.647 -6.515 94.542 1.00 0.00 H new ATOM 0 HB VAL A 81 19.672 -5.790 96.035 1.00 0.00 H new ATOM 0 HG11 VAL A 81 19.639 -3.520 94.953 1.00 0.00 H new ATOM 0 HG12 VAL A 81 19.093 -4.770 93.810 1.00 0.00 H new ATOM 0 HG13 VAL A 81 17.904 -3.713 94.608 1.00 0.00 H new ATOM 0 HG21 VAL A 81 19.124 -3.724 97.373 1.00 0.00 H new ATOM 0 HG22 VAL A 81 17.402 -3.939 96.979 1.00 0.00 H new ATOM 0 HG23 VAL A 81 18.237 -5.133 98.000 1.00 0.00 H new ATOM 1262 N SER A 82 16.739 -8.252 96.654 1.00 0.00 N ATOM 1263 CA SER A 82 16.770 -9.611 97.227 1.00 0.00 C ATOM 1264 C SER A 82 16.687 -10.506 96.001 1.00 0.00 C ATOM 1265 O SER A 82 17.142 -11.623 95.963 1.00 0.00 O ATOM 1266 CB SER A 82 15.559 -9.797 98.147 1.00 0.00 C ATOM 1267 OG SER A 82 15.979 -9.705 99.501 1.00 0.00 O ATOM 0 H SER A 82 15.806 -7.848 96.577 1.00 0.00 H new ATOM 0 HA SER A 82 17.651 -9.826 97.832 1.00 0.00 H new ATOM 0 HB2 SER A 82 14.807 -9.037 97.935 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.094 -10.766 97.964 1.00 0.00 H new ATOM 0 HG SER A 82 15.206 -9.822 100.092 1.00 0.00 H new ATOM 1273 N CYS A 83 16.094 -9.945 94.964 1.00 0.00 N ATOM 1274 CA CYS A 83 15.928 -10.658 93.652 1.00 0.00 C ATOM 1275 C CYS A 83 17.228 -10.531 92.847 1.00 0.00 C ATOM 1276 O CYS A 83 17.759 -11.505 92.381 1.00 0.00 O ATOM 1277 CB CYS A 83 14.766 -10.020 92.863 1.00 0.00 C ATOM 1278 SG CYS A 83 14.506 -8.334 93.449 1.00 0.00 S ATOM 0 H CYS A 83 15.710 -9.000 94.976 1.00 0.00 H new ATOM 0 HA CYS A 83 15.706 -11.711 93.829 1.00 0.00 H new ATOM 0 HB2 CYS A 83 14.993 -10.016 91.797 1.00 0.00 H new ATOM 0 HB3 CYS A 83 13.857 -10.607 92.993 1.00 0.00 H new ATOM 0 HG CYS A 83 13.312 -7.940 93.120 1.00 0.00 H new ATOM 1284 N VAL A 84 17.752 -9.348 92.681 1.00 0.00 N ATOM 1285 CA VAL A 84 19.024 -9.187 91.903 1.00 0.00 C ATOM 1286 C VAL A 84 20.007 -10.294 92.303 1.00 0.00 C ATOM 1287 O VAL A 84 20.685 -10.884 91.477 1.00 0.00 O ATOM 1288 CB VAL A 84 19.641 -7.841 92.257 1.00 0.00 C ATOM 1289 CG1 VAL A 84 18.689 -6.707 91.852 1.00 0.00 C ATOM 1290 CG2 VAL A 84 19.907 -7.820 93.759 1.00 0.00 C ATOM 0 H VAL A 84 17.358 -8.482 93.049 1.00 0.00 H new ATOM 0 HA VAL A 84 18.815 -9.245 90.835 1.00 0.00 H new ATOM 0 HB VAL A 84 20.578 -7.696 91.719 1.00 0.00 H new ATOM 0 HG11 VAL A 84 19.137 -5.747 92.108 1.00 0.00 H new ATOM 0 HG12 VAL A 84 18.510 -6.749 90.778 1.00 0.00 H new ATOM 0 HG13 VAL A 84 17.743 -6.819 92.382 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.350 -6.864 94.037 1.00 0.00 H new ATOM 0 HG22 VAL A 84 18.968 -7.955 94.297 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.593 -8.626 94.018 1.00 0.00 H new ATOM 1300 N LYS A 85 20.088 -10.576 93.581 1.00 0.00 N ATOM 1301 CA LYS A 85 21.012 -11.631 94.062 1.00 0.00 C ATOM 1302 C LYS A 85 20.790 -12.952 93.284 1.00 0.00 C ATOM 1303 O LYS A 85 21.559 -13.335 92.420 1.00 0.00 O ATOM 1304 CB LYS A 85 20.731 -11.843 95.582 1.00 0.00 C ATOM 1305 CG LYS A 85 21.993 -11.596 96.408 1.00 0.00 C ATOM 1306 CD LYS A 85 22.286 -10.095 96.474 1.00 0.00 C ATOM 1307 CE LYS A 85 23.758 -9.872 96.824 1.00 0.00 C ATOM 1308 NZ LYS A 85 24.611 -10.220 95.647 1.00 0.00 N ATOM 0 H LYS A 85 19.546 -10.113 94.311 1.00 0.00 H new ATOM 0 HA LYS A 85 22.047 -11.328 93.901 1.00 0.00 H new ATOM 0 HB2 LYS A 85 19.940 -11.167 95.908 1.00 0.00 H new ATOM 0 HB3 LYS A 85 20.373 -12.858 95.752 1.00 0.00 H new ATOM 0 HG2 LYS A 85 21.864 -11.995 97.414 1.00 0.00 H new ATOM 0 HG3 LYS A 85 22.838 -12.121 95.963 1.00 0.00 H new ATOM 0 HD2 LYS A 85 22.055 -9.627 95.517 1.00 0.00 H new ATOM 0 HD3 LYS A 85 21.649 -9.623 97.222 1.00 0.00 H new ATOM 0 HE2 LYS A 85 23.921 -8.833 97.110 1.00 0.00 H new ATOM 0 HE3 LYS A 85 24.036 -10.485 97.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 25.516 -9.712 95.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 24.789 -11.245 95.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 24.122 -9.946 94.771 1.00 0.00 H new ATOM 1322 N LEU A 86 19.762 -13.673 93.614 1.00 0.00 N ATOM 1323 CA LEU A 86 19.529 -14.979 92.910 1.00 0.00 C ATOM 1324 C LEU A 86 19.294 -14.760 91.416 1.00 0.00 C ATOM 1325 O LEU A 86 19.112 -15.694 90.665 1.00 0.00 O ATOM 1326 CB LEU A 86 18.368 -15.790 93.507 1.00 0.00 C ATOM 1327 CG LEU A 86 17.056 -15.019 93.643 1.00 0.00 C ATOM 1328 CD1 LEU A 86 17.208 -13.839 94.601 1.00 0.00 C ATOM 1329 CD2 LEU A 86 16.577 -14.530 92.274 1.00 0.00 C ATOM 0 H LEU A 86 19.076 -13.429 94.328 1.00 0.00 H new ATOM 0 HA LEU A 86 20.437 -15.564 93.055 1.00 0.00 H new ATOM 0 HB2 LEU A 86 18.196 -16.667 92.882 1.00 0.00 H new ATOM 0 HB3 LEU A 86 18.664 -16.153 94.491 1.00 0.00 H new ATOM 0 HG LEU A 86 16.310 -15.698 94.055 1.00 0.00 H new ATOM 0 HD11 LEU A 86 16.259 -13.309 94.678 1.00 0.00 H new ATOM 0 HD12 LEU A 86 17.501 -14.205 95.585 1.00 0.00 H new ATOM 0 HD13 LEU A 86 17.973 -13.160 94.224 1.00 0.00 H new ATOM 0 HD21 LEU A 86 15.641 -13.983 92.390 1.00 0.00 H new ATOM 0 HD22 LEU A 86 17.330 -13.873 91.838 1.00 0.00 H new ATOM 0 HD23 LEU A 86 16.418 -15.385 91.617 1.00 0.00 H new ATOM 1341 N LEU A 87 19.266 -13.529 90.989 1.00 0.00 N ATOM 1342 CA LEU A 87 19.014 -13.258 89.542 1.00 0.00 C ATOM 1343 C LEU A 87 20.227 -13.616 88.686 1.00 0.00 C ATOM 1344 O LEU A 87 20.190 -14.553 87.916 1.00 0.00 O ATOM 1345 CB LEU A 87 18.664 -11.775 89.350 1.00 0.00 C ATOM 1346 CG LEU A 87 17.301 -11.635 88.657 1.00 0.00 C ATOM 1347 CD1 LEU A 87 16.953 -10.150 88.561 1.00 0.00 C ATOM 1348 CD2 LEU A 87 17.337 -12.260 87.256 1.00 0.00 C ATOM 0 H LEU A 87 19.405 -12.703 91.572 1.00 0.00 H new ATOM 0 HA LEU A 87 18.180 -13.882 89.221 1.00 0.00 H new ATOM 0 HB2 LEU A 87 18.642 -11.271 90.316 1.00 0.00 H new ATOM 0 HB3 LEU A 87 19.435 -11.287 88.754 1.00 0.00 H new ATOM 0 HG LEU A 87 16.543 -12.160 89.239 1.00 0.00 H new ATOM 0 HD11 LEU A 87 15.987 -10.034 88.071 1.00 0.00 H new ATOM 0 HD12 LEU A 87 16.906 -9.722 89.562 1.00 0.00 H new ATOM 0 HD13 LEU A 87 17.718 -9.634 87.982 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.361 -12.150 86.783 1.00 0.00 H new ATOM 0 HD22 LEU A 87 18.092 -11.756 86.652 1.00 0.00 H new ATOM 0 HD23 LEU A 87 17.584 -13.319 87.336 1.00 0.00 H new ATOM 1360 N LEU A 88 21.311 -12.878 88.772 1.00 0.00 N ATOM 1361 CA LEU A 88 22.469 -13.231 87.904 1.00 0.00 C ATOM 1362 C LEU A 88 22.798 -14.708 88.085 1.00 0.00 C ATOM 1363 O LEU A 88 23.506 -15.308 87.293 1.00 0.00 O ATOM 1364 CB LEU A 88 23.700 -12.345 88.171 1.00 0.00 C ATOM 1365 CG LEU A 88 24.348 -12.614 89.555 1.00 0.00 C ATOM 1366 CD1 LEU A 88 23.280 -12.638 90.645 1.00 0.00 C ATOM 1367 CD2 LEU A 88 25.131 -13.951 89.546 1.00 0.00 C ATOM 0 H LEU A 88 21.438 -12.073 89.386 1.00 0.00 H new ATOM 0 HA LEU A 88 22.187 -13.045 86.868 1.00 0.00 H new ATOM 0 HB2 LEU A 88 24.440 -12.515 87.389 1.00 0.00 H new ATOM 0 HB3 LEU A 88 23.407 -11.297 88.110 1.00 0.00 H new ATOM 0 HG LEU A 88 25.049 -11.806 89.765 1.00 0.00 H new ATOM 0 HD11 LEU A 88 23.749 -12.828 91.610 1.00 0.00 H new ATOM 0 HD12 LEU A 88 22.768 -11.676 90.673 1.00 0.00 H new ATOM 0 HD13 LEU A 88 22.559 -13.427 90.431 1.00 0.00 H new ATOM 0 HD21 LEU A 88 25.576 -14.118 90.527 1.00 0.00 H new ATOM 0 HD22 LEU A 88 24.450 -14.770 89.312 1.00 0.00 H new ATOM 0 HD23 LEU A 88 25.918 -13.907 88.793 1.00 0.00 H new ATOM 1379 N SER A 89 22.248 -15.289 89.112 1.00 0.00 N ATOM 1380 CA SER A 89 22.469 -16.738 89.351 1.00 0.00 C ATOM 1381 C SER A 89 21.903 -17.493 88.154 1.00 0.00 C ATOM 1382 O SER A 89 22.194 -18.652 87.921 1.00 0.00 O ATOM 1383 CB SER A 89 21.736 -17.169 90.629 1.00 0.00 C ATOM 1384 OG SER A 89 22.342 -18.344 91.143 1.00 0.00 O ATOM 0 H SER A 89 21.654 -14.821 89.797 1.00 0.00 H new ATOM 0 HA SER A 89 23.531 -16.950 89.472 1.00 0.00 H new ATOM 0 HB2 SER A 89 21.775 -16.371 91.371 1.00 0.00 H new ATOM 0 HB3 SER A 89 20.683 -17.353 90.414 1.00 0.00 H new ATOM 0 HG SER A 89 21.877 -18.621 91.960 1.00 0.00 H new ATOM 1390 N LYS A 90 21.075 -16.814 87.400 1.00 0.00 N ATOM 1391 CA LYS A 90 20.442 -17.417 86.203 1.00 0.00 C ATOM 1392 C LYS A 90 21.129 -16.870 84.954 1.00 0.00 C ATOM 1393 O LYS A 90 21.002 -17.416 83.876 1.00 0.00 O ATOM 1394 CB LYS A 90 18.955 -17.017 86.195 1.00 0.00 C ATOM 1395 CG LYS A 90 18.178 -17.954 87.128 1.00 0.00 C ATOM 1396 CD LYS A 90 16.701 -17.528 87.208 1.00 0.00 C ATOM 1397 CE LYS A 90 16.507 -16.472 88.296 1.00 0.00 C ATOM 1398 NZ LYS A 90 16.971 -17.023 89.601 1.00 0.00 N ATOM 0 H LYS A 90 20.810 -15.845 87.574 1.00 0.00 H new ATOM 0 HA LYS A 90 20.536 -18.503 86.220 1.00 0.00 H new ATOM 0 HB2 LYS A 90 18.842 -15.983 86.521 1.00 0.00 H new ATOM 0 HB3 LYS A 90 18.555 -17.077 85.183 1.00 0.00 H new ATOM 0 HG2 LYS A 90 18.248 -18.979 86.765 1.00 0.00 H new ATOM 0 HG3 LYS A 90 18.622 -17.937 88.123 1.00 0.00 H new ATOM 0 HD2 LYS A 90 16.378 -17.131 86.246 1.00 0.00 H new ATOM 0 HD3 LYS A 90 16.077 -18.396 87.420 1.00 0.00 H new ATOM 0 HE2 LYS A 90 17.067 -15.570 88.048 1.00 0.00 H new ATOM 0 HE3 LYS A 90 15.457 -16.187 88.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 16.217 -16.920 90.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 17.205 -18.030 89.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 17.815 -16.504 89.916 1.00 0.00 H new ATOM 1412 N GLY A 91 21.849 -15.794 85.095 1.00 0.00 N ATOM 1413 CA GLY A 91 22.551 -15.173 83.929 1.00 0.00 C ATOM 1414 C GLY A 91 22.346 -13.666 83.988 1.00 0.00 C ATOM 1415 O GLY A 91 22.978 -12.978 84.761 1.00 0.00 O ATOM 0 H GLY A 91 21.985 -15.308 85.981 1.00 0.00 H new ATOM 0 HA2 GLY A 91 23.614 -15.412 83.956 1.00 0.00 H new ATOM 0 HA3 GLY A 91 22.158 -15.572 82.994 1.00 0.00 H new ATOM 1419 N ALA A 92 21.441 -13.156 83.197 1.00 0.00 N ATOM 1420 CA ALA A 92 21.145 -11.692 83.221 1.00 0.00 C ATOM 1421 C ALA A 92 22.434 -10.859 83.155 1.00 0.00 C ATOM 1422 O ALA A 92 22.366 -9.648 83.223 1.00 0.00 O ATOM 1423 CB ALA A 92 20.390 -11.384 84.544 1.00 0.00 C ATOM 0 H ALA A 92 20.889 -13.694 82.529 1.00 0.00 H new ATOM 0 HA ALA A 92 20.541 -11.429 82.353 1.00 0.00 H new ATOM 0 HB1 ALA A 92 20.159 -10.320 84.592 1.00 0.00 H new ATOM 0 HB2 ALA A 92 19.464 -11.958 84.577 1.00 0.00 H new ATOM 0 HB3 ALA A 92 21.017 -11.658 85.393 1.00 0.00 H new ATOM 1429 N ASP A 93 23.593 -11.480 83.025 1.00 0.00 N ATOM 1430 CA ASP A 93 24.880 -10.705 82.974 1.00 0.00 C ATOM 1431 C ASP A 93 24.791 -9.514 83.928 1.00 0.00 C ATOM 1432 O ASP A 93 24.760 -9.662 85.131 1.00 0.00 O ATOM 1433 CB ASP A 93 25.144 -10.201 81.545 1.00 0.00 C ATOM 1434 CG ASP A 93 26.472 -9.445 81.514 1.00 0.00 C ATOM 1435 OD1 ASP A 93 27.450 -9.991 81.990 1.00 0.00 O ATOM 1436 OD2 ASP A 93 26.482 -8.332 81.014 1.00 0.00 O ATOM 0 H ASP A 93 23.699 -12.492 82.952 1.00 0.00 H new ATOM 0 HA ASP A 93 25.700 -11.358 83.273 1.00 0.00 H new ATOM 0 HB2 ASP A 93 25.174 -11.041 80.851 1.00 0.00 H new ATOM 0 HB3 ASP A 93 24.333 -9.548 81.221 1.00 0.00 H new ATOM 1441 N LYS A 94 24.725 -8.326 83.393 1.00 0.00 N ATOM 1442 CA LYS A 94 24.620 -7.141 84.268 1.00 0.00 C ATOM 1443 C LYS A 94 24.129 -5.930 83.457 1.00 0.00 C ATOM 1444 O LYS A 94 23.179 -5.264 83.818 1.00 0.00 O ATOM 1445 CB LYS A 94 25.992 -6.856 84.840 1.00 0.00 C ATOM 1446 CG LYS A 94 25.887 -5.762 85.917 1.00 0.00 C ATOM 1447 CD LYS A 94 27.167 -4.923 85.933 1.00 0.00 C ATOM 1448 CE LYS A 94 27.047 -3.828 84.884 1.00 0.00 C ATOM 1449 NZ LYS A 94 28.353 -3.151 84.730 1.00 0.00 N ATOM 0 H LYS A 94 24.740 -8.132 82.392 1.00 0.00 H new ATOM 0 HA LYS A 94 23.907 -7.329 85.071 1.00 0.00 H new ATOM 0 HB2 LYS A 94 26.413 -7.765 85.270 1.00 0.00 H new ATOM 0 HB3 LYS A 94 26.668 -6.536 84.047 1.00 0.00 H new ATOM 0 HG2 LYS A 94 25.026 -5.124 85.717 1.00 0.00 H new ATOM 0 HG3 LYS A 94 25.727 -6.216 86.895 1.00 0.00 H new ATOM 0 HD2 LYS A 94 27.320 -4.486 86.920 1.00 0.00 H new ATOM 0 HD3 LYS A 94 28.033 -5.551 85.726 1.00 0.00 H new ATOM 0 HE2 LYS A 94 26.731 -4.254 83.932 1.00 0.00 H new ATOM 0 HE3 LYS A 94 26.284 -3.108 85.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 28.273 -2.402 84.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 28.636 -2.732 85.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 29.069 -3.843 84.430 1.00 0.00 H new ATOM 1463 N THR A 95 24.777 -5.647 82.350 1.00 0.00 N ATOM 1464 CA THR A 95 24.378 -4.487 81.495 1.00 0.00 C ATOM 1465 C THR A 95 24.063 -5.053 80.134 1.00 0.00 C ATOM 1466 O THR A 95 24.452 -4.520 79.114 1.00 0.00 O ATOM 1467 CB THR A 95 25.542 -3.475 81.371 1.00 0.00 C ATOM 1468 OG1 THR A 95 26.762 -4.190 81.396 1.00 0.00 O ATOM 1469 CG2 THR A 95 25.508 -2.477 82.531 1.00 0.00 C ATOM 0 H THR A 95 25.575 -6.178 82.001 1.00 0.00 H new ATOM 0 HA THR A 95 23.525 -3.964 81.928 1.00 0.00 H new ATOM 0 HB THR A 95 25.446 -2.921 80.437 1.00 0.00 H new ATOM 0 HG1 THR A 95 27.511 -3.563 81.317 1.00 0.00 H new ATOM 0 HG21 THR A 95 26.333 -1.772 82.429 1.00 0.00 H new ATOM 0 HG22 THR A 95 24.563 -1.934 82.516 1.00 0.00 H new ATOM 0 HG23 THR A 95 25.604 -3.013 83.475 1.00 0.00 H new ATOM 1477 N VAL A 96 23.377 -6.140 80.116 1.00 0.00 N ATOM 1478 CA VAL A 96 23.051 -6.756 78.816 1.00 0.00 C ATOM 1479 C VAL A 96 21.958 -5.906 78.173 1.00 0.00 C ATOM 1480 O VAL A 96 21.500 -6.189 77.088 1.00 0.00 O ATOM 1481 CB VAL A 96 22.601 -8.220 79.059 1.00 0.00 C ATOM 1482 CG1 VAL A 96 21.364 -8.604 78.230 1.00 0.00 C ATOM 1483 CG2 VAL A 96 23.730 -9.189 78.699 1.00 0.00 C ATOM 0 H VAL A 96 23.027 -6.631 80.939 1.00 0.00 H new ATOM 0 HA VAL A 96 23.908 -6.789 78.143 1.00 0.00 H new ATOM 0 HB VAL A 96 22.347 -8.290 80.117 1.00 0.00 H new ATOM 0 HG11 VAL A 96 21.093 -9.639 78.439 1.00 0.00 H new ATOM 0 HG12 VAL A 96 20.532 -7.951 78.493 1.00 0.00 H new ATOM 0 HG13 VAL A 96 21.589 -8.495 77.169 1.00 0.00 H new ATOM 0 HG21 VAL A 96 23.400 -10.213 78.874 1.00 0.00 H new ATOM 0 HG22 VAL A 96 23.993 -9.067 77.648 1.00 0.00 H new ATOM 0 HG23 VAL A 96 24.602 -8.978 79.318 1.00 0.00 H new ATOM 1493 N LYS A 97 21.515 -4.838 78.798 1.00 0.00 N ATOM 1494 CA LYS A 97 20.449 -4.032 78.114 1.00 0.00 C ATOM 1495 C LYS A 97 20.244 -2.628 78.739 1.00 0.00 C ATOM 1496 O LYS A 97 19.513 -1.815 78.187 1.00 0.00 O ATOM 1497 CB LYS A 97 19.123 -4.847 78.105 1.00 0.00 C ATOM 1498 CG LYS A 97 18.515 -4.954 76.674 1.00 0.00 C ATOM 1499 CD LYS A 97 17.705 -6.269 76.523 1.00 0.00 C ATOM 1500 CE LYS A 97 18.591 -7.374 75.928 1.00 0.00 C ATOM 1501 NZ LYS A 97 18.866 -7.066 74.498 1.00 0.00 N ATOM 0 H LYS A 97 21.827 -4.500 79.709 1.00 0.00 H new ATOM 0 HA LYS A 97 20.778 -3.846 77.091 1.00 0.00 H new ATOM 0 HB2 LYS A 97 19.309 -5.847 78.496 1.00 0.00 H new ATOM 0 HB3 LYS A 97 18.402 -4.374 78.771 1.00 0.00 H new ATOM 0 HG2 LYS A 97 17.868 -4.098 76.483 1.00 0.00 H new ATOM 0 HG3 LYS A 97 19.312 -4.924 75.931 1.00 0.00 H new ATOM 0 HD2 LYS A 97 17.323 -6.583 77.495 1.00 0.00 H new ATOM 0 HD3 LYS A 97 16.841 -6.100 75.880 1.00 0.00 H new ATOM 0 HE2 LYS A 97 19.526 -7.445 76.483 1.00 0.00 H new ATOM 0 HE3 LYS A 97 18.095 -8.341 76.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 19.044 -7.950 73.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 18.045 -6.581 74.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 19.702 -6.451 74.430 1.00 0.00 H new ATOM 1515 N GLY A 98 20.861 -2.301 79.835 1.00 0.00 N ATOM 1516 CA GLY A 98 20.642 -0.940 80.379 1.00 0.00 C ATOM 1517 C GLY A 98 21.407 0.047 79.488 1.00 0.00 C ATOM 1518 O GLY A 98 22.240 -0.358 78.700 1.00 0.00 O ATOM 0 H GLY A 98 21.492 -2.901 80.366 1.00 0.00 H new ATOM 0 HA2 GLY A 98 19.579 -0.699 80.391 1.00 0.00 H new ATOM 0 HA3 GLY A 98 20.995 -0.878 81.409 1.00 0.00 H new ATOM 1522 N PRO A 99 21.125 1.323 79.630 1.00 0.00 N ATOM 1523 CA PRO A 99 21.806 2.355 78.813 1.00 0.00 C ATOM 1524 C PRO A 99 23.302 2.069 78.786 1.00 0.00 C ATOM 1525 O PRO A 99 23.847 1.616 77.800 1.00 0.00 O ATOM 1526 CB PRO A 99 21.477 3.684 79.533 1.00 0.00 C ATOM 1527 CG PRO A 99 20.427 3.370 80.638 1.00 0.00 C ATOM 1528 CD PRO A 99 20.142 1.848 80.595 1.00 0.00 C ATOM 0 HA PRO A 99 21.483 2.381 77.772 1.00 0.00 H new ATOM 0 HB2 PRO A 99 22.377 4.116 79.971 1.00 0.00 H new ATOM 0 HB3 PRO A 99 21.084 4.415 78.827 1.00 0.00 H new ATOM 0 HG2 PRO A 99 20.804 3.661 81.618 1.00 0.00 H new ATOM 0 HG3 PRO A 99 19.511 3.936 80.468 1.00 0.00 H new ATOM 0 HD2 PRO A 99 20.265 1.392 81.577 1.00 0.00 H new ATOM 0 HD3 PRO A 99 19.121 1.643 80.274 1.00 0.00 H new ATOM 1536 N ASP A 100 23.954 2.326 79.867 1.00 0.00 N ATOM 1537 CA ASP A 100 25.409 2.064 79.911 1.00 0.00 C ATOM 1538 C ASP A 100 25.809 1.778 81.351 1.00 0.00 C ATOM 1539 O ASP A 100 25.274 0.906 82.008 1.00 0.00 O ATOM 1540 CB ASP A 100 26.152 3.299 79.406 1.00 0.00 C ATOM 1541 CG ASP A 100 27.647 3.003 79.301 1.00 0.00 C ATOM 1542 OD1 ASP A 100 28.052 2.425 78.309 1.00 0.00 O ATOM 1543 OD2 ASP A 100 28.368 3.366 80.203 1.00 0.00 O ATOM 0 H ASP A 100 23.548 2.705 80.723 1.00 0.00 H new ATOM 0 HA ASP A 100 25.660 1.209 79.283 1.00 0.00 H new ATOM 0 HB2 ASP A 100 25.762 3.595 78.432 1.00 0.00 H new ATOM 0 HB3 ASP A 100 25.985 4.136 80.084 1.00 0.00 H new ATOM 1548 N GLY A 101 26.745 2.514 81.852 1.00 0.00 N ATOM 1549 CA GLY A 101 27.201 2.312 83.241 1.00 0.00 C ATOM 1550 C GLY A 101 26.053 2.542 84.208 1.00 0.00 C ATOM 1551 O GLY A 101 26.230 2.434 85.413 1.00 0.00 O ATOM 0 H GLY A 101 27.223 3.261 81.348 1.00 0.00 H new ATOM 0 HA2 GLY A 101 27.590 1.301 83.360 1.00 0.00 H new ATOM 0 HA3 GLY A 101 28.019 2.997 83.466 1.00 0.00 H new ATOM 1555 N LEU A 102 24.858 2.830 83.726 1.00 0.00 N ATOM 1556 CA LEU A 102 23.732 3.040 84.663 1.00 0.00 C ATOM 1557 C LEU A 102 23.731 1.935 85.633 1.00 0.00 C ATOM 1558 O LEU A 102 24.048 2.152 86.781 1.00 0.00 O ATOM 1559 CB LEU A 102 22.387 3.084 83.915 1.00 0.00 C ATOM 1560 CG LEU A 102 21.204 3.500 84.846 1.00 0.00 C ATOM 1561 CD1 LEU A 102 19.885 3.508 84.077 1.00 0.00 C ATOM 1562 CD2 LEU A 102 21.057 2.569 86.067 1.00 0.00 C ATOM 0 H LEU A 102 24.630 2.924 82.736 1.00 0.00 H new ATOM 0 HA LEU A 102 23.857 3.996 85.171 1.00 0.00 H new ATOM 0 HB2 LEU A 102 22.458 3.787 83.085 1.00 0.00 H new ATOM 0 HB3 LEU A 102 22.181 2.104 83.485 1.00 0.00 H new ATOM 0 HG LEU A 102 21.438 4.503 85.203 1.00 0.00 H new ATOM 0 HD11 LEU A 102 19.076 3.801 84.746 1.00 0.00 H new ATOM 0 HD12 LEU A 102 19.949 4.218 83.252 1.00 0.00 H new ATOM 0 HD13 LEU A 102 19.688 2.511 83.683 1.00 0.00 H new ATOM 0 HD21 LEU A 102 20.220 2.903 86.681 1.00 0.00 H new ATOM 0 HD22 LEU A 102 20.874 1.550 85.727 1.00 0.00 H new ATOM 0 HD23 LEU A 102 21.973 2.595 86.657 1.00 0.00 H new ATOM 1574 N THR A 103 23.316 0.775 85.204 1.00 0.00 N ATOM 1575 CA THR A 103 23.205 -0.369 86.145 1.00 0.00 C ATOM 1576 C THR A 103 23.054 0.207 87.533 1.00 0.00 C ATOM 1577 O THR A 103 22.087 0.871 87.859 1.00 0.00 O ATOM 1578 CB THR A 103 24.444 -1.250 86.046 1.00 0.00 C ATOM 1579 OG1 THR A 103 24.578 -2.000 87.248 1.00 0.00 O ATOM 1580 CG2 THR A 103 25.676 -0.383 85.827 1.00 0.00 C ATOM 0 H THR A 103 23.049 0.572 84.241 1.00 0.00 H new ATOM 0 HA THR A 103 22.345 -0.994 85.904 1.00 0.00 H new ATOM 0 HB THR A 103 24.345 -1.934 85.203 1.00 0.00 H new ATOM 0 HG1 THR A 103 25.373 -2.571 87.191 1.00 0.00 H new ATOM 0 HG21 THR A 103 26.560 -1.017 85.757 1.00 0.00 H new ATOM 0 HG22 THR A 103 25.562 0.184 84.903 1.00 0.00 H new ATOM 0 HG23 THR A 103 25.790 0.306 86.664 1.00 0.00 H new ATOM 1588 N ALA A 104 24.011 0.032 88.328 1.00 0.00 N ATOM 1589 CA ALA A 104 23.937 0.592 89.687 1.00 0.00 C ATOM 1590 C ALA A 104 24.574 1.987 89.797 1.00 0.00 C ATOM 1591 O ALA A 104 24.231 2.759 90.672 1.00 0.00 O ATOM 1592 CB ALA A 104 24.667 -0.355 90.576 1.00 0.00 C ATOM 0 H ALA A 104 24.866 -0.481 88.112 1.00 0.00 H new ATOM 0 HA ALA A 104 22.890 0.711 89.967 1.00 0.00 H new ATOM 0 HB1 ALA A 104 24.642 0.015 91.601 1.00 0.00 H new ATOM 0 HB2 ALA A 104 24.191 -1.335 90.533 1.00 0.00 H new ATOM 0 HB3 ALA A 104 25.702 -0.439 90.246 1.00 0.00 H new ATOM 1598 N LEU A 105 25.529 2.282 88.980 1.00 0.00 N ATOM 1599 CA LEU A 105 26.210 3.583 89.108 1.00 0.00 C ATOM 1600 C LEU A 105 25.228 4.734 89.116 1.00 0.00 C ATOM 1601 O LEU A 105 25.172 5.498 90.062 1.00 0.00 O ATOM 1602 CB LEU A 105 27.151 3.798 87.932 1.00 0.00 C ATOM 1603 CG LEU A 105 27.982 2.563 87.666 1.00 0.00 C ATOM 1604 CD1 LEU A 105 29.011 2.898 86.599 1.00 0.00 C ATOM 1605 CD2 LEU A 105 28.671 2.124 88.946 1.00 0.00 C ATOM 0 H LEU A 105 25.868 1.680 88.230 1.00 0.00 H new ATOM 0 HA LEU A 105 26.754 3.562 90.052 1.00 0.00 H new ATOM 0 HB2 LEU A 105 26.574 4.050 87.042 1.00 0.00 H new ATOM 0 HB3 LEU A 105 27.807 4.644 88.137 1.00 0.00 H new ATOM 0 HG LEU A 105 27.348 1.747 87.320 1.00 0.00 H new ATOM 0 HD11 LEU A 105 29.621 2.019 86.393 1.00 0.00 H new ATOM 0 HD12 LEU A 105 28.501 3.208 85.687 1.00 0.00 H new ATOM 0 HD13 LEU A 105 29.650 3.708 86.951 1.00 0.00 H new ATOM 0 HD21 LEU A 105 29.269 1.234 88.751 1.00 0.00 H new ATOM 0 HD22 LEU A 105 29.318 2.925 89.304 1.00 0.00 H new ATOM 0 HD23 LEU A 105 27.921 1.898 89.704 1.00 0.00 H new ATOM 1617 N GLU A 106 24.505 4.925 88.048 1.00 0.00 N ATOM 1618 CA GLU A 106 23.603 6.090 87.998 1.00 0.00 C ATOM 1619 C GLU A 106 22.284 5.772 88.693 1.00 0.00 C ATOM 1620 O GLU A 106 21.435 6.627 88.852 1.00 0.00 O ATOM 1621 CB GLU A 106 23.333 6.468 86.540 1.00 0.00 C ATOM 1622 CG GLU A 106 24.654 6.654 85.795 1.00 0.00 C ATOM 1623 CD GLU A 106 25.474 7.768 86.453 1.00 0.00 C ATOM 1624 OE1 GLU A 106 25.198 8.923 86.159 1.00 0.00 O ATOM 1625 OE2 GLU A 106 26.362 7.456 87.224 1.00 0.00 O ATOM 0 H GLU A 106 24.504 4.328 87.221 1.00 0.00 H new ATOM 0 HA GLU A 106 24.080 6.924 88.512 1.00 0.00 H new ATOM 0 HB2 GLU A 106 22.741 5.690 86.058 1.00 0.00 H new ATOM 0 HB3 GLU A 106 22.749 7.387 86.496 1.00 0.00 H new ATOM 0 HG2 GLU A 106 25.219 5.722 85.802 1.00 0.00 H new ATOM 0 HG3 GLU A 106 24.461 6.901 84.751 1.00 0.00 H new ATOM 1632 N ALA A 107 22.088 4.549 89.084 1.00 0.00 N ATOM 1633 CA ALA A 107 20.796 4.197 89.737 1.00 0.00 C ATOM 1634 C ALA A 107 20.740 4.615 91.215 1.00 0.00 C ATOM 1635 O ALA A 107 19.691 4.968 91.709 1.00 0.00 O ATOM 1636 CB ALA A 107 20.613 2.684 89.714 1.00 0.00 C ATOM 0 H ALA A 107 22.755 3.784 88.983 1.00 0.00 H new ATOM 0 HA ALA A 107 20.021 4.726 89.183 1.00 0.00 H new ATOM 0 HB1 ALA A 107 19.668 2.424 90.191 1.00 0.00 H new ATOM 0 HB2 ALA A 107 20.606 2.334 88.682 1.00 0.00 H new ATOM 0 HB3 ALA A 107 21.434 2.210 90.252 1.00 0.00 H new ATOM 1642 N THR A 108 21.806 4.470 91.950 1.00 0.00 N ATOM 1643 CA THR A 108 21.699 4.750 93.408 1.00 0.00 C ATOM 1644 C THR A 108 23.030 5.091 94.074 1.00 0.00 C ATOM 1645 O THR A 108 23.989 5.539 93.462 1.00 0.00 O ATOM 1646 CB THR A 108 21.214 3.441 94.007 1.00 0.00 C ATOM 1647 OG1 THR A 108 21.045 3.583 95.409 1.00 0.00 O ATOM 1648 CG2 THR A 108 22.258 2.338 93.704 1.00 0.00 C ATOM 0 H THR A 108 22.724 4.178 91.616 1.00 0.00 H new ATOM 0 HA THR A 108 21.049 5.611 93.563 1.00 0.00 H new ATOM 0 HB THR A 108 20.254 3.167 93.570 1.00 0.00 H new ATOM 0 HG1 THR A 108 20.159 3.253 95.667 1.00 0.00 H new ATOM 0 HG21 THR A 108 21.922 1.392 94.129 1.00 0.00 H new ATOM 0 HG22 THR A 108 22.372 2.231 92.625 1.00 0.00 H new ATOM 0 HG23 THR A 108 23.216 2.613 94.144 1.00 0.00 H new ATOM 1656 N ASP A 109 23.065 4.834 95.349 1.00 0.00 N ATOM 1657 CA ASP A 109 24.261 5.053 96.200 1.00 0.00 C ATOM 1658 C ASP A 109 24.228 4.034 97.330 1.00 0.00 C ATOM 1659 O ASP A 109 25.125 3.970 98.134 1.00 0.00 O ATOM 1660 CB ASP A 109 24.236 6.468 96.781 1.00 0.00 C ATOM 1661 CG ASP A 109 25.606 6.810 97.364 1.00 0.00 C ATOM 1662 OD1 ASP A 109 25.844 6.472 98.510 1.00 0.00 O ATOM 1663 OD2 ASP A 109 26.405 7.396 96.649 1.00 0.00 O ATOM 0 H ASP A 109 22.266 4.460 95.861 1.00 0.00 H new ATOM 0 HA ASP A 109 25.170 4.937 95.609 1.00 0.00 H new ATOM 0 HB2 ASP A 109 23.971 7.186 96.004 1.00 0.00 H new ATOM 0 HB3 ASP A 109 23.472 6.540 97.555 1.00 0.00 H new ATOM 1668 N ASN A 110 23.211 3.210 97.382 1.00 0.00 N ATOM 1669 CA ASN A 110 23.175 2.172 98.455 1.00 0.00 C ATOM 1670 C ASN A 110 24.110 1.061 97.984 1.00 0.00 C ATOM 1671 O ASN A 110 24.298 0.877 96.795 1.00 0.00 O ATOM 1672 CB ASN A 110 21.746 1.667 98.667 1.00 0.00 C ATOM 1673 CG ASN A 110 21.145 1.362 97.322 1.00 0.00 C ATOM 1674 OD1 ASN A 110 21.923 1.335 96.280 1.00 0.00 O flip ATOM 1675 ND2 ASN A 110 19.960 1.156 97.204 1.00 0.00 N flip ATOM 0 H ASN A 110 22.418 3.210 96.740 1.00 0.00 H new ATOM 0 HA ASN A 110 23.497 2.565 99.419 1.00 0.00 H new ATOM 0 HB2 ASN A 110 21.748 0.774 99.292 1.00 0.00 H new ATOM 0 HB3 ASN A 110 21.151 2.419 99.186 1.00 0.00 H new ATOM 0 HD21 ASN A 110 19.354 1.178 98.024 1.00 0.00 H new ATOM 0 HD22 ASN A 110 19.566 0.960 96.284 1.00 0.00 H new ATOM 1682 N GLN A 111 24.778 0.389 98.860 1.00 0.00 N ATOM 1683 CA GLN A 111 25.783 -0.627 98.413 1.00 0.00 C ATOM 1684 C GLN A 111 25.164 -2.023 98.166 1.00 0.00 C ATOM 1685 O GLN A 111 25.875 -2.981 97.934 1.00 0.00 O ATOM 1686 CB GLN A 111 26.899 -0.652 99.469 1.00 0.00 C ATOM 1687 CG GLN A 111 27.836 -1.854 99.262 1.00 0.00 C ATOM 1688 CD GLN A 111 29.181 -1.595 99.947 1.00 0.00 C ATOM 1689 OE1 GLN A 111 30.225 -1.888 99.388 1.00 0.00 O ATOM 1690 NE2 GLN A 111 29.199 -1.039 101.132 1.00 0.00 N ATOM 0 H GLN A 111 24.681 0.490 99.870 1.00 0.00 H new ATOM 0 HA GLN A 111 26.189 -0.345 97.442 1.00 0.00 H new ATOM 0 HB2 GLN A 111 27.473 0.273 99.417 1.00 0.00 H new ATOM 0 HB3 GLN A 111 26.459 -0.698 100.465 1.00 0.00 H new ATOM 0 HG2 GLN A 111 27.379 -2.756 99.669 1.00 0.00 H new ATOM 0 HG3 GLN A 111 27.989 -2.027 98.197 1.00 0.00 H new ATOM 0 HE21 GLN A 111 28.323 -0.796 101.595 1.00 0.00 H new ATOM 0 HE22 GLN A 111 30.089 -0.849 101.593 1.00 0.00 H new ATOM 1699 N ALA A 112 23.865 -2.166 98.181 1.00 0.00 N ATOM 1700 CA ALA A 112 23.261 -3.511 97.909 1.00 0.00 C ATOM 1701 C ALA A 112 23.156 -3.702 96.399 1.00 0.00 C ATOM 1702 O ALA A 112 23.399 -4.776 95.841 1.00 0.00 O ATOM 1703 CB ALA A 112 21.860 -3.576 98.528 1.00 0.00 C ATOM 0 H ALA A 112 23.197 -1.418 98.368 1.00 0.00 H new ATOM 0 HA ALA A 112 23.883 -4.294 98.343 1.00 0.00 H new ATOM 0 HB1 ALA A 112 21.420 -4.554 98.331 1.00 0.00 H new ATOM 0 HB2 ALA A 112 21.930 -3.420 99.605 1.00 0.00 H new ATOM 0 HB3 ALA A 112 21.232 -2.800 98.089 1.00 0.00 H new ATOM 1709 N ILE A 113 22.812 -2.664 95.749 1.00 0.00 N ATOM 1710 CA ILE A 113 22.673 -2.700 94.276 1.00 0.00 C ATOM 1711 C ILE A 113 24.057 -2.763 93.725 1.00 0.00 C ATOM 1712 O ILE A 113 24.392 -3.584 92.899 1.00 0.00 O ATOM 1713 CB ILE A 113 22.042 -1.400 93.789 1.00 0.00 C ATOM 1714 CG1 ILE A 113 20.592 -1.246 94.300 1.00 0.00 C ATOM 1715 CG2 ILE A 113 22.025 -1.367 92.244 1.00 0.00 C ATOM 1716 CD1 ILE A 113 20.477 -1.447 95.802 1.00 0.00 C ATOM 0 H ILE A 113 22.612 -1.759 96.175 1.00 0.00 H new ATOM 0 HA ILE A 113 22.057 -3.544 93.966 1.00 0.00 H new ATOM 0 HB ILE A 113 22.643 -0.579 94.181 1.00 0.00 H new ATOM 0 HG12 ILE A 113 20.223 -0.254 94.041 1.00 0.00 H new ATOM 0 HG13 ILE A 113 19.953 -1.967 93.791 1.00 0.00 H new ATOM 0 HG21 ILE A 113 21.573 -0.435 91.905 1.00 0.00 H new ATOM 0 HG22 ILE A 113 23.046 -1.433 91.867 1.00 0.00 H new ATOM 0 HG23 ILE A 113 21.445 -2.210 91.868 1.00 0.00 H new ATOM 0 HD11 ILE A 113 19.437 -1.328 96.107 1.00 0.00 H new ATOM 0 HD12 ILE A 113 20.818 -2.449 96.062 1.00 0.00 H new ATOM 0 HD13 ILE A 113 21.093 -0.709 96.316 1.00 0.00 H new ATOM 1728 N LYS A 114 24.870 -1.872 94.190 1.00 0.00 N ATOM 1729 CA LYS A 114 26.252 -1.817 93.741 1.00 0.00 C ATOM 1730 C LYS A 114 26.837 -3.221 93.858 1.00 0.00 C ATOM 1731 O LYS A 114 27.814 -3.562 93.223 1.00 0.00 O ATOM 1732 CB LYS A 114 27.017 -0.828 94.612 1.00 0.00 C ATOM 1733 CG LYS A 114 26.294 0.547 94.622 1.00 0.00 C ATOM 1734 CD LYS A 114 26.592 1.353 93.330 1.00 0.00 C ATOM 1735 CE LYS A 114 26.690 2.851 93.631 1.00 0.00 C ATOM 1736 NZ LYS A 114 28.099 3.177 94.011 1.00 0.00 N ATOM 0 H LYS A 114 24.616 -1.166 94.881 1.00 0.00 H new ATOM 0 HA LYS A 114 26.322 -1.483 92.706 1.00 0.00 H new ATOM 0 HB2 LYS A 114 27.096 -1.213 95.629 1.00 0.00 H new ATOM 0 HB3 LYS A 114 28.033 -0.710 94.235 1.00 0.00 H new ATOM 0 HG2 LYS A 114 25.219 0.394 94.717 1.00 0.00 H new ATOM 0 HG3 LYS A 114 26.612 1.121 95.492 1.00 0.00 H new ATOM 0 HD2 LYS A 114 27.525 1.005 92.887 1.00 0.00 H new ATOM 0 HD3 LYS A 114 25.805 1.176 92.597 1.00 0.00 H new ATOM 0 HE2 LYS A 114 26.391 3.431 92.758 1.00 0.00 H new ATOM 0 HE3 LYS A 114 26.010 3.118 94.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 28.177 4.193 94.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 28.366 2.631 94.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 28.736 2.934 93.225 1.00 0.00 H new ATOM 1750 N ALA A 115 26.185 -4.065 94.631 1.00 0.00 N ATOM 1751 CA ALA A 115 26.642 -5.455 94.752 1.00 0.00 C ATOM 1752 C ALA A 115 26.588 -6.041 93.354 1.00 0.00 C ATOM 1753 O ALA A 115 27.471 -6.757 92.948 1.00 0.00 O ATOM 1754 CB ALA A 115 25.718 -6.234 95.694 1.00 0.00 C ATOM 0 H ALA A 115 25.356 -3.832 95.177 1.00 0.00 H new ATOM 0 HA ALA A 115 27.649 -5.510 95.165 1.00 0.00 H new ATOM 0 HB1 ALA A 115 26.066 -7.264 95.776 1.00 0.00 H new ATOM 0 HB2 ALA A 115 25.727 -5.768 96.679 1.00 0.00 H new ATOM 0 HB3 ALA A 115 24.703 -6.225 95.297 1.00 0.00 H new ATOM 1760 N LEU A 116 25.561 -5.720 92.586 1.00 0.00 N ATOM 1761 CA LEU A 116 25.532 -6.255 91.195 1.00 0.00 C ATOM 1762 C LEU A 116 26.612 -5.586 90.376 1.00 0.00 C ATOM 1763 O LEU A 116 26.871 -5.970 89.257 1.00 0.00 O ATOM 1764 CB LEU A 116 24.148 -6.045 90.532 1.00 0.00 C ATOM 1765 CG LEU A 116 23.255 -7.308 90.611 1.00 0.00 C ATOM 1766 CD1 LEU A 116 22.031 -7.085 89.726 1.00 0.00 C ATOM 1767 CD2 LEU A 116 24.014 -8.563 90.104 1.00 0.00 C ATOM 0 H LEU A 116 24.773 -5.132 92.858 1.00 0.00 H new ATOM 0 HA LEU A 116 25.715 -7.329 91.237 1.00 0.00 H new ATOM 0 HB2 LEU A 116 23.639 -5.213 91.018 1.00 0.00 H new ATOM 0 HB3 LEU A 116 24.288 -5.767 89.487 1.00 0.00 H new ATOM 0 HG LEU A 116 22.969 -7.474 91.650 1.00 0.00 H new ATOM 0 HD11 LEU A 116 21.387 -7.964 89.767 1.00 0.00 H new ATOM 0 HD12 LEU A 116 21.479 -6.214 90.081 1.00 0.00 H new ATOM 0 HD13 LEU A 116 22.351 -6.917 88.698 1.00 0.00 H new ATOM 0 HD21 LEU A 116 23.362 -9.434 90.171 1.00 0.00 H new ATOM 0 HD22 LEU A 116 24.313 -8.413 89.067 1.00 0.00 H new ATOM 0 HD23 LEU A 116 24.900 -8.725 90.718 1.00 0.00 H new ATOM 1779 N LEU A 117 27.265 -4.610 90.917 1.00 0.00 N ATOM 1780 CA LEU A 117 28.348 -3.944 90.149 1.00 0.00 C ATOM 1781 C LEU A 117 29.581 -4.810 90.295 1.00 0.00 C ATOM 1782 O LEU A 117 30.630 -4.560 89.735 1.00 0.00 O ATOM 1783 CB LEU A 117 28.601 -2.545 90.736 1.00 0.00 C ATOM 1784 CG LEU A 117 28.924 -1.537 89.627 1.00 0.00 C ATOM 1785 CD1 LEU A 117 30.164 -2.009 88.859 1.00 0.00 C ATOM 1786 CD2 LEU A 117 27.704 -1.388 88.678 1.00 0.00 C ATOM 0 H LEU A 117 27.101 -4.242 91.854 1.00 0.00 H new ATOM 0 HA LEU A 117 28.084 -3.827 89.098 1.00 0.00 H new ATOM 0 HB2 LEU A 117 27.722 -2.214 91.289 1.00 0.00 H new ATOM 0 HB3 LEU A 117 29.427 -2.588 91.446 1.00 0.00 H new ATOM 0 HG LEU A 117 29.135 -0.561 90.064 1.00 0.00 H new ATOM 0 HD11 LEU A 117 30.397 -1.295 88.069 1.00 0.00 H new ATOM 0 HD12 LEU A 117 31.010 -2.082 89.543 1.00 0.00 H new ATOM 0 HD13 LEU A 117 29.969 -2.986 88.418 1.00 0.00 H new ATOM 0 HD21 LEU A 117 27.940 -0.670 87.892 1.00 0.00 H new ATOM 0 HD22 LEU A 117 27.472 -2.354 88.230 1.00 0.00 H new ATOM 0 HD23 LEU A 117 26.843 -1.035 89.245 1.00 0.00 H new ATOM 1798 N GLN A 118 29.434 -5.845 91.049 1.00 0.00 N ATOM 1799 CA GLN A 118 30.552 -6.771 91.263 1.00 0.00 C ATOM 1800 C GLN A 118 30.835 -7.503 89.942 1.00 0.00 C ATOM 1801 O GLN A 118 29.942 -7.552 89.105 1.00 0.00 O ATOM 1802 CB GLN A 118 30.179 -7.777 92.377 1.00 0.00 C ATOM 1803 CG GLN A 118 29.203 -8.844 91.836 1.00 0.00 C ATOM 1804 CD GLN A 118 29.985 -9.995 91.216 1.00 0.00 C ATOM 1805 OE1 GLN A 118 31.183 -9.915 91.049 1.00 0.00 O ATOM 1806 NE2 GLN A 118 29.359 -11.079 90.863 1.00 0.00 N ATOM 1807 OXT GLN A 118 31.938 -7.992 89.786 1.00 0.00 O ATOM 0 H GLN A 118 28.571 -6.091 91.534 1.00 0.00 H new ATOM 0 HA GLN A 118 31.446 -6.230 91.574 1.00 0.00 H new ATOM 0 HB2 GLN A 118 31.080 -8.259 92.757 1.00 0.00 H new ATOM 0 HB3 GLN A 118 29.723 -7.249 93.214 1.00 0.00 H new ATOM 0 HG2 GLN A 118 28.572 -9.215 92.644 1.00 0.00 H new ATOM 0 HG3 GLN A 118 28.541 -8.400 91.092 1.00 0.00 H new ATOM 0 HE21 GLN A 118 28.351 -11.154 91.000 1.00 0.00 H new ATOM 0 HE22 GLN A 118 29.876 -11.855 90.449 1.00 0.00 H new