USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 653 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 15 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.806) USER MOD Set 1.2: A 85 SER OG : rot 180:sc= -0.227 USER MOD Set 2.1: A 34 THR OG1 : rot 150:sc= 1.43 USER MOD Set 2.2: A 57 GLN :FLIP amide:sc= -0.702 F(o=-0.12,f=0.73) USER MOD Single : A 13 LYS NZ :NH3+ 165:sc= 0.358 (180deg=0.00687) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 SER OG : rot -37:sc= 1.03 USER MOD Single : A 39 ASN :FLIP amide:sc= -0.3 F(o=-2.7!,f=-0.3) USER MOD Single : A 40 MET CE :methyl -157:sc= -2.01 (180deg=-3.2!) USER MOD Single : A 41 MET CE :methyl 146:sc= -0.198 (180deg=-1.26) USER MOD Single : A 42 HIS :FLIP no HD1:sc= -0.378 F(o=-1,f=-0.38) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -12:sc= -1.49 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN :FLIP amide:sc= -3.9! C(o=-6.4!,f=-3.9!) USER MOD Single : A 59 MET CE :methyl 164:sc= -1.96 (180deg=-2.49!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -5.36! C(o=-5.4!,f=-14!) USER MOD Single : A 64 THR OG1 : rot 85:sc= 0.0177 USER MOD Single : A 65 SER OG : rot 180:sc=4.16e-05 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.873 USER MOD Single : A 74 CYS SG : rot 71:sc= -0.135 USER MOD Single : A 75 GLN : amide:sc= -0.0581 K(o=-0.058,f=-0.7) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN :FLIP amide:sc= 0.46 F(o=-0.71,f=0.46) USER MOD Single : A 84 GLN : amide:sc= -0.143 K(o=-0.14,f=-1.7!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN :FLIP amide:sc= -0.0422 F(o=-4.3!,f=-0.042) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -8.538 1.062 -10.752 1.00 0.00 N ATOM 60 CA GLY A 7 -7.557 0.552 -11.692 1.00 0.00 C ATOM 61 C GLY A 7 -6.133 0.767 -11.217 1.00 0.00 C ATOM 62 O GLY A 7 -5.879 0.861 -10.016 1.00 0.00 O ATOM 0 HA2 GLY A 7 -7.728 -0.513 -11.849 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.693 1.042 -12.656 1.00 0.00 H new ATOM 66 N ASP A 8 -5.202 0.845 -12.161 1.00 0.00 N ATOM 67 CA ASP A 8 -3.796 1.050 -11.834 1.00 0.00 C ATOM 68 C ASP A 8 -3.587 2.400 -11.154 1.00 0.00 C ATOM 69 O ASP A 8 -3.939 3.444 -11.704 1.00 0.00 O ATOM 70 CB ASP A 8 -2.938 0.962 -13.097 1.00 0.00 C ATOM 71 CG ASP A 8 -3.491 -0.024 -14.106 1.00 0.00 C ATOM 72 OD1 ASP A 8 -3.395 -1.244 -13.857 1.00 0.00 O ATOM 73 OD2 ASP A 8 -4.020 0.423 -15.145 1.00 0.00 O ATOM 0 H ASP A 8 -5.396 0.769 -13.160 1.00 0.00 H new ATOM 0 HA ASP A 8 -3.491 0.265 -11.142 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -2.871 1.948 -13.556 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.924 0.668 -12.824 1.00 0.00 H new ATOM 78 N VAL A 9 -3.014 2.371 -9.955 1.00 0.00 N ATOM 79 CA VAL A 9 -2.759 3.592 -9.201 1.00 0.00 C ATOM 80 C VAL A 9 -1.264 3.809 -8.996 1.00 0.00 C ATOM 81 O VAL A 9 -0.487 2.854 -8.949 1.00 0.00 O ATOM 82 CB VAL A 9 -3.454 3.558 -7.827 1.00 0.00 C ATOM 83 CG1 VAL A 9 -2.942 4.684 -6.941 1.00 0.00 C ATOM 84 CG2 VAL A 9 -4.964 3.643 -7.992 1.00 0.00 C ATOM 0 H VAL A 9 -2.718 1.515 -9.485 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.166 4.416 -9.786 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.217 2.611 -7.343 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.445 4.644 -5.975 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.867 4.573 -6.796 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.147 5.643 -7.417 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.439 3.618 -7.011 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.223 4.574 -8.497 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.313 2.799 -8.586 1.00 0.00 H new ATOM 94 N PHE A 10 -0.866 5.071 -8.874 1.00 0.00 N ATOM 95 CA PHE A 10 0.537 5.414 -8.674 1.00 0.00 C ATOM 96 C PHE A 10 0.690 6.465 -7.579 1.00 0.00 C ATOM 97 O PHE A 10 0.317 7.624 -7.760 1.00 0.00 O ATOM 98 CB PHE A 10 1.149 5.929 -9.979 1.00 0.00 C ATOM 99 CG PHE A 10 1.344 4.858 -11.014 1.00 0.00 C ATOM 100 CD1 PHE A 10 0.294 4.461 -11.826 1.00 0.00 C ATOM 101 CD2 PHE A 10 2.577 4.246 -11.173 1.00 0.00 C ATOM 102 CE1 PHE A 10 0.470 3.476 -12.779 1.00 0.00 C ATOM 103 CE2 PHE A 10 2.759 3.261 -12.125 1.00 0.00 C ATOM 104 CZ PHE A 10 1.704 2.874 -12.928 1.00 0.00 C ATOM 0 H PHE A 10 -1.495 5.873 -8.910 1.00 0.00 H new ATOM 0 HA PHE A 10 1.064 4.512 -8.364 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.506 6.707 -10.390 1.00 0.00 H new ATOM 0 HB3 PHE A 10 2.111 6.392 -9.762 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.674 4.927 -11.713 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.405 4.542 -10.546 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.357 3.177 -13.407 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.726 2.794 -12.241 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.844 2.102 -13.671 1.00 0.00 H new ATOM 114 N ILE A 11 1.239 6.050 -6.442 1.00 0.00 N ATOM 115 CA ILE A 11 1.441 6.955 -5.317 1.00 0.00 C ATOM 116 C ILE A 11 2.831 7.582 -5.359 1.00 0.00 C ATOM 117 O ILE A 11 3.827 6.926 -5.059 1.00 0.00 O ATOM 118 CB ILE A 11 1.258 6.230 -3.971 1.00 0.00 C ATOM 119 CG1 ILE A 11 -0.179 5.724 -3.831 1.00 0.00 C ATOM 120 CG2 ILE A 11 1.615 7.156 -2.818 1.00 0.00 C ATOM 121 CD1 ILE A 11 -1.218 6.816 -3.950 1.00 0.00 C ATOM 0 H ILE A 11 1.552 5.093 -6.276 1.00 0.00 H new ATOM 0 HA ILE A 11 0.688 7.739 -5.403 1.00 0.00 H new ATOM 0 HB ILE A 11 1.929 5.372 -3.943 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.366 4.970 -4.596 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.290 5.232 -2.865 1.00 0.00 H new ATOM 0 HG21 ILE A 11 1.481 6.629 -1.873 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.654 7.471 -2.913 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.966 8.032 -2.841 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.213 6.385 -3.841 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.057 7.559 -3.169 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.134 7.293 -4.927 1.00 0.00 H new ATOM 133 N GLU A 12 2.888 8.857 -5.732 1.00 0.00 N ATOM 134 CA GLU A 12 4.155 9.573 -5.812 1.00 0.00 C ATOM 135 C GLU A 12 4.511 10.201 -4.467 1.00 0.00 C ATOM 136 O GLU A 12 3.867 11.152 -4.023 1.00 0.00 O ATOM 137 CB GLU A 12 4.088 10.656 -6.891 1.00 0.00 C ATOM 138 CG GLU A 12 4.183 10.111 -8.306 1.00 0.00 C ATOM 139 CD GLU A 12 4.824 11.094 -9.267 1.00 0.00 C ATOM 140 OE1 GLU A 12 5.799 11.764 -8.869 1.00 0.00 O ATOM 141 OE2 GLU A 12 4.350 11.191 -10.419 1.00 0.00 O ATOM 0 H GLU A 12 2.072 9.414 -5.983 1.00 0.00 H new ATOM 0 HA GLU A 12 4.932 8.855 -6.076 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.153 11.206 -6.784 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.897 11.368 -6.730 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.761 9.187 -8.298 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.184 9.859 -8.662 1.00 0.00 H new ATOM 148 N LYS A 13 5.541 9.663 -3.824 1.00 0.00 N ATOM 149 CA LYS A 13 5.985 10.169 -2.530 1.00 0.00 C ATOM 150 C LYS A 13 7.506 10.265 -2.477 1.00 0.00 C ATOM 151 O LYS A 13 8.188 10.005 -3.467 1.00 0.00 O ATOM 152 CB LYS A 13 5.481 9.262 -1.405 1.00 0.00 C ATOM 153 CG LYS A 13 6.226 7.942 -1.307 1.00 0.00 C ATOM 154 CD LYS A 13 6.068 7.313 0.067 1.00 0.00 C ATOM 155 CE LYS A 13 6.559 5.873 0.081 1.00 0.00 C ATOM 156 NZ LYS A 13 5.478 4.915 -0.282 1.00 0.00 N ATOM 0 H LYS A 13 6.085 8.876 -4.178 1.00 0.00 H new ATOM 0 HA LYS A 13 5.570 11.168 -2.396 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.570 9.791 -0.456 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.421 9.061 -1.560 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.853 7.256 -2.067 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.284 8.104 -1.515 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.625 7.895 0.801 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.020 7.344 0.364 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.389 5.766 -0.617 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.942 5.630 1.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.896 3.990 -0.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.822 4.812 0.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.960 5.273 -1.109 1.00 0.00 H new ATOM 170 N GLN A 14 8.030 10.639 -1.314 1.00 0.00 N ATOM 171 CA GLN A 14 9.471 10.769 -1.133 1.00 0.00 C ATOM 172 C GLN A 14 10.042 9.550 -0.416 1.00 0.00 C ATOM 173 O GLN A 14 9.306 8.773 0.192 1.00 0.00 O ATOM 174 CB GLN A 14 9.795 12.038 -0.342 1.00 0.00 C ATOM 175 CG GLN A 14 9.651 13.315 -1.154 1.00 0.00 C ATOM 176 CD GLN A 14 10.237 14.523 -0.451 1.00 0.00 C ATOM 177 OE1 GLN A 14 11.173 15.152 -0.947 1.00 0.00 O ATOM 178 NE2 GLN A 14 9.688 14.855 0.712 1.00 0.00 N ATOM 0 H GLN A 14 7.479 10.857 -0.484 1.00 0.00 H new ATOM 0 HA GLN A 14 9.930 10.836 -2.119 1.00 0.00 H new ATOM 0 HB2 GLN A 14 9.137 12.093 0.526 1.00 0.00 H new ATOM 0 HB3 GLN A 14 10.815 11.970 0.035 1.00 0.00 H new ATOM 0 HG2 GLN A 14 10.144 13.186 -2.118 1.00 0.00 H new ATOM 0 HG3 GLN A 14 8.595 13.495 -1.357 1.00 0.00 H new ATOM 0 HE21 GLN A 14 8.914 14.306 1.086 1.00 0.00 H new ATOM 0 HE22 GLN A 14 10.040 15.659 1.231 1.00 0.00 H new ATOM 187 N LYS A 15 11.358 9.387 -0.492 1.00 0.00 N ATOM 188 CA LYS A 15 12.029 8.263 0.150 1.00 0.00 C ATOM 189 C LYS A 15 12.260 8.541 1.632 1.00 0.00 C ATOM 190 O LYS A 15 12.619 9.653 2.016 1.00 0.00 O ATOM 191 CB LYS A 15 13.365 7.978 -0.541 1.00 0.00 C ATOM 192 CG LYS A 15 13.219 7.518 -1.981 1.00 0.00 C ATOM 193 CD LYS A 15 14.518 7.682 -2.753 1.00 0.00 C ATOM 194 CE LYS A 15 14.336 7.351 -4.226 1.00 0.00 C ATOM 195 NZ LYS A 15 13.902 8.539 -5.012 1.00 0.00 N ATOM 0 H LYS A 15 11.982 10.020 -0.992 1.00 0.00 H new ATOM 0 HA LYS A 15 11.386 7.388 0.059 1.00 0.00 H new ATOM 0 HB2 LYS A 15 13.977 8.880 -0.517 1.00 0.00 H new ATOM 0 HB3 LYS A 15 13.901 7.214 0.023 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.913 6.472 -2.001 1.00 0.00 H new ATOM 0 HG3 LYS A 15 12.430 8.091 -2.469 1.00 0.00 H new ATOM 0 HD2 LYS A 15 14.877 8.706 -2.651 1.00 0.00 H new ATOM 0 HD3 LYS A 15 15.282 7.033 -2.325 1.00 0.00 H new ATOM 0 HE2 LYS A 15 15.274 6.970 -4.631 1.00 0.00 H new ATOM 0 HE3 LYS A 15 13.597 6.556 -4.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 13.379 8.226 -5.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 13.286 9.137 -4.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 14.737 9.085 -5.306 1.00 0.00 H new ATOM 209 N GLY A 16 12.053 7.522 2.460 1.00 0.00 N ATOM 210 CA GLY A 16 12.245 7.677 3.890 1.00 0.00 C ATOM 211 C GLY A 16 10.934 7.745 4.647 1.00 0.00 C ATOM 212 O GLY A 16 10.852 7.316 5.797 1.00 0.00 O ATOM 0 H GLY A 16 11.756 6.592 2.166 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.836 6.842 4.267 1.00 0.00 H new ATOM 0 HA3 GLY A 16 12.818 8.584 4.080 1.00 0.00 H new ATOM 216 N GLU A 17 9.906 8.286 4.001 1.00 0.00 N ATOM 217 CA GLU A 17 8.593 8.411 4.623 1.00 0.00 C ATOM 218 C GLU A 17 7.710 7.217 4.271 1.00 0.00 C ATOM 219 O GLU A 17 7.979 6.494 3.312 1.00 0.00 O ATOM 220 CB GLU A 17 7.915 9.709 4.180 1.00 0.00 C ATOM 221 CG GLU A 17 7.688 9.796 2.680 1.00 0.00 C ATOM 222 CD GLU A 17 7.657 11.226 2.177 1.00 0.00 C ATOM 223 OE1 GLU A 17 8.502 12.030 2.621 1.00 0.00 O ATOM 224 OE2 GLU A 17 6.786 11.540 1.338 1.00 0.00 O ATOM 0 H GLU A 17 9.957 8.645 3.047 1.00 0.00 H new ATOM 0 HA GLU A 17 8.732 8.433 5.704 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.956 9.800 4.690 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.526 10.554 4.496 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.478 9.250 2.164 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.747 9.306 2.430 1.00 0.00 H new ATOM 231 N ILE A 18 6.656 7.018 5.055 1.00 0.00 N ATOM 232 CA ILE A 18 5.732 5.913 4.827 1.00 0.00 C ATOM 233 C ILE A 18 4.601 6.326 3.892 1.00 0.00 C ATOM 234 O ILE A 18 4.457 7.502 3.556 1.00 0.00 O ATOM 235 CB ILE A 18 5.130 5.401 6.149 1.00 0.00 C ATOM 236 CG1 ILE A 18 4.525 6.561 6.942 1.00 0.00 C ATOM 237 CG2 ILE A 18 6.190 4.685 6.972 1.00 0.00 C ATOM 238 CD1 ILE A 18 3.420 6.137 7.884 1.00 0.00 C ATOM 0 H ILE A 18 6.420 7.607 5.854 1.00 0.00 H new ATOM 0 HA ILE A 18 6.307 5.111 4.365 1.00 0.00 H new ATOM 0 HB ILE A 18 4.336 4.690 5.918 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.313 7.049 7.516 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.133 7.302 6.245 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.749 4.329 7.903 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.578 3.837 6.407 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.004 5.375 7.196 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.038 7.010 8.413 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.613 5.676 7.314 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.812 5.419 8.605 1.00 0.00 H new ATOM 250 N LEU A 19 3.800 5.352 3.475 1.00 0.00 N ATOM 251 CA LEU A 19 2.679 5.614 2.580 1.00 0.00 C ATOM 252 C LEU A 19 1.563 6.357 3.307 1.00 0.00 C ATOM 253 O LEU A 19 0.520 6.655 2.726 1.00 0.00 O ATOM 254 CB LEU A 19 2.142 4.302 2.005 1.00 0.00 C ATOM 255 CG LEU A 19 1.094 4.432 0.900 1.00 0.00 C ATOM 256 CD1 LEU A 19 1.628 5.279 -0.245 1.00 0.00 C ATOM 257 CD2 LEU A 19 0.674 3.058 0.398 1.00 0.00 C ATOM 0 H LEU A 19 3.906 4.373 3.742 1.00 0.00 H new ATOM 0 HA LEU A 19 3.037 6.242 1.764 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.983 3.729 1.615 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.711 3.721 2.820 1.00 0.00 H new ATOM 0 HG LEU A 19 0.217 4.929 1.315 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.868 5.361 -1.022 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.878 6.274 0.124 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.521 4.811 -0.658 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.073 3.170 -0.388 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.543 2.534 0.001 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.250 2.484 1.222 1.00 0.00 H new ATOM 269 N GLY A 20 1.791 6.656 4.583 1.00 0.00 N ATOM 270 CA GLY A 20 0.797 7.364 5.368 1.00 0.00 C ATOM 271 C GLY A 20 -0.616 6.905 5.065 1.00 0.00 C ATOM 272 O GLY A 20 -1.474 7.711 4.706 1.00 0.00 O ATOM 0 H GLY A 20 2.646 6.420 5.086 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.004 7.217 6.428 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.878 8.433 5.172 1.00 0.00 H new ATOM 276 N VAL A 21 -0.858 5.606 5.209 1.00 0.00 N ATOM 277 CA VAL A 21 -2.176 5.041 4.948 1.00 0.00 C ATOM 278 C VAL A 21 -2.405 3.777 5.770 1.00 0.00 C ATOM 279 O VAL A 21 -1.477 3.004 6.011 1.00 0.00 O ATOM 280 CB VAL A 21 -2.359 4.709 3.455 1.00 0.00 C ATOM 281 CG1 VAL A 21 -1.755 3.350 3.132 1.00 0.00 C ATOM 282 CG2 VAL A 21 -3.831 4.750 3.076 1.00 0.00 C ATOM 0 H VAL A 21 -0.158 4.925 5.505 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.907 5.796 5.237 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.835 5.462 2.867 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.894 3.133 2.073 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.690 3.361 3.364 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.248 2.582 3.728 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.941 4.513 2.018 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.380 4.020 3.670 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.228 5.747 3.268 1.00 0.00 H new ATOM 292 N VAL A 22 -3.646 3.573 6.198 1.00 0.00 N ATOM 293 CA VAL A 22 -3.998 2.403 6.992 1.00 0.00 C ATOM 294 C VAL A 22 -4.909 1.462 6.211 1.00 0.00 C ATOM 295 O VAL A 22 -5.828 1.903 5.520 1.00 0.00 O ATOM 296 CB VAL A 22 -4.698 2.804 8.304 1.00 0.00 C ATOM 297 CG1 VAL A 22 -5.014 1.573 9.140 1.00 0.00 C ATOM 298 CG2 VAL A 22 -3.838 3.784 9.088 1.00 0.00 C ATOM 0 H VAL A 22 -4.425 4.203 6.008 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.066 1.890 7.228 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.638 3.297 8.057 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.508 1.877 10.063 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.672 0.910 8.578 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.089 1.049 9.380 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.348 4.057 10.012 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.881 3.319 9.325 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.668 4.679 8.489 1.00 0.00 H new ATOM 308 N ILE A 23 -4.648 0.164 6.325 1.00 0.00 N ATOM 309 CA ILE A 23 -5.445 -0.839 5.631 1.00 0.00 C ATOM 310 C ILE A 23 -6.038 -1.845 6.611 1.00 0.00 C ATOM 311 O ILE A 23 -5.530 -2.024 7.718 1.00 0.00 O ATOM 312 CB ILE A 23 -4.609 -1.595 4.581 1.00 0.00 C ATOM 313 CG1 ILE A 23 -3.486 -2.381 5.261 1.00 0.00 C ATOM 314 CG2 ILE A 23 -4.038 -0.622 3.559 1.00 0.00 C ATOM 315 CD1 ILE A 23 -3.027 -3.586 4.469 1.00 0.00 C ATOM 0 H ILE A 23 -3.890 -0.217 6.892 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.252 -0.307 5.127 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.257 -2.300 4.061 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.636 -1.718 5.424 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.826 -2.710 6.243 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.450 -1.171 2.823 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.854 -0.102 3.057 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.401 0.104 4.064 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.230 -4.095 5.011 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.864 -4.270 4.328 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.656 -3.262 3.497 1.00 0.00 H new ATOM 327 N VAL A 24 -7.117 -2.502 6.197 1.00 0.00 N ATOM 328 CA VAL A 24 -7.779 -3.493 7.037 1.00 0.00 C ATOM 329 C VAL A 24 -8.303 -4.657 6.204 1.00 0.00 C ATOM 330 O VAL A 24 -8.180 -4.662 4.980 1.00 0.00 O ATOM 331 CB VAL A 24 -8.948 -2.871 7.823 1.00 0.00 C ATOM 332 CG1 VAL A 24 -8.428 -1.917 8.888 1.00 0.00 C ATOM 333 CG2 VAL A 24 -9.906 -2.159 6.879 1.00 0.00 C ATOM 0 H VAL A 24 -7.551 -2.366 5.284 1.00 0.00 H new ATOM 0 HA VAL A 24 -7.033 -3.861 7.741 1.00 0.00 H new ATOM 0 HB VAL A 24 -9.494 -3.672 8.322 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -9.268 -1.487 9.433 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.786 -2.460 9.581 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.857 -1.119 8.414 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -10.726 -1.725 7.452 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.375 -1.368 6.350 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -10.305 -2.873 6.158 1.00 0.00 H new ATOM 343 N GLU A 25 -8.889 -5.643 6.877 1.00 0.00 N ATOM 344 CA GLU A 25 -9.432 -6.813 6.198 1.00 0.00 C ATOM 345 C GLU A 25 -10.585 -6.423 5.278 1.00 0.00 C ATOM 346 O GLU A 25 -11.520 -5.739 5.694 1.00 0.00 O ATOM 347 CB GLU A 25 -9.908 -7.848 7.220 1.00 0.00 C ATOM 348 CG GLU A 25 -8.880 -8.161 8.294 1.00 0.00 C ATOM 349 CD GLU A 25 -9.359 -9.218 9.270 1.00 0.00 C ATOM 350 OE1 GLU A 25 -9.746 -10.314 8.814 1.00 0.00 O ATOM 351 OE2 GLU A 25 -9.348 -8.949 10.489 1.00 0.00 O ATOM 0 H GLU A 25 -8.999 -5.654 7.891 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.639 -7.250 5.592 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.819 -7.484 7.696 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.167 -8.769 6.698 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.958 -8.499 7.821 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.642 -7.249 8.841 1.00 0.00 H new ATOM 358 N SER A 26 -10.510 -6.862 4.026 1.00 0.00 N ATOM 359 CA SER A 26 -11.544 -6.555 3.045 1.00 0.00 C ATOM 360 C SER A 26 -12.721 -7.517 3.178 1.00 0.00 C ATOM 361 O SER A 26 -13.532 -7.653 2.262 1.00 0.00 O ATOM 362 CB SER A 26 -10.970 -6.626 1.628 1.00 0.00 C ATOM 363 OG SER A 26 -11.952 -6.289 0.663 1.00 0.00 O ATOM 0 H SER A 26 -9.744 -7.432 3.667 1.00 0.00 H new ATOM 0 HA SER A 26 -11.901 -5.543 3.234 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.122 -5.947 1.541 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.595 -7.631 1.434 1.00 0.00 H new ATOM 0 HG SER A 26 -12.822 -6.641 0.945 1.00 0.00 H new ATOM 437 N LEU A 32 -13.040 -10.131 -3.635 1.00 0.00 N ATOM 438 CA LEU A 32 -11.689 -10.575 -3.310 1.00 0.00 C ATOM 439 C LEU A 32 -11.218 -9.966 -1.993 1.00 0.00 C ATOM 440 O LEU A 32 -10.833 -8.799 -1.923 1.00 0.00 O ATOM 441 CB LEU A 32 -10.723 -10.197 -4.434 1.00 0.00 C ATOM 442 CG LEU A 32 -10.802 -11.048 -5.702 1.00 0.00 C ATOM 443 CD1 LEU A 32 -10.078 -12.370 -5.504 1.00 0.00 C ATOM 444 CD2 LEU A 32 -12.253 -11.286 -6.094 1.00 0.00 C ATOM 0 HA LEU A 32 -11.705 -11.660 -3.202 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.904 -9.157 -4.707 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.706 -10.253 -4.046 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.311 -10.507 -6.511 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.145 -12.962 -6.417 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.030 -12.180 -5.271 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.539 -12.918 -4.682 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.291 -11.893 -6.998 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.768 -11.806 -5.286 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.742 -10.329 -6.279 1.00 0.00 H new ATOM 456 N PRO A 33 -11.246 -10.775 -0.924 1.00 0.00 N ATOM 457 CA PRO A 33 -10.823 -10.339 0.410 1.00 0.00 C ATOM 458 C PRO A 33 -9.317 -10.116 0.496 1.00 0.00 C ATOM 459 O PRO A 33 -8.571 -10.997 0.925 1.00 0.00 O ATOM 460 CB PRO A 33 -11.244 -11.501 1.313 1.00 0.00 C ATOM 461 CG PRO A 33 -11.270 -12.689 0.415 1.00 0.00 C ATOM 462 CD PRO A 33 -11.693 -12.178 -0.935 1.00 0.00 C ATOM 0 HA PRO A 33 -11.268 -9.383 0.687 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -10.540 -11.640 2.133 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -12.222 -11.321 1.760 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -10.289 -13.161 0.364 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -11.967 -13.442 0.783 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.226 -12.742 -1.742 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.771 -12.255 -1.074 1.00 0.00 H new ATOM 470 N THR A 34 -8.874 -8.931 0.086 1.00 0.00 N ATOM 471 CA THR A 34 -7.457 -8.592 0.117 1.00 0.00 C ATOM 472 C THR A 34 -7.158 -7.575 1.212 1.00 0.00 C ATOM 473 O THR A 34 -6.625 -7.921 2.266 1.00 0.00 O ATOM 474 CB THR A 34 -6.985 -8.027 -1.236 1.00 0.00 C ATOM 475 OG1 THR A 34 -7.695 -6.820 -1.537 1.00 0.00 O ATOM 476 CG2 THR A 34 -7.202 -9.040 -2.351 1.00 0.00 C ATOM 0 H THR A 34 -9.477 -8.190 -0.272 1.00 0.00 H new ATOM 0 HA THR A 34 -6.916 -9.515 0.326 1.00 0.00 H new ATOM 0 HB THR A 34 -5.919 -7.813 -1.163 1.00 0.00 H new ATOM 0 HG1 THR A 34 -7.123 -6.228 -2.069 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.861 -8.619 -3.297 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.638 -9.947 -2.134 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.263 -9.281 -2.422 1.00 0.00 H new ATOM 484 N VAL A 35 -7.505 -6.318 0.955 1.00 0.00 N ATOM 485 CA VAL A 35 -7.276 -5.249 1.921 1.00 0.00 C ATOM 486 C VAL A 35 -7.844 -3.926 1.421 1.00 0.00 C ATOM 487 O VAL A 35 -7.752 -3.608 0.235 1.00 0.00 O ATOM 488 CB VAL A 35 -5.774 -5.072 2.215 1.00 0.00 C ATOM 489 CG1 VAL A 35 -5.352 -5.950 3.384 1.00 0.00 C ATOM 490 CG2 VAL A 35 -4.948 -5.385 0.977 1.00 0.00 C ATOM 0 H VAL A 35 -7.946 -6.015 0.087 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.788 -5.536 2.840 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.595 -4.032 2.489 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.288 -5.812 3.577 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.921 -5.673 4.271 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.544 -6.995 3.142 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.890 -5.255 1.203 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.129 -6.415 0.670 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.232 -4.710 0.170 1.00 0.00 H new ATOM 500 N ILE A 36 -8.430 -3.158 2.334 1.00 0.00 N ATOM 501 CA ILE A 36 -9.012 -1.868 1.986 1.00 0.00 C ATOM 502 C ILE A 36 -8.537 -0.776 2.938 1.00 0.00 C ATOM 503 O ILE A 36 -8.245 -1.039 4.105 1.00 0.00 O ATOM 504 CB ILE A 36 -10.551 -1.920 2.010 1.00 0.00 C ATOM 505 CG1 ILE A 36 -11.040 -2.641 3.268 1.00 0.00 C ATOM 506 CG2 ILE A 36 -11.078 -2.608 0.760 1.00 0.00 C ATOM 507 CD1 ILE A 36 -12.529 -2.514 3.497 1.00 0.00 C ATOM 0 H ILE A 36 -8.514 -3.407 3.320 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.680 -1.635 0.974 1.00 0.00 H new ATOM 0 HB ILE A 36 -10.933 -0.899 2.028 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.781 -3.697 3.196 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.512 -2.242 4.134 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -12.167 -2.637 0.792 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -10.756 -2.056 -0.123 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.689 -3.625 0.713 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -12.804 -3.049 4.406 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -12.793 -1.462 3.602 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -13.065 -2.940 2.649 1.00 0.00 H new ATOM 519 N ILE A 37 -8.462 0.451 2.433 1.00 0.00 N ATOM 520 CA ILE A 37 -8.025 1.584 3.239 1.00 0.00 C ATOM 521 C ILE A 37 -9.020 1.880 4.356 1.00 0.00 C ATOM 522 O ILE A 37 -10.191 2.158 4.100 1.00 0.00 O ATOM 523 CB ILE A 37 -7.842 2.849 2.380 1.00 0.00 C ATOM 524 CG1 ILE A 37 -7.095 2.511 1.088 1.00 0.00 C ATOM 525 CG2 ILE A 37 -7.098 3.919 3.165 1.00 0.00 C ATOM 526 CD1 ILE A 37 -8.008 2.137 -0.058 1.00 0.00 C ATOM 0 H ILE A 37 -8.698 0.686 1.469 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.064 1.310 3.675 1.00 0.00 H new ATOM 0 HB ILE A 37 -8.826 3.238 2.117 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.489 3.368 0.794 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -6.409 1.686 1.280 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.976 4.807 2.545 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.667 4.176 4.059 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.117 3.542 3.455 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -7.410 1.910 -0.941 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.596 1.261 0.216 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.677 2.969 -0.277 1.00 0.00 H new ATOM 538 N ALA A 38 -8.545 1.821 5.595 1.00 0.00 N ATOM 539 CA ALA A 38 -9.392 2.086 6.752 1.00 0.00 C ATOM 540 C ALA A 38 -9.295 3.547 7.179 1.00 0.00 C ATOM 541 O ALA A 38 -10.227 4.095 7.765 1.00 0.00 O ATOM 542 CB ALA A 38 -9.012 1.171 7.906 1.00 0.00 C ATOM 0 H ALA A 38 -7.578 1.592 5.824 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.425 1.884 6.469 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.653 1.380 8.763 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -9.139 0.132 7.603 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.971 1.344 8.180 1.00 0.00 H new ATOM 548 N ASN A 39 -8.159 4.171 6.882 1.00 0.00 N ATOM 549 CA ASN A 39 -7.940 5.569 7.237 1.00 0.00 C ATOM 550 C ASN A 39 -6.714 6.126 6.521 1.00 0.00 C ATOM 551 O ASN A 39 -5.812 5.380 6.141 1.00 0.00 O ATOM 552 CB ASN A 39 -7.769 5.712 8.751 1.00 0.00 C ATOM 553 CG ASN A 39 -8.204 7.074 9.256 1.00 0.00 C ATOM 554 OD1 ASN A 39 -7.438 8.103 8.914 1.00 0.00 O flip ATOM 555 ND2 ASN A 39 -9.217 7.198 9.945 1.00 0.00 N flip ATOM 0 H ASN A 39 -7.377 3.731 6.397 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.814 6.139 6.921 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.349 4.939 9.254 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.724 5.547 9.013 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.775 6.378 10.183 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -9.498 8.120 10.278 1.00 0.00 H new ATOM 562 N MET A 40 -6.689 7.443 6.340 1.00 0.00 N ATOM 563 CA MET A 40 -5.572 8.100 5.671 1.00 0.00 C ATOM 564 C MET A 40 -4.884 9.089 6.606 1.00 0.00 C ATOM 565 O MET A 40 -5.539 9.775 7.390 1.00 0.00 O ATOM 566 CB MET A 40 -6.058 8.824 4.413 1.00 0.00 C ATOM 567 CG MET A 40 -6.282 7.899 3.228 1.00 0.00 C ATOM 568 SD MET A 40 -6.686 8.794 1.716 1.00 0.00 S ATOM 569 CE MET A 40 -8.061 7.823 1.104 1.00 0.00 C ATOM 0 H MET A 40 -7.428 8.075 6.647 1.00 0.00 H new ATOM 0 HA MET A 40 -4.851 7.334 5.386 1.00 0.00 H new ATOM 0 HB2 MET A 40 -6.989 9.343 4.639 1.00 0.00 H new ATOM 0 HB3 MET A 40 -5.328 9.585 4.137 1.00 0.00 H new ATOM 0 HG2 MET A 40 -5.385 7.302 3.064 1.00 0.00 H new ATOM 0 HG3 MET A 40 -7.089 7.205 3.461 1.00 0.00 H new ATOM 0 HE1 MET A 40 -8.161 7.971 0.029 1.00 0.00 H new ATOM 0 HE2 MET A 40 -7.882 6.768 1.310 1.00 0.00 H new ATOM 0 HE3 MET A 40 -8.979 8.139 1.600 1.00 0.00 H new ATOM 579 N MET A 41 -3.559 9.155 6.519 1.00 0.00 N ATOM 580 CA MET A 41 -2.783 10.060 7.358 1.00 0.00 C ATOM 581 C MET A 41 -3.037 11.514 6.970 1.00 0.00 C ATOM 582 O MET A 41 -3.175 11.836 5.790 1.00 0.00 O ATOM 583 CB MET A 41 -1.290 9.743 7.243 1.00 0.00 C ATOM 584 CG MET A 41 -0.452 10.351 8.356 1.00 0.00 C ATOM 585 SD MET A 41 -0.471 9.359 9.861 1.00 0.00 S ATOM 586 CE MET A 41 0.429 7.908 9.322 1.00 0.00 C ATOM 0 H MET A 41 -3.001 8.593 5.876 1.00 0.00 H new ATOM 0 HA MET A 41 -3.099 9.917 8.391 1.00 0.00 H new ATOM 0 HB2 MET A 41 -1.155 8.661 7.247 1.00 0.00 H new ATOM 0 HB3 MET A 41 -0.923 10.106 6.283 1.00 0.00 H new ATOM 0 HG2 MET A 41 0.576 10.462 8.012 1.00 0.00 H new ATOM 0 HG3 MET A 41 -0.823 11.351 8.580 1.00 0.00 H new ATOM 0 HE1 MET A 41 1.013 7.513 10.153 1.00 0.00 H new ATOM 0 HE2 MET A 41 -0.275 7.149 8.980 1.00 0.00 H new ATOM 0 HE3 MET A 41 1.098 8.177 8.504 1.00 0.00 H new ATOM 596 N HIS A 42 -3.098 12.387 7.971 1.00 0.00 N ATOM 597 CA HIS A 42 -3.336 13.806 7.733 1.00 0.00 C ATOM 598 C HIS A 42 -2.072 14.491 7.223 1.00 0.00 C ATOM 599 O HIS A 42 -1.404 15.214 7.961 1.00 0.00 O ATOM 600 CB HIS A 42 -3.815 14.486 9.016 1.00 0.00 C ATOM 601 CG HIS A 42 -3.110 14.007 10.247 1.00 0.00 C ATOM 602 ND1 HIS A 42 -1.823 13.636 10.442 1.00 0.00 N flip ATOM 603 CD2 HIS A 42 -3.737 13.865 11.467 1.00 0.00 C flip ATOM 604 CE1 HIS A 42 -1.697 13.281 11.763 1.00 0.00 C flip ATOM 605 NE2 HIS A 42 -2.866 13.429 12.359 1.00 0.00 N flip ATOM 0 H HIS A 42 -2.986 12.137 8.953 1.00 0.00 H new ATOM 0 HA HIS A 42 -4.110 13.896 6.971 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -3.673 15.563 8.922 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -4.885 14.315 9.130 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -4.778 14.077 11.663 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -0.790 12.937 12.237 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -3.063 13.239 13.342 1.00 0.00 H new ATOM 614 N GLY A 43 -1.749 14.256 5.954 1.00 0.00 N ATOM 615 CA GLY A 43 -0.565 14.857 5.367 1.00 0.00 C ATOM 616 C GLY A 43 0.376 13.826 4.776 1.00 0.00 C ATOM 617 O GLY A 43 1.579 14.061 4.670 1.00 0.00 O ATOM 0 H GLY A 43 -2.286 13.661 5.323 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.865 15.559 4.589 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.038 15.432 6.128 1.00 0.00 H new ATOM 621 N GLY A 44 -0.173 12.678 4.391 1.00 0.00 N ATOM 622 CA GLY A 44 0.640 11.623 3.814 1.00 0.00 C ATOM 623 C GLY A 44 0.561 11.592 2.300 1.00 0.00 C ATOM 624 O GLY A 44 -0.169 12.365 1.680 1.00 0.00 O ATOM 0 H GLY A 44 -1.166 12.460 4.468 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.678 11.761 4.118 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.317 10.661 4.211 1.00 0.00 H new ATOM 628 N PRO A 45 1.327 10.681 1.682 1.00 0.00 N ATOM 629 CA PRO A 45 1.358 10.531 0.225 1.00 0.00 C ATOM 630 C PRO A 45 0.058 9.956 -0.327 1.00 0.00 C ATOM 631 O PRO A 45 -0.323 10.237 -1.463 1.00 0.00 O ATOM 632 CB PRO A 45 2.515 9.556 -0.007 1.00 0.00 C ATOM 633 CG PRO A 45 2.615 8.779 1.261 1.00 0.00 C ATOM 634 CD PRO A 45 2.221 9.727 2.359 1.00 0.00 C ATOM 0 HA PRO A 45 1.482 11.489 -0.280 1.00 0.00 H new ATOM 0 HB2 PRO A 45 2.318 8.903 -0.857 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.443 10.086 -0.221 1.00 0.00 H new ATOM 0 HG2 PRO A 45 1.956 7.911 1.240 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.628 8.407 1.412 1.00 0.00 H new ATOM 0 HD2 PRO A 45 1.714 9.210 3.174 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.089 10.226 2.790 1.00 0.00 H new ATOM 642 N ALA A 46 -0.617 9.149 0.484 1.00 0.00 N ATOM 643 CA ALA A 46 -1.876 8.536 0.077 1.00 0.00 C ATOM 644 C ALA A 46 -3.019 9.544 0.128 1.00 0.00 C ATOM 645 O ALA A 46 -3.864 9.582 -0.765 1.00 0.00 O ATOM 646 CB ALA A 46 -2.188 7.336 0.960 1.00 0.00 C ATOM 0 H ALA A 46 -0.314 8.904 1.427 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.771 8.198 -0.954 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.130 6.888 0.645 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.389 6.600 0.870 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.269 7.659 1.998 1.00 0.00 H new ATOM 652 N GLU A 47 -3.038 10.358 1.179 1.00 0.00 N ATOM 653 CA GLU A 47 -4.079 11.365 1.346 1.00 0.00 C ATOM 654 C GLU A 47 -3.944 12.466 0.298 1.00 0.00 C ATOM 655 O GLU A 47 -4.938 13.032 -0.157 1.00 0.00 O ATOM 656 CB GLU A 47 -4.014 11.971 2.749 1.00 0.00 C ATOM 657 CG GLU A 47 -4.911 13.184 2.931 1.00 0.00 C ATOM 658 CD GLU A 47 -6.296 12.816 3.426 1.00 0.00 C ATOM 659 OE1 GLU A 47 -6.400 11.913 4.282 1.00 0.00 O ATOM 660 OE2 GLU A 47 -7.277 13.431 2.957 1.00 0.00 O ATOM 0 H GLU A 47 -2.345 10.340 1.927 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.045 10.877 1.214 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.294 11.210 3.477 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.984 12.256 2.965 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.447 13.871 3.638 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.997 13.713 1.982 1.00 0.00 H new ATOM 667 N LYS A 48 -2.706 12.765 -0.081 1.00 0.00 N ATOM 668 CA LYS A 48 -2.437 13.797 -1.075 1.00 0.00 C ATOM 669 C LYS A 48 -2.549 13.233 -2.488 1.00 0.00 C ATOM 670 O LYS A 48 -2.901 13.949 -3.426 1.00 0.00 O ATOM 671 CB LYS A 48 -1.043 14.391 -0.860 1.00 0.00 C ATOM 672 CG LYS A 48 -1.000 15.470 0.208 1.00 0.00 C ATOM 673 CD LYS A 48 0.412 15.988 0.420 1.00 0.00 C ATOM 674 CE LYS A 48 1.221 15.054 1.308 1.00 0.00 C ATOM 675 NZ LYS A 48 2.630 15.511 1.455 1.00 0.00 N ATOM 0 H LYS A 48 -1.872 12.306 0.286 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.182 14.584 -0.956 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.355 13.592 -0.585 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.686 14.809 -1.801 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.652 16.295 -0.080 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.387 15.071 1.146 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.909 16.097 -0.544 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.373 16.979 0.872 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.755 14.993 2.291 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.207 14.049 0.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.148 14.848 2.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.083 15.545 0.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.645 16.459 1.881 1.00 0.00 H new ATOM 689 N SER A 49 -2.248 11.947 -2.633 1.00 0.00 N ATOM 690 CA SER A 49 -2.312 11.288 -3.932 1.00 0.00 C ATOM 691 C SER A 49 -3.729 11.336 -4.495 1.00 0.00 C ATOM 692 O SER A 49 -3.927 11.545 -5.691 1.00 0.00 O ATOM 693 CB SER A 49 -1.846 9.836 -3.815 1.00 0.00 C ATOM 694 OG SER A 49 -2.566 9.149 -2.805 1.00 0.00 O ATOM 0 H SER A 49 -1.957 11.340 -1.866 1.00 0.00 H new ATOM 0 HA SER A 49 -1.650 11.820 -4.615 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.981 9.329 -4.771 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.780 9.810 -3.588 1.00 0.00 H new ATOM 0 HG SER A 49 -3.072 9.794 -2.268 1.00 0.00 H new ATOM 700 N GLY A 50 -4.713 11.139 -3.623 1.00 0.00 N ATOM 701 CA GLY A 50 -6.100 11.163 -4.051 1.00 0.00 C ATOM 702 C GLY A 50 -6.422 10.055 -5.034 1.00 0.00 C ATOM 703 O GLY A 50 -7.455 10.089 -5.704 1.00 0.00 O ATOM 0 H GLY A 50 -4.575 10.963 -2.628 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.748 11.071 -3.179 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.319 12.127 -4.510 1.00 0.00 H new ATOM 707 N LYS A 51 -5.537 9.068 -5.123 1.00 0.00 N ATOM 708 CA LYS A 51 -5.731 7.945 -6.031 1.00 0.00 C ATOM 709 C LYS A 51 -6.691 6.921 -5.433 1.00 0.00 C ATOM 710 O LYS A 51 -7.446 6.268 -6.155 1.00 0.00 O ATOM 711 CB LYS A 51 -4.389 7.278 -6.345 1.00 0.00 C ATOM 712 CG LYS A 51 -3.321 8.251 -6.813 1.00 0.00 C ATOM 713 CD LYS A 51 -3.328 8.401 -8.325 1.00 0.00 C ATOM 714 CE LYS A 51 -4.232 9.541 -8.769 1.00 0.00 C ATOM 715 NZ LYS A 51 -4.373 9.593 -10.250 1.00 0.00 N ATOM 0 H LYS A 51 -4.677 9.024 -4.576 1.00 0.00 H new ATOM 0 HA LYS A 51 -6.165 8.328 -6.955 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.032 6.761 -5.454 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.540 6.520 -7.114 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.485 9.224 -6.349 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.341 7.903 -6.485 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.313 8.582 -8.678 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.664 7.470 -8.782 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.216 9.422 -8.315 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.827 10.487 -8.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.996 10.383 -10.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.438 9.732 -10.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.784 8.700 -10.591 1.00 0.00 H new ATOM 729 N LEU A 52 -6.659 6.788 -4.112 1.00 0.00 N ATOM 730 CA LEU A 52 -7.528 5.845 -3.417 1.00 0.00 C ATOM 731 C LEU A 52 -8.579 6.580 -2.592 1.00 0.00 C ATOM 732 O LEU A 52 -8.615 7.809 -2.567 1.00 0.00 O ATOM 733 CB LEU A 52 -6.701 4.930 -2.512 1.00 0.00 C ATOM 734 CG LEU A 52 -5.446 5.551 -1.897 1.00 0.00 C ATOM 735 CD1 LEU A 52 -4.390 5.790 -2.965 1.00 0.00 C ATOM 736 CD2 LEU A 52 -5.789 6.850 -1.183 1.00 0.00 C ATOM 0 H LEU A 52 -6.041 7.321 -3.501 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.038 5.240 -4.166 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.341 4.577 -1.703 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.404 4.054 -3.089 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.040 4.853 -1.164 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.504 6.232 -2.509 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -4.123 4.842 -3.431 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.785 6.468 -3.722 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.884 7.278 -0.751 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.219 7.554 -1.895 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.510 6.650 -0.390 1.00 0.00 H new ATOM 748 N ASN A 53 -9.433 5.817 -1.916 1.00 0.00 N ATOM 749 CA ASN A 53 -10.484 6.397 -1.087 1.00 0.00 C ATOM 750 C ASN A 53 -10.899 5.431 0.019 1.00 0.00 C ATOM 751 O ASN A 53 -10.850 4.213 -0.157 1.00 0.00 O ATOM 752 CB ASN A 53 -11.697 6.758 -1.946 1.00 0.00 C ATOM 753 CG ASN A 53 -11.312 7.123 -3.367 1.00 0.00 C ATOM 754 OD1 ASN A 53 -10.695 6.183 -4.072 1.00 0.00 O flip ATOM 755 ND2 ASN A 53 -11.567 8.238 -3.824 1.00 0.00 N flip ATOM 0 H ASN A 53 -9.418 4.797 -1.926 1.00 0.00 H new ATOM 0 HA ASN A 53 -10.091 7.303 -0.625 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -12.389 5.916 -1.965 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.226 7.595 -1.490 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.043 8.930 -3.245 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -11.302 8.470 -4.781 1.00 0.00 H new ATOM 762 N ILE A 54 -11.308 5.983 1.156 1.00 0.00 N ATOM 763 CA ILE A 54 -11.733 5.171 2.289 1.00 0.00 C ATOM 764 C ILE A 54 -12.743 4.112 1.858 1.00 0.00 C ATOM 765 O ILE A 54 -13.907 4.417 1.601 1.00 0.00 O ATOM 766 CB ILE A 54 -12.357 6.037 3.400 1.00 0.00 C ATOM 767 CG1 ILE A 54 -11.384 7.138 3.824 1.00 0.00 C ATOM 768 CG2 ILE A 54 -12.741 5.173 4.592 1.00 0.00 C ATOM 769 CD1 ILE A 54 -10.110 6.612 4.447 1.00 0.00 C ATOM 0 H ILE A 54 -11.354 6.989 1.317 1.00 0.00 H new ATOM 0 HA ILE A 54 -10.841 4.682 2.679 1.00 0.00 H new ATOM 0 HB ILE A 54 -13.260 6.507 3.011 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -11.130 7.742 2.953 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -11.882 7.797 4.535 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -13.180 5.799 5.369 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -13.466 4.422 4.278 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -11.852 4.679 4.984 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -9.468 7.448 4.723 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -10.353 6.032 5.337 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -9.590 5.976 3.730 1.00 0.00 H new ATOM 781 N GLY A 55 -12.289 2.865 1.784 1.00 0.00 N ATOM 782 CA GLY A 55 -13.165 1.779 1.386 1.00 0.00 C ATOM 783 C GLY A 55 -12.621 0.997 0.206 1.00 0.00 C ATOM 784 O GLY A 55 -12.938 -0.180 0.034 1.00 0.00 O ATOM 0 H GLY A 55 -11.330 2.587 1.993 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -13.308 1.104 2.230 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -14.145 2.182 1.130 1.00 0.00 H new ATOM 788 N ASP A 56 -11.802 1.653 -0.609 1.00 0.00 N ATOM 789 CA ASP A 56 -11.214 1.012 -1.779 1.00 0.00 C ATOM 790 C ASP A 56 -10.287 -0.127 -1.366 1.00 0.00 C ATOM 791 O ASP A 56 -9.596 -0.040 -0.351 1.00 0.00 O ATOM 792 CB ASP A 56 -10.443 2.036 -2.614 1.00 0.00 C ATOM 793 CG ASP A 56 -11.310 2.690 -3.673 1.00 0.00 C ATOM 794 OD1 ASP A 56 -12.368 3.245 -3.312 1.00 0.00 O ATOM 795 OD2 ASP A 56 -10.930 2.645 -4.862 1.00 0.00 O ATOM 0 H ASP A 56 -11.531 2.628 -0.481 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.023 0.598 -2.381 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.036 2.804 -1.957 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.596 1.546 -3.094 1.00 0.00 H new ATOM 800 N GLN A 57 -10.278 -1.193 -2.160 1.00 0.00 N ATOM 801 CA GLN A 57 -9.438 -2.350 -1.875 1.00 0.00 C ATOM 802 C GLN A 57 -8.296 -2.454 -2.881 1.00 0.00 C ATOM 803 O GLN A 57 -8.440 -2.067 -4.041 1.00 0.00 O ATOM 804 CB GLN A 57 -10.272 -3.632 -1.899 1.00 0.00 C ATOM 805 CG GLN A 57 -10.310 -4.307 -3.261 1.00 0.00 C ATOM 806 CD GLN A 57 -11.459 -5.287 -3.394 1.00 0.00 C ATOM 807 OE1 GLN A 57 -11.240 -6.520 -2.952 1.00 0.00 O flip ATOM 808 NE2 GLN A 57 -12.532 -4.940 -3.889 1.00 0.00 N flip ATOM 0 H GLN A 57 -10.843 -1.279 -3.005 1.00 0.00 H new ATOM 0 HA GLN A 57 -9.012 -2.221 -0.880 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -9.869 -4.332 -1.167 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -11.291 -3.399 -1.590 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -10.394 -3.546 -4.037 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -9.369 -4.831 -3.429 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -12.657 -3.982 -4.216 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -13.296 -5.611 -3.972 1.00 0.00 H new ATOM 817 N ILE A 58 -7.161 -2.977 -2.428 1.00 0.00 N ATOM 818 CA ILE A 58 -5.995 -3.131 -3.289 1.00 0.00 C ATOM 819 C ILE A 58 -5.916 -4.544 -3.859 1.00 0.00 C ATOM 820 O ILE A 58 -5.878 -5.523 -3.114 1.00 0.00 O ATOM 821 CB ILE A 58 -4.691 -2.822 -2.531 1.00 0.00 C ATOM 822 CG1 ILE A 58 -4.822 -1.505 -1.762 1.00 0.00 C ATOM 823 CG2 ILE A 58 -3.517 -2.763 -3.497 1.00 0.00 C ATOM 824 CD1 ILE A 58 -3.704 -1.270 -0.771 1.00 0.00 C ATOM 0 H ILE A 58 -7.025 -3.301 -1.470 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.109 -2.418 -4.105 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.507 -3.623 -1.815 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.846 -0.679 -2.473 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.774 -1.496 -1.232 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.603 -2.544 -2.946 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.414 -3.723 -4.003 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.692 -1.980 -4.235 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.862 -0.319 -0.263 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.693 -2.076 -0.037 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.750 -1.246 -1.298 1.00 0.00 H new ATOM 836 N MET A 59 -5.889 -4.640 -5.184 1.00 0.00 N ATOM 837 CA MET A 59 -5.811 -5.933 -5.854 1.00 0.00 C ATOM 838 C MET A 59 -4.402 -6.510 -5.760 1.00 0.00 C ATOM 839 O MET A 59 -4.225 -7.707 -5.534 1.00 0.00 O ATOM 840 CB MET A 59 -6.223 -5.797 -7.321 1.00 0.00 C ATOM 841 CG MET A 59 -7.715 -5.970 -7.552 1.00 0.00 C ATOM 842 SD MET A 59 -8.173 -7.682 -7.884 1.00 0.00 S ATOM 843 CE MET A 59 -8.210 -8.350 -6.223 1.00 0.00 C ATOM 0 H MET A 59 -5.920 -3.839 -5.815 1.00 0.00 H new ATOM 0 HA MET A 59 -6.498 -6.616 -5.354 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.919 -4.816 -7.686 1.00 0.00 H new ATOM 0 HB3 MET A 59 -5.684 -6.538 -7.911 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.258 -5.616 -6.675 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.023 -5.346 -8.391 1.00 0.00 H new ATOM 0 HE1 MET A 59 -8.743 -9.301 -6.225 1.00 0.00 H new ATOM 0 HE2 MET A 59 -7.190 -8.506 -5.871 1.00 0.00 H new ATOM 0 HE3 MET A 59 -8.719 -7.650 -5.561 1.00 0.00 H new ATOM 853 N SER A 60 -3.403 -5.651 -5.936 1.00 0.00 N ATOM 854 CA SER A 60 -2.010 -6.076 -5.876 1.00 0.00 C ATOM 855 C SER A 60 -1.098 -4.903 -5.528 1.00 0.00 C ATOM 856 O SER A 60 -1.550 -3.763 -5.422 1.00 0.00 O ATOM 857 CB SER A 60 -1.583 -6.690 -7.210 1.00 0.00 C ATOM 858 OG SER A 60 -1.940 -5.850 -8.295 1.00 0.00 O ATOM 0 H SER A 60 -3.533 -4.656 -6.121 1.00 0.00 H new ATOM 0 HA SER A 60 -1.920 -6.829 -5.093 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.505 -6.852 -7.211 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.053 -7.666 -7.332 1.00 0.00 H new ATOM 0 HG SER A 60 -1.655 -6.264 -9.136 1.00 0.00 H new ATOM 864 N ILE A 61 0.187 -5.193 -5.351 1.00 0.00 N ATOM 865 CA ILE A 61 1.162 -4.163 -5.016 1.00 0.00 C ATOM 866 C ILE A 61 2.426 -4.308 -5.858 1.00 0.00 C ATOM 867 O ILE A 61 3.249 -5.189 -5.612 1.00 0.00 O ATOM 868 CB ILE A 61 1.543 -4.212 -3.525 1.00 0.00 C ATOM 869 CG1 ILE A 61 0.349 -3.810 -2.657 1.00 0.00 C ATOM 870 CG2 ILE A 61 2.733 -3.304 -3.252 1.00 0.00 C ATOM 871 CD1 ILE A 61 0.553 -4.084 -1.184 1.00 0.00 C ATOM 0 H ILE A 61 0.576 -6.132 -5.434 1.00 0.00 H new ATOM 0 HA ILE A 61 0.693 -3.203 -5.231 1.00 0.00 H new ATOM 0 HB ILE A 61 1.825 -5.234 -3.271 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.150 -2.747 -2.796 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.536 -4.347 -2.999 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.990 -3.350 -2.194 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.585 -3.632 -3.847 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.477 -2.279 -3.519 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.333 -3.774 -0.630 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.721 -5.150 -1.032 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.418 -3.525 -0.826 1.00 0.00 H new ATOM 883 N ASN A 62 2.573 -3.437 -6.850 1.00 0.00 N ATOM 884 CA ASN A 62 3.737 -3.467 -7.727 1.00 0.00 C ATOM 885 C ASN A 62 3.901 -4.843 -8.366 1.00 0.00 C ATOM 886 O ASN A 62 5.009 -5.249 -8.714 1.00 0.00 O ATOM 887 CB ASN A 62 5.001 -3.101 -6.946 1.00 0.00 C ATOM 888 CG ASN A 62 5.221 -1.603 -6.872 1.00 0.00 C ATOM 889 OD1 ASN A 62 4.724 -0.849 -7.708 1.00 0.00 O ATOM 890 ND2 ASN A 62 5.971 -1.164 -5.867 1.00 0.00 N ATOM 0 H ASN A 62 1.900 -2.701 -7.067 1.00 0.00 H new ATOM 0 HA ASN A 62 3.583 -2.734 -8.519 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.931 -3.505 -5.936 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.865 -3.570 -7.418 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.155 -0.166 -5.766 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.363 -1.825 -5.197 1.00 0.00 H new ATOM 897 N GLY A 63 2.789 -5.555 -8.518 1.00 0.00 N ATOM 898 CA GLY A 63 2.831 -6.877 -9.116 1.00 0.00 C ATOM 899 C GLY A 63 2.766 -7.983 -8.081 1.00 0.00 C ATOM 900 O GLY A 63 3.025 -9.147 -8.388 1.00 0.00 O ATOM 0 H GLY A 63 1.860 -5.240 -8.238 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.998 -6.985 -9.811 1.00 0.00 H new ATOM 0 HA3 GLY A 63 3.747 -6.981 -9.697 1.00 0.00 H new ATOM 904 N THR A 64 2.421 -7.620 -6.849 1.00 0.00 N ATOM 905 CA THR A 64 2.326 -8.589 -5.765 1.00 0.00 C ATOM 906 C THR A 64 0.878 -8.793 -5.335 1.00 0.00 C ATOM 907 O THR A 64 0.323 -7.985 -4.590 1.00 0.00 O ATOM 908 CB THR A 64 3.156 -8.149 -4.544 1.00 0.00 C ATOM 909 OG1 THR A 64 4.521 -7.946 -4.926 1.00 0.00 O ATOM 910 CG2 THR A 64 3.083 -9.189 -3.437 1.00 0.00 C ATOM 0 H THR A 64 2.203 -6.661 -6.578 1.00 0.00 H new ATOM 0 HA THR A 64 2.724 -9.529 -6.146 1.00 0.00 H new ATOM 0 HB THR A 64 2.742 -7.213 -4.169 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.628 -7.042 -5.289 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.677 -8.856 -2.586 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.046 -9.319 -3.128 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.474 -10.138 -3.803 1.00 0.00 H new ATOM 918 N SER A 65 0.272 -9.876 -5.808 1.00 0.00 N ATOM 919 CA SER A 65 -1.114 -10.184 -5.475 1.00 0.00 C ATOM 920 C SER A 65 -1.293 -10.318 -3.965 1.00 0.00 C ATOM 921 O SER A 65 -0.481 -10.948 -3.286 1.00 0.00 O ATOM 922 CB SER A 65 -1.553 -11.476 -6.168 1.00 0.00 C ATOM 923 OG SER A 65 -1.197 -11.465 -7.539 1.00 0.00 O ATOM 0 H SER A 65 0.719 -10.556 -6.423 1.00 0.00 H new ATOM 0 HA SER A 65 -1.737 -9.362 -5.826 1.00 0.00 H new ATOM 0 HB2 SER A 65 -1.091 -12.332 -5.676 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.632 -11.597 -6.070 1.00 0.00 H new ATOM 0 HG SER A 65 -1.487 -12.302 -7.959 1.00 0.00 H new ATOM 929 N LEU A 66 -2.360 -9.721 -3.447 1.00 0.00 N ATOM 930 CA LEU A 66 -2.647 -9.772 -2.018 1.00 0.00 C ATOM 931 C LEU A 66 -3.770 -10.762 -1.723 1.00 0.00 C ATOM 932 O LEU A 66 -3.858 -11.307 -0.623 1.00 0.00 O ATOM 933 CB LEU A 66 -3.029 -8.382 -1.505 1.00 0.00 C ATOM 934 CG LEU A 66 -2.152 -7.225 -1.984 1.00 0.00 C ATOM 935 CD1 LEU A 66 -2.769 -5.891 -1.594 1.00 0.00 C ATOM 936 CD2 LEU A 66 -0.746 -7.351 -1.418 1.00 0.00 C ATOM 0 H LEU A 66 -3.041 -9.196 -3.995 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.747 -10.108 -1.503 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.058 -8.178 -1.801 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.008 -8.400 -0.415 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.089 -7.268 -3.071 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.131 -5.079 -1.943 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.755 -5.799 -2.049 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.864 -5.837 -0.509 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.136 -6.519 -1.770 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.789 -7.334 -0.329 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.303 -8.290 -1.749 1.00 0.00 H new ATOM 948 N VAL A 67 -4.625 -10.991 -2.714 1.00 0.00 N ATOM 949 CA VAL A 67 -5.741 -11.918 -2.562 1.00 0.00 C ATOM 950 C VAL A 67 -5.311 -13.178 -1.820 1.00 0.00 C ATOM 951 O VAL A 67 -4.429 -13.907 -2.273 1.00 0.00 O ATOM 952 CB VAL A 67 -6.329 -12.316 -3.929 1.00 0.00 C ATOM 953 CG1 VAL A 67 -5.221 -12.511 -4.952 1.00 0.00 C ATOM 954 CG2 VAL A 67 -7.174 -13.574 -3.798 1.00 0.00 C ATOM 0 H VAL A 67 -4.567 -10.548 -3.631 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.506 -11.401 -1.982 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.972 -11.508 -4.278 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.656 -12.792 -5.911 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.663 -11.582 -5.065 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.549 -13.300 -4.614 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.582 -13.841 -4.773 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.555 -14.391 -3.427 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.991 -13.392 -3.100 1.00 0.00 H new ATOM 964 N GLY A 68 -5.940 -13.428 -0.676 1.00 0.00 N ATOM 965 CA GLY A 68 -5.609 -14.602 0.111 1.00 0.00 C ATOM 966 C GLY A 68 -4.665 -14.286 1.254 1.00 0.00 C ATOM 967 O GLY A 68 -4.784 -14.850 2.342 1.00 0.00 O ATOM 0 H GLY A 68 -6.673 -12.839 -0.280 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.525 -15.038 0.510 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.154 -15.352 -0.535 1.00 0.00 H new ATOM 971 N LEU A 69 -3.722 -13.383 1.007 1.00 0.00 N ATOM 972 CA LEU A 69 -2.750 -12.994 2.024 1.00 0.00 C ATOM 973 C LEU A 69 -3.443 -12.348 3.220 1.00 0.00 C ATOM 974 O LEU A 69 -4.429 -11.624 3.080 1.00 0.00 O ATOM 975 CB LEU A 69 -1.723 -12.028 1.432 1.00 0.00 C ATOM 976 CG LEU A 69 -0.692 -12.642 0.484 1.00 0.00 C ATOM 977 CD1 LEU A 69 0.296 -11.586 0.014 1.00 0.00 C ATOM 978 CD2 LEU A 69 0.037 -13.793 1.162 1.00 0.00 C ATOM 0 H LEU A 69 -3.610 -12.907 0.112 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.238 -13.894 2.366 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.258 -11.244 0.896 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.191 -11.547 2.253 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.216 -13.034 -0.388 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.022 -12.041 -0.660 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.239 -10.795 -0.511 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.815 -11.164 0.875 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.767 -14.218 0.473 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.549 -13.426 2.052 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.682 -14.561 1.448 1.00 0.00 H new ATOM 990 N PRO A 70 -2.915 -12.612 4.424 1.00 0.00 N ATOM 991 CA PRO A 70 -3.465 -12.064 5.667 1.00 0.00 C ATOM 992 C PRO A 70 -3.237 -10.561 5.789 1.00 0.00 C ATOM 993 O PRO A 70 -2.333 -10.007 5.162 1.00 0.00 O ATOM 994 CB PRO A 70 -2.692 -12.812 6.757 1.00 0.00 C ATOM 995 CG PRO A 70 -1.411 -13.208 6.108 1.00 0.00 C ATOM 996 CD PRO A 70 -1.740 -13.467 4.664 1.00 0.00 C ATOM 0 HA PRO A 70 -4.546 -12.193 5.726 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -2.516 -12.176 7.625 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -3.245 -13.684 7.107 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -0.665 -12.419 6.203 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -0.994 -14.098 6.579 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.910 -13.203 4.009 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.965 -14.518 4.485 1.00 0.00 H new ATOM 1004 N LEU A 71 -4.062 -9.906 6.598 1.00 0.00 N ATOM 1005 CA LEU A 71 -3.950 -8.466 6.803 1.00 0.00 C ATOM 1006 C LEU A 71 -2.555 -8.093 7.293 1.00 0.00 C ATOM 1007 O LEU A 71 -1.998 -7.071 6.892 1.00 0.00 O ATOM 1008 CB LEU A 71 -5.001 -7.991 7.807 1.00 0.00 C ATOM 1009 CG LEU A 71 -4.900 -6.529 8.243 1.00 0.00 C ATOM 1010 CD1 LEU A 71 -5.041 -5.604 7.044 1.00 0.00 C ATOM 1011 CD2 LEU A 71 -5.956 -6.211 9.292 1.00 0.00 C ATOM 0 H LEU A 71 -4.816 -10.349 7.123 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.122 -7.973 5.846 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.988 -8.153 7.373 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.936 -8.620 8.695 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.917 -6.369 8.686 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.967 -4.568 7.373 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.248 -5.815 6.327 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.010 -5.766 6.572 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.869 -5.166 9.591 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.948 -6.388 8.875 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.809 -6.851 10.162 1.00 0.00 H new ATOM 1023 N SER A 72 -1.996 -8.929 8.162 1.00 0.00 N ATOM 1024 CA SER A 72 -0.666 -8.685 8.709 1.00 0.00 C ATOM 1025 C SER A 72 0.388 -8.712 7.607 1.00 0.00 C ATOM 1026 O SER A 72 1.286 -7.870 7.569 1.00 0.00 O ATOM 1027 CB SER A 72 -0.331 -9.730 9.776 1.00 0.00 C ATOM 1028 OG SER A 72 -1.313 -9.748 10.798 1.00 0.00 O ATOM 0 H SER A 72 -2.443 -9.781 8.502 1.00 0.00 H new ATOM 0 HA SER A 72 -0.664 -7.695 9.166 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.263 -10.716 9.316 1.00 0.00 H new ATOM 0 HB3 SER A 72 0.645 -9.512 10.209 1.00 0.00 H new ATOM 0 HG SER A 72 -1.077 -10.425 11.466 1.00 0.00 H new ATOM 1034 N THR A 73 0.272 -9.686 6.709 1.00 0.00 N ATOM 1035 CA THR A 73 1.214 -9.824 5.606 1.00 0.00 C ATOM 1036 C THR A 73 1.066 -8.680 4.609 1.00 0.00 C ATOM 1037 O THR A 73 2.026 -7.960 4.329 1.00 0.00 O ATOM 1038 CB THR A 73 1.022 -11.162 4.867 1.00 0.00 C ATOM 1039 OG1 THR A 73 1.488 -12.243 5.682 1.00 0.00 O ATOM 1040 CG2 THR A 73 1.768 -11.160 3.541 1.00 0.00 C ATOM 0 H THR A 73 -0.465 -10.391 6.725 1.00 0.00 H new ATOM 0 HA THR A 73 2.214 -9.797 6.040 1.00 0.00 H new ATOM 0 HB THR A 73 -0.041 -11.292 4.666 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.361 -13.090 5.206 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.618 -12.115 3.037 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.390 -10.354 2.912 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.832 -11.009 3.722 1.00 0.00 H new ATOM 1048 N CYS A 74 -0.140 -8.518 4.078 1.00 0.00 N ATOM 1049 CA CYS A 74 -0.414 -7.460 3.111 1.00 0.00 C ATOM 1050 C CYS A 74 0.145 -6.125 3.593 1.00 0.00 C ATOM 1051 O CYS A 74 0.706 -5.358 2.811 1.00 0.00 O ATOM 1052 CB CYS A 74 -1.919 -7.339 2.869 1.00 0.00 C ATOM 1053 SG CYS A 74 -2.699 -8.865 2.291 1.00 0.00 S ATOM 0 H CYS A 74 -0.944 -9.105 4.300 1.00 0.00 H new ATOM 0 HA CYS A 74 0.077 -7.722 2.174 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -2.401 -7.025 3.795 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -2.096 -6.553 2.135 1.00 0.00 H new ATOM 0 HG CYS A 74 -2.740 -9.727 3.263 1.00 0.00 H new ATOM 1059 N GLN A 75 -0.013 -5.855 4.885 1.00 0.00 N ATOM 1060 CA GLN A 75 0.474 -4.612 5.470 1.00 0.00 C ATOM 1061 C GLN A 75 1.985 -4.485 5.299 1.00 0.00 C ATOM 1062 O GLN A 75 2.487 -3.439 4.887 1.00 0.00 O ATOM 1063 CB GLN A 75 0.109 -4.544 6.954 1.00 0.00 C ATOM 1064 CG GLN A 75 -1.327 -4.116 7.208 1.00 0.00 C ATOM 1065 CD GLN A 75 -1.631 -3.939 8.683 1.00 0.00 C ATOM 1066 OE1 GLN A 75 -0.921 -4.463 9.542 1.00 0.00 O ATOM 1067 NE2 GLN A 75 -2.690 -3.197 8.985 1.00 0.00 N ATOM 0 H GLN A 75 -0.474 -6.480 5.546 1.00 0.00 H new ATOM 0 HA GLN A 75 -0.003 -3.783 4.948 1.00 0.00 H new ATOM 0 HB2 GLN A 75 0.273 -5.523 7.405 1.00 0.00 H new ATOM 0 HB3 GLN A 75 0.781 -3.846 7.453 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -1.521 -3.179 6.686 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -2.004 -4.860 6.788 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -3.251 -2.782 8.241 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -2.943 -3.042 9.961 1.00 0.00 H new ATOM 1076 N SER A 76 2.703 -5.556 5.620 1.00 0.00 N ATOM 1077 CA SER A 76 4.157 -5.563 5.506 1.00 0.00 C ATOM 1078 C SER A 76 4.595 -5.136 4.108 1.00 0.00 C ATOM 1079 O SER A 76 5.456 -4.270 3.953 1.00 0.00 O ATOM 1080 CB SER A 76 4.708 -6.954 5.823 1.00 0.00 C ATOM 1081 OG SER A 76 6.020 -6.875 6.354 1.00 0.00 O ATOM 0 H SER A 76 2.302 -6.430 5.961 1.00 0.00 H new ATOM 0 HA SER A 76 4.556 -4.849 6.226 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.053 -7.454 6.537 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.715 -7.561 4.918 1.00 0.00 H new ATOM 0 HG SER A 76 6.349 -7.777 6.550 1.00 0.00 H new ATOM 1087 N ILE A 77 3.995 -5.751 3.094 1.00 0.00 N ATOM 1088 CA ILE A 77 4.321 -5.435 1.709 1.00 0.00 C ATOM 1089 C ILE A 77 4.192 -3.939 1.441 1.00 0.00 C ATOM 1090 O ILE A 77 4.929 -3.378 0.630 1.00 0.00 O ATOM 1091 CB ILE A 77 3.414 -6.201 0.728 1.00 0.00 C ATOM 1092 CG1 ILE A 77 3.489 -7.705 0.999 1.00 0.00 C ATOM 1093 CG2 ILE A 77 3.810 -5.895 -0.709 1.00 0.00 C ATOM 1094 CD1 ILE A 77 2.236 -8.453 0.601 1.00 0.00 C ATOM 0 H ILE A 77 3.281 -6.471 3.206 1.00 0.00 H new ATOM 0 HA ILE A 77 5.355 -5.742 1.551 1.00 0.00 H new ATOM 0 HB ILE A 77 2.385 -5.875 0.877 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.339 -8.122 0.458 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.677 -7.866 2.061 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.160 -6.444 -1.390 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.710 -4.826 -0.894 1.00 0.00 H new ATOM 0 HG23 ILE A 77 4.845 -6.196 -0.873 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.360 -9.513 0.821 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.386 -8.063 1.161 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.058 -8.323 -0.466 1.00 0.00 H new ATOM 1106 N ILE A 78 3.252 -3.300 2.130 1.00 0.00 N ATOM 1107 CA ILE A 78 3.029 -1.868 1.968 1.00 0.00 C ATOM 1108 C ILE A 78 4.071 -1.059 2.733 1.00 0.00 C ATOM 1109 O ILE A 78 4.325 0.103 2.418 1.00 0.00 O ATOM 1110 CB ILE A 78 1.624 -1.460 2.449 1.00 0.00 C ATOM 1111 CG1 ILE A 78 0.551 -2.180 1.630 1.00 0.00 C ATOM 1112 CG2 ILE A 78 1.448 0.048 2.353 1.00 0.00 C ATOM 1113 CD1 ILE A 78 -0.767 -2.328 2.357 1.00 0.00 C ATOM 0 H ILE A 78 2.634 -3.750 2.805 1.00 0.00 H new ATOM 0 HA ILE A 78 3.117 -1.653 0.903 1.00 0.00 H new ATOM 0 HB ILE A 78 1.515 -1.753 3.493 1.00 0.00 H new ATOM 0 HG12 ILE A 78 0.385 -1.632 0.702 1.00 0.00 H new ATOM 0 HG13 ILE A 78 0.918 -3.169 1.355 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.450 0.320 2.696 1.00 0.00 H new ATOM 0 HG22 ILE A 78 2.194 0.542 2.976 1.00 0.00 H new ATOM 0 HG23 ILE A 78 1.574 0.364 1.317 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -1.480 -2.847 1.716 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -0.616 -2.902 3.271 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.157 -1.342 2.608 1.00 0.00 H new ATOM 1125 N LYS A 79 4.673 -1.683 3.740 1.00 0.00 N ATOM 1126 CA LYS A 79 5.691 -1.024 4.549 1.00 0.00 C ATOM 1127 C LYS A 79 7.006 -0.912 3.784 1.00 0.00 C ATOM 1128 O LYS A 79 7.825 -0.037 4.063 1.00 0.00 O ATOM 1129 CB LYS A 79 5.911 -1.792 5.854 1.00 0.00 C ATOM 1130 CG LYS A 79 4.931 -1.419 6.953 1.00 0.00 C ATOM 1131 CD LYS A 79 4.953 -2.430 8.087 1.00 0.00 C ATOM 1132 CE LYS A 79 3.779 -2.232 9.033 1.00 0.00 C ATOM 1133 NZ LYS A 79 4.099 -1.264 10.119 1.00 0.00 N ATOM 0 H LYS A 79 4.473 -2.645 4.015 1.00 0.00 H new ATOM 0 HA LYS A 79 5.340 -0.019 4.781 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.831 -2.861 5.655 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.926 -1.609 6.207 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.177 -0.431 7.341 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.925 -1.357 6.539 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.925 -3.439 7.677 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.887 -2.337 8.641 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.916 -1.875 8.471 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.500 -3.190 9.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 3.274 -1.156 10.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.907 -1.617 10.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.341 -0.342 9.702 1.00 0.00 H new ATOM 1147 N GLY A 80 7.201 -1.804 2.818 1.00 0.00 N ATOM 1148 CA GLY A 80 8.418 -1.786 2.027 1.00 0.00 C ATOM 1149 C GLY A 80 8.348 -0.803 0.876 1.00 0.00 C ATOM 1150 O GLY A 80 9.035 -0.966 -0.133 1.00 0.00 O ATOM 0 H GLY A 80 6.539 -2.539 2.569 1.00 0.00 H new ATOM 0 HA2 GLY A 80 9.261 -1.529 2.669 1.00 0.00 H new ATOM 0 HA3 GLY A 80 8.608 -2.785 1.636 1.00 0.00 H new ATOM 1154 N LEU A 81 7.514 0.220 1.024 1.00 0.00 N ATOM 1155 CA LEU A 81 7.354 1.234 -0.013 1.00 0.00 C ATOM 1156 C LEU A 81 7.898 2.580 0.453 1.00 0.00 C ATOM 1157 O LEU A 81 7.857 3.567 -0.282 1.00 0.00 O ATOM 1158 CB LEU A 81 5.880 1.371 -0.397 1.00 0.00 C ATOM 1159 CG LEU A 81 5.101 0.064 -0.550 1.00 0.00 C ATOM 1160 CD1 LEU A 81 3.677 0.341 -1.005 1.00 0.00 C ATOM 1161 CD2 LEU A 81 5.805 -0.864 -1.529 1.00 0.00 C ATOM 0 H LEU A 81 6.938 0.370 1.852 1.00 0.00 H new ATOM 0 HA LEU A 81 7.922 0.917 -0.887 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.384 1.980 0.359 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.820 1.919 -1.338 1.00 0.00 H new ATOM 0 HG LEU A 81 5.060 -0.428 0.422 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.138 -0.601 -1.108 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.175 0.967 -0.268 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.696 0.856 -1.966 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.237 -1.789 -1.626 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.877 -0.379 -2.502 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.806 -1.090 -1.161 1.00 0.00 H new ATOM 1173 N LYS A 82 8.408 2.614 1.680 1.00 0.00 N ATOM 1174 CA LYS A 82 8.964 3.838 2.245 1.00 0.00 C ATOM 1175 C LYS A 82 10.177 4.304 1.445 1.00 0.00 C ATOM 1176 O LYS A 82 10.323 5.491 1.159 1.00 0.00 O ATOM 1177 CB LYS A 82 9.358 3.616 3.707 1.00 0.00 C ATOM 1178 CG LYS A 82 10.251 4.709 4.268 1.00 0.00 C ATOM 1179 CD LYS A 82 10.913 4.276 5.566 1.00 0.00 C ATOM 1180 CE LYS A 82 10.023 4.557 6.767 1.00 0.00 C ATOM 1181 NZ LYS A 82 10.805 4.630 8.032 1.00 0.00 N ATOM 0 H LYS A 82 8.448 1.807 2.302 1.00 0.00 H new ATOM 0 HA LYS A 82 8.199 4.612 2.195 1.00 0.00 H new ATOM 0 HB2 LYS A 82 8.454 3.550 4.312 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.871 2.658 3.795 1.00 0.00 H new ATOM 0 HG2 LYS A 82 11.017 4.966 3.536 1.00 0.00 H new ATOM 0 HG3 LYS A 82 9.661 5.609 4.442 1.00 0.00 H new ATOM 0 HD2 LYS A 82 11.141 3.211 5.522 1.00 0.00 H new ATOM 0 HD3 LYS A 82 11.861 4.800 5.684 1.00 0.00 H new ATOM 0 HE2 LYS A 82 9.492 5.497 6.614 1.00 0.00 H new ATOM 0 HE3 LYS A 82 9.269 3.775 6.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.162 4.823 8.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 11.292 3.725 8.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 11.508 5.393 7.962 1.00 0.00 H new ATOM 1195 N ASN A 83 11.042 3.361 1.087 1.00 0.00 N ATOM 1196 CA ASN A 83 12.242 3.676 0.320 1.00 0.00 C ATOM 1197 C ASN A 83 11.941 3.696 -1.176 1.00 0.00 C ATOM 1198 O ASN A 83 12.853 3.670 -2.002 1.00 0.00 O ATOM 1199 CB ASN A 83 13.344 2.658 0.617 1.00 0.00 C ATOM 1200 CG ASN A 83 14.731 3.220 0.370 1.00 0.00 C ATOM 1201 OD1 ASN A 83 15.657 2.928 1.277 1.00 0.00 O flip ATOM 1202 ND2 ASN A 83 14.967 3.908 -0.623 1.00 0.00 N flip ATOM 0 H ASN A 83 10.935 2.373 1.315 1.00 0.00 H new ATOM 0 HA ASN A 83 12.584 4.667 0.617 1.00 0.00 H new ATOM 0 HB2 ASN A 83 13.266 2.334 1.655 1.00 0.00 H new ATOM 0 HB3 ASN A 83 13.197 1.775 -0.005 1.00 0.00 H new ATOM 0 HD21 ASN A 83 14.225 4.107 -1.294 1.00 0.00 H new ATOM 0 HD22 ASN A 83 15.905 4.279 -0.775 1.00 0.00 H new ATOM 1209 N GLN A 84 10.657 3.741 -1.515 1.00 0.00 N ATOM 1210 CA GLN A 84 10.237 3.763 -2.911 1.00 0.00 C ATOM 1211 C GLN A 84 9.420 5.016 -3.214 1.00 0.00 C ATOM 1212 O GLN A 84 8.217 5.061 -2.957 1.00 0.00 O ATOM 1213 CB GLN A 84 9.417 2.514 -3.240 1.00 0.00 C ATOM 1214 CG GLN A 84 10.056 1.223 -2.755 1.00 0.00 C ATOM 1215 CD GLN A 84 9.711 0.036 -3.632 1.00 0.00 C ATOM 1216 OE1 GLN A 84 8.895 0.142 -4.548 1.00 0.00 O ATOM 1217 NE2 GLN A 84 10.333 -1.105 -3.356 1.00 0.00 N ATOM 0 H GLN A 84 9.890 3.763 -0.843 1.00 0.00 H new ATOM 0 HA GLN A 84 11.132 3.775 -3.533 1.00 0.00 H new ATOM 0 HB2 GLN A 84 8.428 2.611 -2.793 1.00 0.00 H new ATOM 0 HB3 GLN A 84 9.275 2.456 -4.319 1.00 0.00 H new ATOM 0 HG2 GLN A 84 11.139 1.346 -2.726 1.00 0.00 H new ATOM 0 HG3 GLN A 84 9.731 1.022 -1.734 1.00 0.00 H new ATOM 0 HE21 GLN A 84 11.002 -1.148 -2.587 1.00 0.00 H new ATOM 0 HE22 GLN A 84 10.141 -1.938 -3.913 1.00 0.00 H new ATOM 1226 N SER A 85 10.082 6.030 -3.761 1.00 0.00 N ATOM 1227 CA SER A 85 9.419 7.285 -4.094 1.00 0.00 C ATOM 1228 C SER A 85 8.127 7.028 -4.865 1.00 0.00 C ATOM 1229 O SER A 85 7.043 7.412 -4.425 1.00 0.00 O ATOM 1230 CB SER A 85 10.350 8.175 -4.920 1.00 0.00 C ATOM 1231 OG SER A 85 10.742 7.530 -6.119 1.00 0.00 O ATOM 0 H SER A 85 11.077 6.007 -3.983 1.00 0.00 H new ATOM 0 HA SER A 85 9.172 7.795 -3.163 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.847 9.113 -5.156 1.00 0.00 H new ATOM 0 HB3 SER A 85 11.233 8.426 -4.333 1.00 0.00 H new ATOM 0 HG SER A 85 11.335 8.120 -6.629 1.00 0.00 H new ATOM 1237 N ARG A 86 8.252 6.377 -6.016 1.00 0.00 N ATOM 1238 CA ARG A 86 7.096 6.069 -6.849 1.00 0.00 C ATOM 1239 C ARG A 86 6.729 4.592 -6.746 1.00 0.00 C ATOM 1240 O ARG A 86 7.522 3.718 -7.096 1.00 0.00 O ATOM 1241 CB ARG A 86 7.379 6.434 -8.307 1.00 0.00 C ATOM 1242 CG ARG A 86 6.244 6.083 -9.255 1.00 0.00 C ATOM 1243 CD ARG A 86 6.366 6.833 -10.572 1.00 0.00 C ATOM 1244 NE ARG A 86 7.195 6.115 -11.536 1.00 0.00 N ATOM 1245 CZ ARG A 86 8.522 6.185 -11.560 1.00 0.00 C ATOM 1246 NH1 ARG A 86 9.165 6.936 -10.677 1.00 0.00 N ATOM 1247 NH2 ARG A 86 9.207 5.502 -12.469 1.00 0.00 N ATOM 0 H ARG A 86 9.142 6.052 -6.393 1.00 0.00 H new ATOM 0 HA ARG A 86 6.254 6.661 -6.490 1.00 0.00 H new ATOM 0 HB2 ARG A 86 7.578 7.504 -8.373 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.284 5.921 -8.632 1.00 0.00 H new ATOM 0 HG2 ARG A 86 6.246 5.010 -9.445 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.290 6.322 -8.786 1.00 0.00 H new ATOM 0 HD2 ARG A 86 5.373 6.989 -10.993 1.00 0.00 H new ATOM 0 HD3 ARG A 86 6.794 7.819 -10.389 1.00 0.00 H new ATOM 0 HE ARG A 86 6.730 5.528 -12.229 1.00 0.00 H new ATOM 0 HH11 ARG A 86 8.641 7.462 -9.977 1.00 0.00 H new ATOM 0 HH12 ARG A 86 10.183 6.988 -10.697 1.00 0.00 H new ATOM 0 HH21 ARG A 86 8.715 4.923 -13.150 1.00 0.00 H new ATOM 0 HH22 ARG A 86 10.225 5.556 -12.487 1.00 0.00 H new ATOM 1261 N VAL A 87 5.521 4.320 -6.262 1.00 0.00 N ATOM 1262 CA VAL A 87 5.048 2.948 -6.113 1.00 0.00 C ATOM 1263 C VAL A 87 3.763 2.722 -6.901 1.00 0.00 C ATOM 1264 O VAL A 87 2.884 3.583 -6.938 1.00 0.00 O ATOM 1265 CB VAL A 87 4.799 2.598 -4.634 1.00 0.00 C ATOM 1266 CG1 VAL A 87 4.566 1.104 -4.471 1.00 0.00 C ATOM 1267 CG2 VAL A 87 5.966 3.061 -3.774 1.00 0.00 C ATOM 0 H VAL A 87 4.852 5.031 -5.966 1.00 0.00 H new ATOM 0 HA VAL A 87 5.830 2.298 -6.505 1.00 0.00 H new ATOM 0 HB VAL A 87 3.902 3.120 -4.301 1.00 0.00 H new ATOM 0 HG11 VAL A 87 4.392 0.875 -3.420 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.696 0.805 -5.056 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.443 0.559 -4.820 1.00 0.00 H new ATOM 0 HG21 VAL A 87 5.774 2.806 -2.732 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.880 2.568 -4.105 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.081 4.141 -3.868 1.00 0.00 H new ATOM 1277 N LYS A 88 3.659 1.556 -7.530 1.00 0.00 N ATOM 1278 CA LYS A 88 2.480 1.213 -8.316 1.00 0.00 C ATOM 1279 C LYS A 88 1.603 0.210 -7.573 1.00 0.00 C ATOM 1280 O LYS A 88 2.086 -0.817 -7.093 1.00 0.00 O ATOM 1281 CB LYS A 88 2.896 0.636 -9.672 1.00 0.00 C ATOM 1282 CG LYS A 88 1.742 0.042 -10.460 1.00 0.00 C ATOM 1283 CD LYS A 88 2.219 -0.586 -11.759 1.00 0.00 C ATOM 1284 CE LYS A 88 1.229 -1.619 -12.275 1.00 0.00 C ATOM 1285 NZ LYS A 88 1.267 -1.731 -13.759 1.00 0.00 N ATOM 0 H LYS A 88 4.378 0.832 -7.511 1.00 0.00 H new ATOM 0 HA LYS A 88 1.904 2.124 -8.476 1.00 0.00 H new ATOM 0 HB2 LYS A 88 3.363 1.423 -10.265 1.00 0.00 H new ATOM 0 HB3 LYS A 88 3.651 -0.134 -9.514 1.00 0.00 H new ATOM 0 HG2 LYS A 88 1.236 -0.711 -9.855 1.00 0.00 H new ATOM 0 HG3 LYS A 88 1.010 0.820 -10.678 1.00 0.00 H new ATOM 0 HD2 LYS A 88 2.360 0.191 -12.510 1.00 0.00 H new ATOM 0 HD3 LYS A 88 3.189 -1.057 -11.602 1.00 0.00 H new ATOM 0 HE2 LYS A 88 1.453 -2.589 -11.832 1.00 0.00 H new ATOM 0 HE3 LYS A 88 0.222 -1.348 -11.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.578 -2.445 -14.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 1.029 -0.812 -14.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 2.221 -2.015 -14.061 1.00 0.00 H new ATOM 1299 N LEU A 89 0.313 0.512 -7.483 1.00 0.00 N ATOM 1300 CA LEU A 89 -0.633 -0.364 -6.800 1.00 0.00 C ATOM 1301 C LEU A 89 -1.983 -0.368 -7.510 1.00 0.00 C ATOM 1302 O LEU A 89 -2.431 0.659 -8.017 1.00 0.00 O ATOM 1303 CB LEU A 89 -0.810 0.079 -5.346 1.00 0.00 C ATOM 1304 CG LEU A 89 0.396 0.765 -4.702 1.00 0.00 C ATOM 1305 CD1 LEU A 89 -0.057 1.747 -3.633 1.00 0.00 C ATOM 1306 CD2 LEU A 89 1.344 -0.268 -4.112 1.00 0.00 C ATOM 0 H LEU A 89 -0.103 1.357 -7.875 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.231 -1.377 -6.819 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.660 0.760 -5.295 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.067 -0.796 -4.749 1.00 0.00 H new ATOM 0 HG LEU A 89 0.930 1.320 -5.474 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.814 2.226 -3.186 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.696 2.506 -4.084 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.614 1.214 -2.862 1.00 0.00 H new ATOM 0 HD21 LEU A 89 2.196 0.238 -3.658 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.821 -0.850 -3.353 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.695 -0.933 -4.901 1.00 0.00 H new ATOM 1318 N ASN A 90 -2.626 -1.531 -7.540 1.00 0.00 N ATOM 1319 CA ASN A 90 -3.926 -1.668 -8.187 1.00 0.00 C ATOM 1320 C ASN A 90 -5.056 -1.526 -7.172 1.00 0.00 C ATOM 1321 O ASN A 90 -5.134 -2.284 -6.205 1.00 0.00 O ATOM 1322 CB ASN A 90 -4.027 -3.022 -8.893 1.00 0.00 C ATOM 1323 CG ASN A 90 -5.031 -3.008 -10.028 1.00 0.00 C ATOM 1324 OD1 ASN A 90 -5.967 -2.068 -9.979 1.00 0.00 O flip ATOM 1325 ND2 ASN A 90 -4.966 -3.834 -10.940 1.00 0.00 N flip ATOM 0 H ASN A 90 -2.269 -2.391 -7.124 1.00 0.00 H new ATOM 0 HA ASN A 90 -4.022 -0.872 -8.926 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.047 -3.300 -9.282 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -4.311 -3.786 -8.169 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -4.229 -4.539 -10.938 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -5.649 -3.812 -11.697 1.00 0.00 H new ATOM 1332 N ILE A 91 -5.929 -0.550 -7.400 1.00 0.00 N ATOM 1333 CA ILE A 91 -7.055 -0.310 -6.507 1.00 0.00 C ATOM 1334 C ILE A 91 -8.375 -0.682 -7.174 1.00 0.00 C ATOM 1335 O ILE A 91 -8.514 -0.589 -8.394 1.00 0.00 O ATOM 1336 CB ILE A 91 -7.116 1.163 -6.061 1.00 0.00 C ATOM 1337 CG1 ILE A 91 -5.777 1.591 -5.456 1.00 0.00 C ATOM 1338 CG2 ILE A 91 -8.244 1.368 -5.061 1.00 0.00 C ATOM 1339 CD1 ILE A 91 -5.455 0.899 -4.150 1.00 0.00 C ATOM 0 H ILE A 91 -5.878 0.087 -8.195 1.00 0.00 H new ATOM 0 HA ILE A 91 -6.903 -0.941 -5.631 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.314 1.784 -6.935 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.982 1.385 -6.172 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.789 2.669 -5.293 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -8.274 2.414 -4.756 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -9.193 1.098 -5.523 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -8.074 0.739 -4.187 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -4.492 1.251 -3.779 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -6.230 1.125 -3.418 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -5.410 -0.178 -4.310 1.00 0.00 H new ATOM 1351 N VAL A 92 -9.343 -1.102 -6.366 1.00 0.00 N ATOM 1352 CA VAL A 92 -10.653 -1.485 -6.877 1.00 0.00 C ATOM 1353 C VAL A 92 -11.757 -1.117 -5.891 1.00 0.00 C ATOM 1354 O VAL A 92 -11.892 -1.736 -4.835 1.00 0.00 O ATOM 1355 CB VAL A 92 -10.723 -2.997 -7.167 1.00 0.00 C ATOM 1356 CG1 VAL A 92 -12.115 -3.386 -7.640 1.00 0.00 C ATOM 1357 CG2 VAL A 92 -9.672 -3.390 -8.195 1.00 0.00 C ATOM 0 H VAL A 92 -9.244 -1.186 -5.354 1.00 0.00 H new ATOM 0 HA VAL A 92 -10.802 -0.937 -7.807 1.00 0.00 H new ATOM 0 HB VAL A 92 -10.516 -3.537 -6.243 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -12.145 -4.457 -7.840 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -12.844 -3.140 -6.867 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -12.355 -2.840 -8.552 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -9.735 -4.461 -8.389 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -9.847 -2.843 -9.121 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.680 -3.148 -7.812 1.00 0.00 H new ATOM 1367 N SER A 93 -12.545 -0.107 -6.244 1.00 0.00 N ATOM 1368 CA SER A 93 -13.635 0.347 -5.389 1.00 0.00 C ATOM 1369 C SER A 93 -14.309 -0.834 -4.696 1.00 0.00 C ATOM 1370 O SER A 93 -14.920 -1.682 -5.344 1.00 0.00 O ATOM 1371 CB SER A 93 -14.665 1.126 -6.209 1.00 0.00 C ATOM 1372 OG SER A 93 -15.905 1.206 -5.528 1.00 0.00 O ATOM 0 H SER A 93 -12.449 0.413 -7.116 1.00 0.00 H new ATOM 0 HA SER A 93 -13.216 1.004 -4.627 1.00 0.00 H new ATOM 0 HB2 SER A 93 -14.291 2.130 -6.409 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.808 0.641 -7.175 1.00 0.00 H new ATOM 0 HG SER A 93 -16.545 1.710 -6.073 1.00 0.00 H new ATOM 1378 N GLY A 94 -14.192 -0.880 -3.372 1.00 0.00 N ATOM 1379 CA GLY A 94 -14.794 -1.960 -2.612 1.00 0.00 C ATOM 1380 C GLY A 94 -16.300 -2.014 -2.775 1.00 0.00 C ATOM 1381 O GLY A 94 -16.864 -1.464 -3.721 1.00 0.00 O ATOM 0 H GLY A 94 -13.692 -0.189 -2.813 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -14.363 -2.909 -2.931 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -14.550 -1.838 -1.557 1.00 0.00 H new