USER MOD reduce.3.24.130724 H: found=0, std=0, add=1033, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1029 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 59 HIS : no HD1:sc= -6.23! C(o=-4.3!,f=-7.1!) USER MOD Set 1.2: A 92 HIS : no HD1:sc= 0.892 K(o=-4.3,f=-9.6!) USER MOD Set 1.3: A 100 SER OG : rot -167:sc= 1.08 USER MOD Single : A 1 GLU N :NH3+ 177:sc= -2.5! (180deg=-2.63!) USER MOD Single : A 2 HIS : no HD1:sc= -0.294 X(o=-0.29,f=-0.62) USER MOD Single : A 7 LYS NZ :NH3+ -157:sc= -0.0425 (180deg=-0.653) USER MOD Single : A 10 LYS NZ :NH3+ -172:sc= -0.555 (180deg=-0.963) USER MOD Single : A 15 GLN :FLIP amide:sc= -3.72! C(o=-5.3!,f=-3.7!) USER MOD Single : A 21 LYS NZ :NH3+ -135:sc= -0.186 (180deg=-1.64!) USER MOD Single : A 29 THR OG1 : rot 89:sc= -0.596! USER MOD Single : A 30 ASN :FLIP amide:sc= -0.0992 F(o=-1.6!,f=-0.099) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -60:sc= -3.63! USER MOD Single : A 41 TYR OH : rot 180:sc= -0.545 USER MOD Single : A 45 LYS NZ :NH3+ 164:sc= 0.222 (180deg=0.146) USER MOD Single : A 46 THR OG1 : rot 180:sc= -1.37 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 51 ASN : amide:sc= -0.48 K(o=-0.48,f=-4.7!) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0.028) USER MOD Single : A 55 GLN : amide:sc= -0.0819 K(o=-0.082,f=-1.9!) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.186 USER MOD Single : A 60 TYR OH : rot 180:sc= -0.945 USER MOD Single : A 64 ASN : amide:sc= -0.0713 X(o=-0.071,f=-0.13) USER MOD Single : A 66 CYS SG : rot -100:sc= -5.41! USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.11 K(o=-0.11,f=-1.3!) USER MOD Single : A 71 SER OG : rot -94:sc= -0.548 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -0.344 X(o=-0.34,f=-0.42) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 ASN :FLIP amide:sc= -0.998! C(o=-2.2!,f=-1!) USER MOD Single : A 91 GLN : amide:sc= -3.42! C(o=-3.4!,f=-6.3!) USER MOD Single : A 96 GLN :FLIP amide:sc= -0.0847 F(o=-1.6!,f=-0.085) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00658) USER MOD Single : A 109 SER OG : rot -47:sc= 0.346 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 TYR OH : rot 170:sc= -0.426 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 HIS : no HD1:sc= -0.439 K(o=-0.44,f=-3.2!) USER MOD Single : A 128 ASN : amide:sc= 0 X(o=0,f=0.44) USER MOD Single : A 133 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 101.097 -1.341 13.946 1.00 0.00 N ATOM 2 CA GLU A 1 102.048 -1.394 15.093 1.00 0.00 C ATOM 3 C GLU A 1 102.481 -2.842 15.330 1.00 0.00 C ATOM 4 O GLU A 1 103.034 -3.173 16.359 1.00 0.00 O ATOM 5 CB GLU A 1 101.362 -0.854 16.351 1.00 0.00 C ATOM 6 CG GLU A 1 101.299 0.673 16.284 1.00 0.00 C ATOM 7 CD GLU A 1 100.282 1.187 17.304 1.00 0.00 C ATOM 8 OE1 GLU A 1 99.153 0.723 17.271 1.00 0.00 O ATOM 9 OE2 GLU A 1 100.646 2.036 18.100 1.00 0.00 O ATOM 0 H1 GLU A 1 100.763 -0.365 13.817 1.00 0.00 H new ATOM 0 H2 GLU A 1 101.578 -1.660 13.081 1.00 0.00 H new ATOM 0 H3 GLU A 1 100.285 -1.962 14.139 1.00 0.00 H new ATOM 0 HA GLU A 1 102.923 -0.785 14.867 1.00 0.00 H new ATOM 0 HB2 GLU A 1 100.357 -1.266 16.435 1.00 0.00 H new ATOM 0 HB3 GLU A 1 101.910 -1.167 17.240 1.00 0.00 H new ATOM 0 HG2 GLU A 1 102.282 1.097 16.489 1.00 0.00 H new ATOM 0 HG3 GLU A 1 101.017 0.992 15.281 1.00 0.00 H new ATOM 18 N HIS A 2 102.233 -3.707 14.385 1.00 0.00 N ATOM 19 CA HIS A 2 102.631 -5.133 14.559 1.00 0.00 C ATOM 20 C HIS A 2 102.306 -5.912 13.278 1.00 0.00 C ATOM 21 O HIS A 2 101.189 -6.352 13.082 1.00 0.00 O ATOM 22 CB HIS A 2 101.856 -5.736 15.738 1.00 0.00 C ATOM 23 CG HIS A 2 102.764 -6.632 16.536 1.00 0.00 C ATOM 24 ND1 HIS A 2 103.889 -7.226 15.982 1.00 0.00 N ATOM 25 CD2 HIS A 2 102.728 -7.043 17.846 1.00 0.00 C ATOM 26 CE1 HIS A 2 104.480 -7.955 16.948 1.00 0.00 C ATOM 27 NE2 HIS A 2 103.811 -7.877 18.100 1.00 0.00 N ATOM 0 H HIS A 2 101.773 -3.489 13.501 1.00 0.00 H new ATOM 0 HA HIS A 2 103.701 -5.194 14.758 1.00 0.00 H new ATOM 0 HB2 HIS A 2 101.464 -4.941 16.373 1.00 0.00 H new ATOM 0 HB3 HIS A 2 101.000 -6.303 15.371 1.00 0.00 H new ATOM 0 HD2 HIS A 2 101.975 -6.762 18.567 1.00 0.00 H new ATOM 0 HE1 HIS A 2 105.383 -8.531 16.808 1.00 0.00 H new ATOM 0 HE2 HIS A 2 104.045 -8.333 18.982 1.00 0.00 H new ATOM 35 N PRO A 3 103.271 -6.081 12.411 1.00 0.00 N ATOM 36 CA PRO A 3 103.078 -6.818 11.128 1.00 0.00 C ATOM 37 C PRO A 3 102.378 -8.164 11.336 1.00 0.00 C ATOM 38 O PRO A 3 103.012 -9.177 11.559 1.00 0.00 O ATOM 39 CB PRO A 3 104.502 -7.025 10.611 1.00 0.00 C ATOM 40 CG PRO A 3 105.307 -5.925 11.217 1.00 0.00 C ATOM 41 CD PRO A 3 104.651 -5.590 12.557 1.00 0.00 C ATOM 0 HA PRO A 3 102.441 -6.269 10.434 1.00 0.00 H new ATOM 0 HB2 PRO A 3 104.888 -8.001 10.903 1.00 0.00 H new ATOM 0 HB3 PRO A 3 104.535 -6.982 9.522 1.00 0.00 H new ATOM 0 HG2 PRO A 3 106.342 -6.236 11.359 1.00 0.00 H new ATOM 0 HG3 PRO A 3 105.323 -5.052 10.565 1.00 0.00 H new ATOM 0 HD2 PRO A 3 105.163 -6.079 13.385 1.00 0.00 H new ATOM 0 HD3 PRO A 3 104.674 -4.519 12.756 1.00 0.00 H new ATOM 49 N GLU A 4 101.076 -8.181 11.271 1.00 0.00 N ATOM 50 CA GLU A 4 100.332 -9.457 11.472 1.00 0.00 C ATOM 51 C GLU A 4 100.291 -10.250 10.164 1.00 0.00 C ATOM 52 O GLU A 4 100.497 -11.448 10.146 1.00 0.00 O ATOM 53 CB GLU A 4 98.905 -9.150 11.924 1.00 0.00 C ATOM 54 CG GLU A 4 98.195 -10.453 12.295 1.00 0.00 C ATOM 55 CD GLU A 4 97.026 -10.148 13.235 1.00 0.00 C ATOM 56 OE1 GLU A 4 97.250 -9.479 14.229 1.00 0.00 O ATOM 57 OE2 GLU A 4 95.927 -10.590 12.943 1.00 0.00 O ATOM 0 H GLU A 4 100.493 -7.364 11.087 1.00 0.00 H new ATOM 0 HA GLU A 4 100.839 -10.049 12.234 1.00 0.00 H new ATOM 0 HB2 GLU A 4 98.921 -8.476 12.780 1.00 0.00 H new ATOM 0 HB3 GLU A 4 98.362 -8.641 11.128 1.00 0.00 H new ATOM 0 HG2 GLU A 4 97.832 -10.951 11.396 1.00 0.00 H new ATOM 0 HG3 GLU A 4 98.894 -11.136 12.777 1.00 0.00 H new ATOM 64 N PHE A 5 100.023 -9.595 9.070 1.00 0.00 N ATOM 65 CA PHE A 5 99.962 -10.320 7.768 1.00 0.00 C ATOM 66 C PHE A 5 101.211 -11.191 7.611 1.00 0.00 C ATOM 67 O PHE A 5 101.185 -12.215 6.959 1.00 0.00 O ATOM 68 CB PHE A 5 99.893 -9.311 6.612 1.00 0.00 C ATOM 69 CG PHE A 5 98.451 -8.977 6.295 1.00 0.00 C ATOM 70 CD1 PHE A 5 98.038 -7.639 6.255 1.00 0.00 C ATOM 71 CD2 PHE A 5 97.526 -10.000 6.039 1.00 0.00 C ATOM 72 CE1 PHE A 5 96.705 -7.325 5.964 1.00 0.00 C ATOM 73 CE2 PHE A 5 96.195 -9.682 5.747 1.00 0.00 C ATOM 74 CZ PHE A 5 95.786 -8.346 5.713 1.00 0.00 C ATOM 0 H PHE A 5 99.844 -8.592 9.019 1.00 0.00 H new ATOM 0 HA PHE A 5 99.072 -10.949 7.749 1.00 0.00 H new ATOM 0 HB2 PHE A 5 100.434 -8.403 6.879 1.00 0.00 H new ATOM 0 HB3 PHE A 5 100.381 -9.724 5.729 1.00 0.00 H new ATOM 0 HD1 PHE A 5 98.748 -6.849 6.449 1.00 0.00 H new ATOM 0 HD2 PHE A 5 97.841 -11.033 6.067 1.00 0.00 H new ATOM 0 HE1 PHE A 5 96.387 -6.293 5.934 1.00 0.00 H new ATOM 0 HE2 PHE A 5 95.483 -10.469 5.548 1.00 0.00 H new ATOM 0 HZ PHE A 5 94.757 -8.103 5.492 1.00 0.00 H new ATOM 84 N LEU A 6 102.303 -10.794 8.203 1.00 0.00 N ATOM 85 CA LEU A 6 103.551 -11.601 8.084 1.00 0.00 C ATOM 86 C LEU A 6 103.442 -12.847 8.964 1.00 0.00 C ATOM 87 O LEU A 6 104.026 -13.874 8.677 1.00 0.00 O ATOM 88 CB LEU A 6 104.746 -10.760 8.537 1.00 0.00 C ATOM 89 CG LEU A 6 104.632 -9.353 7.947 1.00 0.00 C ATOM 90 CD1 LEU A 6 105.955 -8.610 8.138 1.00 0.00 C ATOM 91 CD2 LEU A 6 104.316 -9.454 6.452 1.00 0.00 C ATOM 0 H LEU A 6 102.386 -9.946 8.764 1.00 0.00 H new ATOM 0 HA LEU A 6 103.690 -11.902 7.046 1.00 0.00 H new ATOM 0 HB2 LEU A 6 104.776 -10.708 9.625 1.00 0.00 H new ATOM 0 HB3 LEU A 6 105.676 -11.227 8.214 1.00 0.00 H new ATOM 0 HG LEU A 6 103.834 -8.809 8.454 1.00 0.00 H new ATOM 0 HD11 LEU A 6 105.873 -7.608 7.718 1.00 0.00 H new ATOM 0 HD12 LEU A 6 106.183 -8.540 9.202 1.00 0.00 H new ATOM 0 HD13 LEU A 6 106.753 -9.152 7.631 1.00 0.00 H new ATOM 0 HD21 LEU A 6 104.234 -8.453 6.029 1.00 0.00 H new ATOM 0 HD22 LEU A 6 105.115 -9.997 5.947 1.00 0.00 H new ATOM 0 HD23 LEU A 6 103.374 -9.984 6.314 1.00 0.00 H new ATOM 103 N LYS A 7 102.701 -12.766 10.037 1.00 0.00 N ATOM 104 CA LYS A 7 102.554 -13.943 10.937 1.00 0.00 C ATOM 105 C LYS A 7 101.070 -14.284 11.095 1.00 0.00 C ATOM 106 O LYS A 7 100.657 -14.849 12.089 1.00 0.00 O ATOM 107 CB LYS A 7 103.152 -13.616 12.307 1.00 0.00 C ATOM 108 CG LYS A 7 104.553 -13.025 12.128 1.00 0.00 C ATOM 109 CD LYS A 7 105.499 -14.104 11.598 1.00 0.00 C ATOM 110 CE LYS A 7 106.947 -13.642 11.771 1.00 0.00 C ATOM 111 NZ LYS A 7 107.055 -12.201 11.406 1.00 0.00 N ATOM 0 H LYS A 7 102.190 -11.932 10.328 1.00 0.00 H new ATOM 0 HA LYS A 7 103.078 -14.796 10.507 1.00 0.00 H new ATOM 0 HB2 LYS A 7 102.513 -12.908 12.835 1.00 0.00 H new ATOM 0 HB3 LYS A 7 103.202 -14.517 12.918 1.00 0.00 H new ATOM 0 HG2 LYS A 7 104.519 -12.184 11.435 1.00 0.00 H new ATOM 0 HG3 LYS A 7 104.921 -12.639 13.079 1.00 0.00 H new ATOM 0 HD2 LYS A 7 105.338 -15.039 12.134 1.00 0.00 H new ATOM 0 HD3 LYS A 7 105.292 -14.300 10.546 1.00 0.00 H new ATOM 0 HE2 LYS A 7 107.267 -13.792 12.802 1.00 0.00 H new ATOM 0 HE3 LYS A 7 107.608 -14.238 11.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 108.037 -11.982 11.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 106.429 -11.999 10.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 106.774 -11.615 12.218 1.00 0.00 H new ATOM 125 N ALA A 8 100.268 -13.945 10.125 1.00 0.00 N ATOM 126 CA ALA A 8 98.812 -14.252 10.222 1.00 0.00 C ATOM 127 C ALA A 8 98.568 -15.708 9.824 1.00 0.00 C ATOM 128 O ALA A 8 99.463 -16.398 9.379 1.00 0.00 O ATOM 129 CB ALA A 8 98.034 -13.329 9.282 1.00 0.00 C ATOM 0 H ALA A 8 100.556 -13.469 9.270 1.00 0.00 H new ATOM 0 HA ALA A 8 98.476 -14.096 11.247 1.00 0.00 H new ATOM 0 HB1 ALA A 8 96.969 -13.552 9.352 1.00 0.00 H new ATOM 0 HB2 ALA A 8 98.207 -12.291 9.566 1.00 0.00 H new ATOM 0 HB3 ALA A 8 98.371 -13.485 8.257 1.00 0.00 H new ATOM 135 N GLY A 9 97.360 -16.182 9.982 1.00 0.00 N ATOM 136 CA GLY A 9 97.058 -17.596 9.612 1.00 0.00 C ATOM 137 C GLY A 9 96.327 -18.280 10.770 1.00 0.00 C ATOM 138 O GLY A 9 96.637 -19.396 11.135 1.00 0.00 O ATOM 0 H GLY A 9 96.571 -15.652 10.351 1.00 0.00 H new ATOM 0 HA2 GLY A 9 96.444 -17.625 8.712 1.00 0.00 H new ATOM 0 HA3 GLY A 9 97.981 -18.129 9.385 1.00 0.00 H new ATOM 142 N LYS A 10 95.362 -17.620 11.348 1.00 0.00 N ATOM 143 CA LYS A 10 94.612 -18.230 12.480 1.00 0.00 C ATOM 144 C LYS A 10 93.115 -17.980 12.294 1.00 0.00 C ATOM 145 O LYS A 10 92.371 -17.865 13.248 1.00 0.00 O ATOM 146 CB LYS A 10 95.073 -17.608 13.799 1.00 0.00 C ATOM 147 CG LYS A 10 96.603 -17.564 13.847 1.00 0.00 C ATOM 148 CD LYS A 10 97.096 -16.198 13.362 1.00 0.00 C ATOM 149 CE LYS A 10 98.625 -16.190 13.326 1.00 0.00 C ATOM 150 NZ LYS A 10 99.153 -17.216 14.269 1.00 0.00 N ATOM 0 H LYS A 10 95.060 -16.682 11.084 1.00 0.00 H new ATOM 0 HA LYS A 10 94.802 -19.303 12.502 1.00 0.00 H new ATOM 0 HB2 LYS A 10 94.668 -16.601 13.897 1.00 0.00 H new ATOM 0 HB3 LYS A 10 94.691 -18.189 14.638 1.00 0.00 H new ATOM 0 HG2 LYS A 10 96.950 -17.746 14.864 1.00 0.00 H new ATOM 0 HG3 LYS A 10 97.019 -18.354 13.222 1.00 0.00 H new ATOM 0 HD2 LYS A 10 96.697 -15.987 12.370 1.00 0.00 H new ATOM 0 HD3 LYS A 10 96.733 -15.412 14.025 1.00 0.00 H new ATOM 0 HE2 LYS A 10 98.976 -16.396 12.315 1.00 0.00 H new ATOM 0 HE3 LYS A 10 99.000 -15.204 13.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 100.186 -17.119 14.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 98.722 -17.081 15.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 98.920 -18.166 13.915 1.00 0.00 H new ATOM 164 N GLU A 11 92.665 -17.893 11.072 1.00 0.00 N ATOM 165 CA GLU A 11 91.216 -17.651 10.826 1.00 0.00 C ATOM 166 C GLU A 11 90.886 -17.982 9.366 1.00 0.00 C ATOM 167 O GLU A 11 91.394 -17.356 8.458 1.00 0.00 O ATOM 168 CB GLU A 11 90.895 -16.179 11.096 1.00 0.00 C ATOM 169 CG GLU A 11 92.061 -15.307 10.624 1.00 0.00 C ATOM 170 CD GLU A 11 93.119 -15.231 11.726 1.00 0.00 C ATOM 171 OE1 GLU A 11 94.290 -15.348 11.405 1.00 0.00 O ATOM 172 OE2 GLU A 11 92.741 -15.055 12.873 1.00 0.00 O ATOM 0 H GLU A 11 93.239 -17.979 10.233 1.00 0.00 H new ATOM 0 HA GLU A 11 90.623 -18.283 11.487 1.00 0.00 H new ATOM 0 HB2 GLU A 11 89.980 -15.894 10.576 1.00 0.00 H new ATOM 0 HB3 GLU A 11 90.718 -16.024 12.160 1.00 0.00 H new ATOM 0 HG2 GLU A 11 92.496 -15.723 9.715 1.00 0.00 H new ATOM 0 HG3 GLU A 11 91.705 -14.307 10.377 1.00 0.00 H new ATOM 179 N PRO A 12 90.040 -18.957 9.135 1.00 0.00 N ATOM 180 CA PRO A 12 89.647 -19.364 7.757 1.00 0.00 C ATOM 181 C PRO A 12 88.625 -18.403 7.142 1.00 0.00 C ATOM 182 O PRO A 12 87.430 -18.585 7.274 1.00 0.00 O ATOM 183 CB PRO A 12 89.033 -20.749 7.952 1.00 0.00 C ATOM 184 CG PRO A 12 88.504 -20.755 9.348 1.00 0.00 C ATOM 185 CD PRO A 12 89.366 -19.780 10.156 1.00 0.00 C ATOM 0 HA PRO A 12 90.495 -19.358 7.072 1.00 0.00 H new ATOM 0 HB2 PRO A 12 88.237 -20.931 7.230 1.00 0.00 H new ATOM 0 HB3 PRO A 12 89.778 -21.532 7.811 1.00 0.00 H new ATOM 0 HG2 PRO A 12 87.458 -20.451 9.365 1.00 0.00 H new ATOM 0 HG3 PRO A 12 88.552 -21.757 9.774 1.00 0.00 H new ATOM 0 HD2 PRO A 12 88.757 -19.168 10.821 1.00 0.00 H new ATOM 0 HD3 PRO A 12 90.087 -20.309 10.780 1.00 0.00 H new ATOM 193 N GLY A 13 89.085 -17.381 6.475 1.00 0.00 N ATOM 194 CA GLY A 13 88.138 -16.410 5.857 1.00 0.00 C ATOM 195 C GLY A 13 88.926 -15.342 5.096 1.00 0.00 C ATOM 196 O GLY A 13 89.339 -15.546 3.971 1.00 0.00 O ATOM 0 H GLY A 13 90.074 -17.176 6.331 1.00 0.00 H new ATOM 0 HA2 GLY A 13 87.460 -16.928 5.179 1.00 0.00 H new ATOM 0 HA3 GLY A 13 87.524 -15.944 6.628 1.00 0.00 H new ATOM 200 N LEU A 14 89.135 -14.203 5.698 1.00 0.00 N ATOM 201 CA LEU A 14 89.895 -13.124 5.003 1.00 0.00 C ATOM 202 C LEU A 14 90.388 -12.100 6.028 1.00 0.00 C ATOM 203 O LEU A 14 89.678 -11.727 6.940 1.00 0.00 O ATOM 204 CB LEU A 14 88.979 -12.430 3.991 1.00 0.00 C ATOM 205 CG LEU A 14 89.771 -11.359 3.225 1.00 0.00 C ATOM 206 CD1 LEU A 14 90.004 -11.821 1.784 1.00 0.00 C ATOM 207 CD2 LEU A 14 88.980 -10.048 3.213 1.00 0.00 C ATOM 0 H LEU A 14 88.814 -13.973 6.638 1.00 0.00 H new ATOM 0 HA LEU A 14 90.751 -13.558 4.486 1.00 0.00 H new ATOM 0 HB2 LEU A 14 88.570 -13.162 3.294 1.00 0.00 H new ATOM 0 HB3 LEU A 14 88.134 -11.973 4.505 1.00 0.00 H new ATOM 0 HG LEU A 14 90.731 -11.203 3.717 1.00 0.00 H new ATOM 0 HD11 LEU A 14 90.566 -11.059 1.244 1.00 0.00 H new ATOM 0 HD12 LEU A 14 90.568 -12.754 1.788 1.00 0.00 H new ATOM 0 HD13 LEU A 14 89.044 -11.980 1.293 1.00 0.00 H new ATOM 0 HD21 LEU A 14 89.542 -9.289 2.670 1.00 0.00 H new ATOM 0 HD22 LEU A 14 88.019 -10.207 2.724 1.00 0.00 H new ATOM 0 HD23 LEU A 14 88.815 -9.713 4.237 1.00 0.00 H new ATOM 219 N GLN A 15 91.602 -11.641 5.878 1.00 0.00 N ATOM 220 CA GLN A 15 92.151 -10.636 6.834 1.00 0.00 C ATOM 221 C GLN A 15 92.401 -9.323 6.087 1.00 0.00 C ATOM 222 O GLN A 15 92.922 -9.315 4.989 1.00 0.00 O ATOM 223 CB GLN A 15 93.467 -11.156 7.416 1.00 0.00 C ATOM 224 CG GLN A 15 93.175 -12.048 8.626 1.00 0.00 C ATOM 225 CD GLN A 15 94.276 -13.103 8.761 1.00 0.00 C ATOM 226 OE1 GLN A 15 94.668 -13.472 9.951 1.00 0.00 O flip ATOM 227 NE2 GLN A 15 94.785 -13.597 7.775 1.00 0.00 N flip ATOM 0 H GLN A 15 92.239 -11.920 5.132 1.00 0.00 H new ATOM 0 HA GLN A 15 91.442 -10.467 7.644 1.00 0.00 H new ATOM 0 HB2 GLN A 15 94.014 -11.719 6.660 1.00 0.00 H new ATOM 0 HB3 GLN A 15 94.101 -10.320 7.712 1.00 0.00 H new ATOM 0 HG2 GLN A 15 93.122 -11.444 9.532 1.00 0.00 H new ATOM 0 HG3 GLN A 15 92.205 -12.532 8.509 1.00 0.00 H new ATOM 0 HE21 GLN A 15 94.480 -13.310 6.845 1.00 0.00 H new ATOM 0 HE22 GLN A 15 95.518 -14.299 7.877 1.00 0.00 H new ATOM 236 N ILE A 16 92.027 -8.212 6.672 1.00 0.00 N ATOM 237 CA ILE A 16 92.234 -6.899 5.990 1.00 0.00 C ATOM 238 C ILE A 16 92.916 -5.913 6.942 1.00 0.00 C ATOM 239 O ILE A 16 92.360 -5.529 7.951 1.00 0.00 O ATOM 240 CB ILE A 16 90.878 -6.322 5.574 1.00 0.00 C ATOM 241 CG1 ILE A 16 90.189 -7.265 4.582 1.00 0.00 C ATOM 242 CG2 ILE A 16 91.090 -4.956 4.914 1.00 0.00 C ATOM 243 CD1 ILE A 16 88.674 -7.208 4.792 1.00 0.00 C ATOM 0 H ILE A 16 91.588 -8.158 7.591 1.00 0.00 H new ATOM 0 HA ILE A 16 92.863 -7.053 5.113 1.00 0.00 H new ATOM 0 HB ILE A 16 90.249 -6.212 6.457 1.00 0.00 H new ATOM 0 HG12 ILE A 16 90.436 -6.979 3.560 1.00 0.00 H new ATOM 0 HG13 ILE A 16 90.548 -8.284 4.723 1.00 0.00 H new ATOM 0 HG21 ILE A 16 90.126 -4.542 4.616 1.00 0.00 H new ATOM 0 HG22 ILE A 16 91.572 -4.281 5.621 1.00 0.00 H new ATOM 0 HG23 ILE A 16 91.723 -5.071 4.034 1.00 0.00 H new ATOM 0 HD11 ILE A 16 88.183 -7.879 4.087 1.00 0.00 H new ATOM 0 HD12 ILE A 16 88.436 -7.515 5.810 1.00 0.00 H new ATOM 0 HD13 ILE A 16 88.322 -6.189 4.629 1.00 0.00 H new ATOM 255 N TRP A 17 94.106 -5.477 6.620 1.00 0.00 N ATOM 256 CA TRP A 17 94.800 -4.493 7.503 1.00 0.00 C ATOM 257 C TRP A 17 95.600 -3.519 6.636 1.00 0.00 C ATOM 258 O TRP A 17 96.014 -3.847 5.542 1.00 0.00 O ATOM 259 CB TRP A 17 95.736 -5.215 8.479 1.00 0.00 C ATOM 260 CG TRP A 17 94.949 -6.179 9.309 1.00 0.00 C ATOM 261 CD1 TRP A 17 93.814 -5.879 9.981 1.00 0.00 C ATOM 262 CD2 TRP A 17 95.218 -7.588 9.570 1.00 0.00 C ATOM 263 NE1 TRP A 17 93.368 -7.013 10.634 1.00 0.00 N ATOM 264 CE2 TRP A 17 94.199 -8.093 10.412 1.00 0.00 C ATOM 265 CE3 TRP A 17 96.237 -8.467 9.162 1.00 0.00 C ATOM 266 CZ2 TRP A 17 94.191 -9.423 10.834 1.00 0.00 C ATOM 267 CZ3 TRP A 17 96.231 -9.807 9.584 1.00 0.00 C ATOM 268 CH2 TRP A 17 95.211 -10.282 10.420 1.00 0.00 C ATOM 0 H TRP A 17 94.625 -5.758 5.788 1.00 0.00 H new ATOM 0 HA TRP A 17 94.057 -3.945 8.082 1.00 0.00 H new ATOM 0 HB2 TRP A 17 96.514 -5.744 7.928 1.00 0.00 H new ATOM 0 HB3 TRP A 17 96.237 -4.491 9.121 1.00 0.00 H new ATOM 0 HD1 TRP A 17 93.335 -4.912 10.004 1.00 0.00 H new ATOM 0 HE1 TRP A 17 92.527 -7.048 11.210 1.00 0.00 H new ATOM 0 HE3 TRP A 17 97.029 -8.110 8.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 93.402 -9.785 11.476 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 97.017 -10.475 9.263 1.00 0.00 H new ATOM 0 HH2 TRP A 17 95.214 -11.312 10.744 1.00 0.00 H new ATOM 279 N ARG A 18 95.806 -2.319 7.105 1.00 0.00 N ATOM 280 CA ARG A 18 96.566 -1.322 6.296 1.00 0.00 C ATOM 281 C ARG A 18 98.000 -1.213 6.821 1.00 0.00 C ATOM 282 O ARG A 18 98.270 -1.466 7.976 1.00 0.00 O ATOM 283 CB ARG A 18 95.870 0.039 6.390 1.00 0.00 C ATOM 284 CG ARG A 18 96.847 1.152 6.001 1.00 0.00 C ATOM 285 CD ARG A 18 96.081 2.464 5.823 1.00 0.00 C ATOM 286 NE ARG A 18 94.814 2.409 6.607 1.00 0.00 N ATOM 287 CZ ARG A 18 94.259 3.513 7.029 1.00 0.00 C ATOM 288 NH1 ARG A 18 93.151 3.464 7.716 1.00 0.00 N ATOM 289 NH2 ARG A 18 94.812 4.665 6.764 1.00 0.00 N ATOM 0 H ARG A 18 95.482 -1.985 8.013 1.00 0.00 H new ATOM 0 HA ARG A 18 96.596 -1.643 5.255 1.00 0.00 H new ATOM 0 HB2 ARG A 18 95.001 0.059 5.732 1.00 0.00 H new ATOM 0 HB3 ARG A 18 95.505 0.201 7.404 1.00 0.00 H new ATOM 0 HG2 ARG A 18 97.610 1.266 6.771 1.00 0.00 H new ATOM 0 HG3 ARG A 18 97.363 0.891 5.077 1.00 0.00 H new ATOM 0 HD2 ARG A 18 96.692 3.303 6.157 1.00 0.00 H new ATOM 0 HD3 ARG A 18 95.862 2.630 4.768 1.00 0.00 H new ATOM 0 HE ARG A 18 94.381 1.509 6.814 1.00 0.00 H new ATOM 0 HH11 ARG A 18 92.719 2.564 7.923 1.00 0.00 H new ATOM 0 HH12 ARG A 18 92.717 4.326 8.046 1.00 0.00 H new ATOM 0 HH21 ARG A 18 95.678 4.703 6.227 1.00 0.00 H new ATOM 0 HH22 ARG A 18 94.378 5.527 7.094 1.00 0.00 H new ATOM 303 N VAL A 19 98.920 -0.839 5.973 1.00 0.00 N ATOM 304 CA VAL A 19 100.340 -0.715 6.416 1.00 0.00 C ATOM 305 C VAL A 19 100.647 0.749 6.749 1.00 0.00 C ATOM 306 O VAL A 19 100.354 1.643 5.980 1.00 0.00 O ATOM 307 CB VAL A 19 101.262 -1.181 5.287 1.00 0.00 C ATOM 308 CG1 VAL A 19 102.689 -1.330 5.815 1.00 0.00 C ATOM 309 CG2 VAL A 19 100.771 -2.530 4.755 1.00 0.00 C ATOM 0 H VAL A 19 98.750 -0.614 4.993 1.00 0.00 H new ATOM 0 HA VAL A 19 100.501 -1.330 7.301 1.00 0.00 H new ATOM 0 HB VAL A 19 101.251 -0.445 4.483 1.00 0.00 H new ATOM 0 HG11 VAL A 19 103.343 -1.662 5.008 1.00 0.00 H new ATOM 0 HG12 VAL A 19 103.039 -0.370 6.194 1.00 0.00 H new ATOM 0 HG13 VAL A 19 102.704 -2.065 6.620 1.00 0.00 H new ATOM 0 HG21 VAL A 19 101.426 -2.864 3.951 1.00 0.00 H new ATOM 0 HG22 VAL A 19 100.782 -3.264 5.560 1.00 0.00 H new ATOM 0 HG23 VAL A 19 99.755 -2.423 4.375 1.00 0.00 H new ATOM 319 N GLU A 20 101.239 1.003 7.887 1.00 0.00 N ATOM 320 CA GLU A 20 101.561 2.412 8.252 1.00 0.00 C ATOM 321 C GLU A 20 102.791 2.854 7.463 1.00 0.00 C ATOM 322 O GLU A 20 103.911 2.749 7.925 1.00 0.00 O ATOM 323 CB GLU A 20 101.851 2.508 9.756 1.00 0.00 C ATOM 324 CG GLU A 20 101.237 3.791 10.322 1.00 0.00 C ATOM 325 CD GLU A 20 101.988 5.003 9.767 1.00 0.00 C ATOM 326 OE1 GLU A 20 101.488 6.106 9.919 1.00 0.00 O ATOM 327 OE2 GLU A 20 103.051 4.810 9.200 1.00 0.00 O ATOM 0 H GLU A 20 101.511 0.300 8.574 1.00 0.00 H new ATOM 0 HA GLU A 20 100.715 3.057 8.015 1.00 0.00 H new ATOM 0 HB2 GLU A 20 101.440 1.640 10.271 1.00 0.00 H new ATOM 0 HB3 GLU A 20 102.927 2.502 9.929 1.00 0.00 H new ATOM 0 HG2 GLU A 20 100.182 3.850 10.056 1.00 0.00 H new ATOM 0 HG3 GLU A 20 101.291 3.783 11.411 1.00 0.00 H new ATOM 334 N LYS A 21 102.592 3.342 6.274 1.00 0.00 N ATOM 335 CA LYS A 21 103.748 3.786 5.446 1.00 0.00 C ATOM 336 C LYS A 21 104.828 2.697 5.447 1.00 0.00 C ATOM 337 O LYS A 21 105.894 2.872 4.893 1.00 0.00 O ATOM 338 CB LYS A 21 104.327 5.078 6.028 1.00 0.00 C ATOM 339 CG LYS A 21 103.486 6.269 5.560 1.00 0.00 C ATOM 340 CD LYS A 21 104.042 7.557 6.169 1.00 0.00 C ATOM 341 CE LYS A 21 103.452 7.761 7.567 1.00 0.00 C ATOM 342 NZ LYS A 21 101.965 7.776 7.481 1.00 0.00 N ATOM 0 H LYS A 21 101.677 3.454 5.837 1.00 0.00 H new ATOM 0 HA LYS A 21 103.414 3.965 4.424 1.00 0.00 H new ATOM 0 HB2 LYS A 21 104.333 5.029 7.117 1.00 0.00 H new ATOM 0 HB3 LYS A 21 105.362 5.202 5.709 1.00 0.00 H new ATOM 0 HG2 LYS A 21 103.501 6.333 4.472 1.00 0.00 H new ATOM 0 HG3 LYS A 21 102.446 6.133 5.857 1.00 0.00 H new ATOM 0 HD2 LYS A 21 105.129 7.504 6.226 1.00 0.00 H new ATOM 0 HD3 LYS A 21 103.797 8.407 5.532 1.00 0.00 H new ATOM 0 HE2 LYS A 21 103.780 6.962 8.232 1.00 0.00 H new ATOM 0 HE3 LYS A 21 103.812 8.698 7.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 101.592 8.562 8.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 101.676 7.900 6.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 101.587 6.877 7.842 1.00 0.00 H new ATOM 356 N PHE A 22 104.557 1.576 6.068 1.00 0.00 N ATOM 357 CA PHE A 22 105.559 0.471 6.114 1.00 0.00 C ATOM 358 C PHE A 22 105.288 -0.414 7.336 1.00 0.00 C ATOM 359 O PHE A 22 105.561 -1.598 7.327 1.00 0.00 O ATOM 360 CB PHE A 22 106.974 1.060 6.211 1.00 0.00 C ATOM 361 CG PHE A 22 107.880 0.109 6.957 1.00 0.00 C ATOM 362 CD1 PHE A 22 108.061 0.254 8.338 1.00 0.00 C ATOM 363 CD2 PHE A 22 108.537 -0.918 6.269 1.00 0.00 C ATOM 364 CE1 PHE A 22 108.900 -0.627 9.031 1.00 0.00 C ATOM 365 CE2 PHE A 22 109.376 -1.800 6.962 1.00 0.00 C ATOM 366 CZ PHE A 22 109.558 -1.653 8.342 1.00 0.00 C ATOM 0 H PHE A 22 103.679 1.379 6.548 1.00 0.00 H new ATOM 0 HA PHE A 22 105.479 -0.127 5.206 1.00 0.00 H new ATOM 0 HB2 PHE A 22 107.370 1.244 5.212 1.00 0.00 H new ATOM 0 HB3 PHE A 22 106.942 2.022 6.723 1.00 0.00 H new ATOM 0 HD1 PHE A 22 107.553 1.046 8.869 1.00 0.00 H new ATOM 0 HD2 PHE A 22 108.397 -1.030 5.204 1.00 0.00 H new ATOM 0 HE1 PHE A 22 109.040 -0.515 10.096 1.00 0.00 H new ATOM 0 HE2 PHE A 22 109.882 -2.593 6.432 1.00 0.00 H new ATOM 0 HZ PHE A 22 110.207 -2.332 8.876 1.00 0.00 H new ATOM 376 N ASP A 23 104.760 0.150 8.389 1.00 0.00 N ATOM 377 CA ASP A 23 104.480 -0.661 9.610 1.00 0.00 C ATOM 378 C ASP A 23 103.154 -1.410 9.444 1.00 0.00 C ATOM 379 O ASP A 23 102.899 -2.019 8.426 1.00 0.00 O ATOM 380 CB ASP A 23 104.403 0.261 10.830 1.00 0.00 C ATOM 381 CG ASP A 23 104.838 -0.507 12.080 1.00 0.00 C ATOM 382 OD1 ASP A 23 103.969 -0.944 12.817 1.00 0.00 O ATOM 383 OD2 ASP A 23 106.035 -0.644 12.281 1.00 0.00 O ATOM 0 H ASP A 23 104.510 1.137 8.457 1.00 0.00 H new ATOM 0 HA ASP A 23 105.282 -1.385 9.753 1.00 0.00 H new ATOM 0 HB2 ASP A 23 105.044 1.130 10.683 1.00 0.00 H new ATOM 0 HB3 ASP A 23 103.386 0.633 10.954 1.00 0.00 H new ATOM 388 N LEU A 24 102.310 -1.374 10.442 1.00 0.00 N ATOM 389 CA LEU A 24 101.005 -2.089 10.340 1.00 0.00 C ATOM 390 C LEU A 24 99.888 -1.202 10.898 1.00 0.00 C ATOM 391 O LEU A 24 100.055 -0.527 11.894 1.00 0.00 O ATOM 392 CB LEU A 24 101.078 -3.393 11.142 1.00 0.00 C ATOM 393 CG LEU A 24 100.278 -4.493 10.434 1.00 0.00 C ATOM 394 CD1 LEU A 24 98.834 -4.028 10.232 1.00 0.00 C ATOM 395 CD2 LEU A 24 100.914 -4.800 9.071 1.00 0.00 C ATOM 0 H LEU A 24 102.468 -0.881 11.321 1.00 0.00 H new ATOM 0 HA LEU A 24 100.794 -2.316 9.295 1.00 0.00 H new ATOM 0 HB2 LEU A 24 102.117 -3.703 11.253 1.00 0.00 H new ATOM 0 HB3 LEU A 24 100.683 -3.234 12.146 1.00 0.00 H new ATOM 0 HG LEU A 24 100.286 -5.394 11.047 1.00 0.00 H new ATOM 0 HD11 LEU A 24 98.267 -4.811 9.729 1.00 0.00 H new ATOM 0 HD12 LEU A 24 98.381 -3.817 11.201 1.00 0.00 H new ATOM 0 HD13 LEU A 24 98.825 -3.124 9.623 1.00 0.00 H new ATOM 0 HD21 LEU A 24 100.343 -5.582 8.571 1.00 0.00 H new ATOM 0 HD22 LEU A 24 100.911 -3.899 8.457 1.00 0.00 H new ATOM 0 HD23 LEU A 24 101.940 -5.137 9.216 1.00 0.00 H new ATOM 407 N VAL A 25 98.747 -1.200 10.260 1.00 0.00 N ATOM 408 CA VAL A 25 97.614 -0.362 10.746 1.00 0.00 C ATOM 409 C VAL A 25 96.317 -1.172 10.649 1.00 0.00 C ATOM 410 O VAL A 25 95.656 -1.174 9.629 1.00 0.00 O ATOM 411 CB VAL A 25 97.497 0.888 9.872 1.00 0.00 C ATOM 412 CG1 VAL A 25 96.564 1.899 10.536 1.00 0.00 C ATOM 413 CG2 VAL A 25 98.880 1.516 9.697 1.00 0.00 C ATOM 0 H VAL A 25 98.552 -1.745 9.420 1.00 0.00 H new ATOM 0 HA VAL A 25 97.789 -0.067 11.781 1.00 0.00 H new ATOM 0 HB VAL A 25 97.093 0.609 8.899 1.00 0.00 H new ATOM 0 HG11 VAL A 25 96.485 2.787 9.909 1.00 0.00 H new ATOM 0 HG12 VAL A 25 95.577 1.455 10.663 1.00 0.00 H new ATOM 0 HG13 VAL A 25 96.964 2.178 11.511 1.00 0.00 H new ATOM 0 HG21 VAL A 25 98.799 2.407 9.074 1.00 0.00 H new ATOM 0 HG22 VAL A 25 99.281 1.790 10.673 1.00 0.00 H new ATOM 0 HG23 VAL A 25 99.547 0.799 9.219 1.00 0.00 H new ATOM 423 N PRO A 26 95.962 -1.861 11.701 1.00 0.00 N ATOM 424 CA PRO A 26 94.728 -2.698 11.736 1.00 0.00 C ATOM 425 C PRO A 26 93.478 -1.920 11.316 1.00 0.00 C ATOM 426 O PRO A 26 93.445 -0.706 11.358 1.00 0.00 O ATOM 427 CB PRO A 26 94.619 -3.136 13.200 1.00 0.00 C ATOM 428 CG PRO A 26 96.001 -3.030 13.752 1.00 0.00 C ATOM 429 CD PRO A 26 96.699 -1.917 12.972 1.00 0.00 C ATOM 0 HA PRO A 26 94.792 -3.531 11.036 1.00 0.00 H new ATOM 0 HB2 PRO A 26 93.927 -2.498 13.750 1.00 0.00 H new ATOM 0 HB3 PRO A 26 94.243 -4.156 13.277 1.00 0.00 H new ATOM 0 HG2 PRO A 26 95.976 -2.800 14.817 1.00 0.00 H new ATOM 0 HG3 PRO A 26 96.535 -3.974 13.642 1.00 0.00 H new ATOM 0 HD2 PRO A 26 96.652 -0.966 13.503 1.00 0.00 H new ATOM 0 HD3 PRO A 26 97.754 -2.141 12.813 1.00 0.00 H new ATOM 437 N VAL A 27 92.448 -2.614 10.914 1.00 0.00 N ATOM 438 CA VAL A 27 91.196 -1.927 10.494 1.00 0.00 C ATOM 439 C VAL A 27 89.992 -2.786 10.901 1.00 0.00 C ATOM 440 O VAL A 27 89.798 -3.867 10.380 1.00 0.00 O ATOM 441 CB VAL A 27 91.203 -1.747 8.974 1.00 0.00 C ATOM 442 CG1 VAL A 27 90.012 -0.886 8.556 1.00 0.00 C ATOM 443 CG2 VAL A 27 92.503 -1.058 8.551 1.00 0.00 C ATOM 0 H VAL A 27 92.421 -3.632 10.859 1.00 0.00 H new ATOM 0 HA VAL A 27 91.130 -0.951 10.975 1.00 0.00 H new ATOM 0 HB VAL A 27 91.132 -2.722 8.492 1.00 0.00 H new ATOM 0 HG11 VAL A 27 90.018 -0.758 7.474 1.00 0.00 H new ATOM 0 HG12 VAL A 27 89.086 -1.374 8.859 1.00 0.00 H new ATOM 0 HG13 VAL A 27 90.082 0.090 9.037 1.00 0.00 H new ATOM 0 HG21 VAL A 27 92.511 -0.929 7.469 1.00 0.00 H new ATOM 0 HG22 VAL A 27 92.572 -0.083 9.034 1.00 0.00 H new ATOM 0 HG23 VAL A 27 93.353 -1.671 8.849 1.00 0.00 H new ATOM 453 N PRO A 28 89.194 -2.321 11.828 1.00 0.00 N ATOM 454 CA PRO A 28 88.001 -3.075 12.308 1.00 0.00 C ATOM 455 C PRO A 28 86.820 -2.984 11.335 1.00 0.00 C ATOM 456 O PRO A 28 86.818 -2.190 10.415 1.00 0.00 O ATOM 457 CB PRO A 28 87.657 -2.397 13.634 1.00 0.00 C ATOM 458 CG PRO A 28 88.161 -0.998 13.508 1.00 0.00 C ATOM 459 CD PRO A 28 89.333 -1.028 12.522 1.00 0.00 C ATOM 0 HA PRO A 28 88.207 -4.141 12.402 1.00 0.00 H new ATOM 0 HB2 PRO A 28 86.582 -2.412 13.816 1.00 0.00 H new ATOM 0 HB3 PRO A 28 88.129 -2.910 14.472 1.00 0.00 H new ATOM 0 HG2 PRO A 28 87.373 -0.336 13.150 1.00 0.00 H new ATOM 0 HG3 PRO A 28 88.482 -0.616 14.477 1.00 0.00 H new ATOM 0 HD2 PRO A 28 89.285 -0.194 11.822 1.00 0.00 H new ATOM 0 HD3 PRO A 28 90.290 -0.955 13.039 1.00 0.00 H new ATOM 467 N THR A 29 85.815 -3.794 11.537 1.00 0.00 N ATOM 468 CA THR A 29 84.635 -3.758 10.628 1.00 0.00 C ATOM 469 C THR A 29 84.129 -2.320 10.511 1.00 0.00 C ATOM 470 O THR A 29 84.733 -1.396 11.018 1.00 0.00 O ATOM 471 CB THR A 29 83.526 -4.646 11.198 1.00 0.00 C ATOM 472 OG1 THR A 29 82.266 -4.186 10.732 1.00 0.00 O ATOM 473 CG2 THR A 29 83.559 -4.591 12.726 1.00 0.00 C ATOM 0 H THR A 29 85.761 -4.478 12.292 1.00 0.00 H new ATOM 0 HA THR A 29 84.922 -4.124 9.642 1.00 0.00 H new ATOM 0 HB THR A 29 83.681 -5.674 10.871 1.00 0.00 H new ATOM 0 HG1 THR A 29 82.052 -4.623 9.882 1.00 0.00 H new ATOM 0 HG21 THR A 29 82.769 -5.224 13.130 1.00 0.00 H new ATOM 0 HG22 THR A 29 84.526 -4.946 13.082 1.00 0.00 H new ATOM 0 HG23 THR A 29 83.406 -3.564 13.056 1.00 0.00 H new ATOM 481 N ASN A 30 83.026 -2.120 9.841 1.00 0.00 N ATOM 482 CA ASN A 30 82.488 -0.739 9.690 1.00 0.00 C ATOM 483 C ASN A 30 83.416 0.066 8.780 1.00 0.00 C ATOM 484 O ASN A 30 82.977 0.878 7.989 1.00 0.00 O ATOM 485 CB ASN A 30 82.404 -0.067 11.062 1.00 0.00 C ATOM 486 CG ASN A 30 81.300 0.992 11.048 1.00 0.00 C ATOM 487 OD1 ASN A 30 80.789 1.367 9.907 1.00 0.00 O flip ATOM 488 ND2 ASN A 30 80.899 1.483 12.084 1.00 0.00 N flip ATOM 0 H ASN A 30 82.476 -2.852 9.393 1.00 0.00 H new ATOM 0 HA ASN A 30 81.491 -0.781 9.250 1.00 0.00 H new ATOM 0 HB2 ASN A 30 82.198 -0.812 11.831 1.00 0.00 H new ATOM 0 HB3 ASN A 30 83.360 0.393 11.312 1.00 0.00 H new ATOM 0 HD21 ASN A 30 81.298 1.190 12.976 1.00 0.00 H new ATOM 0 HD22 ASN A 30 80.163 2.189 12.063 1.00 0.00 H new ATOM 495 N LEU A 31 84.697 -0.158 8.885 1.00 0.00 N ATOM 496 CA LEU A 31 85.662 0.586 8.030 1.00 0.00 C ATOM 497 C LEU A 31 86.256 -0.369 6.994 1.00 0.00 C ATOM 498 O LEU A 31 86.505 -0.001 5.864 1.00 0.00 O ATOM 499 CB LEU A 31 86.782 1.158 8.901 1.00 0.00 C ATOM 500 CG LEU A 31 86.197 2.170 9.888 1.00 0.00 C ATOM 501 CD1 LEU A 31 87.098 2.263 11.122 1.00 0.00 C ATOM 502 CD2 LEU A 31 86.110 3.544 9.218 1.00 0.00 C ATOM 0 H LEU A 31 85.118 -0.827 9.529 1.00 0.00 H new ATOM 0 HA LEU A 31 85.148 1.403 7.523 1.00 0.00 H new ATOM 0 HB2 LEU A 31 87.282 0.355 9.442 1.00 0.00 H new ATOM 0 HB3 LEU A 31 87.534 1.638 8.275 1.00 0.00 H new ATOM 0 HG LEU A 31 85.201 1.847 10.189 1.00 0.00 H new ATOM 0 HD11 LEU A 31 86.680 2.984 11.824 1.00 0.00 H new ATOM 0 HD12 LEU A 31 87.162 1.286 11.601 1.00 0.00 H new ATOM 0 HD13 LEU A 31 88.095 2.585 10.821 1.00 0.00 H new ATOM 0 HD21 LEU A 31 85.693 4.266 9.921 1.00 0.00 H new ATOM 0 HD22 LEU A 31 87.107 3.865 8.916 1.00 0.00 H new ATOM 0 HD23 LEU A 31 85.468 3.480 8.340 1.00 0.00 H new ATOM 514 N TYR A 32 86.481 -1.597 7.373 1.00 0.00 N ATOM 515 CA TYR A 32 87.056 -2.581 6.411 1.00 0.00 C ATOM 516 C TYR A 32 86.364 -2.428 5.053 1.00 0.00 C ATOM 517 O TYR A 32 85.337 -1.789 4.938 1.00 0.00 O ATOM 518 CB TYR A 32 86.841 -3.999 6.943 1.00 0.00 C ATOM 519 CG TYR A 32 85.423 -4.441 6.666 1.00 0.00 C ATOM 520 CD1 TYR A 32 84.348 -3.714 7.191 1.00 0.00 C ATOM 521 CD2 TYR A 32 85.183 -5.577 5.885 1.00 0.00 C ATOM 522 CE1 TYR A 32 83.034 -4.123 6.935 1.00 0.00 C ATOM 523 CE2 TYR A 32 83.870 -5.987 5.628 1.00 0.00 C ATOM 524 CZ TYR A 32 82.794 -5.260 6.153 1.00 0.00 C ATOM 525 OH TYR A 32 81.500 -5.663 5.900 1.00 0.00 O ATOM 0 H TYR A 32 86.292 -1.962 8.306 1.00 0.00 H new ATOM 0 HA TYR A 32 88.124 -2.398 6.295 1.00 0.00 H new ATOM 0 HB2 TYR A 32 87.544 -4.685 6.470 1.00 0.00 H new ATOM 0 HB3 TYR A 32 87.038 -4.029 8.015 1.00 0.00 H new ATOM 0 HD1 TYR A 32 84.533 -2.837 7.794 1.00 0.00 H new ATOM 0 HD2 TYR A 32 86.012 -6.138 5.480 1.00 0.00 H new ATOM 0 HE1 TYR A 32 82.205 -3.562 7.341 1.00 0.00 H new ATOM 0 HE2 TYR A 32 83.686 -6.864 5.025 1.00 0.00 H new ATOM 0 HH TYR A 32 81.511 -6.468 5.341 1.00 0.00 H new ATOM 535 N GLY A 33 86.919 -3.009 4.025 1.00 0.00 N ATOM 536 CA GLY A 33 86.291 -2.896 2.677 1.00 0.00 C ATOM 537 C GLY A 33 86.606 -1.524 2.081 1.00 0.00 C ATOM 538 O GLY A 33 86.403 -1.285 0.906 1.00 0.00 O ATOM 0 H GLY A 33 87.779 -3.556 4.059 1.00 0.00 H new ATOM 0 HA2 GLY A 33 86.665 -3.683 2.023 1.00 0.00 H new ATOM 0 HA3 GLY A 33 85.212 -3.032 2.754 1.00 0.00 H new ATOM 542 N ASP A 34 87.103 -0.618 2.880 1.00 0.00 N ATOM 543 CA ASP A 34 87.432 0.736 2.357 1.00 0.00 C ATOM 544 C ASP A 34 88.855 0.734 1.795 1.00 0.00 C ATOM 545 O ASP A 34 89.664 -0.108 2.135 1.00 0.00 O ATOM 546 CB ASP A 34 87.332 1.759 3.491 1.00 0.00 C ATOM 547 CG ASP A 34 85.869 2.156 3.692 1.00 0.00 C ATOM 548 OD1 ASP A 34 85.527 3.277 3.348 1.00 0.00 O ATOM 549 OD2 ASP A 34 85.115 1.336 4.187 1.00 0.00 O ATOM 0 H ASP A 34 87.295 -0.759 3.872 1.00 0.00 H new ATOM 0 HA ASP A 34 86.730 1.001 1.566 1.00 0.00 H new ATOM 0 HB2 ASP A 34 87.735 1.338 4.412 1.00 0.00 H new ATOM 0 HB3 ASP A 34 87.930 2.639 3.255 1.00 0.00 H new ATOM 554 N PHE A 35 89.167 1.665 0.936 1.00 0.00 N ATOM 555 CA PHE A 35 90.537 1.709 0.353 1.00 0.00 C ATOM 556 C PHE A 35 90.957 3.165 0.141 1.00 0.00 C ATOM 557 O PHE A 35 90.459 3.843 -0.736 1.00 0.00 O ATOM 558 CB PHE A 35 90.543 0.978 -0.990 1.00 0.00 C ATOM 559 CG PHE A 35 90.369 -0.505 -0.760 1.00 0.00 C ATOM 560 CD1 PHE A 35 89.168 -1.131 -1.116 1.00 0.00 C ATOM 561 CD2 PHE A 35 91.406 -1.251 -0.193 1.00 0.00 C ATOM 562 CE1 PHE A 35 89.006 -2.505 -0.903 1.00 0.00 C ATOM 563 CE2 PHE A 35 91.244 -2.626 0.020 1.00 0.00 C ATOM 564 CZ PHE A 35 90.045 -3.253 -0.335 1.00 0.00 C ATOM 0 H PHE A 35 88.533 2.396 0.613 1.00 0.00 H new ATOM 0 HA PHE A 35 91.236 1.225 1.035 1.00 0.00 H new ATOM 0 HB2 PHE A 35 89.740 1.355 -1.624 1.00 0.00 H new ATOM 0 HB3 PHE A 35 91.479 1.168 -1.515 1.00 0.00 H new ATOM 0 HD1 PHE A 35 88.367 -0.554 -1.555 1.00 0.00 H new ATOM 0 HD2 PHE A 35 92.332 -0.767 0.081 1.00 0.00 H new ATOM 0 HE1 PHE A 35 88.080 -2.988 -1.177 1.00 0.00 H new ATOM 0 HE2 PHE A 35 92.045 -3.202 0.459 1.00 0.00 H new ATOM 0 HZ PHE A 35 89.921 -4.313 -0.171 1.00 0.00 H new ATOM 574 N PHE A 36 91.873 3.650 0.934 1.00 0.00 N ATOM 575 CA PHE A 36 92.327 5.061 0.773 1.00 0.00 C ATOM 576 C PHE A 36 93.337 5.135 -0.373 1.00 0.00 C ATOM 577 O PHE A 36 94.436 4.623 -0.279 1.00 0.00 O ATOM 578 CB PHE A 36 92.984 5.540 2.074 1.00 0.00 C ATOM 579 CG PHE A 36 91.987 6.325 2.890 1.00 0.00 C ATOM 580 CD1 PHE A 36 90.825 5.705 3.365 1.00 0.00 C ATOM 581 CD2 PHE A 36 92.222 7.677 3.170 1.00 0.00 C ATOM 582 CE1 PHE A 36 89.900 6.435 4.122 1.00 0.00 C ATOM 583 CE2 PHE A 36 91.298 8.407 3.927 1.00 0.00 C ATOM 584 CZ PHE A 36 90.137 7.786 4.403 1.00 0.00 C ATOM 0 H PHE A 36 92.326 3.131 1.686 1.00 0.00 H new ATOM 0 HA PHE A 36 91.473 5.699 0.548 1.00 0.00 H new ATOM 0 HB2 PHE A 36 93.344 4.685 2.647 1.00 0.00 H new ATOM 0 HB3 PHE A 36 93.851 6.160 1.848 1.00 0.00 H new ATOM 0 HD1 PHE A 36 90.642 4.663 3.148 1.00 0.00 H new ATOM 0 HD2 PHE A 36 93.117 8.157 2.802 1.00 0.00 H new ATOM 0 HE1 PHE A 36 89.004 5.956 4.489 1.00 0.00 H new ATOM 0 HE2 PHE A 36 91.481 9.449 4.144 1.00 0.00 H new ATOM 0 HZ PHE A 36 89.424 8.349 4.987 1.00 0.00 H new ATOM 594 N THR A 37 92.977 5.767 -1.455 1.00 0.00 N ATOM 595 CA THR A 37 93.916 5.872 -2.607 1.00 0.00 C ATOM 596 C THR A 37 95.223 6.522 -2.147 1.00 0.00 C ATOM 597 O THR A 37 96.171 6.630 -2.898 1.00 0.00 O ATOM 598 CB THR A 37 93.281 6.725 -3.707 1.00 0.00 C ATOM 599 OG1 THR A 37 93.389 8.099 -3.361 1.00 0.00 O ATOM 600 CG2 THR A 37 91.805 6.351 -3.857 1.00 0.00 C ATOM 0 H THR A 37 92.071 6.216 -1.592 1.00 0.00 H new ATOM 0 HA THR A 37 94.125 4.875 -2.995 1.00 0.00 H new ATOM 0 HB THR A 37 93.798 6.545 -4.650 1.00 0.00 H new ATOM 0 HG1 THR A 37 92.923 8.261 -2.514 1.00 0.00 H new ATOM 0 HG21 THR A 37 91.353 6.959 -4.641 1.00 0.00 H new ATOM 0 HG22 THR A 37 91.722 5.297 -4.122 1.00 0.00 H new ATOM 0 HG23 THR A 37 91.287 6.530 -2.915 1.00 0.00 H new ATOM 608 N GLY A 38 95.280 6.957 -0.917 1.00 0.00 N ATOM 609 CA GLY A 38 96.526 7.602 -0.408 1.00 0.00 C ATOM 610 C GLY A 38 97.204 6.680 0.606 1.00 0.00 C ATOM 611 O GLY A 38 97.727 7.125 1.609 1.00 0.00 O ATOM 0 H GLY A 38 94.518 6.894 -0.242 1.00 0.00 H new ATOM 0 HA2 GLY A 38 97.204 7.810 -1.236 1.00 0.00 H new ATOM 0 HA3 GLY A 38 96.288 8.559 0.057 1.00 0.00 H new ATOM 615 N ASP A 39 97.200 5.399 0.357 1.00 0.00 N ATOM 616 CA ASP A 39 97.846 4.452 1.311 1.00 0.00 C ATOM 617 C ASP A 39 97.940 3.064 0.673 1.00 0.00 C ATOM 618 O ASP A 39 97.580 2.872 -0.473 1.00 0.00 O ATOM 619 CB ASP A 39 97.011 4.370 2.591 1.00 0.00 C ATOM 620 CG ASP A 39 97.422 5.493 3.544 1.00 0.00 C ATOM 621 OD1 ASP A 39 98.610 5.640 3.779 1.00 0.00 O ATOM 622 OD2 ASP A 39 96.541 6.188 4.024 1.00 0.00 O ATOM 0 H ASP A 39 96.778 4.967 -0.465 1.00 0.00 H new ATOM 0 HA ASP A 39 98.848 4.808 1.551 1.00 0.00 H new ATOM 0 HB2 ASP A 39 95.951 4.452 2.352 1.00 0.00 H new ATOM 0 HB3 ASP A 39 97.155 3.402 3.070 1.00 0.00 H new ATOM 627 N ALA A 40 98.418 2.095 1.407 1.00 0.00 N ATOM 628 CA ALA A 40 98.536 0.717 0.846 1.00 0.00 C ATOM 629 C ALA A 40 97.787 -0.264 1.750 1.00 0.00 C ATOM 630 O ALA A 40 97.977 -0.287 2.952 1.00 0.00 O ATOM 631 CB ALA A 40 100.012 0.320 0.776 1.00 0.00 C ATOM 0 H ALA A 40 98.732 2.198 2.372 1.00 0.00 H new ATOM 0 HA ALA A 40 98.106 0.692 -0.155 1.00 0.00 H new ATOM 0 HB1 ALA A 40 100.099 -0.686 0.366 1.00 0.00 H new ATOM 0 HB2 ALA A 40 100.547 1.020 0.135 1.00 0.00 H new ATOM 0 HB3 ALA A 40 100.443 0.343 1.777 1.00 0.00 H new ATOM 637 N TYR A 41 96.933 -1.074 1.184 1.00 0.00 N ATOM 638 CA TYR A 41 96.168 -2.051 2.009 1.00 0.00 C ATOM 639 C TYR A 41 96.589 -3.476 1.643 1.00 0.00 C ATOM 640 O TYR A 41 96.751 -3.806 0.484 1.00 0.00 O ATOM 641 CB TYR A 41 94.670 -1.881 1.746 1.00 0.00 C ATOM 642 CG TYR A 41 94.192 -0.597 2.379 1.00 0.00 C ATOM 643 CD1 TYR A 41 94.536 0.635 1.808 1.00 0.00 C ATOM 644 CD2 TYR A 41 93.405 -0.638 3.537 1.00 0.00 C ATOM 645 CE1 TYR A 41 94.092 1.826 2.395 1.00 0.00 C ATOM 646 CE2 TYR A 41 92.961 0.554 4.122 1.00 0.00 C ATOM 647 CZ TYR A 41 93.305 1.785 3.552 1.00 0.00 C ATOM 648 OH TYR A 41 92.868 2.960 4.131 1.00 0.00 O ATOM 0 H TYR A 41 96.732 -1.101 0.184 1.00 0.00 H new ATOM 0 HA TYR A 41 96.376 -1.871 3.064 1.00 0.00 H new ATOM 0 HB2 TYR A 41 94.478 -1.864 0.673 1.00 0.00 H new ATOM 0 HB3 TYR A 41 94.119 -2.728 2.155 1.00 0.00 H new ATOM 0 HD1 TYR A 41 95.143 0.666 0.915 1.00 0.00 H new ATOM 0 HD2 TYR A 41 93.141 -1.588 3.978 1.00 0.00 H new ATOM 0 HE1 TYR A 41 94.357 2.776 1.955 1.00 0.00 H new ATOM 0 HE2 TYR A 41 92.353 0.523 5.014 1.00 0.00 H new ATOM 0 HH TYR A 41 92.333 2.754 4.926 1.00 0.00 H new ATOM 658 N VAL A 42 96.768 -4.323 2.621 1.00 0.00 N ATOM 659 CA VAL A 42 97.176 -5.725 2.333 1.00 0.00 C ATOM 660 C VAL A 42 96.060 -6.670 2.764 1.00 0.00 C ATOM 661 O VAL A 42 95.407 -6.456 3.772 1.00 0.00 O ATOM 662 CB VAL A 42 98.428 -6.062 3.130 1.00 0.00 C ATOM 663 CG1 VAL A 42 99.319 -7.009 2.322 1.00 0.00 C ATOM 664 CG2 VAL A 42 99.198 -4.777 3.445 1.00 0.00 C ATOM 0 H VAL A 42 96.648 -4.102 3.610 1.00 0.00 H new ATOM 0 HA VAL A 42 97.372 -5.832 1.266 1.00 0.00 H new ATOM 0 HB VAL A 42 98.139 -6.549 4.061 1.00 0.00 H new ATOM 0 HG11 VAL A 42 100.214 -7.247 2.898 1.00 0.00 H new ATOM 0 HG12 VAL A 42 98.772 -7.927 2.106 1.00 0.00 H new ATOM 0 HG13 VAL A 42 99.606 -6.529 1.387 1.00 0.00 H new ATOM 0 HG21 VAL A 42 100.094 -5.020 4.016 1.00 0.00 H new ATOM 0 HG22 VAL A 42 99.483 -4.286 2.514 1.00 0.00 H new ATOM 0 HG23 VAL A 42 98.566 -4.108 4.029 1.00 0.00 H new ATOM 674 N ILE A 43 95.837 -7.716 2.017 1.00 0.00 N ATOM 675 CA ILE A 43 94.764 -8.672 2.391 1.00 0.00 C ATOM 676 C ILE A 43 95.259 -10.109 2.225 1.00 0.00 C ATOM 677 O ILE A 43 95.994 -10.423 1.309 1.00 0.00 O ATOM 678 CB ILE A 43 93.542 -8.446 1.499 1.00 0.00 C ATOM 679 CG1 ILE A 43 93.558 -7.018 0.937 1.00 0.00 C ATOM 680 CG2 ILE A 43 92.280 -8.644 2.331 1.00 0.00 C ATOM 681 CD1 ILE A 43 93.372 -6.008 2.075 1.00 0.00 C ATOM 0 H ILE A 43 96.351 -7.947 1.167 1.00 0.00 H new ATOM 0 HA ILE A 43 94.491 -8.508 3.433 1.00 0.00 H new ATOM 0 HB ILE A 43 93.562 -9.155 0.671 1.00 0.00 H new ATOM 0 HG12 ILE A 43 94.501 -6.831 0.423 1.00 0.00 H new ATOM 0 HG13 ILE A 43 92.764 -6.899 0.200 1.00 0.00 H new ATOM 0 HG21 ILE A 43 91.402 -8.485 1.704 1.00 0.00 H new ATOM 0 HG22 ILE A 43 92.262 -9.658 2.730 1.00 0.00 H new ATOM 0 HG23 ILE A 43 92.272 -7.930 3.155 1.00 0.00 H new ATOM 0 HD11 ILE A 43 93.384 -4.996 1.669 1.00 0.00 H new ATOM 0 HD12 ILE A 43 92.418 -6.189 2.570 1.00 0.00 H new ATOM 0 HD13 ILE A 43 94.182 -6.119 2.796 1.00 0.00 H new ATOM 693 N LEU A 44 94.853 -10.985 3.105 1.00 0.00 N ATOM 694 CA LEU A 44 95.288 -12.408 3.000 1.00 0.00 C ATOM 695 C LEU A 44 94.059 -13.315 3.047 1.00 0.00 C ATOM 696 O LEU A 44 93.324 -13.333 4.014 1.00 0.00 O ATOM 697 CB LEU A 44 96.221 -12.753 4.166 1.00 0.00 C ATOM 698 CG LEU A 44 96.775 -14.173 3.978 1.00 0.00 C ATOM 699 CD1 LEU A 44 98.236 -14.221 4.431 1.00 0.00 C ATOM 700 CD2 LEU A 44 95.955 -15.163 4.811 1.00 0.00 C ATOM 0 H LEU A 44 94.239 -10.776 3.892 1.00 0.00 H new ATOM 0 HA LEU A 44 95.819 -12.556 2.060 1.00 0.00 H new ATOM 0 HB2 LEU A 44 97.040 -12.035 4.214 1.00 0.00 H new ATOM 0 HB3 LEU A 44 95.681 -12.684 5.110 1.00 0.00 H new ATOM 0 HG LEU A 44 96.711 -14.443 2.924 1.00 0.00 H new ATOM 0 HD11 LEU A 44 98.626 -15.230 4.296 1.00 0.00 H new ATOM 0 HD12 LEU A 44 98.824 -13.522 3.836 1.00 0.00 H new ATOM 0 HD13 LEU A 44 98.300 -13.945 5.484 1.00 0.00 H new ATOM 0 HD21 LEU A 44 96.351 -16.169 4.675 1.00 0.00 H new ATOM 0 HD22 LEU A 44 96.015 -14.889 5.864 1.00 0.00 H new ATOM 0 HD23 LEU A 44 94.914 -15.136 4.488 1.00 0.00 H new ATOM 712 N LYS A 45 93.830 -14.071 2.009 1.00 0.00 N ATOM 713 CA LYS A 45 92.646 -14.976 1.999 1.00 0.00 C ATOM 714 C LYS A 45 93.031 -16.324 2.610 1.00 0.00 C ATOM 715 O LYS A 45 94.098 -16.849 2.359 1.00 0.00 O ATOM 716 CB LYS A 45 92.169 -15.182 0.560 1.00 0.00 C ATOM 717 CG LYS A 45 90.965 -16.123 0.551 1.00 0.00 C ATOM 718 CD LYS A 45 90.156 -15.906 -0.731 1.00 0.00 C ATOM 719 CE LYS A 45 89.270 -17.125 -0.990 1.00 0.00 C ATOM 720 NZ LYS A 45 88.264 -16.793 -2.038 1.00 0.00 N ATOM 0 H LYS A 45 94.409 -14.102 1.170 1.00 0.00 H new ATOM 0 HA LYS A 45 91.842 -14.529 2.584 1.00 0.00 H new ATOM 0 HB2 LYS A 45 91.899 -14.224 0.115 1.00 0.00 H new ATOM 0 HB3 LYS A 45 92.974 -15.599 -0.045 1.00 0.00 H new ATOM 0 HG2 LYS A 45 91.299 -17.159 0.612 1.00 0.00 H new ATOM 0 HG3 LYS A 45 90.339 -15.938 1.424 1.00 0.00 H new ATOM 0 HD2 LYS A 45 89.542 -15.010 -0.638 1.00 0.00 H new ATOM 0 HD3 LYS A 45 90.828 -15.746 -1.574 1.00 0.00 H new ATOM 0 HE2 LYS A 45 89.880 -17.970 -1.310 1.00 0.00 H new ATOM 0 HE3 LYS A 45 88.768 -17.425 -0.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 87.847 -17.670 -2.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 87.515 -16.201 -1.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 88.727 -16.276 -2.812 1.00 0.00 H new ATOM 734 N THR A 46 92.172 -16.889 3.412 1.00 0.00 N ATOM 735 CA THR A 46 92.490 -18.203 4.041 1.00 0.00 C ATOM 736 C THR A 46 91.227 -19.065 4.088 1.00 0.00 C ATOM 737 O THR A 46 90.275 -18.745 4.771 1.00 0.00 O ATOM 738 CB THR A 46 93.004 -17.972 5.465 1.00 0.00 C ATOM 739 OG1 THR A 46 93.706 -16.738 5.517 1.00 0.00 O ATOM 740 CG2 THR A 46 93.944 -19.112 5.865 1.00 0.00 C ATOM 0 H THR A 46 91.263 -16.498 3.660 1.00 0.00 H new ATOM 0 HA THR A 46 93.255 -18.713 3.455 1.00 0.00 H new ATOM 0 HB THR A 46 92.161 -17.943 6.155 1.00 0.00 H new ATOM 0 HG1 THR A 46 94.035 -16.587 6.428 1.00 0.00 H new ATOM 0 HG21 THR A 46 94.308 -18.945 6.879 1.00 0.00 H new ATOM 0 HG22 THR A 46 93.405 -20.059 5.824 1.00 0.00 H new ATOM 0 HG23 THR A 46 94.789 -19.145 5.177 1.00 0.00 H new ATOM 748 N VAL A 47 91.206 -20.156 3.368 1.00 0.00 N ATOM 749 CA VAL A 47 90.006 -21.032 3.375 1.00 0.00 C ATOM 750 C VAL A 47 90.429 -22.454 3.731 1.00 0.00 C ATOM 751 O VAL A 47 91.593 -22.777 3.736 1.00 0.00 O ATOM 752 CB VAL A 47 89.372 -21.036 1.988 1.00 0.00 C ATOM 753 CG1 VAL A 47 87.851 -21.139 2.116 1.00 0.00 C ATOM 754 CG2 VAL A 47 89.738 -19.746 1.253 1.00 0.00 C ATOM 0 H VAL A 47 91.972 -20.476 2.775 1.00 0.00 H new ATOM 0 HA VAL A 47 89.287 -20.661 4.106 1.00 0.00 H new ATOM 0 HB VAL A 47 89.745 -21.892 1.425 1.00 0.00 H new ATOM 0 HG11 VAL A 47 87.402 -21.142 1.123 1.00 0.00 H new ATOM 0 HG12 VAL A 47 87.591 -22.062 2.634 1.00 0.00 H new ATOM 0 HG13 VAL A 47 87.475 -20.287 2.682 1.00 0.00 H new ATOM 0 HG21 VAL A 47 89.284 -19.751 0.262 1.00 0.00 H new ATOM 0 HG22 VAL A 47 89.370 -18.889 1.817 1.00 0.00 H new ATOM 0 HG23 VAL A 47 90.821 -19.678 1.155 1.00 0.00 H new ATOM 764 N GLN A 48 89.485 -23.300 4.016 1.00 0.00 N ATOM 765 CA GLN A 48 89.823 -24.709 4.367 1.00 0.00 C ATOM 766 C GLN A 48 89.584 -25.607 3.151 1.00 0.00 C ATOM 767 O GLN A 48 88.464 -25.970 2.845 1.00 0.00 O ATOM 768 CB GLN A 48 88.935 -25.171 5.525 1.00 0.00 C ATOM 769 CG GLN A 48 89.475 -26.486 6.092 1.00 0.00 C ATOM 770 CD GLN A 48 88.820 -26.764 7.446 1.00 0.00 C ATOM 771 OE1 GLN A 48 87.619 -26.654 7.588 1.00 0.00 O ATOM 772 NE2 GLN A 48 89.566 -27.122 8.456 1.00 0.00 N ATOM 0 H GLN A 48 88.489 -23.079 4.022 1.00 0.00 H new ATOM 0 HA GLN A 48 90.870 -24.770 4.664 1.00 0.00 H new ATOM 0 HB2 GLN A 48 88.911 -24.410 6.305 1.00 0.00 H new ATOM 0 HB3 GLN A 48 87.910 -25.306 5.179 1.00 0.00 H new ATOM 0 HG2 GLN A 48 89.269 -27.304 5.402 1.00 0.00 H new ATOM 0 HG3 GLN A 48 90.558 -26.429 6.205 1.00 0.00 H new ATOM 0 HE21 GLN A 48 90.575 -27.215 8.337 1.00 0.00 H new ATOM 0 HE22 GLN A 48 89.140 -27.309 9.364 1.00 0.00 H new ATOM 781 N LEU A 49 90.626 -25.970 2.455 1.00 0.00 N ATOM 782 CA LEU A 49 90.456 -26.843 1.258 1.00 0.00 C ATOM 783 C LEU A 49 89.747 -28.135 1.667 1.00 0.00 C ATOM 784 O LEU A 49 89.669 -28.470 2.833 1.00 0.00 O ATOM 785 CB LEU A 49 91.829 -27.178 0.673 1.00 0.00 C ATOM 786 CG LEU A 49 92.285 -26.043 -0.246 1.00 0.00 C ATOM 787 CD1 LEU A 49 93.813 -26.017 -0.308 1.00 0.00 C ATOM 788 CD2 LEU A 49 91.724 -26.266 -1.653 1.00 0.00 C ATOM 0 H LEU A 49 91.588 -25.700 2.663 1.00 0.00 H new ATOM 0 HA LEU A 49 89.859 -26.322 0.509 1.00 0.00 H new ATOM 0 HB2 LEU A 49 92.552 -27.323 1.476 1.00 0.00 H new ATOM 0 HB3 LEU A 49 91.780 -28.113 0.116 1.00 0.00 H new ATOM 0 HG LEU A 49 91.920 -25.093 0.145 1.00 0.00 H new ATOM 0 HD11 LEU A 49 94.137 -25.208 -0.963 1.00 0.00 H new ATOM 0 HD12 LEU A 49 94.215 -25.857 0.692 1.00 0.00 H new ATOM 0 HD13 LEU A 49 94.178 -26.967 -0.698 1.00 0.00 H new ATOM 0 HD21 LEU A 49 92.049 -25.457 -2.307 1.00 0.00 H new ATOM 0 HD22 LEU A 49 92.088 -27.217 -2.043 1.00 0.00 H new ATOM 0 HD23 LEU A 49 90.635 -26.284 -1.612 1.00 0.00 H new ATOM 800 N ARG A 50 89.230 -28.866 0.717 1.00 0.00 N ATOM 801 CA ARG A 50 88.527 -30.137 1.053 1.00 0.00 C ATOM 802 C ARG A 50 89.401 -30.964 1.997 1.00 0.00 C ATOM 803 O ARG A 50 88.944 -31.462 3.006 1.00 0.00 O ATOM 804 CB ARG A 50 88.262 -30.931 -0.227 1.00 0.00 C ATOM 805 CG ARG A 50 89.504 -30.897 -1.120 1.00 0.00 C ATOM 806 CD ARG A 50 89.207 -31.619 -2.437 1.00 0.00 C ATOM 807 NE ARG A 50 90.220 -31.228 -3.456 1.00 0.00 N ATOM 808 CZ ARG A 50 91.413 -31.753 -3.425 1.00 0.00 C ATOM 809 NH1 ARG A 50 92.301 -31.413 -4.320 1.00 0.00 N ATOM 810 NH2 ARG A 50 91.720 -32.622 -2.500 1.00 0.00 N ATOM 0 H ARG A 50 89.264 -28.638 -0.277 1.00 0.00 H new ATOM 0 HA ARG A 50 87.578 -29.911 1.539 1.00 0.00 H new ATOM 0 HB2 ARG A 50 88.007 -31.962 0.019 1.00 0.00 H new ATOM 0 HB3 ARG A 50 87.409 -30.509 -0.758 1.00 0.00 H new ATOM 0 HG2 ARG A 50 89.795 -29.865 -1.316 1.00 0.00 H new ATOM 0 HG3 ARG A 50 90.343 -31.374 -0.613 1.00 0.00 H new ATOM 0 HD2 ARG A 50 89.226 -32.698 -2.285 1.00 0.00 H new ATOM 0 HD3 ARG A 50 88.207 -31.364 -2.787 1.00 0.00 H new ATOM 0 HE ARG A 50 89.980 -30.549 -4.179 1.00 0.00 H new ATOM 0 HH11 ARG A 50 92.062 -30.736 -5.044 1.00 0.00 H new ATOM 0 HH12 ARG A 50 93.234 -31.824 -4.295 1.00 0.00 H new ATOM 0 HH21 ARG A 50 91.026 -32.890 -1.802 1.00 0.00 H new ATOM 0 HH22 ARG A 50 92.653 -33.033 -2.476 1.00 0.00 H new ATOM 824 N ASN A 51 90.658 -31.114 1.679 1.00 0.00 N ATOM 825 CA ASN A 51 91.560 -31.909 2.560 1.00 0.00 C ATOM 826 C ASN A 51 91.810 -31.133 3.853 1.00 0.00 C ATOM 827 O ASN A 51 92.019 -31.706 4.904 1.00 0.00 O ATOM 828 CB ASN A 51 92.890 -32.154 1.844 1.00 0.00 C ATOM 829 CG ASN A 51 92.771 -33.392 0.954 1.00 0.00 C ATOM 830 OD1 ASN A 51 91.971 -33.422 0.040 1.00 0.00 O ATOM 831 ND2 ASN A 51 93.538 -34.422 1.185 1.00 0.00 N ATOM 0 H ASN A 51 91.099 -30.721 0.848 1.00 0.00 H new ATOM 0 HA ASN A 51 91.095 -32.867 2.792 1.00 0.00 H new ATOM 0 HB2 ASN A 51 93.157 -31.285 1.242 1.00 0.00 H new ATOM 0 HB3 ASN A 51 93.688 -32.293 2.574 1.00 0.00 H new ATOM 0 HD21 ASN A 51 93.466 -35.253 0.598 1.00 0.00 H new ATOM 0 HD22 ASN A 51 94.209 -34.396 1.952 1.00 0.00 H new ATOM 838 N GLY A 52 91.785 -29.830 3.785 1.00 0.00 N ATOM 839 CA GLY A 52 92.016 -29.013 5.010 1.00 0.00 C ATOM 840 C GLY A 52 93.441 -28.457 5.000 1.00 0.00 C ATOM 841 O GLY A 52 94.072 -28.329 6.031 1.00 0.00 O ATOM 0 H GLY A 52 91.614 -29.295 2.933 1.00 0.00 H new ATOM 0 HA2 GLY A 52 91.297 -28.195 5.054 1.00 0.00 H new ATOM 0 HA3 GLY A 52 91.860 -29.623 5.900 1.00 0.00 H new ATOM 845 N ASN A 53 93.956 -28.125 3.846 1.00 0.00 N ATOM 846 CA ASN A 53 95.338 -27.578 3.785 1.00 0.00 C ATOM 847 C ASN A 53 95.286 -26.060 3.916 1.00 0.00 C ATOM 848 O ASN A 53 96.246 -25.361 3.661 1.00 0.00 O ATOM 849 CB ASN A 53 95.987 -27.962 2.454 1.00 0.00 C ATOM 850 CG ASN A 53 97.500 -28.093 2.638 1.00 0.00 C ATOM 851 OD1 ASN A 53 98.226 -27.129 2.513 1.00 0.00 O ATOM 852 ND2 ASN A 53 98.010 -29.259 2.931 1.00 0.00 N ATOM 0 H ASN A 53 93.480 -28.209 2.948 1.00 0.00 H new ATOM 0 HA ASN A 53 95.930 -27.992 4.601 1.00 0.00 H new ATOM 0 HB2 ASN A 53 95.572 -28.903 2.094 1.00 0.00 H new ATOM 0 HB3 ASN A 53 95.767 -27.207 1.699 1.00 0.00 H new ATOM 0 HD21 ASN A 53 99.018 -29.358 3.055 1.00 0.00 H new ATOM 0 HD22 ASN A 53 97.401 -30.070 3.036 1.00 0.00 H new ATOM 859 N LEU A 54 94.160 -25.559 4.316 1.00 0.00 N ATOM 860 CA LEU A 54 93.998 -24.093 4.480 1.00 0.00 C ATOM 861 C LEU A 54 94.631 -23.375 3.290 1.00 0.00 C ATOM 862 O LEU A 54 95.823 -23.148 3.245 1.00 0.00 O ATOM 863 CB LEU A 54 94.659 -23.638 5.782 1.00 0.00 C ATOM 864 CG LEU A 54 93.641 -23.709 6.926 1.00 0.00 C ATOM 865 CD1 LEU A 54 94.315 -23.293 8.234 1.00 0.00 C ATOM 866 CD2 LEU A 54 92.466 -22.765 6.634 1.00 0.00 C ATOM 0 H LEU A 54 93.331 -26.110 4.540 1.00 0.00 H new ATOM 0 HA LEU A 54 92.937 -23.848 4.523 1.00 0.00 H new ATOM 0 HB2 LEU A 54 95.518 -24.270 6.006 1.00 0.00 H new ATOM 0 HB3 LEU A 54 95.032 -22.619 5.676 1.00 0.00 H new ATOM 0 HG LEU A 54 93.270 -24.730 7.015 1.00 0.00 H new ATOM 0 HD11 LEU A 54 93.592 -23.343 9.048 1.00 0.00 H new ATOM 0 HD12 LEU A 54 95.146 -23.966 8.445 1.00 0.00 H new ATOM 0 HD13 LEU A 54 94.688 -22.273 8.143 1.00 0.00 H new ATOM 0 HD21 LEU A 54 91.745 -22.819 7.450 1.00 0.00 H new ATOM 0 HD22 LEU A 54 92.834 -21.743 6.542 1.00 0.00 H new ATOM 0 HD23 LEU A 54 91.983 -23.062 5.703 1.00 0.00 H new ATOM 878 N GLN A 55 93.833 -23.022 2.323 1.00 0.00 N ATOM 879 CA GLN A 55 94.375 -22.322 1.124 1.00 0.00 C ATOM 880 C GLN A 55 94.783 -20.897 1.503 1.00 0.00 C ATOM 881 O GLN A 55 93.962 -20.089 1.880 1.00 0.00 O ATOM 882 CB GLN A 55 93.302 -22.271 0.034 1.00 0.00 C ATOM 883 CG GLN A 55 93.743 -21.313 -1.075 1.00 0.00 C ATOM 884 CD GLN A 55 92.897 -21.555 -2.326 1.00 0.00 C ATOM 885 OE1 GLN A 55 92.452 -22.659 -2.567 1.00 0.00 O ATOM 886 NE2 GLN A 55 92.656 -20.563 -3.137 1.00 0.00 N ATOM 0 H GLN A 55 92.827 -23.188 2.310 1.00 0.00 H new ATOM 0 HA GLN A 55 95.246 -22.862 0.753 1.00 0.00 H new ATOM 0 HB2 GLN A 55 93.138 -23.268 -0.376 1.00 0.00 H new ATOM 0 HB3 GLN A 55 92.354 -21.941 0.458 1.00 0.00 H new ATOM 0 HG2 GLN A 55 93.633 -20.281 -0.743 1.00 0.00 H new ATOM 0 HG3 GLN A 55 94.798 -21.464 -1.302 1.00 0.00 H new ATOM 0 HE21 GLN A 55 93.030 -19.636 -2.934 1.00 0.00 H new ATOM 0 HE22 GLN A 55 92.093 -20.714 -3.974 1.00 0.00 H new ATOM 895 N TYR A 56 96.049 -20.585 1.407 1.00 0.00 N ATOM 896 CA TYR A 56 96.508 -19.213 1.767 1.00 0.00 C ATOM 897 C TYR A 56 96.715 -18.384 0.497 1.00 0.00 C ATOM 898 O TYR A 56 97.585 -18.662 -0.304 1.00 0.00 O ATOM 899 CB TYR A 56 97.832 -19.302 2.528 1.00 0.00 C ATOM 900 CG TYR A 56 97.611 -19.991 3.854 1.00 0.00 C ATOM 901 CD1 TYR A 56 97.622 -21.389 3.926 1.00 0.00 C ATOM 902 CD2 TYR A 56 97.398 -19.232 5.010 1.00 0.00 C ATOM 903 CE1 TYR A 56 97.420 -22.028 5.154 1.00 0.00 C ATOM 904 CE2 TYR A 56 97.196 -19.870 6.239 1.00 0.00 C ATOM 905 CZ TYR A 56 97.207 -21.269 6.312 1.00 0.00 C ATOM 906 OH TYR A 56 97.007 -21.899 7.523 1.00 0.00 O ATOM 0 H TYR A 56 96.783 -21.221 1.095 1.00 0.00 H new ATOM 0 HA TYR A 56 95.753 -18.737 2.392 1.00 0.00 H new ATOM 0 HB2 TYR A 56 98.565 -19.853 1.939 1.00 0.00 H new ATOM 0 HB3 TYR A 56 98.238 -18.303 2.689 1.00 0.00 H new ATOM 0 HD1 TYR A 56 97.786 -21.974 3.033 1.00 0.00 H new ATOM 0 HD2 TYR A 56 97.389 -18.153 4.954 1.00 0.00 H new ATOM 0 HE1 TYR A 56 97.428 -23.107 5.209 1.00 0.00 H new ATOM 0 HE2 TYR A 56 97.032 -19.284 7.131 1.00 0.00 H new ATOM 0 HH TYR A 56 96.876 -21.227 8.224 1.00 0.00 H new ATOM 916 N ASP A 57 95.929 -17.358 0.318 1.00 0.00 N ATOM 917 CA ASP A 57 96.084 -16.490 -0.886 1.00 0.00 C ATOM 918 C ASP A 57 96.374 -15.063 -0.417 1.00 0.00 C ATOM 919 O ASP A 57 96.032 -14.687 0.687 1.00 0.00 O ATOM 920 CB ASP A 57 94.789 -16.519 -1.710 1.00 0.00 C ATOM 921 CG ASP A 57 95.087 -17.047 -3.117 1.00 0.00 C ATOM 922 OD1 ASP A 57 95.467 -16.251 -3.959 1.00 0.00 O ATOM 923 OD2 ASP A 57 94.929 -18.237 -3.326 1.00 0.00 O ATOM 0 H ASP A 57 95.183 -17.082 0.956 1.00 0.00 H new ATOM 0 HA ASP A 57 96.903 -16.849 -1.509 1.00 0.00 H new ATOM 0 HB2 ASP A 57 94.049 -17.153 -1.222 1.00 0.00 H new ATOM 0 HB3 ASP A 57 94.361 -15.518 -1.769 1.00 0.00 H new ATOM 928 N LEU A 58 97.014 -14.266 -1.230 1.00 0.00 N ATOM 929 CA LEU A 58 97.327 -12.873 -0.795 1.00 0.00 C ATOM 930 C LEU A 58 96.952 -11.874 -1.890 1.00 0.00 C ATOM 931 O LEU A 58 97.033 -12.160 -3.068 1.00 0.00 O ATOM 932 CB LEU A 58 98.824 -12.758 -0.495 1.00 0.00 C ATOM 933 CG LEU A 58 99.182 -13.660 0.691 1.00 0.00 C ATOM 934 CD1 LEU A 58 99.621 -15.033 0.175 1.00 0.00 C ATOM 935 CD2 LEU A 58 100.328 -13.028 1.484 1.00 0.00 C ATOM 0 H LEU A 58 97.331 -14.515 -2.167 1.00 0.00 H new ATOM 0 HA LEU A 58 96.750 -12.647 0.101 1.00 0.00 H new ATOM 0 HB2 LEU A 58 99.404 -13.046 -1.372 1.00 0.00 H new ATOM 0 HB3 LEU A 58 99.081 -11.723 -0.268 1.00 0.00 H new ATOM 0 HG LEU A 58 98.310 -13.774 1.335 1.00 0.00 H new ATOM 0 HD11 LEU A 58 99.876 -15.674 1.019 1.00 0.00 H new ATOM 0 HD12 LEU A 58 98.808 -15.486 -0.392 1.00 0.00 H new ATOM 0 HD13 LEU A 58 100.493 -14.918 -0.469 1.00 0.00 H new ATOM 0 HD21 LEU A 58 100.583 -13.669 2.328 1.00 0.00 H new ATOM 0 HD22 LEU A 58 101.199 -12.915 0.838 1.00 0.00 H new ATOM 0 HD23 LEU A 58 100.020 -12.049 1.852 1.00 0.00 H new ATOM 947 N HIS A 59 96.549 -10.695 -1.500 1.00 0.00 N ATOM 948 CA HIS A 59 96.174 -9.654 -2.498 1.00 0.00 C ATOM 949 C HIS A 59 96.462 -8.273 -1.906 1.00 0.00 C ATOM 950 O HIS A 59 96.026 -7.953 -0.818 1.00 0.00 O ATOM 951 CB HIS A 59 94.682 -9.772 -2.825 1.00 0.00 C ATOM 952 CG HIS A 59 94.255 -11.210 -2.710 1.00 0.00 C ATOM 953 ND1 HIS A 59 93.972 -11.989 -3.825 1.00 0.00 N ATOM 954 CD2 HIS A 59 94.056 -12.026 -1.622 1.00 0.00 C ATOM 955 CE1 HIS A 59 93.621 -13.212 -3.386 1.00 0.00 C ATOM 956 NE2 HIS A 59 93.657 -13.285 -2.055 1.00 0.00 N ATOM 0 H HIS A 59 96.463 -10.407 -0.525 1.00 0.00 H new ATOM 0 HA HIS A 59 96.752 -9.792 -3.412 1.00 0.00 H new ATOM 0 HB2 HIS A 59 94.099 -9.153 -2.143 1.00 0.00 H new ATOM 0 HB3 HIS A 59 94.490 -9.404 -3.833 1.00 0.00 H new ATOM 0 HD2 HIS A 59 94.189 -11.734 -0.591 1.00 0.00 H new ATOM 0 HE1 HIS A 59 93.345 -14.032 -4.032 1.00 0.00 H new ATOM 0 HE2 HIS A 59 93.438 -14.095 -1.476 1.00 0.00 H new ATOM 964 N TYR A 60 97.198 -7.450 -2.606 1.00 0.00 N ATOM 965 CA TYR A 60 97.515 -6.093 -2.071 1.00 0.00 C ATOM 966 C TYR A 60 96.878 -5.021 -2.957 1.00 0.00 C ATOM 967 O TYR A 60 96.984 -5.057 -4.166 1.00 0.00 O ATOM 968 CB TYR A 60 99.032 -5.897 -2.043 1.00 0.00 C ATOM 969 CG TYR A 60 99.643 -6.469 -3.300 1.00 0.00 C ATOM 970 CD1 TYR A 60 100.174 -5.612 -4.272 1.00 0.00 C ATOM 971 CD2 TYR A 60 99.679 -7.856 -3.493 1.00 0.00 C ATOM 972 CE1 TYR A 60 100.742 -6.142 -5.436 1.00 0.00 C ATOM 973 CE2 TYR A 60 100.247 -8.385 -4.657 1.00 0.00 C ATOM 974 CZ TYR A 60 100.779 -7.528 -5.628 1.00 0.00 C ATOM 975 OH TYR A 60 101.339 -8.051 -6.778 1.00 0.00 O ATOM 0 H TYR A 60 97.593 -7.658 -3.523 1.00 0.00 H new ATOM 0 HA TYR A 60 97.116 -6.005 -1.060 1.00 0.00 H new ATOM 0 HB2 TYR A 60 99.270 -4.836 -1.962 1.00 0.00 H new ATOM 0 HB3 TYR A 60 99.455 -6.387 -1.166 1.00 0.00 H new ATOM 0 HD1 TYR A 60 100.145 -4.543 -4.123 1.00 0.00 H new ATOM 0 HD2 TYR A 60 99.269 -8.517 -2.744 1.00 0.00 H new ATOM 0 HE1 TYR A 60 101.152 -5.482 -6.186 1.00 0.00 H new ATOM 0 HE2 TYR A 60 100.275 -9.454 -4.807 1.00 0.00 H new ATOM 0 HH TYR A 60 101.285 -9.029 -6.753 1.00 0.00 H new ATOM 985 N TRP A 61 96.220 -4.065 -2.361 1.00 0.00 N ATOM 986 CA TRP A 61 95.576 -2.984 -3.160 1.00 0.00 C ATOM 987 C TRP A 61 96.432 -1.717 -3.077 1.00 0.00 C ATOM 988 O TRP A 61 96.726 -1.224 -2.005 1.00 0.00 O ATOM 989 CB TRP A 61 94.182 -2.697 -2.599 1.00 0.00 C ATOM 990 CG TRP A 61 93.336 -2.060 -3.656 1.00 0.00 C ATOM 991 CD1 TRP A 61 92.553 -2.730 -4.532 1.00 0.00 C ATOM 992 CD2 TRP A 61 93.173 -0.645 -3.960 1.00 0.00 C ATOM 993 NE1 TRP A 61 91.921 -1.817 -5.357 1.00 0.00 N ATOM 994 CE2 TRP A 61 92.270 -0.519 -5.044 1.00 0.00 C ATOM 995 CE3 TRP A 61 93.715 0.529 -3.407 1.00 0.00 C ATOM 996 CZ2 TRP A 61 91.919 0.729 -5.560 1.00 0.00 C ATOM 997 CZ3 TRP A 61 93.362 1.786 -3.925 1.00 0.00 C ATOM 998 CH2 TRP A 61 92.467 1.886 -4.999 1.00 0.00 C ATOM 0 H TRP A 61 96.100 -3.986 -1.351 1.00 0.00 H new ATOM 0 HA TRP A 61 95.489 -3.299 -4.200 1.00 0.00 H new ATOM 0 HB2 TRP A 61 93.719 -3.623 -2.257 1.00 0.00 H new ATOM 0 HB3 TRP A 61 94.256 -2.039 -1.733 1.00 0.00 H new ATOM 0 HD1 TRP A 61 92.440 -3.803 -4.580 1.00 0.00 H new ATOM 0 HE1 TRP A 61 91.276 -2.072 -6.105 1.00 0.00 H new ATOM 0 HE3 TRP A 61 94.406 0.464 -2.580 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 91.228 0.800 -6.387 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 93.783 2.682 -3.493 1.00 0.00 H new ATOM 0 HH2 TRP A 61 92.201 2.856 -5.393 1.00 0.00 H new ATOM 1009 N LEU A 62 96.840 -1.189 -4.202 1.00 0.00 N ATOM 1010 CA LEU A 62 97.681 0.042 -4.190 1.00 0.00 C ATOM 1011 C LEU A 62 96.818 1.258 -4.530 1.00 0.00 C ATOM 1012 O LEU A 62 95.736 1.133 -5.068 1.00 0.00 O ATOM 1013 CB LEU A 62 98.800 -0.098 -5.225 1.00 0.00 C ATOM 1014 CG LEU A 62 99.440 -1.481 -5.102 1.00 0.00 C ATOM 1015 CD1 LEU A 62 100.527 -1.637 -6.166 1.00 0.00 C ATOM 1016 CD2 LEU A 62 100.062 -1.629 -3.712 1.00 0.00 C ATOM 0 H LEU A 62 96.626 -1.558 -5.128 1.00 0.00 H new ATOM 0 HA LEU A 62 98.115 0.175 -3.199 1.00 0.00 H new ATOM 0 HB2 LEU A 62 98.400 0.041 -6.229 1.00 0.00 H new ATOM 0 HB3 LEU A 62 99.551 0.677 -5.071 1.00 0.00 H new ATOM 0 HG LEU A 62 98.680 -2.249 -5.246 1.00 0.00 H new ATOM 0 HD11 LEU A 62 100.983 -2.623 -6.078 1.00 0.00 H new ATOM 0 HD12 LEU A 62 100.085 -1.529 -7.156 1.00 0.00 H new ATOM 0 HD13 LEU A 62 101.289 -0.871 -6.023 1.00 0.00 H new ATOM 0 HD21 LEU A 62 100.519 -2.614 -3.621 1.00 0.00 H new ATOM 0 HD22 LEU A 62 100.823 -0.861 -3.570 1.00 0.00 H new ATOM 0 HD23 LEU A 62 99.288 -1.517 -2.953 1.00 0.00 H new ATOM 1028 N GLY A 63 97.290 2.437 -4.221 1.00 0.00 N ATOM 1029 CA GLY A 63 96.499 3.665 -4.524 1.00 0.00 C ATOM 1030 C GLY A 63 97.176 4.449 -5.650 1.00 0.00 C ATOM 1031 O GLY A 63 98.369 4.351 -5.860 1.00 0.00 O ATOM 0 H GLY A 63 98.190 2.602 -3.771 1.00 0.00 H new ATOM 0 HA2 GLY A 63 95.485 3.393 -4.816 1.00 0.00 H new ATOM 0 HA3 GLY A 63 96.418 4.287 -3.632 1.00 0.00 H new ATOM 1035 N ASN A 64 96.421 5.227 -6.378 1.00 0.00 N ATOM 1036 CA ASN A 64 97.014 6.019 -7.492 1.00 0.00 C ATOM 1037 C ASN A 64 97.642 7.298 -6.934 1.00 0.00 C ATOM 1038 O ASN A 64 98.378 7.987 -7.613 1.00 0.00 O ATOM 1039 CB ASN A 64 95.921 6.385 -8.498 1.00 0.00 C ATOM 1040 CG ASN A 64 96.559 6.998 -9.746 1.00 0.00 C ATOM 1041 OD1 ASN A 64 97.390 6.381 -10.383 1.00 0.00 O ATOM 1042 ND2 ASN A 64 96.202 8.194 -10.125 1.00 0.00 N ATOM 0 H ASN A 64 95.417 5.348 -6.248 1.00 0.00 H new ATOM 0 HA ASN A 64 97.781 5.425 -7.989 1.00 0.00 H new ATOM 0 HB2 ASN A 64 95.349 5.497 -8.768 1.00 0.00 H new ATOM 0 HB3 ASN A 64 95.222 7.091 -8.050 1.00 0.00 H new ATOM 0 HD21 ASN A 64 96.620 8.612 -10.956 1.00 0.00 H new ATOM 0 HD22 ASN A 64 95.505 8.712 -9.590 1.00 0.00 H new ATOM 1049 N GLU A 65 97.365 7.614 -5.700 1.00 0.00 N ATOM 1050 CA GLU A 65 97.948 8.839 -5.091 1.00 0.00 C ATOM 1051 C GLU A 65 99.031 8.411 -4.109 1.00 0.00 C ATOM 1052 O GLU A 65 99.307 9.080 -3.131 1.00 0.00 O ATOM 1053 CB GLU A 65 96.855 9.617 -4.354 1.00 0.00 C ATOM 1054 CG GLU A 65 95.503 9.327 -5.008 1.00 0.00 C ATOM 1055 CD GLU A 65 94.463 10.324 -4.496 1.00 0.00 C ATOM 1056 OE1 GLU A 65 94.183 10.302 -3.308 1.00 0.00 O ATOM 1057 OE2 GLU A 65 93.964 11.095 -5.300 1.00 0.00 O ATOM 0 H GLU A 65 96.757 7.073 -5.085 1.00 0.00 H new ATOM 0 HA GLU A 65 98.373 9.481 -5.862 1.00 0.00 H new ATOM 0 HB2 GLU A 65 96.833 9.329 -3.303 1.00 0.00 H new ATOM 0 HB3 GLU A 65 97.067 10.686 -4.388 1.00 0.00 H new ATOM 0 HG2 GLU A 65 95.589 9.400 -6.092 1.00 0.00 H new ATOM 0 HG3 GLU A 65 95.188 8.308 -4.781 1.00 0.00 H new ATOM 1064 N CYS A 66 99.645 7.296 -4.373 1.00 0.00 N ATOM 1065 CA CYS A 66 100.710 6.794 -3.487 1.00 0.00 C ATOM 1066 C CYS A 66 101.914 6.432 -4.342 1.00 0.00 C ATOM 1067 O CYS A 66 101.997 5.369 -4.925 1.00 0.00 O ATOM 1068 CB CYS A 66 100.217 5.558 -2.753 1.00 0.00 C ATOM 1069 SG CYS A 66 99.479 6.045 -1.174 1.00 0.00 S ATOM 0 H CYS A 66 99.446 6.706 -5.181 1.00 0.00 H new ATOM 0 HA CYS A 66 100.984 7.556 -2.757 1.00 0.00 H new ATOM 0 HB2 CYS A 66 99.483 5.030 -3.362 1.00 0.00 H new ATOM 0 HB3 CYS A 66 101.045 4.869 -2.582 1.00 0.00 H new ATOM 0 HG CYS A 66 100.331 5.837 -0.214 1.00 0.00 H new ATOM 1075 N SER A 67 102.835 7.322 -4.413 1.00 0.00 N ATOM 1076 CA SER A 67 104.066 7.093 -5.222 1.00 0.00 C ATOM 1077 C SER A 67 104.519 5.639 -5.072 1.00 0.00 C ATOM 1078 O SER A 67 104.129 4.948 -4.152 1.00 0.00 O ATOM 1079 CB SER A 67 105.175 8.023 -4.734 1.00 0.00 C ATOM 1080 OG SER A 67 104.958 9.328 -5.254 1.00 0.00 O ATOM 0 H SER A 67 102.799 8.224 -3.939 1.00 0.00 H new ATOM 0 HA SER A 67 103.852 7.298 -6.271 1.00 0.00 H new ATOM 0 HB2 SER A 67 105.188 8.051 -3.644 1.00 0.00 H new ATOM 0 HB3 SER A 67 106.147 7.648 -5.055 1.00 0.00 H new ATOM 0 HG SER A 67 105.667 9.927 -4.941 1.00 0.00 H new ATOM 1086 N GLN A 68 105.338 5.171 -5.974 1.00 0.00 N ATOM 1087 CA GLN A 68 105.819 3.764 -5.888 1.00 0.00 C ATOM 1088 C GLN A 68 106.486 3.530 -4.531 1.00 0.00 C ATOM 1089 O GLN A 68 106.676 2.409 -4.109 1.00 0.00 O ATOM 1090 CB GLN A 68 106.829 3.499 -7.007 1.00 0.00 C ATOM 1091 CG GLN A 68 106.097 2.971 -8.242 1.00 0.00 C ATOM 1092 CD GLN A 68 105.878 1.463 -8.100 1.00 0.00 C ATOM 1093 OE1 GLN A 68 106.735 0.756 -7.611 1.00 0.00 O ATOM 1094 NE2 GLN A 68 104.755 0.939 -8.510 1.00 0.00 N ATOM 0 H GLN A 68 105.695 5.703 -6.767 1.00 0.00 H new ATOM 0 HA GLN A 68 104.972 3.086 -5.995 1.00 0.00 H new ATOM 0 HB2 GLN A 68 107.364 4.416 -7.253 1.00 0.00 H new ATOM 0 HB3 GLN A 68 107.573 2.775 -6.675 1.00 0.00 H new ATOM 0 HG2 GLN A 68 105.139 3.479 -8.355 1.00 0.00 H new ATOM 0 HG3 GLN A 68 106.678 3.182 -9.140 1.00 0.00 H new ATOM 0 HE21 GLN A 68 104.035 1.533 -8.921 1.00 0.00 H new ATOM 0 HE22 GLN A 68 104.597 -0.065 -8.419 1.00 0.00 H new ATOM 1103 N ASP A 69 106.847 4.580 -3.847 1.00 0.00 N ATOM 1104 CA ASP A 69 107.504 4.411 -2.520 1.00 0.00 C ATOM 1105 C ASP A 69 106.526 3.748 -1.551 1.00 0.00 C ATOM 1106 O ASP A 69 106.790 2.692 -1.011 1.00 0.00 O ATOM 1107 CB ASP A 69 107.918 5.779 -1.974 1.00 0.00 C ATOM 1108 CG ASP A 69 109.080 5.607 -0.993 1.00 0.00 C ATOM 1109 OD1 ASP A 69 109.955 6.457 -0.988 1.00 0.00 O ATOM 1110 OD2 ASP A 69 109.073 4.630 -0.263 1.00 0.00 O ATOM 0 H ASP A 69 106.716 5.546 -4.148 1.00 0.00 H new ATOM 0 HA ASP A 69 108.389 3.784 -2.630 1.00 0.00 H new ATOM 0 HB2 ASP A 69 108.214 6.435 -2.793 1.00 0.00 H new ATOM 0 HB3 ASP A 69 107.074 6.254 -1.474 1.00 0.00 H new ATOM 1115 N GLU A 70 105.398 4.357 -1.331 1.00 0.00 N ATOM 1116 CA GLU A 70 104.400 3.760 -0.400 1.00 0.00 C ATOM 1117 C GLU A 70 103.971 2.396 -0.939 1.00 0.00 C ATOM 1118 O GLU A 70 104.049 1.391 -0.261 1.00 0.00 O ATOM 1119 CB GLU A 70 103.181 4.679 -0.295 1.00 0.00 C ATOM 1120 CG GLU A 70 103.410 5.708 0.814 1.00 0.00 C ATOM 1121 CD GLU A 70 102.139 6.537 1.013 1.00 0.00 C ATOM 1122 OE1 GLU A 70 101.064 5.967 0.927 1.00 0.00 O ATOM 1123 OE2 GLU A 70 102.264 7.726 1.250 1.00 0.00 O ATOM 0 H GLU A 70 105.122 5.243 -1.755 1.00 0.00 H new ATOM 0 HA GLU A 70 104.843 3.642 0.589 1.00 0.00 H new ATOM 0 HB2 GLU A 70 103.011 5.185 -1.245 1.00 0.00 H new ATOM 0 HB3 GLU A 70 102.287 4.092 -0.082 1.00 0.00 H new ATOM 0 HG2 GLU A 70 103.677 5.204 1.743 1.00 0.00 H new ATOM 0 HG3 GLU A 70 104.244 6.359 0.554 1.00 0.00 H new ATOM 1130 N SER A 71 103.523 2.355 -2.161 1.00 0.00 N ATOM 1131 CA SER A 71 103.095 1.059 -2.756 1.00 0.00 C ATOM 1132 C SER A 71 104.306 0.131 -2.854 1.00 0.00 C ATOM 1133 O SER A 71 104.178 -1.078 -2.844 1.00 0.00 O ATOM 1134 CB SER A 71 102.519 1.301 -4.151 1.00 0.00 C ATOM 1135 OG SER A 71 103.182 2.411 -4.746 1.00 0.00 O ATOM 0 H SER A 71 103.434 3.164 -2.775 1.00 0.00 H new ATOM 0 HA SER A 71 102.331 0.600 -2.128 1.00 0.00 H new ATOM 0 HB2 SER A 71 102.646 0.412 -4.769 1.00 0.00 H new ATOM 0 HB3 SER A 71 101.448 1.494 -4.087 1.00 0.00 H new ATOM 0 HG SER A 71 102.667 3.228 -4.579 1.00 0.00 H new ATOM 1141 N GLY A 72 105.484 0.687 -2.944 1.00 0.00 N ATOM 1142 CA GLY A 72 106.702 -0.163 -3.037 1.00 0.00 C ATOM 1143 C GLY A 72 106.943 -0.849 -1.693 1.00 0.00 C ATOM 1144 O GLY A 72 107.279 -2.015 -1.630 1.00 0.00 O ATOM 0 H GLY A 72 105.654 1.693 -2.957 1.00 0.00 H new ATOM 0 HA2 GLY A 72 106.580 -0.909 -3.822 1.00 0.00 H new ATOM 0 HA3 GLY A 72 107.565 0.446 -3.307 1.00 0.00 H new ATOM 1148 N ALA A 73 106.770 -0.135 -0.612 1.00 0.00 N ATOM 1149 CA ALA A 73 106.984 -0.751 0.727 1.00 0.00 C ATOM 1150 C ALA A 73 105.958 -1.861 0.941 1.00 0.00 C ATOM 1151 O ALA A 73 106.286 -2.953 1.359 1.00 0.00 O ATOM 1152 CB ALA A 73 106.819 0.315 1.812 1.00 0.00 C ATOM 0 H ALA A 73 106.490 0.846 -0.600 1.00 0.00 H new ATOM 0 HA ALA A 73 107.990 -1.168 0.781 1.00 0.00 H new ATOM 0 HB1 ALA A 73 106.976 -0.136 2.792 1.00 0.00 H new ATOM 0 HB2 ALA A 73 107.550 1.108 1.657 1.00 0.00 H new ATOM 0 HB3 ALA A 73 105.814 0.733 1.761 1.00 0.00 H new ATOM 1158 N ALA A 74 104.718 -1.590 0.649 1.00 0.00 N ATOM 1159 CA ALA A 74 103.667 -2.629 0.828 1.00 0.00 C ATOM 1160 C ALA A 74 103.976 -3.816 -0.088 1.00 0.00 C ATOM 1161 O ALA A 74 103.929 -4.959 0.321 1.00 0.00 O ATOM 1162 CB ALA A 74 102.301 -2.044 0.463 1.00 0.00 C ATOM 0 H ALA A 74 104.386 -0.693 0.294 1.00 0.00 H new ATOM 0 HA ALA A 74 103.651 -2.960 1.866 1.00 0.00 H new ATOM 0 HB1 ALA A 74 101.532 -2.805 0.594 1.00 0.00 H new ATOM 0 HB2 ALA A 74 102.084 -1.194 1.110 1.00 0.00 H new ATOM 0 HB3 ALA A 74 102.312 -1.715 -0.576 1.00 0.00 H new ATOM 1168 N ALA A 75 104.298 -3.550 -1.325 1.00 0.00 N ATOM 1169 CA ALA A 75 104.617 -4.660 -2.264 1.00 0.00 C ATOM 1170 C ALA A 75 105.771 -5.486 -1.695 1.00 0.00 C ATOM 1171 O ALA A 75 105.765 -6.700 -1.752 1.00 0.00 O ATOM 1172 CB ALA A 75 105.023 -4.079 -3.620 1.00 0.00 C ATOM 0 H ALA A 75 104.354 -2.613 -1.724 1.00 0.00 H new ATOM 0 HA ALA A 75 103.741 -5.296 -2.391 1.00 0.00 H new ATOM 0 HB1 ALA A 75 105.257 -4.891 -4.308 1.00 0.00 H new ATOM 0 HB2 ALA A 75 104.201 -3.487 -4.023 1.00 0.00 H new ATOM 0 HB3 ALA A 75 105.901 -3.444 -3.496 1.00 0.00 H new ATOM 1178 N ILE A 76 106.761 -4.838 -1.142 1.00 0.00 N ATOM 1179 CA ILE A 76 107.910 -5.588 -0.566 1.00 0.00 C ATOM 1180 C ILE A 76 107.397 -6.556 0.502 1.00 0.00 C ATOM 1181 O ILE A 76 107.772 -7.711 0.538 1.00 0.00 O ATOM 1182 CB ILE A 76 108.898 -4.603 0.066 1.00 0.00 C ATOM 1183 CG1 ILE A 76 109.685 -3.895 -1.038 1.00 0.00 C ATOM 1184 CG2 ILE A 76 109.867 -5.360 0.975 1.00 0.00 C ATOM 1185 CD1 ILE A 76 110.468 -2.725 -0.438 1.00 0.00 C ATOM 0 H ILE A 76 106.822 -3.823 -1.065 1.00 0.00 H new ATOM 0 HA ILE A 76 108.413 -6.148 -1.354 1.00 0.00 H new ATOM 0 HB ILE A 76 108.350 -3.867 0.654 1.00 0.00 H new ATOM 0 HG12 ILE A 76 110.368 -4.595 -1.518 1.00 0.00 H new ATOM 0 HG13 ILE A 76 109.005 -3.534 -1.809 1.00 0.00 H new ATOM 0 HG21 ILE A 76 110.569 -4.657 1.424 1.00 0.00 H new ATOM 0 HG22 ILE A 76 109.308 -5.866 1.762 1.00 0.00 H new ATOM 0 HG23 ILE A 76 110.416 -6.097 0.388 1.00 0.00 H new ATOM 0 HD11 ILE A 76 111.029 -2.221 -1.225 1.00 0.00 H new ATOM 0 HD12 ILE A 76 109.775 -2.021 0.022 1.00 0.00 H new ATOM 0 HD13 ILE A 76 111.159 -3.099 0.317 1.00 0.00 H new ATOM 1197 N PHE A 77 106.542 -6.095 1.371 1.00 0.00 N ATOM 1198 CA PHE A 77 106.004 -6.992 2.433 1.00 0.00 C ATOM 1199 C PHE A 77 105.298 -8.178 1.777 1.00 0.00 C ATOM 1200 O PHE A 77 105.338 -9.288 2.269 1.00 0.00 O ATOM 1201 CB PHE A 77 105.008 -6.218 3.304 1.00 0.00 C ATOM 1202 CG PHE A 77 105.732 -5.617 4.486 1.00 0.00 C ATOM 1203 CD1 PHE A 77 105.097 -5.548 5.732 1.00 0.00 C ATOM 1204 CD2 PHE A 77 107.035 -5.129 4.337 1.00 0.00 C ATOM 1205 CE1 PHE A 77 105.765 -4.991 6.829 1.00 0.00 C ATOM 1206 CE2 PHE A 77 107.703 -4.572 5.434 1.00 0.00 C ATOM 1207 CZ PHE A 77 107.069 -4.502 6.680 1.00 0.00 C ATOM 0 H PHE A 77 106.192 -5.137 1.393 1.00 0.00 H new ATOM 0 HA PHE A 77 106.822 -7.352 3.058 1.00 0.00 H new ATOM 0 HB2 PHE A 77 104.531 -5.432 2.718 1.00 0.00 H new ATOM 0 HB3 PHE A 77 104.217 -6.884 3.649 1.00 0.00 H new ATOM 0 HD1 PHE A 77 104.091 -5.925 5.847 1.00 0.00 H new ATOM 0 HD2 PHE A 77 107.525 -5.182 3.376 1.00 0.00 H new ATOM 0 HE1 PHE A 77 105.275 -4.938 7.790 1.00 0.00 H new ATOM 0 HE2 PHE A 77 108.709 -4.196 5.319 1.00 0.00 H new ATOM 0 HZ PHE A 77 107.585 -4.071 7.526 1.00 0.00 H new ATOM 1217 N THR A 78 104.654 -7.955 0.664 1.00 0.00 N ATOM 1218 CA THR A 78 103.955 -9.074 -0.025 1.00 0.00 C ATOM 1219 C THR A 78 104.996 -9.998 -0.658 1.00 0.00 C ATOM 1220 O THR A 78 104.756 -11.171 -0.869 1.00 0.00 O ATOM 1221 CB THR A 78 103.038 -8.511 -1.114 1.00 0.00 C ATOM 1222 OG1 THR A 78 101.946 -7.834 -0.509 1.00 0.00 O ATOM 1223 CG2 THR A 78 102.514 -9.654 -1.984 1.00 0.00 C ATOM 0 H THR A 78 104.582 -7.048 0.204 1.00 0.00 H new ATOM 0 HA THR A 78 103.356 -9.633 0.694 1.00 0.00 H new ATOM 0 HB THR A 78 103.599 -7.813 -1.735 1.00 0.00 H new ATOM 0 HG1 THR A 78 101.359 -7.472 -1.205 1.00 0.00 H new ATOM 0 HG21 THR A 78 101.861 -9.252 -2.759 1.00 0.00 H new ATOM 0 HG22 THR A 78 103.353 -10.171 -2.449 1.00 0.00 H new ATOM 0 HG23 THR A 78 101.953 -10.355 -1.365 1.00 0.00 H new ATOM 1231 N VAL A 79 106.152 -9.477 -0.964 1.00 0.00 N ATOM 1232 CA VAL A 79 107.211 -10.320 -1.583 1.00 0.00 C ATOM 1233 C VAL A 79 107.789 -11.267 -0.533 1.00 0.00 C ATOM 1234 O VAL A 79 107.911 -12.456 -0.754 1.00 0.00 O ATOM 1235 CB VAL A 79 108.323 -9.425 -2.134 1.00 0.00 C ATOM 1236 CG1 VAL A 79 109.545 -10.279 -2.480 1.00 0.00 C ATOM 1237 CG2 VAL A 79 107.828 -8.714 -3.394 1.00 0.00 C ATOM 0 H VAL A 79 106.409 -8.502 -0.811 1.00 0.00 H new ATOM 0 HA VAL A 79 106.780 -10.902 -2.397 1.00 0.00 H new ATOM 0 HB VAL A 79 108.598 -8.686 -1.382 1.00 0.00 H new ATOM 0 HG11 VAL A 79 110.336 -9.640 -2.872 1.00 0.00 H new ATOM 0 HG12 VAL A 79 109.900 -10.787 -1.583 1.00 0.00 H new ATOM 0 HG13 VAL A 79 109.271 -11.019 -3.231 1.00 0.00 H new ATOM 0 HG21 VAL A 79 108.620 -8.076 -3.787 1.00 0.00 H new ATOM 0 HG22 VAL A 79 107.552 -9.454 -4.145 1.00 0.00 H new ATOM 0 HG23 VAL A 79 106.958 -8.104 -3.150 1.00 0.00 H new ATOM 1247 N GLN A 80 108.141 -10.755 0.612 1.00 0.00 N ATOM 1248 CA GLN A 80 108.702 -11.635 1.673 1.00 0.00 C ATOM 1249 C GLN A 80 107.616 -12.605 2.135 1.00 0.00 C ATOM 1250 O GLN A 80 107.880 -13.752 2.437 1.00 0.00 O ATOM 1251 CB GLN A 80 109.173 -10.787 2.856 1.00 0.00 C ATOM 1252 CG GLN A 80 108.006 -9.951 3.378 1.00 0.00 C ATOM 1253 CD GLN A 80 108.506 -8.994 4.461 1.00 0.00 C ATOM 1254 OE1 GLN A 80 108.353 -9.255 5.638 1.00 0.00 O ATOM 1255 NE2 GLN A 80 109.104 -7.887 4.112 1.00 0.00 N ATOM 0 H GLN A 80 108.065 -9.768 0.859 1.00 0.00 H new ATOM 0 HA GLN A 80 109.552 -12.191 1.278 1.00 0.00 H new ATOM 0 HB2 GLN A 80 109.557 -11.430 3.648 1.00 0.00 H new ATOM 0 HB3 GLN A 80 109.992 -10.136 2.548 1.00 0.00 H new ATOM 0 HG2 GLN A 80 107.554 -9.388 2.561 1.00 0.00 H new ATOM 0 HG3 GLN A 80 107.231 -10.602 3.783 1.00 0.00 H new ATOM 0 HE21 GLN A 80 109.233 -7.667 3.125 1.00 0.00 H new ATOM 0 HE22 GLN A 80 109.442 -7.243 4.827 1.00 0.00 H new ATOM 1264 N LEU A 81 106.392 -12.155 2.180 1.00 0.00 N ATOM 1265 CA LEU A 81 105.287 -13.054 2.610 1.00 0.00 C ATOM 1266 C LEU A 81 105.208 -14.235 1.641 1.00 0.00 C ATOM 1267 O LEU A 81 105.043 -15.371 2.042 1.00 0.00 O ATOM 1268 CB LEU A 81 103.961 -12.281 2.592 1.00 0.00 C ATOM 1269 CG LEU A 81 103.385 -12.204 4.007 1.00 0.00 C ATOM 1270 CD1 LEU A 81 102.244 -11.187 4.037 1.00 0.00 C ATOM 1271 CD2 LEU A 81 102.853 -13.581 4.418 1.00 0.00 C ATOM 0 H LEU A 81 106.111 -11.205 1.938 1.00 0.00 H new ATOM 0 HA LEU A 81 105.474 -13.417 3.621 1.00 0.00 H new ATOM 0 HB2 LEU A 81 104.121 -11.277 2.200 1.00 0.00 H new ATOM 0 HB3 LEU A 81 103.252 -12.774 1.927 1.00 0.00 H new ATOM 0 HG LEU A 81 104.166 -11.895 4.701 1.00 0.00 H new ATOM 0 HD11 LEU A 81 101.833 -11.131 5.045 1.00 0.00 H new ATOM 0 HD12 LEU A 81 102.622 -10.207 3.745 1.00 0.00 H new ATOM 0 HD13 LEU A 81 101.463 -11.496 3.343 1.00 0.00 H new ATOM 0 HD21 LEU A 81 102.443 -13.526 5.426 1.00 0.00 H new ATOM 0 HD22 LEU A 81 102.071 -13.891 3.724 1.00 0.00 H new ATOM 0 HD23 LEU A 81 103.666 -14.307 4.396 1.00 0.00 H new ATOM 1283 N ASP A 82 105.330 -13.976 0.367 1.00 0.00 N ATOM 1284 CA ASP A 82 105.268 -15.085 -0.623 1.00 0.00 C ATOM 1285 C ASP A 82 106.407 -16.066 -0.351 1.00 0.00 C ATOM 1286 O ASP A 82 106.185 -17.237 -0.119 1.00 0.00 O ATOM 1287 CB ASP A 82 105.404 -14.518 -2.038 1.00 0.00 C ATOM 1288 CG ASP A 82 105.301 -15.657 -3.056 1.00 0.00 C ATOM 1289 OD1 ASP A 82 105.632 -15.425 -4.208 1.00 0.00 O ATOM 1290 OD2 ASP A 82 104.894 -16.739 -2.666 1.00 0.00 O ATOM 0 H ASP A 82 105.470 -13.046 -0.029 1.00 0.00 H new ATOM 0 HA ASP A 82 104.312 -15.602 -0.534 1.00 0.00 H new ATOM 0 HB2 ASP A 82 104.624 -13.780 -2.222 1.00 0.00 H new ATOM 0 HB3 ASP A 82 106.360 -14.005 -2.146 1.00 0.00 H new ATOM 1295 N ASP A 83 107.626 -15.600 -0.365 1.00 0.00 N ATOM 1296 CA ASP A 83 108.764 -16.521 -0.095 1.00 0.00 C ATOM 1297 C ASP A 83 108.451 -17.331 1.160 1.00 0.00 C ATOM 1298 O ASP A 83 108.853 -18.469 1.296 1.00 0.00 O ATOM 1299 CB ASP A 83 110.044 -15.709 0.120 1.00 0.00 C ATOM 1300 CG ASP A 83 110.630 -15.308 -1.235 1.00 0.00 C ATOM 1301 OD1 ASP A 83 111.265 -16.145 -1.854 1.00 0.00 O ATOM 1302 OD2 ASP A 83 110.432 -14.170 -1.629 1.00 0.00 O ATOM 0 H ASP A 83 107.881 -14.630 -0.550 1.00 0.00 H new ATOM 0 HA ASP A 83 108.909 -17.191 -0.942 1.00 0.00 H new ATOM 0 HB2 ASP A 83 109.828 -14.820 0.712 1.00 0.00 H new ATOM 0 HB3 ASP A 83 110.770 -16.297 0.682 1.00 0.00 H new ATOM 1307 N TYR A 84 107.724 -16.753 2.075 1.00 0.00 N ATOM 1308 CA TYR A 84 107.369 -17.489 3.317 1.00 0.00 C ATOM 1309 C TYR A 84 106.220 -18.451 3.011 1.00 0.00 C ATOM 1310 O TYR A 84 106.107 -19.506 3.602 1.00 0.00 O ATOM 1311 CB TYR A 84 106.931 -16.493 4.393 1.00 0.00 C ATOM 1312 CG TYR A 84 106.329 -17.240 5.560 1.00 0.00 C ATOM 1313 CD1 TYR A 84 107.107 -18.153 6.282 1.00 0.00 C ATOM 1314 CD2 TYR A 84 104.995 -17.020 5.918 1.00 0.00 C ATOM 1315 CE1 TYR A 84 106.549 -18.845 7.364 1.00 0.00 C ATOM 1316 CE2 TYR A 84 104.437 -17.712 6.999 1.00 0.00 C ATOM 1317 CZ TYR A 84 105.214 -18.624 7.721 1.00 0.00 C ATOM 1318 OH TYR A 84 104.664 -19.307 8.788 1.00 0.00 O ATOM 0 H TYR A 84 107.361 -15.802 2.015 1.00 0.00 H new ATOM 0 HA TYR A 84 108.233 -18.048 3.676 1.00 0.00 H new ATOM 0 HB2 TYR A 84 107.785 -15.904 4.727 1.00 0.00 H new ATOM 0 HB3 TYR A 84 106.203 -15.794 3.981 1.00 0.00 H new ATOM 0 HD1 TYR A 84 108.137 -18.323 6.005 1.00 0.00 H new ATOM 0 HD2 TYR A 84 104.395 -16.316 5.360 1.00 0.00 H new ATOM 0 HE1 TYR A 84 107.148 -19.549 7.923 1.00 0.00 H new ATOM 0 HE2 TYR A 84 103.407 -17.542 7.276 1.00 0.00 H new ATOM 0 HH TYR A 84 103.729 -19.037 8.903 1.00 0.00 H new ATOM 1328 N LEU A 85 105.368 -18.093 2.085 1.00 0.00 N ATOM 1329 CA LEU A 85 104.229 -18.979 1.732 1.00 0.00 C ATOM 1330 C LEU A 85 104.297 -19.331 0.244 1.00 0.00 C ATOM 1331 O LEU A 85 103.289 -19.509 -0.408 1.00 0.00 O ATOM 1332 CB LEU A 85 102.910 -18.263 2.030 1.00 0.00 C ATOM 1333 CG LEU A 85 102.576 -18.399 3.517 1.00 0.00 C ATOM 1334 CD1 LEU A 85 101.698 -17.225 3.954 1.00 0.00 C ATOM 1335 CD2 LEU A 85 101.825 -19.711 3.754 1.00 0.00 C ATOM 0 H LEU A 85 105.416 -17.221 1.559 1.00 0.00 H new ATOM 0 HA LEU A 85 104.285 -19.893 2.323 1.00 0.00 H new ATOM 0 HB2 LEU A 85 102.987 -17.210 1.759 1.00 0.00 H new ATOM 0 HB3 LEU A 85 102.109 -18.690 1.427 1.00 0.00 H new ATOM 0 HG LEU A 85 103.499 -18.398 4.096 1.00 0.00 H new ATOM 0 HD11 LEU A 85 101.461 -17.323 5.013 1.00 0.00 H new ATOM 0 HD12 LEU A 85 102.232 -16.289 3.787 1.00 0.00 H new ATOM 0 HD13 LEU A 85 100.775 -17.225 3.374 1.00 0.00 H new ATOM 0 HD21 LEU A 85 101.587 -19.808 4.813 1.00 0.00 H new ATOM 0 HD22 LEU A 85 100.903 -19.712 3.173 1.00 0.00 H new ATOM 0 HD23 LEU A 85 102.450 -20.549 3.444 1.00 0.00 H new ATOM 1347 N ASN A 86 105.480 -19.434 -0.297 1.00 0.00 N ATOM 1348 CA ASN A 86 105.609 -19.776 -1.740 1.00 0.00 C ATOM 1349 C ASN A 86 105.368 -21.271 -1.920 1.00 0.00 C ATOM 1350 O ASN A 86 105.863 -21.890 -2.842 1.00 0.00 O ATOM 1351 CB ASN A 86 107.011 -19.417 -2.233 1.00 0.00 C ATOM 1352 CG ASN A 86 107.052 -19.494 -3.760 1.00 0.00 C ATOM 1353 OD1 ASN A 86 107.103 -18.391 -4.455 1.00 0.00 O flip ATOM 1354 ND2 ASN A 86 107.039 -20.569 -4.326 1.00 0.00 N flip ATOM 0 H ASN A 86 106.361 -19.296 0.198 1.00 0.00 H new ATOM 0 HA ASN A 86 104.875 -19.213 -2.317 1.00 0.00 H new ATOM 0 HB2 ASN A 86 107.278 -18.413 -1.902 1.00 0.00 H new ATOM 0 HB3 ASN A 86 107.744 -20.100 -1.804 1.00 0.00 H new ATOM 0 HD21 ASN A 86 106.999 -21.431 -3.782 1.00 0.00 H new ATOM 0 HD22 ASN A 86 107.068 -20.609 -5.345 1.00 0.00 H new ATOM 1361 N GLY A 87 104.609 -21.854 -1.039 1.00 0.00 N ATOM 1362 CA GLY A 87 104.323 -23.312 -1.144 1.00 0.00 C ATOM 1363 C GLY A 87 103.008 -23.523 -1.897 1.00 0.00 C ATOM 1364 O GLY A 87 102.926 -24.319 -2.812 1.00 0.00 O ATOM 0 H GLY A 87 104.172 -21.383 -0.247 1.00 0.00 H new ATOM 0 HA2 GLY A 87 105.137 -23.816 -1.665 1.00 0.00 H new ATOM 0 HA3 GLY A 87 104.259 -23.753 -0.149 1.00 0.00 H new ATOM 1368 N ARG A 88 101.977 -22.815 -1.523 1.00 0.00 N ATOM 1369 CA ARG A 88 100.671 -22.974 -2.217 1.00 0.00 C ATOM 1370 C ARG A 88 99.877 -21.668 -2.125 1.00 0.00 C ATOM 1371 O ARG A 88 98.699 -21.666 -1.830 1.00 0.00 O ATOM 1372 CB ARG A 88 99.875 -24.101 -1.556 1.00 0.00 C ATOM 1373 CG ARG A 88 100.376 -25.452 -2.071 1.00 0.00 C ATOM 1374 CD ARG A 88 99.470 -26.567 -1.546 1.00 0.00 C ATOM 1375 NE ARG A 88 98.281 -26.699 -2.434 1.00 0.00 N ATOM 1376 CZ ARG A 88 97.554 -27.781 -2.394 1.00 0.00 C ATOM 1377 NH1 ARG A 88 96.512 -27.896 -3.172 1.00 0.00 N ATOM 1378 NH2 ARG A 88 97.867 -28.748 -1.577 1.00 0.00 N ATOM 0 H ARG A 88 101.985 -22.132 -0.765 1.00 0.00 H new ATOM 0 HA ARG A 88 100.847 -23.218 -3.265 1.00 0.00 H new ATOM 0 HB2 ARG A 88 99.984 -24.050 -0.473 1.00 0.00 H new ATOM 0 HB3 ARG A 88 98.813 -23.988 -1.775 1.00 0.00 H new ATOM 0 HG2 ARG A 88 100.383 -25.458 -3.161 1.00 0.00 H new ATOM 0 HG3 ARG A 88 101.403 -25.619 -1.745 1.00 0.00 H new ATOM 0 HD2 ARG A 88 100.017 -27.509 -1.511 1.00 0.00 H new ATOM 0 HD3 ARG A 88 99.154 -26.344 -0.527 1.00 0.00 H new ATOM 0 HE ARG A 88 98.036 -25.943 -3.073 1.00 0.00 H new ATOM 0 HH11 ARG A 88 96.267 -27.140 -3.811 1.00 0.00 H new ATOM 0 HH12 ARG A 88 95.943 -28.742 -3.141 1.00 0.00 H new ATOM 0 HH21 ARG A 88 98.681 -28.658 -0.969 1.00 0.00 H new ATOM 0 HH22 ARG A 88 97.298 -29.594 -1.546 1.00 0.00 H new ATOM 1392 N ALA A 89 100.515 -20.557 -2.377 1.00 0.00 N ATOM 1393 CA ALA A 89 99.797 -19.253 -2.305 1.00 0.00 C ATOM 1394 C ALA A 89 100.201 -18.383 -3.497 1.00 0.00 C ATOM 1395 O ALA A 89 101.246 -18.569 -4.088 1.00 0.00 O ATOM 1396 CB ALA A 89 100.165 -18.536 -1.004 1.00 0.00 C ATOM 0 H ALA A 89 101.501 -20.496 -2.629 1.00 0.00 H new ATOM 0 HA ALA A 89 98.722 -19.430 -2.330 1.00 0.00 H new ATOM 0 HB1 ALA A 89 99.639 -17.583 -0.953 1.00 0.00 H new ATOM 0 HB2 ALA A 89 99.878 -19.155 -0.154 1.00 0.00 H new ATOM 0 HB3 ALA A 89 101.240 -18.359 -0.978 1.00 0.00 H new ATOM 1402 N VAL A 90 99.381 -17.434 -3.855 1.00 0.00 N ATOM 1403 CA VAL A 90 99.717 -16.552 -5.010 1.00 0.00 C ATOM 1404 C VAL A 90 99.406 -15.099 -4.649 1.00 0.00 C ATOM 1405 O VAL A 90 98.424 -14.807 -3.995 1.00 0.00 O ATOM 1406 CB VAL A 90 98.887 -16.964 -6.227 1.00 0.00 C ATOM 1407 CG1 VAL A 90 99.388 -16.217 -7.464 1.00 0.00 C ATOM 1408 CG2 VAL A 90 99.026 -18.471 -6.451 1.00 0.00 C ATOM 0 H VAL A 90 98.492 -17.230 -3.398 1.00 0.00 H new ATOM 0 HA VAL A 90 100.777 -16.650 -5.244 1.00 0.00 H new ATOM 0 HB VAL A 90 97.840 -16.716 -6.053 1.00 0.00 H new ATOM 0 HG11 VAL A 90 98.796 -16.511 -8.331 1.00 0.00 H new ATOM 0 HG12 VAL A 90 99.290 -15.143 -7.305 1.00 0.00 H new ATOM 0 HG13 VAL A 90 100.435 -16.464 -7.639 1.00 0.00 H new ATOM 0 HG21 VAL A 90 98.435 -18.766 -7.318 1.00 0.00 H new ATOM 0 HG22 VAL A 90 100.073 -18.718 -6.625 1.00 0.00 H new ATOM 0 HG23 VAL A 90 98.669 -19.004 -5.570 1.00 0.00 H new ATOM 1418 N GLN A 91 100.236 -14.183 -5.069 1.00 0.00 N ATOM 1419 CA GLN A 91 99.988 -12.750 -4.751 1.00 0.00 C ATOM 1420 C GLN A 91 99.115 -12.131 -5.845 1.00 0.00 C ATOM 1421 O GLN A 91 99.256 -12.438 -7.012 1.00 0.00 O ATOM 1422 CB GLN A 91 101.325 -12.004 -4.673 1.00 0.00 C ATOM 1423 CG GLN A 91 102.448 -13.000 -4.379 1.00 0.00 C ATOM 1424 CD GLN A 91 102.091 -13.823 -3.139 1.00 0.00 C ATOM 1425 OE1 GLN A 91 101.514 -13.310 -2.201 1.00 0.00 O ATOM 1426 NE2 GLN A 91 102.412 -15.087 -3.095 1.00 0.00 N ATOM 0 H GLN A 91 101.075 -14.366 -5.619 1.00 0.00 H new ATOM 0 HA GLN A 91 99.476 -12.672 -3.792 1.00 0.00 H new ATOM 0 HB2 GLN A 91 101.520 -11.486 -5.612 1.00 0.00 H new ATOM 0 HB3 GLN A 91 101.285 -11.244 -3.893 1.00 0.00 H new ATOM 0 HG2 GLN A 91 102.597 -13.659 -5.235 1.00 0.00 H new ATOM 0 HG3 GLN A 91 103.386 -12.469 -4.218 1.00 0.00 H new ATOM 0 HE21 GLN A 91 102.896 -15.518 -3.882 1.00 0.00 H new ATOM 0 HE22 GLN A 91 102.178 -15.644 -2.273 1.00 0.00 H new ATOM 1435 N HIS A 92 98.213 -11.260 -5.477 1.00 0.00 N ATOM 1436 CA HIS A 92 97.329 -10.620 -6.495 1.00 0.00 C ATOM 1437 C HIS A 92 97.562 -9.108 -6.494 1.00 0.00 C ATOM 1438 O HIS A 92 97.286 -8.429 -5.525 1.00 0.00 O ATOM 1439 CB HIS A 92 95.865 -10.907 -6.151 1.00 0.00 C ATOM 1440 CG HIS A 92 95.484 -12.271 -6.655 1.00 0.00 C ATOM 1441 ND1 HIS A 92 94.606 -12.448 -7.715 1.00 0.00 N ATOM 1442 CD2 HIS A 92 95.849 -13.533 -6.254 1.00 0.00 C ATOM 1443 CE1 HIS A 92 94.470 -13.772 -7.914 1.00 0.00 C ATOM 1444 NE2 HIS A 92 95.207 -14.475 -7.051 1.00 0.00 N ATOM 0 H HIS A 92 98.050 -10.964 -4.515 1.00 0.00 H new ATOM 0 HA HIS A 92 97.559 -11.024 -7.481 1.00 0.00 H new ATOM 0 HB2 HIS A 92 95.718 -10.853 -5.072 1.00 0.00 H new ATOM 0 HB3 HIS A 92 95.221 -10.150 -6.599 1.00 0.00 H new ATOM 0 HD2 HIS A 92 96.529 -13.759 -5.446 1.00 0.00 H new ATOM 0 HE1 HIS A 92 93.843 -14.211 -8.676 1.00 0.00 H new ATOM 0 HE2 HIS A 92 95.283 -15.490 -6.989 1.00 0.00 H new ATOM 1452 N ARG A 93 98.066 -8.574 -7.573 1.00 0.00 N ATOM 1453 CA ARG A 93 98.312 -7.105 -7.630 1.00 0.00 C ATOM 1454 C ARG A 93 97.030 -6.396 -8.072 1.00 0.00 C ATOM 1455 O ARG A 93 96.660 -6.426 -9.229 1.00 0.00 O ATOM 1456 CB ARG A 93 99.439 -6.808 -8.627 1.00 0.00 C ATOM 1457 CG ARG A 93 99.788 -8.080 -9.405 1.00 0.00 C ATOM 1458 CD ARG A 93 100.885 -7.775 -10.428 1.00 0.00 C ATOM 1459 NE ARG A 93 101.867 -8.893 -10.450 1.00 0.00 N ATOM 1460 CZ ARG A 93 103.098 -8.674 -10.824 1.00 0.00 C ATOM 1461 NH1 ARG A 93 103.961 -9.653 -10.837 1.00 0.00 N ATOM 1462 NH2 ARG A 93 103.467 -7.476 -11.186 1.00 0.00 N ATOM 0 H ARG A 93 98.318 -9.090 -8.416 1.00 0.00 H new ATOM 0 HA ARG A 93 98.605 -6.745 -6.644 1.00 0.00 H new ATOM 0 HB2 ARG A 93 99.130 -6.022 -9.316 1.00 0.00 H new ATOM 0 HB3 ARG A 93 100.318 -6.441 -8.098 1.00 0.00 H new ATOM 0 HG2 ARG A 93 100.124 -8.857 -8.718 1.00 0.00 H new ATOM 0 HG3 ARG A 93 98.902 -8.463 -9.911 1.00 0.00 H new ATOM 0 HD2 ARG A 93 100.448 -7.641 -11.417 1.00 0.00 H new ATOM 0 HD3 ARG A 93 101.386 -6.841 -10.172 1.00 0.00 H new ATOM 0 HE ARG A 93 101.578 -9.831 -10.173 1.00 0.00 H new ATOM 0 HH11 ARG A 93 103.674 -10.590 -10.555 1.00 0.00 H new ATOM 0 HH12 ARG A 93 104.923 -9.481 -11.129 1.00 0.00 H new ATOM 0 HH21 ARG A 93 102.793 -6.710 -11.177 1.00 0.00 H new ATOM 0 HH22 ARG A 93 104.429 -7.305 -11.478 1.00 0.00 H new ATOM 1476 N GLU A 94 96.349 -5.760 -7.159 1.00 0.00 N ATOM 1477 CA GLU A 94 95.090 -5.051 -7.525 1.00 0.00 C ATOM 1478 C GLU A 94 95.343 -3.543 -7.569 1.00 0.00 C ATOM 1479 O GLU A 94 95.790 -2.949 -6.607 1.00 0.00 O ATOM 1480 CB GLU A 94 94.013 -5.353 -6.481 1.00 0.00 C ATOM 1481 CG GLU A 94 94.029 -6.848 -6.135 1.00 0.00 C ATOM 1482 CD GLU A 94 94.574 -7.044 -4.718 1.00 0.00 C ATOM 1483 OE1 GLU A 94 95.781 -6.984 -4.556 1.00 0.00 O ATOM 1484 OE2 GLU A 94 93.774 -7.254 -3.822 1.00 0.00 O ATOM 0 H GLU A 94 96.610 -5.700 -6.175 1.00 0.00 H new ATOM 0 HA GLU A 94 94.756 -5.392 -8.505 1.00 0.00 H new ATOM 0 HB2 GLU A 94 94.188 -4.761 -5.583 1.00 0.00 H new ATOM 0 HB3 GLU A 94 93.033 -5.069 -6.864 1.00 0.00 H new ATOM 0 HG2 GLU A 94 93.022 -7.259 -6.208 1.00 0.00 H new ATOM 0 HG3 GLU A 94 94.647 -7.390 -6.851 1.00 0.00 H new ATOM 1491 N VAL A 95 95.054 -2.918 -8.678 1.00 0.00 N ATOM 1492 CA VAL A 95 95.269 -1.450 -8.791 1.00 0.00 C ATOM 1493 C VAL A 95 93.965 -0.784 -9.232 1.00 0.00 C ATOM 1494 O VAL A 95 93.117 -1.404 -9.843 1.00 0.00 O ATOM 1495 CB VAL A 95 96.362 -1.169 -9.821 1.00 0.00 C ATOM 1496 CG1 VAL A 95 96.986 0.200 -9.546 1.00 0.00 C ATOM 1497 CG2 VAL A 95 97.443 -2.250 -9.726 1.00 0.00 C ATOM 0 H VAL A 95 94.676 -3.365 -9.514 1.00 0.00 H new ATOM 0 HA VAL A 95 95.576 -1.050 -7.825 1.00 0.00 H new ATOM 0 HB VAL A 95 95.927 -1.175 -10.821 1.00 0.00 H new ATOM 0 HG11 VAL A 95 97.765 0.399 -10.282 1.00 0.00 H new ATOM 0 HG12 VAL A 95 96.218 0.970 -9.614 1.00 0.00 H new ATOM 0 HG13 VAL A 95 97.420 0.208 -8.546 1.00 0.00 H new ATOM 0 HG21 VAL A 95 98.223 -2.050 -10.461 1.00 0.00 H new ATOM 0 HG22 VAL A 95 97.876 -2.244 -8.726 1.00 0.00 H new ATOM 0 HG23 VAL A 95 97.000 -3.226 -9.924 1.00 0.00 H new ATOM 1507 N GLN A 96 93.795 0.472 -8.928 1.00 0.00 N ATOM 1508 CA GLN A 96 92.543 1.171 -9.331 1.00 0.00 C ATOM 1509 C GLN A 96 92.347 1.043 -10.842 1.00 0.00 C ATOM 1510 O GLN A 96 93.131 1.542 -11.624 1.00 0.00 O ATOM 1511 CB GLN A 96 92.639 2.650 -8.952 1.00 0.00 C ATOM 1512 CG GLN A 96 91.233 3.242 -8.841 1.00 0.00 C ATOM 1513 CD GLN A 96 91.292 4.751 -9.082 1.00 0.00 C ATOM 1514 OE1 GLN A 96 92.452 5.347 -9.127 1.00 0.00 O flip ATOM 1515 NE2 GLN A 96 90.272 5.396 -9.230 1.00 0.00 N flip ATOM 0 H GLN A 96 94.468 1.045 -8.418 1.00 0.00 H new ATOM 0 HA GLN A 96 91.695 0.718 -8.817 1.00 0.00 H new ATOM 0 HB2 GLN A 96 93.167 2.760 -8.005 1.00 0.00 H new ATOM 0 HB3 GLN A 96 93.215 3.192 -9.702 1.00 0.00 H new ATOM 0 HG2 GLN A 96 90.571 2.773 -9.569 1.00 0.00 H new ATOM 0 HG3 GLN A 96 90.818 3.037 -7.854 1.00 0.00 H new ATOM 0 HE21 GLN A 96 89.365 4.931 -9.195 1.00 0.00 H new ATOM 0 HE22 GLN A 96 90.323 6.402 -9.389 1.00 0.00 H new ATOM 1524 N GLY A 97 91.303 0.381 -11.258 1.00 0.00 N ATOM 1525 CA GLY A 97 91.055 0.223 -12.719 1.00 0.00 C ATOM 1526 C GLY A 97 91.670 -1.090 -13.205 1.00 0.00 C ATOM 1527 O GLY A 97 91.755 -1.346 -14.389 1.00 0.00 O ATOM 0 H GLY A 97 90.611 -0.057 -10.650 1.00 0.00 H new ATOM 0 HA2 GLY A 97 89.984 0.230 -12.919 1.00 0.00 H new ATOM 0 HA3 GLY A 97 91.487 1.062 -13.264 1.00 0.00 H new ATOM 1531 N PHE A 98 92.102 -1.926 -12.300 1.00 0.00 N ATOM 1532 CA PHE A 98 92.711 -3.222 -12.718 1.00 0.00 C ATOM 1533 C PHE A 98 92.520 -4.261 -11.612 1.00 0.00 C ATOM 1534 O PHE A 98 93.276 -5.205 -11.497 1.00 0.00 O ATOM 1535 CB PHE A 98 94.206 -3.021 -12.975 1.00 0.00 C ATOM 1536 CG PHE A 98 94.396 -2.198 -14.227 1.00 0.00 C ATOM 1537 CD1 PHE A 98 94.318 -0.801 -14.165 1.00 0.00 C ATOM 1538 CD2 PHE A 98 94.649 -2.831 -15.449 1.00 0.00 C ATOM 1539 CE1 PHE A 98 94.495 -0.038 -15.326 1.00 0.00 C ATOM 1540 CE2 PHE A 98 94.826 -2.068 -16.611 1.00 0.00 C ATOM 1541 CZ PHE A 98 94.749 -0.672 -16.548 1.00 0.00 C ATOM 0 H PHE A 98 92.060 -1.769 -11.293 1.00 0.00 H new ATOM 0 HA PHE A 98 92.227 -3.572 -13.630 1.00 0.00 H new ATOM 0 HB2 PHE A 98 94.668 -2.520 -12.124 1.00 0.00 H new ATOM 0 HB3 PHE A 98 94.700 -3.986 -13.083 1.00 0.00 H new ATOM 0 HD1 PHE A 98 94.121 -0.312 -13.222 1.00 0.00 H new ATOM 0 HD2 PHE A 98 94.708 -3.908 -15.497 1.00 0.00 H new ATOM 0 HE1 PHE A 98 94.436 1.039 -15.279 1.00 0.00 H new ATOM 0 HE2 PHE A 98 95.022 -2.557 -17.554 1.00 0.00 H new ATOM 0 HZ PHE A 98 94.886 -0.083 -17.443 1.00 0.00 H new ATOM 1551 N GLU A 99 91.514 -4.099 -10.796 1.00 0.00 N ATOM 1552 CA GLU A 99 91.277 -5.080 -9.701 1.00 0.00 C ATOM 1553 C GLU A 99 91.339 -6.501 -10.268 1.00 0.00 C ATOM 1554 O GLU A 99 90.785 -6.790 -11.310 1.00 0.00 O ATOM 1555 CB GLU A 99 89.898 -4.836 -9.086 1.00 0.00 C ATOM 1556 CG GLU A 99 89.881 -3.472 -8.395 1.00 0.00 C ATOM 1557 CD GLU A 99 89.583 -2.381 -9.423 1.00 0.00 C ATOM 1558 OE1 GLU A 99 88.415 -2.137 -9.680 1.00 0.00 O ATOM 1559 OE2 GLU A 99 90.529 -1.806 -9.937 1.00 0.00 O ATOM 0 H GLU A 99 90.846 -3.329 -10.841 1.00 0.00 H new ATOM 0 HA GLU A 99 92.042 -4.960 -8.934 1.00 0.00 H new ATOM 0 HB2 GLU A 99 89.131 -4.873 -9.860 1.00 0.00 H new ATOM 0 HB3 GLU A 99 89.664 -5.622 -8.368 1.00 0.00 H new ATOM 0 HG2 GLU A 99 89.126 -3.461 -7.609 1.00 0.00 H new ATOM 0 HG3 GLU A 99 90.842 -3.283 -7.917 1.00 0.00 H new ATOM 1566 N SER A 100 92.010 -7.395 -9.589 1.00 0.00 N ATOM 1567 CA SER A 100 92.106 -8.793 -10.090 1.00 0.00 C ATOM 1568 C SER A 100 90.706 -9.406 -10.169 1.00 0.00 C ATOM 1569 O SER A 100 89.740 -8.829 -9.709 1.00 0.00 O ATOM 1570 CB SER A 100 92.971 -9.619 -9.136 1.00 0.00 C ATOM 1571 OG SER A 100 93.586 -10.679 -9.857 1.00 0.00 O ATOM 0 H SER A 100 92.495 -7.215 -8.710 1.00 0.00 H new ATOM 0 HA SER A 100 92.558 -8.792 -11.082 1.00 0.00 H new ATOM 0 HB2 SER A 100 93.731 -8.987 -8.677 1.00 0.00 H new ATOM 0 HB3 SER A 100 92.360 -10.020 -8.328 1.00 0.00 H new ATOM 0 HG SER A 100 93.962 -11.328 -9.227 1.00 0.00 H new ATOM 1577 N ALA A 101 90.586 -10.569 -10.750 1.00 0.00 N ATOM 1578 CA ALA A 101 89.246 -11.213 -10.856 1.00 0.00 C ATOM 1579 C ALA A 101 88.807 -11.712 -9.480 1.00 0.00 C ATOM 1580 O ALA A 101 87.841 -11.236 -8.918 1.00 0.00 O ATOM 1581 CB ALA A 101 89.326 -12.395 -11.825 1.00 0.00 C ATOM 0 H ALA A 101 91.357 -11.100 -11.155 1.00 0.00 H new ATOM 0 HA ALA A 101 88.522 -10.486 -11.225 1.00 0.00 H new ATOM 0 HB1 ALA A 101 88.347 -12.868 -11.904 1.00 0.00 H new ATOM 0 HB2 ALA A 101 89.638 -12.040 -12.807 1.00 0.00 H new ATOM 0 HB3 ALA A 101 90.050 -13.121 -11.455 1.00 0.00 H new ATOM 1587 N THR A 102 89.506 -12.666 -8.929 1.00 0.00 N ATOM 1588 CA THR A 102 89.121 -13.187 -7.588 1.00 0.00 C ATOM 1589 C THR A 102 88.944 -12.015 -6.622 1.00 0.00 C ATOM 1590 O THR A 102 88.196 -12.092 -5.669 1.00 0.00 O ATOM 1591 CB THR A 102 90.218 -14.118 -7.067 1.00 0.00 C ATOM 1592 OG1 THR A 102 90.497 -15.113 -8.043 1.00 0.00 O ATOM 1593 CG2 THR A 102 89.751 -14.785 -5.773 1.00 0.00 C ATOM 0 H THR A 102 90.325 -13.106 -9.348 1.00 0.00 H new ATOM 0 HA THR A 102 88.185 -13.740 -7.666 1.00 0.00 H new ATOM 0 HB THR A 102 91.121 -13.541 -6.869 1.00 0.00 H new ATOM 0 HG1 THR A 102 91.201 -15.709 -7.711 1.00 0.00 H new ATOM 0 HG21 THR A 102 90.533 -15.448 -5.403 1.00 0.00 H new ATOM 0 HG22 THR A 102 89.539 -14.020 -5.025 1.00 0.00 H new ATOM 0 HG23 THR A 102 88.847 -15.363 -5.967 1.00 0.00 H new ATOM 1601 N PHE A 103 89.629 -10.930 -6.861 1.00 0.00 N ATOM 1602 CA PHE A 103 89.501 -9.755 -5.953 1.00 0.00 C ATOM 1603 C PHE A 103 88.167 -9.050 -6.203 1.00 0.00 C ATOM 1604 O PHE A 103 87.377 -8.861 -5.299 1.00 0.00 O ATOM 1605 CB PHE A 103 90.650 -8.779 -6.215 1.00 0.00 C ATOM 1606 CG PHE A 103 90.760 -7.811 -5.061 1.00 0.00 C ATOM 1607 CD1 PHE A 103 90.285 -6.501 -5.196 1.00 0.00 C ATOM 1608 CD2 PHE A 103 91.338 -8.224 -3.855 1.00 0.00 C ATOM 1609 CE1 PHE A 103 90.386 -5.605 -4.126 1.00 0.00 C ATOM 1610 CE2 PHE A 103 91.441 -7.328 -2.784 1.00 0.00 C ATOM 1611 CZ PHE A 103 90.964 -6.019 -2.920 1.00 0.00 C ATOM 0 H PHE A 103 90.271 -10.807 -7.644 1.00 0.00 H new ATOM 0 HA PHE A 103 89.540 -10.095 -4.918 1.00 0.00 H new ATOM 0 HB2 PHE A 103 91.585 -9.325 -6.336 1.00 0.00 H new ATOM 0 HB3 PHE A 103 90.476 -8.236 -7.144 1.00 0.00 H new ATOM 0 HD1 PHE A 103 89.840 -6.182 -6.127 1.00 0.00 H new ATOM 0 HD2 PHE A 103 91.705 -9.234 -3.750 1.00 0.00 H new ATOM 0 HE1 PHE A 103 90.018 -4.595 -4.230 1.00 0.00 H new ATOM 0 HE2 PHE A 103 91.888 -7.646 -1.854 1.00 0.00 H new ATOM 0 HZ PHE A 103 91.042 -5.328 -2.094 1.00 0.00 H new ATOM 1621 N LEU A 104 87.905 -8.655 -7.421 1.00 0.00 N ATOM 1622 CA LEU A 104 86.619 -7.960 -7.714 1.00 0.00 C ATOM 1623 C LEU A 104 85.459 -8.941 -7.532 1.00 0.00 C ATOM 1624 O LEU A 104 84.329 -8.548 -7.319 1.00 0.00 O ATOM 1625 CB LEU A 104 86.635 -7.428 -9.152 1.00 0.00 C ATOM 1626 CG LEU A 104 86.306 -8.558 -10.136 1.00 0.00 C ATOM 1627 CD1 LEU A 104 84.799 -8.573 -10.427 1.00 0.00 C ATOM 1628 CD2 LEU A 104 87.071 -8.334 -11.444 1.00 0.00 C ATOM 0 H LEU A 104 88.523 -8.783 -8.222 1.00 0.00 H new ATOM 0 HA LEU A 104 86.492 -7.122 -7.028 1.00 0.00 H new ATOM 0 HB2 LEU A 104 85.910 -6.621 -9.257 1.00 0.00 H new ATOM 0 HB3 LEU A 104 87.614 -7.009 -9.382 1.00 0.00 H new ATOM 0 HG LEU A 104 86.599 -9.512 -9.697 1.00 0.00 H new ATOM 0 HD11 LEU A 104 84.571 -9.378 -11.126 1.00 0.00 H new ATOM 0 HD12 LEU A 104 84.251 -8.733 -9.499 1.00 0.00 H new ATOM 0 HD13 LEU A 104 84.503 -7.619 -10.863 1.00 0.00 H new ATOM 0 HD21 LEU A 104 86.838 -9.136 -12.144 1.00 0.00 H new ATOM 0 HD22 LEU A 104 86.778 -7.378 -11.878 1.00 0.00 H new ATOM 0 HD23 LEU A 104 88.142 -8.328 -11.243 1.00 0.00 H new ATOM 1640 N GLY A 105 85.729 -10.216 -7.610 1.00 0.00 N ATOM 1641 CA GLY A 105 84.641 -11.218 -7.440 1.00 0.00 C ATOM 1642 C GLY A 105 84.347 -11.405 -5.950 1.00 0.00 C ATOM 1643 O GLY A 105 83.225 -11.649 -5.555 1.00 0.00 O ATOM 0 H GLY A 105 86.655 -10.606 -7.784 1.00 0.00 H new ATOM 0 HA2 GLY A 105 83.742 -10.886 -7.960 1.00 0.00 H new ATOM 0 HA3 GLY A 105 84.935 -12.168 -7.886 1.00 0.00 H new ATOM 1647 N TYR A 106 85.348 -11.291 -5.120 1.00 0.00 N ATOM 1648 CA TYR A 106 85.125 -11.460 -3.657 1.00 0.00 C ATOM 1649 C TYR A 106 84.509 -10.181 -3.085 1.00 0.00 C ATOM 1650 O TYR A 106 83.586 -10.222 -2.297 1.00 0.00 O ATOM 1651 CB TYR A 106 86.463 -11.739 -2.967 1.00 0.00 C ATOM 1652 CG TYR A 106 86.237 -12.609 -1.753 1.00 0.00 C ATOM 1653 CD1 TYR A 106 85.858 -13.946 -1.912 1.00 0.00 C ATOM 1654 CD2 TYR A 106 86.408 -12.078 -0.468 1.00 0.00 C ATOM 1655 CE1 TYR A 106 85.649 -14.754 -0.787 1.00 0.00 C ATOM 1656 CE2 TYR A 106 86.199 -12.884 0.655 1.00 0.00 C ATOM 1657 CZ TYR A 106 85.821 -14.223 0.497 1.00 0.00 C ATOM 1658 OH TYR A 106 85.616 -15.018 1.606 1.00 0.00 O ATOM 0 H TYR A 106 86.310 -11.088 -5.392 1.00 0.00 H new ATOM 0 HA TYR A 106 84.448 -12.296 -3.485 1.00 0.00 H new ATOM 0 HB2 TYR A 106 87.144 -12.234 -3.659 1.00 0.00 H new ATOM 0 HB3 TYR A 106 86.934 -10.801 -2.672 1.00 0.00 H new ATOM 0 HD1 TYR A 106 85.726 -14.356 -2.903 1.00 0.00 H new ATOM 0 HD2 TYR A 106 86.701 -11.046 -0.345 1.00 0.00 H new ATOM 0 HE1 TYR A 106 85.355 -15.786 -0.910 1.00 0.00 H new ATOM 0 HE2 TYR A 106 86.329 -12.473 1.645 1.00 0.00 H new ATOM 0 HH TYR A 106 85.779 -14.495 2.418 1.00 0.00 H new ATOM 1668 N PHE A 107 85.017 -9.047 -3.477 1.00 0.00 N ATOM 1669 CA PHE A 107 84.469 -7.763 -2.962 1.00 0.00 C ATOM 1670 C PHE A 107 83.568 -7.127 -4.024 1.00 0.00 C ATOM 1671 O PHE A 107 84.039 -6.600 -5.012 1.00 0.00 O ATOM 1672 CB PHE A 107 85.621 -6.811 -2.635 1.00 0.00 C ATOM 1673 CG PHE A 107 86.622 -7.515 -1.751 1.00 0.00 C ATOM 1674 CD1 PHE A 107 86.348 -7.693 -0.389 1.00 0.00 C ATOM 1675 CD2 PHE A 107 87.822 -7.990 -2.292 1.00 0.00 C ATOM 1676 CE1 PHE A 107 87.276 -8.345 0.431 1.00 0.00 C ATOM 1677 CE2 PHE A 107 88.749 -8.641 -1.471 1.00 0.00 C ATOM 1678 CZ PHE A 107 88.477 -8.821 -0.110 1.00 0.00 C ATOM 0 H PHE A 107 85.791 -8.954 -4.135 1.00 0.00 H new ATOM 0 HA PHE A 107 83.887 -7.954 -2.060 1.00 0.00 H new ATOM 0 HB2 PHE A 107 86.103 -6.478 -3.554 1.00 0.00 H new ATOM 0 HB3 PHE A 107 85.240 -5.921 -2.134 1.00 0.00 H new ATOM 0 HD1 PHE A 107 85.421 -7.327 0.028 1.00 0.00 H new ATOM 0 HD2 PHE A 107 88.032 -7.854 -3.343 1.00 0.00 H new ATOM 0 HE1 PHE A 107 87.066 -8.481 1.482 1.00 0.00 H new ATOM 0 HE2 PHE A 107 89.676 -9.005 -1.888 1.00 0.00 H new ATOM 0 HZ PHE A 107 89.192 -9.326 0.522 1.00 0.00 H new ATOM 1688 N LYS A 108 82.279 -7.176 -3.830 1.00 0.00 N ATOM 1689 CA LYS A 108 81.348 -6.575 -4.829 1.00 0.00 C ATOM 1690 C LYS A 108 80.668 -5.348 -4.220 1.00 0.00 C ATOM 1691 O LYS A 108 80.636 -4.285 -4.809 1.00 0.00 O ATOM 1692 CB LYS A 108 80.286 -7.605 -5.221 1.00 0.00 C ATOM 1693 CG LYS A 108 79.435 -7.056 -6.374 1.00 0.00 C ATOM 1694 CD LYS A 108 79.862 -7.712 -7.692 1.00 0.00 C ATOM 1695 CE LYS A 108 81.283 -7.271 -8.047 1.00 0.00 C ATOM 1696 NZ LYS A 108 81.574 -7.626 -9.465 1.00 0.00 N ATOM 0 H LYS A 108 81.829 -7.606 -3.022 1.00 0.00 H new ATOM 0 HA LYS A 108 81.909 -6.277 -5.714 1.00 0.00 H new ATOM 0 HB2 LYS A 108 80.763 -8.538 -5.521 1.00 0.00 H new ATOM 0 HB3 LYS A 108 79.652 -7.832 -4.364 1.00 0.00 H new ATOM 0 HG2 LYS A 108 78.380 -7.252 -6.185 1.00 0.00 H new ATOM 0 HG3 LYS A 108 79.551 -5.974 -6.441 1.00 0.00 H new ATOM 0 HD2 LYS A 108 79.819 -8.797 -7.600 1.00 0.00 H new ATOM 0 HD3 LYS A 108 79.173 -7.432 -8.489 1.00 0.00 H new ATOM 0 HE2 LYS A 108 81.389 -6.196 -7.901 1.00 0.00 H new ATOM 0 HE3 LYS A 108 82.001 -7.755 -7.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 82.528 -7.296 -9.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 81.523 -8.658 -9.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 80.875 -7.172 -10.087 1.00 0.00 H new ATOM 1710 N SER A 109 80.121 -5.483 -3.042 1.00 0.00 N ATOM 1711 CA SER A 109 79.441 -4.326 -2.395 1.00 0.00 C ATOM 1712 C SER A 109 80.316 -3.788 -1.260 1.00 0.00 C ATOM 1713 O SER A 109 79.836 -3.154 -0.340 1.00 0.00 O ATOM 1714 CB SER A 109 78.094 -4.776 -1.828 1.00 0.00 C ATOM 1715 OG SER A 109 77.319 -3.634 -1.489 1.00 0.00 O ATOM 0 H SER A 109 80.116 -6.347 -2.499 1.00 0.00 H new ATOM 0 HA SER A 109 79.281 -3.541 -3.134 1.00 0.00 H new ATOM 0 HB2 SER A 109 77.564 -5.385 -2.561 1.00 0.00 H new ATOM 0 HB3 SER A 109 78.248 -5.399 -0.947 1.00 0.00 H new ATOM 0 HG SER A 109 77.873 -2.999 -0.988 1.00 0.00 H new ATOM 1721 N GLY A 110 81.597 -4.037 -1.315 1.00 0.00 N ATOM 1722 CA GLY A 110 82.505 -3.543 -0.241 1.00 0.00 C ATOM 1723 C GLY A 110 83.634 -2.718 -0.862 1.00 0.00 C ATOM 1724 O GLY A 110 84.330 -1.990 -0.181 1.00 0.00 O ATOM 0 H GLY A 110 82.054 -4.563 -2.060 1.00 0.00 H new ATOM 0 HA2 GLY A 110 81.946 -2.935 0.471 1.00 0.00 H new ATOM 0 HA3 GLY A 110 82.919 -4.384 0.315 1.00 0.00 H new ATOM 1728 N LEU A 111 83.823 -2.824 -2.148 1.00 0.00 N ATOM 1729 CA LEU A 111 84.908 -2.045 -2.810 1.00 0.00 C ATOM 1730 C LEU A 111 84.639 -0.550 -2.641 1.00 0.00 C ATOM 1731 O LEU A 111 84.305 0.141 -3.583 1.00 0.00 O ATOM 1732 CB LEU A 111 84.947 -2.392 -4.300 1.00 0.00 C ATOM 1733 CG LEU A 111 85.369 -3.851 -4.476 1.00 0.00 C ATOM 1734 CD1 LEU A 111 85.207 -4.257 -5.942 1.00 0.00 C ATOM 1735 CD2 LEU A 111 86.836 -4.016 -4.061 1.00 0.00 C ATOM 0 H LEU A 111 83.273 -3.417 -2.770 1.00 0.00 H new ATOM 0 HA LEU A 111 85.866 -2.295 -2.353 1.00 0.00 H new ATOM 0 HB2 LEU A 111 83.966 -2.230 -4.747 1.00 0.00 H new ATOM 0 HB3 LEU A 111 85.646 -1.736 -4.818 1.00 0.00 H new ATOM 0 HG LEU A 111 84.741 -4.486 -3.851 1.00 0.00 H new ATOM 0 HD11 LEU A 111 85.508 -5.297 -6.067 1.00 0.00 H new ATOM 0 HD12 LEU A 111 84.164 -4.143 -6.238 1.00 0.00 H new ATOM 0 HD13 LEU A 111 85.833 -3.621 -6.567 1.00 0.00 H new ATOM 0 HD21 LEU A 111 87.135 -5.057 -4.187 1.00 0.00 H new ATOM 0 HD22 LEU A 111 87.464 -3.380 -4.684 1.00 0.00 H new ATOM 0 HD23 LEU A 111 86.953 -3.729 -3.016 1.00 0.00 H new ATOM 1747 N LYS A 112 84.783 -0.042 -1.447 1.00 0.00 N ATOM 1748 CA LYS A 112 84.535 1.408 -1.220 1.00 0.00 C ATOM 1749 C LYS A 112 85.850 2.179 -1.349 1.00 0.00 C ATOM 1750 O LYS A 112 86.718 2.090 -0.501 1.00 0.00 O ATOM 1751 CB LYS A 112 83.958 1.616 0.182 1.00 0.00 C ATOM 1752 CG LYS A 112 83.990 3.106 0.532 1.00 0.00 C ATOM 1753 CD LYS A 112 82.897 3.415 1.557 1.00 0.00 C ATOM 1754 CE LYS A 112 83.092 4.833 2.099 1.00 0.00 C ATOM 1755 NZ LYS A 112 81.779 5.379 2.545 1.00 0.00 N ATOM 0 H LYS A 112 85.062 -0.570 -0.620 1.00 0.00 H new ATOM 0 HA LYS A 112 83.826 1.773 -1.962 1.00 0.00 H new ATOM 0 HB2 LYS A 112 82.934 1.244 0.224 1.00 0.00 H new ATOM 0 HB3 LYS A 112 84.534 1.048 0.912 1.00 0.00 H new ATOM 0 HG2 LYS A 112 84.967 3.375 0.934 1.00 0.00 H new ATOM 0 HG3 LYS A 112 83.840 3.704 -0.367 1.00 0.00 H new ATOM 0 HD2 LYS A 112 81.914 3.323 1.095 1.00 0.00 H new ATOM 0 HD3 LYS A 112 82.935 2.694 2.373 1.00 0.00 H new ATOM 0 HE2 LYS A 112 83.795 4.822 2.932 1.00 0.00 H new ATOM 0 HE3 LYS A 112 83.521 5.473 1.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 81.911 6.343 2.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 81.121 5.403 1.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 81.387 4.773 3.294 1.00 0.00 H new ATOM 1769 N TYR A 113 86.007 2.933 -2.402 1.00 0.00 N ATOM 1770 CA TYR A 113 87.268 3.708 -2.581 1.00 0.00 C ATOM 1771 C TYR A 113 87.052 5.146 -2.104 1.00 0.00 C ATOM 1772 O TYR A 113 85.992 5.714 -2.273 1.00 0.00 O ATOM 1773 CB TYR A 113 87.659 3.712 -4.064 1.00 0.00 C ATOM 1774 CG TYR A 113 86.973 2.569 -4.771 1.00 0.00 C ATOM 1775 CD1 TYR A 113 85.680 2.735 -5.278 1.00 0.00 C ATOM 1776 CD2 TYR A 113 87.632 1.342 -4.922 1.00 0.00 C ATOM 1777 CE1 TYR A 113 85.043 1.675 -5.936 1.00 0.00 C ATOM 1778 CE2 TYR A 113 86.995 0.282 -5.578 1.00 0.00 C ATOM 1779 CZ TYR A 113 85.701 0.449 -6.085 1.00 0.00 C ATOM 1780 OH TYR A 113 85.073 -0.596 -6.734 1.00 0.00 O ATOM 0 H TYR A 113 85.318 3.046 -3.145 1.00 0.00 H new ATOM 0 HA TYR A 113 88.066 3.248 -1.998 1.00 0.00 H new ATOM 0 HB2 TYR A 113 87.376 4.659 -4.523 1.00 0.00 H new ATOM 0 HB3 TYR A 113 88.740 3.619 -4.166 1.00 0.00 H new ATOM 0 HD1 TYR A 113 85.172 3.681 -5.162 1.00 0.00 H new ATOM 0 HD2 TYR A 113 88.631 1.214 -4.532 1.00 0.00 H new ATOM 0 HE1 TYR A 113 84.045 1.804 -6.328 1.00 0.00 H new ATOM 0 HE2 TYR A 113 87.502 -0.665 -5.693 1.00 0.00 H new ATOM 0 HH TYR A 113 85.718 -1.317 -6.894 1.00 0.00 H new ATOM 1790 N LYS A 114 88.051 5.739 -1.508 1.00 0.00 N ATOM 1791 CA LYS A 114 87.902 7.140 -1.019 1.00 0.00 C ATOM 1792 C LYS A 114 89.124 7.958 -1.439 1.00 0.00 C ATOM 1793 O LYS A 114 90.233 7.697 -1.017 1.00 0.00 O ATOM 1794 CB LYS A 114 87.788 7.140 0.507 1.00 0.00 C ATOM 1795 CG LYS A 114 87.671 8.580 1.009 1.00 0.00 C ATOM 1796 CD LYS A 114 87.140 8.582 2.445 1.00 0.00 C ATOM 1797 CE LYS A 114 87.042 10.022 2.950 1.00 0.00 C ATOM 1798 NZ LYS A 114 85.747 10.615 2.511 1.00 0.00 N ATOM 0 H LYS A 114 88.963 5.315 -1.339 1.00 0.00 H new ATOM 0 HA LYS A 114 87.003 7.581 -1.449 1.00 0.00 H new ATOM 0 HB2 LYS A 114 86.917 6.563 0.817 1.00 0.00 H new ATOM 0 HB3 LYS A 114 88.662 6.660 0.948 1.00 0.00 H new ATOM 0 HG2 LYS A 114 88.644 9.070 0.970 1.00 0.00 H new ATOM 0 HG3 LYS A 114 87.002 9.148 0.362 1.00 0.00 H new ATOM 0 HD2 LYS A 114 86.161 8.105 2.483 1.00 0.00 H new ATOM 0 HD3 LYS A 114 87.802 8.003 3.090 1.00 0.00 H new ATOM 0 HE2 LYS A 114 87.114 10.043 4.037 1.00 0.00 H new ATOM 0 HE3 LYS A 114 87.874 10.612 2.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 85.680 11.594 2.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 85.696 10.608 1.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 84.960 10.057 2.900 1.00 0.00 H new ATOM 1812 N LYS A 115 88.929 8.948 -2.266 1.00 0.00 N ATOM 1813 CA LYS A 115 90.081 9.783 -2.712 1.00 0.00 C ATOM 1814 C LYS A 115 90.499 10.722 -1.579 1.00 0.00 C ATOM 1815 O LYS A 115 89.760 10.945 -0.640 1.00 0.00 O ATOM 1816 CB LYS A 115 89.667 10.611 -3.932 1.00 0.00 C ATOM 1817 CG LYS A 115 89.437 9.683 -5.126 1.00 0.00 C ATOM 1818 CD LYS A 115 89.213 10.518 -6.389 1.00 0.00 C ATOM 1819 CE LYS A 115 87.740 10.925 -6.480 1.00 0.00 C ATOM 1820 NZ LYS A 115 87.629 12.224 -7.203 1.00 0.00 N ATOM 0 H LYS A 115 88.023 9.215 -2.652 1.00 0.00 H new ATOM 0 HA LYS A 115 90.918 9.137 -2.976 1.00 0.00 H new ATOM 0 HB2 LYS A 115 88.758 11.171 -3.713 1.00 0.00 H new ATOM 0 HB3 LYS A 115 90.441 11.341 -4.169 1.00 0.00 H new ATOM 0 HG2 LYS A 115 90.296 9.026 -5.260 1.00 0.00 H new ATOM 0 HG3 LYS A 115 88.573 9.044 -4.942 1.00 0.00 H new ATOM 0 HD2 LYS A 115 89.845 11.405 -6.367 1.00 0.00 H new ATOM 0 HD3 LYS A 115 89.498 9.945 -7.271 1.00 0.00 H new ATOM 0 HE2 LYS A 115 87.170 10.156 -7.002 1.00 0.00 H new ATOM 0 HE3 LYS A 115 87.314 11.015 -5.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 86.629 12.502 -7.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 88.160 12.955 -6.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 88.021 12.123 -8.161 1.00 0.00 H new ATOM 1834 N GLY A 116 91.676 11.276 -1.659 1.00 0.00 N ATOM 1835 CA GLY A 116 92.140 12.201 -0.586 1.00 0.00 C ATOM 1836 C GLY A 116 91.622 13.613 -0.867 1.00 0.00 C ATOM 1837 O GLY A 116 90.700 13.803 -1.635 1.00 0.00 O ATOM 0 H GLY A 116 92.338 11.129 -2.421 1.00 0.00 H new ATOM 0 HA2 GLY A 116 91.782 11.858 0.384 1.00 0.00 H new ATOM 0 HA3 GLY A 116 93.229 12.204 -0.541 1.00 0.00 H new ATOM 1841 N GLY A 117 92.209 14.603 -0.253 1.00 0.00 N ATOM 1842 CA GLY A 117 91.749 16.001 -0.487 1.00 0.00 C ATOM 1843 C GLY A 117 92.668 16.972 0.256 1.00 0.00 C ATOM 1844 O GLY A 117 93.487 17.645 -0.338 1.00 0.00 O ATOM 0 H GLY A 117 92.986 14.505 0.400 1.00 0.00 H new ATOM 0 HA2 GLY A 117 91.754 16.223 -1.554 1.00 0.00 H new ATOM 0 HA3 GLY A 117 90.722 16.120 -0.142 1.00 0.00 H new ATOM 1848 N VAL A 118 92.540 17.049 1.552 1.00 0.00 N ATOM 1849 CA VAL A 118 93.407 17.976 2.332 1.00 0.00 C ATOM 1850 C VAL A 118 94.787 17.342 2.524 1.00 0.00 C ATOM 1851 O VAL A 118 94.925 16.312 3.152 1.00 0.00 O ATOM 1852 CB VAL A 118 92.772 18.242 3.698 1.00 0.00 C ATOM 1853 CG1 VAL A 118 92.831 16.970 4.546 1.00 0.00 C ATOM 1854 CG2 VAL A 118 93.539 19.361 4.407 1.00 0.00 C ATOM 0 H VAL A 118 91.873 16.510 2.104 1.00 0.00 H new ATOM 0 HA VAL A 118 93.511 18.917 1.792 1.00 0.00 H new ATOM 0 HB VAL A 118 91.733 18.541 3.562 1.00 0.00 H new ATOM 0 HG11 VAL A 118 92.378 17.160 5.519 1.00 0.00 H new ATOM 0 HG12 VAL A 118 92.286 16.171 4.042 1.00 0.00 H new ATOM 0 HG13 VAL A 118 93.870 16.671 4.681 1.00 0.00 H new ATOM 0 HG21 VAL A 118 93.087 19.551 5.381 1.00 0.00 H new ATOM 0 HG22 VAL A 118 94.578 19.061 4.542 1.00 0.00 H new ATOM 0 HG23 VAL A 118 93.498 20.268 3.804 1.00 0.00 H new ATOM 1864 N ALA A 119 95.810 17.952 1.987 1.00 0.00 N ATOM 1865 CA ALA A 119 97.178 17.383 2.138 1.00 0.00 C ATOM 1866 C ALA A 119 97.552 17.340 3.621 1.00 0.00 C ATOM 1867 O ALA A 119 97.546 16.295 4.243 1.00 0.00 O ATOM 1868 CB ALA A 119 98.181 18.258 1.385 1.00 0.00 C ATOM 0 H ALA A 119 95.756 18.818 1.451 1.00 0.00 H new ATOM 0 HA ALA A 119 97.198 16.373 1.729 1.00 0.00 H new ATOM 0 HB1 ALA A 119 99.182 17.841 1.496 1.00 0.00 H new ATOM 0 HB2 ALA A 119 97.916 18.289 0.328 1.00 0.00 H new ATOM 0 HB3 ALA A 119 98.161 19.268 1.794 1.00 0.00 H new ATOM 1874 N SER A 120 97.874 18.467 4.195 1.00 0.00 N ATOM 1875 CA SER A 120 98.247 18.490 5.637 1.00 0.00 C ATOM 1876 C SER A 120 97.031 18.106 6.483 1.00 0.00 C ATOM 1877 O SER A 120 96.622 16.962 6.517 1.00 0.00 O ATOM 1878 CB SER A 120 98.713 19.894 6.021 1.00 0.00 C ATOM 1879 OG SER A 120 99.898 20.208 5.300 1.00 0.00 O ATOM 0 H SER A 120 97.895 19.373 3.727 1.00 0.00 H new ATOM 0 HA SER A 120 99.054 17.779 5.816 1.00 0.00 H new ATOM 0 HB2 SER A 120 97.934 20.622 5.798 1.00 0.00 H new ATOM 0 HB3 SER A 120 98.901 19.947 7.093 1.00 0.00 H new ATOM 0 HG SER A 120 100.199 21.109 5.542 1.00 0.00 H new ATOM 1885 N GLY A 121 96.453 19.054 7.169 1.00 0.00 N ATOM 1886 CA GLY A 121 95.264 18.744 8.014 1.00 0.00 C ATOM 1887 C GLY A 121 95.355 19.522 9.328 1.00 0.00 C ATOM 1888 O GLY A 121 95.211 20.727 9.357 1.00 0.00 O ATOM 0 H GLY A 121 96.752 20.029 7.181 1.00 0.00 H new ATOM 0 HA2 GLY A 121 94.349 19.010 7.484 1.00 0.00 H new ATOM 0 HA3 GLY A 121 95.217 17.674 8.215 1.00 0.00 H new ATOM 1892 N PHE A 122 95.593 18.840 10.414 1.00 0.00 N ATOM 1893 CA PHE A 122 95.694 19.541 11.725 1.00 0.00 C ATOM 1894 C PHE A 122 96.303 18.594 12.762 1.00 0.00 C ATOM 1895 O PHE A 122 96.427 18.927 13.924 1.00 0.00 O ATOM 1896 CB PHE A 122 94.298 19.971 12.182 1.00 0.00 C ATOM 1897 CG PHE A 122 94.403 21.217 13.027 1.00 0.00 C ATOM 1898 CD1 PHE A 122 94.683 22.451 12.426 1.00 0.00 C ATOM 1899 CD2 PHE A 122 94.220 21.143 14.414 1.00 0.00 C ATOM 1900 CE1 PHE A 122 94.782 23.606 13.209 1.00 0.00 C ATOM 1901 CE2 PHE A 122 94.318 22.298 15.197 1.00 0.00 C ATOM 1902 CZ PHE A 122 94.598 23.529 14.595 1.00 0.00 C ATOM 0 H PHE A 122 95.722 17.829 10.451 1.00 0.00 H new ATOM 0 HA PHE A 122 96.328 20.421 11.620 1.00 0.00 H new ATOM 0 HB2 PHE A 122 93.663 20.159 11.316 1.00 0.00 H new ATOM 0 HB3 PHE A 122 93.829 19.170 12.754 1.00 0.00 H new ATOM 0 HD1 PHE A 122 94.823 22.511 11.357 1.00 0.00 H new ATOM 0 HD2 PHE A 122 94.003 20.193 14.879 1.00 0.00 H new ATOM 0 HE1 PHE A 122 95.000 24.556 12.745 1.00 0.00 H new ATOM 0 HE2 PHE A 122 94.177 22.239 16.266 1.00 0.00 H new ATOM 0 HZ PHE A 122 94.672 24.421 15.200 1.00 0.00 H new ATOM 1912 N LYS A 123 96.683 17.416 12.350 1.00 0.00 N ATOM 1913 CA LYS A 123 97.285 16.447 13.310 1.00 0.00 C ATOM 1914 C LYS A 123 98.637 16.976 13.789 1.00 0.00 C ATOM 1915 O LYS A 123 98.834 17.235 14.961 1.00 0.00 O ATOM 1916 CB LYS A 123 97.482 15.097 12.617 1.00 0.00 C ATOM 1917 CG LYS A 123 96.152 14.630 12.022 1.00 0.00 C ATOM 1918 CD LYS A 123 96.409 13.508 11.015 1.00 0.00 C ATOM 1919 CE LYS A 123 96.820 12.236 11.760 1.00 0.00 C ATOM 1920 NZ LYS A 123 96.813 11.083 10.817 1.00 0.00 N ATOM 0 H LYS A 123 96.603 17.082 11.390 1.00 0.00 H new ATOM 0 HA LYS A 123 96.620 16.323 14.165 1.00 0.00 H new ATOM 0 HB2 LYS A 123 98.233 15.185 11.832 1.00 0.00 H new ATOM 0 HB3 LYS A 123 97.852 14.361 13.330 1.00 0.00 H new ATOM 0 HG2 LYS A 123 95.491 14.278 12.814 1.00 0.00 H new ATOM 0 HG3 LYS A 123 95.648 15.463 11.533 1.00 0.00 H new ATOM 0 HD2 LYS A 123 95.512 13.322 10.425 1.00 0.00 H new ATOM 0 HD3 LYS A 123 97.193 13.803 10.318 1.00 0.00 H new ATOM 0 HE2 LYS A 123 97.813 12.360 12.192 1.00 0.00 H new ATOM 0 HE3 LYS A 123 96.134 12.048 12.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 97.092 10.219 11.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 95.858 10.961 10.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 97.484 11.263 10.043 1.00 0.00 H new ATOM 1934 N HIS A 124 99.573 17.141 12.894 1.00 0.00 N ATOM 1935 CA HIS A 124 100.912 17.653 13.299 1.00 0.00 C ATOM 1936 C HIS A 124 100.980 19.161 13.046 1.00 0.00 C ATOM 1937 O HIS A 124 101.234 19.602 11.943 1.00 0.00 O ATOM 1938 CB HIS A 124 101.997 16.945 12.482 1.00 0.00 C ATOM 1939 CG HIS A 124 101.514 15.575 12.089 1.00 0.00 C ATOM 1940 ND1 HIS A 124 100.671 15.372 11.006 1.00 0.00 N ATOM 1941 CD2 HIS A 124 101.747 14.332 12.623 1.00 0.00 C ATOM 1942 CE1 HIS A 124 100.429 14.049 10.923 1.00 0.00 C ATOM 1943 NE2 HIS A 124 101.061 13.374 11.884 1.00 0.00 N ATOM 0 H HIS A 124 99.467 16.943 11.899 1.00 0.00 H new ATOM 0 HA HIS A 124 101.072 17.457 14.359 1.00 0.00 H new ATOM 0 HB2 HIS A 124 102.236 17.527 11.592 1.00 0.00 H new ATOM 0 HB3 HIS A 124 102.914 16.866 13.066 1.00 0.00 H new ATOM 0 HD2 HIS A 124 102.367 14.129 13.484 1.00 0.00 H new ATOM 0 HE1 HIS A 124 99.802 13.592 10.172 1.00 0.00 H new ATOM 0 HE2 HIS A 124 101.045 12.367 12.044 1.00 0.00 H new ATOM 1951 N VAL A 125 100.758 19.953 14.059 1.00 0.00 N ATOM 1952 CA VAL A 125 100.810 21.432 13.877 1.00 0.00 C ATOM 1953 C VAL A 125 102.115 21.972 14.465 1.00 0.00 C ATOM 1954 O VAL A 125 102.143 22.489 15.564 1.00 0.00 O ATOM 1955 CB VAL A 125 99.621 22.076 14.592 1.00 0.00 C ATOM 1956 CG1 VAL A 125 99.345 23.454 13.988 1.00 0.00 C ATOM 1957 CG2 VAL A 125 98.385 21.190 14.425 1.00 0.00 C ATOM 0 H VAL A 125 100.543 19.640 15.006 1.00 0.00 H new ATOM 0 HA VAL A 125 100.765 21.670 12.814 1.00 0.00 H new ATOM 0 HB VAL A 125 99.851 22.184 15.652 1.00 0.00 H new ATOM 0 HG11 VAL A 125 98.498 23.912 14.498 1.00 0.00 H new ATOM 0 HG12 VAL A 125 100.225 24.086 14.107 1.00 0.00 H new ATOM 0 HG13 VAL A 125 99.116 23.347 12.928 1.00 0.00 H new ATOM 0 HG21 VAL A 125 97.537 21.648 14.934 1.00 0.00 H new ATOM 0 HG22 VAL A 125 98.156 21.081 13.365 1.00 0.00 H new ATOM 0 HG23 VAL A 125 98.580 20.208 14.857 1.00 0.00 H new ATOM 1967 N VAL A 126 103.195 21.855 13.743 1.00 0.00 N ATOM 1968 CA VAL A 126 104.497 22.362 14.264 1.00 0.00 C ATOM 1969 C VAL A 126 105.314 22.950 13.109 1.00 0.00 C ATOM 1970 O VAL A 126 106.190 22.305 12.568 1.00 0.00 O ATOM 1971 CB VAL A 126 105.274 21.210 14.907 1.00 0.00 C ATOM 1972 CG1 VAL A 126 104.517 20.711 16.140 1.00 0.00 C ATOM 1973 CG2 VAL A 126 105.422 20.061 13.901 1.00 0.00 C ATOM 0 H VAL A 126 103.233 21.431 12.816 1.00 0.00 H new ATOM 0 HA VAL A 126 104.314 23.135 15.010 1.00 0.00 H new ATOM 0 HB VAL A 126 106.263 21.562 15.202 1.00 0.00 H new ATOM 0 HG11 VAL A 126 105.069 19.891 16.599 1.00 0.00 H new ATOM 0 HG12 VAL A 126 104.414 21.525 16.858 1.00 0.00 H new ATOM 0 HG13 VAL A 126 103.528 20.361 15.843 1.00 0.00 H new ATOM 0 HG21 VAL A 126 105.975 19.243 14.362 1.00 0.00 H new ATOM 0 HG22 VAL A 126 104.434 19.709 13.603 1.00 0.00 H new ATOM 0 HG23 VAL A 126 105.961 20.414 13.022 1.00 0.00 H new ATOM 1983 N PRO A 127 105.020 24.166 12.739 1.00 0.00 N ATOM 1984 CA PRO A 127 105.732 24.867 11.630 1.00 0.00 C ATOM 1985 C PRO A 127 107.254 24.842 11.808 1.00 0.00 C ATOM 1986 O PRO A 127 107.814 23.889 12.314 1.00 0.00 O ATOM 1987 CB PRO A 127 105.209 26.306 11.708 1.00 0.00 C ATOM 1988 CG PRO A 127 103.894 26.215 12.407 1.00 0.00 C ATOM 1989 CD PRO A 127 103.975 25.007 13.340 1.00 0.00 C ATOM 0 HA PRO A 127 105.547 24.389 10.668 1.00 0.00 H new ATOM 0 HB2 PRO A 127 105.901 26.946 12.256 1.00 0.00 H new ATOM 0 HB3 PRO A 127 105.096 26.737 10.713 1.00 0.00 H new ATOM 0 HG2 PRO A 127 103.691 27.126 12.970 1.00 0.00 H new ATOM 0 HG3 PRO A 127 103.082 26.096 11.690 1.00 0.00 H new ATOM 0 HD2 PRO A 127 104.236 25.304 14.356 1.00 0.00 H new ATOM 0 HD3 PRO A 127 103.022 24.481 13.396 1.00 0.00 H new ATOM 1997 N ASN A 128 107.927 25.882 11.399 1.00 0.00 N ATOM 1998 CA ASN A 128 109.409 25.915 11.545 1.00 0.00 C ATOM 1999 C ASN A 128 110.024 24.787 10.711 1.00 0.00 C ATOM 2000 O ASN A 128 111.109 24.317 10.990 1.00 0.00 O ATOM 2001 CB ASN A 128 109.780 25.727 13.019 1.00 0.00 C ATOM 2002 CG ASN A 128 111.057 26.509 13.332 1.00 0.00 C ATOM 2003 OD1 ASN A 128 112.139 26.102 12.961 1.00 0.00 O ATOM 2004 ND2 ASN A 128 110.976 27.625 14.004 1.00 0.00 N ATOM 0 H ASN A 128 107.514 26.710 10.970 1.00 0.00 H new ATOM 0 HA ASN A 128 109.791 26.874 11.197 1.00 0.00 H new ATOM 0 HB2 ASN A 128 108.965 26.072 13.656 1.00 0.00 H new ATOM 0 HB3 ASN A 128 109.928 24.669 13.235 1.00 0.00 H new ATOM 0 HD21 ASN A 128 111.821 28.155 14.217 1.00 0.00 H new ATOM 0 HD22 ASN A 128 110.067 27.968 14.316 1.00 0.00 H new ATOM 2011 N GLU A 129 109.337 24.349 9.693 1.00 0.00 N ATOM 2012 CA GLU A 129 109.879 23.252 8.843 1.00 0.00 C ATOM 2013 C GLU A 129 111.303 23.599 8.408 1.00 0.00 C ATOM 2014 O GLU A 129 111.716 24.740 8.451 1.00 0.00 O ATOM 2015 CB GLU A 129 108.995 23.084 7.605 1.00 0.00 C ATOM 2016 CG GLU A 129 107.698 22.373 7.994 1.00 0.00 C ATOM 2017 CD GLU A 129 106.596 22.736 6.997 1.00 0.00 C ATOM 2018 OE1 GLU A 129 105.834 23.643 7.290 1.00 0.00 O ATOM 2019 OE2 GLU A 129 106.534 22.102 5.957 1.00 0.00 O ATOM 0 H GLU A 129 108.423 24.704 9.413 1.00 0.00 H new ATOM 0 HA GLU A 129 109.890 22.323 9.412 1.00 0.00 H new ATOM 0 HB2 GLU A 129 108.771 24.058 7.170 1.00 0.00 H new ATOM 0 HB3 GLU A 129 109.523 22.509 6.844 1.00 0.00 H new ATOM 0 HG2 GLU A 129 107.852 21.294 8.005 1.00 0.00 H new ATOM 0 HG3 GLU A 129 107.401 22.663 9.002 1.00 0.00 H new ATOM 2026 N VAL A 130 112.059 22.621 7.987 1.00 0.00 N ATOM 2027 CA VAL A 130 113.457 22.896 7.550 1.00 0.00 C ATOM 2028 C VAL A 130 113.436 23.555 6.170 1.00 0.00 C ATOM 2029 O VAL A 130 112.437 23.544 5.480 1.00 0.00 O ATOM 2030 CB VAL A 130 114.235 21.581 7.478 1.00 0.00 C ATOM 2031 CG1 VAL A 130 113.771 20.776 6.263 1.00 0.00 C ATOM 2032 CG2 VAL A 130 115.730 21.882 7.348 1.00 0.00 C ATOM 0 H VAL A 130 111.769 21.645 7.927 1.00 0.00 H new ATOM 0 HA VAL A 130 113.939 23.564 8.264 1.00 0.00 H new ATOM 0 HB VAL A 130 114.055 21.003 8.385 1.00 0.00 H new ATOM 0 HG11 VAL A 130 114.326 19.839 6.213 1.00 0.00 H new ATOM 0 HG12 VAL A 130 112.706 20.562 6.353 1.00 0.00 H new ATOM 0 HG13 VAL A 130 113.949 21.352 5.355 1.00 0.00 H new ATOM 0 HG21 VAL A 130 116.286 20.946 7.297 1.00 0.00 H new ATOM 0 HG22 VAL A 130 115.907 22.460 6.441 1.00 0.00 H new ATOM 0 HG23 VAL A 130 116.062 22.455 8.214 1.00 0.00 H new ATOM 2042 N VAL A 131 114.534 24.130 5.760 1.00 0.00 N ATOM 2043 CA VAL A 131 114.577 24.791 4.425 1.00 0.00 C ATOM 2044 C VAL A 131 114.375 23.742 3.330 1.00 0.00 C ATOM 2045 O VAL A 131 115.179 22.848 3.157 1.00 0.00 O ATOM 2046 CB VAL A 131 115.933 25.474 4.238 1.00 0.00 C ATOM 2047 CG1 VAL A 131 117.019 24.414 4.052 1.00 0.00 C ATOM 2048 CG2 VAL A 131 115.882 26.374 3.000 1.00 0.00 C ATOM 0 H VAL A 131 115.403 24.170 6.292 1.00 0.00 H new ATOM 0 HA VAL A 131 113.785 25.537 4.362 1.00 0.00 H new ATOM 0 HB VAL A 131 116.161 26.075 5.118 1.00 0.00 H new ATOM 0 HG11 VAL A 131 117.985 24.902 3.919 1.00 0.00 H new ATOM 0 HG12 VAL A 131 117.055 23.772 4.932 1.00 0.00 H new ATOM 0 HG13 VAL A 131 116.793 23.812 3.172 1.00 0.00 H new ATOM 0 HG21 VAL A 131 116.847 26.862 2.865 1.00 0.00 H new ATOM 0 HG22 VAL A 131 115.654 25.771 2.121 1.00 0.00 H new ATOM 0 HG23 VAL A 131 115.108 27.131 3.132 1.00 0.00 H new ATOM 2058 N VAL A 132 113.307 23.845 2.585 1.00 0.00 N ATOM 2059 CA VAL A 132 113.055 22.855 1.503 1.00 0.00 C ATOM 2060 C VAL A 132 113.836 23.257 0.251 1.00 0.00 C ATOM 2061 O VAL A 132 114.165 22.432 -0.578 1.00 0.00 O ATOM 2062 CB VAL A 132 111.559 22.821 1.181 1.00 0.00 C ATOM 2063 CG1 VAL A 132 111.318 21.929 -0.038 1.00 0.00 C ATOM 2064 CG2 VAL A 132 110.793 22.259 2.381 1.00 0.00 C ATOM 0 H VAL A 132 112.599 24.573 2.681 1.00 0.00 H new ATOM 0 HA VAL A 132 113.379 21.868 1.832 1.00 0.00 H new ATOM 0 HB VAL A 132 111.211 23.831 0.966 1.00 0.00 H new ATOM 0 HG11 VAL A 132 110.252 21.905 -0.267 1.00 0.00 H new ATOM 0 HG12 VAL A 132 111.864 22.327 -0.894 1.00 0.00 H new ATOM 0 HG13 VAL A 132 111.666 20.918 0.176 1.00 0.00 H new ATOM 0 HG21 VAL A 132 109.727 22.234 2.153 1.00 0.00 H new ATOM 0 HG22 VAL A 132 111.142 21.249 2.595 1.00 0.00 H new ATOM 0 HG23 VAL A 132 110.963 22.893 3.251 1.00 0.00 H new ATOM 2074 N GLN A 133 114.137 24.519 0.107 1.00 0.00 N ATOM 2075 CA GLN A 133 114.897 24.973 -1.092 1.00 0.00 C ATOM 2076 C GLN A 133 115.961 25.987 -0.665 1.00 0.00 C ATOM 2077 O GLN A 133 115.613 27.143 -0.483 1.00 0.00 O ATOM 2078 CB GLN A 133 113.937 25.630 -2.086 1.00 0.00 C ATOM 2079 CG GLN A 133 114.596 25.695 -3.465 1.00 0.00 C ATOM 2080 CD GLN A 133 113.969 26.829 -4.279 1.00 0.00 C ATOM 2081 OE1 GLN A 133 114.509 27.915 -4.347 1.00 0.00 O ATOM 2082 NE2 GLN A 133 112.841 26.621 -4.903 1.00 0.00 N ATOM 2083 OXT GLN A 133 117.108 25.591 -0.530 1.00 0.00 O ATOM 0 H GLN A 133 113.889 25.255 0.768 1.00 0.00 H new ATOM 0 HA GLN A 133 115.378 24.116 -1.564 1.00 0.00 H new ATOM 0 HB2 GLN A 133 113.009 25.061 -2.141 1.00 0.00 H new ATOM 0 HB3 GLN A 133 113.677 26.633 -1.748 1.00 0.00 H new ATOM 0 HG2 GLN A 133 115.668 25.859 -3.360 1.00 0.00 H new ATOM 0 HG3 GLN A 133 114.468 24.746 -3.986 1.00 0.00 H new ATOM 0 HE21 GLN A 133 112.387 25.709 -4.846 1.00 0.00 H new ATOM 0 HE22 GLN A 133 112.414 27.370 -5.447 1.00 0.00 H new TER 2092 GLN A 133