USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 778 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 94 LYS NZ :NH3+ -178:sc= 0.285 (180deg=0.275) USER MOD Set 1.2: A 96 SER OG : rot -160:sc= -0.359 USER MOD Set 2.1: A 81 ASN : amide:sc= -0.608 K(o=-0.42,f=-6.2!) USER MOD Set 2.2: A 82 THR OG1 : rot 58:sc= 0.186 USER MOD Set 3.1: A 22 THR OG1 : rot 67:sc= 1.28 USER MOD Set 3.2: A 69 ASN : amide:sc= 2.31 K(o=3.6,f=-2) USER MOD Set 4.1: A 3 MET CE :methyl -142:sc= 0 (180deg=-1.9) USER MOD Set 4.2: A 5 ASN : amide:sc= 0.13 K(o=-2.5,f=-5.7) USER MOD Set 4.3: A 84 ASN : amide:sc= -2.66 K(o=-2.5,f=-5.7!) USER MOD Single : A 1 GLY N :NH3+ -125:sc= 0.115 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HE2:sc= 0.578 K(o=0.58,f=-6.1!) USER MOD Single : A 11 MET CE :methyl -151:sc= -0.185 (180deg=-1.01) USER MOD Single : A 15 CYS SG : rot 12:sc= 0.54 USER MOD Single : A 23 ASN : amide:sc= -1.94! K(o=-1.9!,f=-3) USER MOD Single : A 27 ASN : amide:sc= 0.174 K(o=0.17,f=-2.4!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 GLN :FLIP amide:sc= -0.103 F(o=-2!,f=-0.1) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 33 MET CE :methyl 147:sc= -3.92! (180deg=-5.1!) USER MOD Single : A 34 THR OG1 : rot 180:sc= -2.03! USER MOD Single : A 35 GLN :FLIP amide:sc= -4.05! C(o=-5.6!,f=-4!) USER MOD Single : A 40 SER OG : rot -79:sc= 0.592 USER MOD Single : A 43 SER OG : rot 49:sc= 0.0466 USER MOD Single : A 44 SER OG : rot -72:sc= 1.2 USER MOD Single : A 50 SER OG : rot -93:sc= 1.17 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 166:sc= 1.25 (180deg=0.835) USER MOD Single : A 61 HIS :FLIP no HE2:sc= -2.2! C(o=-4.5!,f=-2.2!) USER MOD Single : A 62 SER OG : rot -154:sc= 0.0545 USER MOD Single : A 65 TYR OH : rot 180:sc= -0.0194 USER MOD Single : A 70 TYR OH : rot 18:sc= -1.13 USER MOD Single : A 72 THR OG1 : rot -175:sc= 0.596 USER MOD Single : A 74 LYS NZ :NH3+ -141:sc= 1.22 (180deg=-0.0639) USER MOD Single : A 89 GLN :FLIP amide:sc=-0.00256 F(o=-1.5,f=-0.0026) USER MOD Single : A 90 SER OG : rot -44:sc= 0.1 USER MOD Single : A 91 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.981) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.0115 USER MOD Single : A 97 TYR OH : rot 30:sc= -0.267 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.399 5.975 -18.656 1.00 0.00 N ATOM 2 CA GLY A 1 1.073 5.885 -18.794 1.00 0.00 C ATOM 3 C GLY A 1 1.572 4.478 -18.564 1.00 0.00 C ATOM 4 O GLY A 1 0.773 3.549 -18.435 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.804 6.389 -19.520 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.793 5.024 -18.510 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.635 6.576 -17.841 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.366 6.216 -19.790 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.547 6.560 -18.081 1.00 0.00 H new ATOM 10 N HIS A 2 2.889 4.308 -18.511 1.00 0.00 N ATOM 11 CA HIS A 2 3.472 2.995 -18.257 1.00 0.00 C ATOM 12 C HIS A 2 3.268 2.614 -16.801 1.00 0.00 C ATOM 13 O HIS A 2 2.716 1.557 -16.494 1.00 0.00 O ATOM 14 CB HIS A 2 4.971 2.970 -18.584 1.00 0.00 C ATOM 15 CG HIS A 2 5.289 3.118 -20.038 1.00 0.00 C ATOM 16 ND1 HIS A 2 5.637 2.054 -20.842 1.00 0.00 N ATOM 17 CD2 HIS A 2 5.330 4.215 -20.829 1.00 0.00 C ATOM 18 CE1 HIS A 2 5.874 2.492 -22.064 1.00 0.00 C ATOM 19 NE2 HIS A 2 5.695 3.798 -22.083 1.00 0.00 N ATOM 0 H HIS A 2 3.569 5.057 -18.640 1.00 0.00 H new ATOM 0 HA HIS A 2 2.970 2.277 -18.905 1.00 0.00 H new ATOM 0 HB2 HIS A 2 5.464 3.771 -18.033 1.00 0.00 H new ATOM 0 HB3 HIS A 2 5.393 2.031 -18.226 1.00 0.00 H new ATOM 0 HD2 HIS A 2 5.115 5.230 -20.529 1.00 0.00 H new ATOM 0 HE1 HIS A 2 6.166 1.883 -22.907 1.00 0.00 H new ATOM 0 HE2 HIS A 2 5.809 4.400 -22.898 1.00 0.00 H new ATOM 28 N MET A 3 3.710 3.492 -15.917 1.00 0.00 N ATOM 29 CA MET A 3 3.566 3.292 -14.482 1.00 0.00 C ATOM 30 C MET A 3 3.836 4.598 -13.756 1.00 0.00 C ATOM 31 O MET A 3 3.005 5.061 -12.973 1.00 0.00 O ATOM 32 CB MET A 3 4.529 2.207 -13.985 1.00 0.00 C ATOM 33 CG MET A 3 4.414 1.921 -12.495 1.00 0.00 C ATOM 34 SD MET A 3 5.608 0.694 -11.931 1.00 0.00 S ATOM 35 CE MET A 3 5.200 0.608 -10.190 1.00 0.00 C ATOM 0 H MET A 3 4.178 4.362 -16.171 1.00 0.00 H new ATOM 0 HA MET A 3 2.547 2.965 -14.275 1.00 0.00 H new ATOM 0 HB2 MET A 3 4.341 1.287 -14.538 1.00 0.00 H new ATOM 0 HB3 MET A 3 5.551 2.511 -14.210 1.00 0.00 H new ATOM 0 HG2 MET A 3 4.560 2.847 -11.939 1.00 0.00 H new ATOM 0 HG3 MET A 3 3.406 1.571 -12.273 1.00 0.00 H new ATOM 0 HE1 MET A 3 6.114 0.498 -9.607 1.00 0.00 H new ATOM 0 HE2 MET A 3 4.687 1.522 -9.891 1.00 0.00 H new ATOM 0 HE3 MET A 3 4.550 -0.248 -10.011 1.00 0.00 H new ATOM 45 N SER A 4 4.990 5.196 -14.047 1.00 0.00 N ATOM 46 CA SER A 4 5.402 6.446 -13.423 1.00 0.00 C ATOM 47 C SER A 4 5.366 6.309 -11.902 1.00 0.00 C ATOM 48 O SER A 4 4.503 6.878 -11.228 1.00 0.00 O ATOM 49 CB SER A 4 4.504 7.599 -13.897 1.00 0.00 C ATOM 50 OG SER A 4 4.955 8.853 -13.405 1.00 0.00 O ATOM 0 H SER A 4 5.662 4.827 -14.720 1.00 0.00 H new ATOM 0 HA SER A 4 6.426 6.673 -13.720 1.00 0.00 H new ATOM 0 HB2 SER A 4 4.485 7.621 -14.987 1.00 0.00 H new ATOM 0 HB3 SER A 4 3.481 7.424 -13.564 1.00 0.00 H new ATOM 0 HG SER A 4 4.362 9.563 -13.727 1.00 0.00 H new ATOM 56 N ASN A 5 6.303 5.538 -11.368 1.00 0.00 N ATOM 57 CA ASN A 5 6.351 5.286 -9.937 1.00 0.00 C ATOM 58 C ASN A 5 7.051 6.435 -9.225 1.00 0.00 C ATOM 59 O ASN A 5 8.188 6.302 -8.768 1.00 0.00 O ATOM 60 CB ASN A 5 7.070 3.967 -9.637 1.00 0.00 C ATOM 61 CG ASN A 5 6.880 3.512 -8.198 1.00 0.00 C ATOM 62 OD1 ASN A 5 5.959 2.761 -7.890 1.00 0.00 O ATOM 63 ND2 ASN A 5 7.741 3.973 -7.304 1.00 0.00 N ATOM 0 H ASN A 5 7.038 5.077 -11.904 1.00 0.00 H new ATOM 0 HA ASN A 5 5.327 5.209 -9.571 1.00 0.00 H new ATOM 0 HB2 ASN A 5 6.700 3.194 -10.311 1.00 0.00 H new ATOM 0 HB3 ASN A 5 8.135 4.083 -9.840 1.00 0.00 H new ATOM 0 HD21 ASN A 5 7.651 3.706 -6.324 1.00 0.00 H new ATOM 0 HD22 ASN A 5 8.495 4.596 -7.595 1.00 0.00 H new ATOM 70 N GLY A 6 6.383 7.571 -9.176 1.00 0.00 N ATOM 71 CA GLY A 6 6.894 8.695 -8.427 1.00 0.00 C ATOM 72 C GLY A 6 6.408 8.649 -7.002 1.00 0.00 C ATOM 73 O GLY A 6 7.013 7.988 -6.160 1.00 0.00 O ATOM 0 H GLY A 6 5.492 7.737 -9.643 1.00 0.00 H new ATOM 0 HA2 GLY A 6 7.984 8.686 -8.445 1.00 0.00 H new ATOM 0 HA3 GLY A 6 6.575 9.626 -8.896 1.00 0.00 H new ATOM 77 N TYR A 7 5.298 9.337 -6.749 1.00 0.00 N ATOM 78 CA TYR A 7 4.628 9.321 -5.451 1.00 0.00 C ATOM 79 C TYR A 7 5.576 9.736 -4.332 1.00 0.00 C ATOM 80 O TYR A 7 6.206 8.889 -3.694 1.00 0.00 O ATOM 81 CB TYR A 7 4.030 7.934 -5.167 1.00 0.00 C ATOM 82 CG TYR A 7 3.164 7.413 -6.298 1.00 0.00 C ATOM 83 CD1 TYR A 7 3.665 6.494 -7.215 1.00 0.00 C ATOM 84 CD2 TYR A 7 1.852 7.853 -6.461 1.00 0.00 C ATOM 85 CE1 TYR A 7 2.888 6.033 -8.260 1.00 0.00 C ATOM 86 CE2 TYR A 7 1.071 7.390 -7.501 1.00 0.00 C ATOM 87 CZ TYR A 7 1.594 6.483 -8.398 1.00 0.00 C ATOM 88 OH TYR A 7 0.818 6.033 -9.446 1.00 0.00 O ATOM 0 H TYR A 7 4.835 9.925 -7.442 1.00 0.00 H new ATOM 0 HA TYR A 7 3.816 10.048 -5.487 1.00 0.00 H new ATOM 0 HB2 TYR A 7 4.839 7.227 -4.983 1.00 0.00 H new ATOM 0 HB3 TYR A 7 3.435 7.982 -4.255 1.00 0.00 H new ATOM 0 HD1 TYR A 7 4.678 6.135 -7.108 1.00 0.00 H new ATOM 0 HD2 TYR A 7 1.440 8.567 -5.763 1.00 0.00 H new ATOM 0 HE1 TYR A 7 3.294 5.323 -8.965 1.00 0.00 H new ATOM 0 HE2 TYR A 7 0.054 7.737 -7.611 1.00 0.00 H new ATOM 0 HH TYR A 7 -0.069 6.447 -9.397 1.00 0.00 H new ATOM 98 N GLU A 8 5.681 11.043 -4.109 1.00 0.00 N ATOM 99 CA GLU A 8 6.524 11.564 -3.043 1.00 0.00 C ATOM 100 C GLU A 8 6.096 10.955 -1.714 1.00 0.00 C ATOM 101 O GLU A 8 4.966 11.139 -1.254 1.00 0.00 O ATOM 102 CB GLU A 8 6.469 13.089 -3.000 1.00 0.00 C ATOM 103 CG GLU A 8 7.429 13.699 -1.998 1.00 0.00 C ATOM 104 CD GLU A 8 7.312 15.204 -1.918 1.00 0.00 C ATOM 105 OE1 GLU A 8 6.541 15.701 -1.073 1.00 0.00 O ATOM 106 OE2 GLU A 8 7.997 15.900 -2.699 1.00 0.00 O1- ATOM 0 H GLU A 8 5.194 11.757 -4.651 1.00 0.00 H new ATOM 0 HA GLU A 8 7.560 11.285 -3.237 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.693 13.481 -3.992 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.454 13.402 -2.756 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.240 13.271 -1.013 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.450 13.432 -2.271 1.00 0.00 H new ATOM 113 N ASP A 9 7.026 10.237 -1.115 1.00 0.00 N ATOM 114 CA ASP A 9 6.735 9.302 -0.038 1.00 0.00 C ATOM 115 C ASP A 9 8.032 8.654 0.380 1.00 0.00 C ATOM 116 O ASP A 9 8.418 8.645 1.544 1.00 0.00 O ATOM 117 CB ASP A 9 5.746 8.245 -0.556 1.00 0.00 C ATOM 118 CG ASP A 9 5.595 7.040 0.347 1.00 0.00 C ATOM 119 OD1 ASP A 9 6.482 6.159 0.320 1.00 0.00 O ATOM 120 OD2 ASP A 9 4.557 6.938 1.031 1.00 0.00 O1- ATOM 0 H ASP A 9 8.014 10.284 -1.362 1.00 0.00 H new ATOM 0 HA ASP A 9 6.290 9.810 0.818 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.769 8.711 -0.687 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.073 7.909 -1.540 1.00 0.00 H new ATOM 125 N HIS A 10 8.684 8.130 -0.625 1.00 0.00 N ATOM 126 CA HIS A 10 10.026 7.579 -0.518 1.00 0.00 C ATOM 127 C HIS A 10 10.665 7.656 -1.899 1.00 0.00 C ATOM 128 O HIS A 10 11.687 7.031 -2.181 1.00 0.00 O ATOM 129 CB HIS A 10 9.980 6.131 0.002 1.00 0.00 C ATOM 130 CG HIS A 10 9.488 5.131 -1.009 1.00 0.00 C ATOM 131 ND1 HIS A 10 8.153 4.955 -1.309 1.00 0.00 N ATOM 132 CD2 HIS A 10 10.166 4.277 -1.812 1.00 0.00 C ATOM 133 CE1 HIS A 10 8.033 4.038 -2.258 1.00 0.00 C ATOM 134 NE2 HIS A 10 9.239 3.613 -2.576 1.00 0.00 N ATOM 0 H HIS A 10 8.295 8.069 -1.566 1.00 0.00 H new ATOM 0 HA HIS A 10 10.620 8.149 0.197 1.00 0.00 H new ATOM 0 HB2 HIS A 10 10.979 5.841 0.327 1.00 0.00 H new ATOM 0 HB3 HIS A 10 9.335 6.092 0.880 1.00 0.00 H new ATOM 0 HD1 HIS A 10 7.379 5.453 -0.869 1.00 0.00 H new ATOM 0 HD2 HIS A 10 11.237 4.143 -1.845 1.00 0.00 H new ATOM 0 HE1 HIS A 10 7.106 3.698 -2.696 1.00 0.00 H new ATOM 143 N MET A 11 10.028 8.463 -2.745 1.00 0.00 N ATOM 144 CA MET A 11 10.402 8.630 -4.135 1.00 0.00 C ATOM 145 C MET A 11 11.820 9.166 -4.258 1.00 0.00 C ATOM 146 O MET A 11 12.642 8.619 -4.992 1.00 0.00 O ATOM 147 CB MET A 11 9.397 9.581 -4.797 1.00 0.00 C ATOM 148 CG MET A 11 9.808 10.061 -6.173 1.00 0.00 C ATOM 149 SD MET A 11 10.554 11.707 -6.150 1.00 0.00 S ATOM 150 CE MET A 11 9.166 12.710 -5.614 1.00 0.00 C ATOM 0 H MET A 11 9.223 9.027 -2.472 1.00 0.00 H new ATOM 0 HA MET A 11 10.381 7.664 -4.639 1.00 0.00 H new ATOM 0 HB2 MET A 11 8.433 9.077 -4.873 1.00 0.00 H new ATOM 0 HB3 MET A 11 9.254 10.447 -4.151 1.00 0.00 H new ATOM 0 HG2 MET A 11 10.516 9.353 -6.603 1.00 0.00 H new ATOM 0 HG3 MET A 11 8.934 10.073 -6.824 1.00 0.00 H new ATOM 0 HE1 MET A 11 9.265 13.716 -6.022 1.00 0.00 H new ATOM 0 HE2 MET A 11 8.237 12.265 -5.969 1.00 0.00 H new ATOM 0 HE3 MET A 11 9.152 12.759 -4.525 1.00 0.00 H new ATOM 160 N ALA A 12 12.105 10.223 -3.519 1.00 0.00 N ATOM 161 CA ALA A 12 13.425 10.822 -3.537 1.00 0.00 C ATOM 162 C ALA A 12 14.220 10.374 -2.322 1.00 0.00 C ATOM 163 O ALA A 12 14.962 11.165 -1.731 1.00 0.00 O ATOM 164 CB ALA A 12 13.314 12.337 -3.577 1.00 0.00 C ATOM 0 H ALA A 12 11.439 10.684 -2.899 1.00 0.00 H new ATOM 0 HA ALA A 12 13.950 10.492 -4.433 1.00 0.00 H new ATOM 0 HB1 ALA A 12 14.312 12.775 -3.590 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.774 12.639 -4.474 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.776 12.686 -2.695 1.00 0.00 H new ATOM 170 N GLU A 13 14.052 9.097 -1.957 1.00 0.00 N ATOM 171 CA GLU A 13 14.712 8.523 -0.785 1.00 0.00 C ATOM 172 C GLU A 13 14.250 9.281 0.437 1.00 0.00 C ATOM 173 O GLU A 13 13.040 9.421 0.646 1.00 0.00 O ATOM 174 CB GLU A 13 16.235 8.597 -0.923 1.00 0.00 C ATOM 175 CG GLU A 13 16.719 8.280 -2.319 1.00 0.00 C ATOM 176 CD GLU A 13 18.221 8.271 -2.429 1.00 0.00 C ATOM 177 OE1 GLU A 13 18.799 7.180 -2.624 1.00 0.00 O ATOM 178 OE2 GLU A 13 18.836 9.352 -2.321 1.00 0.00 O1- ATOM 0 H GLU A 13 13.459 8.440 -2.463 1.00 0.00 H new ATOM 0 HA GLU A 13 14.447 7.470 -0.693 1.00 0.00 H new ATOM 0 HB2 GLU A 13 16.571 9.596 -0.646 1.00 0.00 H new ATOM 0 HB3 GLU A 13 16.692 7.901 -0.219 1.00 0.00 H new ATOM 0 HG2 GLU A 13 16.332 7.307 -2.621 1.00 0.00 H new ATOM 0 HG3 GLU A 13 16.313 9.014 -3.015 1.00 0.00 H new ATOM 185 N ASP A 14 15.209 9.751 1.235 1.00 0.00 N ATOM 186 CA ASP A 14 14.940 10.716 2.302 1.00 0.00 C ATOM 187 C ASP A 14 14.289 10.063 3.506 1.00 0.00 C ATOM 188 O ASP A 14 14.804 10.104 4.623 1.00 0.00 O ATOM 189 CB ASP A 14 14.022 11.814 1.773 1.00 0.00 C ATOM 190 CG ASP A 14 13.616 12.807 2.839 1.00 0.00 C ATOM 191 OD1 ASP A 14 12.467 12.725 3.325 1.00 0.00 O ATOM 192 OD2 ASP A 14 14.434 13.687 3.185 1.00 0.00 O1- ATOM 0 H ASP A 14 16.188 9.476 1.161 1.00 0.00 H new ATOM 0 HA ASP A 14 15.895 11.134 2.620 1.00 0.00 H new ATOM 0 HB2 ASP A 14 14.526 12.343 0.964 1.00 0.00 H new ATOM 0 HB3 ASP A 14 13.127 11.359 1.348 1.00 0.00 H new ATOM 197 N CYS A 15 13.151 9.466 3.254 1.00 0.00 N ATOM 198 CA CYS A 15 12.327 8.896 4.283 1.00 0.00 C ATOM 199 C CYS A 15 12.846 7.537 4.717 1.00 0.00 C ATOM 200 O CYS A 15 13.700 6.938 4.060 1.00 0.00 O ATOM 201 CB CYS A 15 10.912 8.798 3.756 1.00 0.00 C ATOM 202 SG CYS A 15 10.200 10.408 3.341 1.00 0.00 S ATOM 0 H CYS A 15 12.768 9.362 2.314 1.00 0.00 H new ATOM 0 HA CYS A 15 12.349 9.534 5.166 1.00 0.00 H new ATOM 0 HB2 CYS A 15 10.903 8.164 2.870 1.00 0.00 H new ATOM 0 HB3 CYS A 15 10.285 8.311 4.503 1.00 0.00 H new ATOM 0 HG CYS A 15 11.136 11.311 3.346 1.00 0.00 H new ATOM 208 N ARG A 16 12.326 7.060 5.832 1.00 0.00 N ATOM 209 CA ARG A 16 12.804 5.833 6.439 1.00 0.00 C ATOM 210 C ARG A 16 12.117 4.634 5.812 1.00 0.00 C ATOM 211 O ARG A 16 11.229 4.021 6.406 1.00 0.00 O ATOM 212 CB ARG A 16 12.582 5.859 7.954 1.00 0.00 C ATOM 213 CG ARG A 16 13.423 6.907 8.672 1.00 0.00 C ATOM 214 CD ARG A 16 12.978 8.326 8.343 1.00 0.00 C ATOM 215 NE ARG A 16 14.008 9.311 8.661 1.00 0.00 N ATOM 216 CZ ARG A 16 14.010 10.565 8.210 1.00 0.00 C ATOM 217 NH1 ARG A 16 13.016 11.003 7.444 1.00 0.00 N1+ ATOM 218 NH2 ARG A 16 15.003 11.385 8.523 1.00 0.00 N ATOM 0 H ARG A 16 11.564 7.510 6.340 1.00 0.00 H new ATOM 0 HA ARG A 16 13.875 5.749 6.257 1.00 0.00 H new ATOM 0 HB2 ARG A 16 11.528 6.049 8.156 1.00 0.00 H new ATOM 0 HB3 ARG A 16 12.813 4.876 8.364 1.00 0.00 H new ATOM 0 HG2 ARG A 16 13.357 6.748 9.748 1.00 0.00 H new ATOM 0 HG3 ARG A 16 14.470 6.783 8.395 1.00 0.00 H new ATOM 0 HD2 ARG A 16 12.729 8.391 7.284 1.00 0.00 H new ATOM 0 HD3 ARG A 16 12.070 8.559 8.899 1.00 0.00 H new ATOM 0 HE ARG A 16 14.775 9.021 9.267 1.00 0.00 H new ATOM 0 HH11 ARG A 16 12.248 10.379 7.199 1.00 0.00 H new ATOM 0 HH12 ARG A 16 13.022 11.964 7.101 1.00 0.00 H new ATOM 0 HH21 ARG A 16 15.769 11.057 9.111 1.00 0.00 H new ATOM 0 HH22 ARG A 16 15.001 12.344 8.176 1.00 0.00 H new ATOM 232 N GLY A 17 12.535 4.313 4.599 1.00 0.00 N ATOM 233 CA GLY A 17 11.934 3.224 3.874 1.00 0.00 C ATOM 234 C GLY A 17 12.961 2.247 3.351 1.00 0.00 C ATOM 235 O GLY A 17 12.822 1.731 2.246 1.00 0.00 O ATOM 0 H GLY A 17 13.286 4.793 4.103 1.00 0.00 H new ATOM 0 HA2 GLY A 17 11.235 2.699 4.525 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.356 3.621 3.040 1.00 0.00 H new ATOM 239 N ASP A 18 13.985 1.971 4.146 1.00 0.00 N ATOM 240 CA ASP A 18 15.017 1.017 3.745 1.00 0.00 C ATOM 241 C ASP A 18 15.634 0.364 4.978 1.00 0.00 C ATOM 242 O ASP A 18 16.747 -0.158 4.943 1.00 0.00 O ATOM 243 CB ASP A 18 16.091 1.716 2.903 1.00 0.00 C ATOM 244 CG ASP A 18 16.894 0.740 2.066 1.00 0.00 C ATOM 245 OD1 ASP A 18 18.133 0.687 2.221 1.00 0.00 O ATOM 246 OD2 ASP A 18 16.288 0.018 1.246 1.00 0.00 O1- ATOM 0 H ASP A 18 14.126 2.389 5.066 1.00 0.00 H new ATOM 0 HA ASP A 18 14.561 0.238 3.134 1.00 0.00 H new ATOM 0 HB2 ASP A 18 15.617 2.447 2.249 1.00 0.00 H new ATOM 0 HB3 ASP A 18 16.764 2.266 3.561 1.00 0.00 H new ATOM 251 N ILE A 19 14.887 0.394 6.073 1.00 0.00 N ATOM 252 CA ILE A 19 15.334 -0.191 7.330 1.00 0.00 C ATOM 253 C ILE A 19 14.790 -1.607 7.466 1.00 0.00 C ATOM 254 O ILE A 19 15.491 -2.588 7.224 1.00 0.00 O ATOM 255 CB ILE A 19 14.888 0.641 8.550 1.00 0.00 C ATOM 256 CG1 ILE A 19 14.106 1.875 8.110 1.00 0.00 C ATOM 257 CG2 ILE A 19 16.092 1.055 9.375 1.00 0.00 C ATOM 258 CD1 ILE A 19 12.632 1.815 8.444 1.00 0.00 C ATOM 0 H ILE A 19 13.962 0.821 6.116 1.00 0.00 H new ATOM 0 HA ILE A 19 16.424 -0.204 7.310 1.00 0.00 H new ATOM 0 HB ILE A 19 14.235 0.020 9.163 1.00 0.00 H new ATOM 0 HG12 ILE A 19 14.540 2.756 8.582 1.00 0.00 H new ATOM 0 HG13 ILE A 19 14.220 2.001 7.033 1.00 0.00 H new ATOM 0 HG21 ILE A 19 15.761 1.641 10.232 1.00 0.00 H new ATOM 0 HG22 ILE A 19 16.617 0.166 9.724 1.00 0.00 H new ATOM 0 HG23 ILE A 19 16.764 1.656 8.762 1.00 0.00 H new ATOM 0 HD11 ILE A 19 12.144 2.727 8.100 1.00 0.00 H new ATOM 0 HD12 ILE A 19 12.182 0.954 7.950 1.00 0.00 H new ATOM 0 HD13 ILE A 19 12.507 1.721 9.523 1.00 0.00 H new ATOM 270 N GLY A 20 13.522 -1.688 7.820 1.00 0.00 N ATOM 271 CA GLY A 20 12.826 -2.960 7.891 1.00 0.00 C ATOM 272 C GLY A 20 11.373 -2.763 7.549 1.00 0.00 C ATOM 273 O GLY A 20 10.482 -3.342 8.171 1.00 0.00 O ATOM 0 H GLY A 20 12.948 -0.881 8.065 1.00 0.00 H new ATOM 0 HA2 GLY A 20 13.279 -3.672 7.201 1.00 0.00 H new ATOM 0 HA3 GLY A 20 12.920 -3.382 8.892 1.00 0.00 H new ATOM 277 N ARG A 21 11.157 -1.930 6.542 1.00 0.00 N ATOM 278 CA ARG A 21 9.826 -1.467 6.177 1.00 0.00 C ATOM 279 C ARG A 21 8.975 -2.558 5.540 1.00 0.00 C ATOM 280 O ARG A 21 9.122 -2.884 4.364 1.00 0.00 O ATOM 281 CB ARG A 21 9.913 -0.253 5.249 1.00 0.00 C ATOM 282 CG ARG A 21 11.200 -0.167 4.441 1.00 0.00 C ATOM 283 CD ARG A 21 11.336 -1.288 3.418 1.00 0.00 C ATOM 284 NE ARG A 21 12.441 -1.056 2.484 1.00 0.00 N ATOM 285 CZ ARG A 21 12.876 -1.957 1.602 1.00 0.00 C ATOM 286 NH1 ARG A 21 12.281 -3.140 1.508 1.00 0.00 N1+ ATOM 287 NH2 ARG A 21 13.896 -1.669 0.807 1.00 0.00 N ATOM 0 H ARG A 21 11.901 -1.555 5.954 1.00 0.00 H new ATOM 0 HA ARG A 21 9.332 -1.178 7.104 1.00 0.00 H new ATOM 0 HB2 ARG A 21 9.068 -0.276 4.561 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.813 0.653 5.847 1.00 0.00 H new ATOM 0 HG2 ARG A 21 11.236 0.793 3.927 1.00 0.00 H new ATOM 0 HG3 ARG A 21 12.052 -0.197 5.120 1.00 0.00 H new ATOM 0 HD2 ARG A 21 11.494 -2.233 3.937 1.00 0.00 H new ATOM 0 HD3 ARG A 21 10.405 -1.383 2.860 1.00 0.00 H new ATOM 0 HE ARG A 21 12.907 -0.149 2.510 1.00 0.00 H new ATOM 0 HH11 ARG A 21 11.489 -3.362 2.111 1.00 0.00 H new ATOM 0 HH12 ARG A 21 12.616 -3.827 0.833 1.00 0.00 H new ATOM 0 HH21 ARG A 21 14.349 -0.757 0.869 1.00 0.00 H new ATOM 0 HH22 ARG A 21 14.228 -2.359 0.133 1.00 0.00 H new ATOM 301 N THR A 22 8.088 -3.115 6.332 1.00 0.00 N ATOM 302 CA THR A 22 7.149 -4.102 5.848 1.00 0.00 C ATOM 303 C THR A 22 5.769 -3.471 5.697 1.00 0.00 C ATOM 304 O THR A 22 4.915 -3.971 4.966 1.00 0.00 O ATOM 305 CB THR A 22 7.083 -5.295 6.815 1.00 0.00 C ATOM 306 OG1 THR A 22 6.818 -4.827 8.144 1.00 0.00 O ATOM 307 CG2 THR A 22 8.391 -6.063 6.810 1.00 0.00 C ATOM 0 H THR A 22 7.997 -2.899 7.325 1.00 0.00 H new ATOM 0 HA THR A 22 7.485 -4.462 4.876 1.00 0.00 H new ATOM 0 HB THR A 22 6.282 -5.958 6.488 1.00 0.00 H new ATOM 0 HG1 THR A 22 5.917 -4.443 8.182 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.322 -6.903 7.501 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.591 -6.435 5.805 1.00 0.00 H new ATOM 0 HG23 THR A 22 9.201 -5.403 7.120 1.00 0.00 H new ATOM 315 N ASN A 23 5.573 -2.362 6.401 1.00 0.00 N ATOM 316 CA ASN A 23 4.312 -1.629 6.371 1.00 0.00 C ATOM 317 C ASN A 23 4.181 -0.873 5.062 1.00 0.00 C ATOM 318 O ASN A 23 5.058 -0.085 4.701 1.00 0.00 O ATOM 319 CB ASN A 23 4.257 -0.625 7.516 1.00 0.00 C ATOM 320 CG ASN A 23 2.874 -0.027 7.701 1.00 0.00 C ATOM 321 OD1 ASN A 23 1.859 -0.658 7.404 1.00 0.00 O ATOM 322 ND2 ASN A 23 2.825 1.194 8.208 1.00 0.00 N ATOM 0 H ASN A 23 6.281 -1.947 7.007 1.00 0.00 H new ATOM 0 HA ASN A 23 3.498 -2.347 6.471 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.563 -1.116 8.440 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.973 0.175 7.328 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.924 1.645 8.366 1.00 0.00 H new ATOM 0 HD22 ASN A 23 3.688 1.684 8.441 1.00 0.00 H new ATOM 329 N LEU A 24 3.094 -1.096 4.358 1.00 0.00 N ATOM 330 CA LEU A 24 2.884 -0.451 3.080 1.00 0.00 C ATOM 331 C LEU A 24 1.645 0.425 3.109 1.00 0.00 C ATOM 332 O LEU A 24 0.524 -0.063 3.242 1.00 0.00 O ATOM 333 CB LEU A 24 2.754 -1.508 1.985 1.00 0.00 C ATOM 334 CG LEU A 24 3.767 -1.415 0.848 1.00 0.00 C ATOM 335 CD1 LEU A 24 5.185 -1.310 1.380 1.00 0.00 C ATOM 336 CD2 LEU A 24 3.642 -2.628 -0.041 1.00 0.00 C ATOM 0 H LEU A 24 2.341 -1.719 4.648 1.00 0.00 H new ATOM 0 HA LEU A 24 3.743 0.186 2.869 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.841 -2.493 2.445 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.752 -1.442 1.560 1.00 0.00 H new ATOM 0 HG LEU A 24 3.555 -0.513 0.274 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.883 -1.245 0.545 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.276 -0.418 1.999 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.415 -2.192 1.978 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.366 -2.560 -0.853 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.834 -3.528 0.543 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.635 -2.673 -0.456 1.00 0.00 H new ATOM 348 N ILE A 25 1.861 1.721 2.984 1.00 0.00 N ATOM 349 CA ILE A 25 0.773 2.658 2.852 1.00 0.00 C ATOM 350 C ILE A 25 0.285 2.628 1.414 1.00 0.00 C ATOM 351 O ILE A 25 1.062 2.802 0.472 1.00 0.00 O ATOM 352 CB ILE A 25 1.176 4.099 3.246 1.00 0.00 C ATOM 353 CG1 ILE A 25 -0.073 4.977 3.283 1.00 0.00 C ATOM 354 CG2 ILE A 25 2.240 4.662 2.311 1.00 0.00 C ATOM 355 CD1 ILE A 25 0.198 6.456 3.424 1.00 0.00 C ATOM 0 H ILE A 25 2.788 2.146 2.972 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.019 2.359 3.538 1.00 0.00 H new ATOM 0 HB ILE A 25 1.624 4.084 4.240 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.644 4.812 2.369 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.701 4.656 4.114 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.497 5.675 2.620 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.130 4.034 2.352 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.855 4.680 1.291 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.747 6.999 3.441 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.739 6.640 4.352 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.798 6.798 2.581 1.00 0.00 H new ATOM 367 N VAL A 26 -0.982 2.352 1.237 1.00 0.00 N ATOM 368 CA VAL A 26 -1.548 2.277 -0.087 1.00 0.00 C ATOM 369 C VAL A 26 -2.572 3.374 -0.260 1.00 0.00 C ATOM 370 O VAL A 26 -3.675 3.308 0.279 1.00 0.00 O ATOM 371 CB VAL A 26 -2.193 0.918 -0.349 1.00 0.00 C ATOM 372 CG1 VAL A 26 -2.495 0.756 -1.830 1.00 0.00 C ATOM 373 CG2 VAL A 26 -1.277 -0.183 0.140 1.00 0.00 C ATOM 0 H VAL A 26 -1.643 2.175 1.994 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.741 2.405 -0.808 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.135 0.854 0.196 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.955 -0.217 -2.003 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.179 1.542 -2.150 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.569 0.826 -2.400 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.740 -1.152 -0.048 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.326 -0.126 -0.389 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.105 -0.065 1.210 1.00 0.00 H new ATOM 383 N ASN A 27 -2.184 4.395 -0.988 1.00 0.00 N ATOM 384 CA ASN A 27 -3.031 5.549 -1.192 1.00 0.00 C ATOM 385 C ASN A 27 -3.906 5.332 -2.404 1.00 0.00 C ATOM 386 O ASN A 27 -3.748 4.343 -3.120 1.00 0.00 O ATOM 387 CB ASN A 27 -2.186 6.803 -1.409 1.00 0.00 C ATOM 388 CG ASN A 27 -2.784 8.028 -0.754 1.00 0.00 C ATOM 389 OD1 ASN A 27 -3.718 8.636 -1.277 1.00 0.00 O ATOM 390 ND2 ASN A 27 -2.213 8.425 0.368 1.00 0.00 N ATOM 0 H ASN A 27 -1.278 4.450 -1.453 1.00 0.00 H new ATOM 0 HA ASN A 27 -3.649 5.683 -0.304 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.185 6.635 -1.012 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.078 6.983 -2.479 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -2.543 9.268 0.838 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -1.441 7.889 0.765 1.00 0.00 H new ATOM 397 N TYR A 28 -4.817 6.265 -2.623 1.00 0.00 N ATOM 398 CA TYR A 28 -5.654 6.284 -3.812 1.00 0.00 C ATOM 399 C TYR A 28 -6.488 5.008 -3.941 1.00 0.00 C ATOM 400 O TYR A 28 -6.789 4.563 -5.047 1.00 0.00 O ATOM 401 CB TYR A 28 -4.783 6.484 -5.054 1.00 0.00 C ATOM 402 CG TYR A 28 -3.888 7.704 -4.974 1.00 0.00 C ATOM 403 CD1 TYR A 28 -2.510 7.564 -4.874 1.00 0.00 C ATOM 404 CD2 TYR A 28 -4.416 8.988 -4.976 1.00 0.00 C ATOM 405 CE1 TYR A 28 -1.681 8.664 -4.777 1.00 0.00 C ATOM 406 CE2 TYR A 28 -3.594 10.097 -4.885 1.00 0.00 C ATOM 407 CZ TYR A 28 -2.228 9.929 -4.785 1.00 0.00 C ATOM 408 OH TYR A 28 -1.407 11.031 -4.692 1.00 0.00 O ATOM 0 H TYR A 28 -4.998 7.034 -1.978 1.00 0.00 H new ATOM 0 HA TYR A 28 -6.351 7.117 -3.721 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -4.165 5.598 -5.201 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -5.427 6.572 -5.929 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -2.078 6.574 -4.872 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -5.485 9.123 -5.050 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -0.612 8.534 -4.695 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -4.019 11.090 -4.892 1.00 0.00 H new ATOM 0 HH TYR A 28 -1.950 11.846 -4.713 1.00 0.00 H new ATOM 418 N LEU A 29 -6.858 4.429 -2.805 1.00 0.00 N ATOM 419 CA LEU A 29 -7.727 3.259 -2.797 1.00 0.00 C ATOM 420 C LEU A 29 -9.113 3.645 -3.285 1.00 0.00 C ATOM 421 O LEU A 29 -9.571 4.767 -3.043 1.00 0.00 O ATOM 422 CB LEU A 29 -7.831 2.665 -1.389 1.00 0.00 C ATOM 423 CG LEU A 29 -6.528 2.123 -0.806 1.00 0.00 C ATOM 424 CD1 LEU A 29 -6.801 1.316 0.451 1.00 0.00 C ATOM 425 CD2 LEU A 29 -5.797 1.280 -1.833 1.00 0.00 C ATOM 0 H LEU A 29 -6.571 4.749 -1.880 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.297 2.509 -3.461 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.218 3.432 -0.718 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.564 1.858 -1.407 1.00 0.00 H new ATOM 0 HG LEU A 29 -5.893 2.967 -0.539 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.861 0.938 0.852 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.283 1.952 1.194 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.456 0.478 0.211 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.871 0.902 -1.401 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.427 0.442 -2.131 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.567 1.890 -2.707 1.00 0.00 H new ATOM 437 N PRO A 30 -9.802 2.731 -3.987 1.00 0.00 N ATOM 438 CA PRO A 30 -11.160 2.983 -4.456 1.00 0.00 C ATOM 439 C PRO A 30 -12.075 3.339 -3.290 1.00 0.00 C ATOM 440 O PRO A 30 -12.001 2.717 -2.224 1.00 0.00 O ATOM 441 CB PRO A 30 -11.598 1.659 -5.073 1.00 0.00 C ATOM 442 CG PRO A 30 -10.341 0.909 -5.353 1.00 0.00 C ATOM 443 CD PRO A 30 -9.316 1.391 -4.366 1.00 0.00 C ATOM 0 HA PRO A 30 -11.205 3.815 -5.159 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -12.242 1.103 -4.391 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -12.168 1.823 -5.987 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.501 -0.164 -5.251 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -10.006 1.085 -6.375 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -9.249 0.730 -3.502 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.322 1.436 -4.810 1.00 0.00 H new ATOM 451 N GLN A 31 -12.944 4.315 -3.496 1.00 0.00 N ATOM 452 CA GLN A 31 -13.754 4.862 -2.410 1.00 0.00 C ATOM 453 C GLN A 31 -14.800 3.866 -1.913 1.00 0.00 C ATOM 454 O GLN A 31 -15.399 4.063 -0.857 1.00 0.00 O ATOM 455 CB GLN A 31 -14.428 6.156 -2.859 1.00 0.00 C ATOM 456 CG GLN A 31 -13.438 7.248 -3.228 1.00 0.00 C ATOM 457 CD GLN A 31 -12.589 7.689 -2.052 1.00 0.00 C ATOM 458 OE1 GLN A 31 -11.448 7.044 -1.870 1.00 0.00 O flip ATOM 459 NE2 GLN A 31 -12.950 8.607 -1.318 1.00 0.00 N flip ATOM 0 H GLN A 31 -13.110 4.748 -4.405 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.084 5.071 -1.576 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -15.066 5.947 -3.718 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -15.076 6.517 -2.061 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -12.788 6.889 -4.026 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -13.981 8.107 -3.622 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -13.837 9.080 -1.491 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.362 8.896 -0.536 1.00 0.00 H new ATOM 468 N ASN A 32 -15.014 2.795 -2.664 1.00 0.00 N ATOM 469 CA ASN A 32 -16.000 1.792 -2.290 1.00 0.00 C ATOM 470 C ASN A 32 -15.343 0.447 -1.987 1.00 0.00 C ATOM 471 O ASN A 32 -16.028 -0.563 -1.824 1.00 0.00 O ATOM 472 CB ASN A 32 -17.027 1.613 -3.411 1.00 0.00 C ATOM 473 CG ASN A 32 -16.432 0.987 -4.661 1.00 0.00 C ATOM 474 OD1 ASN A 32 -16.405 -0.235 -4.807 1.00 0.00 O ATOM 475 ND2 ASN A 32 -15.957 1.818 -5.573 1.00 0.00 N ATOM 0 H ASN A 32 -14.519 2.599 -3.534 1.00 0.00 H new ATOM 0 HA ASN A 32 -16.499 2.144 -1.387 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -17.845 0.989 -3.052 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -17.454 2.583 -3.664 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -15.550 1.452 -6.434 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -15.997 2.825 -5.416 1.00 0.00 H new ATOM 482 N MET A 33 -14.017 0.427 -1.916 1.00 0.00 N ATOM 483 CA MET A 33 -13.297 -0.820 -1.716 1.00 0.00 C ATOM 484 C MET A 33 -13.267 -1.230 -0.242 1.00 0.00 C ATOM 485 O MET A 33 -13.613 -0.442 0.636 1.00 0.00 O ATOM 486 CB MET A 33 -11.884 -0.691 -2.259 1.00 0.00 C ATOM 487 CG MET A 33 -11.194 -2.021 -2.385 1.00 0.00 C ATOM 488 SD MET A 33 -9.656 -1.931 -3.294 1.00 0.00 S ATOM 489 CE MET A 33 -8.639 -1.255 -2.005 1.00 0.00 C ATOM 0 H MET A 33 -13.425 1.254 -1.993 1.00 0.00 H new ATOM 0 HA MET A 33 -13.825 -1.604 -2.260 1.00 0.00 H new ATOM 0 HB2 MET A 33 -11.916 -0.207 -3.235 1.00 0.00 H new ATOM 0 HB3 MET A 33 -11.303 -0.044 -1.602 1.00 0.00 H new ATOM 0 HG2 MET A 33 -10.998 -2.417 -1.389 1.00 0.00 H new ATOM 0 HG3 MET A 33 -11.862 -2.724 -2.882 1.00 0.00 H new ATOM 0 HE1 MET A 33 -7.623 -1.637 -2.105 1.00 0.00 H new ATOM 0 HE2 MET A 33 -8.627 -0.168 -2.084 1.00 0.00 H new ATOM 0 HE3 MET A 33 -9.042 -1.544 -1.034 1.00 0.00 H new ATOM 499 N THR A 34 -12.858 -2.472 0.009 1.00 0.00 N ATOM 500 CA THR A 34 -12.813 -3.023 1.351 1.00 0.00 C ATOM 501 C THR A 34 -11.384 -3.387 1.735 1.00 0.00 C ATOM 502 O THR A 34 -10.497 -3.393 0.874 1.00 0.00 O ATOM 503 CB THR A 34 -13.689 -4.291 1.451 1.00 0.00 C ATOM 504 OG1 THR A 34 -13.051 -5.384 0.781 1.00 0.00 O ATOM 505 CG2 THR A 34 -15.047 -4.053 0.815 1.00 0.00 C ATOM 0 H THR A 34 -12.550 -3.120 -0.716 1.00 0.00 H new ATOM 0 HA THR A 34 -13.193 -2.261 2.032 1.00 0.00 H new ATOM 0 HB THR A 34 -13.820 -4.529 2.507 1.00 0.00 H new ATOM 0 HG1 THR A 34 -13.613 -6.184 0.851 1.00 0.00 H new ATOM 0 HG21 THR A 34 -15.650 -4.958 0.895 1.00 0.00 H new ATOM 0 HG22 THR A 34 -15.551 -3.234 1.329 1.00 0.00 H new ATOM 0 HG23 THR A 34 -14.916 -3.796 -0.236 1.00 0.00 H new ATOM 513 N GLN A 35 -11.156 -3.675 3.014 1.00 0.00 N ATOM 514 CA GLN A 35 -9.864 -4.190 3.453 1.00 0.00 C ATOM 515 C GLN A 35 -9.519 -5.422 2.657 1.00 0.00 C ATOM 516 O GLN A 35 -8.423 -5.544 2.139 1.00 0.00 O ATOM 517 CB GLN A 35 -9.857 -4.584 4.931 1.00 0.00 C ATOM 518 CG GLN A 35 -10.149 -3.458 5.903 1.00 0.00 C ATOM 519 CD GLN A 35 -11.605 -3.023 5.921 1.00 0.00 C ATOM 520 OE1 GLN A 35 -12.514 -3.952 5.675 1.00 0.00 O flip ATOM 521 NE2 GLN A 35 -11.910 -1.860 6.162 1.00 0.00 N flip ATOM 0 H GLN A 35 -11.844 -3.561 3.759 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.140 -3.389 3.301 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -10.593 -5.373 5.083 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.882 -5.007 5.173 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -9.862 -3.773 6.906 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.527 -2.600 5.648 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -11.182 -1.170 6.347 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -12.892 -1.583 6.177 1.00 0.00 H new ATOM 530 N ASP A 36 -10.488 -6.313 2.549 1.00 0.00 N ATOM 531 CA ASP A 36 -10.290 -7.611 1.925 1.00 0.00 C ATOM 532 C ASP A 36 -9.841 -7.466 0.477 1.00 0.00 C ATOM 533 O ASP A 36 -9.069 -8.278 -0.016 1.00 0.00 O ATOM 534 CB ASP A 36 -11.588 -8.413 1.992 1.00 0.00 C ATOM 535 CG ASP A 36 -11.426 -9.828 1.469 1.00 0.00 C ATOM 536 OD1 ASP A 36 -11.986 -10.139 0.398 1.00 0.00 O ATOM 537 OD2 ASP A 36 -10.731 -10.636 2.117 1.00 0.00 O1- ATOM 0 H ASP A 36 -11.436 -6.158 2.892 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.505 -8.137 2.468 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.936 -8.449 3.024 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.357 -7.901 1.414 1.00 0.00 H new ATOM 542 N GLU A 37 -10.310 -6.423 -0.196 1.00 0.00 N ATOM 543 CA GLU A 37 -9.929 -6.185 -1.582 1.00 0.00 C ATOM 544 C GLU A 37 -8.513 -5.651 -1.655 1.00 0.00 C ATOM 545 O GLU A 37 -7.717 -6.097 -2.482 1.00 0.00 O ATOM 546 CB GLU A 37 -10.879 -5.195 -2.243 1.00 0.00 C ATOM 547 CG GLU A 37 -12.338 -5.622 -2.208 1.00 0.00 C ATOM 548 CD GLU A 37 -12.603 -6.831 -3.080 1.00 0.00 C ATOM 549 OE1 GLU A 37 -12.365 -6.754 -4.304 1.00 0.00 O ATOM 550 OE2 GLU A 37 -13.052 -7.867 -2.549 1.00 0.00 O1- ATOM 0 H GLU A 37 -10.951 -5.732 0.193 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.985 -7.135 -2.113 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.782 -4.228 -1.749 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.577 -5.054 -3.281 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.624 -5.848 -1.181 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.965 -4.794 -2.538 1.00 0.00 H new ATOM 557 N LEU A 38 -8.208 -4.688 -0.799 1.00 0.00 N ATOM 558 CA LEU A 38 -6.852 -4.212 -0.661 1.00 0.00 C ATOM 559 C LEU A 38 -5.940 -5.380 -0.321 1.00 0.00 C ATOM 560 O LEU A 38 -4.981 -5.690 -1.026 1.00 0.00 O ATOM 561 CB LEU A 38 -6.765 -3.187 0.462 1.00 0.00 C ATOM 562 CG LEU A 38 -5.339 -2.831 0.823 1.00 0.00 C ATOM 563 CD1 LEU A 38 -4.854 -1.746 -0.097 1.00 0.00 C ATOM 564 CD2 LEU A 38 -5.224 -2.435 2.272 1.00 0.00 C ATOM 0 H LEU A 38 -8.885 -4.225 -0.193 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.546 -3.751 -1.600 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.296 -2.283 0.164 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.271 -3.578 1.344 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.704 -3.707 0.693 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.827 -1.485 0.158 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.894 -2.098 -1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.489 -0.867 0.011 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.188 -2.185 2.500 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.857 -1.568 2.464 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.544 -3.265 2.902 1.00 0.00 H new ATOM 576 N ARG A 39 -6.297 -6.020 0.771 1.00 0.00 N ATOM 577 CA ARG A 39 -5.565 -7.125 1.342 1.00 0.00 C ATOM 578 C ARG A 39 -5.332 -8.236 0.313 1.00 0.00 C ATOM 579 O ARG A 39 -4.219 -8.735 0.206 1.00 0.00 O ATOM 580 CB ARG A 39 -6.347 -7.641 2.560 1.00 0.00 C ATOM 581 CG ARG A 39 -5.541 -8.439 3.571 1.00 0.00 C ATOM 582 CD ARG A 39 -5.209 -9.825 3.066 1.00 0.00 C ATOM 583 NE ARG A 39 -4.587 -10.646 4.100 1.00 0.00 N ATOM 584 CZ ARG A 39 -4.581 -11.977 4.092 1.00 0.00 C ATOM 585 NH1 ARG A 39 -5.192 -12.646 3.119 1.00 0.00 N1+ ATOM 586 NH2 ARG A 39 -3.971 -12.638 5.067 1.00 0.00 N ATOM 0 H ARG A 39 -7.133 -5.776 1.302 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.577 -6.787 1.656 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.793 -6.787 3.071 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.168 -8.264 2.204 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.618 -7.906 3.800 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.103 -8.518 4.502 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.119 -10.311 2.715 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.538 -9.749 2.210 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.128 -10.170 4.877 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.669 -12.139 2.373 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.184 -13.666 3.118 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.509 -12.126 5.819 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.964 -13.658 5.065 1.00 0.00 H new ATOM 600 N SER A 40 -6.362 -8.608 -0.457 1.00 0.00 N ATOM 601 CA SER A 40 -6.233 -9.713 -1.410 1.00 0.00 C ATOM 602 C SER A 40 -5.302 -9.341 -2.560 1.00 0.00 C ATOM 603 O SER A 40 -4.549 -10.174 -3.060 1.00 0.00 O ATOM 604 CB SER A 40 -7.599 -10.123 -1.957 1.00 0.00 C ATOM 605 OG SER A 40 -8.292 -9.012 -2.497 1.00 0.00 O ATOM 0 H SER A 40 -7.281 -8.166 -0.439 1.00 0.00 H new ATOM 0 HA SER A 40 -5.802 -10.559 -0.875 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.471 -10.884 -2.727 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.192 -10.572 -1.160 1.00 0.00 H new ATOM 0 HG SER A 40 -8.690 -8.490 -1.770 1.00 0.00 H new ATOM 611 N LEU A 41 -5.361 -8.082 -2.961 1.00 0.00 N ATOM 612 CA LEU A 41 -4.506 -7.549 -4.004 1.00 0.00 C ATOM 613 C LEU A 41 -3.051 -7.598 -3.569 1.00 0.00 C ATOM 614 O LEU A 41 -2.169 -7.896 -4.363 1.00 0.00 O ATOM 615 CB LEU A 41 -4.970 -6.124 -4.304 1.00 0.00 C ATOM 616 CG LEU A 41 -4.365 -5.432 -5.522 1.00 0.00 C ATOM 617 CD1 LEU A 41 -3.178 -4.582 -5.119 1.00 0.00 C ATOM 618 CD2 LEU A 41 -3.966 -6.445 -6.588 1.00 0.00 C ATOM 0 H LEU A 41 -6.008 -7.398 -2.568 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.578 -8.147 -4.913 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.053 -6.141 -4.429 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.760 -5.510 -3.428 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.126 -4.779 -5.949 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.761 -4.097 -6.002 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.499 -3.823 -4.406 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.418 -5.213 -4.659 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.538 -5.923 -7.444 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.228 -7.134 -6.177 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.846 -7.004 -6.907 1.00 0.00 H new ATOM 630 N PHE A 42 -2.804 -7.336 -2.307 1.00 0.00 N ATOM 631 CA PHE A 42 -1.464 -7.453 -1.768 1.00 0.00 C ATOM 632 C PHE A 42 -1.133 -8.904 -1.457 1.00 0.00 C ATOM 633 O PHE A 42 0.025 -9.313 -1.460 1.00 0.00 O ATOM 634 CB PHE A 42 -1.305 -6.539 -0.559 1.00 0.00 C ATOM 635 CG PHE A 42 -1.182 -5.109 -0.989 1.00 0.00 C ATOM 636 CD1 PHE A 42 -2.307 -4.358 -1.294 1.00 0.00 C ATOM 637 CD2 PHE A 42 0.069 -4.533 -1.148 1.00 0.00 C ATOM 638 CE1 PHE A 42 -2.182 -3.068 -1.750 1.00 0.00 C ATOM 639 CE2 PHE A 42 0.191 -3.237 -1.593 1.00 0.00 C ATOM 640 CZ PHE A 42 -0.933 -2.512 -1.896 1.00 0.00 C ATOM 0 H PHE A 42 -3.510 -7.041 -1.633 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.743 -7.125 -2.517 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.163 -6.652 0.104 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.422 -6.830 0.010 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.289 -4.790 -1.172 1.00 0.00 H new ATOM 0 HD2 PHE A 42 0.955 -5.107 -0.921 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.063 -2.492 -1.993 1.00 0.00 H new ATOM 0 HE2 PHE A 42 1.169 -2.792 -1.703 1.00 0.00 H new ATOM 0 HZ PHE A 42 -0.836 -1.497 -2.252 1.00 0.00 H new ATOM 650 N SER A 43 -2.162 -9.700 -1.239 1.00 0.00 N ATOM 651 CA SER A 43 -2.001 -11.114 -1.096 1.00 0.00 C ATOM 652 C SER A 43 -1.648 -11.746 -2.449 1.00 0.00 C ATOM 653 O SER A 43 -1.256 -12.912 -2.523 1.00 0.00 O ATOM 654 CB SER A 43 -3.287 -11.684 -0.539 1.00 0.00 C ATOM 655 OG SER A 43 -3.536 -11.191 0.766 1.00 0.00 O ATOM 0 H SER A 43 -3.126 -9.375 -1.158 1.00 0.00 H new ATOM 0 HA SER A 43 -1.183 -11.337 -0.411 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.118 -11.425 -1.195 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.227 -12.772 -0.516 1.00 0.00 H new ATOM 0 HG SER A 43 -3.430 -10.217 0.773 1.00 0.00 H new ATOM 661 N SER A 44 -1.793 -10.964 -3.520 1.00 0.00 N ATOM 662 CA SER A 44 -1.406 -11.413 -4.848 1.00 0.00 C ATOM 663 C SER A 44 0.115 -11.409 -4.953 1.00 0.00 C ATOM 664 O SER A 44 0.712 -12.296 -5.567 1.00 0.00 O ATOM 665 CB SER A 44 -2.031 -10.523 -5.937 1.00 0.00 C ATOM 666 OG SER A 44 -1.226 -9.386 -6.206 1.00 0.00 O ATOM 0 H SER A 44 -2.175 -10.019 -3.489 1.00 0.00 H new ATOM 0 HA SER A 44 -1.777 -12.426 -5.004 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.161 -11.102 -6.851 1.00 0.00 H new ATOM 0 HB3 SER A 44 -3.023 -10.201 -5.620 1.00 0.00 H new ATOM 0 HG SER A 44 -1.282 -8.760 -5.454 1.00 0.00 H new ATOM 672 N ILE A 45 0.731 -10.400 -4.343 1.00 0.00 N ATOM 673 CA ILE A 45 2.186 -10.338 -4.234 1.00 0.00 C ATOM 674 C ILE A 45 2.699 -11.491 -3.386 1.00 0.00 C ATOM 675 O ILE A 45 3.655 -12.171 -3.750 1.00 0.00 O ATOM 676 CB ILE A 45 2.642 -8.983 -3.631 1.00 0.00 C ATOM 677 CG1 ILE A 45 2.459 -7.877 -4.663 1.00 0.00 C ATOM 678 CG2 ILE A 45 4.098 -9.029 -3.161 1.00 0.00 C ATOM 679 CD1 ILE A 45 3.536 -7.857 -5.708 1.00 0.00 C ATOM 0 H ILE A 45 0.244 -9.612 -3.916 1.00 0.00 H new ATOM 0 HA ILE A 45 2.606 -10.421 -5.236 1.00 0.00 H new ATOM 0 HB ILE A 45 2.023 -8.779 -2.757 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.492 -8.000 -5.150 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.439 -6.914 -4.153 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.377 -8.061 -2.746 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.209 -9.798 -2.396 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.746 -9.262 -4.006 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.346 -7.046 -6.411 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.504 -7.703 -5.230 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.542 -8.807 -6.243 1.00 0.00 H new ATOM 691 N GLY A 46 2.027 -11.738 -2.282 1.00 0.00 N ATOM 692 CA GLY A 46 2.450 -12.790 -1.391 1.00 0.00 C ATOM 693 C GLY A 46 1.586 -12.863 -0.161 1.00 0.00 C ATOM 694 O GLY A 46 0.381 -12.644 -0.230 1.00 0.00 O ATOM 0 H GLY A 46 1.195 -11.229 -1.984 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.417 -13.745 -1.915 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.486 -12.623 -1.098 1.00 0.00 H new ATOM 698 N GLU A 47 2.192 -13.187 0.958 1.00 0.00 N ATOM 699 CA GLU A 47 1.481 -13.213 2.214 1.00 0.00 C ATOM 700 C GLU A 47 1.541 -11.853 2.887 1.00 0.00 C ATOM 701 O GLU A 47 2.558 -11.159 2.870 1.00 0.00 O ATOM 702 CB GLU A 47 2.042 -14.291 3.108 1.00 0.00 C ATOM 703 CG GLU A 47 3.485 -14.091 3.357 1.00 0.00 C ATOM 704 CD GLU A 47 4.146 -15.279 4.020 1.00 0.00 C ATOM 705 OE1 GLU A 47 4.764 -16.093 3.302 1.00 0.00 O ATOM 706 OE2 GLU A 47 4.052 -15.406 5.259 1.00 0.00 O1- ATOM 0 H GLU A 47 3.179 -13.437 1.023 1.00 0.00 H new ATOM 0 HA GLU A 47 0.433 -13.444 2.022 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.505 -14.295 4.057 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.883 -15.266 2.648 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.985 -13.887 2.410 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.620 -13.211 3.986 1.00 0.00 H new ATOM 713 N VAL A 48 0.437 -11.511 3.490 1.00 0.00 N ATOM 714 CA VAL A 48 0.226 -10.198 4.078 1.00 0.00 C ATOM 715 C VAL A 48 -0.002 -10.334 5.559 1.00 0.00 C ATOM 716 O VAL A 48 -0.879 -11.061 6.020 1.00 0.00 O ATOM 717 CB VAL A 48 -0.965 -9.462 3.413 1.00 0.00 C ATOM 718 CG1 VAL A 48 -1.376 -8.238 4.221 1.00 0.00 C ATOM 719 CG2 VAL A 48 -0.615 -9.064 1.987 1.00 0.00 C ATOM 0 H VAL A 48 -0.360 -12.139 3.594 1.00 0.00 H new ATOM 0 HA VAL A 48 1.120 -9.600 3.904 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.812 -10.148 3.387 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.213 -7.742 3.730 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.674 -8.547 5.223 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.535 -7.548 4.289 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -1.462 -8.548 1.535 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.250 -8.401 1.996 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.382 -9.957 1.407 1.00 0.00 H new ATOM 729 N GLU A 49 0.833 -9.627 6.291 1.00 0.00 N ATOM 730 CA GLU A 49 0.822 -9.662 7.719 1.00 0.00 C ATOM 731 C GLU A 49 -0.479 -9.070 8.241 1.00 0.00 C ATOM 732 O GLU A 49 -1.172 -9.683 9.049 1.00 0.00 O ATOM 733 CB GLU A 49 2.021 -8.908 8.231 1.00 0.00 C ATOM 734 CG GLU A 49 2.351 -9.219 9.669 1.00 0.00 C ATOM 735 CD GLU A 49 1.473 -8.499 10.674 1.00 0.00 C ATOM 736 OE1 GLU A 49 1.297 -7.272 10.549 1.00 0.00 O ATOM 737 OE2 GLU A 49 0.966 -9.159 11.604 1.00 0.00 O1- ATOM 0 H GLU A 49 1.542 -9.009 5.897 1.00 0.00 H new ATOM 0 HA GLU A 49 0.880 -10.691 8.075 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.884 -9.145 7.608 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.839 -7.838 8.130 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.260 -10.294 9.827 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.392 -8.956 9.857 1.00 0.00 H new ATOM 744 N SER A 50 -0.817 -7.887 7.744 1.00 0.00 N ATOM 745 CA SER A 50 -2.055 -7.221 8.136 1.00 0.00 C ATOM 746 C SER A 50 -2.373 -6.066 7.195 1.00 0.00 C ATOM 747 O SER A 50 -1.520 -5.228 6.931 1.00 0.00 O ATOM 748 CB SER A 50 -1.949 -6.717 9.579 1.00 0.00 C ATOM 749 OG SER A 50 -0.791 -5.918 9.759 1.00 0.00 O ATOM 0 H SER A 50 -0.253 -7.369 7.070 1.00 0.00 H new ATOM 0 HA SER A 50 -2.868 -7.944 8.072 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.837 -6.137 9.831 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.918 -7.566 10.262 1.00 0.00 H new ATOM 0 HG SER A 50 -0.051 -6.480 10.071 1.00 0.00 H new ATOM 755 N ALA A 51 -3.595 -6.022 6.685 1.00 0.00 N ATOM 756 CA ALA A 51 -3.981 -4.961 5.767 1.00 0.00 C ATOM 757 C ALA A 51 -5.195 -4.206 6.272 1.00 0.00 C ATOM 758 O ALA A 51 -6.250 -4.795 6.521 1.00 0.00 O ATOM 759 CB ALA A 51 -4.238 -5.506 4.371 1.00 0.00 C ATOM 0 H ALA A 51 -4.329 -6.700 6.888 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.146 -4.262 5.713 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.524 -4.689 3.709 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.332 -5.979 3.993 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -5.042 -6.241 4.410 1.00 0.00 H new ATOM 765 N LYS A 52 -5.038 -2.899 6.421 1.00 0.00 N ATOM 766 CA LYS A 52 -6.127 -2.052 6.870 1.00 0.00 C ATOM 767 C LYS A 52 -6.624 -1.168 5.748 1.00 0.00 C ATOM 768 O LYS A 52 -5.848 -0.686 4.923 1.00 0.00 O ATOM 769 CB LYS A 52 -5.720 -1.165 8.054 1.00 0.00 C ATOM 770 CG LYS A 52 -4.420 -0.421 7.881 1.00 0.00 C ATOM 771 CD LYS A 52 -4.162 0.538 9.035 1.00 0.00 C ATOM 772 CE LYS A 52 -4.050 -0.192 10.350 1.00 0.00 C ATOM 773 NZ LYS A 52 -3.519 0.679 11.430 1.00 0.00 N1+ ATOM 0 H LYS A 52 -4.165 -2.404 6.237 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.923 -2.722 7.194 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.514 -0.440 8.234 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.648 -1.787 8.946 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.599 -1.135 7.810 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.441 0.135 6.944 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.244 1.094 8.848 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.971 1.267 9.091 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.031 -0.570 10.639 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.398 -1.057 10.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.459 0.137 12.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.572 1.019 11.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.154 1.492 11.564 1.00 0.00 H new ATOM 787 N LEU A 53 -7.923 -0.959 5.735 1.00 0.00 N ATOM 788 CA LEU A 53 -8.552 -0.030 4.829 1.00 0.00 C ATOM 789 C LEU A 53 -9.102 1.106 5.657 1.00 0.00 C ATOM 790 O LEU A 53 -9.759 0.875 6.673 1.00 0.00 O ATOM 791 CB LEU A 53 -9.677 -0.707 4.054 1.00 0.00 C ATOM 792 CG LEU A 53 -10.486 0.209 3.149 1.00 0.00 C ATOM 793 CD1 LEU A 53 -10.037 0.064 1.707 1.00 0.00 C ATOM 794 CD2 LEU A 53 -11.966 -0.090 3.283 1.00 0.00 C ATOM 0 H LEU A 53 -8.575 -1.434 6.359 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.827 0.335 4.102 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.249 -1.505 3.447 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.355 -1.178 4.766 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.315 1.241 3.457 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -10.627 0.727 1.074 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.983 0.328 1.626 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.179 -0.967 1.384 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -12.532 0.574 2.629 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -12.155 -1.126 3.000 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -12.277 0.067 4.316 1.00 0.00 H new ATOM 806 N ILE A 54 -8.832 2.320 5.254 1.00 0.00 N ATOM 807 CA ILE A 54 -9.202 3.454 6.074 1.00 0.00 C ATOM 808 C ILE A 54 -10.490 4.067 5.577 1.00 0.00 C ATOM 809 O ILE A 54 -10.587 4.484 4.425 1.00 0.00 O ATOM 810 CB ILE A 54 -8.105 4.527 6.102 1.00 0.00 C ATOM 811 CG1 ILE A 54 -6.761 3.920 6.535 1.00 0.00 C ATOM 812 CG2 ILE A 54 -8.500 5.674 7.025 1.00 0.00 C ATOM 813 CD1 ILE A 54 -6.808 3.150 7.845 1.00 0.00 C ATOM 0 H ILE A 54 -8.365 2.552 4.378 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.338 3.082 7.089 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.990 4.924 5.093 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.408 3.253 5.749 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.028 4.721 6.626 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.710 6.425 7.031 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.426 6.125 6.669 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.647 5.293 8.036 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.817 2.757 8.072 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.127 3.816 8.647 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.514 2.324 7.756 1.00 0.00 H new ATOM 825 N ARG A 55 -11.479 4.096 6.445 1.00 0.00 N ATOM 826 CA ARG A 55 -12.755 4.701 6.129 1.00 0.00 C ATOM 827 C ARG A 55 -13.175 5.602 7.260 1.00 0.00 C ATOM 828 O ARG A 55 -12.535 5.620 8.312 1.00 0.00 O ATOM 829 CB ARG A 55 -13.862 3.672 5.917 1.00 0.00 C ATOM 830 CG ARG A 55 -13.411 2.380 5.262 1.00 0.00 C ATOM 831 CD ARG A 55 -14.580 1.647 4.623 1.00 0.00 C ATOM 832 NE ARG A 55 -15.656 1.357 5.572 1.00 0.00 N ATOM 833 CZ ARG A 55 -16.905 1.066 5.207 1.00 0.00 C ATOM 834 NH1 ARG A 55 -17.234 1.045 3.923 1.00 0.00 N1+ ATOM 835 NH2 ARG A 55 -17.823 0.799 6.123 1.00 0.00 N ATOM 0 H ARG A 55 -11.422 3.703 7.385 1.00 0.00 H new ATOM 0 HA ARG A 55 -12.618 5.254 5.200 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -14.310 3.437 6.882 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -14.644 4.121 5.304 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.658 2.597 4.505 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -12.939 1.738 6.006 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.976 2.248 3.805 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.223 0.713 4.189 1.00 0.00 H new ATOM 0 HE ARG A 55 -15.438 1.379 6.568 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -16.531 1.252 3.213 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -18.190 0.822 3.645 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -17.576 0.815 7.113 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -18.777 0.577 5.839 1.00 0.00 H new ATOM 849 N ASP A 56 -14.240 6.354 7.054 1.00 0.00 N ATOM 850 CA ASP A 56 -14.857 7.050 8.169 1.00 0.00 C ATOM 851 C ASP A 56 -15.469 5.990 9.088 1.00 0.00 C ATOM 852 O ASP A 56 -15.460 4.807 8.737 1.00 0.00 O ATOM 853 CB ASP A 56 -15.927 8.030 7.683 1.00 0.00 C ATOM 854 CG ASP A 56 -16.655 8.757 8.789 1.00 0.00 C ATOM 855 OD1 ASP A 56 -17.897 8.652 8.841 1.00 0.00 O ATOM 856 OD2 ASP A 56 -15.999 9.424 9.613 1.00 0.00 O1- ATOM 0 H ASP A 56 -14.688 6.497 6.149 1.00 0.00 H new ATOM 0 HA ASP A 56 -14.112 7.637 8.705 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -15.459 8.765 7.028 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -16.655 7.485 7.082 1.00 0.00 H new ATOM 861 N LYS A 57 -16.006 6.356 10.239 1.00 0.00 N ATOM 862 CA LYS A 57 -16.587 5.366 11.103 1.00 0.00 C ATOM 863 C LYS A 57 -17.800 4.742 10.416 1.00 0.00 C ATOM 864 O LYS A 57 -18.090 3.559 10.593 1.00 0.00 O ATOM 865 CB LYS A 57 -16.947 5.986 12.458 1.00 0.00 C ATOM 866 CG LYS A 57 -18.314 6.640 12.527 1.00 0.00 C ATOM 867 CD LYS A 57 -18.394 7.920 11.718 1.00 0.00 C ATOM 868 CE LYS A 57 -17.661 9.058 12.411 1.00 0.00 C ATOM 869 NZ LYS A 57 -17.677 10.303 11.607 1.00 0.00 N1+ ATOM 0 H LYS A 57 -16.048 7.315 10.585 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.864 4.573 11.297 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.895 5.209 13.220 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -16.192 6.731 12.710 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -19.066 5.939 12.165 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -18.556 6.857 13.567 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -17.964 7.756 10.730 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -19.438 8.194 11.569 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -18.121 9.247 13.381 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -16.629 8.762 12.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -17.384 11.104 12.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -17.020 10.208 10.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -18.638 10.472 11.248 1.00 0.00 H new ATOM 883 N VAL A 58 -18.465 5.539 9.575 1.00 0.00 N ATOM 884 CA VAL A 58 -19.700 5.128 8.924 1.00 0.00 C ATOM 885 C VAL A 58 -19.843 5.738 7.530 1.00 0.00 C ATOM 886 O VAL A 58 -19.772 5.038 6.519 1.00 0.00 O ATOM 887 CB VAL A 58 -20.906 5.563 9.779 1.00 0.00 C ATOM 888 CG1 VAL A 58 -22.216 5.326 9.056 1.00 0.00 C ATOM 889 CG2 VAL A 58 -20.890 4.840 11.104 1.00 0.00 C ATOM 0 H VAL A 58 -18.160 6.481 9.331 1.00 0.00 H new ATOM 0 HA VAL A 58 -19.669 4.043 8.823 1.00 0.00 H new ATOM 0 HB VAL A 58 -20.822 6.635 9.959 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -23.044 5.645 9.689 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -22.228 5.898 8.128 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -22.320 4.265 8.830 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -21.746 5.155 11.701 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -20.943 3.765 10.932 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -19.969 5.078 11.637 1.00 0.00 H new ATOM 899 N ALA A 59 -20.018 7.050 7.501 1.00 0.00 N ATOM 900 CA ALA A 59 -20.450 7.767 6.304 1.00 0.00 C ATOM 901 C ALA A 59 -19.378 7.852 5.242 1.00 0.00 C ATOM 902 O ALA A 59 -19.594 7.530 4.076 1.00 0.00 O ATOM 903 CB ALA A 59 -20.873 9.168 6.689 1.00 0.00 C ATOM 0 H ALA A 59 -19.865 7.653 8.309 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.281 7.204 5.879 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -21.196 9.708 5.799 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -21.696 9.117 7.402 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -20.031 9.690 7.144 1.00 0.00 H new ATOM 909 N GLY A 60 -18.234 8.292 5.688 1.00 0.00 N ATOM 910 CA GLY A 60 -17.122 8.640 4.819 1.00 0.00 C ATOM 911 C GLY A 60 -16.640 7.545 3.903 1.00 0.00 C ATOM 912 O GLY A 60 -15.856 7.833 3.009 1.00 0.00 O ATOM 0 H GLY A 60 -18.036 8.424 6.680 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -17.415 9.495 4.210 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -16.287 8.962 5.440 1.00 0.00 H new ATOM 916 N HIS A 61 -17.088 6.306 4.131 1.00 0.00 N ATOM 917 CA HIS A 61 -16.590 5.119 3.410 1.00 0.00 C ATOM 918 C HIS A 61 -15.071 5.131 3.279 1.00 0.00 C ATOM 919 O HIS A 61 -14.397 5.840 4.020 1.00 0.00 O ATOM 920 CB HIS A 61 -17.259 4.937 2.038 1.00 0.00 C ATOM 921 CG HIS A 61 -17.122 6.065 1.049 1.00 0.00 C ATOM 922 ND1 HIS A 61 -16.027 6.680 0.549 1.00 0.00 N flip ATOM 923 CD2 HIS A 61 -18.201 6.648 0.421 1.00 0.00 C flip ATOM 924 CE1 HIS A 61 -16.459 7.608 -0.366 1.00 0.00 C flip ATOM 925 NE2 HIS A 61 -17.775 7.568 -0.422 1.00 0.00 N flip ATOM 0 H HIS A 61 -17.808 6.092 4.821 1.00 0.00 H new ATOM 0 HA HIS A 61 -16.867 4.258 4.018 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -16.851 4.036 1.581 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -18.322 4.759 2.202 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -15.058 6.490 0.804 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -19.236 6.391 0.593 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -15.825 8.263 -0.945 1.00 0.00 H new ATOM 934 N SER A 62 -14.528 4.304 2.387 1.00 0.00 N ATOM 935 CA SER A 62 -13.091 4.300 2.148 1.00 0.00 C ATOM 936 C SER A 62 -12.606 5.718 1.887 1.00 0.00 C ATOM 937 O SER A 62 -13.045 6.380 0.945 1.00 0.00 O ATOM 938 CB SER A 62 -12.732 3.399 0.963 1.00 0.00 C ATOM 939 OG SER A 62 -11.329 3.320 0.778 1.00 0.00 O ATOM 0 H SER A 62 -15.056 3.636 1.825 1.00 0.00 H new ATOM 0 HA SER A 62 -12.598 3.906 3.037 1.00 0.00 H new ATOM 0 HB2 SER A 62 -13.135 2.400 1.129 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.199 3.785 0.057 1.00 0.00 H new ATOM 0 HG SER A 62 -11.134 3.118 -0.161 1.00 0.00 H new ATOM 945 N LEU A 63 -11.709 6.184 2.737 1.00 0.00 N ATOM 946 CA LEU A 63 -11.229 7.547 2.655 1.00 0.00 C ATOM 947 C LEU A 63 -10.132 7.662 1.606 1.00 0.00 C ATOM 948 O LEU A 63 -9.605 8.743 1.349 1.00 0.00 O ATOM 949 CB LEU A 63 -10.744 8.025 4.025 1.00 0.00 C ATOM 950 CG LEU A 63 -11.823 8.064 5.124 1.00 0.00 C ATOM 951 CD1 LEU A 63 -11.363 8.926 6.284 1.00 0.00 C ATOM 952 CD2 LEU A 63 -13.160 8.560 4.573 1.00 0.00 C ATOM 0 H LEU A 63 -11.299 5.635 3.493 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.052 8.192 2.348 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.935 7.373 4.355 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.323 9.024 3.916 1.00 0.00 H new ATOM 0 HG LEU A 63 -11.974 7.047 5.486 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -12.136 8.944 7.053 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.445 8.514 6.702 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.178 9.941 5.932 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -13.900 8.576 5.373 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -13.038 9.566 4.172 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -13.497 7.892 3.780 1.00 0.00 H new ATOM 964 N GLY A 64 -9.802 6.534 0.993 1.00 0.00 N ATOM 965 CA GLY A 64 -8.921 6.541 -0.152 1.00 0.00 C ATOM 966 C GLY A 64 -7.490 6.178 0.173 1.00 0.00 C ATOM 967 O GLY A 64 -6.580 6.548 -0.563 1.00 0.00 O ATOM 0 H GLY A 64 -10.132 5.610 1.272 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.303 5.842 -0.896 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -8.940 7.532 -0.606 1.00 0.00 H new ATOM 971 N TYR A 65 -7.278 5.459 1.264 1.00 0.00 N ATOM 972 CA TYR A 65 -5.944 4.977 1.598 1.00 0.00 C ATOM 973 C TYR A 65 -6.014 3.867 2.640 1.00 0.00 C ATOM 974 O TYR A 65 -7.055 3.655 3.263 1.00 0.00 O ATOM 975 CB TYR A 65 -5.036 6.125 2.074 1.00 0.00 C ATOM 976 CG TYR A 65 -5.410 6.747 3.392 1.00 0.00 C ATOM 977 CD1 TYR A 65 -6.536 7.545 3.523 1.00 0.00 C ATOM 978 CD2 TYR A 65 -4.604 6.556 4.501 1.00 0.00 C ATOM 979 CE1 TYR A 65 -6.849 8.134 4.727 1.00 0.00 C ATOM 980 CE2 TYR A 65 -4.912 7.137 5.710 1.00 0.00 C ATOM 981 CZ TYR A 65 -6.037 7.928 5.820 1.00 0.00 C ATOM 982 OH TYR A 65 -6.347 8.517 7.025 1.00 0.00 O ATOM 0 H TYR A 65 -8.005 5.197 1.930 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.503 4.563 0.691 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -4.015 5.750 2.146 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.036 6.904 1.312 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -7.176 7.707 2.669 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -3.720 5.942 4.416 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -7.728 8.755 4.814 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -4.276 6.975 6.568 1.00 0.00 H new ATOM 0 HH TYR A 65 -5.674 8.270 7.693 1.00 0.00 H new ATOM 992 N GLY A 66 -4.909 3.154 2.803 1.00 0.00 N ATOM 993 CA GLY A 66 -4.859 2.038 3.725 1.00 0.00 C ATOM 994 C GLY A 66 -3.440 1.612 4.013 1.00 0.00 C ATOM 995 O GLY A 66 -2.498 2.200 3.481 1.00 0.00 O ATOM 0 H GLY A 66 -4.036 3.332 2.306 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -5.352 2.314 4.657 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.413 1.197 3.308 1.00 0.00 H new ATOM 999 N PHE A 67 -3.277 0.598 4.850 1.00 0.00 N ATOM 1000 CA PHE A 67 -1.949 0.162 5.270 1.00 0.00 C ATOM 1001 C PHE A 67 -1.868 -1.357 5.310 1.00 0.00 C ATOM 1002 O PHE A 67 -2.495 -1.993 6.152 1.00 0.00 O ATOM 1003 CB PHE A 67 -1.613 0.712 6.662 1.00 0.00 C ATOM 1004 CG PHE A 67 -1.646 2.213 6.766 1.00 0.00 C ATOM 1005 CD1 PHE A 67 -0.510 2.965 6.522 1.00 0.00 C ATOM 1006 CD2 PHE A 67 -2.817 2.866 7.116 1.00 0.00 C ATOM 1007 CE1 PHE A 67 -0.544 4.344 6.623 1.00 0.00 C ATOM 1008 CE2 PHE A 67 -2.855 4.243 7.218 1.00 0.00 C ATOM 1009 CZ PHE A 67 -1.717 4.983 6.970 1.00 0.00 C ATOM 0 H PHE A 67 -4.045 0.061 5.252 1.00 0.00 H new ATOM 0 HA PHE A 67 -1.232 0.545 4.544 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.317 0.295 7.383 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.621 0.363 6.947 1.00 0.00 H new ATOM 0 HD1 PHE A 67 0.411 2.471 6.250 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -3.710 2.292 7.311 1.00 0.00 H new ATOM 0 HE1 PHE A 67 0.348 4.921 6.430 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.774 4.740 7.491 1.00 0.00 H new ATOM 0 HZ PHE A 67 -1.744 6.060 7.047 1.00 0.00 H new ATOM 1019 N VAL A 68 -1.116 -1.940 4.399 1.00 0.00 N ATOM 1020 CA VAL A 68 -0.895 -3.369 4.418 1.00 0.00 C ATOM 1021 C VAL A 68 0.543 -3.689 4.790 1.00 0.00 C ATOM 1022 O VAL A 68 1.487 -3.388 4.065 1.00 0.00 O ATOM 1023 CB VAL A 68 -1.324 -4.045 3.091 1.00 0.00 C ATOM 1024 CG1 VAL A 68 -1.478 -3.011 2.006 1.00 0.00 C ATOM 1025 CG2 VAL A 68 -0.372 -5.157 2.648 1.00 0.00 C ATOM 0 H VAL A 68 -0.649 -1.447 3.638 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.535 -3.792 5.192 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.286 -4.522 3.276 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.780 -3.499 1.079 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.238 -2.287 2.299 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.528 -2.499 1.854 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.728 -5.590 1.713 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.626 -4.744 2.500 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.334 -5.931 3.415 1.00 0.00 H new ATOM 1035 N ASN A 69 0.683 -4.247 5.971 1.00 0.00 N ATOM 1036 CA ASN A 69 1.950 -4.721 6.468 1.00 0.00 C ATOM 1037 C ASN A 69 2.231 -6.082 5.870 1.00 0.00 C ATOM 1038 O ASN A 69 1.379 -6.970 5.924 1.00 0.00 O ATOM 1039 CB ASN A 69 1.895 -4.841 7.986 1.00 0.00 C ATOM 1040 CG ASN A 69 3.262 -5.013 8.611 1.00 0.00 C ATOM 1041 OD1 ASN A 69 4.244 -4.444 8.156 1.00 0.00 O ATOM 1042 ND2 ASN A 69 3.334 -5.822 9.647 1.00 0.00 N ATOM 0 H ASN A 69 -0.092 -4.385 6.620 1.00 0.00 H new ATOM 0 HA ASN A 69 2.737 -4.020 6.192 1.00 0.00 H new ATOM 0 HB2 ASN A 69 1.421 -3.951 8.399 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.268 -5.690 8.256 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.232 -5.993 10.099 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.492 -6.278 9.997 1.00 0.00 H new ATOM 1049 N TYR A 70 3.389 -6.247 5.274 1.00 0.00 N ATOM 1050 CA TYR A 70 3.777 -7.539 4.762 1.00 0.00 C ATOM 1051 C TYR A 70 4.577 -8.306 5.797 1.00 0.00 C ATOM 1052 O TYR A 70 5.021 -7.746 6.802 1.00 0.00 O ATOM 1053 CB TYR A 70 4.605 -7.401 3.490 1.00 0.00 C ATOM 1054 CG TYR A 70 3.802 -7.322 2.217 1.00 0.00 C ATOM 1055 CD1 TYR A 70 3.174 -8.450 1.711 1.00 0.00 C ATOM 1056 CD2 TYR A 70 3.692 -6.136 1.508 1.00 0.00 C ATOM 1057 CE1 TYR A 70 2.458 -8.400 0.534 1.00 0.00 C ATOM 1058 CE2 TYR A 70 2.974 -6.079 0.334 1.00 0.00 C ATOM 1059 CZ TYR A 70 2.360 -7.211 -0.147 1.00 0.00 C ATOM 1060 OH TYR A 70 1.657 -7.157 -1.323 1.00 0.00 O ATOM 0 H TYR A 70 4.076 -5.506 5.132 1.00 0.00 H new ATOM 0 HA TYR A 70 2.863 -8.086 4.531 1.00 0.00 H new ATOM 0 HB2 TYR A 70 5.221 -6.506 3.570 1.00 0.00 H new ATOM 0 HB3 TYR A 70 5.285 -8.251 3.422 1.00 0.00 H new ATOM 0 HD1 TYR A 70 3.247 -9.384 2.248 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.176 -5.245 1.881 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.978 -9.288 0.150 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.894 -5.148 -0.207 1.00 0.00 H new ATOM 0 HH TYR A 70 1.063 -7.934 -1.385 1.00 0.00 H new ATOM 1070 N VAL A 71 4.749 -9.591 5.544 1.00 0.00 N ATOM 1071 CA VAL A 71 5.582 -10.429 6.388 1.00 0.00 C ATOM 1072 C VAL A 71 7.053 -10.133 6.086 1.00 0.00 C ATOM 1073 O VAL A 71 7.940 -10.359 6.908 1.00 0.00 O ATOM 1074 CB VAL A 71 5.294 -11.926 6.147 1.00 0.00 C ATOM 1075 CG1 VAL A 71 3.796 -12.204 6.269 1.00 0.00 C ATOM 1076 CG2 VAL A 71 5.823 -12.366 4.792 1.00 0.00 C ATOM 0 H VAL A 71 4.321 -10.079 4.757 1.00 0.00 H new ATOM 0 HA VAL A 71 5.358 -10.206 7.431 1.00 0.00 H new ATOM 0 HB VAL A 71 5.812 -12.506 6.910 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.607 -13.264 6.097 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.456 -11.933 7.268 1.00 0.00 H new ATOM 0 HG13 VAL A 71 3.255 -11.614 5.529 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.609 -13.424 4.644 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.340 -11.785 4.007 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.900 -12.205 4.752 1.00 0.00 H new ATOM 1086 N THR A 72 7.276 -9.611 4.884 1.00 0.00 N ATOM 1087 CA THR A 72 8.600 -9.294 4.380 1.00 0.00 C ATOM 1088 C THR A 72 8.684 -7.832 3.978 1.00 0.00 C ATOM 1089 O THR A 72 7.679 -7.213 3.639 1.00 0.00 O ATOM 1090 CB THR A 72 8.903 -10.116 3.118 1.00 0.00 C ATOM 1091 OG1 THR A 72 7.718 -10.210 2.324 1.00 0.00 O ATOM 1092 CG2 THR A 72 9.424 -11.500 3.438 1.00 0.00 C ATOM 0 H THR A 72 6.528 -9.394 4.226 1.00 0.00 H new ATOM 0 HA THR A 72 9.310 -9.519 5.176 1.00 0.00 H new ATOM 0 HB THR A 72 9.690 -9.602 2.567 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.882 -10.803 1.561 1.00 0.00 H new ATOM 0 HG21 THR A 72 9.622 -12.038 2.511 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.346 -11.418 4.013 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.680 -12.043 4.021 1.00 0.00 H new ATOM 1100 N ALA A 73 9.885 -7.283 4.010 1.00 0.00 N ATOM 1101 CA ALA A 73 10.132 -5.992 3.394 1.00 0.00 C ATOM 1102 C ALA A 73 10.440 -6.218 1.920 1.00 0.00 C ATOM 1103 O ALA A 73 10.397 -5.300 1.100 1.00 0.00 O ATOM 1104 CB ALA A 73 11.270 -5.263 4.088 1.00 0.00 C ATOM 0 H ALA A 73 10.700 -7.708 4.453 1.00 0.00 H new ATOM 0 HA ALA A 73 9.249 -5.361 3.492 1.00 0.00 H new ATOM 0 HB1 ALA A 73 11.433 -4.299 3.605 1.00 0.00 H new ATOM 0 HB2 ALA A 73 11.016 -5.106 5.136 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.179 -5.860 4.021 1.00 0.00 H new ATOM 1110 N LYS A 74 10.733 -7.474 1.610 1.00 0.00 N ATOM 1111 CA LYS A 74 10.988 -7.927 0.252 1.00 0.00 C ATOM 1112 C LYS A 74 9.720 -7.850 -0.606 1.00 0.00 C ATOM 1113 O LYS A 74 9.703 -7.181 -1.638 1.00 0.00 O ATOM 1114 CB LYS A 74 11.543 -9.351 0.320 1.00 0.00 C ATOM 1115 CG LYS A 74 11.528 -10.081 -0.996 1.00 0.00 C ATOM 1116 CD LYS A 74 10.565 -11.246 -0.940 1.00 0.00 C ATOM 1117 CE LYS A 74 10.175 -11.677 -2.334 1.00 0.00 C ATOM 1118 NZ LYS A 74 9.186 -12.785 -2.316 1.00 0.00 N1+ ATOM 0 H LYS A 74 10.801 -8.216 2.306 1.00 0.00 H new ATOM 0 HA LYS A 74 11.720 -7.276 -0.227 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.568 -9.313 0.690 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.963 -9.921 1.046 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.237 -9.399 -1.795 1.00 0.00 H new ATOM 0 HG3 LYS A 74 12.530 -10.440 -1.232 1.00 0.00 H new ATOM 0 HD2 LYS A 74 11.025 -12.080 -0.410 1.00 0.00 H new ATOM 0 HD3 LYS A 74 9.675 -10.963 -0.378 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.757 -10.827 -2.873 1.00 0.00 H new ATOM 0 HE3 LYS A 74 11.065 -11.994 -2.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 9.407 -13.460 -3.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.226 -13.271 -1.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.231 -12.400 -2.463 1.00 0.00 H new ATOM 1132 N ASP A 75 8.653 -8.510 -0.167 1.00 0.00 N ATOM 1133 CA ASP A 75 7.385 -8.484 -0.893 1.00 0.00 C ATOM 1134 C ASP A 75 6.729 -7.111 -0.769 1.00 0.00 C ATOM 1135 O ASP A 75 5.824 -6.776 -1.527 1.00 0.00 O ATOM 1136 CB ASP A 75 6.447 -9.592 -0.404 1.00 0.00 C ATOM 1137 CG ASP A 75 6.971 -10.976 -0.741 1.00 0.00 C ATOM 1138 OD1 ASP A 75 6.854 -11.405 -1.911 1.00 0.00 O ATOM 1139 OD2 ASP A 75 7.525 -11.642 0.159 1.00 0.00 O1- ATOM 0 H ASP A 75 8.639 -9.069 0.686 1.00 0.00 H new ATOM 0 HA ASP A 75 7.590 -8.670 -1.947 1.00 0.00 H new ATOM 0 HB2 ASP A 75 6.318 -9.507 0.675 1.00 0.00 H new ATOM 0 HB3 ASP A 75 5.463 -9.458 -0.854 1.00 0.00 H new ATOM 1144 N ALA A 76 7.195 -6.322 0.191 1.00 0.00 N ATOM 1145 CA ALA A 76 6.771 -4.933 0.312 1.00 0.00 C ATOM 1146 C ALA A 76 7.218 -4.140 -0.910 1.00 0.00 C ATOM 1147 O ALA A 76 6.403 -3.508 -1.580 1.00 0.00 O ATOM 1148 CB ALA A 76 7.324 -4.318 1.591 1.00 0.00 C ATOM 0 H ALA A 76 7.867 -6.621 0.898 1.00 0.00 H new ATOM 0 HA ALA A 76 5.683 -4.900 0.364 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.998 -3.281 1.666 1.00 0.00 H new ATOM 0 HB2 ALA A 76 6.957 -4.877 2.452 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.413 -4.356 1.572 1.00 0.00 H new ATOM 1154 N GLU A 77 8.512 -4.196 -1.219 1.00 0.00 N ATOM 1155 CA GLU A 77 9.028 -3.587 -2.439 1.00 0.00 C ATOM 1156 C GLU A 77 8.386 -4.239 -3.652 1.00 0.00 C ATOM 1157 O GLU A 77 8.097 -3.578 -4.649 1.00 0.00 O ATOM 1158 CB GLU A 77 10.548 -3.744 -2.517 1.00 0.00 C ATOM 1159 CG GLU A 77 11.122 -3.298 -3.849 1.00 0.00 C ATOM 1160 CD GLU A 77 12.614 -3.513 -3.955 1.00 0.00 C ATOM 1161 OE1 GLU A 77 13.037 -4.647 -4.255 1.00 0.00 O ATOM 1162 OE2 GLU A 77 13.372 -2.542 -3.754 1.00 0.00 O1- ATOM 0 H GLU A 77 9.218 -4.655 -0.643 1.00 0.00 H new ATOM 0 HA GLU A 77 8.785 -2.524 -2.425 1.00 0.00 H new ATOM 0 HB2 GLU A 77 11.009 -3.165 -1.717 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.809 -4.788 -2.346 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.625 -3.842 -4.652 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.902 -2.241 -3.997 1.00 0.00 H new ATOM 1169 N ARG A 78 8.127 -5.533 -3.534 1.00 0.00 N ATOM 1170 CA ARG A 78 7.540 -6.303 -4.605 1.00 0.00 C ATOM 1171 C ARG A 78 6.154 -5.761 -4.905 1.00 0.00 C ATOM 1172 O ARG A 78 5.731 -5.700 -6.053 1.00 0.00 O ATOM 1173 CB ARG A 78 7.487 -7.768 -4.189 1.00 0.00 C ATOM 1174 CG ARG A 78 7.156 -8.743 -5.299 1.00 0.00 C ATOM 1175 CD ARG A 78 7.253 -10.173 -4.797 1.00 0.00 C ATOM 1176 NE ARG A 78 6.866 -11.150 -5.809 1.00 0.00 N ATOM 1177 CZ ARG A 78 6.449 -12.385 -5.528 1.00 0.00 C ATOM 1178 NH1 ARG A 78 6.342 -12.785 -4.261 1.00 0.00 N1+ ATOM 1179 NH2 ARG A 78 6.132 -13.215 -6.514 1.00 0.00 N ATOM 0 H ARG A 78 8.320 -6.073 -2.690 1.00 0.00 H new ATOM 0 HA ARG A 78 8.140 -6.224 -5.511 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.451 -8.043 -3.762 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.745 -7.878 -3.398 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.150 -8.550 -5.673 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.840 -8.598 -6.135 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.275 -10.373 -4.476 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.615 -10.291 -3.921 1.00 0.00 H new ATOM 0 HE ARG A 78 6.917 -10.872 -6.789 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.579 -12.146 -3.503 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.023 -13.730 -4.050 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.208 -12.908 -7.484 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.813 -14.160 -6.302 1.00 0.00 H new ATOM 1193 N ALA A 79 5.460 -5.329 -3.862 1.00 0.00 N ATOM 1194 CA ALA A 79 4.154 -4.731 -4.031 1.00 0.00 C ATOM 1195 C ALA A 79 4.269 -3.335 -4.611 1.00 0.00 C ATOM 1196 O ALA A 79 3.414 -2.903 -5.367 1.00 0.00 O ATOM 1197 CB ALA A 79 3.386 -4.701 -2.719 1.00 0.00 C ATOM 0 H ALA A 79 5.782 -5.383 -2.896 1.00 0.00 H new ATOM 0 HA ALA A 79 3.597 -5.351 -4.733 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.409 -4.246 -2.880 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.256 -5.718 -2.350 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.942 -4.117 -1.985 1.00 0.00 H new ATOM 1203 N ILE A 80 5.320 -2.622 -4.258 1.00 0.00 N ATOM 1204 CA ILE A 80 5.507 -1.280 -4.778 1.00 0.00 C ATOM 1205 C ILE A 80 5.876 -1.280 -6.253 1.00 0.00 C ATOM 1206 O ILE A 80 5.412 -0.444 -7.012 1.00 0.00 O ATOM 1207 CB ILE A 80 6.568 -0.521 -3.992 1.00 0.00 C ATOM 1208 CG1 ILE A 80 6.244 -0.587 -2.506 1.00 0.00 C ATOM 1209 CG2 ILE A 80 6.635 0.921 -4.452 1.00 0.00 C ATOM 1210 CD1 ILE A 80 7.269 0.081 -1.640 1.00 0.00 C ATOM 0 H ILE A 80 6.050 -2.943 -3.622 1.00 0.00 H new ATOM 0 HA ILE A 80 4.548 -0.775 -4.665 1.00 0.00 H new ATOM 0 HB ILE A 80 7.540 -0.982 -4.168 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.274 -0.121 -2.333 1.00 0.00 H new ATOM 0 HG13 ILE A 80 6.153 -1.632 -2.208 1.00 0.00 H new ATOM 0 HG21 ILE A 80 7.398 1.450 -3.881 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.888 0.953 -5.512 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.668 1.398 -4.295 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.973 -0.005 -0.594 1.00 0.00 H new ATOM 0 HD12 ILE A 80 8.236 -0.400 -1.784 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.343 1.134 -1.911 1.00 0.00 H new ATOM 1222 N ASN A 81 6.693 -2.214 -6.678 1.00 0.00 N ATOM 1223 CA ASN A 81 7.099 -2.224 -8.067 1.00 0.00 C ATOM 1224 C ASN A 81 6.064 -2.919 -8.932 1.00 0.00 C ATOM 1225 O ASN A 81 5.960 -2.663 -10.134 1.00 0.00 O ATOM 1226 CB ASN A 81 8.478 -2.853 -8.235 1.00 0.00 C ATOM 1227 CG ASN A 81 8.632 -4.233 -7.620 1.00 0.00 C ATOM 1228 OD1 ASN A 81 7.752 -5.087 -7.712 1.00 0.00 O ATOM 1229 ND2 ASN A 81 9.768 -4.453 -6.978 1.00 0.00 N ATOM 0 H ASN A 81 7.083 -2.960 -6.101 1.00 0.00 H new ATOM 0 HA ASN A 81 7.169 -1.189 -8.402 1.00 0.00 H new ATOM 0 HB2 ASN A 81 8.704 -2.919 -9.299 1.00 0.00 H new ATOM 0 HB3 ASN A 81 9.220 -2.189 -7.792 1.00 0.00 H new ATOM 0 HD21 ASN A 81 9.938 -5.357 -6.537 1.00 0.00 H new ATOM 0 HD22 ASN A 81 10.474 -3.719 -6.924 1.00 0.00 H new ATOM 1236 N THR A 82 5.315 -3.807 -8.321 1.00 0.00 N ATOM 1237 CA THR A 82 4.266 -4.514 -9.014 1.00 0.00 C ATOM 1238 C THR A 82 2.904 -3.815 -8.878 1.00 0.00 C ATOM 1239 O THR A 82 2.318 -3.372 -9.864 1.00 0.00 O ATOM 1240 CB THR A 82 4.180 -5.956 -8.497 1.00 0.00 C ATOM 1241 OG1 THR A 82 5.336 -6.689 -8.916 1.00 0.00 O ATOM 1242 CG2 THR A 82 2.909 -6.662 -8.955 1.00 0.00 C ATOM 0 H THR A 82 5.415 -4.058 -7.337 1.00 0.00 H new ATOM 0 HA THR A 82 4.518 -4.520 -10.075 1.00 0.00 H new ATOM 0 HB THR A 82 4.145 -5.915 -7.408 1.00 0.00 H new ATOM 0 HG1 THR A 82 6.143 -6.248 -8.578 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.896 -7.679 -8.563 1.00 0.00 H new ATOM 0 HG22 THR A 82 2.038 -6.120 -8.586 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.882 -6.693 -10.044 1.00 0.00 H new ATOM 1250 N LEU A 83 2.424 -3.706 -7.643 1.00 0.00 N ATOM 1251 CA LEU A 83 1.054 -3.280 -7.371 1.00 0.00 C ATOM 1252 C LEU A 83 0.868 -1.763 -7.362 1.00 0.00 C ATOM 1253 O LEU A 83 -0.254 -1.285 -7.490 1.00 0.00 O ATOM 1254 CB LEU A 83 0.589 -3.827 -6.029 1.00 0.00 C ATOM 1255 CG LEU A 83 0.461 -5.348 -5.940 1.00 0.00 C ATOM 1256 CD1 LEU A 83 -0.057 -5.748 -4.572 1.00 0.00 C ATOM 1257 CD2 LEU A 83 -0.453 -5.887 -7.028 1.00 0.00 C ATOM 0 H LEU A 83 2.970 -3.909 -6.806 1.00 0.00 H new ATOM 0 HA LEU A 83 0.457 -3.679 -8.191 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.287 -3.494 -5.261 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.379 -3.385 -5.793 1.00 0.00 H new ATOM 0 HG LEU A 83 1.450 -5.781 -6.087 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.145 -6.833 -4.519 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.636 -5.402 -3.805 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.035 -5.297 -4.407 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.524 -6.971 -6.939 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.445 -5.448 -6.921 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.046 -5.629 -8.006 1.00 0.00 H new ATOM 1269 N ASN A 84 1.931 -1.000 -7.164 1.00 0.00 N ATOM 1270 CA ASN A 84 1.796 0.455 -7.142 1.00 0.00 C ATOM 1271 C ASN A 84 1.386 0.947 -8.524 1.00 0.00 C ATOM 1272 O ASN A 84 2.117 0.778 -9.500 1.00 0.00 O ATOM 1273 CB ASN A 84 3.099 1.120 -6.696 1.00 0.00 C ATOM 1274 CG ASN A 84 2.950 2.597 -6.365 1.00 0.00 C ATOM 1275 OD1 ASN A 84 1.994 3.254 -6.769 1.00 0.00 O ATOM 1276 ND2 ASN A 84 3.919 3.133 -5.635 1.00 0.00 N ATOM 0 H ASN A 84 2.878 -1.349 -7.019 1.00 0.00 H new ATOM 0 HA ASN A 84 1.025 0.727 -6.421 1.00 0.00 H new ATOM 0 HB2 ASN A 84 3.482 0.597 -5.819 1.00 0.00 H new ATOM 0 HB3 ASN A 84 3.843 1.007 -7.485 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.886 4.123 -5.391 1.00 0.00 H new ATOM 0 HD22 ASN A 84 4.697 2.555 -5.317 1.00 0.00 H new ATOM 1283 N GLY A 85 0.208 1.542 -8.601 1.00 0.00 N ATOM 1284 CA GLY A 85 -0.361 1.903 -9.881 1.00 0.00 C ATOM 1285 C GLY A 85 -1.259 0.806 -10.419 1.00 0.00 C ATOM 1286 O GLY A 85 -1.460 0.691 -11.627 1.00 0.00 O ATOM 0 H GLY A 85 -0.368 1.783 -7.795 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.933 2.825 -9.779 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.440 2.101 -10.593 1.00 0.00 H new ATOM 1290 N LEU A 86 -1.793 -0.008 -9.517 1.00 0.00 N ATOM 1291 CA LEU A 86 -2.714 -1.071 -9.894 1.00 0.00 C ATOM 1292 C LEU A 86 -4.121 -0.515 -9.980 1.00 0.00 C ATOM 1293 O LEU A 86 -4.530 0.272 -9.127 1.00 0.00 O ATOM 1294 CB LEU A 86 -2.681 -2.206 -8.861 1.00 0.00 C ATOM 1295 CG LEU A 86 -2.425 -3.612 -9.413 1.00 0.00 C ATOM 1296 CD1 LEU A 86 -3.561 -4.058 -10.320 1.00 0.00 C ATOM 1297 CD2 LEU A 86 -1.098 -3.652 -10.155 1.00 0.00 C ATOM 0 H LEU A 86 -1.603 0.049 -8.516 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.410 -1.467 -10.863 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.908 -1.980 -8.127 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.633 -2.214 -8.329 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.377 -4.306 -8.573 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.353 -5.059 -10.698 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.494 -4.069 -9.756 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.651 -3.366 -11.157 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.928 -4.657 -10.542 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.122 -2.943 -10.983 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.291 -3.385 -9.472 1.00 0.00 H new ATOM 1309 N ARG A 87 -4.854 -0.911 -11.006 1.00 0.00 N ATOM 1310 CA ARG A 87 -6.239 -0.497 -11.131 1.00 0.00 C ATOM 1311 C ARG A 87 -7.139 -1.418 -10.319 1.00 0.00 C ATOM 1312 O ARG A 87 -7.680 -2.400 -10.831 1.00 0.00 O ATOM 1313 CB ARG A 87 -6.673 -0.489 -12.597 1.00 0.00 C ATOM 1314 CG ARG A 87 -6.100 0.667 -13.399 1.00 0.00 C ATOM 1315 CD ARG A 87 -6.726 1.994 -12.998 1.00 0.00 C ATOM 1316 NE ARG A 87 -6.218 3.107 -13.799 1.00 0.00 N ATOM 1317 CZ ARG A 87 -6.844 4.280 -13.940 1.00 0.00 C ATOM 1318 NH1 ARG A 87 -8.012 4.495 -13.352 1.00 0.00 N1+ ATOM 1319 NH2 ARG A 87 -6.298 5.240 -14.671 1.00 0.00 N ATOM 0 H ARG A 87 -4.517 -1.513 -11.757 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.330 0.517 -10.742 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.369 -1.427 -13.061 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.761 -0.448 -12.644 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.021 0.714 -13.250 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.268 0.492 -14.462 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.808 1.932 -13.110 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.525 2.185 -11.944 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.328 2.980 -14.281 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.441 3.762 -12.786 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.482 5.393 -13.465 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.399 5.085 -15.127 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -6.777 6.134 -14.778 1.00 0.00 H new ATOM 1333 N LEU A 88 -7.302 -1.081 -9.054 1.00 0.00 N ATOM 1334 CA LEU A 88 -8.209 -1.784 -8.173 1.00 0.00 C ATOM 1335 C LEU A 88 -9.619 -1.294 -8.413 1.00 0.00 C ATOM 1336 O LEU A 88 -9.936 -0.151 -8.101 1.00 0.00 O ATOM 1337 CB LEU A 88 -7.823 -1.556 -6.718 1.00 0.00 C ATOM 1338 CG LEU A 88 -7.073 -2.712 -6.069 1.00 0.00 C ATOM 1339 CD1 LEU A 88 -6.548 -2.302 -4.710 1.00 0.00 C ATOM 1340 CD2 LEU A 88 -7.998 -3.909 -5.933 1.00 0.00 C ATOM 0 H LEU A 88 -6.806 -0.309 -8.609 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.151 -2.852 -8.382 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -7.205 -0.660 -6.656 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.728 -1.359 -6.143 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.226 -2.983 -6.699 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.014 -3.138 -4.259 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -5.869 -1.457 -4.822 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.382 -2.015 -4.069 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -7.459 -4.735 -5.468 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -8.853 -3.639 -5.313 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -8.347 -4.213 -6.920 1.00 0.00 H new ATOM 1352 N GLN A 89 -10.449 -2.141 -9.005 1.00 0.00 N ATOM 1353 CA GLN A 89 -11.813 -1.757 -9.353 1.00 0.00 C ATOM 1354 C GLN A 89 -11.788 -0.532 -10.259 1.00 0.00 C ATOM 1355 O GLN A 89 -12.669 0.328 -10.195 1.00 0.00 O ATOM 1356 CB GLN A 89 -12.607 -1.464 -8.092 1.00 0.00 C ATOM 1357 CG GLN A 89 -12.702 -2.647 -7.146 1.00 0.00 C ATOM 1358 CD GLN A 89 -13.427 -2.315 -5.857 1.00 0.00 C ATOM 1359 OE1 GLN A 89 -13.304 -1.077 -5.408 1.00 0.00 O flip ATOM 1360 NE2 GLN A 89 -14.085 -3.169 -5.264 1.00 0.00 N flip ATOM 0 H GLN A 89 -10.203 -3.099 -9.255 1.00 0.00 H new ATOM 0 HA GLN A 89 -12.293 -2.579 -9.884 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -12.146 -0.627 -7.568 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -13.613 -1.150 -8.371 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -13.219 -3.466 -7.647 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -11.698 -3.000 -6.912 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -14.155 -4.113 -5.644 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -14.560 -2.933 -4.393 1.00 0.00 H new ATOM 1369 N SER A 90 -10.721 -0.465 -11.054 1.00 0.00 N ATOM 1370 CA SER A 90 -10.494 0.591 -12.041 1.00 0.00 C ATOM 1371 C SER A 90 -9.910 1.849 -11.392 1.00 0.00 C ATOM 1372 O SER A 90 -9.744 2.873 -12.049 1.00 0.00 O ATOM 1373 CB SER A 90 -11.782 0.916 -12.799 1.00 0.00 C ATOM 1374 OG SER A 90 -11.506 1.562 -14.032 1.00 0.00 O ATOM 0 H SER A 90 -9.973 -1.159 -11.030 1.00 0.00 H new ATOM 0 HA SER A 90 -9.762 0.220 -12.758 1.00 0.00 H new ATOM 0 HB2 SER A 90 -12.339 -0.002 -12.984 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.416 1.555 -12.185 1.00 0.00 H new ATOM 0 HG SER A 90 -10.824 2.252 -13.894 1.00 0.00 H new ATOM 1380 N LYS A 91 -9.578 1.759 -10.111 1.00 0.00 N ATOM 1381 CA LYS A 91 -8.955 2.872 -9.395 1.00 0.00 C ATOM 1382 C LYS A 91 -7.467 2.598 -9.191 1.00 0.00 C ATOM 1383 O LYS A 91 -7.093 1.525 -8.735 1.00 0.00 O ATOM 1384 CB LYS A 91 -9.618 3.061 -8.031 1.00 0.00 C ATOM 1385 CG LYS A 91 -10.026 4.479 -7.727 1.00 0.00 C ATOM 1386 CD LYS A 91 -8.813 5.374 -7.696 1.00 0.00 C ATOM 1387 CE LYS A 91 -8.879 6.339 -6.542 1.00 0.00 C ATOM 1388 NZ LYS A 91 -7.918 7.462 -6.707 1.00 0.00 N1+ ATOM 0 H LYS A 91 -9.729 0.926 -9.542 1.00 0.00 H new ATOM 0 HA LYS A 91 -9.082 3.777 -9.989 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.500 2.423 -7.978 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.931 2.720 -7.257 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.729 4.833 -8.481 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.541 4.519 -6.767 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -7.911 4.767 -7.615 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.742 5.927 -8.633 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.891 6.736 -6.457 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.665 5.810 -5.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -7.636 7.818 -5.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.077 7.127 -7.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -8.369 8.228 -7.247 1.00 0.00 H new ATOM 1402 N THR A 92 -6.622 3.564 -9.515 1.00 0.00 N ATOM 1403 CA THR A 92 -5.178 3.377 -9.400 1.00 0.00 C ATOM 1404 C THR A 92 -4.688 3.737 -8.002 1.00 0.00 C ATOM 1405 O THR A 92 -4.958 4.827 -7.505 1.00 0.00 O ATOM 1406 CB THR A 92 -4.414 4.219 -10.432 1.00 0.00 C ATOM 1407 OG1 THR A 92 -5.333 4.803 -11.360 1.00 0.00 O ATOM 1408 CG2 THR A 92 -3.407 3.363 -11.186 1.00 0.00 C ATOM 0 H THR A 92 -6.905 4.482 -9.858 1.00 0.00 H new ATOM 0 HA THR A 92 -4.982 2.322 -9.592 1.00 0.00 H new ATOM 0 HB THR A 92 -3.878 5.007 -9.903 1.00 0.00 H new ATOM 0 HG1 THR A 92 -4.840 5.340 -12.015 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.877 3.979 -11.912 1.00 0.00 H new ATOM 0 HG22 THR A 92 -2.693 2.936 -10.482 1.00 0.00 H new ATOM 0 HG23 THR A 92 -3.929 2.559 -11.705 1.00 0.00 H new ATOM 1416 N ILE A 93 -3.967 2.811 -7.382 1.00 0.00 N ATOM 1417 CA ILE A 93 -3.514 2.961 -6.008 1.00 0.00 C ATOM 1418 C ILE A 93 -2.025 3.298 -5.919 1.00 0.00 C ATOM 1419 O ILE A 93 -1.292 3.179 -6.900 1.00 0.00 O ATOM 1420 CB ILE A 93 -3.771 1.663 -5.244 1.00 0.00 C ATOM 1421 CG1 ILE A 93 -2.919 0.543 -5.850 1.00 0.00 C ATOM 1422 CG2 ILE A 93 -5.253 1.322 -5.302 1.00 0.00 C ATOM 1423 CD1 ILE A 93 -3.156 -0.809 -5.237 1.00 0.00 C ATOM 0 H ILE A 93 -3.681 1.935 -7.819 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.073 3.789 -5.571 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.491 1.781 -4.197 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -3.121 0.486 -6.920 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -1.866 0.801 -5.738 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -5.435 0.396 -4.757 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -5.830 2.129 -4.850 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -5.557 1.197 -6.341 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.515 -1.546 -5.721 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -2.925 -0.771 -4.172 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -4.200 -1.092 -5.372 1.00 0.00 H new ATOM 1435 N LYS A 94 -1.594 3.733 -4.736 1.00 0.00 N ATOM 1436 CA LYS A 94 -0.184 4.016 -4.474 1.00 0.00 C ATOM 1437 C LYS A 94 0.301 3.213 -3.274 1.00 0.00 C ATOM 1438 O LYS A 94 0.068 3.599 -2.134 1.00 0.00 O ATOM 1439 CB LYS A 94 0.028 5.508 -4.188 1.00 0.00 C ATOM 1440 CG LYS A 94 1.364 5.826 -3.518 1.00 0.00 C ATOM 1441 CD LYS A 94 1.380 7.221 -2.929 1.00 0.00 C ATOM 1442 CE LYS A 94 2.591 7.448 -2.028 1.00 0.00 C ATOM 1443 NZ LYS A 94 2.529 6.633 -0.785 1.00 0.00 N1+ ATOM 0 H LYS A 94 -2.207 3.898 -3.938 1.00 0.00 H new ATOM 0 HA LYS A 94 0.383 3.735 -5.361 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.038 6.061 -5.125 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.781 5.864 -3.550 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.559 5.097 -2.731 1.00 0.00 H new ATOM 0 HG3 LYS A 94 2.168 5.730 -4.247 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.385 7.955 -3.735 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.467 7.383 -2.356 1.00 0.00 H new ATOM 0 HE2 LYS A 94 3.500 7.202 -2.576 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.653 8.504 -1.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.354 6.845 -0.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.658 6.860 -0.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.531 5.623 -1.032 1.00 0.00 H new ATOM 1457 N VAL A 95 0.975 2.108 -3.521 1.00 0.00 N ATOM 1458 CA VAL A 95 1.554 1.335 -2.435 1.00 0.00 C ATOM 1459 C VAL A 95 3.003 1.771 -2.222 1.00 0.00 C ATOM 1460 O VAL A 95 3.776 1.908 -3.171 1.00 0.00 O ATOM 1461 CB VAL A 95 1.453 -0.188 -2.676 1.00 0.00 C ATOM 1462 CG1 VAL A 95 0.592 -0.487 -3.886 1.00 0.00 C ATOM 1463 CG2 VAL A 95 2.814 -0.825 -2.798 1.00 0.00 C ATOM 0 H VAL A 95 1.136 1.726 -4.453 1.00 0.00 H new ATOM 0 HA VAL A 95 0.980 1.534 -1.530 1.00 0.00 H new ATOM 0 HB VAL A 95 0.971 -0.629 -1.803 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.536 -1.565 -4.035 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.411 -0.090 -3.726 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.030 -0.021 -4.769 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.701 -1.896 -2.967 1.00 0.00 H new ATOM 0 HG22 VAL A 95 3.350 -0.380 -3.636 1.00 0.00 H new ATOM 0 HG23 VAL A 95 3.377 -0.660 -1.879 1.00 0.00 H new ATOM 1473 N SER A 96 3.346 2.045 -0.984 1.00 0.00 N ATOM 1474 CA SER A 96 4.653 2.568 -0.632 1.00 0.00 C ATOM 1475 C SER A 96 4.919 2.260 0.834 1.00 0.00 C ATOM 1476 O SER A 96 3.993 1.964 1.568 1.00 0.00 O ATOM 1477 CB SER A 96 4.680 4.083 -0.871 1.00 0.00 C ATOM 1478 OG SER A 96 4.224 4.413 -2.174 1.00 0.00 O ATOM 0 H SER A 96 2.725 1.912 -0.186 1.00 0.00 H new ATOM 0 HA SER A 96 5.424 2.105 -1.248 1.00 0.00 H new ATOM 0 HB2 SER A 96 4.055 4.580 -0.129 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.695 4.456 -0.735 1.00 0.00 H new ATOM 0 HG SER A 96 4.540 5.309 -2.414 1.00 0.00 H new ATOM 1484 N TYR A 97 6.171 2.309 1.256 1.00 0.00 N ATOM 1485 CA TYR A 97 6.498 2.062 2.658 1.00 0.00 C ATOM 1486 C TYR A 97 5.922 3.168 3.517 1.00 0.00 C ATOM 1487 O TYR A 97 6.361 4.313 3.430 1.00 0.00 O ATOM 1488 CB TYR A 97 8.009 2.011 2.881 1.00 0.00 C ATOM 1489 CG TYR A 97 8.777 1.230 1.842 1.00 0.00 C ATOM 1490 CD1 TYR A 97 9.649 1.881 0.982 1.00 0.00 C ATOM 1491 CD2 TYR A 97 8.647 -0.149 1.731 1.00 0.00 C ATOM 1492 CE1 TYR A 97 10.371 1.187 0.036 1.00 0.00 C ATOM 1493 CE2 TYR A 97 9.366 -0.854 0.783 1.00 0.00 C ATOM 1494 CZ TYR A 97 10.227 -0.180 -0.060 1.00 0.00 C ATOM 1495 OH TYR A 97 10.948 -0.879 -0.999 1.00 0.00 O ATOM 0 H TYR A 97 6.972 2.515 0.659 1.00 0.00 H new ATOM 0 HA TYR A 97 6.070 1.098 2.933 1.00 0.00 H new ATOM 0 HB2 TYR A 97 8.393 3.031 2.906 1.00 0.00 H new ATOM 0 HB3 TYR A 97 8.203 1.574 3.860 1.00 0.00 H new ATOM 0 HD1 TYR A 97 9.764 2.952 1.055 1.00 0.00 H new ATOM 0 HD2 TYR A 97 7.976 -0.677 2.393 1.00 0.00 H new ATOM 0 HE1 TYR A 97 11.045 1.711 -0.626 1.00 0.00 H new ATOM 0 HE2 TYR A 97 9.255 -1.925 0.703 1.00 0.00 H new ATOM 0 HH TYR A 97 11.798 -0.420 -1.167 1.00 0.00 H new ATOM 1505 N ALA A 98 4.932 2.832 4.327 1.00 0.00 N ATOM 1506 CA ALA A 98 4.373 3.792 5.257 1.00 0.00 C ATOM 1507 C ALA A 98 5.376 4.016 6.378 1.00 0.00 C ATOM 1508 O ALA A 98 5.391 3.257 7.352 1.00 0.00 O ATOM 1509 CB ALA A 98 3.036 3.306 5.801 1.00 0.00 C ATOM 0 H ALA A 98 4.503 1.907 4.358 1.00 0.00 H new ATOM 0 HA ALA A 98 4.184 4.736 4.745 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.636 4.044 6.497 1.00 0.00 H new ATOM 0 HB2 ALA A 98 2.336 3.168 4.977 1.00 0.00 H new ATOM 0 HB3 ALA A 98 3.177 2.358 6.319 1.00 0.00 H new ATOM 1515 N ARG A 99 6.217 5.042 6.210 1.00 0.00 N ATOM 1516 CA ARG A 99 7.413 5.245 7.037 1.00 0.00 C ATOM 1517 C ARG A 99 7.189 4.923 8.519 1.00 0.00 C ATOM 1518 O ARG A 99 6.443 5.605 9.221 1.00 0.00 O ATOM 1519 CB ARG A 99 7.986 6.665 6.849 1.00 0.00 C ATOM 1520 CG ARG A 99 6.957 7.774 6.627 1.00 0.00 C ATOM 1521 CD ARG A 99 6.228 8.168 7.900 1.00 0.00 C ATOM 1522 NE ARG A 99 7.149 8.552 8.972 1.00 0.00 N ATOM 1523 CZ ARG A 99 6.795 9.267 10.038 1.00 0.00 C ATOM 1524 NH1 ARG A 99 5.568 9.758 10.137 1.00 0.00 N1+ ATOM 1525 NH2 ARG A 99 7.678 9.501 10.998 1.00 0.00 N ATOM 0 H ARG A 99 6.088 5.758 5.495 1.00 0.00 H new ATOM 0 HA ARG A 99 8.153 4.527 6.684 1.00 0.00 H new ATOM 0 HB2 ARG A 99 8.579 6.916 7.728 1.00 0.00 H new ATOM 0 HB3 ARG A 99 8.667 6.652 5.998 1.00 0.00 H new ATOM 0 HG2 ARG A 99 7.458 8.650 6.215 1.00 0.00 H new ATOM 0 HG3 ARG A 99 6.230 7.445 5.885 1.00 0.00 H new ATOM 0 HD2 ARG A 99 5.554 8.998 7.688 1.00 0.00 H new ATOM 0 HD3 ARG A 99 5.611 7.334 8.235 1.00 0.00 H new ATOM 0 HE ARG A 99 8.121 8.253 8.897 1.00 0.00 H new ATOM 0 HH11 ARG A 99 4.890 9.589 9.394 1.00 0.00 H new ATOM 0 HH12 ARG A 99 5.302 10.305 10.956 1.00 0.00 H new ATOM 0 HH21 ARG A 99 8.626 9.134 10.919 1.00 0.00 H new ATOM 0 HH22 ARG A 99 7.409 10.048 11.816 1.00 0.00 H new ATOM 1539 N PRO A 100 7.816 3.833 8.996 1.00 0.00 N ATOM 1540 CA PRO A 100 7.751 3.425 10.398 1.00 0.00 C ATOM 1541 C PRO A 100 8.580 4.336 11.291 1.00 0.00 C ATOM 1542 O PRO A 100 9.356 5.161 10.799 1.00 0.00 O ATOM 1543 CB PRO A 100 8.339 2.004 10.402 1.00 0.00 C ATOM 1544 CG PRO A 100 8.465 1.614 8.968 1.00 0.00 C ATOM 1545 CD PRO A 100 8.621 2.893 8.208 1.00 0.00 C ATOM 0 HA PRO A 100 6.733 3.473 10.785 1.00 0.00 H new ATOM 0 HB2 PRO A 100 9.308 1.983 10.900 1.00 0.00 H new ATOM 0 HB3 PRO A 100 7.690 1.313 10.940 1.00 0.00 H new ATOM 0 HG2 PRO A 100 9.324 0.961 8.815 1.00 0.00 H new ATOM 0 HG3 PRO A 100 7.584 1.066 8.633 1.00 0.00 H new ATOM 0 HD2 PRO A 100 9.664 3.204 8.147 1.00 0.00 H new ATOM 0 HD3 PRO A 100 8.255 2.804 7.185 1.00 0.00 H new ATOM 1553 N SER A 101 8.413 4.171 12.600 1.00 0.00 N ATOM 1554 CA SER A 101 9.133 4.960 13.586 1.00 0.00 C ATOM 1555 C SER A 101 8.824 6.446 13.407 1.00 0.00 C ATOM 1556 O SER A 101 9.715 7.205 12.970 1.00 0.00 O ATOM 1557 CB SER A 101 10.634 4.673 13.475 1.00 0.00 C ATOM 1558 OG SER A 101 11.394 5.433 14.400 1.00 0.00 O ATOM 1559 OXT SER A 101 7.674 6.845 13.686 1.00 0.00 O1- ATOM 0 H SER A 101 7.774 3.486 13.004 1.00 0.00 H new ATOM 0 HA SER A 101 8.807 4.680 14.588 1.00 0.00 H new ATOM 0 HB2 SER A 101 10.813 3.611 13.646 1.00 0.00 H new ATOM 0 HB3 SER A 101 10.971 4.894 12.462 1.00 0.00 H new ATOM 0 HG SER A 101 12.345 5.219 14.297 1.00 0.00 H new TER 1565 SER A 101