USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 668 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 90 TYR OH : rot 180:sc= -0.141 USER MOD Set 1.2: A 94 GLN : amide:sc= -0.137 K(o=-0.28,f=1.5) USER MOD Set 2.1: A 45 THR OG1 : rot -170:sc= 0 USER MOD Set 2.2: A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 44 LYS NZ :NH3+ -167:sc= 1.27 (180deg=-0.0342) USER MOD Set 3.2: A 77 TYR OH : rot 150:sc= 0.953 USER MOD Set 4.1: A 3 SER OG : rot 81:sc= 2.03 USER MOD Set 4.2: A 80 THR OG1 : rot 149:sc= 1.08 USER MOD Single : A 2 ASN : amide:sc= 0.997 K(o=1,f=0) USER MOD Single : A 7 LYS NZ :NH3+ -172:sc= 0.0138 (180deg=-0.113!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.085 X(o=0.085,f=0) USER MOD Single : A 25 HIS : no HD1:sc= 0.963 K(o=0.96,f=-5.2!) USER MOD Single : A 27 LYS NZ :NH3+ 144:sc= 1.21 (180deg=0.643) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -169:sc= 1.18 (180deg=0.859) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 167:sc= -0.013 (180deg=-0.192) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 THR OG1 : rot 144:sc= 1.5 USER MOD Single : A 91 SER OG : rot 180:sc= 0.0471 USER MOD Single : A 95 LYS NZ :NH3+ 164:sc= 1.29 (180deg=1.22) USER MOD Single : A 98 LYS NZ :NH3+ -165:sc= -0.0527 (180deg=-0.255) USER MOD Single : A 99 LYS NZ :NH3+ -171:sc=-0.00042 (180deg=-0.0727) USER MOD ----------------------------------------------------------------- ATOM 20 N ASN A 2 80.328 -10.981 -6.468 1.00 0.00 N ATOM 21 CA ASN A 2 81.547 -11.002 -7.265 1.00 0.00 C ATOM 22 C ASN A 2 82.085 -9.588 -7.431 1.00 0.00 C ATOM 23 O ASN A 2 81.383 -8.614 -7.154 1.00 0.00 O ATOM 24 CB ASN A 2 81.291 -11.625 -8.642 1.00 0.00 C ATOM 25 CG ASN A 2 81.062 -13.122 -8.572 1.00 0.00 C ATOM 26 OD1 ASN A 2 79.938 -13.582 -8.369 1.00 0.00 O ATOM 27 ND2 ASN A 2 82.123 -13.896 -8.751 1.00 0.00 N ATOM 0 HA ASN A 2 82.285 -11.611 -6.743 1.00 0.00 H new ATOM 0 HB2 ASN A 2 80.422 -11.149 -9.096 1.00 0.00 H new ATOM 0 HB3 ASN A 2 82.142 -11.421 -9.292 1.00 0.00 H new ATOM 0 HD21 ASN A 2 82.024 -14.911 -8.723 1.00 0.00 H new ATOM 0 HD22 ASN A 2 83.038 -13.477 -8.917 1.00 0.00 H new ATOM 34 N SER A 3 83.324 -9.479 -7.883 1.00 0.00 N ATOM 35 CA SER A 3 83.958 -8.185 -8.112 1.00 0.00 C ATOM 36 C SER A 3 83.225 -7.422 -9.210 1.00 0.00 C ATOM 37 O SER A 3 83.208 -6.191 -9.230 1.00 0.00 O ATOM 38 CB SER A 3 85.418 -8.390 -8.506 1.00 0.00 C ATOM 39 OG SER A 3 86.042 -9.316 -7.636 1.00 0.00 O ATOM 0 H SER A 3 83.918 -10.279 -8.101 1.00 0.00 H new ATOM 0 HA SER A 3 83.912 -7.602 -7.192 1.00 0.00 H new ATOM 0 HB2 SER A 3 85.476 -8.751 -9.533 1.00 0.00 H new ATOM 0 HB3 SER A 3 85.947 -7.437 -8.472 1.00 0.00 H new ATOM 0 HG SER A 3 85.810 -10.228 -7.908 1.00 0.00 H new ATOM 45 N GLU A 4 82.609 -8.178 -10.111 1.00 0.00 N ATOM 46 CA GLU A 4 81.831 -7.614 -11.202 1.00 0.00 C ATOM 47 C GLU A 4 80.642 -6.825 -10.650 1.00 0.00 C ATOM 48 O GLU A 4 80.244 -5.805 -11.209 1.00 0.00 O ATOM 49 CB GLU A 4 81.365 -8.747 -12.119 1.00 0.00 C ATOM 50 CG GLU A 4 80.777 -8.287 -13.440 1.00 0.00 C ATOM 51 CD GLU A 4 80.576 -9.439 -14.402 1.00 0.00 C ATOM 52 OE1 GLU A 4 81.532 -9.780 -15.131 1.00 0.00 O ATOM 53 OE2 GLU A 4 79.470 -10.016 -14.432 1.00 0.00 O ATOM 0 H GLU A 4 82.636 -9.198 -10.104 1.00 0.00 H new ATOM 0 HA GLU A 4 82.447 -6.924 -11.779 1.00 0.00 H new ATOM 0 HB2 GLU A 4 82.211 -9.404 -12.322 1.00 0.00 H new ATOM 0 HB3 GLU A 4 80.619 -9.341 -11.591 1.00 0.00 H new ATOM 0 HG2 GLU A 4 79.822 -7.794 -13.260 1.00 0.00 H new ATOM 0 HG3 GLU A 4 81.437 -7.547 -13.893 1.00 0.00 H new ATOM 60 N VAL A 5 80.108 -7.289 -9.524 1.00 0.00 N ATOM 61 CA VAL A 5 79.007 -6.610 -8.848 1.00 0.00 C ATOM 62 C VAL A 5 79.475 -5.264 -8.302 1.00 0.00 C ATOM 63 O VAL A 5 78.759 -4.265 -8.377 1.00 0.00 O ATOM 64 CB VAL A 5 78.447 -7.466 -7.689 1.00 0.00 C ATOM 65 CG1 VAL A 5 77.344 -6.727 -6.941 1.00 0.00 C ATOM 66 CG2 VAL A 5 77.942 -8.805 -8.212 1.00 0.00 C ATOM 0 H VAL A 5 80.423 -8.139 -9.057 1.00 0.00 H new ATOM 0 HA VAL A 5 78.214 -6.455 -9.579 1.00 0.00 H new ATOM 0 HB VAL A 5 79.258 -7.653 -6.985 1.00 0.00 H new ATOM 0 HG11 VAL A 5 76.970 -7.354 -6.132 1.00 0.00 H new ATOM 0 HG12 VAL A 5 77.742 -5.801 -6.528 1.00 0.00 H new ATOM 0 HG13 VAL A 5 76.530 -6.497 -7.628 1.00 0.00 H new ATOM 0 HG21 VAL A 5 77.551 -9.395 -7.383 1.00 0.00 H new ATOM 0 HG22 VAL A 5 77.150 -8.635 -8.942 1.00 0.00 H new ATOM 0 HG23 VAL A 5 78.763 -9.344 -8.686 1.00 0.00 H new ATOM 76 N ILE A 6 80.694 -5.245 -7.776 1.00 0.00 N ATOM 77 CA ILE A 6 81.274 -4.028 -7.224 1.00 0.00 C ATOM 78 C ILE A 6 81.443 -2.976 -8.316 1.00 0.00 C ATOM 79 O ILE A 6 81.180 -1.795 -8.100 1.00 0.00 O ATOM 80 CB ILE A 6 82.640 -4.309 -6.559 1.00 0.00 C ATOM 81 CG1 ILE A 6 82.489 -5.388 -5.484 1.00 0.00 C ATOM 82 CG2 ILE A 6 83.216 -3.033 -5.956 1.00 0.00 C ATOM 83 CD1 ILE A 6 83.796 -5.789 -4.833 1.00 0.00 C ATOM 0 H ILE A 6 81.302 -6.062 -7.720 1.00 0.00 H new ATOM 0 HA ILE A 6 80.590 -3.652 -6.463 1.00 0.00 H new ATOM 0 HB ILE A 6 83.331 -4.668 -7.322 1.00 0.00 H new ATOM 0 HG12 ILE A 6 81.806 -5.028 -4.715 1.00 0.00 H new ATOM 0 HG13 ILE A 6 82.030 -6.270 -5.930 1.00 0.00 H new ATOM 0 HG21 ILE A 6 84.178 -3.252 -5.492 1.00 0.00 H new ATOM 0 HG22 ILE A 6 83.352 -2.289 -6.741 1.00 0.00 H new ATOM 0 HG23 ILE A 6 82.530 -2.645 -5.203 1.00 0.00 H new ATOM 0 HD11 ILE A 6 83.608 -6.557 -4.083 1.00 0.00 H new ATOM 0 HD12 ILE A 6 84.475 -6.180 -5.591 1.00 0.00 H new ATOM 0 HD13 ILE A 6 84.247 -4.919 -4.356 1.00 0.00 H new ATOM 95 N LYS A 7 81.858 -3.421 -9.496 1.00 0.00 N ATOM 96 CA LYS A 7 82.045 -2.525 -10.632 1.00 0.00 C ATOM 97 C LYS A 7 80.717 -1.908 -11.058 1.00 0.00 C ATOM 98 O LYS A 7 80.646 -0.718 -11.373 1.00 0.00 O ATOM 99 CB LYS A 7 82.684 -3.278 -11.799 1.00 0.00 C ATOM 100 CG LYS A 7 84.053 -3.847 -11.466 1.00 0.00 C ATOM 101 CD LYS A 7 84.677 -4.564 -12.652 1.00 0.00 C ATOM 102 CE LYS A 7 86.074 -5.055 -12.312 1.00 0.00 C ATOM 103 NZ LYS A 7 86.763 -5.669 -13.478 1.00 0.00 N ATOM 0 H LYS A 7 82.072 -4.399 -9.692 1.00 0.00 H new ATOM 0 HA LYS A 7 82.712 -1.718 -10.329 1.00 0.00 H new ATOM 0 HB2 LYS A 7 82.024 -4.090 -12.104 1.00 0.00 H new ATOM 0 HB3 LYS A 7 82.775 -2.605 -12.651 1.00 0.00 H new ATOM 0 HG2 LYS A 7 84.712 -3.041 -11.143 1.00 0.00 H new ATOM 0 HG3 LYS A 7 83.964 -4.540 -10.630 1.00 0.00 H new ATOM 0 HD2 LYS A 7 84.051 -5.408 -12.943 1.00 0.00 H new ATOM 0 HD3 LYS A 7 84.722 -3.890 -13.508 1.00 0.00 H new ATOM 0 HE2 LYS A 7 86.669 -4.220 -11.942 1.00 0.00 H new ATOM 0 HE3 LYS A 7 86.012 -5.785 -11.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 87.652 -6.107 -13.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 86.150 -6.395 -13.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 86.969 -4.935 -14.185 1.00 0.00 H new ATOM 117 N GLU A 8 79.664 -2.718 -11.043 1.00 0.00 N ATOM 118 CA GLU A 8 78.325 -2.243 -11.373 1.00 0.00 C ATOM 119 C GLU A 8 77.814 -1.282 -10.302 1.00 0.00 C ATOM 120 O GLU A 8 77.136 -0.301 -10.605 1.00 0.00 O ATOM 121 CB GLU A 8 77.368 -3.423 -11.525 1.00 0.00 C ATOM 122 CG GLU A 8 77.750 -4.366 -12.653 1.00 0.00 C ATOM 123 CD GLU A 8 77.825 -3.668 -13.993 1.00 0.00 C ATOM 124 OE1 GLU A 8 76.763 -3.424 -14.599 1.00 0.00 O ATOM 125 OE2 GLU A 8 78.946 -3.366 -14.455 1.00 0.00 O ATOM 0 H GLU A 8 79.712 -3.709 -10.805 1.00 0.00 H new ATOM 0 HA GLU A 8 78.375 -1.706 -12.320 1.00 0.00 H new ATOM 0 HB2 GLU A 8 77.339 -3.981 -10.589 1.00 0.00 H new ATOM 0 HB3 GLU A 8 76.361 -3.045 -11.702 1.00 0.00 H new ATOM 0 HG2 GLU A 8 78.715 -4.822 -12.430 1.00 0.00 H new ATOM 0 HG3 GLU A 8 77.021 -5.174 -12.709 1.00 0.00 H new ATOM 132 N PHE A 9 78.149 -1.567 -9.050 1.00 0.00 N ATOM 133 CA PHE A 9 77.794 -0.688 -7.944 1.00 0.00 C ATOM 134 C PHE A 9 78.456 0.677 -8.120 1.00 0.00 C ATOM 135 O PHE A 9 77.824 1.717 -7.926 1.00 0.00 O ATOM 136 CB PHE A 9 78.210 -1.318 -6.610 1.00 0.00 C ATOM 137 CG PHE A 9 77.882 -0.479 -5.405 1.00 0.00 C ATOM 138 CD1 PHE A 9 76.570 -0.341 -4.977 1.00 0.00 C ATOM 139 CD2 PHE A 9 78.885 0.166 -4.699 1.00 0.00 C ATOM 140 CE1 PHE A 9 76.267 0.423 -3.866 1.00 0.00 C ATOM 141 CE2 PHE A 9 78.587 0.931 -3.588 1.00 0.00 C ATOM 142 CZ PHE A 9 77.276 1.061 -3.172 1.00 0.00 C ATOM 0 H PHE A 9 78.667 -2.402 -8.775 1.00 0.00 H new ATOM 0 HA PHE A 9 76.713 -0.550 -7.939 1.00 0.00 H new ATOM 0 HB2 PHE A 9 77.720 -2.286 -6.509 1.00 0.00 H new ATOM 0 HB3 PHE A 9 79.284 -1.505 -6.628 1.00 0.00 H new ATOM 0 HD1 PHE A 9 75.777 -0.836 -5.518 1.00 0.00 H new ATOM 0 HD2 PHE A 9 79.911 0.069 -5.021 1.00 0.00 H new ATOM 0 HE1 PHE A 9 75.242 0.521 -3.541 1.00 0.00 H new ATOM 0 HE2 PHE A 9 79.378 1.427 -3.045 1.00 0.00 H new ATOM 0 HZ PHE A 9 77.041 1.661 -2.305 1.00 0.00 H new ATOM 152 N LEU A 10 79.729 0.661 -8.505 1.00 0.00 N ATOM 153 CA LEU A 10 80.478 1.889 -8.756 1.00 0.00 C ATOM 154 C LEU A 10 79.896 2.640 -9.949 1.00 0.00 C ATOM 155 O LEU A 10 79.919 3.871 -9.992 1.00 0.00 O ATOM 156 CB LEU A 10 81.954 1.571 -9.004 1.00 0.00 C ATOM 157 CG LEU A 10 82.680 0.902 -7.834 1.00 0.00 C ATOM 158 CD1 LEU A 10 84.099 0.532 -8.231 1.00 0.00 C ATOM 159 CD2 LEU A 10 82.688 1.812 -6.615 1.00 0.00 C ATOM 0 H LEU A 10 80.266 -0.194 -8.651 1.00 0.00 H new ATOM 0 HA LEU A 10 80.398 2.524 -7.874 1.00 0.00 H new ATOM 0 HB2 LEU A 10 82.028 0.922 -9.876 1.00 0.00 H new ATOM 0 HB3 LEU A 10 82.473 2.497 -9.251 1.00 0.00 H new ATOM 0 HG LEU A 10 82.144 -0.011 -7.575 1.00 0.00 H new ATOM 0 HD11 LEU A 10 84.601 0.058 -7.388 1.00 0.00 H new ATOM 0 HD12 LEU A 10 84.073 -0.159 -9.073 1.00 0.00 H new ATOM 0 HD13 LEU A 10 84.643 1.432 -8.517 1.00 0.00 H new ATOM 0 HD21 LEU A 10 83.209 1.317 -5.795 1.00 0.00 H new ATOM 0 HD22 LEU A 10 83.198 2.743 -6.860 1.00 0.00 H new ATOM 0 HD23 LEU A 10 81.662 2.028 -6.316 1.00 0.00 H new ATOM 171 N GLU A 11 79.369 1.888 -10.907 1.00 0.00 N ATOM 172 CA GLU A 11 78.721 2.469 -12.075 1.00 0.00 C ATOM 173 C GLU A 11 77.494 3.274 -11.656 1.00 0.00 C ATOM 174 O GLU A 11 77.310 4.415 -12.085 1.00 0.00 O ATOM 175 CB GLU A 11 78.310 1.365 -13.051 1.00 0.00 C ATOM 176 CG GLU A 11 77.572 1.874 -14.276 1.00 0.00 C ATOM 177 CD GLU A 11 76.949 0.756 -15.083 1.00 0.00 C ATOM 178 OE1 GLU A 11 75.857 0.283 -14.707 1.00 0.00 O ATOM 179 OE2 GLU A 11 77.548 0.346 -16.099 1.00 0.00 O ATOM 0 H GLU A 11 79.378 0.868 -10.897 1.00 0.00 H new ATOM 0 HA GLU A 11 79.428 3.136 -12.568 1.00 0.00 H new ATOM 0 HB2 GLU A 11 79.202 0.827 -13.373 1.00 0.00 H new ATOM 0 HB3 GLU A 11 77.677 0.648 -12.528 1.00 0.00 H new ATOM 0 HG2 GLU A 11 76.793 2.570 -13.964 1.00 0.00 H new ATOM 0 HG3 GLU A 11 78.264 2.432 -14.907 1.00 0.00 H new ATOM 186 N ASP A 12 76.669 2.677 -10.802 1.00 0.00 N ATOM 187 CA ASP A 12 75.439 3.316 -10.347 1.00 0.00 C ATOM 188 C ASP A 12 75.738 4.578 -9.548 1.00 0.00 C ATOM 189 O ASP A 12 75.213 5.649 -9.849 1.00 0.00 O ATOM 190 CB ASP A 12 74.609 2.353 -9.498 1.00 0.00 C ATOM 191 CG ASP A 12 73.317 2.984 -9.007 1.00 0.00 C ATOM 192 OD1 ASP A 12 72.333 3.007 -9.776 1.00 0.00 O ATOM 193 OD2 ASP A 12 73.279 3.459 -7.850 1.00 0.00 O ATOM 0 H ASP A 12 76.830 1.749 -10.410 1.00 0.00 H new ATOM 0 HA ASP A 12 74.867 3.592 -11.233 1.00 0.00 H new ATOM 0 HB2 ASP A 12 74.377 1.464 -10.084 1.00 0.00 H new ATOM 0 HB3 ASP A 12 75.199 2.026 -8.642 1.00 0.00 H new ATOM 198 N ILE A 13 76.595 4.453 -8.540 1.00 0.00 N ATOM 199 CA ILE A 13 76.907 5.584 -7.671 1.00 0.00 C ATOM 200 C ILE A 13 77.674 6.668 -8.427 1.00 0.00 C ATOM 201 O ILE A 13 77.589 7.849 -8.088 1.00 0.00 O ATOM 202 CB ILE A 13 77.706 5.161 -6.418 1.00 0.00 C ATOM 203 CG1 ILE A 13 79.052 4.538 -6.806 1.00 0.00 C ATOM 204 CG2 ILE A 13 76.889 4.187 -5.579 1.00 0.00 C ATOM 205 CD1 ILE A 13 79.922 4.187 -5.619 1.00 0.00 C ATOM 0 H ILE A 13 77.083 3.588 -8.305 1.00 0.00 H new ATOM 0 HA ILE A 13 75.950 5.987 -7.339 1.00 0.00 H new ATOM 0 HB ILE A 13 77.909 6.053 -5.825 1.00 0.00 H new ATOM 0 HG12 ILE A 13 78.870 3.637 -7.392 1.00 0.00 H new ATOM 0 HG13 ILE A 13 79.592 5.233 -7.449 1.00 0.00 H new ATOM 0 HG21 ILE A 13 77.462 3.896 -4.699 1.00 0.00 H new ATOM 0 HG22 ILE A 13 75.961 4.666 -5.266 1.00 0.00 H new ATOM 0 HG23 ILE A 13 76.658 3.301 -6.171 1.00 0.00 H new ATOM 0 HD11 ILE A 13 80.857 3.751 -5.970 1.00 0.00 H new ATOM 0 HD12 ILE A 13 80.135 5.089 -5.045 1.00 0.00 H new ATOM 0 HD13 ILE A 13 79.401 3.468 -4.986 1.00 0.00 H new ATOM 217 N GLY A 14 78.408 6.263 -9.456 1.00 0.00 N ATOM 218 CA GLY A 14 79.141 7.215 -10.265 1.00 0.00 C ATOM 219 C GLY A 14 80.552 7.430 -9.769 1.00 0.00 C ATOM 220 O GLY A 14 80.941 8.554 -9.443 1.00 0.00 O ATOM 0 H GLY A 14 78.508 5.290 -9.744 1.00 0.00 H new ATOM 0 HA2 GLY A 14 79.171 6.863 -11.296 1.00 0.00 H new ATOM 0 HA3 GLY A 14 78.611 8.168 -10.269 1.00 0.00 H new ATOM 224 N GLU A 15 81.322 6.354 -9.705 1.00 0.00 N ATOM 225 CA GLU A 15 82.699 6.435 -9.253 1.00 0.00 C ATOM 226 C GLU A 15 83.602 5.599 -10.157 1.00 0.00 C ATOM 227 O GLU A 15 83.174 4.583 -10.703 1.00 0.00 O ATOM 228 CB GLU A 15 82.806 5.961 -7.801 1.00 0.00 C ATOM 229 CG GLU A 15 84.159 6.241 -7.173 1.00 0.00 C ATOM 230 CD GLU A 15 84.554 7.698 -7.295 1.00 0.00 C ATOM 231 OE1 GLU A 15 85.172 8.066 -8.313 1.00 0.00 O ATOM 232 OE2 GLU A 15 84.244 8.485 -6.382 1.00 0.00 O ATOM 0 H GLU A 15 81.015 5.416 -9.961 1.00 0.00 H new ATOM 0 HA GLU A 15 83.026 7.474 -9.304 1.00 0.00 H new ATOM 0 HB2 GLU A 15 82.031 6.449 -7.209 1.00 0.00 H new ATOM 0 HB3 GLU A 15 82.610 4.889 -7.761 1.00 0.00 H new ATOM 0 HG2 GLU A 15 84.135 5.960 -6.120 1.00 0.00 H new ATOM 0 HG3 GLU A 15 84.916 5.620 -7.652 1.00 0.00 H new ATOM 239 N ASP A 16 84.843 6.040 -10.317 1.00 0.00 N ATOM 240 CA ASP A 16 85.801 5.346 -11.170 1.00 0.00 C ATOM 241 C ASP A 16 86.675 4.412 -10.347 1.00 0.00 C ATOM 242 O ASP A 16 87.091 4.753 -9.239 1.00 0.00 O ATOM 243 CB ASP A 16 86.693 6.344 -11.919 1.00 0.00 C ATOM 244 CG ASP A 16 85.940 7.165 -12.945 1.00 0.00 C ATOM 245 OD1 ASP A 16 85.679 6.650 -14.054 1.00 0.00 O ATOM 246 OD2 ASP A 16 85.624 8.342 -12.659 1.00 0.00 O ATOM 0 H ASP A 16 85.211 6.878 -9.866 1.00 0.00 H new ATOM 0 HA ASP A 16 85.233 4.763 -11.895 1.00 0.00 H new ATOM 0 HB2 ASP A 16 87.161 7.015 -11.199 1.00 0.00 H new ATOM 0 HB3 ASP A 16 87.496 5.801 -12.417 1.00 0.00 H new ATOM 251 N TYR A 17 86.952 3.234 -10.885 1.00 0.00 N ATOM 252 CA TYR A 17 87.833 2.289 -10.217 1.00 0.00 C ATOM 253 C TYR A 17 89.127 2.120 -11.002 1.00 0.00 C ATOM 254 O TYR A 17 89.125 2.132 -12.236 1.00 0.00 O ATOM 255 CB TYR A 17 87.143 0.928 -10.018 1.00 0.00 C ATOM 256 CG TYR A 17 86.803 0.188 -11.297 1.00 0.00 C ATOM 257 CD1 TYR A 17 87.708 -0.694 -11.876 1.00 0.00 C ATOM 258 CD2 TYR A 17 85.574 0.364 -11.919 1.00 0.00 C ATOM 259 CE1 TYR A 17 87.400 -1.374 -13.038 1.00 0.00 C ATOM 260 CE2 TYR A 17 85.259 -0.312 -13.081 1.00 0.00 C ATOM 261 CZ TYR A 17 86.175 -1.178 -13.636 1.00 0.00 C ATOM 262 OH TYR A 17 85.867 -1.853 -14.793 1.00 0.00 O ATOM 0 H TYR A 17 86.581 2.911 -11.779 1.00 0.00 H new ATOM 0 HA TYR A 17 88.071 2.692 -9.232 1.00 0.00 H new ATOM 0 HB2 TYR A 17 87.790 0.295 -9.411 1.00 0.00 H new ATOM 0 HB3 TYR A 17 86.225 1.083 -9.451 1.00 0.00 H new ATOM 0 HD1 TYR A 17 88.669 -0.850 -11.409 1.00 0.00 H new ATOM 0 HD2 TYR A 17 84.852 1.041 -11.487 1.00 0.00 H new ATOM 0 HE1 TYR A 17 88.115 -2.055 -13.475 1.00 0.00 H new ATOM 0 HE2 TYR A 17 84.299 -0.162 -13.552 1.00 0.00 H new ATOM 0 HH TYR A 17 84.965 -1.605 -15.086 1.00 0.00 H new ATOM 272 N ILE A 18 90.233 1.985 -10.289 1.00 0.00 N ATOM 273 CA ILE A 18 91.519 1.746 -10.923 1.00 0.00 C ATOM 274 C ILE A 18 91.884 0.273 -10.811 1.00 0.00 C ATOM 275 O ILE A 18 92.389 -0.177 -9.779 1.00 0.00 O ATOM 276 CB ILE A 18 92.639 2.607 -10.294 1.00 0.00 C ATOM 277 CG1 ILE A 18 92.263 4.091 -10.350 1.00 0.00 C ATOM 278 CG2 ILE A 18 93.965 2.361 -11.008 1.00 0.00 C ATOM 279 CD1 ILE A 18 93.276 5.001 -9.687 1.00 0.00 C ATOM 0 H ILE A 18 90.266 2.037 -9.271 1.00 0.00 H new ATOM 0 HA ILE A 18 91.428 2.028 -11.972 1.00 0.00 H new ATOM 0 HB ILE A 18 92.755 2.319 -9.249 1.00 0.00 H new ATOM 0 HG12 ILE A 18 92.148 4.388 -11.392 1.00 0.00 H new ATOM 0 HG13 ILE A 18 91.294 4.230 -9.870 1.00 0.00 H new ATOM 0 HG21 ILE A 18 94.743 2.975 -10.553 1.00 0.00 H new ATOM 0 HG22 ILE A 18 94.236 1.309 -10.921 1.00 0.00 H new ATOM 0 HG23 ILE A 18 93.865 2.624 -12.061 1.00 0.00 H new ATOM 0 HD11 ILE A 18 92.942 6.036 -9.766 1.00 0.00 H new ATOM 0 HD12 ILE A 18 93.374 4.731 -8.636 1.00 0.00 H new ATOM 0 HD13 ILE A 18 94.241 4.892 -10.181 1.00 0.00 H new ATOM 291 N GLU A 19 91.597 -0.484 -11.858 1.00 0.00 N ATOM 292 CA GLU A 19 91.879 -1.909 -11.854 1.00 0.00 C ATOM 293 C GLU A 19 93.199 -2.201 -12.553 1.00 0.00 C ATOM 294 O GLU A 19 93.394 -1.864 -13.719 1.00 0.00 O ATOM 295 CB GLU A 19 90.742 -2.691 -12.512 1.00 0.00 C ATOM 296 CG GLU A 19 90.972 -4.194 -12.522 1.00 0.00 C ATOM 297 CD GLU A 19 89.744 -4.969 -12.942 1.00 0.00 C ATOM 298 OE1 GLU A 19 89.400 -4.949 -14.138 1.00 0.00 O ATOM 299 OE2 GLU A 19 89.106 -5.595 -12.074 1.00 0.00 O ATOM 0 H GLU A 19 91.171 -0.137 -12.717 1.00 0.00 H new ATOM 0 HA GLU A 19 91.961 -2.232 -10.816 1.00 0.00 H new ATOM 0 HB2 GLU A 19 89.811 -2.476 -11.987 1.00 0.00 H new ATOM 0 HB3 GLU A 19 90.617 -2.343 -13.537 1.00 0.00 H new ATOM 0 HG2 GLU A 19 91.793 -4.427 -13.200 1.00 0.00 H new ATOM 0 HG3 GLU A 19 91.278 -4.517 -11.527 1.00 0.00 H new ATOM 306 N LEU A 20 94.101 -2.825 -11.820 1.00 0.00 N ATOM 307 CA LEU A 20 95.411 -3.188 -12.336 1.00 0.00 C ATOM 308 C LEU A 20 95.509 -4.694 -12.516 1.00 0.00 C ATOM 309 O LEU A 20 96.579 -5.280 -12.343 1.00 0.00 O ATOM 310 CB LEU A 20 96.492 -2.712 -11.372 1.00 0.00 C ATOM 311 CG LEU A 20 96.595 -1.197 -11.206 1.00 0.00 C ATOM 312 CD1 LEU A 20 97.650 -0.856 -10.175 1.00 0.00 C ATOM 313 CD2 LEU A 20 96.918 -0.531 -12.536 1.00 0.00 C ATOM 0 H LEU A 20 93.948 -3.096 -10.849 1.00 0.00 H new ATOM 0 HA LEU A 20 95.553 -2.710 -13.305 1.00 0.00 H new ATOM 0 HB2 LEU A 20 96.306 -3.157 -10.394 1.00 0.00 H new ATOM 0 HB3 LEU A 20 97.455 -3.090 -11.716 1.00 0.00 H new ATOM 0 HG LEU A 20 95.632 -0.821 -10.861 1.00 0.00 H new ATOM 0 HD11 LEU A 20 97.715 0.226 -10.065 1.00 0.00 H new ATOM 0 HD12 LEU A 20 97.381 -1.303 -9.218 1.00 0.00 H new ATOM 0 HD13 LEU A 20 98.615 -1.246 -10.499 1.00 0.00 H new ATOM 0 HD21 LEU A 20 96.987 0.548 -12.395 1.00 0.00 H new ATOM 0 HD22 LEU A 20 97.869 -0.910 -12.911 1.00 0.00 H new ATOM 0 HD23 LEU A 20 96.130 -0.754 -13.255 1.00 0.00 H new ATOM 325 N GLU A 21 94.380 -5.299 -12.879 1.00 0.00 N ATOM 326 CA GLU A 21 94.267 -6.748 -13.046 1.00 0.00 C ATOM 327 C GLU A 21 94.352 -7.446 -11.688 1.00 0.00 C ATOM 328 O GLU A 21 95.436 -7.595 -11.119 1.00 0.00 O ATOM 329 CB GLU A 21 95.344 -7.280 -14.001 1.00 0.00 C ATOM 330 CG GLU A 21 95.273 -8.777 -14.241 1.00 0.00 C ATOM 331 CD GLU A 21 96.444 -9.284 -15.052 1.00 0.00 C ATOM 332 OE1 GLU A 21 97.504 -9.567 -14.457 1.00 0.00 O ATOM 333 OE2 GLU A 21 96.316 -9.392 -16.290 1.00 0.00 O ATOM 0 H GLU A 21 93.513 -4.796 -13.067 1.00 0.00 H new ATOM 0 HA GLU A 21 93.295 -6.966 -13.488 1.00 0.00 H new ATOM 0 HB2 GLU A 21 95.253 -6.765 -14.957 1.00 0.00 H new ATOM 0 HB3 GLU A 21 96.326 -7.033 -13.598 1.00 0.00 H new ATOM 0 HG2 GLU A 21 95.246 -9.296 -13.283 1.00 0.00 H new ATOM 0 HG3 GLU A 21 94.344 -9.016 -14.759 1.00 0.00 H new ATOM 340 N ASN A 22 93.189 -7.837 -11.166 1.00 0.00 N ATOM 341 CA ASN A 22 93.078 -8.474 -9.846 1.00 0.00 C ATOM 342 C ASN A 22 93.396 -7.502 -8.713 1.00 0.00 C ATOM 343 O ASN A 22 93.421 -7.889 -7.547 1.00 0.00 O ATOM 344 CB ASN A 22 93.960 -9.722 -9.738 1.00 0.00 C ATOM 345 CG ASN A 22 93.296 -10.956 -10.318 1.00 0.00 C ATOM 346 OD1 ASN A 22 93.433 -11.252 -11.506 1.00 0.00 O ATOM 347 ND2 ASN A 22 92.574 -11.688 -9.483 1.00 0.00 N ATOM 0 H ASN A 22 92.295 -7.723 -11.644 1.00 0.00 H new ATOM 0 HA ASN A 22 92.038 -8.783 -9.743 1.00 0.00 H new ATOM 0 HB2 ASN A 22 94.902 -9.543 -10.256 1.00 0.00 H new ATOM 0 HB3 ASN A 22 94.202 -9.902 -8.691 1.00 0.00 H new ATOM 0 HD21 ASN A 22 92.107 -12.531 -9.817 1.00 0.00 H new ATOM 0 HD22 ASN A 22 92.485 -11.409 -8.506 1.00 0.00 H new ATOM 354 N GLU A 23 93.644 -6.246 -9.052 1.00 0.00 N ATOM 355 CA GLU A 23 93.790 -5.203 -8.050 1.00 0.00 C ATOM 356 C GLU A 23 92.906 -4.019 -8.387 1.00 0.00 C ATOM 357 O GLU A 23 93.123 -3.343 -9.389 1.00 0.00 O ATOM 358 CB GLU A 23 95.235 -4.721 -7.932 1.00 0.00 C ATOM 359 CG GLU A 23 96.160 -5.681 -7.209 1.00 0.00 C ATOM 360 CD GLU A 23 97.204 -4.948 -6.391 1.00 0.00 C ATOM 361 OE1 GLU A 23 97.607 -3.832 -6.789 1.00 0.00 O ATOM 362 OE2 GLU A 23 97.613 -5.477 -5.338 1.00 0.00 O ATOM 0 H GLU A 23 93.748 -5.925 -10.014 1.00 0.00 H new ATOM 0 HA GLU A 23 93.490 -5.637 -7.096 1.00 0.00 H new ATOM 0 HB2 GLU A 23 95.628 -4.542 -8.933 1.00 0.00 H new ATOM 0 HB3 GLU A 23 95.244 -3.764 -7.410 1.00 0.00 H new ATOM 0 HG2 GLU A 23 95.574 -6.327 -6.555 1.00 0.00 H new ATOM 0 HG3 GLU A 23 96.654 -6.326 -7.935 1.00 0.00 H new ATOM 369 N ILE A 24 91.914 -3.768 -7.556 1.00 0.00 N ATOM 370 CA ILE A 24 91.066 -2.605 -7.729 1.00 0.00 C ATOM 371 C ILE A 24 91.413 -1.561 -6.677 1.00 0.00 C ATOM 372 O ILE A 24 91.059 -1.697 -5.510 1.00 0.00 O ATOM 373 CB ILE A 24 89.562 -2.955 -7.645 1.00 0.00 C ATOM 374 CG1 ILE A 24 89.185 -3.949 -8.747 1.00 0.00 C ATOM 375 CG2 ILE A 24 88.717 -1.693 -7.763 1.00 0.00 C ATOM 376 CD1 ILE A 24 87.729 -4.367 -8.726 1.00 0.00 C ATOM 0 H ILE A 24 91.675 -4.353 -6.755 1.00 0.00 H new ATOM 0 HA ILE A 24 91.250 -2.209 -8.728 1.00 0.00 H new ATOM 0 HB ILE A 24 89.367 -3.416 -6.677 1.00 0.00 H new ATOM 0 HG12 ILE A 24 89.411 -3.505 -9.716 1.00 0.00 H new ATOM 0 HG13 ILE A 24 89.809 -4.837 -8.650 1.00 0.00 H new ATOM 0 HG21 ILE A 24 87.661 -1.955 -7.702 1.00 0.00 H new ATOM 0 HG22 ILE A 24 88.968 -1.010 -6.952 1.00 0.00 H new ATOM 0 HG23 ILE A 24 88.916 -1.210 -8.720 1.00 0.00 H new ATOM 0 HD11 ILE A 24 87.541 -5.071 -9.536 1.00 0.00 H new ATOM 0 HD12 ILE A 24 87.501 -4.842 -7.772 1.00 0.00 H new ATOM 0 HD13 ILE A 24 87.096 -3.489 -8.855 1.00 0.00 H new ATOM 388 N HIS A 25 92.144 -0.542 -7.088 1.00 0.00 N ATOM 389 CA HIS A 25 92.526 0.527 -6.182 1.00 0.00 C ATOM 390 C HIS A 25 91.439 1.587 -6.172 1.00 0.00 C ATOM 391 O HIS A 25 91.096 2.144 -7.216 1.00 0.00 O ATOM 392 CB HIS A 25 93.873 1.134 -6.589 1.00 0.00 C ATOM 393 CG HIS A 25 95.041 0.205 -6.402 1.00 0.00 C ATOM 394 ND1 HIS A 25 96.004 0.396 -5.436 1.00 0.00 N ATOM 395 CD2 HIS A 25 95.404 -0.919 -7.071 1.00 0.00 C ATOM 396 CE1 HIS A 25 96.909 -0.563 -5.520 1.00 0.00 C ATOM 397 NE2 HIS A 25 96.569 -1.376 -6.501 1.00 0.00 N ATOM 0 H HIS A 25 92.485 -0.431 -8.043 1.00 0.00 H new ATOM 0 HA HIS A 25 92.640 0.119 -5.178 1.00 0.00 H new ATOM 0 HB2 HIS A 25 93.824 1.434 -7.636 1.00 0.00 H new ATOM 0 HB3 HIS A 25 94.044 2.039 -6.006 1.00 0.00 H new ATOM 0 HD2 HIS A 25 94.876 -1.371 -7.898 1.00 0.00 H new ATOM 0 HE1 HIS A 25 97.781 -0.664 -4.891 1.00 0.00 H new ATOM 0 HE2 HIS A 25 97.085 -2.207 -6.790 1.00 0.00 H new ATOM 406 N LEU A 26 90.879 1.840 -5.001 1.00 0.00 N ATOM 407 CA LEU A 26 89.762 2.762 -4.884 1.00 0.00 C ATOM 408 C LEU A 26 90.109 3.953 -4.011 1.00 0.00 C ATOM 409 O LEU A 26 91.168 4.005 -3.386 1.00 0.00 O ATOM 410 CB LEU A 26 88.533 2.051 -4.314 1.00 0.00 C ATOM 411 CG LEU A 26 87.850 1.068 -5.264 1.00 0.00 C ATOM 412 CD1 LEU A 26 86.659 0.416 -4.586 1.00 0.00 C ATOM 413 CD2 LEU A 26 87.409 1.775 -6.535 1.00 0.00 C ATOM 0 H LEU A 26 91.178 1.421 -4.120 1.00 0.00 H new ATOM 0 HA LEU A 26 89.538 3.125 -5.887 1.00 0.00 H new ATOM 0 HB2 LEU A 26 88.829 1.514 -3.413 1.00 0.00 H new ATOM 0 HB3 LEU A 26 87.805 2.804 -4.012 1.00 0.00 H new ATOM 0 HG LEU A 26 88.568 0.292 -5.529 1.00 0.00 H new ATOM 0 HD11 LEU A 26 86.184 -0.281 -5.276 1.00 0.00 H new ATOM 0 HD12 LEU A 26 86.995 -0.123 -3.700 1.00 0.00 H new ATOM 0 HD13 LEU A 26 85.942 1.183 -4.294 1.00 0.00 H new ATOM 0 HD21 LEU A 26 86.925 1.060 -7.200 1.00 0.00 H new ATOM 0 HD22 LEU A 26 86.707 2.570 -6.284 1.00 0.00 H new ATOM 0 HD23 LEU A 26 88.279 2.203 -7.034 1.00 0.00 H new ATOM 425 N LYS A 27 89.202 4.913 -3.989 1.00 0.00 N ATOM 426 CA LYS A 27 89.343 6.080 -3.143 1.00 0.00 C ATOM 427 C LYS A 27 88.919 5.729 -1.721 1.00 0.00 C ATOM 428 O LYS A 27 87.907 5.059 -1.526 1.00 0.00 O ATOM 429 CB LYS A 27 88.492 7.224 -3.694 1.00 0.00 C ATOM 430 CG LYS A 27 88.868 7.625 -5.111 1.00 0.00 C ATOM 431 CD LYS A 27 87.841 8.566 -5.712 1.00 0.00 C ATOM 432 CE LYS A 27 88.221 8.967 -7.127 1.00 0.00 C ATOM 433 NZ LYS A 27 87.143 9.743 -7.789 1.00 0.00 N ATOM 0 H LYS A 27 88.353 4.905 -4.554 1.00 0.00 H new ATOM 0 HA LYS A 27 90.384 6.401 -3.130 1.00 0.00 H new ATOM 0 HB2 LYS A 27 87.443 6.929 -3.674 1.00 0.00 H new ATOM 0 HB3 LYS A 27 88.593 8.090 -3.040 1.00 0.00 H new ATOM 0 HG2 LYS A 27 89.846 8.106 -5.107 1.00 0.00 H new ATOM 0 HG3 LYS A 27 88.954 6.733 -5.732 1.00 0.00 H new ATOM 0 HD2 LYS A 27 86.863 8.084 -5.718 1.00 0.00 H new ATOM 0 HD3 LYS A 27 87.753 9.457 -5.090 1.00 0.00 H new ATOM 0 HE2 LYS A 27 89.134 9.561 -7.103 1.00 0.00 H new ATOM 0 HE3 LYS A 27 88.437 8.073 -7.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 87.565 10.473 -8.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 86.560 9.104 -8.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 86.548 10.196 -7.067 1.00 0.00 H new ATOM 447 N PRO A 28 89.696 6.170 -0.720 1.00 0.00 N ATOM 448 CA PRO A 28 89.474 5.825 0.696 1.00 0.00 C ATOM 449 C PRO A 28 88.033 6.021 1.167 1.00 0.00 C ATOM 450 O PRO A 28 87.481 5.163 1.856 1.00 0.00 O ATOM 451 CB PRO A 28 90.422 6.770 1.431 1.00 0.00 C ATOM 452 CG PRO A 28 91.524 7.005 0.463 1.00 0.00 C ATOM 453 CD PRO A 28 90.878 7.033 -0.892 1.00 0.00 C ATOM 0 HA PRO A 28 89.659 4.767 0.881 1.00 0.00 H new ATOM 0 HB2 PRO A 28 89.925 7.701 1.703 1.00 0.00 H new ATOM 0 HB3 PRO A 28 90.791 6.325 2.355 1.00 0.00 H new ATOM 0 HG2 PRO A 28 92.035 7.945 0.672 1.00 0.00 H new ATOM 0 HG3 PRO A 28 92.273 6.215 0.523 1.00 0.00 H new ATOM 0 HD2 PRO A 28 90.598 8.045 -1.184 1.00 0.00 H new ATOM 0 HD3 PRO A 28 91.546 6.652 -1.664 1.00 0.00 H new ATOM 461 N GLU A 29 87.422 7.135 0.788 1.00 0.00 N ATOM 462 CA GLU A 29 86.054 7.419 1.200 1.00 0.00 C ATOM 463 C GLU A 29 85.073 6.444 0.550 1.00 0.00 C ATOM 464 O GLU A 29 84.103 6.016 1.175 1.00 0.00 O ATOM 465 CB GLU A 29 85.685 8.865 0.873 1.00 0.00 C ATOM 466 CG GLU A 29 86.489 9.876 1.673 1.00 0.00 C ATOM 467 CD GLU A 29 86.039 11.300 1.443 1.00 0.00 C ATOM 468 OE1 GLU A 29 84.991 11.692 1.999 1.00 0.00 O ATOM 469 OE2 GLU A 29 86.732 12.035 0.709 1.00 0.00 O ATOM 0 H GLU A 29 87.848 7.852 0.200 1.00 0.00 H new ATOM 0 HA GLU A 29 85.989 7.286 2.280 1.00 0.00 H new ATOM 0 HB2 GLU A 29 85.842 9.043 -0.191 1.00 0.00 H new ATOM 0 HB3 GLU A 29 84.623 9.017 1.068 1.00 0.00 H new ATOM 0 HG2 GLU A 29 86.406 9.641 2.734 1.00 0.00 H new ATOM 0 HG3 GLU A 29 87.543 9.786 1.408 1.00 0.00 H new ATOM 476 N VAL A 30 85.347 6.078 -0.697 1.00 0.00 N ATOM 477 CA VAL A 30 84.527 5.102 -1.405 1.00 0.00 C ATOM 478 C VAL A 30 84.710 3.721 -0.782 1.00 0.00 C ATOM 479 O VAL A 30 83.743 2.995 -0.550 1.00 0.00 O ATOM 480 CB VAL A 30 84.898 5.033 -2.904 1.00 0.00 C ATOM 481 CG1 VAL A 30 83.962 4.095 -3.653 1.00 0.00 C ATOM 482 CG2 VAL A 30 84.883 6.420 -3.526 1.00 0.00 C ATOM 0 H VAL A 30 86.131 6.442 -1.239 1.00 0.00 H new ATOM 0 HA VAL A 30 83.487 5.418 -1.319 1.00 0.00 H new ATOM 0 HB VAL A 30 85.909 4.634 -2.984 1.00 0.00 H new ATOM 0 HG11 VAL A 30 84.244 4.064 -4.705 1.00 0.00 H new ATOM 0 HG12 VAL A 30 84.034 3.094 -3.228 1.00 0.00 H new ATOM 0 HG13 VAL A 30 82.937 4.455 -3.562 1.00 0.00 H new ATOM 0 HG21 VAL A 30 85.147 6.348 -4.581 1.00 0.00 H new ATOM 0 HG22 VAL A 30 83.887 6.851 -3.430 1.00 0.00 H new ATOM 0 HG23 VAL A 30 85.605 7.056 -3.014 1.00 0.00 H new ATOM 492 N PHE A 31 85.966 3.390 -0.497 1.00 0.00 N ATOM 493 CA PHE A 31 86.329 2.113 0.106 1.00 0.00 C ATOM 494 C PHE A 31 85.578 1.891 1.414 1.00 0.00 C ATOM 495 O PHE A 31 85.038 0.815 1.649 1.00 0.00 O ATOM 496 CB PHE A 31 87.841 2.073 0.352 1.00 0.00 C ATOM 497 CG PHE A 31 88.334 0.813 1.008 1.00 0.00 C ATOM 498 CD1 PHE A 31 88.557 -0.332 0.261 1.00 0.00 C ATOM 499 CD2 PHE A 31 88.583 0.776 2.372 1.00 0.00 C ATOM 500 CE1 PHE A 31 89.020 -1.487 0.860 1.00 0.00 C ATOM 501 CE2 PHE A 31 89.046 -0.377 2.976 1.00 0.00 C ATOM 502 CZ PHE A 31 89.262 -1.511 2.219 1.00 0.00 C ATOM 0 H PHE A 31 86.762 4.002 -0.678 1.00 0.00 H new ATOM 0 HA PHE A 31 86.051 1.314 -0.581 1.00 0.00 H new ATOM 0 HB2 PHE A 31 88.355 2.196 -0.602 1.00 0.00 H new ATOM 0 HB3 PHE A 31 88.117 2.924 0.975 1.00 0.00 H new ATOM 0 HD1 PHE A 31 88.367 -0.321 -0.802 1.00 0.00 H new ATOM 0 HD2 PHE A 31 88.413 1.660 2.969 1.00 0.00 H new ATOM 0 HE1 PHE A 31 89.193 -2.372 0.265 1.00 0.00 H new ATOM 0 HE2 PHE A 31 89.239 -0.391 4.039 1.00 0.00 H new ATOM 0 HZ PHE A 31 89.620 -2.415 2.689 1.00 0.00 H new ATOM 512 N TYR A 32 85.540 2.923 2.250 1.00 0.00 N ATOM 513 CA TYR A 32 84.882 2.843 3.552 1.00 0.00 C ATOM 514 C TYR A 32 83.410 2.455 3.407 1.00 0.00 C ATOM 515 O TYR A 32 82.882 1.665 4.196 1.00 0.00 O ATOM 516 CB TYR A 32 85.004 4.184 4.283 1.00 0.00 C ATOM 517 CG TYR A 32 84.435 4.177 5.685 1.00 0.00 C ATOM 518 CD1 TYR A 32 85.166 3.661 6.748 1.00 0.00 C ATOM 519 CD2 TYR A 32 83.168 4.688 5.948 1.00 0.00 C ATOM 520 CE1 TYR A 32 84.654 3.655 8.030 1.00 0.00 C ATOM 521 CE2 TYR A 32 82.650 4.685 7.228 1.00 0.00 C ATOM 522 CZ TYR A 32 83.397 4.168 8.265 1.00 0.00 C ATOM 523 OH TYR A 32 82.884 4.162 9.543 1.00 0.00 O ATOM 0 H TYR A 32 85.960 3.831 2.049 1.00 0.00 H new ATOM 0 HA TYR A 32 85.378 2.067 4.136 1.00 0.00 H new ATOM 0 HB2 TYR A 32 86.056 4.465 4.331 1.00 0.00 H new ATOM 0 HB3 TYR A 32 84.495 4.951 3.700 1.00 0.00 H new ATOM 0 HD1 TYR A 32 86.152 3.258 6.568 1.00 0.00 H new ATOM 0 HD2 TYR A 32 82.580 5.094 5.138 1.00 0.00 H new ATOM 0 HE1 TYR A 32 85.236 3.250 8.845 1.00 0.00 H new ATOM 0 HE2 TYR A 32 81.665 5.086 7.416 1.00 0.00 H new ATOM 0 HH TYR A 32 81.988 4.560 9.538 1.00 0.00 H new ATOM 533 N GLU A 33 82.758 3.000 2.389 1.00 0.00 N ATOM 534 CA GLU A 33 81.341 2.740 2.160 1.00 0.00 C ATOM 535 C GLU A 33 81.130 1.360 1.543 1.00 0.00 C ATOM 536 O GLU A 33 80.223 0.628 1.941 1.00 0.00 O ATOM 537 CB GLU A 33 80.739 3.825 1.265 1.00 0.00 C ATOM 538 CG GLU A 33 80.828 5.220 1.868 1.00 0.00 C ATOM 539 CD GLU A 33 80.167 6.277 1.009 1.00 0.00 C ATOM 540 OE1 GLU A 33 78.946 6.495 1.163 1.00 0.00 O ATOM 541 OE2 GLU A 33 80.862 6.898 0.182 1.00 0.00 O ATOM 0 H GLU A 33 83.187 3.626 1.707 1.00 0.00 H new ATOM 0 HA GLU A 33 80.832 2.759 3.124 1.00 0.00 H new ATOM 0 HB2 GLU A 33 81.252 3.819 0.303 1.00 0.00 H new ATOM 0 HB3 GLU A 33 79.693 3.587 1.070 1.00 0.00 H new ATOM 0 HG2 GLU A 33 80.361 5.215 2.853 1.00 0.00 H new ATOM 0 HG3 GLU A 33 81.876 5.481 2.014 1.00 0.00 H new ATOM 548 N VAL A 34 81.976 1.002 0.582 1.00 0.00 N ATOM 549 CA VAL A 34 81.895 -0.306 -0.064 1.00 0.00 C ATOM 550 C VAL A 34 82.212 -1.418 0.936 1.00 0.00 C ATOM 551 O VAL A 34 81.594 -2.484 0.911 1.00 0.00 O ATOM 552 CB VAL A 34 82.852 -0.402 -1.274 1.00 0.00 C ATOM 553 CG1 VAL A 34 82.813 -1.789 -1.898 1.00 0.00 C ATOM 554 CG2 VAL A 34 82.507 0.654 -2.313 1.00 0.00 C ATOM 0 H VAL A 34 82.726 1.599 0.233 1.00 0.00 H new ATOM 0 HA VAL A 34 80.874 -0.428 -0.427 1.00 0.00 H new ATOM 0 HB VAL A 34 83.865 -0.222 -0.913 1.00 0.00 H new ATOM 0 HG11 VAL A 34 83.496 -1.826 -2.746 1.00 0.00 H new ATOM 0 HG12 VAL A 34 83.114 -2.530 -1.157 1.00 0.00 H new ATOM 0 HG13 VAL A 34 81.800 -2.007 -2.238 1.00 0.00 H new ATOM 0 HG21 VAL A 34 83.191 0.571 -3.157 1.00 0.00 H new ATOM 0 HG22 VAL A 34 81.484 0.504 -2.659 1.00 0.00 H new ATOM 0 HG23 VAL A 34 82.598 1.645 -1.869 1.00 0.00 H new ATOM 564 N TRP A 35 83.161 -1.146 1.823 1.00 0.00 N ATOM 565 CA TRP A 35 83.542 -2.082 2.873 1.00 0.00 C ATOM 566 C TRP A 35 82.322 -2.505 3.686 1.00 0.00 C ATOM 567 O TRP A 35 82.034 -3.693 3.808 1.00 0.00 O ATOM 568 CB TRP A 35 84.602 -1.436 3.775 1.00 0.00 C ATOM 569 CG TRP A 35 85.005 -2.264 4.959 1.00 0.00 C ATOM 570 CD1 TRP A 35 85.361 -3.583 4.965 1.00 0.00 C ATOM 571 CD2 TRP A 35 85.114 -1.813 6.313 1.00 0.00 C ATOM 572 NE1 TRP A 35 85.671 -3.981 6.245 1.00 0.00 N ATOM 573 CE2 TRP A 35 85.530 -2.911 7.088 1.00 0.00 C ATOM 574 CE3 TRP A 35 84.896 -0.586 6.945 1.00 0.00 C ATOM 575 CZ2 TRP A 35 85.732 -2.818 8.463 1.00 0.00 C ATOM 576 CZ3 TRP A 35 85.098 -0.493 8.309 1.00 0.00 C ATOM 577 CH2 TRP A 35 85.513 -1.602 9.056 1.00 0.00 C ATOM 0 H TRP A 35 83.687 -0.272 1.835 1.00 0.00 H new ATOM 0 HA TRP A 35 83.964 -2.978 2.417 1.00 0.00 H new ATOM 0 HB2 TRP A 35 85.489 -1.225 3.177 1.00 0.00 H new ATOM 0 HB3 TRP A 35 84.222 -0.478 4.131 1.00 0.00 H new ATOM 0 HD1 TRP A 35 85.394 -4.220 4.093 1.00 0.00 H new ATOM 0 HE1 TRP A 35 85.959 -4.920 6.521 1.00 0.00 H new ATOM 0 HE3 TRP A 35 84.575 0.275 6.377 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 86.050 -3.673 9.041 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 84.933 0.451 8.807 1.00 0.00 H new ATOM 0 HH2 TRP A 35 85.663 -1.497 10.120 1.00 0.00 H new ATOM 588 N LYS A 36 81.586 -1.533 4.206 1.00 0.00 N ATOM 589 CA LYS A 36 80.399 -1.828 5.002 1.00 0.00 C ATOM 590 C LYS A 36 79.260 -2.348 4.126 1.00 0.00 C ATOM 591 O LYS A 36 78.403 -3.098 4.594 1.00 0.00 O ATOM 592 CB LYS A 36 79.953 -0.591 5.784 1.00 0.00 C ATOM 593 CG LYS A 36 80.897 -0.222 6.917 1.00 0.00 C ATOM 594 CD LYS A 36 80.401 0.988 7.689 1.00 0.00 C ATOM 595 CE LYS A 36 81.248 1.248 8.925 1.00 0.00 C ATOM 596 NZ LYS A 36 81.114 0.164 9.937 1.00 0.00 N ATOM 0 H LYS A 36 81.786 -0.539 4.093 1.00 0.00 H new ATOM 0 HA LYS A 36 80.660 -2.612 5.713 1.00 0.00 H new ATOM 0 HB2 LYS A 36 79.871 0.253 5.099 1.00 0.00 H new ATOM 0 HB3 LYS A 36 78.958 -0.767 6.193 1.00 0.00 H new ATOM 0 HG2 LYS A 36 81.000 -1.069 7.595 1.00 0.00 H new ATOM 0 HG3 LYS A 36 81.888 -0.015 6.512 1.00 0.00 H new ATOM 0 HD2 LYS A 36 80.420 1.866 7.043 1.00 0.00 H new ATOM 0 HD3 LYS A 36 79.363 0.832 7.984 1.00 0.00 H new ATOM 0 HE2 LYS A 36 82.294 1.343 8.633 1.00 0.00 H new ATOM 0 HE3 LYS A 36 80.954 2.198 9.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 81.554 0.466 10.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 80.107 -0.038 10.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 81.588 -0.695 9.591 1.00 0.00 H new ATOM 610 N TYR A 37 79.266 -1.964 2.853 1.00 0.00 N ATOM 611 CA TYR A 37 78.242 -2.413 1.913 1.00 0.00 C ATOM 612 C TYR A 37 78.298 -3.927 1.726 1.00 0.00 C ATOM 613 O TYR A 37 77.264 -4.588 1.634 1.00 0.00 O ATOM 614 CB TYR A 37 78.406 -1.716 0.556 1.00 0.00 C ATOM 615 CG TYR A 37 77.396 -2.161 -0.482 1.00 0.00 C ATOM 616 CD1 TYR A 37 76.055 -1.823 -0.358 1.00 0.00 C ATOM 617 CD2 TYR A 37 77.780 -2.927 -1.581 1.00 0.00 C ATOM 618 CE1 TYR A 37 75.127 -2.229 -1.295 1.00 0.00 C ATOM 619 CE2 TYR A 37 76.856 -3.335 -2.522 1.00 0.00 C ATOM 620 CZ TYR A 37 75.532 -2.986 -2.372 1.00 0.00 C ATOM 621 OH TYR A 37 74.607 -3.393 -3.306 1.00 0.00 O ATOM 0 H TYR A 37 79.967 -1.344 2.448 1.00 0.00 H new ATOM 0 HA TYR A 37 77.271 -2.148 2.331 1.00 0.00 H new ATOM 0 HB2 TYR A 37 78.318 -0.639 0.698 1.00 0.00 H new ATOM 0 HB3 TYR A 37 79.410 -1.907 0.178 1.00 0.00 H new ATOM 0 HD1 TYR A 37 75.733 -1.232 0.487 1.00 0.00 H new ATOM 0 HD2 TYR A 37 78.817 -3.206 -1.698 1.00 0.00 H new ATOM 0 HE1 TYR A 37 74.088 -1.955 -1.184 1.00 0.00 H new ATOM 0 HE2 TYR A 37 77.169 -3.924 -3.371 1.00 0.00 H new ATOM 0 HH TYR A 37 75.054 -3.917 -4.003 1.00 0.00 H new ATOM 631 N VAL A 38 79.506 -4.475 1.689 1.00 0.00 N ATOM 632 CA VAL A 38 79.686 -5.905 1.458 1.00 0.00 C ATOM 633 C VAL A 38 79.653 -6.699 2.765 1.00 0.00 C ATOM 634 O VAL A 38 79.971 -7.888 2.789 1.00 0.00 O ATOM 635 CB VAL A 38 81.001 -6.196 0.702 1.00 0.00 C ATOM 636 CG1 VAL A 38 81.012 -5.474 -0.636 1.00 0.00 C ATOM 637 CG2 VAL A 38 82.215 -5.804 1.531 1.00 0.00 C ATOM 0 H VAL A 38 80.374 -3.954 1.815 1.00 0.00 H new ATOM 0 HA VAL A 38 78.849 -6.227 0.838 1.00 0.00 H new ATOM 0 HB VAL A 38 81.055 -7.270 0.522 1.00 0.00 H new ATOM 0 HG11 VAL A 38 81.945 -5.688 -1.157 1.00 0.00 H new ATOM 0 HG12 VAL A 38 80.172 -5.815 -1.240 1.00 0.00 H new ATOM 0 HG13 VAL A 38 80.927 -4.400 -0.471 1.00 0.00 H new ATOM 0 HG21 VAL A 38 83.124 -6.022 0.970 1.00 0.00 H new ATOM 0 HG22 VAL A 38 82.174 -4.738 1.756 1.00 0.00 H new ATOM 0 HG23 VAL A 38 82.218 -6.371 2.462 1.00 0.00 H new ATOM 647 N GLY A 39 79.262 -6.038 3.848 1.00 0.00 N ATOM 648 CA GLY A 39 79.115 -6.724 5.120 1.00 0.00 C ATOM 649 C GLY A 39 80.299 -6.518 6.042 1.00 0.00 C ATOM 650 O GLY A 39 80.380 -7.155 7.092 1.00 0.00 O ATOM 0 H GLY A 39 79.044 -5.042 3.869 1.00 0.00 H new ATOM 0 HA2 GLY A 39 78.210 -6.371 5.615 1.00 0.00 H new ATOM 0 HA3 GLY A 39 78.984 -7.791 4.939 1.00 0.00 H new ATOM 654 N GLU A 40 81.202 -5.620 5.634 1.00 0.00 N ATOM 655 CA GLU A 40 82.411 -5.254 6.392 1.00 0.00 C ATOM 656 C GLU A 40 83.104 -6.457 7.049 1.00 0.00 C ATOM 657 O GLU A 40 82.915 -6.742 8.234 1.00 0.00 O ATOM 658 CB GLU A 40 82.119 -4.141 7.416 1.00 0.00 C ATOM 659 CG GLU A 40 80.963 -4.427 8.361 1.00 0.00 C ATOM 660 CD GLU A 40 80.687 -3.288 9.318 1.00 0.00 C ATOM 661 OE1 GLU A 40 81.475 -2.326 9.355 1.00 0.00 O ATOM 662 OE2 GLU A 40 79.668 -3.354 10.040 1.00 0.00 O ATOM 0 H GLU A 40 81.115 -5.116 4.752 1.00 0.00 H new ATOM 0 HA GLU A 40 83.118 -4.863 5.661 1.00 0.00 H new ATOM 0 HB2 GLU A 40 83.018 -3.967 8.007 1.00 0.00 H new ATOM 0 HB3 GLU A 40 81.908 -3.218 6.877 1.00 0.00 H new ATOM 0 HG2 GLU A 40 80.065 -4.630 7.777 1.00 0.00 H new ATOM 0 HG3 GLU A 40 81.182 -5.329 8.932 1.00 0.00 H new ATOM 669 N PRO A 41 83.907 -7.191 6.263 1.00 0.00 N ATOM 670 CA PRO A 41 84.705 -8.305 6.762 1.00 0.00 C ATOM 671 C PRO A 41 86.072 -7.844 7.267 1.00 0.00 C ATOM 672 O PRO A 41 86.316 -6.643 7.414 1.00 0.00 O ATOM 673 CB PRO A 41 84.855 -9.179 5.521 1.00 0.00 C ATOM 674 CG PRO A 41 84.890 -8.212 4.382 1.00 0.00 C ATOM 675 CD PRO A 41 84.092 -7.002 4.811 1.00 0.00 C ATOM 0 HA PRO A 41 84.247 -8.812 7.611 1.00 0.00 H new ATOM 0 HB2 PRO A 41 85.767 -9.775 5.563 1.00 0.00 H new ATOM 0 HB3 PRO A 41 84.023 -9.876 5.424 1.00 0.00 H new ATOM 0 HG2 PRO A 41 85.916 -7.933 4.143 1.00 0.00 H new ATOM 0 HG3 PRO A 41 84.463 -8.658 3.483 1.00 0.00 H new ATOM 0 HD2 PRO A 41 84.624 -6.076 4.594 1.00 0.00 H new ATOM 0 HD3 PRO A 41 83.136 -6.950 4.290 1.00 0.00 H new ATOM 683 N GLU A 42 86.961 -8.795 7.525 1.00 0.00 N ATOM 684 CA GLU A 42 88.301 -8.472 7.992 1.00 0.00 C ATOM 685 C GLU A 42 89.161 -7.955 6.846 1.00 0.00 C ATOM 686 O GLU A 42 89.141 -8.501 5.740 1.00 0.00 O ATOM 687 CB GLU A 42 88.960 -9.693 8.633 1.00 0.00 C ATOM 688 CG GLU A 42 88.249 -10.184 9.883 1.00 0.00 C ATOM 689 CD GLU A 42 88.097 -9.101 10.931 1.00 0.00 C ATOM 690 OE1 GLU A 42 89.039 -8.304 11.117 1.00 0.00 O ATOM 691 OE2 GLU A 42 87.036 -9.051 11.588 1.00 0.00 O ATOM 0 H GLU A 42 86.778 -9.793 7.419 1.00 0.00 H new ATOM 0 HA GLU A 42 88.215 -7.688 8.744 1.00 0.00 H new ATOM 0 HB2 GLU A 42 88.994 -10.502 7.903 1.00 0.00 H new ATOM 0 HB3 GLU A 42 89.992 -9.448 8.885 1.00 0.00 H new ATOM 0 HG2 GLU A 42 87.263 -10.562 9.611 1.00 0.00 H new ATOM 0 HG3 GLU A 42 88.805 -11.020 10.308 1.00 0.00 H new ATOM 698 N LEU A 43 89.907 -6.899 7.121 1.00 0.00 N ATOM 699 CA LEU A 43 90.763 -6.281 6.122 1.00 0.00 C ATOM 700 C LEU A 43 92.193 -6.783 6.254 1.00 0.00 C ATOM 701 O LEU A 43 92.667 -7.072 7.356 1.00 0.00 O ATOM 702 CB LEU A 43 90.723 -4.759 6.265 1.00 0.00 C ATOM 703 CG LEU A 43 89.357 -4.117 6.007 1.00 0.00 C ATOM 704 CD1 LEU A 43 89.415 -2.618 6.255 1.00 0.00 C ATOM 705 CD2 LEU A 43 88.897 -4.400 4.585 1.00 0.00 C ATOM 0 H LEU A 43 89.937 -6.448 8.036 1.00 0.00 H new ATOM 0 HA LEU A 43 90.393 -6.554 5.134 1.00 0.00 H new ATOM 0 HB2 LEU A 43 91.046 -4.496 7.272 1.00 0.00 H new ATOM 0 HB3 LEU A 43 91.447 -4.326 5.575 1.00 0.00 H new ATOM 0 HG LEU A 43 88.637 -4.554 6.699 1.00 0.00 H new ATOM 0 HD11 LEU A 43 88.435 -2.180 6.066 1.00 0.00 H new ATOM 0 HD12 LEU A 43 89.703 -2.431 7.290 1.00 0.00 H new ATOM 0 HD13 LEU A 43 90.149 -2.167 5.587 1.00 0.00 H new ATOM 0 HD21 LEU A 43 87.925 -3.937 4.418 1.00 0.00 H new ATOM 0 HD22 LEU A 43 89.620 -3.990 3.880 1.00 0.00 H new ATOM 0 HD23 LEU A 43 88.816 -5.477 4.436 1.00 0.00 H new ATOM 717 N LYS A 44 92.878 -6.886 5.127 1.00 0.00 N ATOM 718 CA LYS A 44 94.247 -7.368 5.107 1.00 0.00 C ATOM 719 C LYS A 44 95.186 -6.227 4.732 1.00 0.00 C ATOM 720 O LYS A 44 95.083 -5.653 3.648 1.00 0.00 O ATOM 721 CB LYS A 44 94.367 -8.531 4.116 1.00 0.00 C ATOM 722 CG LYS A 44 95.676 -9.296 4.206 1.00 0.00 C ATOM 723 CD LYS A 44 95.623 -10.570 3.377 1.00 0.00 C ATOM 724 CE LYS A 44 96.905 -11.378 3.492 1.00 0.00 C ATOM 725 NZ LYS A 44 98.065 -10.681 2.881 1.00 0.00 N ATOM 0 H LYS A 44 92.505 -6.641 4.210 1.00 0.00 H new ATOM 0 HA LYS A 44 94.527 -7.730 6.096 1.00 0.00 H new ATOM 0 HB2 LYS A 44 93.543 -9.224 4.285 1.00 0.00 H new ATOM 0 HB3 LYS A 44 94.255 -8.143 3.103 1.00 0.00 H new ATOM 0 HG2 LYS A 44 96.494 -8.665 3.858 1.00 0.00 H new ATOM 0 HG3 LYS A 44 95.885 -9.544 5.247 1.00 0.00 H new ATOM 0 HD2 LYS A 44 94.780 -11.179 3.702 1.00 0.00 H new ATOM 0 HD3 LYS A 44 95.448 -10.315 2.332 1.00 0.00 H new ATOM 0 HE2 LYS A 44 97.115 -11.575 4.543 1.00 0.00 H new ATOM 0 HE3 LYS A 44 96.768 -12.345 3.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 98.858 -11.347 2.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 97.798 -10.320 1.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 98.352 -9.887 3.488 1.00 0.00 H new ATOM 739 N THR A 45 96.089 -5.891 5.638 1.00 0.00 N ATOM 740 CA THR A 45 96.990 -4.766 5.437 1.00 0.00 C ATOM 741 C THR A 45 98.395 -5.241 5.096 1.00 0.00 C ATOM 742 O THR A 45 98.870 -6.233 5.647 1.00 0.00 O ATOM 743 CB THR A 45 97.051 -3.874 6.693 1.00 0.00 C ATOM 744 OG1 THR A 45 97.360 -4.667 7.848 1.00 0.00 O ATOM 745 CG2 THR A 45 95.732 -3.153 6.912 1.00 0.00 C ATOM 0 H THR A 45 96.219 -6.382 6.523 1.00 0.00 H new ATOM 0 HA THR A 45 96.596 -4.186 4.602 1.00 0.00 H new ATOM 0 HB THR A 45 97.834 -3.131 6.541 1.00 0.00 H new ATOM 0 HG1 THR A 45 97.242 -4.127 8.657 1.00 0.00 H new ATOM 0 HG21 THR A 45 95.801 -2.531 7.804 1.00 0.00 H new ATOM 0 HG22 THR A 45 95.512 -2.526 6.048 1.00 0.00 H new ATOM 0 HG23 THR A 45 94.934 -3.885 7.041 1.00 0.00 H new ATOM 753 N TYR A 46 99.059 -4.533 4.197 1.00 0.00 N ATOM 754 CA TYR A 46 100.424 -4.869 3.829 1.00 0.00 C ATOM 755 C TYR A 46 101.310 -3.630 3.898 1.00 0.00 C ATOM 756 O TYR A 46 100.836 -2.504 3.721 1.00 0.00 O ATOM 757 CB TYR A 46 100.479 -5.488 2.425 1.00 0.00 C ATOM 758 CG TYR A 46 100.176 -4.520 1.297 1.00 0.00 C ATOM 759 CD1 TYR A 46 98.878 -4.100 1.043 1.00 0.00 C ATOM 760 CD2 TYR A 46 101.193 -4.038 0.481 1.00 0.00 C ATOM 761 CE1 TYR A 46 98.600 -3.224 0.010 1.00 0.00 C ATOM 762 CE2 TYR A 46 100.923 -3.161 -0.552 1.00 0.00 C ATOM 763 CZ TYR A 46 99.626 -2.758 -0.784 1.00 0.00 C ATOM 764 OH TYR A 46 99.350 -1.888 -1.814 1.00 0.00 O ATOM 0 H TYR A 46 98.675 -3.723 3.709 1.00 0.00 H new ATOM 0 HA TYR A 46 100.796 -5.608 4.539 1.00 0.00 H new ATOM 0 HB2 TYR A 46 101.471 -5.911 2.267 1.00 0.00 H new ATOM 0 HB3 TYR A 46 99.769 -6.314 2.378 1.00 0.00 H new ATOM 0 HD1 TYR A 46 98.071 -4.463 1.663 1.00 0.00 H new ATOM 0 HD2 TYR A 46 102.211 -4.354 0.657 1.00 0.00 H new ATOM 0 HE1 TYR A 46 97.584 -2.906 -0.174 1.00 0.00 H new ATOM 0 HE2 TYR A 46 101.725 -2.793 -1.175 1.00 0.00 H new ATOM 0 HH TYR A 46 100.182 -1.654 -2.276 1.00 0.00 H new ATOM 774 N VAL A 47 102.585 -3.845 4.170 1.00 0.00 N ATOM 775 CA VAL A 47 103.551 -2.760 4.218 1.00 0.00 C ATOM 776 C VAL A 47 104.454 -2.825 2.995 1.00 0.00 C ATOM 777 O VAL A 47 104.992 -3.884 2.669 1.00 0.00 O ATOM 778 CB VAL A 47 104.427 -2.826 5.492 1.00 0.00 C ATOM 779 CG1 VAL A 47 105.356 -1.624 5.571 1.00 0.00 C ATOM 780 CG2 VAL A 47 103.566 -2.913 6.743 1.00 0.00 C ATOM 0 H VAL A 47 102.978 -4.767 4.362 1.00 0.00 H new ATOM 0 HA VAL A 47 102.994 -1.823 4.233 1.00 0.00 H new ATOM 0 HB VAL A 47 105.034 -3.729 5.433 1.00 0.00 H new ATOM 0 HG11 VAL A 47 105.962 -1.691 6.474 1.00 0.00 H new ATOM 0 HG12 VAL A 47 106.007 -1.610 4.697 1.00 0.00 H new ATOM 0 HG13 VAL A 47 104.765 -0.709 5.598 1.00 0.00 H new ATOM 0 HG21 VAL A 47 104.207 -2.958 7.623 1.00 0.00 H new ATOM 0 HG22 VAL A 47 102.925 -2.034 6.805 1.00 0.00 H new ATOM 0 HG23 VAL A 47 102.948 -3.810 6.698 1.00 0.00 H new ATOM 790 N ILE A 48 104.602 -1.707 2.311 1.00 0.00 N ATOM 791 CA ILE A 48 105.483 -1.641 1.160 1.00 0.00 C ATOM 792 C ILE A 48 106.487 -0.504 1.319 1.00 0.00 C ATOM 793 O ILE A 48 106.122 0.673 1.338 1.00 0.00 O ATOM 794 CB ILE A 48 104.689 -1.492 -0.164 1.00 0.00 C ATOM 795 CG1 ILE A 48 105.642 -1.237 -1.340 1.00 0.00 C ATOM 796 CG2 ILE A 48 103.643 -0.387 -0.059 1.00 0.00 C ATOM 797 CD1 ILE A 48 104.946 -1.134 -2.680 1.00 0.00 C ATOM 0 H ILE A 48 104.125 -0.833 2.531 1.00 0.00 H new ATOM 0 HA ILE A 48 106.028 -2.583 1.108 1.00 0.00 H new ATOM 0 HB ILE A 48 104.162 -2.428 -0.348 1.00 0.00 H new ATOM 0 HG12 ILE A 48 106.193 -0.315 -1.156 1.00 0.00 H new ATOM 0 HG13 ILE A 48 106.375 -2.043 -1.383 1.00 0.00 H new ATOM 0 HG21 ILE A 48 103.103 -0.307 -1.002 1.00 0.00 H new ATOM 0 HG22 ILE A 48 102.942 -0.624 0.741 1.00 0.00 H new ATOM 0 HG23 ILE A 48 104.135 0.561 0.159 1.00 0.00 H new ATOM 0 HD11 ILE A 48 105.685 -0.953 -3.461 1.00 0.00 H new ATOM 0 HD12 ILE A 48 104.418 -2.065 -2.888 1.00 0.00 H new ATOM 0 HD13 ILE A 48 104.233 -0.310 -2.657 1.00 0.00 H new ATOM 809 N GLU A 49 107.750 -0.866 1.485 1.00 0.00 N ATOM 810 CA GLU A 49 108.813 0.119 1.591 1.00 0.00 C ATOM 811 C GLU A 49 109.224 0.593 0.205 1.00 0.00 C ATOM 812 O GLU A 49 109.999 -0.069 -0.490 1.00 0.00 O ATOM 813 CB GLU A 49 110.033 -0.444 2.324 1.00 0.00 C ATOM 814 CG GLU A 49 109.705 -1.228 3.584 1.00 0.00 C ATOM 815 CD GLU A 49 109.490 -2.703 3.310 1.00 0.00 C ATOM 816 OE1 GLU A 49 110.481 -3.465 3.335 1.00 0.00 O ATOM 817 OE2 GLU A 49 108.340 -3.113 3.072 1.00 0.00 O ATOM 0 H GLU A 49 108.063 -1.835 1.549 1.00 0.00 H new ATOM 0 HA GLU A 49 108.429 0.959 2.169 1.00 0.00 H new ATOM 0 HB2 GLU A 49 110.584 -1.091 1.642 1.00 0.00 H new ATOM 0 HB3 GLU A 49 110.696 0.381 2.587 1.00 0.00 H new ATOM 0 HG2 GLU A 49 110.516 -1.110 4.303 1.00 0.00 H new ATOM 0 HG3 GLU A 49 108.808 -0.813 4.043 1.00 0.00 H new ATOM 1177 N LYS A 72 108.198 3.606 3.944 1.00 0.00 N ATOM 1178 CA LYS A 72 107.483 2.387 4.282 1.00 0.00 C ATOM 1179 C LYS A 72 106.028 2.721 4.578 1.00 0.00 C ATOM 1180 O LYS A 72 105.689 3.202 5.660 1.00 0.00 O ATOM 1181 CB LYS A 72 108.150 1.679 5.471 1.00 0.00 C ATOM 1182 CG LYS A 72 108.404 2.580 6.671 1.00 0.00 C ATOM 1183 CD LYS A 72 109.133 1.836 7.776 1.00 0.00 C ATOM 1184 CE LYS A 72 109.358 2.717 8.994 1.00 0.00 C ATOM 1185 NZ LYS A 72 108.081 3.173 9.602 1.00 0.00 N ATOM 0 HA LYS A 72 107.517 1.700 3.436 1.00 0.00 H new ATOM 0 HB2 LYS A 72 107.520 0.846 5.783 1.00 0.00 H new ATOM 0 HB3 LYS A 72 109.099 1.255 5.142 1.00 0.00 H new ATOM 0 HG2 LYS A 72 108.993 3.444 6.362 1.00 0.00 H new ATOM 0 HG3 LYS A 72 107.455 2.960 7.050 1.00 0.00 H new ATOM 0 HD2 LYS A 72 108.557 0.957 8.064 1.00 0.00 H new ATOM 0 HD3 LYS A 72 110.093 1.479 7.403 1.00 0.00 H new ATOM 0 HE2 LYS A 72 109.935 2.166 9.737 1.00 0.00 H new ATOM 0 HE3 LYS A 72 109.952 3.585 8.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 108.269 3.579 10.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 107.645 3.895 8.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 107.434 2.364 9.698 1.00 0.00 H new ATOM 1199 N ILE A 73 105.169 2.512 3.595 1.00 0.00 N ATOM 1200 CA ILE A 73 103.770 2.879 3.729 1.00 0.00 C ATOM 1201 C ILE A 73 102.898 1.642 3.928 1.00 0.00 C ATOM 1202 O ILE A 73 103.098 0.607 3.286 1.00 0.00 O ATOM 1203 CB ILE A 73 103.279 3.705 2.513 1.00 0.00 C ATOM 1204 CG1 ILE A 73 101.801 4.078 2.668 1.00 0.00 C ATOM 1205 CG2 ILE A 73 103.511 2.946 1.214 1.00 0.00 C ATOM 1206 CD1 ILE A 73 101.283 4.994 1.581 1.00 0.00 C ATOM 0 H ILE A 73 105.415 2.092 2.699 1.00 0.00 H new ATOM 0 HA ILE A 73 103.681 3.508 4.615 1.00 0.00 H new ATOM 0 HB ILE A 73 103.859 4.627 2.475 1.00 0.00 H new ATOM 0 HG12 ILE A 73 101.205 3.165 2.675 1.00 0.00 H new ATOM 0 HG13 ILE A 73 101.657 4.560 3.635 1.00 0.00 H new ATOM 0 HG21 ILE A 73 103.159 3.545 0.375 1.00 0.00 H new ATOM 0 HG22 ILE A 73 104.576 2.745 1.095 1.00 0.00 H new ATOM 0 HG23 ILE A 73 102.965 2.003 1.241 1.00 0.00 H new ATOM 0 HD11 ILE A 73 100.230 5.212 1.760 1.00 0.00 H new ATOM 0 HD12 ILE A 73 101.852 5.923 1.586 1.00 0.00 H new ATOM 0 HD13 ILE A 73 101.393 4.507 0.612 1.00 0.00 H new ATOM 1218 N LYS A 74 101.955 1.752 4.850 1.00 0.00 N ATOM 1219 CA LYS A 74 101.029 0.674 5.144 1.00 0.00 C ATOM 1220 C LYS A 74 99.743 0.892 4.353 1.00 0.00 C ATOM 1221 O LYS A 74 99.151 1.972 4.414 1.00 0.00 O ATOM 1222 CB LYS A 74 100.729 0.655 6.648 1.00 0.00 C ATOM 1223 CG LYS A 74 100.451 -0.725 7.232 1.00 0.00 C ATOM 1224 CD LYS A 74 100.260 -0.637 8.742 1.00 0.00 C ATOM 1225 CE LYS A 74 100.507 -1.967 9.443 1.00 0.00 C ATOM 1226 NZ LYS A 74 99.486 -2.996 9.113 1.00 0.00 N ATOM 0 H LYS A 74 101.811 2.590 5.414 1.00 0.00 H new ATOM 0 HA LYS A 74 101.468 -0.283 4.860 1.00 0.00 H new ATOM 0 HB2 LYS A 74 101.575 1.093 7.177 1.00 0.00 H new ATOM 0 HB3 LYS A 74 99.867 1.294 6.839 1.00 0.00 H new ATOM 0 HG2 LYS A 74 99.559 -1.149 6.771 1.00 0.00 H new ATOM 0 HG3 LYS A 74 101.278 -1.397 7.003 1.00 0.00 H new ATOM 0 HD2 LYS A 74 100.938 0.114 9.147 1.00 0.00 H new ATOM 0 HD3 LYS A 74 99.246 -0.300 8.957 1.00 0.00 H new ATOM 0 HE2 LYS A 74 101.493 -2.340 9.166 1.00 0.00 H new ATOM 0 HE3 LYS A 74 100.518 -1.807 10.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 99.706 -3.878 9.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 98.546 -2.657 9.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 99.491 -3.174 8.088 1.00 0.00 H new ATOM 1240 N LYS A 75 99.331 -0.105 3.587 1.00 0.00 N ATOM 1241 CA LYS A 75 98.098 -0.006 2.816 1.00 0.00 C ATOM 1242 C LYS A 75 97.176 -1.169 3.145 1.00 0.00 C ATOM 1243 O LYS A 75 97.622 -2.204 3.640 1.00 0.00 O ATOM 1244 CB LYS A 75 98.387 0.049 1.311 1.00 0.00 C ATOM 1245 CG LYS A 75 99.133 1.305 0.885 1.00 0.00 C ATOM 1246 CD LYS A 75 99.220 1.427 -0.630 1.00 0.00 C ATOM 1247 CE LYS A 75 99.949 2.698 -1.034 1.00 0.00 C ATOM 1248 NZ LYS A 75 99.950 2.909 -2.507 1.00 0.00 N ATOM 0 H LYS A 75 99.828 -0.989 3.481 1.00 0.00 H new ATOM 0 HA LYS A 75 97.599 0.923 3.091 1.00 0.00 H new ATOM 0 HB2 LYS A 75 98.973 -0.826 1.029 1.00 0.00 H new ATOM 0 HB3 LYS A 75 97.445 -0.008 0.765 1.00 0.00 H new ATOM 0 HG2 LYS A 75 98.629 2.182 1.292 1.00 0.00 H new ATOM 0 HG3 LYS A 75 100.138 1.291 1.306 1.00 0.00 H new ATOM 0 HD2 LYS A 75 99.739 0.560 -1.039 1.00 0.00 H new ATOM 0 HD3 LYS A 75 98.217 1.428 -1.056 1.00 0.00 H new ATOM 0 HE2 LYS A 75 99.479 3.553 -0.548 1.00 0.00 H new ATOM 0 HE3 LYS A 75 100.977 2.653 -0.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 100.459 3.788 -2.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 100.422 2.107 -2.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 98.970 2.979 -2.848 1.00 0.00 H new ATOM 1262 N VAL A 76 95.892 -0.993 2.877 1.00 0.00 N ATOM 1263 CA VAL A 76 94.894 -1.985 3.238 1.00 0.00 C ATOM 1264 C VAL A 76 94.135 -2.456 2.004 1.00 0.00 C ATOM 1265 O VAL A 76 93.942 -1.692 1.059 1.00 0.00 O ATOM 1266 CB VAL A 76 93.900 -1.416 4.283 1.00 0.00 C ATOM 1267 CG1 VAL A 76 93.142 -0.217 3.731 1.00 0.00 C ATOM 1268 CG2 VAL A 76 92.929 -2.485 4.754 1.00 0.00 C ATOM 0 H VAL A 76 95.516 -0.169 2.409 1.00 0.00 H new ATOM 0 HA VAL A 76 95.413 -2.835 3.680 1.00 0.00 H new ATOM 0 HB VAL A 76 94.485 -1.082 5.140 1.00 0.00 H new ATOM 0 HG11 VAL A 76 92.453 0.158 4.488 1.00 0.00 H new ATOM 0 HG12 VAL A 76 93.849 0.568 3.462 1.00 0.00 H new ATOM 0 HG13 VAL A 76 92.580 -0.517 2.847 1.00 0.00 H new ATOM 0 HG21 VAL A 76 92.244 -2.057 5.486 1.00 0.00 H new ATOM 0 HG22 VAL A 76 92.362 -2.862 3.903 1.00 0.00 H new ATOM 0 HG23 VAL A 76 93.484 -3.304 5.211 1.00 0.00 H new ATOM 1278 N TYR A 77 93.735 -3.720 2.000 1.00 0.00 N ATOM 1279 CA TYR A 77 92.918 -4.252 0.926 1.00 0.00 C ATOM 1280 C TYR A 77 92.067 -5.408 1.430 1.00 0.00 C ATOM 1281 O TYR A 77 92.310 -5.946 2.512 1.00 0.00 O ATOM 1282 CB TYR A 77 93.794 -4.714 -0.250 1.00 0.00 C ATOM 1283 CG TYR A 77 94.675 -5.913 0.042 1.00 0.00 C ATOM 1284 CD1 TYR A 77 94.202 -7.206 -0.145 1.00 0.00 C ATOM 1285 CD2 TYR A 77 95.978 -5.752 0.489 1.00 0.00 C ATOM 1286 CE1 TYR A 77 95.003 -8.300 0.106 1.00 0.00 C ATOM 1287 CE2 TYR A 77 96.786 -6.844 0.744 1.00 0.00 C ATOM 1288 CZ TYR A 77 96.291 -8.115 0.552 1.00 0.00 C ATOM 1289 OH TYR A 77 97.092 -9.206 0.798 1.00 0.00 O ATOM 0 H TYR A 77 93.965 -4.394 2.730 1.00 0.00 H new ATOM 0 HA TYR A 77 92.260 -3.457 0.574 1.00 0.00 H new ATOM 0 HB2 TYR A 77 93.147 -4.954 -1.094 1.00 0.00 H new ATOM 0 HB3 TYR A 77 94.428 -3.883 -0.560 1.00 0.00 H new ATOM 0 HD1 TYR A 77 93.191 -7.357 -0.493 1.00 0.00 H new ATOM 0 HD2 TYR A 77 96.368 -4.756 0.640 1.00 0.00 H new ATOM 0 HE1 TYR A 77 94.621 -9.298 -0.047 1.00 0.00 H new ATOM 0 HE2 TYR A 77 97.799 -6.702 1.091 1.00 0.00 H new ATOM 0 HH TYR A 77 98.029 -8.967 0.636 1.00 0.00 H new ATOM 1299 N PHE A 78 91.060 -5.775 0.657 1.00 0.00 N ATOM 1300 CA PHE A 78 90.312 -6.992 0.920 1.00 0.00 C ATOM 1301 C PHE A 78 90.162 -7.775 -0.373 1.00 0.00 C ATOM 1302 O PHE A 78 90.098 -7.190 -1.457 1.00 0.00 O ATOM 1303 CB PHE A 78 88.943 -6.702 1.557 1.00 0.00 C ATOM 1304 CG PHE A 78 87.943 -6.026 0.657 1.00 0.00 C ATOM 1305 CD1 PHE A 78 87.889 -4.646 0.570 1.00 0.00 C ATOM 1306 CD2 PHE A 78 87.044 -6.775 -0.087 1.00 0.00 C ATOM 1307 CE1 PHE A 78 86.960 -4.024 -0.243 1.00 0.00 C ATOM 1308 CE2 PHE A 78 86.111 -6.159 -0.900 1.00 0.00 C ATOM 1309 CZ PHE A 78 86.070 -4.783 -0.979 1.00 0.00 C ATOM 0 H PHE A 78 90.742 -5.249 -0.157 1.00 0.00 H new ATOM 0 HA PHE A 78 90.867 -7.590 1.643 1.00 0.00 H new ATOM 0 HB2 PHE A 78 88.516 -7.643 1.904 1.00 0.00 H new ATOM 0 HB3 PHE A 78 89.096 -6.077 2.437 1.00 0.00 H new ATOM 0 HD1 PHE A 78 88.581 -4.048 1.144 1.00 0.00 H new ATOM 0 HD2 PHE A 78 87.073 -7.853 -0.031 1.00 0.00 H new ATOM 0 HE1 PHE A 78 86.930 -2.946 -0.303 1.00 0.00 H new ATOM 0 HE2 PHE A 78 85.415 -6.755 -1.472 1.00 0.00 H new ATOM 0 HZ PHE A 78 85.344 -4.299 -1.615 1.00 0.00 H new ATOM 1319 N GLU A 79 90.129 -9.090 -0.261 1.00 0.00 N ATOM 1320 CA GLU A 79 90.069 -9.947 -1.429 1.00 0.00 C ATOM 1321 C GLU A 79 88.672 -10.511 -1.616 1.00 0.00 C ATOM 1322 O GLU A 79 88.055 -11.003 -0.669 1.00 0.00 O ATOM 1323 CB GLU A 79 91.090 -11.074 -1.312 1.00 0.00 C ATOM 1324 CG GLU A 79 92.519 -10.571 -1.236 1.00 0.00 C ATOM 1325 CD GLU A 79 93.532 -11.688 -1.232 1.00 0.00 C ATOM 1326 OE1 GLU A 79 93.669 -12.372 -2.265 1.00 0.00 O ATOM 1327 OE2 GLU A 79 94.205 -11.880 -0.199 1.00 0.00 O ATOM 0 H GLU A 79 90.143 -9.588 0.629 1.00 0.00 H new ATOM 0 HA GLU A 79 90.311 -9.347 -2.306 1.00 0.00 H new ATOM 0 HB2 GLU A 79 90.871 -11.665 -0.423 1.00 0.00 H new ATOM 0 HB3 GLU A 79 90.989 -11.739 -2.170 1.00 0.00 H new ATOM 0 HG2 GLU A 79 92.713 -9.913 -2.083 1.00 0.00 H new ATOM 0 HG3 GLU A 79 92.641 -9.973 -0.333 1.00 0.00 H new ATOM 1334 N THR A 80 88.179 -10.419 -2.837 1.00 0.00 N ATOM 1335 CA THR A 80 86.853 -10.902 -3.172 1.00 0.00 C ATOM 1336 C THR A 80 86.876 -12.392 -3.500 1.00 0.00 C ATOM 1337 O THR A 80 87.915 -13.045 -3.404 1.00 0.00 O ATOM 1338 CB THR A 80 86.301 -10.133 -4.382 1.00 0.00 C ATOM 1339 OG1 THR A 80 87.221 -10.242 -5.474 1.00 0.00 O ATOM 1340 CG2 THR A 80 86.082 -8.667 -4.039 1.00 0.00 C ATOM 0 H THR A 80 88.685 -10.009 -3.622 1.00 0.00 H new ATOM 0 HA THR A 80 86.212 -10.741 -2.305 1.00 0.00 H new ATOM 0 HB THR A 80 85.341 -10.566 -4.662 1.00 0.00 H new ATOM 0 HG1 THR A 80 86.728 -10.214 -6.321 1.00 0.00 H new ATOM 0 HG21 THR A 80 85.691 -8.144 -4.912 1.00 0.00 H new ATOM 0 HG22 THR A 80 85.369 -8.588 -3.219 1.00 0.00 H new ATOM 0 HG23 THR A 80 87.029 -8.218 -3.741 1.00 0.00 H new ATOM 1348 N LEU A 81 85.726 -12.916 -3.908 1.00 0.00 N ATOM 1349 CA LEU A 81 85.607 -14.318 -4.300 1.00 0.00 C ATOM 1350 C LEU A 81 86.403 -14.583 -5.574 1.00 0.00 C ATOM 1351 O LEU A 81 86.773 -15.719 -5.868 1.00 0.00 O ATOM 1352 CB LEU A 81 84.136 -14.697 -4.525 1.00 0.00 C ATOM 1353 CG LEU A 81 83.269 -14.836 -3.265 1.00 0.00 C ATOM 1354 CD1 LEU A 81 83.090 -13.499 -2.561 1.00 0.00 C ATOM 1355 CD2 LEU A 81 81.917 -15.426 -3.629 1.00 0.00 C ATOM 0 H LEU A 81 84.856 -12.388 -3.977 1.00 0.00 H new ATOM 0 HA LEU A 81 86.009 -14.929 -3.492 1.00 0.00 H new ATOM 0 HB2 LEU A 81 83.684 -13.944 -5.170 1.00 0.00 H new ATOM 0 HB3 LEU A 81 84.105 -15.642 -5.067 1.00 0.00 H new ATOM 0 HG LEU A 81 83.781 -15.507 -2.575 1.00 0.00 H new ATOM 0 HD11 LEU A 81 82.471 -13.635 -1.674 1.00 0.00 H new ATOM 0 HD12 LEU A 81 84.065 -13.109 -2.267 1.00 0.00 H new ATOM 0 HD13 LEU A 81 82.606 -12.794 -3.237 1.00 0.00 H new ATOM 0 HD21 LEU A 81 81.308 -15.522 -2.730 1.00 0.00 H new ATOM 0 HD22 LEU A 81 81.414 -14.771 -4.340 1.00 0.00 H new ATOM 0 HD23 LEU A 81 82.058 -16.409 -4.078 1.00 0.00 H new ATOM 1367 N ASP A 82 86.678 -13.521 -6.318 1.00 0.00 N ATOM 1368 CA ASP A 82 87.400 -13.628 -7.580 1.00 0.00 C ATOM 1369 C ASP A 82 88.894 -13.450 -7.350 1.00 0.00 C ATOM 1370 O ASP A 82 89.673 -13.378 -8.301 1.00 0.00 O ATOM 1371 CB ASP A 82 86.904 -12.569 -8.568 1.00 0.00 C ATOM 1372 CG ASP A 82 85.394 -12.528 -8.679 1.00 0.00 C ATOM 1373 OD1 ASP A 82 84.817 -13.366 -9.401 1.00 0.00 O ATOM 1374 OD2 ASP A 82 84.779 -11.646 -8.044 1.00 0.00 O ATOM 0 H ASP A 82 86.410 -12.569 -6.068 1.00 0.00 H new ATOM 0 HA ASP A 82 87.218 -14.618 -7.997 1.00 0.00 H new ATOM 0 HB2 ASP A 82 87.267 -11.590 -8.256 1.00 0.00 H new ATOM 0 HB3 ASP A 82 87.330 -12.769 -9.551 1.00 0.00 H new ATOM 1379 N ASN A 83 89.279 -13.373 -6.074 1.00 0.00 N ATOM 1380 CA ASN A 83 90.672 -13.152 -5.674 1.00 0.00 C ATOM 1381 C ASN A 83 91.156 -11.780 -6.122 1.00 0.00 C ATOM 1382 O ASN A 83 92.358 -11.544 -6.265 1.00 0.00 O ATOM 1383 CB ASN A 83 91.595 -14.247 -6.223 1.00 0.00 C ATOM 1384 CG ASN A 83 91.480 -15.546 -5.450 1.00 0.00 C ATOM 1385 OD1 ASN A 83 92.196 -15.765 -4.473 1.00 0.00 O ATOM 1386 ND2 ASN A 83 90.590 -16.418 -5.886 1.00 0.00 N ATOM 0 H ASN A 83 88.634 -13.462 -5.288 1.00 0.00 H new ATOM 0 HA ASN A 83 90.708 -13.195 -4.585 1.00 0.00 H new ATOM 0 HB2 ASN A 83 91.354 -14.429 -7.270 1.00 0.00 H new ATOM 0 HB3 ASN A 83 92.627 -13.898 -6.189 1.00 0.00 H new ATOM 0 HD21 ASN A 83 90.476 -17.312 -5.409 1.00 0.00 H new ATOM 0 HD22 ASN A 83 90.016 -16.197 -6.700 1.00 0.00 H new ATOM 1393 N VAL A 84 90.214 -10.875 -6.330 1.00 0.00 N ATOM 1394 CA VAL A 84 90.541 -9.508 -6.692 1.00 0.00 C ATOM 1395 C VAL A 84 90.744 -8.689 -5.426 1.00 0.00 C ATOM 1396 O VAL A 84 89.891 -8.680 -4.539 1.00 0.00 O ATOM 1397 CB VAL A 84 89.438 -8.869 -7.564 1.00 0.00 C ATOM 1398 CG1 VAL A 84 89.790 -7.430 -7.915 1.00 0.00 C ATOM 1399 CG2 VAL A 84 89.219 -9.692 -8.825 1.00 0.00 C ATOM 0 H VAL A 84 89.215 -11.064 -6.254 1.00 0.00 H new ATOM 0 HA VAL A 84 91.458 -9.520 -7.280 1.00 0.00 H new ATOM 0 HB VAL A 84 88.510 -8.858 -6.992 1.00 0.00 H new ATOM 0 HG11 VAL A 84 88.998 -7.001 -8.529 1.00 0.00 H new ATOM 0 HG12 VAL A 84 89.895 -6.847 -7.000 1.00 0.00 H new ATOM 0 HG13 VAL A 84 90.729 -7.410 -8.468 1.00 0.00 H new ATOM 0 HG21 VAL A 84 88.439 -9.230 -9.430 1.00 0.00 H new ATOM 0 HG22 VAL A 84 90.146 -9.734 -9.398 1.00 0.00 H new ATOM 0 HG23 VAL A 84 88.915 -10.703 -8.552 1.00 0.00 H new ATOM 1409 N ARG A 85 91.884 -8.027 -5.337 1.00 0.00 N ATOM 1410 CA ARG A 85 92.241 -7.291 -4.140 1.00 0.00 C ATOM 1411 C ARG A 85 91.886 -5.820 -4.295 1.00 0.00 C ATOM 1412 O ARG A 85 92.486 -5.108 -5.100 1.00 0.00 O ATOM 1413 CB ARG A 85 93.737 -7.439 -3.848 1.00 0.00 C ATOM 1414 CG ARG A 85 94.254 -8.857 -4.035 1.00 0.00 C ATOM 1415 CD ARG A 85 95.589 -9.073 -3.340 1.00 0.00 C ATOM 1416 NE ARG A 85 96.619 -8.139 -3.790 1.00 0.00 N ATOM 1417 CZ ARG A 85 97.868 -8.140 -3.327 1.00 0.00 C ATOM 1418 NH1 ARG A 85 98.238 -9.034 -2.416 1.00 0.00 N ATOM 1419 NH2 ARG A 85 98.743 -7.253 -3.780 1.00 0.00 N ATOM 0 H ARG A 85 92.579 -7.985 -6.082 1.00 0.00 H new ATOM 0 HA ARG A 85 91.676 -7.703 -3.303 1.00 0.00 H new ATOM 0 HB2 ARG A 85 94.295 -6.768 -4.501 1.00 0.00 H new ATOM 0 HB3 ARG A 85 93.932 -7.122 -2.824 1.00 0.00 H new ATOM 0 HG2 ARG A 85 93.523 -9.564 -3.643 1.00 0.00 H new ATOM 0 HG3 ARG A 85 94.361 -9.066 -5.099 1.00 0.00 H new ATOM 0 HD2 ARG A 85 95.454 -8.967 -2.264 1.00 0.00 H new ATOM 0 HD3 ARG A 85 95.927 -10.094 -3.520 1.00 0.00 H new ATOM 0 HE ARG A 85 96.368 -7.448 -4.497 1.00 0.00 H new ATOM 0 HH11 ARG A 85 97.566 -9.719 -2.071 1.00 0.00 H new ATOM 0 HH12 ARG A 85 99.194 -9.035 -2.061 1.00 0.00 H new ATOM 0 HH21 ARG A 85 98.460 -6.570 -4.483 1.00 0.00 H new ATOM 0 HH22 ARG A 85 99.700 -7.253 -3.426 1.00 0.00 H new ATOM 1433 N VAL A 86 90.895 -5.376 -3.541 1.00 0.00 N ATOM 1434 CA VAL A 86 90.522 -3.971 -3.530 1.00 0.00 C ATOM 1435 C VAL A 86 91.427 -3.214 -2.569 1.00 0.00 C ATOM 1436 O VAL A 86 91.266 -3.306 -1.354 1.00 0.00 O ATOM 1437 CB VAL A 86 89.047 -3.774 -3.124 1.00 0.00 C ATOM 1438 CG1 VAL A 86 88.678 -2.298 -3.126 1.00 0.00 C ATOM 1439 CG2 VAL A 86 88.128 -4.552 -4.053 1.00 0.00 C ATOM 0 H VAL A 86 90.334 -5.968 -2.928 1.00 0.00 H new ATOM 0 HA VAL A 86 90.642 -3.582 -4.541 1.00 0.00 H new ATOM 0 HB VAL A 86 88.920 -4.157 -2.111 1.00 0.00 H new ATOM 0 HG11 VAL A 86 87.633 -2.184 -2.837 1.00 0.00 H new ATOM 0 HG12 VAL A 86 89.311 -1.764 -2.418 1.00 0.00 H new ATOM 0 HG13 VAL A 86 88.825 -1.888 -4.125 1.00 0.00 H new ATOM 0 HG21 VAL A 86 87.092 -4.400 -3.751 1.00 0.00 H new ATOM 0 HG22 VAL A 86 88.262 -4.201 -5.076 1.00 0.00 H new ATOM 0 HG23 VAL A 86 88.370 -5.613 -3.999 1.00 0.00 H new ATOM 1449 N VAL A 87 92.387 -2.486 -3.126 1.00 0.00 N ATOM 1450 CA VAL A 87 93.422 -1.835 -2.334 1.00 0.00 C ATOM 1451 C VAL A 87 93.098 -0.361 -2.117 1.00 0.00 C ATOM 1452 O VAL A 87 92.534 0.299 -2.994 1.00 0.00 O ATOM 1453 CB VAL A 87 94.805 -1.956 -3.013 1.00 0.00 C ATOM 1454 CG1 VAL A 87 95.912 -1.457 -2.095 1.00 0.00 C ATOM 1455 CG2 VAL A 87 95.072 -3.391 -3.440 1.00 0.00 C ATOM 0 H VAL A 87 92.470 -2.331 -4.131 1.00 0.00 H new ATOM 0 HA VAL A 87 93.454 -2.342 -1.369 1.00 0.00 H new ATOM 0 HB VAL A 87 94.796 -1.328 -3.904 1.00 0.00 H new ATOM 0 HG11 VAL A 87 96.874 -1.554 -2.599 1.00 0.00 H new ATOM 0 HG12 VAL A 87 95.736 -0.410 -1.848 1.00 0.00 H new ATOM 0 HG13 VAL A 87 95.920 -2.049 -1.180 1.00 0.00 H new ATOM 0 HG21 VAL A 87 96.051 -3.453 -3.916 1.00 0.00 H new ATOM 0 HG22 VAL A 87 95.052 -4.041 -2.565 1.00 0.00 H new ATOM 0 HG23 VAL A 87 94.305 -3.709 -4.146 1.00 0.00 H new ATOM 1465 N THR A 88 93.441 0.143 -0.941 1.00 0.00 N ATOM 1466 CA THR A 88 93.196 1.529 -0.591 1.00 0.00 C ATOM 1467 C THR A 88 94.239 2.027 0.417 1.00 0.00 C ATOM 1468 O THR A 88 94.774 1.245 1.211 1.00 0.00 O ATOM 1469 CB THR A 88 91.769 1.686 -0.023 1.00 0.00 C ATOM 1470 OG1 THR A 88 90.815 1.373 -1.044 1.00 0.00 O ATOM 1471 CG2 THR A 88 91.513 3.090 0.496 1.00 0.00 C ATOM 0 H THR A 88 93.896 -0.398 -0.206 1.00 0.00 H new ATOM 0 HA THR A 88 93.282 2.137 -1.492 1.00 0.00 H new ATOM 0 HB THR A 88 91.667 0.999 0.817 1.00 0.00 H new ATOM 0 HG1 THR A 88 90.045 0.917 -0.644 1.00 0.00 H new ATOM 0 HG21 THR A 88 90.497 3.154 0.886 1.00 0.00 H new ATOM 0 HG22 THR A 88 92.222 3.319 1.292 1.00 0.00 H new ATOM 0 HG23 THR A 88 91.636 3.806 -0.316 1.00 0.00 H new ATOM 1479 N ASP A 89 94.552 3.320 0.347 1.00 0.00 N ATOM 1480 CA ASP A 89 95.499 3.952 1.265 1.00 0.00 C ATOM 1481 C ASP A 89 95.056 3.779 2.714 1.00 0.00 C ATOM 1482 O ASP A 89 94.050 4.347 3.136 1.00 0.00 O ATOM 1483 CB ASP A 89 95.633 5.450 0.965 1.00 0.00 C ATOM 1484 CG ASP A 89 96.084 5.740 -0.451 1.00 0.00 C ATOM 1485 OD1 ASP A 89 97.309 5.817 -0.689 1.00 0.00 O ATOM 1486 OD2 ASP A 89 95.215 5.907 -1.334 1.00 0.00 O ATOM 0 H ASP A 89 94.158 3.957 -0.345 1.00 0.00 H new ATOM 0 HA ASP A 89 96.463 3.463 1.121 1.00 0.00 H new ATOM 0 HB2 ASP A 89 94.673 5.936 1.140 1.00 0.00 H new ATOM 0 HB3 ASP A 89 96.345 5.891 1.663 1.00 0.00 H new ATOM 1491 N TYR A 90 95.818 3.003 3.474 1.00 0.00 N ATOM 1492 CA TYR A 90 95.504 2.743 4.876 1.00 0.00 C ATOM 1493 C TYR A 90 95.768 3.987 5.715 1.00 0.00 C ATOM 1494 O TYR A 90 95.101 4.228 6.724 1.00 0.00 O ATOM 1495 CB TYR A 90 96.338 1.562 5.376 1.00 0.00 C ATOM 1496 CG TYR A 90 96.053 1.126 6.794 1.00 0.00 C ATOM 1497 CD1 TYR A 90 94.847 0.526 7.132 1.00 0.00 C ATOM 1498 CD2 TYR A 90 97.006 1.288 7.791 1.00 0.00 C ATOM 1499 CE1 TYR A 90 94.599 0.100 8.421 1.00 0.00 C ATOM 1500 CE2 TYR A 90 96.764 0.869 9.083 1.00 0.00 C ATOM 1501 CZ TYR A 90 95.561 0.274 9.392 1.00 0.00 C ATOM 1502 OH TYR A 90 95.323 -0.157 10.677 1.00 0.00 O ATOM 0 H TYR A 90 96.664 2.539 3.142 1.00 0.00 H new ATOM 0 HA TYR A 90 94.448 2.491 4.970 1.00 0.00 H new ATOM 0 HB2 TYR A 90 96.172 0.714 4.712 1.00 0.00 H new ATOM 0 HB3 TYR A 90 97.393 1.825 5.299 1.00 0.00 H new ATOM 0 HD1 TYR A 90 94.090 0.390 6.373 1.00 0.00 H new ATOM 0 HD2 TYR A 90 97.952 1.750 7.551 1.00 0.00 H new ATOM 0 HE1 TYR A 90 93.657 -0.367 8.667 1.00 0.00 H new ATOM 0 HE2 TYR A 90 97.514 1.007 9.848 1.00 0.00 H new ATOM 0 HH TYR A 90 96.102 0.041 11.238 1.00 0.00 H new ATOM 1512 N SER A 91 96.734 4.780 5.275 1.00 0.00 N ATOM 1513 CA SER A 91 97.047 6.050 5.909 1.00 0.00 C ATOM 1514 C SER A 91 95.842 6.988 5.856 1.00 0.00 C ATOM 1515 O SER A 91 95.460 7.595 6.859 1.00 0.00 O ATOM 1516 CB SER A 91 98.246 6.677 5.197 1.00 0.00 C ATOM 1517 OG SER A 91 98.144 6.486 3.792 1.00 0.00 O ATOM 0 H SER A 91 97.321 4.561 4.470 1.00 0.00 H new ATOM 0 HA SER A 91 97.293 5.882 6.957 1.00 0.00 H new ATOM 0 HB2 SER A 91 98.295 7.742 5.423 1.00 0.00 H new ATOM 0 HB3 SER A 91 99.170 6.230 5.565 1.00 0.00 H new ATOM 0 HG SER A 91 98.917 6.894 3.349 1.00 0.00 H new ATOM 1523 N GLU A 92 95.244 7.085 4.678 1.00 0.00 N ATOM 1524 CA GLU A 92 94.066 7.914 4.474 1.00 0.00 C ATOM 1525 C GLU A 92 92.850 7.274 5.142 1.00 0.00 C ATOM 1526 O GLU A 92 91.991 7.964 5.685 1.00 0.00 O ATOM 1527 CB GLU A 92 93.808 8.085 2.977 1.00 0.00 C ATOM 1528 CG GLU A 92 92.825 9.193 2.636 1.00 0.00 C ATOM 1529 CD GLU A 92 93.443 10.572 2.699 1.00 0.00 C ATOM 1530 OE1 GLU A 92 94.565 10.750 2.180 1.00 0.00 O ATOM 1531 OE2 GLU A 92 92.799 11.493 3.238 1.00 0.00 O ATOM 0 H GLU A 92 95.559 6.594 3.841 1.00 0.00 H new ATOM 0 HA GLU A 92 94.239 8.892 4.922 1.00 0.00 H new ATOM 0 HB2 GLU A 92 94.755 8.289 2.478 1.00 0.00 H new ATOM 0 HB3 GLU A 92 93.432 7.144 2.575 1.00 0.00 H new ATOM 0 HG2 GLU A 92 92.429 9.024 1.635 1.00 0.00 H new ATOM 0 HG3 GLU A 92 91.981 9.147 3.325 1.00 0.00 H new ATOM 1538 N PHE A 93 92.796 5.945 5.102 1.00 0.00 N ATOM 1539 CA PHE A 93 91.686 5.197 5.682 1.00 0.00 C ATOM 1540 C PHE A 93 91.571 5.460 7.181 1.00 0.00 C ATOM 1541 O PHE A 93 90.502 5.828 7.670 1.00 0.00 O ATOM 1542 CB PHE A 93 91.856 3.699 5.414 1.00 0.00 C ATOM 1543 CG PHE A 93 90.693 2.862 5.867 1.00 0.00 C ATOM 1544 CD1 PHE A 93 89.452 2.999 5.266 1.00 0.00 C ATOM 1545 CD2 PHE A 93 90.842 1.938 6.888 1.00 0.00 C ATOM 1546 CE1 PHE A 93 88.381 2.228 5.674 1.00 0.00 C ATOM 1547 CE2 PHE A 93 89.774 1.164 7.301 1.00 0.00 C ATOM 1548 CZ PHE A 93 88.541 1.310 6.695 1.00 0.00 C ATOM 0 H PHE A 93 93.513 5.362 4.671 1.00 0.00 H new ATOM 0 HA PHE A 93 90.765 5.536 5.208 1.00 0.00 H new ATOM 0 HB2 PHE A 93 92.006 3.546 4.345 1.00 0.00 H new ATOM 0 HB3 PHE A 93 92.759 3.351 5.916 1.00 0.00 H new ATOM 0 HD1 PHE A 93 89.321 3.717 4.470 1.00 0.00 H new ATOM 0 HD2 PHE A 93 91.803 1.821 7.367 1.00 0.00 H new ATOM 0 HE1 PHE A 93 87.419 2.342 5.196 1.00 0.00 H new ATOM 0 HE2 PHE A 93 89.903 0.446 8.097 1.00 0.00 H new ATOM 0 HZ PHE A 93 87.704 0.708 7.018 1.00 0.00 H new ATOM 1558 N GLN A 94 92.671 5.283 7.910 1.00 0.00 N ATOM 1559 CA GLN A 94 92.678 5.551 9.345 1.00 0.00 C ATOM 1560 C GLN A 94 92.446 7.031 9.622 1.00 0.00 C ATOM 1561 O GLN A 94 91.860 7.396 10.638 1.00 0.00 O ATOM 1562 CB GLN A 94 93.988 5.099 9.988 1.00 0.00 C ATOM 1563 CG GLN A 94 94.015 3.625 10.344 1.00 0.00 C ATOM 1564 CD GLN A 94 95.192 3.263 11.230 1.00 0.00 C ATOM 1565 OE1 GLN A 94 96.258 3.872 11.150 1.00 0.00 O ATOM 1566 NE2 GLN A 94 95.002 2.278 12.095 1.00 0.00 N ATOM 0 H GLN A 94 93.562 4.958 7.534 1.00 0.00 H new ATOM 0 HA GLN A 94 91.863 4.978 9.788 1.00 0.00 H new ATOM 0 HB2 GLN A 94 94.811 5.314 9.306 1.00 0.00 H new ATOM 0 HB3 GLN A 94 94.161 5.685 10.891 1.00 0.00 H new ATOM 0 HG2 GLN A 94 93.087 3.360 10.851 1.00 0.00 H new ATOM 0 HG3 GLN A 94 94.058 3.034 9.429 1.00 0.00 H new ATOM 0 HE21 GLN A 94 94.103 1.797 12.131 1.00 0.00 H new ATOM 0 HE22 GLN A 94 95.754 2.000 12.725 1.00 0.00 H new ATOM 1575 N LYS A 95 92.910 7.870 8.712 1.00 0.00 N ATOM 1576 CA LYS A 95 92.677 9.307 8.787 1.00 0.00 C ATOM 1577 C LYS A 95 91.176 9.608 8.779 1.00 0.00 C ATOM 1578 O LYS A 95 90.695 10.455 9.534 1.00 0.00 O ATOM 1579 CB LYS A 95 93.376 9.983 7.610 1.00 0.00 C ATOM 1580 CG LYS A 95 93.049 11.452 7.422 1.00 0.00 C ATOM 1581 CD LYS A 95 93.696 11.965 6.151 1.00 0.00 C ATOM 1582 CE LYS A 95 93.212 13.351 5.777 1.00 0.00 C ATOM 1583 NZ LYS A 95 93.707 13.749 4.433 1.00 0.00 N ATOM 0 H LYS A 95 93.457 7.579 7.902 1.00 0.00 H new ATOM 0 HA LYS A 95 93.086 9.697 9.719 1.00 0.00 H new ATOM 0 HB2 LYS A 95 94.453 9.881 7.741 1.00 0.00 H new ATOM 0 HB3 LYS A 95 93.113 9.449 6.697 1.00 0.00 H new ATOM 0 HG2 LYS A 95 91.969 11.590 7.372 1.00 0.00 H new ATOM 0 HG3 LYS A 95 93.404 12.025 8.278 1.00 0.00 H new ATOM 0 HD2 LYS A 95 94.778 11.983 6.279 1.00 0.00 H new ATOM 0 HD3 LYS A 95 93.483 11.276 5.334 1.00 0.00 H new ATOM 0 HE2 LYS A 95 92.122 13.374 5.787 1.00 0.00 H new ATOM 0 HE3 LYS A 95 93.553 14.071 6.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 93.157 14.561 4.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 94.711 14.012 4.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 93.599 12.952 3.773 1.00 0.00 H new ATOM 1597 N ILE A 96 90.440 8.896 7.934 1.00 0.00 N ATOM 1598 CA ILE A 96 88.992 9.035 7.878 1.00 0.00 C ATOM 1599 C ILE A 96 88.346 8.408 9.113 1.00 0.00 C ATOM 1600 O ILE A 96 87.362 8.932 9.646 1.00 0.00 O ATOM 1601 CB ILE A 96 88.414 8.385 6.602 1.00 0.00 C ATOM 1602 CG1 ILE A 96 89.044 9.017 5.358 1.00 0.00 C ATOM 1603 CG2 ILE A 96 86.897 8.524 6.562 1.00 0.00 C ATOM 1604 CD1 ILE A 96 88.621 8.360 4.064 1.00 0.00 C ATOM 0 H ILE A 96 90.824 8.216 7.278 1.00 0.00 H new ATOM 0 HA ILE A 96 88.765 10.101 7.855 1.00 0.00 H new ATOM 0 HB ILE A 96 88.655 7.322 6.616 1.00 0.00 H new ATOM 0 HG12 ILE A 96 88.778 10.073 5.323 1.00 0.00 H new ATOM 0 HG13 ILE A 96 90.129 8.965 5.444 1.00 0.00 H new ATOM 0 HG21 ILE A 96 86.513 8.059 5.654 1.00 0.00 H new ATOM 0 HG22 ILE A 96 86.464 8.033 7.433 1.00 0.00 H new ATOM 0 HG23 ILE A 96 86.628 9.580 6.570 1.00 0.00 H new ATOM 0 HD11 ILE A 96 89.107 8.860 3.226 1.00 0.00 H new ATOM 0 HD12 ILE A 96 88.912 7.310 4.077 1.00 0.00 H new ATOM 0 HD13 ILE A 96 87.539 8.436 3.954 1.00 0.00 H new ATOM 1616 N LEU A 97 88.909 7.293 9.572 1.00 0.00 N ATOM 1617 CA LEU A 97 88.426 6.633 10.782 1.00 0.00 C ATOM 1618 C LEU A 97 88.510 7.574 11.976 1.00 0.00 C ATOM 1619 O LEU A 97 87.543 7.740 12.713 1.00 0.00 O ATOM 1620 CB LEU A 97 89.229 5.359 11.069 1.00 0.00 C ATOM 1621 CG LEU A 97 89.109 4.256 10.018 1.00 0.00 C ATOM 1622 CD1 LEU A 97 89.942 3.051 10.417 1.00 0.00 C ATOM 1623 CD2 LEU A 97 87.655 3.856 9.826 1.00 0.00 C ATOM 0 H LEU A 97 89.699 6.828 9.125 1.00 0.00 H new ATOM 0 HA LEU A 97 87.384 6.359 10.618 1.00 0.00 H new ATOM 0 HB2 LEU A 97 90.280 5.628 11.170 1.00 0.00 H new ATOM 0 HB3 LEU A 97 88.909 4.957 12.030 1.00 0.00 H new ATOM 0 HG LEU A 97 89.487 4.641 9.071 1.00 0.00 H new ATOM 0 HD11 LEU A 97 89.846 2.275 9.658 1.00 0.00 H new ATOM 0 HD12 LEU A 97 90.988 3.345 10.505 1.00 0.00 H new ATOM 0 HD13 LEU A 97 89.591 2.667 11.375 1.00 0.00 H new ATOM 0 HD21 LEU A 97 87.590 3.070 9.074 1.00 0.00 H new ATOM 0 HD22 LEU A 97 87.251 3.490 10.770 1.00 0.00 H new ATOM 0 HD23 LEU A 97 87.080 4.721 9.497 1.00 0.00 H new ATOM 1635 N LYS A 98 89.669 8.203 12.145 1.00 0.00 N ATOM 1636 CA LYS A 98 89.886 9.154 13.232 1.00 0.00 C ATOM 1637 C LYS A 98 88.996 10.382 13.063 1.00 0.00 C ATOM 1638 O LYS A 98 88.609 11.024 14.039 1.00 0.00 O ATOM 1639 CB LYS A 98 91.351 9.591 13.269 1.00 0.00 C ATOM 1640 CG LYS A 98 92.330 8.463 13.541 1.00 0.00 C ATOM 1641 CD LYS A 98 93.766 8.956 13.469 1.00 0.00 C ATOM 1642 CE LYS A 98 94.762 7.857 13.798 1.00 0.00 C ATOM 1643 NZ LYS A 98 94.557 7.315 15.167 1.00 0.00 N ATOM 0 H LYS A 98 90.478 8.070 11.539 1.00 0.00 H new ATOM 0 HA LYS A 98 89.631 8.659 14.169 1.00 0.00 H new ATOM 0 HB2 LYS A 98 91.604 10.055 12.316 1.00 0.00 H new ATOM 0 HB3 LYS A 98 91.471 10.355 14.037 1.00 0.00 H new ATOM 0 HG2 LYS A 98 92.137 8.039 14.526 1.00 0.00 H new ATOM 0 HG3 LYS A 98 92.180 7.664 12.815 1.00 0.00 H new ATOM 0 HD2 LYS A 98 93.968 9.341 12.469 1.00 0.00 H new ATOM 0 HD3 LYS A 98 93.900 9.786 14.163 1.00 0.00 H new ATOM 0 HE2 LYS A 98 94.667 7.051 13.070 1.00 0.00 H new ATOM 0 HE3 LYS A 98 95.776 8.248 13.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 95.391 6.762 15.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 94.419 8.101 15.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 93.717 6.702 15.176 1.00 0.00 H new ATOM 1657 N LYS A 99 88.685 10.701 11.817 1.00 0.00 N ATOM 1658 CA LYS A 99 87.863 11.857 11.496 1.00 0.00 C ATOM 1659 C LYS A 99 86.425 11.646 11.963 1.00 0.00 C ATOM 1660 O LYS A 99 85.867 12.476 12.680 1.00 0.00 O ATOM 1661 CB LYS A 99 87.905 12.113 9.990 1.00 0.00 C ATOM 1662 CG LYS A 99 87.112 13.323 9.540 1.00 0.00 C ATOM 1663 CD LYS A 99 87.308 13.578 8.058 1.00 0.00 C ATOM 1664 CE LYS A 99 86.539 14.801 7.591 1.00 0.00 C ATOM 1665 NZ LYS A 99 85.071 14.605 7.680 1.00 0.00 N ATOM 0 H LYS A 99 88.993 10.169 11.003 1.00 0.00 H new ATOM 0 HA LYS A 99 88.260 12.728 12.018 1.00 0.00 H new ATOM 0 HB2 LYS A 99 88.943 12.240 9.684 1.00 0.00 H new ATOM 0 HB3 LYS A 99 87.525 11.232 9.473 1.00 0.00 H new ATOM 0 HG2 LYS A 99 86.054 13.168 9.749 1.00 0.00 H new ATOM 0 HG3 LYS A 99 87.424 14.199 10.108 1.00 0.00 H new ATOM 0 HD2 LYS A 99 88.369 13.714 7.850 1.00 0.00 H new ATOM 0 HD3 LYS A 99 86.982 12.705 7.492 1.00 0.00 H new ATOM 0 HE2 LYS A 99 86.827 15.662 8.195 1.00 0.00 H new ATOM 0 HE3 LYS A 99 86.812 15.029 6.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 84.586 15.397 7.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 84.811 13.714 7.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 84.786 14.566 8.679 1.00 0.00 H new ATOM 1679 N ARG A 100 85.838 10.522 11.571 1.00 0.00 N ATOM 1680 CA ARG A 100 84.461 10.209 11.947 1.00 0.00 C ATOM 1681 C ARG A 100 84.395 9.600 13.342 1.00 0.00 C ATOM 1682 O ARG A 100 83.314 9.437 13.908 1.00 0.00 O ATOM 1683 CB ARG A 100 83.830 9.253 10.935 1.00 0.00 C ATOM 1684 CG ARG A 100 83.481 9.913 9.615 1.00 0.00 C ATOM 1685 CD ARG A 100 82.824 8.935 8.657 1.00 0.00 C ATOM 1686 NE ARG A 100 82.267 9.615 7.492 1.00 0.00 N ATOM 1687 CZ ARG A 100 82.494 9.249 6.231 1.00 0.00 C ATOM 1688 NH1 ARG A 100 83.267 8.203 5.969 1.00 0.00 N ATOM 1689 NH2 ARG A 100 81.947 9.929 5.235 1.00 0.00 N ATOM 0 H ARG A 100 86.291 9.813 10.995 1.00 0.00 H new ATOM 0 HA ARG A 100 83.901 11.144 11.951 1.00 0.00 H new ATOM 0 HB2 ARG A 100 84.518 8.428 10.749 1.00 0.00 H new ATOM 0 HB3 ARG A 100 82.926 8.823 11.367 1.00 0.00 H new ATOM 0 HG2 ARG A 100 82.811 10.754 9.794 1.00 0.00 H new ATOM 0 HG3 ARG A 100 84.385 10.317 9.160 1.00 0.00 H new ATOM 0 HD2 ARG A 100 83.556 8.196 8.332 1.00 0.00 H new ATOM 0 HD3 ARG A 100 82.033 8.393 9.175 1.00 0.00 H new ATOM 0 HE ARG A 100 81.665 10.423 7.653 1.00 0.00 H new ATOM 0 HH11 ARG A 100 83.689 7.677 6.734 1.00 0.00 H new ATOM 0 HH12 ARG A 100 83.439 7.925 5.003 1.00 0.00 H new ATOM 0 HH21 ARG A 100 81.352 10.733 5.433 1.00 0.00 H new ATOM 0 HH22 ARG A 100 82.121 9.649 4.270 1.00 0.00 H new ATOM 1703 N GLY A 101 85.551 9.258 13.887 1.00 0.00 N ATOM 1704 CA GLY A 101 85.601 8.662 15.205 1.00 0.00 C ATOM 1705 C GLY A 101 85.139 7.221 15.194 1.00 0.00 C ATOM 1706 O GLY A 101 84.522 6.749 16.150 1.00 0.00 O ATOM 0 H GLY A 101 86.459 9.383 13.439 1.00 0.00 H new ATOM 0 HA2 GLY A 101 86.620 8.713 15.587 1.00 0.00 H new ATOM 0 HA3 GLY A 101 84.976 9.238 15.887 1.00 0.00 H new