USER MOD reduce.3.24.130724 H: found=0, std=0, add=1032, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 1061 hydrogens (21 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 Single : A 19 SER OG : rot 25:sc= 0.176 USER MOD Single : A 20 ASN : amide:sc= -0.0255 K(o=-0.025,f=-1.8!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -160:sc= -0.467 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS :FLIP no HD1:sc= -2.54 F(o=-5.1!,f=-2.5) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 SER OG : rot 26:sc= 0.156 USER MOD Single : B 20 ASN : amide:sc= -0.0221 K(o=-0.022,f=-1.9!) USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 23 SER OG : rot -160:sc= -0.473 USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 37 HIS :FLIP no HD1:sc= -2.78 F(o=-5!,f=-2.8) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 19 SER OG : rot 34:sc= 0.171 USER MOD Single : C 20 ASN : amide:sc= -0.0613 K(o=-0.061,f=-2!) USER MOD Single : C 22 SER OG : rot 180:sc= 0 USER MOD Single : C 23 SER OG : rot -166:sc= -0.455 USER MOD Single : C 31 SER OG : rot 180:sc= 0 USER MOD Single : C 37 HIS :FLIP no HD1:sc= -2.24 F(o=-5!,f=-2.2) USER MOD Single : C 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 19 SER OG : rot 23:sc= 0.162 USER MOD Single : D 20 ASN : amide:sc= -0.0679 K(o=-0.068,f=-1.9!) USER MOD Single : D 22 SER OG : rot 180:sc= 0 USER MOD Single : D 23 SER OG : rot -160:sc= -0.495 USER MOD Single : D 31 SER OG : rot 180:sc= 0 USER MOD Single : D 37 HIS :FLIP no HD1:sc= -2.89 F(o=-4.9!,f=-2.9) USER MOD Single : D 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 19 -24.412 12.976 2.283 1.00 0.00 N ATOM 2 CA SER A 19 -24.620 12.431 3.654 1.00 0.00 C ATOM 3 C SER A 19 -23.505 11.443 3.983 1.00 0.00 C ATOM 4 O SER A 19 -23.497 10.316 3.488 1.00 0.00 O ATOM 5 CB SER A 19 -25.976 11.726 3.719 1.00 0.00 C ATOM 6 OG SER A 19 -26.994 12.629 3.311 1.00 0.00 O ATOM 0 HA SER A 19 -24.602 13.245 4.379 1.00 0.00 H new ATOM 0 HB2 SER A 19 -25.973 10.847 3.074 1.00 0.00 H new ATOM 0 HB3 SER A 19 -26.169 11.376 4.733 1.00 0.00 H new ATOM 0 HG SER A 19 -26.608 13.315 2.727 1.00 0.00 H new ATOM 14 N ASN A 20 -22.569 11.873 4.822 1.00 0.00 N ATOM 15 CA ASN A 20 -21.453 11.016 5.215 1.00 0.00 C ATOM 16 C ASN A 20 -20.720 10.488 3.985 1.00 0.00 C ATOM 17 O ASN A 20 -20.489 9.286 3.857 1.00 0.00 O ATOM 18 CB ASN A 20 -21.970 9.841 6.044 1.00 0.00 C ATOM 19 CG ASN A 20 -22.442 10.335 7.407 1.00 0.00 C ATOM 20 OD1 ASN A 20 -22.063 11.423 7.840 1.00 0.00 O ATOM 21 ND2 ASN A 20 -23.253 9.595 8.113 1.00 0.00 N ATOM 0 H ASN A 20 -22.559 12.803 5.241 1.00 0.00 H new ATOM 0 HA ASN A 20 -20.757 11.607 5.811 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -22.791 9.349 5.522 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -21.182 9.099 6.170 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -23.574 9.918 9.026 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -23.566 8.694 7.752 1.00 0.00 H new ATOM 28 N ASP A 21 -20.351 11.393 3.084 1.00 0.00 N ATOM 29 CA ASP A 21 -19.653 11.004 1.866 1.00 0.00 C ATOM 30 C ASP A 21 -18.276 10.432 2.210 1.00 0.00 C ATOM 31 O ASP A 21 -17.811 9.485 1.574 1.00 0.00 O ATOM 32 CB ASP A 21 -19.497 12.231 0.947 1.00 0.00 C ATOM 33 CG ASP A 21 -20.752 12.437 0.091 1.00 0.00 C ATOM 34 OD1 ASP A 21 -21.641 11.602 0.155 1.00 0.00 O ATOM 35 OD2 ASP A 21 -20.806 13.436 -0.607 1.00 0.00 O ATOM 0 H ASP A 21 -20.523 12.394 3.174 1.00 0.00 H new ATOM 0 HA ASP A 21 -20.233 10.238 1.350 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -19.313 13.120 1.550 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -18.629 12.098 0.301 1.00 0.00 H new ATOM 40 N SER A 22 -17.635 11.008 3.219 1.00 0.00 N ATOM 41 CA SER A 22 -16.316 10.547 3.631 1.00 0.00 C ATOM 42 C SER A 22 -16.380 9.096 4.098 1.00 0.00 C ATOM 43 O SER A 22 -15.375 8.386 4.090 1.00 0.00 O ATOM 44 CB SER A 22 -15.788 11.424 4.765 1.00 0.00 C ATOM 45 OG SER A 22 -16.675 11.339 5.873 1.00 0.00 O ATOM 0 H SER A 22 -18.003 11.788 3.763 1.00 0.00 H new ATOM 0 HA SER A 22 -15.644 10.615 2.776 1.00 0.00 H new ATOM 0 HB2 SER A 22 -14.789 11.099 5.057 1.00 0.00 H new ATOM 0 HB3 SER A 22 -15.702 12.458 4.431 1.00 0.00 H new ATOM 0 HG SER A 22 -16.340 11.899 6.604 1.00 0.00 H new ATOM 51 N SER A 23 -17.570 8.666 4.500 1.00 0.00 N ATOM 52 CA SER A 23 -17.763 7.299 4.968 1.00 0.00 C ATOM 53 C SER A 23 -17.853 6.339 3.789 1.00 0.00 C ATOM 54 O SER A 23 -18.044 5.137 3.968 1.00 0.00 O ATOM 55 CB SER A 23 -19.034 7.203 5.809 1.00 0.00 C ATOM 56 OG SER A 23 -19.063 8.283 6.731 1.00 0.00 O ATOM 0 H SER A 23 -18.412 9.241 4.511 1.00 0.00 H new ATOM 0 HA SER A 23 -16.906 7.023 5.583 1.00 0.00 H new ATOM 0 HB2 SER A 23 -19.914 7.234 5.166 1.00 0.00 H new ATOM 0 HB3 SER A 23 -19.062 6.253 6.342 1.00 0.00 H new ATOM 0 HG SER A 23 -19.676 8.070 7.466 1.00 0.00 H new ATOM 62 N ASP A 24 -17.731 6.881 2.583 1.00 0.00 N ATOM 63 CA ASP A 24 -17.819 6.064 1.379 1.00 0.00 C ATOM 64 C ASP A 24 -17.020 4.767 1.551 1.00 0.00 C ATOM 65 O ASP A 24 -16.054 4.720 2.313 1.00 0.00 O ATOM 66 CB ASP A 24 -17.280 6.856 0.172 1.00 0.00 C ATOM 67 CG ASP A 24 -18.381 7.726 -0.427 1.00 0.00 C ATOM 68 OD1 ASP A 24 -19.386 7.910 0.238 1.00 0.00 O ATOM 69 OD2 ASP A 24 -18.201 8.193 -1.538 1.00 0.00 O ATOM 0 H ASP A 24 -17.572 7.874 2.413 1.00 0.00 H new ATOM 0 HA ASP A 24 -18.864 5.808 1.205 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -16.443 7.481 0.483 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -16.900 6.167 -0.583 1.00 0.00 H new ATOM 74 N PRO A 25 -17.408 3.723 0.859 1.00 0.00 N ATOM 75 CA PRO A 25 -16.714 2.403 0.937 1.00 0.00 C ATOM 76 C PRO A 25 -15.280 2.480 0.414 1.00 0.00 C ATOM 77 O PRO A 25 -14.430 1.674 0.793 1.00 0.00 O ATOM 78 CB PRO A 25 -17.587 1.480 0.059 1.00 0.00 C ATOM 79 CG PRO A 25 -18.320 2.400 -0.864 1.00 0.00 C ATOM 80 CD PRO A 25 -18.550 3.683 -0.074 1.00 0.00 C ATOM 0 HA PRO A 25 -16.616 2.045 1.962 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -16.975 0.770 -0.497 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -18.279 0.897 0.667 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -17.739 2.595 -1.765 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -19.266 1.962 -1.183 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -18.567 4.557 -0.725 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -19.502 3.662 0.457 1.00 0.00 H new ATOM 88 N LEU A 26 -15.018 3.446 -0.456 1.00 0.00 N ATOM 89 CA LEU A 26 -13.683 3.599 -1.019 1.00 0.00 C ATOM 90 C LEU A 26 -12.674 3.925 0.077 1.00 0.00 C ATOM 91 O LEU A 26 -11.583 3.355 0.120 1.00 0.00 O ATOM 92 CB LEU A 26 -13.696 4.721 -2.070 1.00 0.00 C ATOM 93 CG LEU A 26 -14.250 4.186 -3.394 1.00 0.00 C ATOM 94 CD1 LEU A 26 -15.653 3.614 -3.167 1.00 0.00 C ATOM 95 CD2 LEU A 26 -14.321 5.326 -4.412 1.00 0.00 C ATOM 0 H LEU A 26 -15.702 4.128 -0.784 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.389 2.661 -1.490 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -14.307 5.553 -1.719 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.687 5.106 -2.217 1.00 0.00 H new ATOM 0 HG LEU A 26 -13.596 3.400 -3.772 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -16.047 3.233 -4.109 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -15.602 2.803 -2.441 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -16.309 4.398 -2.790 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -14.715 4.948 -5.355 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -14.976 6.111 -4.034 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -13.323 5.733 -4.573 1.00 0.00 H new ATOM 107 N VAL A 27 -13.046 4.844 0.961 1.00 0.00 N ATOM 108 CA VAL A 27 -12.162 5.233 2.054 1.00 0.00 C ATOM 109 C VAL A 27 -11.994 4.084 3.045 1.00 0.00 C ATOM 110 O VAL A 27 -10.880 3.769 3.471 1.00 0.00 O ATOM 111 CB VAL A 27 -12.730 6.461 2.772 1.00 0.00 C ATOM 112 CG1 VAL A 27 -11.883 6.773 4.010 1.00 0.00 C ATOM 113 CG2 VAL A 27 -12.719 7.663 1.820 1.00 0.00 C ATOM 0 H VAL A 27 -13.943 5.329 0.944 1.00 0.00 H new ATOM 0 HA VAL A 27 -11.185 5.478 1.638 1.00 0.00 H new ATOM 0 HB VAL A 27 -13.755 6.256 3.082 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.290 7.647 4.518 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.900 5.919 4.687 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.856 6.975 3.707 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.123 8.536 2.332 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -11.696 7.868 1.505 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -13.330 7.440 0.945 1.00 0.00 H new ATOM 123 N VAL A 28 -13.111 3.463 3.407 1.00 0.00 N ATOM 124 CA VAL A 28 -13.084 2.355 4.352 1.00 0.00 C ATOM 125 C VAL A 28 -12.304 1.181 3.775 1.00 0.00 C ATOM 126 O VAL A 28 -11.489 0.567 4.464 1.00 0.00 O ATOM 127 CB VAL A 28 -14.514 1.913 4.685 1.00 0.00 C ATOM 128 CG1 VAL A 28 -14.476 0.646 5.543 1.00 0.00 C ATOM 129 CG2 VAL A 28 -15.228 3.028 5.455 1.00 0.00 C ATOM 0 H VAL A 28 -14.040 3.706 3.063 1.00 0.00 H new ATOM 0 HA VAL A 28 -12.590 2.691 5.264 1.00 0.00 H new ATOM 0 HB VAL A 28 -15.051 1.707 3.759 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -15.494 0.335 5.778 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -13.971 -0.149 4.995 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -13.936 0.849 6.468 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -16.244 2.714 5.692 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -14.688 3.236 6.379 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -15.260 3.930 4.843 1.00 0.00 H new ATOM 139 N ALA A 29 -12.560 0.872 2.510 1.00 0.00 N ATOM 140 CA ALA A 29 -11.878 -0.234 1.854 1.00 0.00 C ATOM 141 C ALA A 29 -10.372 0.002 1.829 1.00 0.00 C ATOM 142 O ALA A 29 -9.590 -0.913 2.070 1.00 0.00 O ATOM 143 CB ALA A 29 -12.389 -0.386 0.421 1.00 0.00 C ATOM 0 H ALA A 29 -13.230 1.368 1.922 1.00 0.00 H new ATOM 0 HA ALA A 29 -12.085 -1.145 2.416 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -11.874 -1.216 -0.063 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -13.461 -0.584 0.436 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -12.197 0.533 -0.133 1.00 0.00 H new ATOM 149 N ALA A 30 -9.970 1.235 1.545 1.00 0.00 N ATOM 150 CA ALA A 30 -8.550 1.567 1.491 1.00 0.00 C ATOM 151 C ALA A 30 -7.854 1.157 2.785 1.00 0.00 C ATOM 152 O ALA A 30 -6.822 0.488 2.759 1.00 0.00 O ATOM 153 CB ALA A 30 -8.378 3.070 1.271 1.00 0.00 C ATOM 0 H ALA A 30 -10.599 2.014 1.350 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.098 1.023 0.662 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.316 3.313 1.231 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -8.851 3.357 0.332 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.844 3.614 2.093 1.00 0.00 H new ATOM 159 N SER A 31 -8.426 1.560 3.912 1.00 0.00 N ATOM 160 CA SER A 31 -7.852 1.222 5.209 1.00 0.00 C ATOM 161 C SER A 31 -7.845 -0.290 5.420 1.00 0.00 C ATOM 162 O SER A 31 -6.868 -0.852 5.904 1.00 0.00 O ATOM 163 CB SER A 31 -8.645 1.893 6.326 1.00 0.00 C ATOM 164 OG SER A 31 -8.302 1.292 7.568 1.00 0.00 O ATOM 0 H SER A 31 -9.280 2.117 3.956 1.00 0.00 H new ATOM 0 HA SER A 31 -6.824 1.583 5.231 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.427 2.961 6.352 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.714 1.790 6.142 1.00 0.00 H new ATOM 0 HG SER A 31 -8.808 1.721 8.290 1.00 0.00 H new ATOM 170 N ILE A 32 -8.948 -0.936 5.055 1.00 0.00 N ATOM 171 CA ILE A 32 -9.069 -2.382 5.214 1.00 0.00 C ATOM 172 C ILE A 32 -8.020 -3.110 4.379 1.00 0.00 C ATOM 173 O ILE A 32 -7.421 -4.085 4.833 1.00 0.00 O ATOM 174 CB ILE A 32 -10.471 -2.844 4.801 1.00 0.00 C ATOM 175 CG1 ILE A 32 -11.497 -2.320 5.808 1.00 0.00 C ATOM 176 CG2 ILE A 32 -10.521 -4.373 4.767 1.00 0.00 C ATOM 177 CD1 ILE A 32 -12.908 -2.578 5.275 1.00 0.00 C ATOM 0 H ILE A 32 -9.767 -0.484 4.649 1.00 0.00 H new ATOM 0 HA ILE A 32 -8.905 -2.623 6.264 1.00 0.00 H new ATOM 0 HB ILE A 32 -10.703 -2.455 3.810 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -11.364 -2.814 6.770 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -11.348 -1.253 5.974 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -11.519 -4.698 4.473 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.792 -4.745 4.047 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -10.288 -4.767 5.756 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -13.641 -2.206 5.991 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -13.037 -2.064 4.323 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -13.053 -3.649 5.132 1.00 0.00 H new ATOM 189 N ILE A 33 -7.806 -2.639 3.161 1.00 0.00 N ATOM 190 CA ILE A 33 -6.832 -3.265 2.277 1.00 0.00 C ATOM 191 C ILE A 33 -5.446 -3.261 2.913 1.00 0.00 C ATOM 192 O ILE A 33 -4.723 -4.253 2.844 1.00 0.00 O ATOM 193 CB ILE A 33 -6.786 -2.508 0.943 1.00 0.00 C ATOM 194 CG1 ILE A 33 -8.068 -2.776 0.148 1.00 0.00 C ATOM 195 CG2 ILE A 33 -5.572 -2.959 0.122 1.00 0.00 C ATOM 196 CD1 ILE A 33 -8.200 -1.749 -0.984 1.00 0.00 C ATOM 0 H ILE A 33 -8.288 -1.833 2.763 1.00 0.00 H new ATOM 0 HA ILE A 33 -7.134 -4.298 2.104 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.703 -1.441 1.148 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.047 -3.785 -0.264 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.934 -2.718 0.807 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.549 -2.415 -0.823 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.659 -2.754 0.681 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.644 -4.028 -0.076 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.113 -1.943 -1.547 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.241 -0.745 -0.562 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.340 -1.828 -1.649 1.00 0.00 H new ATOM 208 N GLY A 34 -5.076 -2.143 3.517 1.00 0.00 N ATOM 209 CA GLY A 34 -3.767 -2.037 4.141 1.00 0.00 C ATOM 210 C GLY A 34 -3.592 -3.080 5.241 1.00 0.00 C ATOM 211 O GLY A 34 -2.590 -3.789 5.276 1.00 0.00 O ATOM 0 H GLY A 34 -5.655 -1.306 3.588 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.991 -2.167 3.387 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.641 -1.039 4.560 1.00 0.00 H new ATOM 215 N ILE A 35 -4.570 -3.164 6.138 1.00 0.00 N ATOM 216 CA ILE A 35 -4.502 -4.121 7.238 1.00 0.00 C ATOM 217 C ILE A 35 -4.503 -5.553 6.721 1.00 0.00 C ATOM 218 O ILE A 35 -3.694 -6.371 7.144 1.00 0.00 O ATOM 219 CB ILE A 35 -5.690 -3.920 8.177 1.00 0.00 C ATOM 220 CG1 ILE A 35 -5.747 -2.455 8.629 1.00 0.00 C ATOM 221 CG2 ILE A 35 -5.551 -4.828 9.400 1.00 0.00 C ATOM 222 CD1 ILE A 35 -4.427 -2.029 9.290 1.00 0.00 C ATOM 0 H ILE A 35 -5.411 -2.587 6.126 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.571 -3.948 7.778 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.608 -4.174 7.647 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.951 -1.814 7.771 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.569 -2.319 9.331 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.403 -4.678 10.064 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.521 -5.869 9.079 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.630 -4.585 9.931 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.495 -0.986 9.601 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.238 -2.656 10.162 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.610 -2.142 8.577 1.00 0.00 H new ATOM 234 N LEU A 36 -5.419 -5.853 5.816 1.00 0.00 N ATOM 235 CA LEU A 36 -5.514 -7.203 5.277 1.00 0.00 C ATOM 236 C LEU A 36 -4.235 -7.594 4.545 1.00 0.00 C ATOM 237 O LEU A 36 -3.736 -8.704 4.703 1.00 0.00 O ATOM 238 CB LEU A 36 -6.697 -7.286 4.310 1.00 0.00 C ATOM 239 CG LEU A 36 -8.023 -7.358 5.091 1.00 0.00 C ATOM 240 CD1 LEU A 36 -9.207 -7.310 4.104 1.00 0.00 C ATOM 241 CD2 LEU A 36 -8.089 -8.655 5.940 1.00 0.00 C ATOM 0 H LEU A 36 -6.100 -5.192 5.442 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.661 -7.893 6.108 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.701 -6.416 3.654 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.594 -8.165 3.673 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.080 -6.504 5.766 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -10.145 -7.361 4.658 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.171 -6.380 3.537 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -9.144 -8.155 3.419 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -9.033 -8.686 6.484 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -8.019 -9.523 5.284 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.261 -8.668 6.649 1.00 0.00 H new ATOM 253 N HIS A 37 -3.712 -6.678 3.749 1.00 0.00 N ATOM 254 CA HIS A 37 -2.497 -6.948 2.998 1.00 0.00 C ATOM 255 C HIS A 37 -1.315 -7.143 3.937 1.00 0.00 C ATOM 256 O HIS A 37 -0.486 -8.026 3.728 1.00 0.00 O ATOM 257 CB HIS A 37 -2.211 -5.792 2.048 1.00 0.00 C ATOM 258 CG HIS A 37 -0.989 -6.109 1.236 1.00 0.00 C ATOM 259 ND1 HIS A 37 0.318 -6.328 1.597 1.00 0.00 N flip ATOM 260 CD2 HIS A 37 -1.028 -6.239 -0.142 1.00 0.00 C flip ATOM 261 CE1 HIS A 37 1.079 -6.588 0.461 1.00 0.00 C flip ATOM 262 NE2 HIS A 37 0.219 -6.524 -0.557 1.00 0.00 N flip ATOM 0 H HIS A 37 -4.105 -5.748 3.606 1.00 0.00 H new ATOM 0 HA HIS A 37 -2.641 -7.864 2.426 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -3.065 -5.626 1.391 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -2.059 -4.872 2.612 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -1.901 -6.131 -0.769 1.00 0.00 H new ATOM 0 HE1 HIS A 37 2.138 -6.797 0.414 1.00 0.00 H new ATOM 0 HE2 HIS A 37 0.476 -6.673 -1.533 1.00 0.00 H new ATOM 270 N LEU A 38 -1.237 -6.306 4.961 1.00 0.00 N ATOM 271 CA LEU A 38 -0.142 -6.387 5.920 1.00 0.00 C ATOM 272 C LEU A 38 -0.152 -7.729 6.642 1.00 0.00 C ATOM 273 O LEU A 38 0.897 -8.314 6.878 1.00 0.00 O ATOM 274 CB LEU A 38 -0.248 -5.230 6.941 1.00 0.00 C ATOM 275 CG LEU A 38 0.815 -4.165 6.640 1.00 0.00 C ATOM 276 CD1 LEU A 38 0.476 -2.882 7.398 1.00 0.00 C ATOM 277 CD2 LEU A 38 2.213 -4.688 7.053 1.00 0.00 C ATOM 0 H LEU A 38 -1.914 -5.567 5.150 1.00 0.00 H new ATOM 0 HA LEU A 38 0.799 -6.299 5.378 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.242 -4.786 6.897 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.114 -5.613 7.953 1.00 0.00 H new ATOM 0 HG LEU A 38 0.828 -3.951 5.571 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.230 -2.124 7.186 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.502 -2.520 7.081 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.458 -3.086 8.469 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.964 -3.928 6.837 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.218 -4.910 8.120 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.442 -5.594 6.493 1.00 0.00 H new ATOM 289 N ILE A 39 -1.334 -8.202 6.996 1.00 0.00 N ATOM 290 CA ILE A 39 -1.439 -9.469 7.704 1.00 0.00 C ATOM 291 C ILE A 39 -0.886 -10.606 6.849 1.00 0.00 C ATOM 292 O ILE A 39 -0.151 -11.457 7.337 1.00 0.00 O ATOM 293 CB ILE A 39 -2.908 -9.741 8.042 1.00 0.00 C ATOM 294 CG1 ILE A 39 -3.378 -8.755 9.117 1.00 0.00 C ATOM 295 CG2 ILE A 39 -3.069 -11.173 8.559 1.00 0.00 C ATOM 296 CD1 ILE A 39 -4.907 -8.783 9.202 1.00 0.00 C ATOM 0 H ILE A 39 -2.223 -7.738 6.809 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.855 -9.411 8.623 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.510 -9.615 7.142 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.945 -9.019 10.082 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.035 -7.749 8.878 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.116 -11.358 8.797 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.741 -11.875 7.793 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.464 -11.306 9.456 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.242 -8.082 9.966 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.330 -8.499 8.239 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.239 -9.788 9.462 1.00 0.00 H new ATOM 308 N LEU A 40 -1.243 -10.620 5.579 1.00 0.00 N ATOM 309 CA LEU A 40 -0.758 -11.661 4.678 1.00 0.00 C ATOM 310 C LEU A 40 0.707 -11.436 4.313 1.00 0.00 C ATOM 311 O LEU A 40 1.498 -12.379 4.251 1.00 0.00 O ATOM 312 CB LEU A 40 -1.608 -11.684 3.416 1.00 0.00 C ATOM 313 CG LEU A 40 -3.087 -11.804 3.800 1.00 0.00 C ATOM 314 CD1 LEU A 40 -3.945 -11.727 2.535 1.00 0.00 C ATOM 315 CD2 LEU A 40 -3.340 -13.143 4.518 1.00 0.00 C ATOM 0 H LEU A 40 -1.860 -9.933 5.146 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.836 -12.620 5.190 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.444 -10.775 2.837 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.316 -12.522 2.783 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.351 -10.988 4.473 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.998 -11.812 2.804 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.774 -10.773 2.037 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.675 -12.541 1.862 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.394 -13.218 4.787 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.075 -13.967 3.856 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.731 -13.193 5.421 1.00 0.00 H new ATOM 327 N TRP A 41 1.054 -10.181 4.054 1.00 0.00 N ATOM 328 CA TRP A 41 2.417 -9.840 3.672 1.00 0.00 C ATOM 329 C TRP A 41 3.397 -10.036 4.825 1.00 0.00 C ATOM 330 O TRP A 41 4.473 -10.609 4.645 1.00 0.00 O ATOM 331 CB TRP A 41 2.474 -8.389 3.175 1.00 0.00 C ATOM 332 CG TRP A 41 3.901 -7.981 2.977 1.00 0.00 C ATOM 333 CD1 TRP A 41 4.646 -8.254 1.882 1.00 0.00 C ATOM 334 CD2 TRP A 41 4.744 -7.181 3.857 1.00 0.00 C ATOM 335 NE1 TRP A 41 5.912 -7.727 2.063 1.00 0.00 N ATOM 336 CE2 TRP A 41 6.014 -7.046 3.256 1.00 0.00 C ATOM 337 CE3 TRP A 41 4.538 -6.580 5.111 1.00 0.00 C ATOM 338 CZ2 TRP A 41 7.041 -6.341 3.875 1.00 0.00 C ATOM 339 CZ3 TRP A 41 5.571 -5.858 5.730 1.00 0.00 C ATOM 340 CH2 TRP A 41 6.818 -5.743 5.113 1.00 0.00 C ATOM 0 H TRP A 41 0.414 -9.388 4.101 1.00 0.00 H new ATOM 0 HA TRP A 41 2.714 -10.514 2.869 1.00 0.00 H new ATOM 0 HB2 TRP A 41 1.925 -8.293 2.238 1.00 0.00 H new ATOM 0 HB3 TRP A 41 1.993 -7.728 3.896 1.00 0.00 H new ATOM 0 HD1 TRP A 41 4.308 -8.794 1.010 1.00 0.00 H new ATOM 0 HE1 TRP A 41 6.676 -7.830 1.395 1.00 0.00 H new ATOM 0 HE3 TRP A 41 3.580 -6.674 5.601 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 8.006 -6.258 3.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 5.400 -5.389 6.688 1.00 0.00 H new ATOM 0 HH2 TRP A 41 7.610 -5.190 5.596 1.00 0.00 H new ATOM 351 N ILE A 42 3.030 -9.549 5.995 1.00 0.00 N ATOM 352 CA ILE A 42 3.897 -9.665 7.154 1.00 0.00 C ATOM 353 C ILE A 42 4.140 -11.132 7.485 1.00 0.00 C ATOM 354 O ILE A 42 5.243 -11.514 7.877 1.00 0.00 O ATOM 355 CB ILE A 42 3.252 -8.959 8.358 1.00 0.00 C ATOM 356 CG1 ILE A 42 4.285 -8.792 9.472 1.00 0.00 C ATOM 357 CG2 ILE A 42 2.071 -9.790 8.882 1.00 0.00 C ATOM 358 CD1 ILE A 42 3.710 -7.885 10.562 1.00 0.00 C ATOM 0 H ILE A 42 2.145 -9.073 6.169 1.00 0.00 H new ATOM 0 HA ILE A 42 4.853 -9.192 6.929 1.00 0.00 H new ATOM 0 HB ILE A 42 2.893 -7.979 8.043 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.545 -9.764 9.891 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.203 -8.362 9.071 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.619 -9.283 9.735 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.328 -9.904 8.093 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.426 -10.773 9.191 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.444 -7.763 11.359 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.472 -6.910 10.136 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.804 -8.334 10.969 1.00 0.00 H new ATOM 370 N LEU A 43 3.101 -11.949 7.341 1.00 0.00 N ATOM 371 CA LEU A 43 3.222 -13.366 7.647 1.00 0.00 C ATOM 372 C LEU A 43 4.263 -14.011 6.731 1.00 0.00 C ATOM 373 O LEU A 43 5.072 -14.834 7.164 1.00 0.00 O ATOM 374 CB LEU A 43 1.854 -14.058 7.467 1.00 0.00 C ATOM 375 CG LEU A 43 1.730 -15.247 8.424 1.00 0.00 C ATOM 376 CD1 LEU A 43 0.369 -15.920 8.227 1.00 0.00 C ATOM 377 CD2 LEU A 43 2.859 -16.254 8.169 1.00 0.00 C ATOM 0 H LEU A 43 2.178 -11.657 7.019 1.00 0.00 H new ATOM 0 HA LEU A 43 3.545 -13.482 8.682 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.051 -13.346 7.655 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.743 -14.398 6.437 1.00 0.00 H new ATOM 0 HG LEU A 43 1.810 -14.890 9.451 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.280 -16.767 8.908 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.425 -15.203 8.434 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.282 -16.271 7.199 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.759 -17.094 8.856 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.799 -16.615 7.142 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.822 -15.769 8.327 1.00 0.00 H new ATOM 389 N ASP A 44 4.243 -13.632 5.460 1.00 0.00 N ATOM 390 CA ASP A 44 5.184 -14.191 4.499 1.00 0.00 C ATOM 391 C ASP A 44 6.617 -13.905 4.928 1.00 0.00 C ATOM 392 O ASP A 44 7.487 -14.770 4.831 1.00 0.00 O ATOM 393 CB ASP A 44 4.936 -13.586 3.116 1.00 0.00 C ATOM 394 CG ASP A 44 3.645 -14.142 2.522 1.00 0.00 C ATOM 395 OD1 ASP A 44 3.183 -15.159 3.011 1.00 0.00 O ATOM 396 OD2 ASP A 44 3.142 -13.545 1.586 1.00 0.00 O ATOM 0 H ASP A 44 3.593 -12.947 5.074 1.00 0.00 H new ATOM 0 HA ASP A 44 5.036 -15.270 4.457 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.872 -12.501 3.192 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.775 -13.811 2.457 1.00 0.00 H new ATOM 401 N ARG A 45 6.856 -12.692 5.408 1.00 0.00 N ATOM 402 CA ARG A 45 8.191 -12.314 5.851 1.00 0.00 C ATOM 403 C ARG A 45 8.597 -13.138 7.069 1.00 0.00 C ATOM 404 O ARG A 45 9.782 -13.276 7.372 1.00 0.00 O ATOM 405 CB ARG A 45 8.216 -10.823 6.209 1.00 0.00 C ATOM 406 CG ARG A 45 9.641 -10.402 6.583 1.00 0.00 C ATOM 407 CD ARG A 45 9.666 -8.911 6.917 1.00 0.00 C ATOM 408 NE ARG A 45 11.039 -8.467 7.120 1.00 0.00 N ATOM 409 CZ ARG A 45 11.307 -7.326 7.743 1.00 0.00 C ATOM 410 NH1 ARG A 45 10.331 -6.585 8.191 1.00 0.00 N ATOM 411 NH2 ARG A 45 12.544 -6.948 7.913 1.00 0.00 N ATOM 0 H ARG A 45 6.152 -11.960 5.500 1.00 0.00 H new ATOM 0 HA ARG A 45 8.896 -12.506 5.042 1.00 0.00 H new ATOM 0 HB2 ARG A 45 7.862 -10.231 5.365 1.00 0.00 H new ATOM 0 HB3 ARG A 45 7.539 -10.628 7.041 1.00 0.00 H new ATOM 0 HG2 ARG A 45 9.990 -10.982 7.438 1.00 0.00 H new ATOM 0 HG3 ARG A 45 10.321 -10.611 5.757 1.00 0.00 H new ATOM 0 HD2 ARG A 45 9.207 -8.341 6.109 1.00 0.00 H new ATOM 0 HD3 ARG A 45 9.078 -8.721 7.815 1.00 0.00 H new ATOM 0 HE ARG A 45 11.808 -9.043 6.777 1.00 0.00 H new ATOM 0 HH11 ARG A 45 9.364 -6.883 8.062 1.00 0.00 H new ATOM 0 HH12 ARG A 45 10.535 -5.708 8.670 1.00 0.00 H new ATOM 0 HH21 ARG A 45 13.307 -7.530 7.567 1.00 0.00 H new ATOM 0 HH22 ARG A 45 12.748 -6.071 8.392 1.00 0.00 H new ATOM 425 N LEU A 46 7.611 -13.679 7.772 1.00 0.00 N ATOM 426 CA LEU A 46 7.896 -14.468 8.961 1.00 0.00 C ATOM 427 C LEU A 46 8.733 -15.698 8.595 1.00 0.00 C ATOM 428 O LEU A 46 9.723 -16.013 9.253 1.00 0.00 O ATOM 429 CB LEU A 46 6.573 -14.906 9.616 1.00 0.00 C ATOM 430 CG LEU A 46 6.770 -15.124 11.125 1.00 0.00 C ATOM 431 CD1 LEU A 46 5.426 -15.471 11.768 1.00 0.00 C ATOM 432 CD2 LEU A 46 7.784 -16.255 11.375 1.00 0.00 C ATOM 0 H LEU A 46 6.621 -13.588 7.544 1.00 0.00 H new ATOM 0 HA LEU A 46 8.464 -13.860 9.665 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.808 -14.148 9.448 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.217 -15.826 9.152 1.00 0.00 H new ATOM 0 HG LEU A 46 7.159 -14.208 11.571 1.00 0.00 H new ATOM 0 HD11 LEU A 46 5.564 -15.626 12.838 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.724 -14.653 11.607 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.031 -16.382 11.317 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.913 -16.398 12.448 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.416 -17.179 10.928 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.742 -15.991 10.926 1.00 0.00 H new ATOM 444 N PHE A 47 8.330 -16.384 7.534 1.00 0.00 N ATOM 445 CA PHE A 47 9.049 -17.572 7.097 1.00 0.00 C ATOM 446 C PHE A 47 10.481 -17.228 6.718 1.00 0.00 C ATOM 447 O PHE A 47 11.419 -17.918 7.118 1.00 0.00 O ATOM 448 CB PHE A 47 8.339 -18.205 5.900 1.00 0.00 C ATOM 449 CG PHE A 47 7.052 -18.852 6.358 1.00 0.00 C ATOM 450 CD1 PHE A 47 7.095 -20.061 7.066 1.00 0.00 C ATOM 451 CD2 PHE A 47 5.821 -18.248 6.081 1.00 0.00 C ATOM 452 CE1 PHE A 47 5.906 -20.664 7.491 1.00 0.00 C ATOM 453 CE2 PHE A 47 4.632 -18.853 6.508 1.00 0.00 C ATOM 454 CZ PHE A 47 4.675 -20.060 7.214 1.00 0.00 C ATOM 0 H PHE A 47 7.518 -16.142 6.966 1.00 0.00 H new ATOM 0 HA PHE A 47 9.068 -18.282 7.924 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.128 -17.446 5.146 1.00 0.00 H new ATOM 0 HB3 PHE A 47 8.985 -18.948 5.432 1.00 0.00 H new ATOM 0 HD1 PHE A 47 8.045 -20.527 7.283 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.787 -17.315 5.538 1.00 0.00 H new ATOM 0 HE1 PHE A 47 5.939 -21.597 8.034 1.00 0.00 H new ATOM 0 HE2 PHE A 47 3.682 -18.387 6.292 1.00 0.00 H new ATOM 0 HZ PHE A 47 3.758 -20.525 7.545 1.00 0.00 H new ATOM 464 N PHE A 48 10.648 -16.159 5.943 1.00 0.00 N ATOM 465 CA PHE A 48 11.979 -15.733 5.508 1.00 0.00 C ATOM 466 C PHE A 48 12.370 -14.431 6.195 1.00 0.00 C ATOM 467 O PHE A 48 11.709 -13.406 6.026 1.00 0.00 O ATOM 468 CB PHE A 48 11.983 -15.528 3.991 1.00 0.00 C ATOM 469 CG PHE A 48 11.210 -16.649 3.325 1.00 0.00 C ATOM 470 CD1 PHE A 48 11.465 -17.988 3.662 1.00 0.00 C ATOM 471 CD2 PHE A 48 10.224 -16.346 2.376 1.00 0.00 C ATOM 472 CE1 PHE A 48 10.740 -19.014 3.042 1.00 0.00 C ATOM 473 CE2 PHE A 48 9.502 -17.374 1.760 1.00 0.00 C ATOM 474 CZ PHE A 48 9.759 -18.707 2.095 1.00 0.00 C ATOM 0 H PHE A 48 9.884 -15.574 5.604 1.00 0.00 H new ATOM 0 HA PHE A 48 12.699 -16.506 5.777 1.00 0.00 H new ATOM 0 HB2 PHE A 48 11.535 -14.566 3.743 1.00 0.00 H new ATOM 0 HB3 PHE A 48 13.007 -15.508 3.619 1.00 0.00 H new ATOM 0 HD1 PHE A 48 12.219 -18.227 4.398 1.00 0.00 H new ATOM 0 HD2 PHE A 48 10.021 -15.317 2.120 1.00 0.00 H new ATOM 0 HE1 PHE A 48 10.940 -20.044 3.296 1.00 0.00 H new ATOM 0 HE2 PHE A 48 8.746 -17.138 1.026 1.00 0.00 H new ATOM 0 HZ PHE A 48 9.199 -19.500 1.622 1.00 0.00 H new ATOM 484 N LYS A 49 13.450 -14.478 6.966 1.00 0.00 N ATOM 485 CA LYS A 49 13.928 -13.298 7.676 1.00 0.00 C ATOM 486 C LYS A 49 15.440 -13.353 7.841 1.00 0.00 C ATOM 487 O LYS A 49 16.061 -12.303 7.779 1.00 0.00 O ATOM 488 CB LYS A 49 13.264 -13.220 9.051 1.00 0.00 C ATOM 489 CG LYS A 49 13.651 -11.903 9.731 1.00 0.00 C ATOM 490 CD LYS A 49 13.016 -11.827 11.125 1.00 0.00 C ATOM 491 CE LYS A 49 11.518 -11.515 11.018 1.00 0.00 C ATOM 492 NZ LYS A 49 10.996 -11.139 12.359 1.00 0.00 N ATOM 493 OXT LYS A 49 15.958 -14.441 8.031 1.00 0.00 O ATOM 0 H LYS A 49 14.010 -15.318 7.115 1.00 0.00 H new ATOM 0 HA LYS A 49 13.670 -12.412 7.096 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.181 -13.284 8.948 1.00 0.00 H new ATOM 0 HB3 LYS A 49 13.576 -14.064 9.666 1.00 0.00 H new ATOM 0 HG2 LYS A 49 14.736 -11.831 9.812 1.00 0.00 H new ATOM 0 HG3 LYS A 49 13.320 -11.060 9.125 1.00 0.00 H new ATOM 0 HD2 LYS A 49 13.160 -12.772 11.648 1.00 0.00 H new ATOM 0 HD3 LYS A 49 13.512 -11.057 11.715 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.354 -10.702 10.310 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.981 -12.383 10.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.980 -10.927 12.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.140 -11.928 13.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.502 -10.299 12.705 1.00 0.00 H new TER 507 LYS A 49 ATOM 508 N SER B 19 -16.618 21.393 -6.328 1.00 0.00 N ATOM 509 CA SER B 19 -17.668 20.480 -6.857 1.00 0.00 C ATOM 510 C SER B 19 -17.137 19.050 -6.867 1.00 0.00 C ATOM 511 O SER B 19 -16.334 18.684 -7.725 1.00 0.00 O ATOM 512 CB SER B 19 -18.042 20.906 -8.277 1.00 0.00 C ATOM 513 OG SER B 19 -18.431 22.273 -8.270 1.00 0.00 O ATOM 0 HA SER B 19 -18.553 20.530 -6.223 1.00 0.00 H new ATOM 0 HB2 SER B 19 -17.195 20.760 -8.948 1.00 0.00 H new ATOM 0 HB3 SER B 19 -18.856 20.286 -8.652 1.00 0.00 H new ATOM 0 HG SER B 19 -18.003 22.731 -7.517 1.00 0.00 H new ATOM 521 N ASN B 20 -17.593 18.247 -5.909 1.00 0.00 N ATOM 522 CA ASN B 20 -17.160 16.855 -5.819 1.00 0.00 C ATOM 523 C ASN B 20 -15.639 16.764 -5.753 1.00 0.00 C ATOM 524 O ASN B 20 -15.018 16.019 -6.510 1.00 0.00 O ATOM 525 CB ASN B 20 -17.667 16.073 -7.031 1.00 0.00 C ATOM 526 CG ASN B 20 -19.179 15.906 -6.948 1.00 0.00 C ATOM 527 OD1 ASN B 20 -19.761 16.046 -5.872 1.00 0.00 O ATOM 528 ND2 ASN B 20 -19.854 15.614 -8.026 1.00 0.00 N ATOM 0 H ASN B 20 -18.257 18.533 -5.189 1.00 0.00 H new ATOM 0 HA ASN B 20 -17.575 16.426 -4.907 1.00 0.00 H new ATOM 0 HB2 ASN B 20 -17.401 16.596 -7.949 1.00 0.00 H new ATOM 0 HB3 ASN B 20 -17.186 15.095 -7.070 1.00 0.00 H new ATOM 0 HD21 ASN B 20 -20.867 15.501 -7.979 1.00 0.00 H new ATOM 0 HD22 ASN B 20 -19.369 15.499 -8.916 1.00 0.00 H new ATOM 535 N ASP B 21 -15.043 17.531 -4.846 1.00 0.00 N ATOM 536 CA ASP B 21 -13.592 17.536 -4.697 1.00 0.00 C ATOM 537 C ASP B 21 -13.110 16.167 -4.216 1.00 0.00 C ATOM 538 O ASP B 21 -12.052 15.690 -4.627 1.00 0.00 O ATOM 539 CB ASP B 21 -13.181 18.625 -3.688 1.00 0.00 C ATOM 540 CG ASP B 21 -13.058 19.989 -4.374 1.00 0.00 C ATOM 541 OD1 ASP B 21 -13.188 20.043 -5.586 1.00 0.00 O ATOM 542 OD2 ASP B 21 -12.847 20.963 -3.668 1.00 0.00 O ATOM 0 H ASP B 21 -15.538 18.153 -4.207 1.00 0.00 H new ATOM 0 HA ASP B 21 -13.133 17.749 -5.662 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -13.919 18.681 -2.888 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -12.230 18.359 -3.227 1.00 0.00 H new ATOM 547 N SER B 22 -13.892 15.541 -3.343 1.00 0.00 N ATOM 548 CA SER B 22 -13.529 14.234 -2.813 1.00 0.00 C ATOM 549 C SER B 22 -13.448 13.206 -3.937 1.00 0.00 C ATOM 550 O SER B 22 -12.778 12.181 -3.809 1.00 0.00 O ATOM 551 CB SER B 22 -14.566 13.782 -1.785 1.00 0.00 C ATOM 552 OG SER B 22 -15.838 13.692 -2.412 1.00 0.00 O ATOM 0 H SER B 22 -14.773 15.914 -2.991 1.00 0.00 H new ATOM 0 HA SER B 22 -12.553 14.315 -2.335 1.00 0.00 H new ATOM 0 HB2 SER B 22 -14.284 12.815 -1.367 1.00 0.00 H new ATOM 0 HB3 SER B 22 -14.605 14.488 -0.956 1.00 0.00 H new ATOM 0 HG SER B 22 -16.506 13.401 -1.757 1.00 0.00 H new ATOM 558 N SER B 23 -14.131 13.492 -5.039 1.00 0.00 N ATOM 559 CA SER B 23 -14.133 12.592 -6.186 1.00 0.00 C ATOM 560 C SER B 23 -12.849 12.749 -6.989 1.00 0.00 C ATOM 561 O SER B 23 -12.663 12.096 -8.014 1.00 0.00 O ATOM 562 CB SER B 23 -15.338 12.878 -7.082 1.00 0.00 C ATOM 563 OG SER B 23 -16.498 13.003 -6.272 1.00 0.00 O ATOM 0 H SER B 23 -14.689 14.337 -5.163 1.00 0.00 H new ATOM 0 HA SER B 23 -14.197 11.568 -5.817 1.00 0.00 H new ATOM 0 HB2 SER B 23 -15.175 13.794 -7.650 1.00 0.00 H new ATOM 0 HB3 SER B 23 -15.469 12.073 -7.805 1.00 0.00 H new ATOM 0 HG SER B 23 -17.297 12.869 -6.823 1.00 0.00 H new ATOM 569 N ASP B 24 -11.971 13.630 -6.522 1.00 0.00 N ATOM 570 CA ASP B 24 -10.714 13.878 -7.215 1.00 0.00 C ATOM 571 C ASP B 24 -10.077 12.558 -7.663 1.00 0.00 C ATOM 572 O ASP B 24 -10.299 11.514 -7.049 1.00 0.00 O ATOM 573 CB ASP B 24 -9.746 14.638 -6.287 1.00 0.00 C ATOM 574 CG ASP B 24 -10.000 16.140 -6.371 1.00 0.00 C ATOM 575 OD1 ASP B 24 -11.046 16.515 -6.875 1.00 0.00 O ATOM 576 OD2 ASP B 24 -9.144 16.892 -5.933 1.00 0.00 O ATOM 0 H ASP B 24 -12.105 14.180 -5.673 1.00 0.00 H new ATOM 0 HA ASP B 24 -10.917 14.483 -8.098 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -9.874 14.298 -5.259 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -8.716 14.420 -6.569 1.00 0.00 H new ATOM 581 N PRO B 25 -9.296 12.591 -8.715 1.00 0.00 N ATOM 582 CA PRO B 25 -8.616 11.375 -9.251 1.00 0.00 C ATOM 583 C PRO B 25 -7.606 10.798 -8.258 1.00 0.00 C ATOM 584 O PRO B 25 -7.294 9.609 -8.299 1.00 0.00 O ATOM 585 CB PRO B 25 -7.921 11.879 -10.534 1.00 0.00 C ATOM 586 CG PRO B 25 -7.770 13.354 -10.339 1.00 0.00 C ATOM 587 CD PRO B 25 -8.975 13.789 -9.512 1.00 0.00 C ATOM 0 HA PRO B 25 -9.315 10.560 -9.440 1.00 0.00 H new ATOM 0 HB2 PRO B 25 -6.953 11.398 -10.673 1.00 0.00 H new ATOM 0 HB3 PRO B 25 -8.517 11.657 -11.419 1.00 0.00 H new ATOM 0 HG2 PRO B 25 -6.838 13.587 -9.824 1.00 0.00 H new ATOM 0 HG3 PRO B 25 -7.744 13.874 -11.296 1.00 0.00 H new ATOM 0 HD2 PRO B 25 -8.739 14.642 -8.876 1.00 0.00 H new ATOM 0 HD3 PRO B 25 -9.811 14.085 -10.146 1.00 0.00 H new ATOM 595 N LEU B 26 -7.096 11.647 -7.373 1.00 0.00 N ATOM 596 CA LEU B 26 -6.120 11.200 -6.390 1.00 0.00 C ATOM 597 C LEU B 26 -6.733 10.155 -5.461 1.00 0.00 C ATOM 598 O LEU B 26 -6.119 9.127 -5.176 1.00 0.00 O ATOM 599 CB LEU B 26 -5.629 12.404 -5.571 1.00 0.00 C ATOM 600 CG LEU B 26 -4.564 13.169 -6.360 1.00 0.00 C ATOM 601 CD1 LEU B 26 -5.142 13.606 -7.709 1.00 0.00 C ATOM 602 CD2 LEU B 26 -4.133 14.402 -5.564 1.00 0.00 C ATOM 0 H LEU B 26 -7.339 12.636 -7.317 1.00 0.00 H new ATOM 0 HA LEU B 26 -5.278 10.745 -6.912 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -6.466 13.063 -5.339 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -5.217 12.065 -4.621 1.00 0.00 H new ATOM 0 HG LEU B 26 -3.701 12.524 -6.529 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -4.383 14.151 -8.271 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -5.451 12.727 -8.275 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -6.004 14.252 -7.543 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -3.374 14.949 -6.123 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -4.996 15.047 -5.396 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -3.721 14.090 -4.604 1.00 0.00 H new ATOM 614 N VAL B 27 -7.947 10.425 -4.994 1.00 0.00 N ATOM 615 CA VAL B 27 -8.629 9.497 -4.101 1.00 0.00 C ATOM 616 C VAL B 27 -9.000 8.214 -4.839 1.00 0.00 C ATOM 617 O VAL B 27 -8.787 7.107 -4.337 1.00 0.00 O ATOM 618 CB VAL B 27 -9.891 10.154 -3.532 1.00 0.00 C ATOM 619 CG1 VAL B 27 -10.676 9.131 -2.709 1.00 0.00 C ATOM 620 CG2 VAL B 27 -9.496 11.332 -2.639 1.00 0.00 C ATOM 0 H VAL B 27 -8.474 11.270 -5.216 1.00 0.00 H new ATOM 0 HA VAL B 27 -7.954 9.244 -3.284 1.00 0.00 H new ATOM 0 HB VAL B 27 -10.513 10.512 -4.352 1.00 0.00 H new ATOM 0 HG11 VAL B 27 -11.573 9.600 -2.305 1.00 0.00 H new ATOM 0 HG12 VAL B 27 -10.960 8.293 -3.345 1.00 0.00 H new ATOM 0 HG13 VAL B 27 -10.055 8.770 -1.889 1.00 0.00 H new ATOM 0 HG21 VAL B 27 -10.394 11.799 -2.234 1.00 0.00 H new ATOM 0 HG22 VAL B 27 -8.872 10.974 -1.820 1.00 0.00 H new ATOM 0 HG23 VAL B 27 -8.940 12.063 -3.226 1.00 0.00 H new ATOM 630 N VAL B 28 -9.556 8.373 -6.034 1.00 0.00 N ATOM 631 CA VAL B 28 -9.960 7.226 -6.838 1.00 0.00 C ATOM 632 C VAL B 28 -8.744 6.389 -7.219 1.00 0.00 C ATOM 633 O VAL B 28 -8.774 5.161 -7.138 1.00 0.00 O ATOM 634 CB VAL B 28 -10.683 7.697 -8.104 1.00 0.00 C ATOM 635 CG1 VAL B 28 -10.948 6.499 -9.023 1.00 0.00 C ATOM 636 CG2 VAL B 28 -12.014 8.348 -7.720 1.00 0.00 C ATOM 0 H VAL B 28 -9.737 9.279 -6.466 1.00 0.00 H new ATOM 0 HA VAL B 28 -10.639 6.612 -6.247 1.00 0.00 H new ATOM 0 HB VAL B 28 -10.059 8.422 -8.626 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -11.462 6.837 -9.923 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -10.001 6.036 -9.299 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -11.570 5.771 -8.502 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -12.528 8.683 -8.621 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -12.636 7.623 -7.196 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -11.827 9.203 -7.070 1.00 0.00 H new ATOM 646 N ALA B 29 -7.680 7.060 -7.637 1.00 0.00 N ATOM 647 CA ALA B 29 -6.462 6.367 -8.034 1.00 0.00 C ATOM 648 C ALA B 29 -5.896 5.569 -6.865 1.00 0.00 C ATOM 649 O ALA B 29 -5.453 4.437 -7.036 1.00 0.00 O ATOM 650 CB ALA B 29 -5.418 7.378 -8.512 1.00 0.00 C ATOM 0 H ALA B 29 -7.635 8.076 -7.710 1.00 0.00 H new ATOM 0 HA ALA B 29 -6.705 5.682 -8.846 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -4.510 6.852 -8.807 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -5.811 7.931 -9.366 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -5.188 8.073 -7.704 1.00 0.00 H new ATOM 656 N ALA B 30 -5.917 6.162 -5.679 1.00 0.00 N ATOM 657 CA ALA B 30 -5.396 5.488 -4.495 1.00 0.00 C ATOM 658 C ALA B 30 -6.049 4.122 -4.323 1.00 0.00 C ATOM 659 O ALA B 30 -5.367 3.113 -4.147 1.00 0.00 O ATOM 660 CB ALA B 30 -5.661 6.341 -3.255 1.00 0.00 C ATOM 0 H ALA B 30 -6.285 7.098 -5.510 1.00 0.00 H new ATOM 0 HA ALA B 30 -4.322 5.349 -4.621 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -5.270 5.833 -2.374 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -5.168 7.307 -3.366 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -6.734 6.492 -3.140 1.00 0.00 H new ATOM 666 N SER B 31 -7.374 4.096 -4.378 1.00 0.00 N ATOM 667 CA SER B 31 -8.109 2.842 -4.232 1.00 0.00 C ATOM 668 C SER B 31 -7.762 1.878 -5.362 1.00 0.00 C ATOM 669 O SER B 31 -7.564 0.689 -5.133 1.00 0.00 O ATOM 670 CB SER B 31 -9.610 3.111 -4.231 1.00 0.00 C ATOM 671 OG SER B 31 -10.305 1.888 -4.435 1.00 0.00 O ATOM 0 H SER B 31 -7.959 4.919 -4.521 1.00 0.00 H new ATOM 0 HA SER B 31 -7.823 2.387 -3.284 1.00 0.00 H new ATOM 0 HB2 SER B 31 -9.910 3.560 -3.284 1.00 0.00 H new ATOM 0 HB3 SER B 31 -9.864 3.823 -5.016 1.00 0.00 H new ATOM 0 HG SER B 31 -11.270 2.056 -4.434 1.00 0.00 H new ATOM 677 N ILE B 32 -7.692 2.404 -6.580 1.00 0.00 N ATOM 678 CA ILE B 32 -7.377 1.582 -7.746 1.00 0.00 C ATOM 679 C ILE B 32 -5.985 0.968 -7.617 1.00 0.00 C ATOM 680 O ILE B 32 -5.781 -0.200 -7.945 1.00 0.00 O ATOM 681 CB ILE B 32 -7.455 2.425 -9.022 1.00 0.00 C ATOM 682 CG1 ILE B 32 -8.909 2.815 -9.289 1.00 0.00 C ATOM 683 CG2 ILE B 32 -6.914 1.617 -10.208 1.00 0.00 C ATOM 684 CD1 ILE B 32 -8.961 3.847 -10.418 1.00 0.00 C ATOM 0 H ILE B 32 -7.848 3.391 -6.787 1.00 0.00 H new ATOM 0 HA ILE B 32 -8.108 0.776 -7.802 1.00 0.00 H new ATOM 0 HB ILE B 32 -6.855 3.326 -8.896 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -9.489 1.933 -9.561 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -9.358 3.226 -8.385 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -6.971 2.219 -11.115 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -5.876 1.343 -10.019 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -7.510 0.713 -10.335 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -9.997 4.126 -10.609 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -8.395 4.732 -10.128 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -8.528 3.419 -11.322 1.00 0.00 H new ATOM 696 N ILE B 33 -5.035 1.761 -7.147 1.00 0.00 N ATOM 697 CA ILE B 33 -3.670 1.277 -6.991 1.00 0.00 C ATOM 698 C ILE B 33 -3.628 0.066 -6.067 1.00 0.00 C ATOM 699 O ILE B 33 -2.928 -0.909 -6.344 1.00 0.00 O ATOM 700 CB ILE B 33 -2.790 2.393 -6.409 1.00 0.00 C ATOM 701 CG1 ILE B 33 -2.561 3.479 -7.466 1.00 0.00 C ATOM 702 CG2 ILE B 33 -1.439 1.825 -5.958 1.00 0.00 C ATOM 703 CD1 ILE B 33 -2.019 4.745 -6.793 1.00 0.00 C ATOM 0 H ILE B 33 -5.180 2.732 -6.869 1.00 0.00 H new ATOM 0 HA ILE B 33 -3.295 0.982 -7.971 1.00 0.00 H new ATOM 0 HB ILE B 33 -3.299 2.825 -5.547 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -1.857 3.125 -8.219 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -3.495 3.701 -7.982 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -0.826 2.627 -5.548 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -1.601 1.065 -5.194 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -0.929 1.379 -6.812 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -1.857 5.516 -7.546 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -2.739 5.102 -6.057 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -1.075 4.518 -6.297 1.00 0.00 H new ATOM 715 N GLY B 34 -4.364 0.132 -4.971 1.00 0.00 N ATOM 716 CA GLY B 34 -4.379 -0.969 -4.019 1.00 0.00 C ATOM 717 C GLY B 34 -4.871 -2.257 -4.672 1.00 0.00 C ATOM 718 O GLY B 34 -4.237 -3.301 -4.548 1.00 0.00 O ATOM 0 H GLY B 34 -4.953 0.926 -4.718 1.00 0.00 H new ATOM 0 HA2 GLY B 34 -3.376 -1.121 -3.619 1.00 0.00 H new ATOM 0 HA3 GLY B 34 -5.023 -0.716 -3.177 1.00 0.00 H new ATOM 722 N ILE B 35 -6.004 -2.175 -5.360 1.00 0.00 N ATOM 723 CA ILE B 35 -6.570 -3.350 -6.018 1.00 0.00 C ATOM 724 C ILE B 35 -5.644 -3.870 -7.106 1.00 0.00 C ATOM 725 O ILE B 35 -5.382 -5.065 -7.187 1.00 0.00 O ATOM 726 CB ILE B 35 -7.926 -3.000 -6.633 1.00 0.00 C ATOM 727 CG1 ILE B 35 -8.835 -2.387 -5.559 1.00 0.00 C ATOM 728 CG2 ILE B 35 -8.584 -4.258 -7.203 1.00 0.00 C ATOM 729 CD1 ILE B 35 -8.986 -3.334 -4.358 1.00 0.00 C ATOM 0 H ILE B 35 -6.545 -1.318 -5.477 1.00 0.00 H new ATOM 0 HA ILE B 35 -6.694 -4.129 -5.266 1.00 0.00 H new ATOM 0 HB ILE B 35 -7.776 -2.281 -7.438 1.00 0.00 H new ATOM 0 HG12 ILE B 35 -8.420 -1.436 -5.226 1.00 0.00 H new ATOM 0 HG13 ILE B 35 -9.816 -2.175 -5.985 1.00 0.00 H new ATOM 0 HG21 ILE B 35 -9.549 -3.998 -7.639 1.00 0.00 H new ATOM 0 HG22 ILE B 35 -7.942 -4.688 -7.972 1.00 0.00 H new ATOM 0 HG23 ILE B 35 -8.730 -4.986 -6.405 1.00 0.00 H new ATOM 0 HD11 ILE B 35 -9.635 -2.875 -3.612 1.00 0.00 H new ATOM 0 HD12 ILE B 35 -9.424 -4.275 -4.690 1.00 0.00 H new ATOM 0 HD13 ILE B 35 -8.007 -3.524 -3.919 1.00 0.00 H new ATOM 741 N LEU B 36 -5.159 -2.974 -7.948 1.00 0.00 N ATOM 742 CA LEU B 36 -4.279 -3.379 -9.037 1.00 0.00 C ATOM 743 C LEU B 36 -2.996 -4.006 -8.503 1.00 0.00 C ATOM 744 O LEU B 36 -2.537 -5.025 -9.010 1.00 0.00 O ATOM 745 CB LEU B 36 -3.932 -2.162 -9.895 1.00 0.00 C ATOM 746 CG LEU B 36 -5.118 -1.795 -10.810 1.00 0.00 C ATOM 747 CD1 LEU B 36 -4.800 -0.492 -11.571 1.00 0.00 C ATOM 748 CD2 LEU B 36 -5.409 -2.942 -11.813 1.00 0.00 C ATOM 0 H LEU B 36 -5.354 -1.974 -7.903 1.00 0.00 H new ATOM 0 HA LEU B 36 -4.801 -4.123 -9.639 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -3.683 -1.316 -9.254 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -3.050 -2.374 -10.499 1.00 0.00 H new ATOM 0 HG LEU B 36 -6.005 -1.646 -10.194 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -5.639 -0.234 -12.217 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -4.630 0.314 -10.857 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -3.905 -0.634 -12.177 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -6.249 -2.664 -12.450 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -4.528 -3.118 -12.430 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -5.655 -3.851 -11.265 1.00 0.00 H new ATOM 760 N HIS B 37 -2.423 -3.390 -7.484 1.00 0.00 N ATOM 761 CA HIS B 37 -1.192 -3.899 -6.902 1.00 0.00 C ATOM 762 C HIS B 37 -1.421 -5.257 -6.254 1.00 0.00 C ATOM 763 O HIS B 37 -0.596 -6.161 -6.378 1.00 0.00 O ATOM 764 CB HIS B 37 -0.670 -2.916 -5.860 1.00 0.00 C ATOM 765 CG HIS B 37 0.631 -3.424 -5.307 1.00 0.00 C ATOM 766 ND1 HIS B 37 0.945 -4.559 -4.605 1.00 0.00 N flip ATOM 767 CD2 HIS B 37 1.820 -2.730 -5.459 1.00 0.00 C flip ATOM 768 CE1 HIS B 37 2.306 -4.573 -4.321 1.00 0.00 C flip ATOM 769 NE2 HIS B 37 2.786 -3.450 -4.859 1.00 0.00 N flip ATOM 0 H HIS B 37 -2.786 -2.544 -7.045 1.00 0.00 H new ATOM 0 HA HIS B 37 -0.456 -4.014 -7.698 1.00 0.00 H new ATOM 0 HB2 HIS B 37 -0.528 -1.933 -6.309 1.00 0.00 H new ATOM 0 HB3 HIS B 37 -1.398 -2.798 -5.058 1.00 0.00 H new ATOM 0 HD2 HIS B 37 1.948 -1.785 -5.966 1.00 0.00 H new ATOM 0 HE1 HIS B 37 2.856 -5.330 -3.781 1.00 0.00 H new ATOM 0 HE2 HIS B 37 3.766 -3.171 -4.820 1.00 0.00 H new ATOM 777 N LEU B 38 -2.539 -5.390 -5.553 1.00 0.00 N ATOM 778 CA LEU B 38 -2.860 -6.640 -4.875 1.00 0.00 C ATOM 779 C LEU B 38 -3.011 -7.777 -5.881 1.00 0.00 C ATOM 780 O LEU B 38 -2.569 -8.890 -5.627 1.00 0.00 O ATOM 781 CB LEU B 38 -4.160 -6.477 -4.055 1.00 0.00 C ATOM 782 CG LEU B 38 -3.829 -6.379 -2.562 1.00 0.00 C ATOM 783 CD1 LEU B 38 -5.050 -5.859 -1.805 1.00 0.00 C ATOM 784 CD2 LEU B 38 -3.406 -7.768 -2.021 1.00 0.00 C ATOM 0 H LEU B 38 -3.235 -4.653 -5.439 1.00 0.00 H new ATOM 0 HA LEU B 38 -2.041 -6.888 -4.199 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -4.693 -5.583 -4.377 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -4.822 -7.324 -4.234 1.00 0.00 H new ATOM 0 HG LEU B 38 -3.000 -5.686 -2.417 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -4.817 -5.789 -0.743 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -5.320 -4.873 -2.183 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -5.886 -6.544 -1.948 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -3.173 -7.689 -0.959 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -4.222 -8.477 -2.162 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -2.526 -8.116 -2.561 1.00 0.00 H new ATOM 796 N ILE B 39 -3.639 -7.493 -7.007 1.00 0.00 N ATOM 797 CA ILE B 39 -3.841 -8.519 -8.016 1.00 0.00 C ATOM 798 C ILE B 39 -2.500 -9.042 -8.523 1.00 0.00 C ATOM 799 O ILE B 39 -2.308 -10.243 -8.673 1.00 0.00 O ATOM 800 CB ILE B 39 -4.646 -7.935 -9.181 1.00 0.00 C ATOM 801 CG1 ILE B 39 -6.086 -7.670 -8.730 1.00 0.00 C ATOM 802 CG2 ILE B 39 -4.654 -8.915 -10.358 1.00 0.00 C ATOM 803 CD1 ILE B 39 -6.786 -6.772 -9.752 1.00 0.00 C ATOM 0 H ILE B 39 -4.014 -6.575 -7.245 1.00 0.00 H new ATOM 0 HA ILE B 39 -4.390 -9.349 -7.572 1.00 0.00 H new ATOM 0 HB ILE B 39 -4.183 -7.000 -9.497 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -6.625 -8.612 -8.628 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -6.089 -7.194 -7.750 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -5.229 -8.490 -11.181 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -3.631 -9.098 -10.686 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -5.108 -9.855 -10.045 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -7.810 -6.584 -9.430 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -6.251 -5.826 -9.831 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -6.796 -7.266 -10.724 1.00 0.00 H new ATOM 815 N LEU B 40 -1.578 -8.138 -8.792 1.00 0.00 N ATOM 816 CA LEU B 40 -0.259 -8.537 -9.274 1.00 0.00 C ATOM 817 C LEU B 40 0.581 -9.134 -8.147 1.00 0.00 C ATOM 818 O LEU B 40 1.290 -10.124 -8.339 1.00 0.00 O ATOM 819 CB LEU B 40 0.456 -7.335 -9.871 1.00 0.00 C ATOM 820 CG LEU B 40 -0.441 -6.682 -10.930 1.00 0.00 C ATOM 821 CD1 LEU B 40 0.237 -5.414 -11.456 1.00 0.00 C ATOM 822 CD2 LEU B 40 -0.683 -7.660 -12.094 1.00 0.00 C ATOM 0 H LEU B 40 -1.710 -7.132 -8.688 1.00 0.00 H new ATOM 0 HA LEU B 40 -0.391 -9.300 -10.041 1.00 0.00 H new ATOM 0 HB2 LEU B 40 0.696 -6.615 -9.088 1.00 0.00 H new ATOM 0 HB3 LEU B 40 1.400 -7.645 -10.319 1.00 0.00 H new ATOM 0 HG LEU B 40 -1.400 -6.426 -10.479 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -0.398 -4.947 -12.209 1.00 0.00 H new ATOM 0 HD12 LEU B 40 0.395 -4.718 -10.633 1.00 0.00 H new ATOM 0 HD13 LEU B 40 1.197 -5.673 -11.901 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -1.321 -7.187 -12.840 1.00 0.00 H new ATOM 0 HD22 LEU B 40 0.271 -7.927 -12.549 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -1.170 -8.560 -11.718 1.00 0.00 H new ATOM 834 N TRP B 41 0.510 -8.510 -6.979 1.00 0.00 N ATOM 835 CA TRP B 41 1.282 -8.969 -5.830 1.00 0.00 C ATOM 836 C TRP B 41 0.788 -10.316 -5.313 1.00 0.00 C ATOM 837 O TRP B 41 1.584 -11.215 -5.041 1.00 0.00 O ATOM 838 CB TRP B 41 1.224 -7.923 -4.711 1.00 0.00 C ATOM 839 CG TRP B 41 1.848 -8.483 -3.470 1.00 0.00 C ATOM 840 CD1 TRP B 41 3.173 -8.511 -3.207 1.00 0.00 C ATOM 841 CD2 TRP B 41 1.187 -9.038 -2.295 1.00 0.00 C ATOM 842 NE1 TRP B 41 3.371 -9.107 -1.976 1.00 0.00 N ATOM 843 CE2 TRP B 41 2.177 -9.434 -1.370 1.00 0.00 C ATOM 844 CE3 TRP B 41 -0.160 -9.251 -1.954 1.00 0.00 C ATOM 845 CZ2 TRP B 41 1.842 -10.015 -0.151 1.00 0.00 C ATOM 846 CZ3 TRP B 41 -0.497 -9.826 -0.719 1.00 0.00 C ATOM 847 CH2 TRP B 41 0.503 -10.210 0.177 1.00 0.00 C ATOM 0 H TRP B 41 -0.070 -7.690 -6.801 1.00 0.00 H new ATOM 0 HA TRP B 41 2.314 -9.101 -6.156 1.00 0.00 H new ATOM 0 HB2 TRP B 41 1.748 -7.018 -5.018 1.00 0.00 H new ATOM 0 HB3 TRP B 41 0.189 -7.641 -4.515 1.00 0.00 H new ATOM 0 HD1 TRP B 41 3.950 -8.130 -3.853 1.00 0.00 H new ATOM 0 HE1 TRP B 41 4.288 -9.283 -1.566 1.00 0.00 H new ATOM 0 HE3 TRP B 41 -0.940 -8.971 -2.646 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 2.618 -10.314 0.538 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 -1.535 -9.972 -0.460 1.00 0.00 H new ATOM 0 HH2 TRP B 41 0.238 -10.658 1.123 1.00 0.00 H new ATOM 858 N ILE B 42 -0.518 -10.445 -5.169 1.00 0.00 N ATOM 859 CA ILE B 42 -1.092 -11.680 -4.666 1.00 0.00 C ATOM 860 C ILE B 42 -0.762 -12.835 -5.605 1.00 0.00 C ATOM 861 O ILE B 42 -0.506 -13.953 -5.161 1.00 0.00 O ATOM 862 CB ILE B 42 -2.615 -11.530 -4.537 1.00 0.00 C ATOM 863 CG1 ILE B 42 -3.180 -12.688 -3.713 1.00 0.00 C ATOM 864 CG2 ILE B 42 -3.263 -11.534 -5.930 1.00 0.00 C ATOM 865 CD1 ILE B 42 -4.650 -12.410 -3.393 1.00 0.00 C ATOM 0 H ILE B 42 -1.197 -9.717 -5.391 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.668 -11.893 -3.685 1.00 0.00 H new ATOM 0 HB ILE B 42 -2.836 -10.586 -4.039 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -3.087 -13.623 -4.266 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -2.611 -12.805 -2.791 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -4.343 -11.427 -5.829 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -2.869 -10.704 -6.517 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -3.037 -12.474 -6.434 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -5.057 -13.233 -2.806 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -4.730 -11.484 -2.824 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -5.213 -12.314 -4.322 1.00 0.00 H new ATOM 877 N LEU B 43 -0.787 -12.560 -6.905 1.00 0.00 N ATOM 878 CA LEU B 43 -0.505 -13.596 -7.888 1.00 0.00 C ATOM 879 C LEU B 43 0.923 -14.117 -7.702 1.00 0.00 C ATOM 880 O LEU B 43 1.179 -15.319 -7.784 1.00 0.00 O ATOM 881 CB LEU B 43 -0.683 -13.029 -9.311 1.00 0.00 C ATOM 882 CG LEU B 43 -1.129 -14.135 -10.273 1.00 0.00 C ATOM 883 CD1 LEU B 43 -1.291 -13.553 -11.679 1.00 0.00 C ATOM 884 CD2 LEU B 43 -0.099 -15.271 -10.288 1.00 0.00 C ATOM 0 H LEU B 43 -0.997 -11.642 -7.297 1.00 0.00 H new ATOM 0 HA LEU B 43 -1.202 -14.422 -7.747 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -1.422 -12.227 -9.300 1.00 0.00 H new ATOM 0 HB3 LEU B 43 0.255 -12.594 -9.656 1.00 0.00 H new ATOM 0 HG LEU B 43 -2.085 -14.538 -9.938 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -1.608 -14.339 -12.364 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -2.041 -12.763 -11.661 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -0.339 -13.142 -12.015 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -0.427 -16.051 -10.975 1.00 0.00 H new ATOM 0 HD22 LEU B 43 0.866 -14.883 -10.614 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -0.003 -15.688 -9.286 1.00 0.00 H new ATOM 896 N ASP B 44 1.852 -13.205 -7.452 1.00 0.00 N ATOM 897 CA ASP B 44 3.246 -13.589 -7.270 1.00 0.00 C ATOM 898 C ASP B 44 3.383 -14.558 -6.105 1.00 0.00 C ATOM 899 O ASP B 44 4.125 -15.537 -6.184 1.00 0.00 O ATOM 900 CB ASP B 44 4.097 -12.346 -7.006 1.00 0.00 C ATOM 901 CG ASP B 44 4.249 -11.528 -8.285 1.00 0.00 C ATOM 902 OD1 ASP B 44 3.992 -12.071 -9.346 1.00 0.00 O ATOM 903 OD2 ASP B 44 4.623 -10.372 -8.184 1.00 0.00 O ATOM 0 H ASP B 44 1.670 -12.205 -7.371 1.00 0.00 H new ATOM 0 HA ASP B 44 3.593 -14.080 -8.179 1.00 0.00 H new ATOM 0 HB2 ASP B 44 3.633 -11.737 -6.230 1.00 0.00 H new ATOM 0 HB3 ASP B 44 5.079 -12.641 -6.636 1.00 0.00 H new ATOM 908 N ARG B 45 2.661 -14.288 -5.026 1.00 0.00 N ATOM 909 CA ARG B 45 2.713 -15.151 -3.855 1.00 0.00 C ATOM 910 C ARG B 45 2.144 -16.527 -4.187 1.00 0.00 C ATOM 911 O ARG B 45 2.429 -17.511 -3.507 1.00 0.00 O ATOM 912 CB ARG B 45 1.910 -14.526 -2.710 1.00 0.00 C ATOM 913 CG ARG B 45 2.043 -15.385 -1.448 1.00 0.00 C ATOM 914 CD ARG B 45 1.260 -14.743 -0.303 1.00 0.00 C ATOM 915 NE ARG B 45 1.503 -15.468 0.937 1.00 0.00 N ATOM 916 CZ ARG B 45 0.692 -15.335 1.981 1.00 0.00 C ATOM 917 NH1 ARG B 45 -0.343 -14.545 1.904 1.00 0.00 N ATOM 918 NH2 ARG B 45 0.927 -15.996 3.081 1.00 0.00 N ATOM 0 H ARG B 45 2.038 -13.485 -4.937 1.00 0.00 H new ATOM 0 HA ARG B 45 3.753 -15.261 -3.549 1.00 0.00 H new ATOM 0 HB2 ARG B 45 2.269 -13.516 -2.512 1.00 0.00 H new ATOM 0 HB3 ARG B 45 0.861 -14.442 -2.994 1.00 0.00 H new ATOM 0 HG2 ARG B 45 1.668 -16.390 -1.639 1.00 0.00 H new ATOM 0 HG3 ARG B 45 3.093 -15.484 -1.173 1.00 0.00 H new ATOM 0 HD2 ARG B 45 1.557 -13.701 -0.188 1.00 0.00 H new ATOM 0 HD3 ARG B 45 0.195 -14.747 -0.533 1.00 0.00 H new ATOM 0 HE ARG B 45 2.310 -16.088 1.005 1.00 0.00 H new ATOM 0 HH11 ARG B 45 -0.529 -14.030 1.043 1.00 0.00 H new ATOM 0 HH12 ARG B 45 -0.967 -14.442 2.705 1.00 0.00 H new ATOM 0 HH21 ARG B 45 1.735 -16.616 3.141 1.00 0.00 H new ATOM 0 HH22 ARG B 45 0.303 -15.892 3.881 1.00 0.00 H new ATOM 932 N LEU B 46 1.328 -16.591 -5.230 1.00 0.00 N ATOM 933 CA LEU B 46 0.719 -17.856 -5.618 1.00 0.00 C ATOM 934 C LEU B 46 1.799 -18.871 -6.001 1.00 0.00 C ATOM 935 O LEU B 46 1.769 -20.025 -5.575 1.00 0.00 O ATOM 936 CB LEU B 46 -0.233 -17.624 -6.806 1.00 0.00 C ATOM 937 CG LEU B 46 -1.344 -18.686 -6.815 1.00 0.00 C ATOM 938 CD1 LEU B 46 -2.327 -18.385 -7.950 1.00 0.00 C ATOM 939 CD2 LEU B 46 -0.743 -20.090 -6.996 1.00 0.00 C ATOM 0 H LEU B 46 1.075 -15.795 -5.815 1.00 0.00 H new ATOM 0 HA LEU B 46 0.155 -18.254 -4.775 1.00 0.00 H new ATOM 0 HB2 LEU B 46 -0.673 -16.629 -6.740 1.00 0.00 H new ATOM 0 HB3 LEU B 46 0.325 -17.664 -7.741 1.00 0.00 H new ATOM 0 HG LEU B 46 -1.871 -18.658 -5.861 1.00 0.00 H new ATOM 0 HD11 LEU B 46 -3.116 -19.138 -7.958 1.00 0.00 H new ATOM 0 HD12 LEU B 46 -2.767 -17.400 -7.798 1.00 0.00 H new ATOM 0 HD13 LEU B 46 -1.799 -18.403 -8.903 1.00 0.00 H new ATOM 0 HD21 LEU B 46 -1.543 -20.830 -7.000 1.00 0.00 H new ATOM 0 HD22 LEU B 46 -0.202 -20.135 -7.941 1.00 0.00 H new ATOM 0 HD23 LEU B 46 -0.058 -20.301 -6.175 1.00 0.00 H new ATOM 951 N PHE B 47 2.760 -18.429 -6.801 1.00 0.00 N ATOM 952 CA PHE B 47 3.838 -19.311 -7.230 1.00 0.00 C ATOM 953 C PHE B 47 4.634 -19.812 -6.036 1.00 0.00 C ATOM 954 O PHE B 47 4.928 -21.002 -5.933 1.00 0.00 O ATOM 955 CB PHE B 47 4.766 -18.573 -8.194 1.00 0.00 C ATOM 956 CG PHE B 47 4.067 -18.376 -9.521 1.00 0.00 C ATOM 957 CD1 PHE B 47 3.906 -19.462 -10.391 1.00 0.00 C ATOM 958 CD2 PHE B 47 3.579 -17.114 -9.880 1.00 0.00 C ATOM 959 CE1 PHE B 47 3.260 -19.285 -11.620 1.00 0.00 C ATOM 960 CE2 PHE B 47 2.934 -16.939 -11.111 1.00 0.00 C ATOM 961 CZ PHE B 47 2.773 -18.024 -11.979 1.00 0.00 C ATOM 0 H PHE B 47 2.816 -17.477 -7.163 1.00 0.00 H new ATOM 0 HA PHE B 47 3.396 -20.168 -7.738 1.00 0.00 H new ATOM 0 HB2 PHE B 47 5.050 -17.608 -7.774 1.00 0.00 H new ATOM 0 HB3 PHE B 47 5.685 -19.141 -8.337 1.00 0.00 H new ATOM 0 HD1 PHE B 47 4.280 -20.436 -10.113 1.00 0.00 H new ATOM 0 HD2 PHE B 47 3.700 -16.277 -9.209 1.00 0.00 H new ATOM 0 HE1 PHE B 47 3.138 -20.122 -12.291 1.00 0.00 H new ATOM 0 HE2 PHE B 47 2.560 -15.965 -11.390 1.00 0.00 H new ATOM 0 HZ PHE B 47 2.273 -17.888 -12.926 1.00 0.00 H new ATOM 971 N PHE B 48 4.986 -18.897 -5.135 1.00 0.00 N ATOM 972 CA PHE B 48 5.759 -19.259 -3.945 1.00 0.00 C ATOM 973 C PHE B 48 4.896 -19.144 -2.696 1.00 0.00 C ATOM 974 O PHE B 48 4.410 -18.064 -2.361 1.00 0.00 O ATOM 975 CB PHE B 48 6.966 -18.327 -3.815 1.00 0.00 C ATOM 976 CG PHE B 48 7.591 -18.111 -5.179 1.00 0.00 C ATOM 977 CD1 PHE B 48 7.876 -19.203 -6.014 1.00 0.00 C ATOM 978 CD2 PHE B 48 7.875 -16.809 -5.617 1.00 0.00 C ATOM 979 CE1 PHE B 48 8.450 -18.990 -7.273 1.00 0.00 C ATOM 980 CE2 PHE B 48 8.447 -16.601 -6.877 1.00 0.00 C ATOM 981 CZ PHE B 48 8.732 -17.691 -7.705 1.00 0.00 C ATOM 0 H PHE B 48 4.751 -17.907 -5.203 1.00 0.00 H new ATOM 0 HA PHE B 48 6.098 -20.290 -4.048 1.00 0.00 H new ATOM 0 HB2 PHE B 48 6.657 -17.372 -3.390 1.00 0.00 H new ATOM 0 HB3 PHE B 48 7.699 -18.757 -3.132 1.00 0.00 H new ATOM 0 HD1 PHE B 48 7.652 -20.207 -5.685 1.00 0.00 H new ATOM 0 HD2 PHE B 48 7.652 -15.966 -4.981 1.00 0.00 H new ATOM 0 HE1 PHE B 48 8.675 -19.831 -7.912 1.00 0.00 H new ATOM 0 HE2 PHE B 48 8.668 -15.598 -7.210 1.00 0.00 H new ATOM 0 HZ PHE B 48 9.170 -17.529 -8.679 1.00 0.00 H new ATOM 991 N LYS B 49 4.714 -20.267 -2.008 1.00 0.00 N ATOM 992 CA LYS B 49 3.907 -20.287 -0.793 1.00 0.00 C ATOM 993 C LYS B 49 4.420 -21.356 0.165 1.00 0.00 C ATOM 994 O LYS B 49 4.356 -21.129 1.361 1.00 0.00 O ATOM 995 CB LYS B 49 2.450 -20.572 -1.145 1.00 0.00 C ATOM 996 CG LYS B 49 1.585 -20.443 0.113 1.00 0.00 C ATOM 997 CD LYS B 49 0.121 -20.756 -0.223 1.00 0.00 C ATOM 998 CE LYS B 49 -0.521 -19.581 -0.973 1.00 0.00 C ATOM 999 NZ LYS B 49 -1.995 -19.770 -1.012 1.00 0.00 N ATOM 1000 OXT LYS B 49 4.865 -22.387 -0.312 1.00 0.00 O ATOM 0 H LYS B 49 5.112 -21.169 -2.269 1.00 0.00 H new ATOM 0 HA LYS B 49 3.980 -19.313 -0.308 1.00 0.00 H new ATOM 0 HB2 LYS B 49 2.106 -19.874 -1.909 1.00 0.00 H new ATOM 0 HB3 LYS B 49 2.355 -21.574 -1.563 1.00 0.00 H new ATOM 0 HG2 LYS B 49 1.944 -21.126 0.883 1.00 0.00 H new ATOM 0 HG3 LYS B 49 1.666 -19.434 0.518 1.00 0.00 H new ATOM 0 HD2 LYS B 49 0.066 -21.658 -0.833 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -0.434 -20.957 0.694 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -0.276 -18.641 -0.478 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -0.124 -19.521 -1.986 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -2.434 -18.975 -1.520 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -2.218 -20.660 -1.502 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -2.366 -19.808 -0.041 1.00 0.00 H new TER 1014 LYS B 49 ATOM 1015 N SER C 19 -8.875 25.809 5.244 1.00 0.00 N ATOM 1016 CA SER C 19 -8.550 26.259 3.863 1.00 0.00 C ATOM 1017 C SER C 19 -7.836 25.135 3.120 1.00 0.00 C ATOM 1018 O SER C 19 -6.652 24.884 3.348 1.00 0.00 O ATOM 1019 CB SER C 19 -7.650 27.494 3.930 1.00 0.00 C ATOM 1020 OG SER C 19 -8.290 28.500 4.705 1.00 0.00 O ATOM 0 HA SER C 19 -9.468 26.513 3.333 1.00 0.00 H new ATOM 0 HB2 SER C 19 -6.689 27.234 4.373 1.00 0.00 H new ATOM 0 HB3 SER C 19 -7.448 27.866 2.926 1.00 0.00 H new ATOM 0 HG SER C 19 -8.811 28.080 5.421 1.00 0.00 H new ATOM 1028 N ASN C 20 -8.562 24.463 2.232 1.00 0.00 N ATOM 1029 CA ASN C 20 -7.987 23.367 1.457 1.00 0.00 C ATOM 1030 C ASN C 20 -7.374 22.318 2.380 1.00 0.00 C ATOM 1031 O ASN C 20 -6.223 21.919 2.202 1.00 0.00 O ATOM 1032 CB ASN C 20 -6.914 23.907 0.510 1.00 0.00 C ATOM 1033 CG ASN C 20 -7.564 24.724 -0.600 1.00 0.00 C ATOM 1034 OD1 ASN C 20 -8.761 24.590 -0.853 1.00 0.00 O ATOM 1035 ND2 ASN C 20 -6.840 25.568 -1.284 1.00 0.00 N ATOM 0 H ASN C 20 -9.543 24.656 2.031 1.00 0.00 H new ATOM 0 HA ASN C 20 -8.783 22.900 0.877 1.00 0.00 H new ATOM 0 HB2 ASN C 20 -6.207 24.526 1.063 1.00 0.00 H new ATOM 0 HB3 ASN C 20 -6.347 23.081 0.081 1.00 0.00 H new ATOM 0 HD21 ASN C 20 -7.266 26.118 -2.030 1.00 0.00 H new ATOM 0 HD22 ASN C 20 -5.848 25.677 -1.073 1.00 0.00 H new ATOM 1042 N ASP C 21 -8.144 21.883 3.369 1.00 0.00 N ATOM 1043 CA ASP C 21 -7.663 20.886 4.321 1.00 0.00 C ATOM 1044 C ASP C 21 -7.404 19.560 3.606 1.00 0.00 C ATOM 1045 O ASP C 21 -6.454 18.846 3.926 1.00 0.00 O ATOM 1046 CB ASP C 21 -8.709 20.693 5.435 1.00 0.00 C ATOM 1047 CG ASP C 21 -8.542 21.746 6.534 1.00 0.00 C ATOM 1048 OD1 ASP C 21 -7.582 22.498 6.478 1.00 0.00 O ATOM 1049 OD2 ASP C 21 -9.385 21.786 7.416 1.00 0.00 O ATOM 0 H ASP C 21 -9.099 22.202 3.534 1.00 0.00 H new ATOM 0 HA ASP C 21 -6.728 21.231 4.763 1.00 0.00 H new ATOM 0 HB2 ASP C 21 -9.712 20.759 5.013 1.00 0.00 H new ATOM 0 HB3 ASP C 21 -8.609 19.696 5.864 1.00 0.00 H new ATOM 1054 N SER C 22 -8.254 19.239 2.638 1.00 0.00 N ATOM 1055 CA SER C 22 -8.105 17.996 1.892 1.00 0.00 C ATOM 1056 C SER C 22 -6.776 17.976 1.146 1.00 0.00 C ATOM 1057 O SER C 22 -6.258 16.914 0.804 1.00 0.00 O ATOM 1058 CB SER C 22 -9.252 17.848 0.893 1.00 0.00 C ATOM 1059 OG SER C 22 -9.217 18.934 -0.023 1.00 0.00 O ATOM 0 H SER C 22 -9.046 19.816 2.353 1.00 0.00 H new ATOM 0 HA SER C 22 -8.126 17.165 2.598 1.00 0.00 H new ATOM 0 HB2 SER C 22 -9.164 16.902 0.358 1.00 0.00 H new ATOM 0 HB3 SER C 22 -10.207 17.830 1.418 1.00 0.00 H new ATOM 0 HG SER C 22 -9.950 18.843 -0.667 1.00 0.00 H new ATOM 1065 N SER C 23 -6.228 19.161 0.899 1.00 0.00 N ATOM 1066 CA SER C 23 -4.957 19.277 0.195 1.00 0.00 C ATOM 1067 C SER C 23 -3.798 18.984 1.136 1.00 0.00 C ATOM 1068 O SER C 23 -2.634 19.057 0.743 1.00 0.00 O ATOM 1069 CB SER C 23 -4.804 20.681 -0.389 1.00 0.00 C ATOM 1070 OG SER C 23 -6.013 21.050 -1.037 1.00 0.00 O ATOM 0 H SER C 23 -6.642 20.051 1.175 1.00 0.00 H new ATOM 0 HA SER C 23 -4.946 18.548 -0.616 1.00 0.00 H new ATOM 0 HB2 SER C 23 -4.569 21.393 0.402 1.00 0.00 H new ATOM 0 HB3 SER C 23 -3.976 20.705 -1.097 1.00 0.00 H new ATOM 0 HG SER C 23 -5.857 21.839 -1.597 1.00 0.00 H new ATOM 1076 N ASP C 24 -4.124 18.668 2.384 1.00 0.00 N ATOM 1077 CA ASP C 24 -3.097 18.384 3.379 1.00 0.00 C ATOM 1078 C ASP C 24 -2.005 17.486 2.787 1.00 0.00 C ATOM 1079 O ASP C 24 -2.261 16.715 1.860 1.00 0.00 O ATOM 1080 CB ASP C 24 -3.733 17.696 4.602 1.00 0.00 C ATOM 1081 CG ASP C 24 -4.285 18.736 5.571 1.00 0.00 C ATOM 1082 OD1 ASP C 24 -4.423 19.877 5.163 1.00 0.00 O ATOM 1083 OD2 ASP C 24 -4.561 18.377 6.704 1.00 0.00 O ATOM 0 H ASP C 24 -5.082 18.602 2.729 1.00 0.00 H new ATOM 0 HA ASP C 24 -2.642 19.325 3.688 1.00 0.00 H new ATOM 0 HB2 ASP C 24 -4.534 17.031 4.278 1.00 0.00 H new ATOM 0 HB3 ASP C 24 -2.990 17.078 5.106 1.00 0.00 H new ATOM 1088 N PRO C 25 -0.803 17.578 3.301 1.00 0.00 N ATOM 1089 CA PRO C 25 0.346 16.758 2.812 1.00 0.00 C ATOM 1090 C PRO C 25 0.126 15.265 3.052 1.00 0.00 C ATOM 1091 O PRO C 25 0.694 14.426 2.354 1.00 0.00 O ATOM 1092 CB PRO C 25 1.546 17.291 3.625 1.00 0.00 C ATOM 1093 CG PRO C 25 0.944 17.913 4.846 1.00 0.00 C ATOM 1094 CD PRO C 25 -0.404 18.471 4.404 1.00 0.00 C ATOM 0 HA PRO C 25 0.491 16.846 1.735 1.00 0.00 H new ATOM 0 HB2 PRO C 25 2.232 16.486 3.890 1.00 0.00 H new ATOM 0 HB3 PRO C 25 2.118 18.021 3.052 1.00 0.00 H new ATOM 0 HG2 PRO C 25 0.821 17.177 5.640 1.00 0.00 H new ATOM 0 HG3 PRO C 25 1.584 18.702 5.239 1.00 0.00 H new ATOM 0 HD2 PRO C 25 -1.131 18.455 5.216 1.00 0.00 H new ATOM 0 HD3 PRO C 25 -0.320 19.506 4.072 1.00 0.00 H new ATOM 1102 N LEU C 26 -0.695 14.940 4.045 1.00 0.00 N ATOM 1103 CA LEU C 26 -0.964 13.543 4.360 1.00 0.00 C ATOM 1104 C LEU C 26 -1.650 12.851 3.186 1.00 0.00 C ATOM 1105 O LEU C 26 -1.285 11.737 2.812 1.00 0.00 O ATOM 1106 CB LEU C 26 -1.857 13.463 5.609 1.00 0.00 C ATOM 1107 CG LEU C 26 -1.005 13.641 6.868 1.00 0.00 C ATOM 1108 CD1 LEU C 26 -0.259 14.976 6.796 1.00 0.00 C ATOM 1109 CD2 LEU C 26 -1.911 13.626 8.100 1.00 0.00 C ATOM 0 H LEU C 26 -1.179 15.614 4.638 1.00 0.00 H new ATOM 0 HA LEU C 26 -0.018 13.036 4.554 1.00 0.00 H new ATOM 0 HB2 LEU C 26 -2.626 14.234 5.567 1.00 0.00 H new ATOM 0 HB3 LEU C 26 -2.370 12.502 5.639 1.00 0.00 H new ATOM 0 HG LEU C 26 -0.283 12.827 6.938 1.00 0.00 H new ATOM 0 HD11 LEU C 26 0.348 15.103 7.693 1.00 0.00 H new ATOM 0 HD12 LEU C 26 0.386 14.986 5.917 1.00 0.00 H new ATOM 0 HD13 LEU C 26 -0.979 15.792 6.727 1.00 0.00 H new ATOM 0 HD21 LEU C 26 -1.306 13.753 8.998 1.00 0.00 H new ATOM 0 HD22 LEU C 26 -2.633 14.440 8.031 1.00 0.00 H new ATOM 0 HD23 LEU C 26 -2.441 12.675 8.151 1.00 0.00 H new ATOM 1121 N VAL C 27 -2.640 13.520 2.608 1.00 0.00 N ATOM 1122 CA VAL C 27 -3.364 12.955 1.476 1.00 0.00 C ATOM 1123 C VAL C 27 -2.460 12.870 0.249 1.00 0.00 C ATOM 1124 O VAL C 27 -2.418 11.847 -0.440 1.00 0.00 O ATOM 1125 CB VAL C 27 -4.591 13.819 1.160 1.00 0.00 C ATOM 1126 CG1 VAL C 27 -5.260 13.316 -0.122 1.00 0.00 C ATOM 1127 CG2 VAL C 27 -5.587 13.737 2.322 1.00 0.00 C ATOM 0 H VAL C 27 -2.957 14.444 2.900 1.00 0.00 H new ATOM 0 HA VAL C 27 -3.689 11.948 1.738 1.00 0.00 H new ATOM 0 HB VAL C 27 -4.277 14.854 1.021 1.00 0.00 H new ATOM 0 HG11 VAL C 27 -6.131 13.932 -0.344 1.00 0.00 H new ATOM 0 HG12 VAL C 27 -4.553 13.377 -0.949 1.00 0.00 H new ATOM 0 HG13 VAL C 27 -5.573 12.281 0.013 1.00 0.00 H new ATOM 0 HG21 VAL C 27 -6.459 14.351 2.098 1.00 0.00 H new ATOM 0 HG22 VAL C 27 -5.898 12.702 2.462 1.00 0.00 H new ATOM 0 HG23 VAL C 27 -5.113 14.100 3.234 1.00 0.00 H new ATOM 1137 N VAL C 28 -1.740 13.954 -0.018 1.00 0.00 N ATOM 1138 CA VAL C 28 -0.844 13.999 -1.164 1.00 0.00 C ATOM 1139 C VAL C 28 0.271 12.970 -1.014 1.00 0.00 C ATOM 1140 O VAL C 28 0.603 12.257 -1.960 1.00 0.00 O ATOM 1141 CB VAL C 28 -0.238 15.400 -1.305 1.00 0.00 C ATOM 1142 CG1 VAL C 28 0.827 15.395 -2.407 1.00 0.00 C ATOM 1143 CG2 VAL C 28 -1.340 16.400 -1.667 1.00 0.00 C ATOM 0 H VAL C 28 -1.760 14.807 0.540 1.00 0.00 H new ATOM 0 HA VAL C 28 -1.420 13.764 -2.059 1.00 0.00 H new ATOM 0 HB VAL C 28 0.222 15.689 -0.360 1.00 0.00 H new ATOM 0 HG11 VAL C 28 1.255 16.393 -2.504 1.00 0.00 H new ATOM 0 HG12 VAL C 28 1.614 14.686 -2.149 1.00 0.00 H new ATOM 0 HG13 VAL C 28 0.371 15.103 -3.353 1.00 0.00 H new ATOM 0 HG21 VAL C 28 -0.909 17.396 -1.767 1.00 0.00 H new ATOM 0 HG22 VAL C 28 -1.801 16.108 -2.610 1.00 0.00 H new ATOM 0 HG23 VAL C 28 -2.096 16.409 -0.881 1.00 0.00 H new ATOM 1153 N ALA C 29 0.843 12.900 0.182 1.00 0.00 N ATOM 1154 CA ALA C 29 1.922 11.957 0.443 1.00 0.00 C ATOM 1155 C ALA C 29 1.446 10.525 0.229 1.00 0.00 C ATOM 1156 O ALA C 29 2.160 9.708 -0.343 1.00 0.00 O ATOM 1157 CB ALA C 29 2.418 12.117 1.883 1.00 0.00 C ATOM 0 H ALA C 29 0.580 13.479 0.979 1.00 0.00 H new ATOM 0 HA ALA C 29 2.737 12.167 -0.250 1.00 0.00 H new ATOM 0 HB1 ALA C 29 3.225 11.409 2.071 1.00 0.00 H new ATOM 0 HB2 ALA C 29 2.785 13.133 2.031 1.00 0.00 H new ATOM 0 HB3 ALA C 29 1.597 11.924 2.574 1.00 0.00 H new ATOM 1163 N ALA C 30 0.237 10.230 0.688 1.00 0.00 N ATOM 1164 CA ALA C 30 -0.312 8.886 0.539 1.00 0.00 C ATOM 1165 C ALA C 30 -0.267 8.446 -0.920 1.00 0.00 C ATOM 1166 O ALA C 30 0.214 7.357 -1.235 1.00 0.00 O ATOM 1167 CB ALA C 30 -1.756 8.862 1.036 1.00 0.00 C ATOM 0 H ALA C 30 -0.377 10.893 1.161 1.00 0.00 H new ATOM 0 HA ALA C 30 0.291 8.197 1.131 1.00 0.00 H new ATOM 0 HB1 ALA C 30 -2.163 7.857 0.923 1.00 0.00 H new ATOM 0 HB2 ALA C 30 -1.784 9.149 2.087 1.00 0.00 H new ATOM 0 HB3 ALA C 30 -2.353 9.563 0.453 1.00 0.00 H new ATOM 1173 N SER C 31 -0.766 9.299 -1.806 1.00 0.00 N ATOM 1174 CA SER C 31 -0.771 8.985 -3.231 1.00 0.00 C ATOM 1175 C SER C 31 0.653 8.838 -3.758 1.00 0.00 C ATOM 1176 O SER C 31 0.947 7.927 -4.526 1.00 0.00 O ATOM 1177 CB SER C 31 -1.492 10.082 -4.008 1.00 0.00 C ATOM 1178 OG SER C 31 -1.197 9.949 -5.391 1.00 0.00 O ATOM 0 H SER C 31 -1.169 10.205 -1.567 1.00 0.00 H new ATOM 0 HA SER C 31 -1.295 8.039 -3.368 1.00 0.00 H new ATOM 0 HB2 SER C 31 -2.568 10.012 -3.845 1.00 0.00 H new ATOM 0 HB3 SER C 31 -1.179 11.063 -3.650 1.00 0.00 H new ATOM 0 HG SER C 31 -1.660 10.652 -5.893 1.00 0.00 H new ATOM 1184 N ILE C 32 1.528 9.744 -3.336 1.00 0.00 N ATOM 1185 CA ILE C 32 2.923 9.715 -3.775 1.00 0.00 C ATOM 1186 C ILE C 32 3.604 8.425 -3.330 1.00 0.00 C ATOM 1187 O ILE C 32 4.365 7.823 -4.087 1.00 0.00 O ATOM 1188 CB ILE C 32 3.679 10.922 -3.209 1.00 0.00 C ATOM 1189 CG1 ILE C 32 3.157 12.202 -3.864 1.00 0.00 C ATOM 1190 CG2 ILE C 32 5.174 10.773 -3.495 1.00 0.00 C ATOM 1191 CD1 ILE C 32 3.739 13.417 -3.139 1.00 0.00 C ATOM 0 H ILE C 32 1.301 10.504 -2.695 1.00 0.00 H new ATOM 0 HA ILE C 32 2.939 9.759 -4.864 1.00 0.00 H new ATOM 0 HB ILE C 32 3.523 10.975 -2.132 1.00 0.00 H new ATOM 0 HG12 ILE C 32 3.436 12.225 -4.917 1.00 0.00 H new ATOM 0 HG13 ILE C 32 2.068 12.227 -3.823 1.00 0.00 H new ATOM 0 HG21 ILE C 32 5.709 11.633 -3.091 1.00 0.00 H new ATOM 0 HG22 ILE C 32 5.545 9.862 -3.026 1.00 0.00 H new ATOM 0 HG23 ILE C 32 5.335 10.718 -4.572 1.00 0.00 H new ATOM 0 HD11 ILE C 32 3.368 14.330 -3.604 1.00 0.00 H new ATOM 0 HD12 ILE C 32 3.437 13.395 -2.092 1.00 0.00 H new ATOM 0 HD13 ILE C 32 4.827 13.393 -3.204 1.00 0.00 H new ATOM 1203 N ILE C 33 3.336 8.009 -2.102 1.00 0.00 N ATOM 1204 CA ILE C 33 3.940 6.794 -1.574 1.00 0.00 C ATOM 1205 C ILE C 33 3.589 5.594 -2.449 1.00 0.00 C ATOM 1206 O ILE C 33 4.445 4.756 -2.734 1.00 0.00 O ATOM 1207 CB ILE C 33 3.442 6.547 -0.146 1.00 0.00 C ATOM 1208 CG1 ILE C 33 4.059 7.577 0.807 1.00 0.00 C ATOM 1209 CG2 ILE C 33 3.821 5.134 0.314 1.00 0.00 C ATOM 1210 CD1 ILE C 33 3.292 7.578 2.134 1.00 0.00 C ATOM 0 H ILE C 33 2.710 8.490 -1.456 1.00 0.00 H new ATOM 0 HA ILE C 33 5.023 6.920 -1.569 1.00 0.00 H new ATOM 0 HB ILE C 33 2.357 6.645 -0.135 1.00 0.00 H new ATOM 0 HG12 ILE C 33 5.109 7.341 0.983 1.00 0.00 H new ATOM 0 HG13 ILE C 33 4.026 8.569 0.356 1.00 0.00 H new ATOM 0 HG21 ILE C 33 3.461 4.973 1.330 1.00 0.00 H new ATOM 0 HG22 ILE C 33 3.367 4.400 -0.352 1.00 0.00 H new ATOM 0 HG23 ILE C 33 4.905 5.023 0.292 1.00 0.00 H new ATOM 0 HD11 ILE C 33 3.733 8.311 2.809 1.00 0.00 H new ATOM 0 HD12 ILE C 33 2.249 7.835 1.951 1.00 0.00 H new ATOM 0 HD13 ILE C 33 3.348 6.588 2.587 1.00 0.00 H new ATOM 1222 N GLY C 34 2.335 5.509 -2.859 1.00 0.00 N ATOM 1223 CA GLY C 34 1.900 4.392 -3.687 1.00 0.00 C ATOM 1224 C GLY C 34 2.680 4.338 -4.996 1.00 0.00 C ATOM 1225 O GLY C 34 3.195 3.288 -5.372 1.00 0.00 O ATOM 0 H GLY C 34 1.607 6.189 -2.637 1.00 0.00 H new ATOM 0 HA2 GLY C 34 2.035 3.458 -3.142 1.00 0.00 H new ATOM 0 HA3 GLY C 34 0.835 4.486 -3.899 1.00 0.00 H new ATOM 1229 N ILE C 35 2.760 5.471 -5.686 1.00 0.00 N ATOM 1230 CA ILE C 35 3.475 5.527 -6.958 1.00 0.00 C ATOM 1231 C ILE C 35 4.957 5.237 -6.770 1.00 0.00 C ATOM 1232 O ILE C 35 5.538 4.448 -7.505 1.00 0.00 O ATOM 1233 CB ILE C 35 3.308 6.911 -7.588 1.00 0.00 C ATOM 1234 CG1 ILE C 35 1.815 7.247 -7.696 1.00 0.00 C ATOM 1235 CG2 ILE C 35 3.941 6.933 -8.980 1.00 0.00 C ATOM 1236 CD1 ILE C 35 1.063 6.171 -8.494 1.00 0.00 C ATOM 0 H ILE C 35 2.344 6.354 -5.391 1.00 0.00 H new ATOM 0 HA ILE C 35 3.053 4.766 -7.614 1.00 0.00 H new ATOM 0 HB ILE C 35 3.804 7.651 -6.961 1.00 0.00 H new ATOM 0 HG12 ILE C 35 1.385 7.331 -6.698 1.00 0.00 H new ATOM 0 HG13 ILE C 35 1.691 8.216 -8.179 1.00 0.00 H new ATOM 0 HG21 ILE C 35 3.817 7.922 -9.420 1.00 0.00 H new ATOM 0 HG22 ILE C 35 5.003 6.702 -8.900 1.00 0.00 H new ATOM 0 HG23 ILE C 35 3.455 6.191 -9.613 1.00 0.00 H new ATOM 0 HD11 ILE C 35 0.007 6.435 -8.555 1.00 0.00 H new ATOM 0 HD12 ILE C 35 1.479 6.106 -9.499 1.00 0.00 H new ATOM 0 HD13 ILE C 35 1.168 5.208 -7.995 1.00 0.00 H new ATOM 1248 N LEU C 36 5.566 5.884 -5.791 1.00 0.00 N ATOM 1249 CA LEU C 36 6.988 5.690 -5.544 1.00 0.00 C ATOM 1250 C LEU C 36 7.288 4.244 -5.171 1.00 0.00 C ATOM 1251 O LEU C 36 8.254 3.657 -5.654 1.00 0.00 O ATOM 1252 CB LEU C 36 7.444 6.612 -4.410 1.00 0.00 C ATOM 1253 CG LEU C 36 7.593 8.058 -4.923 1.00 0.00 C ATOM 1254 CD1 LEU C 36 7.927 8.991 -3.742 1.00 0.00 C ATOM 1255 CD2 LEU C 36 8.704 8.145 -6.002 1.00 0.00 C ATOM 0 H LEU C 36 5.107 6.541 -5.160 1.00 0.00 H new ATOM 0 HA LEU C 36 7.528 5.930 -6.460 1.00 0.00 H new ATOM 0 HB2 LEU C 36 6.722 6.581 -3.594 1.00 0.00 H new ATOM 0 HB3 LEU C 36 8.395 6.262 -4.008 1.00 0.00 H new ATOM 0 HG LEU C 36 6.652 8.369 -5.377 1.00 0.00 H new ATOM 0 HD11 LEU C 36 8.032 10.013 -4.105 1.00 0.00 H new ATOM 0 HD12 LEU C 36 7.124 8.948 -3.006 1.00 0.00 H new ATOM 0 HD13 LEU C 36 8.861 8.672 -3.279 1.00 0.00 H new ATOM 0 HD21 LEU C 36 8.793 9.174 -6.351 1.00 0.00 H new ATOM 0 HD22 LEU C 36 9.653 7.824 -5.573 1.00 0.00 H new ATOM 0 HD23 LEU C 36 8.448 7.498 -6.841 1.00 0.00 H new ATOM 1267 N HIS C 37 6.459 3.675 -4.315 1.00 0.00 N ATOM 1268 CA HIS C 37 6.655 2.299 -3.886 1.00 0.00 C ATOM 1269 C HIS C 37 6.474 1.339 -5.053 1.00 0.00 C ATOM 1270 O HIS C 37 7.228 0.378 -5.201 1.00 0.00 O ATOM 1271 CB HIS C 37 5.664 1.957 -2.781 1.00 0.00 C ATOM 1272 CG HIS C 37 5.916 0.557 -2.305 1.00 0.00 C ATOM 1273 ND1 HIS C 37 5.844 -0.655 -2.944 1.00 0.00 N flip ATOM 1274 CD2 HIS C 37 6.305 0.277 -1.005 1.00 0.00 C flip ATOM 1275 CE1 HIS C 37 6.181 -1.673 -2.058 1.00 0.00 C flip ATOM 1276 NE2 HIS C 37 6.452 -1.056 -0.905 1.00 0.00 N flip ATOM 0 H HIS C 37 5.649 4.139 -3.905 1.00 0.00 H new ATOM 0 HA HIS C 37 7.672 2.197 -3.508 1.00 0.00 H new ATOM 0 HB2 HIS C 37 5.768 2.659 -1.954 1.00 0.00 H new ATOM 0 HB3 HIS C 37 4.643 2.049 -3.151 1.00 0.00 H new ATOM 0 HD2 HIS C 37 6.462 0.998 -0.216 1.00 0.00 H new ATOM 0 HE1 HIS C 37 6.216 -2.734 -2.259 1.00 0.00 H new ATOM 0 HE2 HIS C 37 6.736 -1.537 -0.052 1.00 0.00 H new ATOM 1284 N LEU C 38 5.462 1.597 -5.871 1.00 0.00 N ATOM 1285 CA LEU C 38 5.182 0.738 -7.015 1.00 0.00 C ATOM 1286 C LEU C 38 6.351 0.741 -7.995 1.00 0.00 C ATOM 1287 O LEU C 38 6.698 -0.295 -8.548 1.00 0.00 O ATOM 1288 CB LEU C 38 3.890 1.211 -7.726 1.00 0.00 C ATOM 1289 CG LEU C 38 2.738 0.247 -7.412 1.00 0.00 C ATOM 1290 CD1 LEU C 38 1.412 0.900 -7.797 1.00 0.00 C ATOM 1291 CD2 LEU C 38 2.935 -1.079 -8.188 1.00 0.00 C ATOM 0 H LEU C 38 4.826 2.387 -5.766 1.00 0.00 H new ATOM 0 HA LEU C 38 5.041 -0.281 -6.655 1.00 0.00 H new ATOM 0 HB2 LEU C 38 3.632 2.218 -7.399 1.00 0.00 H new ATOM 0 HB3 LEU C 38 4.053 1.258 -8.803 1.00 0.00 H new ATOM 0 HG LEU C 38 2.727 0.025 -6.345 1.00 0.00 H new ATOM 0 HD11 LEU C 38 0.592 0.217 -7.575 1.00 0.00 H new ATOM 0 HD12 LEU C 38 1.281 1.821 -7.229 1.00 0.00 H new ATOM 0 HD13 LEU C 38 1.415 1.129 -8.863 1.00 0.00 H new ATOM 0 HD21 LEU C 38 2.114 -1.759 -7.961 1.00 0.00 H new ATOM 0 HD22 LEU C 38 2.952 -0.875 -9.259 1.00 0.00 H new ATOM 0 HD23 LEU C 38 3.878 -1.537 -7.891 1.00 0.00 H new ATOM 1303 N ILE C 39 6.943 1.902 -8.209 1.00 0.00 N ATOM 1304 CA ILE C 39 8.057 2.003 -9.137 1.00 0.00 C ATOM 1305 C ILE C 39 9.225 1.137 -8.668 1.00 0.00 C ATOM 1306 O ILE C 39 9.837 0.427 -9.458 1.00 0.00 O ATOM 1307 CB ILE C 39 8.503 3.463 -9.240 1.00 0.00 C ATOM 1308 CG1 ILE C 39 7.431 4.277 -9.970 1.00 0.00 C ATOM 1309 CG2 ILE C 39 9.824 3.556 -10.009 1.00 0.00 C ATOM 1310 CD1 ILE C 39 7.699 5.772 -9.768 1.00 0.00 C ATOM 0 H ILE C 39 6.676 2.778 -7.760 1.00 0.00 H new ATOM 0 HA ILE C 39 7.734 1.649 -10.116 1.00 0.00 H new ATOM 0 HB ILE C 39 8.645 3.862 -8.236 1.00 0.00 H new ATOM 0 HG12 ILE C 39 7.437 4.036 -11.033 1.00 0.00 H new ATOM 0 HG13 ILE C 39 6.442 4.019 -9.590 1.00 0.00 H new ATOM 0 HG21 ILE C 39 10.133 4.599 -10.077 1.00 0.00 H new ATOM 0 HG22 ILE C 39 10.590 2.984 -9.486 1.00 0.00 H new ATOM 0 HG23 ILE C 39 9.690 3.151 -11.012 1.00 0.00 H new ATOM 0 HD11 ILE C 39 6.936 6.352 -10.288 1.00 0.00 H new ATOM 0 HD12 ILE C 39 7.671 6.006 -8.704 1.00 0.00 H new ATOM 0 HD13 ILE C 39 8.681 6.023 -10.169 1.00 0.00 H new ATOM 1322 N LEU C 40 9.530 1.201 -7.388 1.00 0.00 N ATOM 1323 CA LEU C 40 10.622 0.406 -6.839 1.00 0.00 C ATOM 1324 C LEU C 40 10.227 -1.066 -6.724 1.00 0.00 C ATOM 1325 O LEU C 40 11.023 -1.961 -7.017 1.00 0.00 O ATOM 1326 CB LEU C 40 11.015 0.944 -5.473 1.00 0.00 C ATOM 1327 CG LEU C 40 11.312 2.444 -5.583 1.00 0.00 C ATOM 1328 CD1 LEU C 40 11.612 3.004 -4.191 1.00 0.00 C ATOM 1329 CD2 LEU C 40 12.522 2.677 -6.507 1.00 0.00 C ATOM 0 H LEU C 40 9.045 1.788 -6.709 1.00 0.00 H new ATOM 0 HA LEU C 40 11.472 0.478 -7.517 1.00 0.00 H new ATOM 0 HB2 LEU C 40 10.211 0.773 -4.757 1.00 0.00 H new ATOM 0 HB3 LEU C 40 11.892 0.415 -5.100 1.00 0.00 H new ATOM 0 HG LEU C 40 10.444 2.952 -6.003 1.00 0.00 H new ATOM 0 HD11 LEU C 40 11.824 4.071 -4.266 1.00 0.00 H new ATOM 0 HD12 LEU C 40 10.749 2.850 -3.543 1.00 0.00 H new ATOM 0 HD13 LEU C 40 12.477 2.491 -3.771 1.00 0.00 H new ATOM 0 HD21 LEU C 40 12.725 3.746 -6.579 1.00 0.00 H new ATOM 0 HD22 LEU C 40 13.395 2.169 -6.098 1.00 0.00 H new ATOM 0 HD23 LEU C 40 12.304 2.282 -7.499 1.00 0.00 H new ATOM 1341 N TRP C 41 9.003 -1.304 -6.275 1.00 0.00 N ATOM 1342 CA TRP C 41 8.514 -2.665 -6.097 1.00 0.00 C ATOM 1343 C TRP C 41 8.330 -3.381 -7.431 1.00 0.00 C ATOM 1344 O TRP C 41 8.742 -4.531 -7.589 1.00 0.00 O ATOM 1345 CB TRP C 41 7.191 -2.650 -5.320 1.00 0.00 C ATOM 1346 CG TRP C 41 6.597 -4.024 -5.316 1.00 0.00 C ATOM 1347 CD1 TRP C 41 6.938 -5.020 -4.469 1.00 0.00 C ATOM 1348 CD2 TRP C 41 5.522 -4.547 -6.151 1.00 0.00 C ATOM 1349 NE1 TRP C 41 6.186 -6.139 -4.771 1.00 0.00 N ATOM 1350 CE2 TRP C 41 5.290 -5.892 -5.788 1.00 0.00 C ATOM 1351 CE3 TRP C 41 4.744 -3.997 -7.184 1.00 0.00 C ATOM 1352 CZ2 TRP C 41 4.323 -6.661 -6.426 1.00 0.00 C ATOM 1353 CZ3 TRP C 41 3.759 -4.771 -7.820 1.00 0.00 C ATOM 1354 CH2 TRP C 41 3.554 -6.098 -7.442 1.00 0.00 C ATOM 0 H TRP C 41 8.332 -0.576 -6.028 1.00 0.00 H new ATOM 0 HA TRP C 41 9.264 -3.215 -5.529 1.00 0.00 H new ATOM 0 HB2 TRP C 41 7.362 -2.313 -4.297 1.00 0.00 H new ATOM 0 HB3 TRP C 41 6.497 -1.944 -5.776 1.00 0.00 H new ATOM 0 HD1 TRP C 41 7.677 -4.952 -3.685 1.00 0.00 H new ATOM 0 HE1 TRP C 41 6.282 -7.038 -4.299 1.00 0.00 H new ATOM 0 HE3 TRP C 41 4.904 -2.974 -7.491 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 4.169 -7.690 -6.135 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 3.158 -4.337 -8.605 1.00 0.00 H new ATOM 0 HH2 TRP C 41 2.798 -6.690 -7.938 1.00 0.00 H new ATOM 1365 N ILE C 42 7.703 -2.708 -8.377 1.00 0.00 N ATOM 1366 CA ILE C 42 7.458 -3.304 -9.677 1.00 0.00 C ATOM 1367 C ILE C 42 8.779 -3.647 -10.356 1.00 0.00 C ATOM 1368 O ILE C 42 8.894 -4.672 -11.027 1.00 0.00 O ATOM 1369 CB ILE C 42 6.660 -2.328 -10.554 1.00 0.00 C ATOM 1370 CG1 ILE C 42 6.125 -3.059 -11.786 1.00 0.00 C ATOM 1371 CG2 ILE C 42 7.563 -1.168 -11.004 1.00 0.00 C ATOM 1372 CD1 ILE C 42 5.144 -2.148 -12.527 1.00 0.00 C ATOM 0 H ILE C 42 7.356 -1.755 -8.271 1.00 0.00 H new ATOM 0 HA ILE C 42 6.883 -4.220 -9.543 1.00 0.00 H new ATOM 0 HB ILE C 42 5.826 -1.933 -9.973 1.00 0.00 H new ATOM 0 HG12 ILE C 42 6.948 -3.338 -12.444 1.00 0.00 H new ATOM 0 HG13 ILE C 42 5.628 -3.982 -11.488 1.00 0.00 H new ATOM 0 HG21 ILE C 42 6.989 -0.480 -11.626 1.00 0.00 H new ATOM 0 HG22 ILE C 42 7.939 -0.638 -10.128 1.00 0.00 H new ATOM 0 HG23 ILE C 42 8.402 -1.562 -11.578 1.00 0.00 H new ATOM 0 HD11 ILE C 42 4.760 -2.665 -13.406 1.00 0.00 H new ATOM 0 HD12 ILE C 42 4.316 -1.891 -11.866 1.00 0.00 H new ATOM 0 HD13 ILE C 42 5.656 -1.237 -12.837 1.00 0.00 H new ATOM 1384 N LEU C 43 9.771 -2.779 -10.189 1.00 0.00 N ATOM 1385 CA LEU C 43 11.067 -3.002 -10.809 1.00 0.00 C ATOM 1386 C LEU C 43 11.687 -4.296 -10.270 1.00 0.00 C ATOM 1387 O LEU C 43 12.267 -5.084 -11.016 1.00 0.00 O ATOM 1388 CB LEU C 43 11.999 -1.808 -10.520 1.00 0.00 C ATOM 1389 CG LEU C 43 13.002 -1.625 -11.664 1.00 0.00 C ATOM 1390 CD1 LEU C 43 13.917 -0.439 -11.355 1.00 0.00 C ATOM 1391 CD2 LEU C 43 13.835 -2.900 -11.847 1.00 0.00 C ATOM 0 H LEU C 43 9.702 -1.925 -9.636 1.00 0.00 H new ATOM 0 HA LEU C 43 10.936 -3.095 -11.887 1.00 0.00 H new ATOM 0 HB2 LEU C 43 11.409 -0.900 -10.396 1.00 0.00 H new ATOM 0 HB3 LEU C 43 12.532 -1.973 -9.583 1.00 0.00 H new ATOM 0 HG LEU C 43 12.459 -1.430 -12.589 1.00 0.00 H new ATOM 0 HD11 LEU C 43 14.631 -0.308 -12.168 1.00 0.00 H new ATOM 0 HD12 LEU C 43 13.318 0.465 -11.250 1.00 0.00 H new ATOM 0 HD13 LEU C 43 14.456 -0.627 -10.426 1.00 0.00 H new ATOM 0 HD21 LEU C 43 14.544 -2.758 -12.663 1.00 0.00 H new ATOM 0 HD22 LEU C 43 14.379 -3.115 -10.927 1.00 0.00 H new ATOM 0 HD23 LEU C 43 13.175 -3.735 -12.082 1.00 0.00 H new ATOM 1403 N ASP C 44 11.556 -4.509 -8.968 1.00 0.00 N ATOM 1404 CA ASP C 44 12.117 -5.702 -8.347 1.00 0.00 C ATOM 1405 C ASP C 44 11.523 -6.957 -8.972 1.00 0.00 C ATOM 1406 O ASP C 44 12.234 -7.928 -9.233 1.00 0.00 O ATOM 1407 CB ASP C 44 11.828 -5.692 -6.846 1.00 0.00 C ATOM 1408 CG ASP C 44 12.690 -4.644 -6.150 1.00 0.00 C ATOM 1409 OD1 ASP C 44 13.658 -4.208 -6.753 1.00 0.00 O ATOM 1410 OD2 ASP C 44 12.372 -4.297 -5.026 1.00 0.00 O ATOM 0 H ASP C 44 11.072 -3.880 -8.327 1.00 0.00 H new ATOM 0 HA ASP C 44 13.195 -5.703 -8.509 1.00 0.00 H new ATOM 0 HB2 ASP C 44 10.773 -5.479 -6.673 1.00 0.00 H new ATOM 0 HB3 ASP C 44 12.028 -6.677 -6.423 1.00 0.00 H new ATOM 1415 N ARG C 45 10.220 -6.930 -9.215 1.00 0.00 N ATOM 1416 CA ARG C 45 9.550 -8.076 -9.815 1.00 0.00 C ATOM 1417 C ARG C 45 10.057 -8.302 -11.236 1.00 0.00 C ATOM 1418 O ARG C 45 9.937 -9.397 -11.783 1.00 0.00 O ATOM 1419 CB ARG C 45 8.035 -7.836 -9.843 1.00 0.00 C ATOM 1420 CG ARG C 45 7.321 -9.077 -10.387 1.00 0.00 C ATOM 1421 CD ARG C 45 5.811 -8.841 -10.389 1.00 0.00 C ATOM 1422 NE ARG C 45 5.115 -10.071 -10.752 1.00 0.00 N ATOM 1423 CZ ARG C 45 3.851 -10.047 -11.159 1.00 0.00 C ATOM 1424 NH1 ARG C 45 3.214 -8.913 -11.242 1.00 0.00 N ATOM 1425 NH2 ARG C 45 3.247 -11.159 -11.478 1.00 0.00 N ATOM 0 H ARG C 45 9.612 -6.138 -9.009 1.00 0.00 H new ATOM 0 HA ARG C 45 9.767 -8.961 -9.216 1.00 0.00 H new ATOM 0 HB2 ARG C 45 7.675 -7.609 -8.839 1.00 0.00 H new ATOM 0 HB3 ARG C 45 7.806 -6.972 -10.466 1.00 0.00 H new ATOM 0 HG2 ARG C 45 7.667 -9.294 -11.398 1.00 0.00 H new ATOM 0 HG3 ARG C 45 7.563 -9.946 -9.774 1.00 0.00 H new ATOM 0 HD2 ARG C 45 5.485 -8.506 -9.404 1.00 0.00 H new ATOM 0 HD3 ARG C 45 5.559 -8.049 -11.094 1.00 0.00 H new ATOM 0 HE ARG C 45 5.607 -10.963 -10.692 1.00 0.00 H new ATOM 0 HH11 ARG C 45 3.686 -8.043 -10.994 1.00 0.00 H new ATOM 0 HH12 ARG C 45 2.243 -8.895 -11.555 1.00 0.00 H new ATOM 0 HH21 ARG C 45 3.746 -12.047 -11.415 1.00 0.00 H new ATOM 0 HH22 ARG C 45 2.276 -11.141 -11.791 1.00 0.00 H new ATOM 1439 N LEU C 46 10.616 -7.260 -11.836 1.00 0.00 N ATOM 1440 CA LEU C 46 11.116 -7.369 -13.199 1.00 0.00 C ATOM 1441 C LEU C 46 12.233 -8.413 -13.272 1.00 0.00 C ATOM 1442 O LEU C 46 12.253 -9.267 -14.159 1.00 0.00 O ATOM 1443 CB LEU C 46 11.640 -6.000 -13.666 1.00 0.00 C ATOM 1444 CG LEU C 46 11.544 -5.885 -15.195 1.00 0.00 C ATOM 1445 CD1 LEU C 46 11.983 -4.483 -15.628 1.00 0.00 C ATOM 1446 CD2 LEU C 46 12.429 -6.948 -15.870 1.00 0.00 C ATOM 0 H LEU C 46 10.734 -6.342 -11.408 1.00 0.00 H new ATOM 0 HA LEU C 46 10.303 -7.685 -13.853 1.00 0.00 H new ATOM 0 HB2 LEU C 46 11.062 -5.203 -13.198 1.00 0.00 H new ATOM 0 HB3 LEU C 46 12.675 -5.872 -13.349 1.00 0.00 H new ATOM 0 HG LEU C 46 10.511 -6.052 -15.501 1.00 0.00 H new ATOM 0 HD11 LEU C 46 11.916 -4.399 -16.713 1.00 0.00 H new ATOM 0 HD12 LEU C 46 11.334 -3.739 -15.166 1.00 0.00 H new ATOM 0 HD13 LEU C 46 13.013 -4.311 -15.314 1.00 0.00 H new ATOM 0 HD21 LEU C 46 12.350 -6.853 -16.953 1.00 0.00 H new ATOM 0 HD22 LEU C 46 13.466 -6.803 -15.568 1.00 0.00 H new ATOM 0 HD23 LEU C 46 12.099 -7.942 -15.568 1.00 0.00 H new ATOM 1458 N PHE C 47 13.161 -8.343 -12.327 1.00 0.00 N ATOM 1459 CA PHE C 47 14.274 -9.284 -12.300 1.00 0.00 C ATOM 1460 C PHE C 47 13.771 -10.708 -12.138 1.00 0.00 C ATOM 1461 O PHE C 47 14.207 -11.614 -12.852 1.00 0.00 O ATOM 1462 CB PHE C 47 15.223 -8.940 -11.153 1.00 0.00 C ATOM 1463 CG PHE C 47 15.982 -7.675 -11.484 1.00 0.00 C ATOM 1464 CD1 PHE C 47 17.016 -7.710 -12.428 1.00 0.00 C ATOM 1465 CD2 PHE C 47 15.652 -6.471 -10.851 1.00 0.00 C ATOM 1466 CE1 PHE C 47 17.721 -6.540 -12.735 1.00 0.00 C ATOM 1467 CE2 PHE C 47 16.359 -5.302 -11.161 1.00 0.00 C ATOM 1468 CZ PHE C 47 17.392 -5.336 -12.104 1.00 0.00 C ATOM 0 H PHE C 47 13.167 -7.653 -11.576 1.00 0.00 H new ATOM 0 HA PHE C 47 14.809 -9.209 -13.247 1.00 0.00 H new ATOM 0 HB2 PHE C 47 14.660 -8.807 -10.229 1.00 0.00 H new ATOM 0 HB3 PHE C 47 15.920 -9.761 -10.986 1.00 0.00 H new ATOM 0 HD1 PHE C 47 17.269 -8.638 -12.918 1.00 0.00 H new ATOM 0 HD2 PHE C 47 14.853 -6.443 -10.125 1.00 0.00 H new ATOM 0 HE1 PHE C 47 18.521 -6.567 -13.461 1.00 0.00 H new ATOM 0 HE2 PHE C 47 16.106 -4.373 -10.671 1.00 0.00 H new ATOM 0 HZ PHE C 47 17.935 -4.434 -12.344 1.00 0.00 H new ATOM 1478 N PHE C 48 12.853 -10.909 -11.196 1.00 0.00 N ATOM 1479 CA PHE C 48 12.296 -12.240 -10.945 1.00 0.00 C ATOM 1480 C PHE C 48 10.844 -12.304 -11.398 1.00 0.00 C ATOM 1481 O PHE C 48 9.992 -11.575 -10.890 1.00 0.00 O ATOM 1482 CB PHE C 48 12.375 -12.554 -9.448 1.00 0.00 C ATOM 1483 CG PHE C 48 13.712 -12.095 -8.903 1.00 0.00 C ATOM 1484 CD1 PHE C 48 14.906 -12.434 -9.560 1.00 0.00 C ATOM 1485 CD2 PHE C 48 13.758 -11.313 -7.739 1.00 0.00 C ATOM 1486 CE1 PHE C 48 16.135 -11.999 -9.048 1.00 0.00 C ATOM 1487 CE2 PHE C 48 14.986 -10.881 -7.231 1.00 0.00 C ATOM 1488 CZ PHE C 48 16.174 -11.221 -7.886 1.00 0.00 C ATOM 0 H PHE C 48 12.479 -10.174 -10.596 1.00 0.00 H new ATOM 0 HA PHE C 48 12.874 -12.973 -11.508 1.00 0.00 H new ATOM 0 HB2 PHE C 48 11.564 -12.055 -8.918 1.00 0.00 H new ATOM 0 HB3 PHE C 48 12.252 -13.624 -9.284 1.00 0.00 H new ATOM 0 HD1 PHE C 48 14.877 -13.030 -10.460 1.00 0.00 H new ATOM 0 HD2 PHE C 48 12.842 -11.044 -7.234 1.00 0.00 H new ATOM 0 HE1 PHE C 48 17.053 -12.264 -9.551 1.00 0.00 H new ATOM 0 HE2 PHE C 48 15.018 -10.284 -6.332 1.00 0.00 H new ATOM 0 HZ PHE C 48 17.122 -10.883 -7.495 1.00 0.00 H new ATOM 1498 N LYS C 49 10.569 -13.184 -12.354 1.00 0.00 N ATOM 1499 CA LYS C 49 9.215 -13.342 -12.873 1.00 0.00 C ATOM 1500 C LYS C 49 8.987 -14.775 -13.334 1.00 0.00 C ATOM 1501 O LYS C 49 7.877 -15.257 -13.173 1.00 0.00 O ATOM 1502 CB LYS C 49 8.999 -12.387 -14.045 1.00 0.00 C ATOM 1503 CG LYS C 49 7.533 -12.447 -14.488 1.00 0.00 C ATOM 1504 CD LYS C 49 7.309 -11.514 -15.685 1.00 0.00 C ATOM 1505 CE LYS C 49 7.276 -10.049 -15.228 1.00 0.00 C ATOM 1506 NZ LYS C 49 6.751 -9.202 -16.332 1.00 0.00 N ATOM 1507 OXT LYS C 49 9.923 -15.370 -13.843 1.00 0.00 O ATOM 0 H LYS C 49 11.262 -13.797 -12.784 1.00 0.00 H new ATOM 0 HA LYS C 49 8.506 -13.111 -12.078 1.00 0.00 H new ATOM 0 HB2 LYS C 49 9.261 -11.370 -13.753 1.00 0.00 H new ATOM 0 HB3 LYS C 49 9.652 -12.658 -14.874 1.00 0.00 H new ATOM 0 HG2 LYS C 49 7.268 -13.469 -14.758 1.00 0.00 H new ATOM 0 HG3 LYS C 49 6.883 -12.156 -13.663 1.00 0.00 H new ATOM 0 HD2 LYS C 49 8.105 -11.655 -16.417 1.00 0.00 H new ATOM 0 HD3 LYS C 49 6.372 -11.767 -16.180 1.00 0.00 H new ATOM 0 HE2 LYS C 49 6.647 -9.946 -14.344 1.00 0.00 H new ATOM 0 HE3 LYS C 49 8.277 -9.721 -14.947 1.00 0.00 H new ATOM 0 HZ1 LYS C 49 6.727 -8.208 -16.026 1.00 0.00 H new ATOM 0 HZ2 LYS C 49 7.369 -9.293 -17.164 1.00 0.00 H new ATOM 0 HZ3 LYS C 49 5.789 -9.511 -16.580 1.00 0.00 H new TER 1521 LYS C 49 ATOM 1522 N SER D 19 -16.607 17.422 14.018 1.00 0.00 N ATOM 1523 CA SER D 19 -15.446 18.198 14.539 1.00 0.00 C ATOM 1524 C SER D 19 -14.151 17.508 14.124 1.00 0.00 C ATOM 1525 O SER D 19 -13.765 16.495 14.704 1.00 0.00 O ATOM 1526 CB SER D 19 -15.530 18.276 16.064 1.00 0.00 C ATOM 1527 OG SER D 19 -16.791 18.815 16.437 1.00 0.00 O ATOM 0 HA SER D 19 -15.463 19.207 14.128 1.00 0.00 H new ATOM 0 HB2 SER D 19 -15.403 17.284 16.498 1.00 0.00 H new ATOM 0 HB3 SER D 19 -14.725 18.900 16.453 1.00 0.00 H new ATOM 0 HG SER D 19 -17.434 18.677 15.710 1.00 0.00 H new ATOM 1535 N ASN D 20 -13.484 18.067 13.118 1.00 0.00 N ATOM 1536 CA ASN D 20 -12.229 17.499 12.634 1.00 0.00 C ATOM 1537 C ASN D 20 -12.409 16.029 12.263 1.00 0.00 C ATOM 1538 O ASN D 20 -11.646 15.170 12.703 1.00 0.00 O ATOM 1539 CB ASN D 20 -11.152 17.625 13.714 1.00 0.00 C ATOM 1540 CG ASN D 20 -10.753 19.087 13.882 1.00 0.00 C ATOM 1541 OD1 ASN D 20 -11.000 19.905 12.996 1.00 0.00 O ATOM 1542 ND2 ASN D 20 -10.145 19.465 14.972 1.00 0.00 N ATOM 0 H ASN D 20 -13.788 18.906 12.625 1.00 0.00 H new ATOM 0 HA ASN D 20 -11.922 18.049 11.745 1.00 0.00 H new ATOM 0 HB2 ASN D 20 -11.525 17.230 14.659 1.00 0.00 H new ATOM 0 HB3 ASN D 20 -10.280 17.030 13.441 1.00 0.00 H new ATOM 0 HD21 ASN D 20 -9.873 20.441 15.092 1.00 0.00 H new ATOM 0 HD22 ASN D 20 -9.942 18.785 15.705 1.00 0.00 H new ATOM 1549 N ASP D 21 -13.422 15.748 11.452 1.00 0.00 N ATOM 1550 CA ASP D 21 -13.696 14.379 11.033 1.00 0.00 C ATOM 1551 C ASP D 21 -12.546 13.850 10.177 1.00 0.00 C ATOM 1552 O ASP D 21 -12.183 12.676 10.262 1.00 0.00 O ATOM 1553 CB ASP D 21 -15.013 14.335 10.234 1.00 0.00 C ATOM 1554 CG ASP D 21 -16.221 14.231 11.169 1.00 0.00 C ATOM 1555 OD1 ASP D 21 -16.018 14.099 12.366 1.00 0.00 O ATOM 1556 OD2 ASP D 21 -17.334 14.293 10.671 1.00 0.00 O ATOM 0 H ASP D 21 -14.063 16.445 11.074 1.00 0.00 H new ATOM 0 HA ASP D 21 -13.792 13.748 11.917 1.00 0.00 H new ATOM 0 HB2 ASP D 21 -15.100 15.232 9.621 1.00 0.00 H new ATOM 0 HB3 ASP D 21 -15.001 13.483 9.554 1.00 0.00 H new ATOM 1561 N SER D 22 -11.975 14.722 9.354 1.00 0.00 N ATOM 1562 CA SER D 22 -10.874 14.326 8.488 1.00 0.00 C ATOM 1563 C SER D 22 -9.678 13.871 9.318 1.00 0.00 C ATOM 1564 O SER D 22 -8.821 13.129 8.840 1.00 0.00 O ATOM 1565 CB SER D 22 -10.461 15.499 7.601 1.00 0.00 C ATOM 1566 OG SER D 22 -10.045 16.583 8.421 1.00 0.00 O ATOM 0 H SER D 22 -12.254 15.699 9.269 1.00 0.00 H new ATOM 0 HA SER D 22 -11.207 13.497 7.864 1.00 0.00 H new ATOM 0 HB2 SER D 22 -9.651 15.199 6.936 1.00 0.00 H new ATOM 0 HB3 SER D 22 -11.296 15.804 6.970 1.00 0.00 H new ATOM 0 HG SER D 22 -9.777 17.337 7.855 1.00 0.00 H new ATOM 1572 N SER D 23 -9.632 14.321 10.568 1.00 0.00 N ATOM 1573 CA SER D 23 -8.542 13.956 11.465 1.00 0.00 C ATOM 1574 C SER D 23 -8.753 12.557 12.020 1.00 0.00 C ATOM 1575 O SER D 23 -7.958 12.068 12.821 1.00 0.00 O ATOM 1576 CB SER D 23 -8.448 14.958 12.615 1.00 0.00 C ATOM 1577 OG SER D 23 -8.528 16.276 12.090 1.00 0.00 O ATOM 0 H SER D 23 -10.333 14.936 10.981 1.00 0.00 H new ATOM 0 HA SER D 23 -7.611 13.972 10.898 1.00 0.00 H new ATOM 0 HB2 SER D 23 -9.254 14.788 13.329 1.00 0.00 H new ATOM 0 HB3 SER D 23 -7.510 14.824 13.155 1.00 0.00 H new ATOM 0 HG SER D 23 -8.160 16.910 12.740 1.00 0.00 H new ATOM 1583 N ASP D 24 -9.842 11.921 11.602 1.00 0.00 N ATOM 1584 CA ASP D 24 -10.160 10.580 12.081 1.00 0.00 C ATOM 1585 C ASP D 24 -8.905 9.702 12.092 1.00 0.00 C ATOM 1586 O ASP D 24 -7.976 9.923 11.314 1.00 0.00 O ATOM 1587 CB ASP D 24 -11.236 9.946 11.178 1.00 0.00 C ATOM 1588 CG ASP D 24 -12.629 10.364 11.637 1.00 0.00 C ATOM 1589 OD1 ASP D 24 -12.717 11.313 12.398 1.00 0.00 O ATOM 1590 OD2 ASP D 24 -13.585 9.728 11.225 1.00 0.00 O ATOM 0 H ASP D 24 -10.514 12.307 10.939 1.00 0.00 H new ATOM 0 HA ASP D 24 -10.541 10.654 13.100 1.00 0.00 H new ATOM 0 HB2 ASP D 24 -11.079 10.253 10.144 1.00 0.00 H new ATOM 0 HB3 ASP D 24 -11.148 8.860 11.204 1.00 0.00 H new ATOM 1595 N PRO D 25 -8.865 8.719 12.958 1.00 0.00 N ATOM 1596 CA PRO D 25 -7.699 7.792 13.069 1.00 0.00 C ATOM 1597 C PRO D 25 -7.502 6.964 11.798 1.00 0.00 C ATOM 1598 O PRO D 25 -6.396 6.508 11.512 1.00 0.00 O ATOM 1599 CB PRO D 25 -8.058 6.895 14.274 1.00 0.00 C ATOM 1600 CG PRO D 25 -9.548 6.976 14.390 1.00 0.00 C ATOM 1601 CD PRO D 25 -9.923 8.380 13.927 1.00 0.00 C ATOM 0 HA PRO D 25 -6.758 8.326 13.202 1.00 0.00 H new ATOM 0 HB2 PRO D 25 -7.730 5.868 14.112 1.00 0.00 H new ATOM 0 HB3 PRO D 25 -7.572 7.245 15.185 1.00 0.00 H new ATOM 0 HG2 PRO D 25 -10.030 6.218 13.772 1.00 0.00 H new ATOM 0 HG3 PRO D 25 -9.871 6.803 15.417 1.00 0.00 H new ATOM 0 HD2 PRO D 25 -10.910 8.400 13.466 1.00 0.00 H new ATOM 0 HD3 PRO D 25 -9.945 9.084 14.759 1.00 0.00 H new ATOM 1609 N LEU D 26 -8.577 6.771 11.045 1.00 0.00 N ATOM 1610 CA LEU D 26 -8.497 5.990 9.820 1.00 0.00 C ATOM 1611 C LEU D 26 -7.563 6.661 8.816 1.00 0.00 C ATOM 1612 O LEU D 26 -6.724 6.004 8.198 1.00 0.00 O ATOM 1613 CB LEU D 26 -9.900 5.847 9.209 1.00 0.00 C ATOM 1614 CG LEU D 26 -10.668 4.737 9.931 1.00 0.00 C ATOM 1615 CD1 LEU D 26 -10.737 5.051 11.428 1.00 0.00 C ATOM 1616 CD2 LEU D 26 -12.087 4.648 9.362 1.00 0.00 C ATOM 0 H LEU D 26 -9.504 7.140 11.258 1.00 0.00 H new ATOM 0 HA LEU D 26 -8.099 5.003 10.058 1.00 0.00 H new ATOM 0 HB2 LEU D 26 -10.441 6.790 9.292 1.00 0.00 H new ATOM 0 HB3 LEU D 26 -9.822 5.617 8.146 1.00 0.00 H new ATOM 0 HG LEU D 26 -10.156 3.786 9.784 1.00 0.00 H new ATOM 0 HD11 LEU D 26 -11.284 4.260 11.941 1.00 0.00 H new ATOM 0 HD12 LEU D 26 -9.727 5.115 11.833 1.00 0.00 H new ATOM 0 HD13 LEU D 26 -11.249 6.002 11.577 1.00 0.00 H new ATOM 0 HD21 LEU D 26 -12.636 3.858 9.875 1.00 0.00 H new ATOM 0 HD22 LEU D 26 -12.598 5.599 9.509 1.00 0.00 H new ATOM 0 HD23 LEU D 26 -12.038 4.423 8.297 1.00 0.00 H new ATOM 1628 N VAL D 27 -7.710 7.971 8.663 1.00 0.00 N ATOM 1629 CA VAL D 27 -6.869 8.717 7.734 1.00 0.00 C ATOM 1630 C VAL D 27 -5.425 8.751 8.225 1.00 0.00 C ATOM 1631 O VAL D 27 -4.488 8.516 7.458 1.00 0.00 O ATOM 1632 CB VAL D 27 -7.400 10.145 7.582 1.00 0.00 C ATOM 1633 CG1 VAL D 27 -6.440 10.959 6.712 1.00 0.00 C ATOM 1634 CG2 VAL D 27 -8.781 10.110 6.922 1.00 0.00 C ATOM 0 H VAL D 27 -8.396 8.535 9.164 1.00 0.00 H new ATOM 0 HA VAL D 27 -6.895 8.217 6.766 1.00 0.00 H new ATOM 0 HB VAL D 27 -7.479 10.608 8.566 1.00 0.00 H new ATOM 0 HG11 VAL D 27 -6.819 11.975 6.605 1.00 0.00 H new ATOM 0 HG12 VAL D 27 -5.457 10.986 7.182 1.00 0.00 H new ATOM 0 HG13 VAL D 27 -6.359 10.496 5.728 1.00 0.00 H new ATOM 0 HG21 VAL D 27 -9.159 11.127 6.814 1.00 0.00 H new ATOM 0 HG22 VAL D 27 -8.703 9.646 5.939 1.00 0.00 H new ATOM 0 HG23 VAL D 27 -9.466 9.533 7.542 1.00 0.00 H new ATOM 1644 N VAL D 28 -5.255 9.047 9.509 1.00 0.00 N ATOM 1645 CA VAL D 28 -3.925 9.117 10.097 1.00 0.00 C ATOM 1646 C VAL D 28 -3.245 7.753 10.044 1.00 0.00 C ATOM 1647 O VAL D 28 -2.069 7.648 9.697 1.00 0.00 O ATOM 1648 CB VAL D 28 -4.016 9.593 11.551 1.00 0.00 C ATOM 1649 CG1 VAL D 28 -2.637 9.501 12.212 1.00 0.00 C ATOM 1650 CG2 VAL D 28 -4.501 11.045 11.584 1.00 0.00 C ATOM 0 H VAL D 28 -6.017 9.241 10.158 1.00 0.00 H new ATOM 0 HA VAL D 28 -3.332 9.828 9.523 1.00 0.00 H new ATOM 0 HB VAL D 28 -4.719 8.961 12.093 1.00 0.00 H new ATOM 0 HG11 VAL D 28 -2.706 9.840 13.246 1.00 0.00 H new ATOM 0 HG12 VAL D 28 -2.292 8.467 12.192 1.00 0.00 H new ATOM 0 HG13 VAL D 28 -1.931 10.130 11.670 1.00 0.00 H new ATOM 0 HG21 VAL D 28 -4.566 11.384 12.618 1.00 0.00 H new ATOM 0 HG22 VAL D 28 -3.799 11.676 11.039 1.00 0.00 H new ATOM 0 HG23 VAL D 28 -5.484 11.111 11.118 1.00 0.00 H new ATOM 1660 N ALA D 29 -3.992 6.714 10.394 1.00 0.00 N ATOM 1661 CA ALA D 29 -3.448 5.363 10.385 1.00 0.00 C ATOM 1662 C ALA D 29 -2.997 4.975 8.982 1.00 0.00 C ATOM 1663 O ALA D 29 -1.944 4.369 8.808 1.00 0.00 O ATOM 1664 CB ALA D 29 -4.508 4.370 10.871 1.00 0.00 C ATOM 0 H ALA D 29 -4.967 6.779 10.685 1.00 0.00 H new ATOM 0 HA ALA D 29 -2.587 5.335 11.053 1.00 0.00 H new ATOM 0 HB1 ALA D 29 -4.094 3.362 10.861 1.00 0.00 H new ATOM 0 HB2 ALA D 29 -4.811 4.628 11.886 1.00 0.00 H new ATOM 0 HB3 ALA D 29 -5.375 4.412 10.212 1.00 0.00 H new ATOM 1670 N ALA D 30 -3.796 5.330 7.985 1.00 0.00 N ATOM 1671 CA ALA D 30 -3.459 5.003 6.605 1.00 0.00 C ATOM 1672 C ALA D 30 -2.063 5.505 6.258 1.00 0.00 C ATOM 1673 O ALA D 30 -1.236 4.759 5.733 1.00 0.00 O ATOM 1674 CB ALA D 30 -4.480 5.638 5.662 1.00 0.00 C ATOM 0 H ALA D 30 -4.672 5.839 8.102 1.00 0.00 H new ATOM 0 HA ALA D 30 -3.478 3.919 6.491 1.00 0.00 H new ATOM 0 HB1 ALA D 30 -4.225 5.392 4.631 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -5.474 5.255 5.892 1.00 0.00 H new ATOM 0 HB3 ALA D 30 -4.469 6.720 5.790 1.00 0.00 H new ATOM 1680 N SER D 31 -1.804 6.772 6.557 1.00 0.00 N ATOM 1681 CA SER D 31 -0.497 7.360 6.277 1.00 0.00 C ATOM 1682 C SER D 31 0.595 6.657 7.075 1.00 0.00 C ATOM 1683 O SER D 31 1.669 6.370 6.555 1.00 0.00 O ATOM 1684 CB SER D 31 -0.507 8.846 6.620 1.00 0.00 C ATOM 1685 OG SER D 31 0.830 9.321 6.675 1.00 0.00 O ATOM 0 H SER D 31 -2.474 7.408 6.989 1.00 0.00 H new ATOM 0 HA SER D 31 -0.288 7.235 5.215 1.00 0.00 H new ATOM 0 HB2 SER D 31 -1.072 9.401 5.871 1.00 0.00 H new ATOM 0 HB3 SER D 31 -1.003 9.007 7.577 1.00 0.00 H new ATOM 0 HG SER D 31 0.829 10.276 6.894 1.00 0.00 H new ATOM 1691 N ILE D 32 0.308 6.384 8.344 1.00 0.00 N ATOM 1692 CA ILE D 32 1.273 5.719 9.217 1.00 0.00 C ATOM 1693 C ILE D 32 1.608 4.326 8.693 1.00 0.00 C ATOM 1694 O ILE D 32 2.767 3.911 8.711 1.00 0.00 O ATOM 1695 CB ILE D 32 0.717 5.618 10.642 1.00 0.00 C ATOM 1696 CG1 ILE D 32 0.633 7.015 11.256 1.00 0.00 C ATOM 1697 CG2 ILE D 32 1.637 4.738 11.492 1.00 0.00 C ATOM 1698 CD1 ILE D 32 -0.135 6.945 12.577 1.00 0.00 C ATOM 0 H ILE D 32 -0.580 6.611 8.791 1.00 0.00 H new ATOM 0 HA ILE D 32 2.186 6.314 9.230 1.00 0.00 H new ATOM 0 HB ILE D 32 -0.278 5.174 10.612 1.00 0.00 H new ATOM 0 HG12 ILE D 32 1.635 7.410 11.426 1.00 0.00 H new ATOM 0 HG13 ILE D 32 0.133 7.697 10.568 1.00 0.00 H new ATOM 0 HG21 ILE D 32 1.240 4.668 12.505 1.00 0.00 H new ATOM 0 HG22 ILE D 32 1.693 3.741 11.054 1.00 0.00 H new ATOM 0 HG23 ILE D 32 2.634 5.177 11.523 1.00 0.00 H new ATOM 0 HD11 ILE D 32 -0.196 7.941 13.016 1.00 0.00 H new ATOM 0 HD12 ILE D 32 -1.141 6.568 12.393 1.00 0.00 H new ATOM 0 HD13 ILE D 32 0.383 6.277 13.264 1.00 0.00 H new ATOM 1710 N ILE D 33 0.595 3.610 8.236 1.00 0.00 N ATOM 1711 CA ILE D 33 0.803 2.263 7.720 1.00 0.00 C ATOM 1712 C ILE D 33 1.790 2.277 6.557 1.00 0.00 C ATOM 1713 O ILE D 33 2.665 1.417 6.470 1.00 0.00 O ATOM 1714 CB ILE D 33 -0.534 1.680 7.247 1.00 0.00 C ATOM 1715 CG1 ILE D 33 -1.419 1.357 8.455 1.00 0.00 C ATOM 1716 CG2 ILE D 33 -0.299 0.403 6.432 1.00 0.00 C ATOM 1717 CD1 ILE D 33 -2.865 1.134 7.994 1.00 0.00 C ATOM 0 H ILE D 33 -0.372 3.933 8.210 1.00 0.00 H new ATOM 0 HA ILE D 33 1.213 1.646 8.520 1.00 0.00 H new ATOM 0 HB ILE D 33 -1.032 2.418 6.618 1.00 0.00 H new ATOM 0 HG12 ILE D 33 -1.048 0.466 8.962 1.00 0.00 H new ATOM 0 HG13 ILE D 33 -1.379 2.174 9.176 1.00 0.00 H new ATOM 0 HG21 ILE D 33 -1.257 0.000 6.103 1.00 0.00 H new ATOM 0 HG22 ILE D 33 0.316 0.635 5.562 1.00 0.00 H new ATOM 0 HG23 ILE D 33 0.212 -0.335 7.051 1.00 0.00 H new ATOM 0 HD11 ILE D 33 -3.491 0.905 8.857 1.00 0.00 H new ATOM 0 HD12 ILE D 33 -3.235 2.036 7.507 1.00 0.00 H new ATOM 0 HD13 ILE D 33 -2.898 0.302 7.290 1.00 0.00 H new ATOM 1729 N GLY D 34 1.639 3.242 5.665 1.00 0.00 N ATOM 1730 CA GLY D 34 2.523 3.331 4.513 1.00 0.00 C ATOM 1731 C GLY D 34 3.976 3.503 4.943 1.00 0.00 C ATOM 1732 O GLY D 34 4.856 2.789 4.470 1.00 0.00 O ATOM 0 H GLY D 34 0.923 3.966 5.714 1.00 0.00 H new ATOM 0 HA2 GLY D 34 2.425 2.431 3.906 1.00 0.00 H new ATOM 0 HA3 GLY D 34 2.225 4.172 3.887 1.00 0.00 H new ATOM 1736 N ILE D 35 4.219 4.457 5.836 1.00 0.00 N ATOM 1737 CA ILE D 35 5.577 4.714 6.310 1.00 0.00 C ATOM 1738 C ILE D 35 6.136 3.512 7.057 1.00 0.00 C ATOM 1739 O ILE D 35 7.261 3.093 6.817 1.00 0.00 O ATOM 1740 CB ILE D 35 5.585 5.931 7.234 1.00 0.00 C ATOM 1741 CG1 ILE D 35 4.939 7.124 6.517 1.00 0.00 C ATOM 1742 CG2 ILE D 35 7.020 6.285 7.624 1.00 0.00 C ATOM 1743 CD1 ILE D 35 5.649 7.421 5.187 1.00 0.00 C ATOM 0 H ILE D 35 3.504 5.059 6.243 1.00 0.00 H new ATOM 0 HA ILE D 35 6.205 4.905 5.440 1.00 0.00 H new ATOM 0 HB ILE D 35 5.019 5.696 8.136 1.00 0.00 H new ATOM 0 HG12 ILE D 35 3.886 6.914 6.331 1.00 0.00 H new ATOM 0 HG13 ILE D 35 4.980 8.004 7.159 1.00 0.00 H new ATOM 0 HG21 ILE D 35 7.014 7.154 8.282 1.00 0.00 H new ATOM 0 HG22 ILE D 35 7.475 5.440 8.141 1.00 0.00 H new ATOM 0 HG23 ILE D 35 7.595 6.514 6.727 1.00 0.00 H new ATOM 0 HD11 ILE D 35 5.170 8.271 4.701 1.00 0.00 H new ATOM 0 HD12 ILE D 35 6.696 7.655 5.378 1.00 0.00 H new ATOM 0 HD13 ILE D 35 5.585 6.548 4.537 1.00 0.00 H new ATOM 1755 N LEU D 36 5.350 2.967 7.970 1.00 0.00 N ATOM 1756 CA LEU D 36 5.800 1.825 8.753 1.00 0.00 C ATOM 1757 C LEU D 36 6.090 0.625 7.858 1.00 0.00 C ATOM 1758 O LEU D 36 7.096 -0.059 8.030 1.00 0.00 O ATOM 1759 CB LEU D 36 4.729 1.448 9.779 1.00 0.00 C ATOM 1760 CG LEU D 36 4.747 2.440 10.959 1.00 0.00 C ATOM 1761 CD1 LEU D 36 3.580 2.123 11.915 1.00 0.00 C ATOM 1762 CD2 LEU D 36 6.097 2.363 11.719 1.00 0.00 C ATOM 0 H LEU D 36 4.407 3.291 8.187 1.00 0.00 H new ATOM 0 HA LEU D 36 6.721 2.105 9.264 1.00 0.00 H new ATOM 0 HB2 LEU D 36 3.746 1.451 9.307 1.00 0.00 H new ATOM 0 HB3 LEU D 36 4.905 0.436 10.143 1.00 0.00 H new ATOM 0 HG LEU D 36 4.633 3.452 10.571 1.00 0.00 H new ATOM 0 HD11 LEU D 36 3.592 2.824 12.749 1.00 0.00 H new ATOM 0 HD12 LEU D 36 2.635 2.214 11.379 1.00 0.00 H new ATOM 0 HD13 LEU D 36 3.686 1.106 12.294 1.00 0.00 H new ATOM 0 HD21 LEU D 36 6.089 3.071 12.548 1.00 0.00 H new ATOM 0 HD22 LEU D 36 6.240 1.354 12.105 1.00 0.00 H new ATOM 0 HD23 LEU D 36 6.912 2.610 11.039 1.00 0.00 H new ATOM 1774 N HIS D 37 5.205 0.374 6.910 1.00 0.00 N ATOM 1775 CA HIS D 37 5.380 -0.751 6.004 1.00 0.00 C ATOM 1776 C HIS D 37 6.607 -0.551 5.126 1.00 0.00 C ATOM 1777 O HIS D 37 7.363 -1.489 4.882 1.00 0.00 O ATOM 1778 CB HIS D 37 4.142 -0.903 5.129 1.00 0.00 C ATOM 1779 CG HIS D 37 4.307 -2.102 4.239 1.00 0.00 C ATOM 1780 ND1 HIS D 37 5.218 -2.391 3.254 1.00 0.00 N flip ATOM 1781 CD2 HIS D 37 3.469 -3.201 4.313 1.00 0.00 C flip ATOM 1782 CE1 HIS D 37 4.949 -3.648 2.722 1.00 0.00 C flip ATOM 1783 NE2 HIS D 37 3.888 -4.094 3.398 1.00 0.00 N flip ATOM 0 H HIS D 37 4.364 0.928 6.747 1.00 0.00 H new ATOM 0 HA HIS D 37 5.522 -1.654 6.597 1.00 0.00 H new ATOM 0 HB2 HIS D 37 3.255 -1.017 5.751 1.00 0.00 H new ATOM 0 HB3 HIS D 37 3.996 -0.006 4.527 1.00 0.00 H new ATOM 0 HD2 HIS D 37 2.631 -3.320 4.984 1.00 0.00 H new ATOM 0 HE1 HIS D 37 5.484 -4.154 1.932 1.00 0.00 H new ATOM 0 HE2 HIS D 37 3.449 -5.001 3.240 1.00 0.00 H new ATOM 1791 N LEU D 38 6.789 0.670 4.643 1.00 0.00 N ATOM 1792 CA LEU D 38 7.921 0.976 3.779 1.00 0.00 C ATOM 1793 C LEU D 38 9.238 0.760 4.515 1.00 0.00 C ATOM 1794 O LEU D 38 10.192 0.251 3.940 1.00 0.00 O ATOM 1795 CB LEU D 38 7.823 2.438 3.278 1.00 0.00 C ATOM 1796 CG LEU D 38 7.385 2.461 1.809 1.00 0.00 C ATOM 1797 CD1 LEU D 38 6.935 3.874 1.435 1.00 0.00 C ATOM 1798 CD2 LEU D 38 8.557 2.009 0.902 1.00 0.00 C ATOM 0 H LEU D 38 6.172 1.460 4.833 1.00 0.00 H new ATOM 0 HA LEU D 38 7.894 0.302 2.923 1.00 0.00 H new ATOM 0 HB2 LEU D 38 7.110 2.993 3.887 1.00 0.00 H new ATOM 0 HB3 LEU D 38 8.788 2.934 3.386 1.00 0.00 H new ATOM 0 HG LEU D 38 6.552 1.773 1.666 1.00 0.00 H new ATOM 0 HD11 LEU D 38 6.623 3.892 0.391 1.00 0.00 H new ATOM 0 HD12 LEU D 38 6.099 4.169 2.069 1.00 0.00 H new ATOM 0 HD13 LEU D 38 7.762 4.569 1.579 1.00 0.00 H new ATOM 0 HD21 LEU D 38 8.239 2.028 -0.140 1.00 0.00 H new ATOM 0 HD22 LEU D 38 9.402 2.685 1.036 1.00 0.00 H new ATOM 0 HD23 LEU D 38 8.856 0.996 1.172 1.00 0.00 H new ATOM 1810 N ILE D 39 9.284 1.151 5.775 1.00 0.00 N ATOM 1811 CA ILE D 39 10.505 0.996 6.552 1.00 0.00 C ATOM 1812 C ILE D 39 10.885 -0.479 6.665 1.00 0.00 C ATOM 1813 O ILE D 39 12.043 -0.844 6.504 1.00 0.00 O ATOM 1814 CB ILE D 39 10.298 1.588 7.948 1.00 0.00 C ATOM 1815 CG1 ILE D 39 10.197 3.114 7.850 1.00 0.00 C ATOM 1816 CG2 ILE D 39 11.472 1.211 8.856 1.00 0.00 C ATOM 1817 CD1 ILE D 39 9.644 3.673 9.162 1.00 0.00 C ATOM 0 H ILE D 39 8.504 1.573 6.279 1.00 0.00 H new ATOM 0 HA ILE D 39 11.314 1.523 6.047 1.00 0.00 H new ATOM 0 HB ILE D 39 9.376 1.188 8.370 1.00 0.00 H new ATOM 0 HG12 ILE D 39 11.178 3.542 7.645 1.00 0.00 H new ATOM 0 HG13 ILE D 39 9.548 3.394 7.021 1.00 0.00 H new ATOM 0 HG21 ILE D 39 11.316 1.636 9.847 1.00 0.00 H new ATOM 0 HG22 ILE D 39 11.538 0.126 8.933 1.00 0.00 H new ATOM 0 HG23 ILE D 39 12.398 1.602 8.435 1.00 0.00 H new ATOM 0 HD11 ILE D 39 9.572 4.758 9.093 1.00 0.00 H new ATOM 0 HD12 ILE D 39 8.655 3.255 9.348 1.00 0.00 H new ATOM 0 HD13 ILE D 39 10.311 3.405 9.981 1.00 0.00 H new ATOM 1829 N LEU D 40 9.908 -1.319 6.947 1.00 0.00 N ATOM 1830 CA LEU D 40 10.166 -2.750 7.067 1.00 0.00 C ATOM 1831 C LEU D 40 10.386 -3.387 5.699 1.00 0.00 C ATOM 1832 O LEU D 40 11.262 -4.236 5.525 1.00 0.00 O ATOM 1833 CB LEU D 40 8.998 -3.426 7.771 1.00 0.00 C ATOM 1834 CG LEU D 40 8.723 -2.713 9.100 1.00 0.00 C ATOM 1835 CD1 LEU D 40 7.486 -3.329 9.758 1.00 0.00 C ATOM 1836 CD2 LEU D 40 9.934 -2.856 10.040 1.00 0.00 C ATOM 0 H LEU D 40 8.937 -1.045 7.097 1.00 0.00 H new ATOM 0 HA LEU D 40 11.074 -2.885 7.654 1.00 0.00 H new ATOM 0 HB2 LEU D 40 8.111 -3.395 7.139 1.00 0.00 H new ATOM 0 HB3 LEU D 40 9.226 -4.477 7.950 1.00 0.00 H new ATOM 0 HG LEU D 40 8.549 -1.654 8.909 1.00 0.00 H new ATOM 0 HD11 LEU D 40 7.287 -2.824 10.704 1.00 0.00 H new ATOM 0 HD12 LEU D 40 6.627 -3.213 9.097 1.00 0.00 H new ATOM 0 HD13 LEU D 40 7.662 -4.389 9.942 1.00 0.00 H new ATOM 0 HD21 LEU D 40 9.727 -2.346 10.981 1.00 0.00 H new ATOM 0 HD22 LEU D 40 10.121 -3.912 10.234 1.00 0.00 H new ATOM 0 HD23 LEU D 40 10.812 -2.412 9.572 1.00 0.00 H new ATOM 1848 N TRP D 41 9.567 -2.985 4.735 1.00 0.00 N ATOM 1849 CA TRP D 41 9.659 -3.535 3.388 1.00 0.00 C ATOM 1850 C TRP D 41 10.946 -3.109 2.687 1.00 0.00 C ATOM 1851 O TRP D 41 11.629 -3.930 2.075 1.00 0.00 O ATOM 1852 CB TRP D 41 8.441 -3.101 2.561 1.00 0.00 C ATOM 1853 CG TRP D 41 8.638 -3.501 1.132 1.00 0.00 C ATOM 1854 CD1 TRP D 41 8.390 -4.728 0.624 1.00 0.00 C ATOM 1855 CD2 TRP D 41 9.064 -2.671 0.011 1.00 0.00 C ATOM 1856 NE1 TRP D 41 8.697 -4.722 -0.725 1.00 0.00 N ATOM 1857 CE2 TRP D 41 9.102 -3.474 -1.149 1.00 0.00 C ATOM 1858 CE3 TRP D 41 9.431 -1.320 -0.108 1.00 0.00 C ATOM 1859 CZ2 TRP D 41 9.486 -2.956 -2.379 1.00 0.00 C ATOM 1860 CZ3 TRP D 41 9.809 -0.794 -1.353 1.00 0.00 C ATOM 1861 CH2 TRP D 41 9.839 -1.612 -2.483 1.00 0.00 C ATOM 0 H TRP D 41 8.836 -2.285 4.859 1.00 0.00 H new ATOM 0 HA TRP D 41 9.674 -4.622 3.474 1.00 0.00 H new ATOM 0 HB2 TRP D 41 7.536 -3.562 2.957 1.00 0.00 H new ATOM 0 HB3 TRP D 41 8.306 -2.022 2.632 1.00 0.00 H new ATOM 0 HD1 TRP D 41 8.014 -5.574 1.180 1.00 0.00 H new ATOM 0 HE1 TRP D 41 8.632 -5.540 -1.331 1.00 0.00 H new ATOM 0 HE3 TRP D 41 9.422 -0.683 0.764 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 9.511 -3.592 -3.251 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 10.078 0.249 -1.437 1.00 0.00 H new ATOM 0 HH2 TRP D 41 10.136 -1.204 -3.438 1.00 0.00 H new ATOM 1872 N ILE D 42 11.260 -1.831 2.766 1.00 0.00 N ATOM 1873 CA ILE D 42 12.454 -1.317 2.118 1.00 0.00 C ATOM 1874 C ILE D 42 13.696 -1.984 2.696 1.00 0.00 C ATOM 1875 O ILE D 42 14.648 -2.274 1.973 1.00 0.00 O ATOM 1876 CB ILE D 42 12.540 0.204 2.318 1.00 0.00 C ATOM 1877 CG1 ILE D 42 13.595 0.789 1.379 1.00 0.00 C ATOM 1878 CG2 ILE D 42 12.922 0.522 3.771 1.00 0.00 C ATOM 1879 CD1 ILE D 42 13.510 2.316 1.413 1.00 0.00 C ATOM 0 H ILE D 42 10.711 -1.133 3.268 1.00 0.00 H new ATOM 0 HA ILE D 42 12.399 -1.538 1.052 1.00 0.00 H new ATOM 0 HB ILE D 42 11.568 0.645 2.096 1.00 0.00 H new ATOM 0 HG12 ILE D 42 14.590 0.462 1.682 1.00 0.00 H new ATOM 0 HG13 ILE D 42 13.436 0.427 0.363 1.00 0.00 H new ATOM 0 HG21 ILE D 42 12.981 1.602 3.904 1.00 0.00 H new ATOM 0 HG22 ILE D 42 12.167 0.114 4.443 1.00 0.00 H new ATOM 0 HG23 ILE D 42 13.890 0.075 3.999 1.00 0.00 H new ATOM 0 HD11 ILE D 42 14.261 2.737 0.745 1.00 0.00 H new ATOM 0 HD12 ILE D 42 12.518 2.632 1.090 1.00 0.00 H new ATOM 0 HD13 ILE D 42 13.690 2.668 2.429 1.00 0.00 H new ATOM 1891 N LEU D 43 13.686 -2.215 4.005 1.00 0.00 N ATOM 1892 CA LEU D 43 14.829 -2.832 4.661 1.00 0.00 C ATOM 1893 C LEU D 43 15.060 -4.237 4.097 1.00 0.00 C ATOM 1894 O LEU D 43 16.194 -4.650 3.858 1.00 0.00 O ATOM 1895 CB LEU D 43 14.585 -2.904 6.182 1.00 0.00 C ATOM 1896 CG LEU D 43 15.914 -2.819 6.938 1.00 0.00 C ATOM 1897 CD1 LEU D 43 15.648 -2.895 8.443 1.00 0.00 C ATOM 1898 CD2 LEU D 43 16.843 -3.960 6.507 1.00 0.00 C ATOM 0 H LEU D 43 12.908 -1.987 4.624 1.00 0.00 H new ATOM 0 HA LEU D 43 15.716 -2.227 4.474 1.00 0.00 H new ATOM 0 HB2 LEU D 43 13.930 -2.089 6.491 1.00 0.00 H new ATOM 0 HB3 LEU D 43 14.076 -3.835 6.432 1.00 0.00 H new ATOM 0 HG LEU D 43 16.400 -1.872 6.705 1.00 0.00 H new ATOM 0 HD11 LEU D 43 16.593 -2.835 8.983 1.00 0.00 H new ATOM 0 HD12 LEU D 43 15.006 -2.066 8.741 1.00 0.00 H new ATOM 0 HD13 LEU D 43 15.155 -3.838 8.678 1.00 0.00 H new ATOM 0 HD21 LEU D 43 17.784 -3.888 7.052 1.00 0.00 H new ATOM 0 HD22 LEU D 43 16.369 -4.917 6.726 1.00 0.00 H new ATOM 0 HD23 LEU D 43 17.037 -3.887 5.437 1.00 0.00 H new ATOM 1910 N ASP D 44 13.973 -4.969 3.884 1.00 0.00 N ATOM 1911 CA ASP D 44 14.077 -6.324 3.360 1.00 0.00 C ATOM 1912 C ASP D 44 14.768 -6.318 2.003 1.00 0.00 C ATOM 1913 O ASP D 44 15.603 -7.176 1.718 1.00 0.00 O ATOM 1914 CB ASP D 44 12.681 -6.936 3.222 1.00 0.00 C ATOM 1915 CG ASP D 44 12.112 -7.265 4.598 1.00 0.00 C ATOM 1916 OD1 ASP D 44 12.882 -7.311 5.542 1.00 0.00 O ATOM 1917 OD2 ASP D 44 10.912 -7.469 4.687 1.00 0.00 O ATOM 0 H ASP D 44 13.020 -4.652 4.064 1.00 0.00 H new ATOM 0 HA ASP D 44 14.669 -6.921 4.054 1.00 0.00 H new ATOM 0 HB2 ASP D 44 12.021 -6.240 2.704 1.00 0.00 H new ATOM 0 HB3 ASP D 44 12.731 -7.840 2.615 1.00 0.00 H new ATOM 1922 N ARG D 45 14.421 -5.346 1.171 1.00 0.00 N ATOM 1923 CA ARG D 45 15.024 -5.244 -0.151 1.00 0.00 C ATOM 1924 C ARG D 45 16.513 -4.936 -0.031 1.00 0.00 C ATOM 1925 O ARG D 45 17.286 -5.185 -0.956 1.00 0.00 O ATOM 1926 CB ARG D 45 14.333 -4.135 -0.953 1.00 0.00 C ATOM 1927 CG ARG D 45 14.898 -4.090 -2.377 1.00 0.00 C ATOM 1928 CD ARG D 45 14.193 -2.997 -3.177 1.00 0.00 C ATOM 1929 NE ARG D 45 14.612 -3.052 -4.572 1.00 0.00 N ATOM 1930 CZ ARG D 45 14.420 -2.020 -5.387 1.00 0.00 C ATOM 1931 NH1 ARG D 45 13.852 -0.936 -4.939 1.00 0.00 N ATOM 1932 NH2 ARG D 45 14.803 -2.089 -6.632 1.00 0.00 N ATOM 0 H ARG D 45 13.733 -4.624 1.384 1.00 0.00 H new ATOM 0 HA ARG D 45 14.900 -6.196 -0.667 1.00 0.00 H new ATOM 0 HB2 ARG D 45 13.258 -4.313 -0.985 1.00 0.00 H new ATOM 0 HB3 ARG D 45 14.482 -3.173 -0.463 1.00 0.00 H new ATOM 0 HG2 ARG D 45 15.970 -3.898 -2.347 1.00 0.00 H new ATOM 0 HG3 ARG D 45 14.761 -5.056 -2.863 1.00 0.00 H new ATOM 0 HD2 ARG D 45 13.113 -3.124 -3.108 1.00 0.00 H new ATOM 0 HD3 ARG D 45 14.427 -2.019 -2.757 1.00 0.00 H new ATOM 0 HE ARG D 45 15.060 -3.896 -4.928 1.00 0.00 H new ATOM 0 HH11 ARG D 45 13.556 -0.881 -3.965 1.00 0.00 H new ATOM 0 HH12 ARG D 45 13.704 -0.143 -5.563 1.00 0.00 H new ATOM 0 HH21 ARG D 45 15.251 -2.936 -6.982 1.00 0.00 H new ATOM 0 HH22 ARG D 45 14.655 -1.296 -7.256 1.00 0.00 H new ATOM 1946 N LEU D 46 16.910 -4.384 1.106 1.00 0.00 N ATOM 1947 CA LEU D 46 18.310 -4.034 1.310 1.00 0.00 C ATOM 1948 C LEU D 46 19.185 -5.289 1.243 1.00 0.00 C ATOM 1949 O LEU D 46 20.225 -5.306 0.585 1.00 0.00 O ATOM 1950 CB LEU D 46 18.474 -3.348 2.680 1.00 0.00 C ATOM 1951 CG LEU D 46 19.688 -2.408 2.665 1.00 0.00 C ATOM 1952 CD1 LEU D 46 19.777 -1.670 4.002 1.00 0.00 C ATOM 1953 CD2 LEU D 46 20.981 -3.203 2.412 1.00 0.00 C ATOM 0 H LEU D 46 16.295 -4.171 1.891 1.00 0.00 H new ATOM 0 HA LEU D 46 18.625 -3.349 0.523 1.00 0.00 H new ATOM 0 HB2 LEU D 46 17.573 -2.785 2.922 1.00 0.00 H new ATOM 0 HB3 LEU D 46 18.598 -4.101 3.458 1.00 0.00 H new ATOM 0 HG LEU D 46 19.567 -1.684 1.859 1.00 0.00 H new ATOM 0 HD11 LEU D 46 20.639 -1.002 3.992 1.00 0.00 H new ATOM 0 HD12 LEU D 46 18.869 -1.088 4.157 1.00 0.00 H new ATOM 0 HD13 LEU D 46 19.887 -2.393 4.810 1.00 0.00 H new ATOM 0 HD21 LEU D 46 21.832 -2.521 2.404 1.00 0.00 H new ATOM 0 HD22 LEU D 46 21.115 -3.941 3.203 1.00 0.00 H new ATOM 0 HD23 LEU D 46 20.914 -3.710 1.449 1.00 0.00 H new ATOM 1965 N PHE D 47 18.752 -6.342 1.924 1.00 0.00 N ATOM 1966 CA PHE D 47 19.506 -7.587 1.934 1.00 0.00 C ATOM 1967 C PHE D 47 19.627 -8.155 0.528 1.00 0.00 C ATOM 1968 O PHE D 47 20.711 -8.559 0.106 1.00 0.00 O ATOM 1969 CB PHE D 47 18.822 -8.608 2.843 1.00 0.00 C ATOM 1970 CG PHE D 47 19.004 -8.203 4.287 1.00 0.00 C ATOM 1971 CD1 PHE D 47 20.247 -8.373 4.907 1.00 0.00 C ATOM 1972 CD2 PHE D 47 17.933 -7.655 5.005 1.00 0.00 C ATOM 1973 CE1 PHE D 47 20.419 -7.999 6.246 1.00 0.00 C ATOM 1974 CE2 PHE D 47 18.107 -7.282 6.343 1.00 0.00 C ATOM 1975 CZ PHE D 47 19.350 -7.453 6.963 1.00 0.00 C ATOM 0 H PHE D 47 17.891 -6.359 2.471 1.00 0.00 H new ATOM 0 HA PHE D 47 20.506 -7.377 2.314 1.00 0.00 H new ATOM 0 HB2 PHE D 47 17.761 -8.670 2.603 1.00 0.00 H new ATOM 0 HB3 PHE D 47 19.245 -9.599 2.677 1.00 0.00 H new ATOM 0 HD1 PHE D 47 21.074 -8.793 4.353 1.00 0.00 H new ATOM 0 HD2 PHE D 47 16.974 -7.520 4.527 1.00 0.00 H new ATOM 0 HE1 PHE D 47 21.378 -8.132 6.725 1.00 0.00 H new ATOM 0 HE2 PHE D 47 17.281 -6.862 6.898 1.00 0.00 H new ATOM 0 HZ PHE D 47 19.483 -7.163 7.995 1.00 0.00 H new ATOM 1985 N PHE D 48 18.510 -8.186 -0.195 1.00 0.00 N ATOM 1986 CA PHE D 48 18.500 -8.716 -1.561 1.00 0.00 C ATOM 1987 C PHE D 48 18.295 -7.590 -2.564 1.00 0.00 C ATOM 1988 O PHE D 48 17.265 -6.914 -2.554 1.00 0.00 O ATOM 1989 CB PHE D 48 17.374 -9.739 -1.706 1.00 0.00 C ATOM 1990 CG PHE D 48 17.322 -10.620 -0.473 1.00 0.00 C ATOM 1991 CD1 PHE D 48 18.492 -11.214 0.028 1.00 0.00 C ATOM 1992 CD2 PHE D 48 16.101 -10.830 0.182 1.00 0.00 C ATOM 1993 CE1 PHE D 48 18.432 -12.022 1.169 1.00 0.00 C ATOM 1994 CE2 PHE D 48 16.045 -11.637 1.324 1.00 0.00 C ATOM 1995 CZ PHE D 48 17.211 -12.229 1.818 1.00 0.00 C ATOM 0 H PHE D 48 17.605 -7.853 0.137 1.00 0.00 H new ATOM 0 HA PHE D 48 19.459 -9.195 -1.759 1.00 0.00 H new ATOM 0 HB2 PHE D 48 16.421 -9.228 -1.840 1.00 0.00 H new ATOM 0 HB3 PHE D 48 17.536 -10.349 -2.594 1.00 0.00 H new ATOM 0 HD1 PHE D 48 19.437 -11.047 -0.467 1.00 0.00 H new ATOM 0 HD2 PHE D 48 15.201 -10.368 -0.196 1.00 0.00 H new ATOM 0 HE1 PHE D 48 19.330 -12.486 1.549 1.00 0.00 H new ATOM 0 HE2 PHE D 48 15.102 -11.802 1.823 1.00 0.00 H new ATOM 0 HZ PHE D 48 17.169 -12.847 2.702 1.00 0.00 H new ATOM 2005 N LYS D 49 19.280 -7.397 -3.435 1.00 0.00 N ATOM 2006 CA LYS D 49 19.203 -6.351 -4.450 1.00 0.00 C ATOM 2007 C LYS D 49 19.965 -6.767 -5.700 1.00 0.00 C ATOM 2008 O LYS D 49 19.523 -6.417 -6.782 1.00 0.00 O ATOM 2009 CB LYS D 49 19.789 -5.055 -3.899 1.00 0.00 C ATOM 2010 CG LYS D 49 19.568 -3.924 -4.909 1.00 0.00 C ATOM 2011 CD LYS D 49 20.179 -2.621 -4.378 1.00 0.00 C ATOM 2012 CE LYS D 49 19.296 -2.022 -3.276 1.00 0.00 C ATOM 2013 NZ LYS D 49 19.731 -0.627 -3.001 1.00 0.00 N ATOM 2014 OXT LYS D 49 20.982 -7.427 -5.560 1.00 0.00 O ATOM 0 H LYS D 49 20.138 -7.948 -3.459 1.00 0.00 H new ATOM 0 HA LYS D 49 18.157 -6.194 -4.713 1.00 0.00 H new ATOM 0 HB2 LYS D 49 19.317 -4.805 -2.949 1.00 0.00 H new ATOM 0 HB3 LYS D 49 20.854 -5.179 -3.703 1.00 0.00 H new ATOM 0 HG2 LYS D 49 20.022 -4.185 -5.865 1.00 0.00 H new ATOM 0 HG3 LYS D 49 18.501 -3.789 -5.089 1.00 0.00 H new ATOM 0 HD2 LYS D 49 21.178 -2.814 -3.987 1.00 0.00 H new ATOM 0 HD3 LYS D 49 20.289 -1.906 -5.193 1.00 0.00 H new ATOM 0 HE2 LYS D 49 18.251 -2.035 -3.585 1.00 0.00 H new ATOM 0 HE3 LYS D 49 19.368 -2.623 -2.369 1.00 0.00 H new ATOM 0 HZ1 LYS D 49 19.134 -0.218 -2.254 1.00 0.00 H new ATOM 0 HZ2 LYS D 49 20.723 -0.628 -2.690 1.00 0.00 H new ATOM 0 HZ3 LYS D 49 19.640 -0.058 -3.867 1.00 0.00 H new TER 2028 LYS D 49 HETATM 2029 S 3LW C 100 -4.061 3.383 2.617 1.00 0.00 S HETATM 2030 BR 3LW C 100 -3.302 0.524 2.681 1.00 0.00 BR HETATM 2031 C1 3LW C 100 -3.255 2.310 2.038 1.00 0.00 C HETATM 2032 C2 3LW C 100 -2.494 2.732 1.021 1.00 0.00 C HETATM 2033 N2 3LW C 100 -5.523 5.842 2.135 1.00 0.00 N HETATM 2034 C3 3LW C 100 -2.714 4.033 0.847 1.00 0.00 C HETATM 2035 C5 3LW C 100 -4.091 5.864 1.838 1.00 0.00 C HETATM 2036 C10 3LW C 100 -6.312 7.069 1.866 1.00 0.00 C HETATM 2037 C12 3LW C 100 -3.609 4.467 1.738 1.00 0.00 C HETATM 2038 C61 3LW C 100 -6.291 7.460 0.354 1.00 0.00 C HETATM 2039 C62 3LW C 100 -5.787 8.296 2.681 1.00 0.00 C HETATM 2040 C63 3LW C 100 -7.802 6.872 2.257 1.00 0.00 C HETATM 2041 C71 3LW C 100 -7.120 8.736 0.093 1.00 0.00 C HETATM 2042 C72 3LW C 100 -6.624 9.559 2.399 1.00 0.00 C HETATM 2043 C73 3LW C 100 -8.632 8.152 1.981 1.00 0.00 C HETATM 2044 C81 3LW C 100 -6.548 9.901 0.907 1.00 0.00 C HETATM 2045 C82 3LW C 100 -8.078 9.318 2.803 1.00 0.00 C HETATM 2046 C83 3LW C 100 -8.577 8.498 0.490 1.00 0.00 C