USER MOD reduce.3.24.130724 H: found=0, std=0, add=1060, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1057 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 99 HIS HD1 : B 99 HIS ND1 : B 138 ZNZN :(H bumps) USER MOD NoAdj-H: B 102 HIS HD1 : B 102 HIS ND1 : B 138 ZNZN :(H bumps) USER MOD NoAdj-H: B 129 HIS HD1 : B 129 HIS ND1 : B 139 ZNZN :(H bumps) USER MOD Set 1.1: A 48 ASN : amide:sc= -26.7! C(o=-28!,f=-20!) USER MOD Set 1.2: A 52 GLN : amide:sc= -0.993 K(o=-28,f=-25) USER MOD Set 2.1: A 31 MET CE :methyl -154:sc= -1.18 (180deg=-3.29!) USER MOD Set 2.2: A 46 CYS SG : rot 18:sc= 0.592 USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ -172:sc= -0.374 (180deg=-0.474) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HE2:sc= -1.22 X(o=-1.2,f=-1.4) USER MOD Single : A 10 GLN : amide:sc=-0.00489 K(o=-0.0049,f=-1.7!) USER MOD Single : A 11 THR OG1 : rot -127:sc= 1.14! USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 170:sc= -2.45 USER MOD Single : A 19 THR OG1 : rot -160:sc= -1.12 USER MOD Single : A 24 ASN : amide:sc= -1.88 K(o=-1.9,f=-0.26) USER MOD Single : A 27 LYS NZ :NH3+ 161:sc= -0.0115 (180deg=-0.169) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -150:sc= -16.4! (180deg=-18.7!) USER MOD Single : A 39 ASN : amide:sc= -0.0372 K(o=-0.037,f=-2!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0.219 K(o=0.22,f=-8.8!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 177:sc= -6.69! USER MOD Single : A 71 HIS : no HD1:sc= -0.624 K(o=-0.62,f=-1.9!) USER MOD Single : B 73 SER OG : rot 180:sc= 0 USER MOD Single : B 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 92 ASN : amide:sc= -4.16! K(o=-4.2!,f=-0.35) USER MOD Single : B 94 MET CE :methyl -157:sc= -1.21 (180deg=-3.26!) USER MOD Single : B 96 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.117) USER MOD Single : B 97 GLN : amide:sc= -7.14! K(o=-7.1!,f=-1.8) USER MOD Single : B 107 LYS NZ :NH3+ -153:sc= -1.14 (180deg=-2.69!) USER MOD Single : B 110 LYS NZ :NH3+ 159:sc= -0.154 (180deg=-0.952) USER MOD Single : B 115 HIS : no HD1:sc= -1.78 K(o=-1.8,f=-0.59) USER MOD Single : B 117 HIS : no HD1:sc= -0.441 K(o=-0.44,f=-1.1) USER MOD Single : B 118 TYR OH : rot 0:sc= -0.738 USER MOD Single : B 121 LYS NZ :NH3+ -163:sc=-0.00362 (180deg=-0.223) USER MOD Single : B 125 TYR OH : rot 150:sc= 0 USER MOD Single : B 128 THR OG1 : rot 180:sc= 0 USER MOD Single : B 130 TYR OH : rot -91:sc= 0.738 USER MOD Single : B 131 ASN : amide:sc= -0.567 K(o=-0.57,f=-5.3!) USER MOD Single : B 132 GLN : amide:sc= -0.688 K(o=-0.69,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -11.060 -11.153 -27.603 1.00 0.00 N ATOM 2 CA GLN A 1 -9.892 -10.678 -28.398 1.00 0.00 C ATOM 3 C GLN A 1 -9.009 -9.785 -27.524 1.00 0.00 C ATOM 4 O GLN A 1 -8.066 -9.180 -27.992 1.00 0.00 O ATOM 5 CB GLN A 1 -10.385 -9.878 -29.606 1.00 0.00 C ATOM 6 CG GLN A 1 -11.311 -10.756 -30.453 1.00 0.00 C ATOM 7 CD GLN A 1 -11.560 -10.079 -31.802 1.00 0.00 C ATOM 8 OE1 GLN A 1 -11.064 -10.524 -32.819 1.00 0.00 O ATOM 9 NE2 GLN A 1 -12.313 -9.016 -31.857 1.00 0.00 N ATOM 0 H1 GLN A 1 -11.586 -11.865 -28.150 1.00 0.00 H new ATOM 0 H2 GLN A 1 -10.726 -11.577 -26.714 1.00 0.00 H new ATOM 0 H3 GLN A 1 -11.685 -10.349 -27.390 1.00 0.00 H new ATOM 0 HA GLN A 1 -9.316 -11.537 -28.742 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -10.915 -8.986 -29.273 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -9.538 -9.541 -30.204 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -10.862 -11.738 -30.604 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -12.256 -10.914 -29.933 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -12.730 -8.642 -31.005 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -12.485 -8.559 -32.752 1.00 0.00 H new ATOM 20 N GLY A 2 -9.309 -9.697 -26.256 1.00 0.00 N ATOM 21 CA GLY A 2 -8.487 -8.843 -25.354 1.00 0.00 C ATOM 22 C GLY A 2 -8.854 -9.133 -23.899 1.00 0.00 C ATOM 23 O GLY A 2 -9.526 -8.356 -23.251 1.00 0.00 O ATOM 0 H GLY A 2 -10.087 -10.180 -25.807 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -7.427 -9.038 -25.518 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -8.656 -7.790 -25.579 1.00 0.00 H new ATOM 27 N SER A 3 -8.420 -10.248 -23.378 1.00 0.00 N ATOM 28 CA SER A 3 -8.747 -10.585 -21.965 1.00 0.00 C ATOM 29 C SER A 3 -7.787 -11.665 -21.460 1.00 0.00 C ATOM 30 O SER A 3 -8.156 -12.523 -20.685 1.00 0.00 O ATOM 31 CB SER A 3 -10.182 -11.100 -21.882 1.00 0.00 C ATOM 32 OG SER A 3 -10.295 -12.301 -22.635 1.00 0.00 O ATOM 0 H SER A 3 -7.854 -10.939 -23.870 1.00 0.00 H new ATOM 0 HA SER A 3 -8.645 -9.692 -21.348 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.456 -11.282 -20.843 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.873 -10.350 -22.267 1.00 0.00 H new ATOM 0 HG SER A 3 -11.215 -12.635 -22.582 1.00 0.00 H new ATOM 38 N ARG A 4 -6.558 -11.626 -21.892 1.00 0.00 N ATOM 39 CA ARG A 4 -5.575 -12.649 -21.434 1.00 0.00 C ATOM 40 C ARG A 4 -5.196 -12.364 -19.980 1.00 0.00 C ATOM 41 O ARG A 4 -5.176 -11.229 -19.547 1.00 0.00 O ATOM 42 CB ARG A 4 -4.323 -12.587 -22.312 1.00 0.00 C ATOM 43 CG ARG A 4 -3.326 -13.659 -21.861 1.00 0.00 C ATOM 44 CD ARG A 4 -2.113 -13.669 -22.797 1.00 0.00 C ATOM 45 NE ARG A 4 -2.562 -13.666 -24.230 1.00 0.00 N ATOM 46 CZ ARG A 4 -3.354 -14.591 -24.705 1.00 0.00 C ATOM 47 NH1 ARG A 4 -3.645 -15.644 -23.995 1.00 0.00 N ATOM 48 NH2 ARG A 4 -3.816 -14.484 -25.923 1.00 0.00 N ATOM 0 H ARG A 4 -6.191 -10.931 -22.542 1.00 0.00 H new ATOM 0 HA ARG A 4 -6.017 -13.642 -21.510 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -4.591 -12.742 -23.357 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -3.867 -11.600 -22.243 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -3.005 -13.463 -20.838 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -3.806 -14.638 -21.862 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -1.488 -12.798 -22.603 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -1.502 -14.550 -22.602 1.00 0.00 H new ATOM 0 HE ARG A 4 -2.240 -12.922 -24.849 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -3.254 -15.752 -23.059 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -4.264 -16.360 -24.375 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -3.558 -13.682 -26.498 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -4.434 -15.203 -26.299 1.00 0.00 H new ATOM 62 N VAL A 5 -4.893 -13.380 -19.222 1.00 0.00 N ATOM 63 CA VAL A 5 -4.517 -13.152 -17.798 1.00 0.00 C ATOM 64 C VAL A 5 -3.194 -12.387 -17.743 1.00 0.00 C ATOM 65 O VAL A 5 -2.127 -12.968 -17.763 1.00 0.00 O ATOM 66 CB VAL A 5 -4.360 -14.502 -17.092 1.00 0.00 C ATOM 67 CG1 VAL A 5 -4.117 -14.272 -15.599 1.00 0.00 C ATOM 68 CG2 VAL A 5 -5.639 -15.322 -17.277 1.00 0.00 C ATOM 0 H VAL A 5 -4.889 -14.354 -19.524 1.00 0.00 H new ATOM 0 HA VAL A 5 -5.294 -12.572 -17.300 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.514 -15.040 -17.520 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -4.005 -15.233 -15.096 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.209 -13.684 -15.464 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.963 -13.735 -15.171 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -5.530 -16.284 -16.776 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -6.483 -14.782 -16.847 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -5.816 -15.485 -18.340 1.00 0.00 H new ATOM 78 N LEU A 6 -3.262 -11.081 -17.657 1.00 0.00 N ATOM 79 CA LEU A 6 -2.026 -10.240 -17.585 1.00 0.00 C ATOM 80 C LEU A 6 -2.077 -9.437 -16.291 1.00 0.00 C ATOM 81 O LEU A 6 -1.174 -9.474 -15.478 1.00 0.00 O ATOM 82 CB LEU A 6 -1.980 -9.281 -18.779 1.00 0.00 C ATOM 83 CG LEU A 6 -1.697 -10.062 -20.079 1.00 0.00 C ATOM 84 CD1 LEU A 6 -2.182 -9.248 -21.282 1.00 0.00 C ATOM 85 CD2 LEU A 6 -0.188 -10.320 -20.231 1.00 0.00 C ATOM 0 H LEU A 6 -4.135 -10.554 -17.633 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.139 -10.872 -17.608 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.928 -8.749 -18.865 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.206 -8.530 -18.622 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.224 -11.015 -20.033 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.982 -9.801 -22.200 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.254 -9.070 -21.192 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.657 -8.293 -21.311 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.004 -10.872 -21.153 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.342 -9.368 -20.266 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.169 -10.903 -19.382 1.00 0.00 H new ATOM 97 N HIS A 7 -3.147 -8.713 -16.097 1.00 0.00 N ATOM 98 CA HIS A 7 -3.299 -7.898 -14.862 1.00 0.00 C ATOM 99 C HIS A 7 -4.772 -7.883 -14.456 1.00 0.00 C ATOM 100 O HIS A 7 -5.454 -6.891 -14.607 1.00 0.00 O ATOM 101 CB HIS A 7 -2.828 -6.467 -15.131 1.00 0.00 C ATOM 102 CG HIS A 7 -1.399 -6.492 -15.604 1.00 0.00 C ATOM 103 ND1 HIS A 7 -0.342 -6.763 -14.750 1.00 0.00 N ATOM 104 CD2 HIS A 7 -0.839 -6.280 -16.840 1.00 0.00 C ATOM 105 CE1 HIS A 7 0.789 -6.707 -15.476 1.00 0.00 C ATOM 106 NE2 HIS A 7 0.544 -6.416 -16.757 1.00 0.00 N ATOM 0 H HIS A 7 -3.929 -8.653 -16.750 1.00 0.00 H new ATOM 0 HA HIS A 7 -2.699 -8.328 -14.060 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -3.463 -5.998 -15.883 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -2.912 -5.868 -14.224 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -0.409 -6.968 -13.753 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -1.388 -6.044 -17.740 1.00 0.00 H new ATOM 0 HE1 HIS A 7 1.776 -6.877 -15.072 1.00 0.00 H new ATOM 114 N VAL A 8 -5.268 -8.968 -13.929 1.00 0.00 N ATOM 115 CA VAL A 8 -6.693 -8.997 -13.503 1.00 0.00 C ATOM 116 C VAL A 8 -6.809 -8.083 -12.290 1.00 0.00 C ATOM 117 O VAL A 8 -5.816 -7.815 -11.644 1.00 0.00 O ATOM 118 CB VAL A 8 -7.082 -10.430 -13.123 1.00 0.00 C ATOM 119 CG1 VAL A 8 -8.599 -10.529 -12.992 1.00 0.00 C ATOM 120 CG2 VAL A 8 -6.607 -11.395 -14.214 1.00 0.00 C ATOM 0 H VAL A 8 -4.749 -9.833 -13.776 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.355 -8.664 -14.302 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.615 -10.691 -12.173 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -8.875 -11.548 -12.722 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -8.943 -9.843 -12.218 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -9.064 -10.267 -13.942 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.884 -12.414 -13.944 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.075 -11.131 -15.162 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.524 -11.327 -14.313 1.00 0.00 H new ATOM 130 N VAL A 9 -7.979 -7.572 -11.960 1.00 0.00 N ATOM 131 CA VAL A 9 -8.044 -6.655 -10.779 1.00 0.00 C ATOM 132 C VAL A 9 -9.360 -6.815 -10.015 1.00 0.00 C ATOM 133 O VAL A 9 -10.437 -6.790 -10.582 1.00 0.00 O ATOM 134 CB VAL A 9 -7.886 -5.194 -11.248 1.00 0.00 C ATOM 135 CG1 VAL A 9 -6.728 -5.083 -12.245 1.00 0.00 C ATOM 136 CG2 VAL A 9 -9.173 -4.730 -11.935 1.00 0.00 C ATOM 0 H VAL A 9 -8.861 -7.745 -12.442 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.230 -6.917 -10.103 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.681 -4.569 -10.379 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.625 -4.048 -12.570 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.804 -5.407 -11.767 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.930 -5.716 -13.109 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.057 -3.698 -12.265 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.375 -5.366 -12.797 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.004 -4.796 -11.233 1.00 0.00 H new ATOM 146 N GLN A 10 -9.265 -6.953 -8.720 1.00 0.00 N ATOM 147 CA GLN A 10 -10.477 -7.090 -7.865 1.00 0.00 C ATOM 148 C GLN A 10 -10.792 -5.737 -7.221 1.00 0.00 C ATOM 149 O GLN A 10 -9.938 -5.102 -6.632 1.00 0.00 O ATOM 150 CB GLN A 10 -10.217 -8.125 -6.768 1.00 0.00 C ATOM 151 CG GLN A 10 -11.467 -8.285 -5.901 1.00 0.00 C ATOM 152 CD GLN A 10 -11.257 -9.432 -4.910 1.00 0.00 C ATOM 153 OE1 GLN A 10 -10.383 -10.257 -5.096 1.00 0.00 O ATOM 154 NE2 GLN A 10 -12.025 -9.522 -3.860 1.00 0.00 N ATOM 0 H GLN A 10 -8.382 -6.977 -8.210 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.320 -7.414 -8.475 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -9.948 -9.082 -7.215 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -9.374 -7.812 -6.152 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -11.671 -7.359 -5.364 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -12.335 -8.487 -6.529 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -12.758 -8.830 -3.704 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -11.893 -10.284 -3.195 1.00 0.00 H new ATOM 163 N THR A 11 -12.012 -5.295 -7.333 1.00 0.00 N ATOM 164 CA THR A 11 -12.402 -3.985 -6.738 1.00 0.00 C ATOM 165 C THR A 11 -12.260 -4.021 -5.230 1.00 0.00 C ATOM 166 O THR A 11 -12.343 -5.051 -4.592 1.00 0.00 O ATOM 167 CB THR A 11 -13.851 -3.695 -7.085 1.00 0.00 C ATOM 168 OG1 THR A 11 -14.025 -3.800 -8.488 1.00 0.00 O ATOM 169 CG2 THR A 11 -14.255 -2.291 -6.609 1.00 0.00 C ATOM 0 H THR A 11 -12.763 -5.789 -7.815 1.00 0.00 H new ATOM 0 HA THR A 11 -11.749 -3.210 -7.139 1.00 0.00 H new ATOM 0 HB THR A 11 -14.488 -4.421 -6.580 1.00 0.00 H new ATOM 0 HG1 THR A 11 -14.439 -2.980 -8.829 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.297 -2.105 -6.868 1.00 0.00 H new ATOM 0 HG22 THR A 11 -14.132 -2.224 -5.528 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.622 -1.547 -7.093 1.00 0.00 H new ATOM 177 N LEU A 12 -12.063 -2.873 -4.672 1.00 5.40 N ATOM 178 CA LEU A 12 -11.921 -2.727 -3.194 1.00 9.02 C ATOM 179 C LEU A 12 -13.120 -1.916 -2.703 1.00 10.54 C ATOM 180 O LEU A 12 -13.431 -1.900 -1.528 1.00 10.21 O ATOM 181 CB LEU A 12 -10.624 -1.944 -2.858 1.00 7.97 C ATOM 182 CG LEU A 12 -9.286 -2.691 -3.226 1.00 7.96 C ATOM 183 CD1 LEU A 12 -8.099 -1.752 -3.002 1.00 6.40 C ATOM 184 CD2 LEU A 12 -9.026 -3.961 -2.397 1.00 6.66 C ATOM 0 H LEU A 12 -11.991 -1.996 -5.188 1.00 5.40 H new ATOM 0 HA LEU A 12 -11.875 -3.708 -2.720 1.00 9.02 H new ATOM 0 HB2 LEU A 12 -10.647 -0.989 -3.383 1.00 7.97 H new ATOM 0 HB3 LEU A 12 -10.617 -1.721 -1.791 1.00 7.97 H new ATOM 0 HG LEU A 12 -9.395 -2.989 -4.269 1.00 7.96 H new ATOM 0 HD11 LEU A 12 -7.173 -2.268 -3.256 1.00 6.40 H new ATOM 0 HD12 LEU A 12 -8.208 -0.870 -3.634 1.00 6.40 H new ATOM 0 HD13 LEU A 12 -8.069 -1.447 -1.956 1.00 6.40 H new ATOM 0 HD21 LEU A 12 -8.086 -4.415 -2.712 1.00 6.66 H new ATOM 0 HD22 LEU A 12 -8.967 -3.700 -1.340 1.00 6.66 H new ATOM 0 HD23 LEU A 12 -9.840 -4.669 -2.551 1.00 6.66 H new ATOM 196 N TYR A 13 -13.799 -1.234 -3.593 1.00 12.19 N ATOM 197 CA TYR A 13 -14.981 -0.417 -3.156 1.00 12.32 C ATOM 198 C TYR A 13 -16.040 -0.335 -4.285 1.00 14.17 C ATOM 199 O TYR A 13 -15.673 -0.263 -5.441 1.00 14.79 O ATOM 200 CB TYR A 13 -14.508 1.000 -2.817 1.00 14.83 C ATOM 201 CG TYR A 13 -13.224 0.929 -2.023 1.00 15.75 C ATOM 202 CD1 TYR A 13 -13.260 0.619 -0.659 1.00 18.39 C ATOM 203 CD2 TYR A 13 -11.997 1.176 -2.651 1.00 10.85 C ATOM 204 CE1 TYR A 13 -12.071 0.555 0.078 1.00 12.56 C ATOM 205 CE2 TYR A 13 -10.808 1.113 -1.915 1.00 10.94 C ATOM 206 CZ TYR A 13 -10.846 0.802 -0.550 1.00 12.35 C ATOM 207 OH TYR A 13 -9.673 0.740 0.175 1.00 12.20 O ATOM 0 H TYR A 13 -13.592 -1.205 -4.591 1.00 12.19 H new ATOM 0 HA TYR A 13 -15.432 -0.891 -2.284 1.00 12.32 H new ATOM 0 HB2 TYR A 13 -14.350 1.570 -3.732 1.00 14.83 H new ATOM 0 HB3 TYR A 13 -15.274 1.523 -2.244 1.00 14.83 H new ATOM 0 HD1 TYR A 13 -14.206 0.429 -0.174 1.00 18.39 H new ATOM 0 HD2 TYR A 13 -11.968 1.415 -3.704 1.00 10.85 H new ATOM 0 HE1 TYR A 13 -12.100 0.315 1.131 1.00 12.56 H new ATOM 0 HE2 TYR A 13 -9.862 1.304 -2.399 1.00 10.94 H new ATOM 0 HH TYR A 13 -8.914 0.937 -0.413 1.00 12.20 H new ATOM 217 N PRO A 14 -17.329 -0.317 -3.938 1.00 0.00 N ATOM 218 CA PRO A 14 -18.403 -0.204 -4.956 1.00 0.00 C ATOM 219 C PRO A 14 -18.425 1.231 -5.504 1.00 0.00 C ATOM 220 O PRO A 14 -19.208 2.056 -5.074 1.00 0.00 O ATOM 221 CB PRO A 14 -19.703 -0.507 -4.181 1.00 0.00 C ATOM 222 CG PRO A 14 -19.371 -0.363 -2.671 1.00 0.00 C ATOM 223 CD PRO A 14 -17.831 -0.409 -2.540 1.00 0.00 C ATOM 0 HA PRO A 14 -18.268 -0.878 -5.802 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -20.495 0.184 -4.470 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -20.060 -1.512 -4.404 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -19.764 0.575 -2.278 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -19.831 -1.167 -2.097 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -17.461 0.416 -1.931 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -17.502 -1.331 -2.061 1.00 0.00 H new ATOM 231 N PHE A 15 -17.567 1.542 -6.430 1.00 0.00 N ATOM 232 CA PHE A 15 -17.538 2.930 -6.978 1.00 0.00 C ATOM 233 C PHE A 15 -18.756 3.196 -7.856 1.00 0.00 C ATOM 234 O PHE A 15 -19.507 2.304 -8.193 1.00 0.00 O ATOM 235 CB PHE A 15 -16.281 3.126 -7.822 1.00 0.00 C ATOM 236 CG PHE A 15 -16.102 4.594 -8.183 1.00 0.00 C ATOM 237 CD1 PHE A 15 -16.019 5.578 -7.182 1.00 0.00 C ATOM 238 CD2 PHE A 15 -16.014 4.974 -9.534 1.00 0.00 C ATOM 239 CE1 PHE A 15 -15.849 6.922 -7.529 1.00 0.00 C ATOM 240 CE2 PHE A 15 -15.842 6.321 -9.875 1.00 0.00 C ATOM 241 CZ PHE A 15 -15.762 7.293 -8.875 1.00 0.00 C ATOM 0 H PHE A 15 -16.885 0.900 -6.833 1.00 0.00 H new ATOM 0 HA PHE A 15 -17.544 3.623 -6.137 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -15.409 2.772 -7.273 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -16.350 2.528 -8.731 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -16.087 5.295 -6.142 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -16.079 4.226 -10.310 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -15.785 7.674 -6.757 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -15.771 6.609 -10.913 1.00 0.00 H new ATOM 0 HZ PHE A 15 -15.633 8.332 -9.141 1.00 0.00 H new ATOM 251 N SER A 16 -18.945 4.435 -8.234 1.00 0.00 N ATOM 252 CA SER A 16 -20.102 4.801 -9.104 1.00 0.00 C ATOM 253 C SER A 16 -19.641 5.783 -10.177 1.00 0.00 C ATOM 254 O SER A 16 -19.306 6.918 -9.903 1.00 0.00 O ATOM 255 CB SER A 16 -21.200 5.444 -8.256 1.00 0.00 C ATOM 256 OG SER A 16 -21.776 4.459 -7.408 1.00 0.00 O ATOM 0 H SER A 16 -18.341 5.215 -7.974 1.00 0.00 H new ATOM 0 HA SER A 16 -20.496 3.903 -9.580 1.00 0.00 H new ATOM 0 HB2 SER A 16 -20.786 6.257 -7.659 1.00 0.00 H new ATOM 0 HB3 SER A 16 -21.965 5.879 -8.900 1.00 0.00 H new ATOM 0 HG SER A 16 -22.479 4.868 -6.862 1.00 0.00 H new ATOM 262 N SER A 17 -19.620 5.337 -11.402 1.00 0.00 N ATOM 263 CA SER A 17 -19.186 6.201 -12.533 1.00 0.00 C ATOM 264 C SER A 17 -20.189 6.035 -13.675 1.00 0.00 C ATOM 265 O SER A 17 -20.274 4.986 -14.280 1.00 0.00 O ATOM 266 CB SER A 17 -17.778 5.762 -12.960 1.00 0.00 C ATOM 267 OG SER A 17 -17.036 6.902 -13.360 1.00 0.00 O ATOM 0 H SER A 17 -19.891 4.391 -11.671 1.00 0.00 H new ATOM 0 HA SER A 17 -19.153 7.252 -12.247 1.00 0.00 H new ATOM 0 HB2 SER A 17 -17.275 5.257 -12.135 1.00 0.00 H new ATOM 0 HB3 SER A 17 -17.840 5.047 -13.781 1.00 0.00 H new ATOM 0 HG SER A 17 -16.095 6.655 -13.479 1.00 0.00 H new ATOM 273 N VAL A 18 -20.948 7.063 -13.977 1.00 0.00 N ATOM 274 CA VAL A 18 -21.948 6.965 -15.067 1.00 0.00 C ATOM 275 C VAL A 18 -21.788 8.157 -15.999 1.00 0.00 C ATOM 276 O VAL A 18 -22.353 9.216 -15.818 1.00 0.00 O ATOM 277 CB VAL A 18 -23.359 6.968 -14.459 1.00 0.00 C ATOM 278 CG1 VAL A 18 -23.601 5.656 -13.709 1.00 0.00 C ATOM 279 CG2 VAL A 18 -23.489 8.140 -13.479 1.00 0.00 C ATOM 0 H VAL A 18 -20.911 7.968 -13.507 1.00 0.00 H new ATOM 0 HA VAL A 18 -21.798 6.043 -15.628 1.00 0.00 H new ATOM 0 HB VAL A 18 -24.094 7.071 -15.257 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -24.603 5.662 -13.279 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -23.508 4.819 -14.401 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -22.865 5.551 -12.912 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -24.490 8.144 -13.047 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -22.751 8.033 -12.684 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -23.319 9.078 -14.008 1.00 0.00 H new ATOM 289 N THR A 19 -21.038 7.937 -17.016 1.00 38.32 N ATOM 290 CA THR A 19 -20.797 8.971 -18.066 1.00 37.06 C ATOM 291 C THR A 19 -20.695 8.254 -19.401 1.00 36.60 C ATOM 292 O THR A 19 -21.236 7.183 -19.595 1.00 36.42 O ATOM 293 CB THR A 19 -19.485 9.740 -17.792 1.00 37.05 C ATOM 294 OG1 THR A 19 -19.287 9.850 -16.390 1.00 37.96 O ATOM 295 CG2 THR A 19 -19.559 11.147 -18.400 1.00 37.86 C ATOM 0 H THR A 19 -20.557 7.053 -17.183 1.00 38.32 H new ATOM 0 HA THR A 19 -21.614 9.693 -18.068 1.00 37.06 H new ATOM 0 HB THR A 19 -18.656 9.196 -18.245 1.00 37.05 H new ATOM 0 HG1 THR A 19 -18.661 10.581 -16.204 1.00 37.96 H new ATOM 0 HG21 THR A 19 -18.629 11.679 -18.200 1.00 37.86 H new ATOM 0 HG22 THR A 19 -19.709 11.071 -19.477 1.00 37.86 H new ATOM 0 HG23 THR A 19 -20.391 11.692 -17.955 1.00 37.86 H new ATOM 303 N GLU A 20 -19.972 8.824 -20.302 1.00 36.33 N ATOM 304 CA GLU A 20 -19.772 8.217 -21.594 1.00 36.39 C ATOM 305 C GLU A 20 -18.642 7.188 -21.433 1.00 30.94 C ATOM 306 O GLU A 20 -18.782 6.036 -21.794 1.00 31.73 O ATOM 307 CB GLU A 20 -19.435 9.376 -22.539 1.00 41.00 C ATOM 308 CG GLU A 20 -20.640 10.235 -22.695 1.00 49.07 C ATOM 309 CD GLU A 20 -20.319 11.450 -23.567 1.00 52.00 C ATOM 310 OE1 GLU A 20 -19.203 11.524 -24.054 1.00 54.38 O ATOM 311 OE2 GLU A 20 -21.194 12.281 -23.733 1.00 55.13 O ATOM 0 H GLU A 20 -19.500 9.720 -20.176 1.00 36.33 H new ATOM 0 HA GLU A 20 -20.631 7.683 -21.999 1.00 36.39 H new ATOM 0 HB2 GLU A 20 -18.605 9.959 -22.140 1.00 41.00 H new ATOM 0 HB3 GLU A 20 -19.117 8.992 -23.508 1.00 41.00 H new ATOM 0 HG2 GLU A 20 -21.449 9.660 -23.145 1.00 49.07 H new ATOM 0 HG3 GLU A 20 -20.989 10.564 -21.716 1.00 49.07 H new ATOM 318 N GLU A 21 -17.511 7.611 -20.926 1.00 0.00 N ATOM 319 CA GLU A 21 -16.352 6.717 -20.767 1.00 0.00 C ATOM 320 C GLU A 21 -16.101 6.407 -19.275 1.00 0.00 C ATOM 321 O GLU A 21 -14.978 6.174 -18.868 1.00 0.00 O ATOM 322 CB GLU A 21 -15.175 7.488 -21.367 1.00 0.00 C ATOM 323 CG GLU A 21 -15.389 7.642 -22.862 1.00 0.00 C ATOM 324 CD GLU A 21 -14.268 8.489 -23.471 1.00 0.00 C ATOM 325 OE1 GLU A 21 -13.397 8.906 -22.727 1.00 0.00 O ATOM 326 OE2 GLU A 21 -14.304 8.708 -24.670 1.00 0.00 O ATOM 0 H GLU A 21 -17.351 8.568 -20.611 1.00 0.00 H new ATOM 0 HA GLU A 21 -16.505 5.756 -21.259 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -15.089 8.468 -20.897 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -14.242 6.959 -21.174 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -15.413 6.661 -23.337 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -16.354 8.111 -23.052 1.00 0.00 H new ATOM 333 N GLU A 22 -17.126 6.411 -18.455 1.00 0.00 N ATOM 334 CA GLU A 22 -16.930 6.131 -16.990 1.00 0.00 C ATOM 335 C GLU A 22 -17.322 4.668 -16.683 1.00 0.00 C ATOM 336 O GLU A 22 -18.142 4.081 -17.360 1.00 0.00 O ATOM 337 CB GLU A 22 -17.806 7.120 -16.190 1.00 0.00 C ATOM 338 CG GLU A 22 -16.968 8.321 -15.704 1.00 0.00 C ATOM 339 CD GLU A 22 -16.428 9.092 -16.908 1.00 0.00 C ATOM 340 OE1 GLU A 22 -16.543 8.585 -18.013 1.00 0.00 O ATOM 341 OE2 GLU A 22 -15.905 10.177 -16.709 1.00 0.00 O ATOM 0 H GLU A 22 -18.090 6.595 -18.734 1.00 0.00 H new ATOM 0 HA GLU A 22 -15.886 6.263 -16.708 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -18.628 7.472 -16.814 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -18.250 6.610 -15.335 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -17.580 8.977 -15.084 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -16.143 7.973 -15.082 1.00 0.00 H new ATOM 348 N LEU A 23 -16.705 4.072 -15.677 1.00 11.68 N ATOM 349 CA LEU A 23 -16.994 2.632 -15.325 1.00 7.71 C ATOM 350 C LEU A 23 -17.723 2.537 -13.976 1.00 8.71 C ATOM 351 O LEU A 23 -17.141 2.775 -12.937 1.00 10.83 O ATOM 352 CB LEU A 23 -15.648 1.875 -15.203 1.00 7.16 C ATOM 353 CG LEU A 23 -15.811 0.331 -15.275 1.00 8.46 C ATOM 354 CD1 LEU A 23 -17.100 -0.149 -14.601 1.00 6.77 C ATOM 355 CD2 LEU A 23 -15.809 -0.138 -16.724 1.00 2.00 C ATOM 0 H LEU A 23 -16.010 4.524 -15.082 1.00 11.68 H new ATOM 0 HA LEU A 23 -17.623 2.199 -16.103 1.00 7.71 H new ATOM 0 HB2 LEU A 23 -14.980 2.202 -16.000 1.00 7.16 H new ATOM 0 HB3 LEU A 23 -15.172 2.141 -14.259 1.00 7.16 H new ATOM 0 HG LEU A 23 -14.964 -0.098 -14.739 1.00 8.46 H new ATOM 0 HD11 LEU A 23 -17.168 -1.234 -14.678 1.00 6.77 H new ATOM 0 HD12 LEU A 23 -17.091 0.141 -13.550 1.00 6.77 H new ATOM 0 HD13 LEU A 23 -17.959 0.304 -15.095 1.00 6.77 H new ATOM 0 HD21 LEU A 23 -15.924 -1.221 -16.756 1.00 2.00 H new ATOM 0 HD22 LEU A 23 -16.635 0.331 -17.259 1.00 2.00 H new ATOM 0 HD23 LEU A 23 -14.867 0.141 -17.195 1.00 2.00 H new ATOM 367 N ASN A 24 -18.972 2.148 -13.972 1.00 0.00 N ATOM 368 CA ASN A 24 -19.702 1.983 -12.675 1.00 0.00 C ATOM 369 C ASN A 24 -19.593 0.506 -12.303 1.00 0.00 C ATOM 370 O ASN A 24 -19.883 -0.352 -13.114 1.00 0.00 O ATOM 371 CB ASN A 24 -21.182 2.361 -12.850 1.00 0.00 C ATOM 372 CG ASN A 24 -22.001 1.849 -11.661 1.00 0.00 C ATOM 373 OD1 ASN A 24 -23.123 1.414 -11.823 1.00 0.00 O ATOM 374 ND2 ASN A 24 -21.482 1.882 -10.464 1.00 0.00 N ATOM 0 H ASN A 24 -19.518 1.938 -14.807 1.00 0.00 H new ATOM 0 HA ASN A 24 -19.278 2.624 -11.902 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -21.282 3.443 -12.931 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -21.567 1.935 -13.777 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -22.019 1.543 -9.666 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -20.540 2.247 -10.327 1.00 0.00 H new ATOM 381 N PHE A 25 -19.152 0.174 -11.115 1.00 6.72 N ATOM 382 CA PHE A 25 -19.021 -1.271 -10.789 1.00 6.82 C ATOM 383 C PHE A 25 -19.159 -1.504 -9.295 1.00 7.56 C ATOM 384 O PHE A 25 -18.695 -0.732 -8.479 1.00 6.07 O ATOM 385 CB PHE A 25 -17.670 -1.799 -11.296 1.00 9.59 C ATOM 386 CG PHE A 25 -16.484 -1.006 -10.735 1.00 9.18 C ATOM 387 CD1 PHE A 25 -16.342 0.375 -10.971 1.00 5.54 C ATOM 388 CD2 PHE A 25 -15.492 -1.678 -10.012 1.00 11.29 C ATOM 389 CE1 PHE A 25 -15.225 1.062 -10.480 1.00 5.32 C ATOM 390 CE2 PHE A 25 -14.376 -0.988 -9.528 1.00 11.14 C ATOM 391 CZ PHE A 25 -14.244 0.380 -9.757 1.00 12.44 C ATOM 0 H PHE A 25 -18.884 0.825 -10.377 1.00 6.72 H new ATOM 0 HA PHE A 25 -19.823 -1.815 -11.287 1.00 6.82 H new ATOM 0 HB2 PHE A 25 -17.566 -2.848 -11.019 1.00 9.59 H new ATOM 0 HB3 PHE A 25 -17.651 -1.754 -12.385 1.00 9.59 H new ATOM 0 HD1 PHE A 25 -17.097 0.906 -11.532 1.00 5.54 H new ATOM 0 HD2 PHE A 25 -15.589 -2.738 -9.826 1.00 11.29 H new ATOM 0 HE1 PHE A 25 -15.122 2.122 -10.661 1.00 5.32 H new ATOM 0 HE2 PHE A 25 -13.614 -1.517 -8.975 1.00 11.14 H new ATOM 0 HZ PHE A 25 -13.385 0.912 -9.376 1.00 12.44 H new ATOM 401 N GLU A 26 -19.801 -2.582 -8.936 1.00 0.00 N ATOM 402 CA GLU A 26 -19.985 -2.901 -7.502 1.00 0.00 C ATOM 403 C GLU A 26 -18.736 -3.620 -7.011 1.00 0.00 C ATOM 404 O GLU A 26 -18.007 -4.213 -7.781 1.00 0.00 O ATOM 405 CB GLU A 26 -21.228 -3.792 -7.320 1.00 0.00 C ATOM 406 CG GLU A 26 -20.946 -5.226 -7.798 1.00 0.00 C ATOM 407 CD GLU A 26 -20.324 -5.194 -9.195 1.00 0.00 C ATOM 408 OE1 GLU A 26 -20.844 -4.481 -10.038 1.00 0.00 O ATOM 409 OE2 GLU A 26 -19.336 -5.881 -9.398 1.00 0.00 O ATOM 0 H GLU A 26 -20.207 -3.257 -9.584 1.00 0.00 H new ATOM 0 HA GLU A 26 -20.135 -1.988 -6.925 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -21.521 -3.805 -6.270 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -22.065 -3.375 -7.880 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -20.272 -5.725 -7.101 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -21.871 -5.802 -7.815 1.00 0.00 H new ATOM 416 N LYS A 27 -18.474 -3.564 -5.747 1.00 8.66 N ATOM 417 CA LYS A 27 -17.269 -4.234 -5.226 1.00 8.68 C ATOM 418 C LYS A 27 -17.288 -5.708 -5.629 1.00 6.65 C ATOM 419 O LYS A 27 -18.333 -6.318 -5.742 1.00 10.38 O ATOM 420 CB LYS A 27 -17.246 -4.069 -3.709 1.00 12.96 C ATOM 421 CG LYS A 27 -18.303 -4.979 -3.037 1.00 12.48 C ATOM 422 CD LYS A 27 -17.652 -6.277 -2.527 1.00 20.52 C ATOM 423 CE LYS A 27 -17.025 -6.041 -1.148 1.00 28.24 C ATOM 424 NZ LYS A 27 -18.101 -5.998 -0.116 1.00 29.03 N ATOM 0 H LYS A 27 -19.043 -3.082 -5.051 1.00 8.66 H new ATOM 0 HA LYS A 27 -16.366 -3.789 -5.644 1.00 8.68 H new ATOM 0 HB2 LYS A 27 -16.255 -4.314 -3.328 1.00 12.96 H new ATOM 0 HB3 LYS A 27 -17.439 -3.028 -3.450 1.00 12.96 H new ATOM 0 HG2 LYS A 27 -18.772 -4.450 -2.207 1.00 12.48 H new ATOM 0 HG3 LYS A 27 -19.092 -5.217 -3.750 1.00 12.48 H new ATOM 0 HD2 LYS A 27 -18.399 -7.069 -2.466 1.00 20.52 H new ATOM 0 HD3 LYS A 27 -16.889 -6.612 -3.230 1.00 20.52 H new ATOM 0 HE2 LYS A 27 -16.316 -6.836 -0.918 1.00 28.24 H new ATOM 0 HE3 LYS A 27 -16.466 -5.105 -1.146 1.00 28.24 H new ATOM 0 HZ1 LYS A 27 -17.687 -6.161 0.824 1.00 29.03 H new ATOM 0 HZ2 LYS A 27 -18.562 -5.066 -0.134 1.00 29.03 H new ATOM 0 HZ3 LYS A 27 -18.805 -6.737 -0.317 1.00 29.03 H new ATOM 438 N GLY A 28 -16.139 -6.281 -5.865 1.00 5.06 N ATOM 439 CA GLY A 28 -16.088 -7.712 -6.283 1.00 4.39 C ATOM 440 C GLY A 28 -16.290 -7.802 -7.798 1.00 6.18 C ATOM 441 O GLY A 28 -17.031 -8.636 -8.278 1.00 5.61 O ATOM 0 H GLY A 28 -15.233 -5.820 -5.786 1.00 5.06 H new ATOM 0 HA2 GLY A 28 -15.129 -8.150 -6.005 1.00 4.39 H new ATOM 0 HA3 GLY A 28 -16.861 -8.282 -5.767 1.00 4.39 H new ATOM 445 N GLU A 29 -15.640 -6.946 -8.550 1.00 7.06 N ATOM 446 CA GLU A 29 -15.788 -6.965 -10.044 1.00 6.19 C ATOM 447 C GLU A 29 -14.425 -7.234 -10.688 1.00 6.67 C ATOM 448 O GLU A 29 -13.522 -6.426 -10.610 1.00 8.12 O ATOM 449 CB GLU A 29 -16.291 -5.584 -10.513 1.00 6.64 C ATOM 450 CG GLU A 29 -16.867 -5.600 -11.963 1.00 9.52 C ATOM 451 CD GLU A 29 -16.487 -6.875 -12.729 1.00 8.21 C ATOM 452 OE1 GLU A 29 -17.181 -7.867 -12.574 1.00 6.83 O ATOM 453 OE2 GLU A 29 -15.514 -6.835 -13.460 1.00 8.99 O ATOM 0 H GLU A 29 -15.009 -6.229 -8.192 1.00 7.06 H new ATOM 0 HA GLU A 29 -16.493 -7.744 -10.332 1.00 6.19 H new ATOM 0 HB2 GLU A 29 -17.062 -5.233 -9.827 1.00 6.64 H new ATOM 0 HB3 GLU A 29 -15.470 -4.869 -10.463 1.00 6.64 H new ATOM 0 HG2 GLU A 29 -17.953 -5.515 -11.921 1.00 9.52 H new ATOM 0 HG3 GLU A 29 -16.500 -4.730 -12.507 1.00 9.52 H new ATOM 460 N THR A 30 -14.279 -8.343 -11.348 1.00 0.00 N ATOM 461 CA THR A 30 -12.986 -8.641 -12.025 1.00 0.00 C ATOM 462 C THR A 30 -12.894 -7.741 -13.242 1.00 0.00 C ATOM 463 O THR A 30 -13.605 -7.948 -14.204 1.00 0.00 O ATOM 464 CB THR A 30 -13.009 -10.088 -12.518 1.00 0.00 C ATOM 465 OG1 THR A 30 -13.557 -10.926 -11.509 1.00 0.00 O ATOM 466 CG2 THR A 30 -11.591 -10.539 -12.851 1.00 0.00 C ATOM 0 H THR A 30 -14.998 -9.059 -11.450 1.00 0.00 H new ATOM 0 HA THR A 30 -12.150 -8.486 -11.343 1.00 0.00 H new ATOM 0 HB THR A 30 -13.625 -10.155 -13.415 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.573 -11.853 -11.827 1.00 0.00 H new ATOM 0 HG21 THR A 30 -11.610 -11.571 -13.202 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.179 -9.898 -13.630 1.00 0.00 H new ATOM 0 HG23 THR A 30 -10.969 -10.471 -11.959 1.00 0.00 H new ATOM 474 N MET A 31 -12.043 -6.752 -13.234 1.00 0.00 N ATOM 475 CA MET A 31 -11.956 -5.869 -14.432 1.00 0.00 C ATOM 476 C MET A 31 -10.699 -6.168 -15.222 1.00 0.00 C ATOM 477 O MET A 31 -9.611 -6.322 -14.706 1.00 0.00 O ATOM 478 CB MET A 31 -12.044 -4.394 -14.017 1.00 0.00 C ATOM 479 CG MET A 31 -13.505 -4.069 -13.588 1.00 0.00 C ATOM 480 SD MET A 31 -13.519 -3.394 -11.905 1.00 0.00 S ATOM 481 CE MET A 31 -12.998 -1.717 -12.342 1.00 0.00 C ATOM 0 H MET A 31 -11.415 -6.519 -12.465 1.00 0.00 H new ATOM 0 HA MET A 31 -12.803 -6.072 -15.087 1.00 0.00 H new ATOM 0 HB2 MET A 31 -11.358 -4.194 -13.194 1.00 0.00 H new ATOM 0 HB3 MET A 31 -11.744 -3.752 -14.845 1.00 0.00 H new ATOM 0 HG2 MET A 31 -13.945 -3.352 -14.280 1.00 0.00 H new ATOM 0 HG3 MET A 31 -14.115 -4.971 -13.632 1.00 0.00 H new ATOM 0 HE1 MET A 31 -12.501 -1.256 -11.488 1.00 0.00 H new ATOM 0 HE2 MET A 31 -12.308 -1.758 -13.185 1.00 0.00 H new ATOM 0 HE3 MET A 31 -13.871 -1.125 -12.617 1.00 0.00 H new ATOM 491 N GLU A 32 -10.896 -6.274 -16.493 1.00 0.00 N ATOM 492 CA GLU A 32 -9.817 -6.592 -17.444 1.00 0.00 C ATOM 493 C GLU A 32 -9.219 -5.266 -17.916 1.00 0.00 C ATOM 494 O GLU A 32 -9.805 -4.549 -18.701 1.00 0.00 O ATOM 495 CB GLU A 32 -10.443 -7.395 -18.613 1.00 0.00 C ATOM 496 CG GLU A 32 -11.993 -7.355 -18.519 1.00 0.00 C ATOM 497 CD GLU A 32 -12.590 -7.915 -19.808 1.00 0.00 C ATOM 498 OE1 GLU A 32 -11.864 -8.004 -20.783 1.00 0.00 O ATOM 499 OE2 GLU A 32 -13.765 -8.246 -19.799 1.00 0.00 O ATOM 0 H GLU A 32 -11.808 -6.146 -16.932 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.024 -7.193 -17.000 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.118 -6.978 -19.566 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.096 -8.428 -18.582 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.332 -7.939 -17.663 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.333 -6.332 -18.361 1.00 0.00 H new ATOM 506 N VAL A 33 -8.077 -4.916 -17.396 1.00 0.00 N ATOM 507 CA VAL A 33 -7.463 -3.613 -17.763 1.00 0.00 C ATOM 508 C VAL A 33 -7.117 -3.552 -19.258 1.00 0.00 C ATOM 509 O VAL A 33 -6.040 -3.939 -19.665 1.00 0.00 O ATOM 510 CB VAL A 33 -6.186 -3.405 -16.938 1.00 0.00 C ATOM 511 CG1 VAL A 33 -5.832 -1.915 -16.905 1.00 0.00 C ATOM 512 CG2 VAL A 33 -6.419 -3.899 -15.507 1.00 0.00 C ATOM 0 H VAL A 33 -7.543 -5.477 -16.732 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.186 -2.826 -17.551 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.368 -3.964 -17.392 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.925 -1.769 -16.319 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.668 -1.557 -17.922 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.651 -1.356 -16.451 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.513 -3.752 -14.919 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.238 -3.338 -15.057 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.672 -4.959 -15.525 1.00 0.00 H new ATOM 522 N ILE A 34 -8.010 -3.053 -20.077 1.00 0.00 N ATOM 523 CA ILE A 34 -7.693 -2.960 -21.542 1.00 0.00 C ATOM 524 C ILE A 34 -6.450 -2.078 -21.761 1.00 0.00 C ATOM 525 O ILE A 34 -5.540 -2.448 -22.477 1.00 0.00 O ATOM 526 CB ILE A 34 -8.859 -2.326 -22.323 1.00 0.00 C ATOM 527 CG1 ILE A 34 -10.070 -3.274 -22.329 1.00 0.00 C ATOM 528 CG2 ILE A 34 -8.408 -2.058 -23.775 1.00 0.00 C ATOM 529 CD1 ILE A 34 -11.282 -2.590 -22.988 1.00 0.00 C ATOM 0 H ILE A 34 -8.931 -2.710 -19.804 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.516 -3.974 -21.900 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.146 -1.390 -21.844 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.822 -4.188 -22.869 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.318 -3.564 -21.308 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.229 -1.609 -24.334 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.556 -1.378 -23.772 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.120 -2.998 -24.246 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -12.131 -3.273 -22.985 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -11.539 -1.689 -22.431 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -11.035 -2.323 -24.015 1.00 0.00 H new ATOM 541 N GLU A 35 -6.421 -0.899 -21.187 1.00 0.00 N ATOM 542 CA GLU A 35 -5.258 0.016 -21.410 1.00 0.00 C ATOM 543 C GLU A 35 -4.990 0.856 -20.179 1.00 0.00 C ATOM 544 O GLU A 35 -5.843 1.042 -19.332 1.00 0.00 O ATOM 545 CB GLU A 35 -5.562 0.942 -22.602 1.00 0.00 C ATOM 546 CG GLU A 35 -4.256 1.466 -23.208 1.00 0.00 C ATOM 547 CD GLU A 35 -3.599 0.365 -24.044 1.00 0.00 C ATOM 548 OE1 GLU A 35 -4.283 -0.209 -24.876 1.00 0.00 O ATOM 549 OE2 GLU A 35 -2.422 0.113 -23.837 1.00 0.00 O ATOM 0 H GLU A 35 -7.150 -0.532 -20.576 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.374 -0.587 -21.618 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.131 0.400 -23.358 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.181 1.777 -22.275 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.456 2.338 -23.830 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.579 1.788 -22.416 1.00 0.00 H new ATOM 556 N LYS A 36 -3.780 1.343 -20.065 1.00 0.00 N ATOM 557 CA LYS A 36 -3.393 2.152 -18.879 1.00 0.00 C ATOM 558 C LYS A 36 -2.606 3.407 -19.306 1.00 0.00 C ATOM 559 O LYS A 36 -1.450 3.544 -18.957 1.00 0.00 O ATOM 560 CB LYS A 36 -2.497 1.265 -17.986 1.00 0.00 C ATOM 561 CG LYS A 36 -3.009 -0.196 -17.984 1.00 0.00 C ATOM 562 CD LYS A 36 -2.315 -1.026 -19.079 1.00 0.00 C ATOM 563 CE LYS A 36 -3.100 -2.327 -19.327 1.00 0.00 C ATOM 564 NZ LYS A 36 -4.512 -2.023 -19.689 1.00 0.00 N ATOM 0 H LYS A 36 -3.039 1.211 -20.753 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.285 2.479 -18.345 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.469 1.296 -18.348 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.489 1.655 -16.968 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.826 -0.648 -17.009 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.087 -0.207 -18.143 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.252 -0.448 -20.001 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.294 -1.259 -18.778 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.628 -2.897 -20.127 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.074 -2.951 -18.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.127 -2.798 -19.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.805 -1.136 -19.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.592 -1.922 -20.721 1.00 0.00 H new ATOM 578 N PRO A 37 -3.254 4.310 -20.013 1.00 0.00 N ATOM 579 CA PRO A 37 -2.615 5.561 -20.433 1.00 0.00 C ATOM 580 C PRO A 37 -2.507 6.491 -19.230 1.00 0.00 C ATOM 581 O PRO A 37 -3.143 6.296 -18.214 1.00 0.00 O ATOM 582 CB PRO A 37 -3.559 6.168 -21.483 1.00 0.00 C ATOM 583 CG PRO A 37 -4.897 5.403 -21.367 1.00 0.00 C ATOM 584 CD PRO A 37 -4.650 4.161 -20.471 1.00 0.00 C ATOM 0 HA PRO A 37 -1.614 5.406 -20.834 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.705 7.233 -21.304 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.141 6.068 -22.485 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.667 6.041 -20.933 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.252 5.100 -22.352 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.343 4.133 -19.630 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.788 3.235 -21.029 1.00 0.00 H new ATOM 592 N GLU A 38 -1.717 7.505 -19.352 1.00 0.00 N ATOM 593 CA GLU A 38 -1.569 8.477 -18.230 1.00 0.00 C ATOM 594 C GLU A 38 -2.583 9.602 -18.434 1.00 0.00 C ATOM 595 O GLU A 38 -3.291 9.976 -17.526 1.00 0.00 O ATOM 596 CB GLU A 38 -0.146 9.051 -18.236 1.00 0.00 C ATOM 597 CG GLU A 38 0.112 9.847 -16.947 1.00 0.00 C ATOM 598 CD GLU A 38 -0.525 11.237 -17.042 1.00 0.00 C ATOM 599 OE1 GLU A 38 -0.935 11.614 -18.127 1.00 0.00 O ATOM 600 OE2 GLU A 38 -0.589 11.902 -16.022 1.00 0.00 O ATOM 0 H GLU A 38 -1.160 7.712 -20.181 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.746 7.984 -17.274 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.580 8.242 -18.324 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.010 9.697 -19.104 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.298 9.310 -16.092 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.185 9.942 -16.779 1.00 0.00 H new ATOM 607 N ASN A 39 -2.657 10.112 -19.643 1.00 0.00 N ATOM 608 CA ASN A 39 -3.616 11.207 -19.990 1.00 0.00 C ATOM 609 C ASN A 39 -3.378 12.419 -19.091 1.00 0.00 C ATOM 610 O ASN A 39 -3.051 13.493 -19.555 1.00 0.00 O ATOM 611 CB ASN A 39 -5.061 10.702 -19.824 1.00 0.00 C ATOM 612 CG ASN A 39 -5.460 9.863 -21.041 1.00 0.00 C ATOM 613 OD1 ASN A 39 -4.685 9.697 -21.960 1.00 0.00 O ATOM 614 ND2 ASN A 39 -6.649 9.327 -21.083 1.00 0.00 N ATOM 0 H ASN A 39 -2.076 9.804 -20.423 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.458 11.505 -21.027 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -5.145 10.105 -18.916 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.741 11.547 -19.714 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -6.928 8.768 -21.889 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -7.299 9.467 -20.310 1.00 0.00 H new ATOM 621 N ASP A 40 -3.502 12.227 -17.814 1.00 0.00 N ATOM 622 CA ASP A 40 -3.267 13.328 -16.831 1.00 0.00 C ATOM 623 C ASP A 40 -3.806 12.988 -15.415 1.00 0.00 C ATOM 624 O ASP A 40 -3.109 13.185 -14.439 1.00 0.00 O ATOM 625 CB ASP A 40 -3.826 14.699 -17.333 1.00 0.00 C ATOM 626 CG ASP A 40 -2.676 15.610 -17.793 1.00 0.00 C ATOM 627 OD1 ASP A 40 -1.711 15.087 -18.325 1.00 0.00 O ATOM 628 OD2 ASP A 40 -2.787 16.809 -17.606 1.00 0.00 O ATOM 0 H ASP A 40 -3.762 11.335 -17.394 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.185 13.427 -16.747 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.521 14.536 -18.157 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.386 15.185 -16.534 1.00 0.00 H new ATOM 633 N PRO A 41 -5.008 12.505 -15.341 1.00 0.00 N ATOM 634 CA PRO A 41 -5.646 12.151 -14.061 1.00 0.00 C ATOM 635 C PRO A 41 -4.946 10.932 -13.447 1.00 0.00 C ATOM 636 O PRO A 41 -4.426 11.014 -12.357 1.00 0.00 O ATOM 637 CB PRO A 41 -7.112 11.827 -14.434 1.00 0.00 C ATOM 638 CG PRO A 41 -7.220 11.906 -15.984 1.00 0.00 C ATOM 639 CD PRO A 41 -5.821 12.277 -16.518 1.00 0.00 C ATOM 0 HA PRO A 41 -5.585 12.948 -13.320 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -7.389 10.834 -14.079 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -7.794 12.535 -13.964 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -7.549 10.952 -16.396 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -7.956 12.653 -16.281 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -5.409 11.475 -17.131 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.863 13.168 -17.145 1.00 0.00 H new ATOM 647 N GLU A 42 -4.954 9.821 -14.173 1.00 0.00 N ATOM 648 CA GLU A 42 -4.318 8.519 -13.729 1.00 0.00 C ATOM 649 C GLU A 42 -5.328 7.373 -13.948 1.00 0.00 C ATOM 650 O GLU A 42 -5.120 6.254 -13.525 1.00 0.00 O ATOM 651 CB GLU A 42 -3.887 8.551 -12.246 1.00 0.00 C ATOM 652 CG GLU A 42 -2.512 9.234 -12.093 1.00 0.00 C ATOM 653 CD GLU A 42 -2.209 9.476 -10.609 1.00 0.00 C ATOM 654 OE1 GLU A 42 -2.992 9.038 -9.784 1.00 0.00 O ATOM 655 OE2 GLU A 42 -1.196 10.097 -10.328 1.00 0.00 O ATOM 0 H GLU A 42 -5.394 9.764 -15.092 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.418 8.364 -14.324 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.632 9.086 -11.657 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.840 7.535 -11.854 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.735 8.609 -12.534 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.505 10.181 -12.633 1.00 0.00 H new ATOM 662 N TRP A 43 -6.423 7.641 -14.615 1.00 14.29 N ATOM 663 CA TRP A 43 -7.441 6.574 -14.856 1.00 10.30 C ATOM 664 C TRP A 43 -6.923 5.562 -15.889 1.00 6.82 C ATOM 665 O TRP A 43 -5.949 5.801 -16.569 1.00 6.91 O ATOM 666 CB TRP A 43 -8.731 7.209 -15.367 1.00 13.39 C ATOM 667 CG TRP A 43 -9.088 8.398 -14.536 1.00 11.71 C ATOM 668 CD1 TRP A 43 -8.577 8.687 -13.317 1.00 13.93 C ATOM 669 CD2 TRP A 43 -10.037 9.461 -14.839 1.00 7.44 C ATOM 670 NE1 TRP A 43 -9.149 9.851 -12.857 1.00 6.63 N ATOM 671 CE2 TRP A 43 -10.053 10.369 -13.756 1.00 8.43 C ATOM 672 CE3 TRP A 43 -10.877 9.725 -15.935 1.00 6.37 C ATOM 673 CZ2 TRP A 43 -10.868 11.495 -13.758 1.00 11.15 C ATOM 674 CZ3 TRP A 43 -11.702 10.860 -15.941 1.00 2.36 C ATOM 675 CH2 TRP A 43 -11.697 11.744 -14.853 1.00 8.17 C ATOM 0 H TRP A 43 -6.656 8.555 -15.004 1.00 14.29 H new ATOM 0 HA TRP A 43 -7.633 6.052 -13.919 1.00 10.30 H new ATOM 0 HB2 TRP A 43 -8.610 7.508 -16.408 1.00 13.39 H new ATOM 0 HB3 TRP A 43 -9.540 6.479 -15.337 1.00 13.39 H new ATOM 0 HD1 TRP A 43 -7.840 8.099 -12.790 1.00 13.93 H new ATOM 0 HE1 TRP A 43 -8.929 10.279 -11.957 1.00 6.63 H new ATOM 0 HE3 TRP A 43 -10.887 9.050 -16.778 1.00 6.37 H new ATOM 0 HZ2 TRP A 43 -10.860 12.173 -12.917 1.00 11.15 H new ATOM 0 HZ3 TRP A 43 -12.344 11.053 -16.788 1.00 2.36 H new ATOM 0 HH2 TRP A 43 -12.334 12.616 -14.862 1.00 8.17 H new ATOM 686 N TRP A 44 -7.578 4.427 -15.990 1.00 6.17 N ATOM 687 CA TRP A 44 -7.148 3.356 -16.951 1.00 5.58 C ATOM 688 C TRP A 44 -8.354 2.909 -17.786 1.00 6.91 C ATOM 689 O TRP A 44 -9.453 2.798 -17.278 1.00 8.86 O ATOM 690 CB TRP A 44 -6.686 2.112 -16.152 1.00 2.99 C ATOM 691 CG TRP A 44 -5.275 2.200 -15.627 1.00 7.04 C ATOM 692 CD1 TRP A 44 -4.356 3.173 -15.869 1.00 5.83 C ATOM 693 CD2 TRP A 44 -4.608 1.234 -14.757 1.00 5.23 C ATOM 694 NE1 TRP A 44 -3.187 2.860 -15.199 1.00 4.61 N ATOM 695 CE2 TRP A 44 -3.292 1.678 -14.504 1.00 9.27 C ATOM 696 CE3 TRP A 44 -5.021 0.026 -14.165 1.00 6.86 C ATOM 697 CZ2 TRP A 44 -2.414 0.950 -13.699 1.00 11.14 C ATOM 698 CZ3 TRP A 44 -4.143 -0.710 -13.353 1.00 11.80 C ATOM 699 CH2 TRP A 44 -2.842 -0.248 -13.121 1.00 11.72 C ATOM 0 H TRP A 44 -8.404 4.194 -15.439 1.00 6.17 H new ATOM 0 HA TRP A 44 -6.350 3.749 -17.581 1.00 5.58 H new ATOM 0 HB2 TRP A 44 -7.365 1.961 -15.313 1.00 2.99 H new ATOM 0 HB3 TRP A 44 -6.769 1.233 -16.791 1.00 2.99 H new ATOM 0 HD1 TRP A 44 -4.513 4.047 -16.484 1.00 5.83 H new ATOM 0 HE1 TRP A 44 -2.347 3.438 -15.218 1.00 4.61 H new ATOM 0 HE3 TRP A 44 -6.023 -0.339 -14.337 1.00 6.86 H new ATOM 0 HZ2 TRP A 44 -1.411 1.310 -13.524 1.00 11.14 H new ATOM 0 HZ3 TRP A 44 -4.473 -1.636 -12.906 1.00 11.80 H new ATOM 0 HH2 TRP A 44 -2.170 -0.817 -12.496 1.00 11.72 H new ATOM 710 N LYS A 45 -8.158 2.572 -19.037 1.00 0.00 N ATOM 711 CA LYS A 45 -9.307 2.049 -19.819 1.00 0.00 C ATOM 712 C LYS A 45 -9.456 0.604 -19.399 1.00 0.00 C ATOM 713 O LYS A 45 -8.748 -0.252 -19.883 1.00 0.00 O ATOM 714 CB LYS A 45 -9.044 2.085 -21.330 1.00 0.00 C ATOM 715 CG LYS A 45 -10.342 1.678 -22.088 1.00 0.00 C ATOM 716 CD LYS A 45 -10.120 1.769 -23.614 1.00 0.00 C ATOM 717 CE LYS A 45 -11.402 1.383 -24.362 1.00 0.00 C ATOM 718 NZ LYS A 45 -11.178 1.496 -25.828 1.00 0.00 N ATOM 0 H LYS A 45 -7.271 2.636 -19.537 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.193 2.656 -19.630 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.731 3.084 -21.633 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.231 1.405 -21.586 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.628 0.662 -21.815 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.164 2.331 -21.793 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.823 2.782 -23.885 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.305 1.108 -23.910 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -11.692 0.364 -24.106 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.222 2.033 -24.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -12.048 1.234 -26.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.921 2.475 -26.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.407 0.858 -26.112 1.00 0.00 H new ATOM 732 N CYS A 46 -10.331 0.323 -18.480 1.00 0.00 N ATOM 733 CA CYS A 46 -10.482 -1.081 -18.006 1.00 0.00 C ATOM 734 C CYS A 46 -11.855 -1.605 -18.345 1.00 0.00 C ATOM 735 O CYS A 46 -12.867 -1.009 -18.028 1.00 0.00 O ATOM 736 CB CYS A 46 -10.276 -1.130 -16.490 1.00 0.00 C ATOM 737 SG CYS A 46 -11.723 -0.430 -15.657 1.00 0.00 S ATOM 0 H CYS A 46 -10.949 1.002 -18.035 1.00 0.00 H new ATOM 0 HA CYS A 46 -9.736 -1.704 -18.501 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -10.121 -2.159 -16.167 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -9.381 -0.572 -16.216 1.00 0.00 H new ATOM 0 HG CYS A 46 -12.726 -0.397 -16.484 1.00 0.00 H new ATOM 743 N LYS A 47 -11.900 -2.743 -18.962 1.00 0.00 N ATOM 744 CA LYS A 47 -13.201 -3.343 -19.292 1.00 0.00 C ATOM 745 C LYS A 47 -13.676 -4.058 -18.044 1.00 0.00 C ATOM 746 O LYS A 47 -12.857 -4.523 -17.279 1.00 0.00 O ATOM 747 CB LYS A 47 -13.027 -4.357 -20.425 1.00 0.00 C ATOM 748 CG LYS A 47 -14.276 -5.237 -20.553 1.00 0.00 C ATOM 749 CD LYS A 47 -14.253 -5.972 -21.894 1.00 0.00 C ATOM 750 CE LYS A 47 -15.540 -6.782 -22.054 1.00 0.00 C ATOM 751 NZ LYS A 47 -15.647 -7.282 -23.454 1.00 0.00 N ATOM 0 H LYS A 47 -11.085 -3.283 -19.252 1.00 0.00 H new ATOM 0 HA LYS A 47 -13.916 -2.585 -19.613 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -12.845 -3.834 -21.364 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -12.154 -4.980 -20.233 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -14.312 -5.955 -19.734 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -15.174 -4.624 -20.479 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -14.157 -5.257 -22.711 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -13.387 -6.632 -21.944 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -15.543 -7.620 -21.357 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -16.404 -6.163 -21.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -16.523 -7.832 -23.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -15.663 -6.475 -24.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.829 -7.888 -23.670 1.00 0.00 H new ATOM 765 N ASN A 48 -14.962 -4.184 -17.801 1.00 0.00 N ATOM 766 CA ASN A 48 -15.361 -4.948 -16.564 1.00 0.00 C ATOM 767 C ASN A 48 -15.662 -6.383 -16.994 1.00 0.00 C ATOM 768 O ASN A 48 -16.374 -6.588 -17.948 1.00 0.00 O ATOM 769 CB ASN A 48 -16.535 -4.273 -15.803 1.00 0.00 C ATOM 770 CG ASN A 48 -17.920 -4.442 -16.448 1.00 0.00 C ATOM 771 OD1 ASN A 48 -18.774 -3.606 -16.244 1.00 0.00 O ATOM 772 ND2 ASN A 48 -18.223 -5.487 -17.155 1.00 0.00 N ATOM 0 H ASN A 48 -15.722 -3.813 -18.371 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.547 -4.951 -15.840 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.572 -4.678 -14.792 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -16.322 -3.208 -15.712 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -19.166 -5.594 -17.528 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -17.518 -6.201 -17.337 1.00 0.00 H new ATOM 779 N ALA A 49 -15.091 -7.403 -16.369 1.00 0.00 N ATOM 780 CA ALA A 49 -15.393 -8.775 -16.858 1.00 0.00 C ATOM 781 C ALA A 49 -16.908 -8.920 -16.942 1.00 0.00 C ATOM 782 O ALA A 49 -17.427 -9.770 -17.639 1.00 0.00 O ATOM 783 CB ALA A 49 -14.824 -9.823 -15.902 1.00 0.00 C ATOM 0 H ALA A 49 -14.455 -7.338 -15.574 1.00 0.00 H new ATOM 0 HA ALA A 49 -14.938 -8.929 -17.836 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -15.055 -10.820 -16.276 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -13.743 -9.703 -15.832 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -15.268 -9.694 -14.915 1.00 0.00 H new ATOM 789 N ARG A 50 -17.625 -8.059 -16.264 1.00 0.00 N ATOM 790 CA ARG A 50 -19.104 -8.116 -16.346 1.00 0.00 C ATOM 791 C ARG A 50 -19.468 -7.791 -17.792 1.00 0.00 C ATOM 792 O ARG A 50 -20.605 -7.883 -18.212 1.00 0.00 O ATOM 793 CB ARG A 50 -19.731 -7.114 -15.346 1.00 0.00 C ATOM 794 CG ARG A 50 -20.172 -7.853 -14.057 1.00 0.00 C ATOM 795 CD ARG A 50 -20.352 -6.870 -12.866 1.00 0.00 C ATOM 796 NE ARG A 50 -21.719 -7.019 -12.251 1.00 0.00 N ATOM 797 CZ ARG A 50 -22.812 -6.954 -12.969 1.00 0.00 C ATOM 798 NH1 ARG A 50 -22.754 -6.673 -14.239 1.00 0.00 N ATOM 799 NH2 ARG A 50 -23.971 -7.143 -12.399 1.00 0.00 N ATOM 0 H ARG A 50 -17.247 -7.326 -15.663 1.00 0.00 H new ATOM 0 HA ARG A 50 -19.491 -9.099 -16.077 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -19.010 -6.335 -15.099 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -20.589 -6.621 -15.803 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -21.109 -8.378 -14.241 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -19.429 -8.608 -13.798 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -19.587 -7.060 -12.113 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -20.213 -5.845 -13.210 1.00 0.00 H new ATOM 0 HE ARG A 50 -21.795 -7.175 -11.246 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -21.852 -6.501 -14.683 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -23.611 -6.625 -14.790 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -24.022 -7.340 -11.399 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -24.826 -7.094 -12.953 1.00 0.00 H new ATOM 813 N GLY A 51 -18.464 -7.460 -18.559 1.00 8.07 N ATOM 814 CA GLY A 51 -18.644 -7.168 -20.000 1.00 7.79 C ATOM 815 C GLY A 51 -18.851 -5.668 -20.269 1.00 9.08 C ATOM 816 O GLY A 51 -19.570 -5.311 -21.184 1.00 14.41 O ATOM 0 H GLY A 51 -17.501 -7.379 -18.231 1.00 8.07 H new ATOM 0 HA2 GLY A 51 -17.771 -7.517 -20.551 1.00 7.79 H new ATOM 0 HA3 GLY A 51 -19.502 -7.724 -20.377 1.00 7.79 H new ATOM 820 N GLN A 52 -18.232 -4.776 -19.513 1.00 0.00 N ATOM 821 CA GLN A 52 -18.429 -3.301 -19.801 1.00 0.00 C ATOM 822 C GLN A 52 -17.121 -2.524 -19.699 1.00 0.00 C ATOM 823 O GLN A 52 -16.153 -3.006 -19.192 1.00 0.00 O ATOM 824 CB GLN A 52 -19.555 -2.722 -18.892 1.00 0.00 C ATOM 825 CG GLN A 52 -19.066 -1.532 -18.048 1.00 0.00 C ATOM 826 CD GLN A 52 -20.152 -1.120 -17.073 1.00 0.00 C ATOM 827 OE1 GLN A 52 -20.576 -1.894 -16.237 1.00 0.00 O ATOM 828 NE2 GLN A 52 -20.624 0.088 -17.150 1.00 0.00 N ATOM 0 H GLN A 52 -17.615 -4.994 -18.730 1.00 0.00 H new ATOM 0 HA GLN A 52 -18.756 -3.188 -20.835 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -20.393 -2.405 -19.512 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -19.925 -3.506 -18.231 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -18.161 -1.805 -17.506 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -18.808 -0.695 -18.696 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -20.264 0.732 -17.854 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -21.355 0.392 -16.507 1.00 0.00 H new ATOM 837 N VAL A 53 -17.083 -1.314 -20.231 1.00 0.00 N ATOM 838 CA VAL A 53 -15.808 -0.525 -20.204 1.00 0.00 C ATOM 839 C VAL A 53 -16.024 0.916 -19.739 1.00 0.00 C ATOM 840 O VAL A 53 -17.087 1.486 -19.866 1.00 0.00 O ATOM 841 CB VAL A 53 -15.197 -0.499 -21.615 1.00 0.00 C ATOM 842 CG1 VAL A 53 -13.720 -0.111 -21.536 1.00 0.00 C ATOM 843 CG2 VAL A 53 -15.335 -1.877 -22.275 1.00 0.00 C ATOM 0 H VAL A 53 -17.873 -0.848 -20.677 1.00 0.00 H new ATOM 0 HA VAL A 53 -15.140 -1.012 -19.494 1.00 0.00 H new ATOM 0 HB VAL A 53 -15.730 0.238 -22.216 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -13.294 -0.095 -22.539 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -13.627 0.877 -21.086 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -13.185 -0.839 -20.926 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -14.899 -1.847 -23.274 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -14.814 -2.622 -21.674 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -16.390 -2.142 -22.347 1.00 0.00 H new ATOM 853 N GLY A 54 -14.978 1.492 -19.203 1.00 3.62 N ATOM 854 CA GLY A 54 -15.030 2.898 -18.708 1.00 3.70 C ATOM 855 C GLY A 54 -13.728 3.221 -17.962 1.00 4.69 C ATOM 856 O GLY A 54 -13.050 2.343 -17.467 1.00 7.25 O ATOM 0 H GLY A 54 -14.073 1.036 -19.086 1.00 3.62 H new ATOM 0 HA2 GLY A 54 -15.164 3.585 -19.543 1.00 3.70 H new ATOM 0 HA3 GLY A 54 -15.885 3.031 -18.045 1.00 3.70 H new ATOM 860 N LEU A 55 -13.384 4.477 -17.866 1.00 0.00 N ATOM 861 CA LEU A 55 -12.137 4.867 -17.140 1.00 0.00 C ATOM 862 C LEU A 55 -12.366 4.679 -15.634 1.00 0.00 C ATOM 863 O LEU A 55 -13.478 4.779 -15.155 1.00 0.00 O ATOM 864 CB LEU A 55 -11.828 6.342 -17.457 1.00 0.00 C ATOM 865 CG LEU A 55 -10.953 6.452 -18.718 1.00 0.00 C ATOM 866 CD1 LEU A 55 -9.553 5.826 -18.484 1.00 0.00 C ATOM 867 CD2 LEU A 55 -11.664 5.748 -19.881 1.00 0.00 C ATOM 0 H LEU A 55 -13.914 5.254 -18.260 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.295 4.249 -17.452 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -12.758 6.891 -17.604 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -11.317 6.802 -16.611 1.00 0.00 H new ATOM 0 HG LEU A 55 -10.807 7.505 -18.957 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.957 5.918 -19.392 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.053 6.347 -17.667 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.664 4.772 -18.228 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -11.051 5.821 -20.780 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -11.819 4.698 -19.631 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -12.628 6.224 -20.060 1.00 0.00 H new ATOM 879 N VAL A 56 -11.330 4.392 -14.881 1.00 0.00 N ATOM 880 CA VAL A 56 -11.515 4.186 -13.411 1.00 0.00 C ATOM 881 C VAL A 56 -10.178 4.466 -12.682 1.00 0.00 C ATOM 882 O VAL A 56 -9.150 4.016 -13.149 1.00 0.00 O ATOM 883 CB VAL A 56 -11.945 2.719 -13.182 1.00 0.00 C ATOM 884 CG1 VAL A 56 -10.736 1.778 -13.297 1.00 0.00 C ATOM 885 CG2 VAL A 56 -12.567 2.560 -11.797 1.00 0.00 C ATOM 0 H VAL A 56 -10.373 4.292 -15.218 1.00 0.00 H new ATOM 0 HA VAL A 56 -12.276 4.862 -13.021 1.00 0.00 H new ATOM 0 HB VAL A 56 -12.679 2.460 -13.945 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.058 0.750 -13.133 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -10.299 1.867 -14.292 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -9.992 2.049 -12.548 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -12.865 1.522 -11.649 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.838 2.840 -11.036 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -13.442 3.204 -11.715 1.00 0.00 H new ATOM 895 N PRO A 57 -10.192 5.170 -11.555 1.00 3.33 N ATOM 896 CA PRO A 57 -8.941 5.430 -10.826 1.00 2.75 C ATOM 897 C PRO A 57 -8.200 4.103 -10.615 1.00 4.32 C ATOM 898 O PRO A 57 -8.662 3.221 -9.918 1.00 4.76 O ATOM 899 CB PRO A 57 -9.377 6.075 -9.491 1.00 2.92 C ATOM 900 CG PRO A 57 -10.909 6.343 -9.587 1.00 3.30 C ATOM 901 CD PRO A 57 -11.403 5.749 -10.927 1.00 2.53 C ATOM 0 HA PRO A 57 -8.256 6.089 -11.360 1.00 2.75 H new ATOM 0 HB2 PRO A 57 -9.154 5.414 -8.653 1.00 2.92 H new ATOM 0 HB3 PRO A 57 -8.834 7.004 -9.317 1.00 2.92 H new ATOM 0 HG2 PRO A 57 -11.432 5.883 -8.748 1.00 3.30 H new ATOM 0 HG3 PRO A 57 -11.114 7.413 -9.543 1.00 3.30 H new ATOM 0 HD2 PRO A 57 -12.166 4.988 -10.765 1.00 2.53 H new ATOM 0 HD3 PRO A 57 -11.848 6.517 -11.560 1.00 2.53 H new ATOM 909 N LYS A 58 -7.064 3.953 -11.237 1.00 0.00 N ATOM 910 CA LYS A 58 -6.293 2.685 -11.110 1.00 0.00 C ATOM 911 C LYS A 58 -5.911 2.426 -9.647 1.00 0.00 C ATOM 912 O LYS A 58 -5.233 1.466 -9.339 1.00 0.00 O ATOM 913 CB LYS A 58 -5.030 2.795 -11.975 1.00 0.00 C ATOM 914 CG LYS A 58 -4.042 3.841 -11.384 1.00 0.00 C ATOM 915 CD LYS A 58 -2.766 3.929 -12.244 1.00 0.00 C ATOM 916 CE LYS A 58 -1.812 4.978 -11.662 1.00 0.00 C ATOM 917 NZ LYS A 58 -0.574 5.037 -12.488 1.00 0.00 N ATOM 0 H LYS A 58 -6.633 4.660 -11.833 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.907 1.850 -11.448 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.542 1.823 -12.038 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.304 3.081 -12.991 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.523 4.818 -11.337 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.780 3.565 -10.362 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.273 2.957 -12.279 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.026 4.191 -13.269 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.296 5.954 -11.643 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.562 4.726 -10.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.073 5.749 -12.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.109 4.107 -12.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.820 5.297 -13.464 1.00 0.00 H new ATOM 931 N ASN A 59 -6.343 3.269 -8.745 1.00 10.56 N ATOM 932 CA ASN A 59 -6.013 3.073 -7.294 1.00 9.74 C ATOM 933 C ASN A 59 -7.228 2.478 -6.571 1.00 9.95 C ATOM 934 O ASN A 59 -7.158 2.110 -5.417 1.00 8.95 O ATOM 935 CB ASN A 59 -5.646 4.432 -6.674 1.00 10.40 C ATOM 936 CG ASN A 59 -4.317 4.922 -7.254 1.00 12.58 C ATOM 937 OD1 ASN A 59 -3.489 4.130 -7.655 1.00 14.84 O ATOM 938 ND2 ASN A 59 -4.078 6.204 -7.319 1.00 14.09 N ATOM 0 H ASN A 59 -6.913 4.090 -8.948 1.00 10.56 H new ATOM 0 HA ASN A 59 -5.170 2.390 -7.193 1.00 9.74 H new ATOM 0 HB2 ASN A 59 -6.432 5.159 -6.877 1.00 10.40 H new ATOM 0 HB3 ASN A 59 -5.569 4.339 -5.591 1.00 10.40 H new ATOM 0 HD21 ASN A 59 -3.196 6.539 -7.707 1.00 14.09 H new ATOM 0 HD22 ASN A 59 -4.773 6.870 -6.982 1.00 14.09 H new ATOM 945 N TYR A 60 -8.346 2.390 -7.244 1.00 10.23 N ATOM 946 CA TYR A 60 -9.575 1.830 -6.602 1.00 5.50 C ATOM 947 C TYR A 60 -9.610 0.308 -6.806 1.00 5.21 C ATOM 948 O TYR A 60 -10.593 -0.341 -6.510 1.00 7.16 O ATOM 949 CB TYR A 60 -10.814 2.461 -7.264 1.00 3.37 C ATOM 950 CG TYR A 60 -11.152 3.787 -6.614 1.00 2.00 C ATOM 951 CD1 TYR A 60 -10.145 4.716 -6.331 1.00 4.04 C ATOM 952 CD2 TYR A 60 -12.484 4.087 -6.305 1.00 2.00 C ATOM 953 CE1 TYR A 60 -10.469 5.942 -5.741 1.00 4.04 C ATOM 954 CE2 TYR A 60 -12.809 5.312 -5.713 1.00 2.69 C ATOM 955 CZ TYR A 60 -11.801 6.242 -5.431 1.00 4.45 C ATOM 956 OH TYR A 60 -12.121 7.453 -4.849 1.00 9.52 O ATOM 0 H TYR A 60 -8.462 2.683 -8.214 1.00 10.23 H new ATOM 0 HA TYR A 60 -9.569 2.052 -5.535 1.00 5.50 H new ATOM 0 HB2 TYR A 60 -10.628 2.609 -8.328 1.00 3.37 H new ATOM 0 HB3 TYR A 60 -11.663 1.782 -7.180 1.00 3.37 H new ATOM 0 HD1 TYR A 60 -9.117 4.486 -6.568 1.00 4.04 H new ATOM 0 HD2 TYR A 60 -13.262 3.371 -6.524 1.00 2.00 H new ATOM 0 HE1 TYR A 60 -9.690 6.658 -5.524 1.00 4.04 H new ATOM 0 HE2 TYR A 60 -13.837 5.540 -5.474 1.00 2.69 H new ATOM 0 HH TYR A 60 -13.089 7.499 -4.702 1.00 9.52 H new ATOM 966 N VAL A 61 -8.553 -0.264 -7.320 1.00 5.00 N ATOM 967 CA VAL A 61 -8.533 -1.739 -7.557 1.00 4.84 C ATOM 968 C VAL A 61 -7.108 -2.268 -7.367 1.00 5.03 C ATOM 969 O VAL A 61 -6.145 -1.540 -7.506 1.00 5.61 O ATOM 970 CB VAL A 61 -8.996 -2.031 -8.994 1.00 6.97 C ATOM 971 CG1 VAL A 61 -10.421 -1.512 -9.195 1.00 2.00 C ATOM 972 CG2 VAL A 61 -8.067 -1.330 -9.994 1.00 2.97 C ATOM 0 H VAL A 61 -7.700 0.228 -7.587 1.00 5.00 H new ATOM 0 HA VAL A 61 -9.201 -2.230 -6.849 1.00 4.84 H new ATOM 0 HB VAL A 61 -8.969 -3.108 -9.159 1.00 6.97 H new ATOM 0 HG11 VAL A 61 -10.744 -1.721 -10.215 1.00 2.00 H new ATOM 0 HG12 VAL A 61 -11.091 -2.008 -8.493 1.00 2.00 H new ATOM 0 HG13 VAL A 61 -10.444 -0.436 -9.021 1.00 2.00 H new ATOM 0 HG21 VAL A 61 -8.401 -1.541 -11.010 1.00 2.97 H new ATOM 0 HG22 VAL A 61 -8.091 -0.254 -9.820 1.00 2.97 H new ATOM 0 HG23 VAL A 61 -7.049 -1.696 -9.863 1.00 2.97 H new ATOM 982 N VAL A 62 -6.968 -3.538 -7.068 1.00 0.00 N ATOM 983 CA VAL A 62 -5.597 -4.130 -6.889 1.00 0.00 C ATOM 984 C VAL A 62 -5.289 -5.003 -8.099 1.00 0.00 C ATOM 985 O VAL A 62 -6.176 -5.402 -8.808 1.00 0.00 O ATOM 986 CB VAL A 62 -5.560 -4.994 -5.626 1.00 0.00 C ATOM 987 CG1 VAL A 62 -5.887 -4.133 -4.403 1.00 0.00 C ATOM 988 CG2 VAL A 62 -6.592 -6.115 -5.741 1.00 0.00 C ATOM 0 H VAL A 62 -7.740 -4.192 -6.940 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.861 -3.331 -6.794 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.564 -5.423 -5.515 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.860 -4.751 -3.505 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.153 -3.332 -4.315 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.882 -3.702 -4.517 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.564 -6.729 -4.841 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -7.586 -5.684 -5.855 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -6.363 -6.733 -6.609 1.00 0.00 H new ATOM 998 N VAL A 63 -4.041 -5.301 -8.339 1.00 0.00 N ATOM 999 CA VAL A 63 -3.666 -6.154 -9.516 1.00 0.00 C ATOM 1000 C VAL A 63 -3.233 -7.539 -9.032 1.00 0.00 C ATOM 1001 O VAL A 63 -2.475 -7.674 -8.095 1.00 0.00 O ATOM 1002 CB VAL A 63 -2.512 -5.496 -10.274 1.00 0.00 C ATOM 1003 CG1 VAL A 63 -1.980 -6.453 -11.342 1.00 0.00 C ATOM 1004 CG2 VAL A 63 -3.011 -4.213 -10.942 1.00 0.00 C ATOM 0 H VAL A 63 -3.255 -4.990 -7.768 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.527 -6.256 -10.177 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.710 -5.258 -9.575 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.158 -5.979 -11.879 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.624 -7.367 -10.867 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.779 -6.696 -12.043 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.191 -3.742 -11.483 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.814 -4.454 -11.639 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.384 -3.528 -10.181 1.00 0.00 H new ATOM 1014 N LEU A 64 -3.722 -8.574 -9.675 1.00 0.00 N ATOM 1015 CA LEU A 64 -3.359 -9.969 -9.274 1.00 0.00 C ATOM 1016 C LEU A 64 -2.365 -10.546 -10.292 1.00 0.00 C ATOM 1017 O LEU A 64 -1.238 -10.858 -9.960 1.00 0.00 O ATOM 1018 CB LEU A 64 -4.636 -10.830 -9.242 1.00 0.00 C ATOM 1019 CG LEU A 64 -5.313 -10.743 -7.859 1.00 0.00 C ATOM 1020 CD1 LEU A 64 -5.688 -9.286 -7.519 1.00 0.00 C ATOM 1021 CD2 LEU A 64 -6.576 -11.617 -7.849 1.00 0.00 C ATOM 0 H LEU A 64 -4.362 -8.510 -10.467 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.899 -9.966 -8.286 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.328 -10.493 -10.014 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.388 -11.867 -9.467 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.610 -11.101 -7.107 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.164 -9.252 -6.539 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.788 -8.672 -7.507 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.378 -8.903 -8.271 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.054 -11.555 -6.871 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.268 -11.265 -8.614 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.304 -12.652 -8.055 1.00 0.00 H new ATOM 1033 N SER A 65 -2.771 -10.696 -11.527 1.00 0.00 N ATOM 1034 CA SER A 65 -1.838 -11.255 -12.549 1.00 0.00 C ATOM 1035 C SER A 65 -0.737 -10.234 -12.849 1.00 0.00 C ATOM 1036 O SER A 65 -0.931 -9.042 -12.723 1.00 0.00 O ATOM 1037 CB SER A 65 -2.607 -11.581 -13.835 1.00 0.00 C ATOM 1038 OG SER A 65 -3.439 -10.478 -14.169 1.00 0.00 O ATOM 0 H SER A 65 -3.702 -10.457 -11.869 1.00 0.00 H new ATOM 0 HA SER A 65 -1.388 -12.170 -12.163 1.00 0.00 H new ATOM 0 HB2 SER A 65 -1.911 -11.787 -14.648 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.210 -12.479 -13.696 1.00 0.00 H new ATOM 0 HG SER A 65 -3.897 -10.658 -15.017 1.00 0.00 H new ATOM 1044 N ASP A 66 0.423 -10.695 -13.235 1.00 0.00 N ATOM 1045 CA ASP A 66 1.544 -9.756 -13.537 1.00 0.00 C ATOM 1046 C ASP A 66 2.399 -10.333 -14.669 1.00 0.00 C ATOM 1047 O ASP A 66 2.471 -11.530 -14.856 1.00 0.00 O ATOM 1048 CB ASP A 66 2.408 -9.577 -12.287 1.00 0.00 C ATOM 1049 CG ASP A 66 3.331 -8.372 -12.468 1.00 0.00 C ATOM 1050 OD1 ASP A 66 3.113 -7.617 -13.402 1.00 0.00 O ATOM 1051 OD2 ASP A 66 4.242 -8.221 -11.671 1.00 0.00 O ATOM 0 H ASP A 66 0.644 -11.684 -13.355 1.00 0.00 H new ATOM 0 HA ASP A 66 1.140 -8.791 -13.841 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.774 -9.434 -11.412 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.998 -10.476 -12.109 1.00 0.00 H new ATOM 1056 N GLY A 67 3.049 -9.489 -15.427 1.00 0.00 N ATOM 1057 CA GLY A 67 3.899 -9.991 -16.545 1.00 0.00 C ATOM 1058 C GLY A 67 5.279 -10.398 -16.005 1.00 0.00 C ATOM 1059 O GLY A 67 5.610 -11.566 -16.006 1.00 0.00 O ATOM 0 H GLY A 67 3.028 -8.475 -15.320 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.419 -10.844 -17.024 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.009 -9.218 -17.306 1.00 0.00 H new ATOM 1063 N PRO A 68 6.048 -9.428 -15.550 1.00 0.00 N ATOM 1064 CA PRO A 68 7.389 -9.707 -15.004 1.00 0.00 C ATOM 1065 C PRO A 68 7.271 -10.663 -13.807 1.00 0.00 C ATOM 1066 O PRO A 68 7.091 -10.241 -12.682 1.00 0.00 O ATOM 1067 CB PRO A 68 7.941 -8.326 -14.576 1.00 0.00 C ATOM 1068 CG PRO A 68 6.834 -7.269 -14.868 1.00 0.00 C ATOM 1069 CD PRO A 68 5.654 -8.003 -15.545 1.00 0.00 C ATOM 0 HA PRO A 68 8.050 -10.189 -15.724 1.00 0.00 H new ATOM 0 HB2 PRO A 68 8.200 -8.328 -13.517 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.852 -8.090 -15.126 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.508 -6.791 -13.944 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.218 -6.482 -15.517 1.00 0.00 H new ATOM 0 HD2 PRO A 68 4.726 -7.851 -14.994 1.00 0.00 H new ATOM 0 HD3 PRO A 68 5.488 -7.635 -16.557 1.00 0.00 H new ATOM 1077 N ALA A 69 7.391 -11.947 -14.047 1.00 0.00 N ATOM 1078 CA ALA A 69 7.311 -12.945 -12.947 1.00 0.00 C ATOM 1079 C ALA A 69 8.666 -13.626 -12.827 1.00 0.00 C ATOM 1080 O ALA A 69 8.893 -14.702 -13.344 1.00 0.00 O ATOM 1081 CB ALA A 69 6.245 -13.992 -13.283 1.00 0.00 C ATOM 0 H ALA A 69 7.543 -12.346 -14.973 1.00 0.00 H new ATOM 0 HA ALA A 69 7.046 -12.455 -12.010 1.00 0.00 H new ATOM 0 HB1 ALA A 69 6.186 -14.723 -12.477 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.278 -13.502 -13.400 1.00 0.00 H new ATOM 0 HB3 ALA A 69 6.511 -14.497 -14.212 1.00 0.00 H new ATOM 1087 N LEU A 70 9.564 -12.996 -12.140 1.00 0.00 N ATOM 1088 CA LEU A 70 10.928 -13.574 -11.958 1.00 0.00 C ATOM 1089 C LEU A 70 10.911 -14.540 -10.773 1.00 0.00 C ATOM 1090 O LEU A 70 10.526 -14.185 -9.676 1.00 0.00 O ATOM 1091 CB LEU A 70 11.927 -12.443 -11.682 1.00 0.00 C ATOM 1092 CG LEU A 70 12.156 -11.608 -12.961 1.00 0.00 C ATOM 1093 CD1 LEU A 70 12.624 -10.200 -12.582 1.00 0.00 C ATOM 1094 CD2 LEU A 70 13.227 -12.267 -13.841 1.00 0.00 C ATOM 0 H LEU A 70 9.417 -12.093 -11.688 1.00 0.00 H new ATOM 0 HA LEU A 70 11.225 -14.108 -12.861 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.551 -11.803 -10.884 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.873 -12.860 -11.337 1.00 0.00 H new ATOM 0 HG LEU A 70 11.217 -11.553 -13.512 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.784 -9.614 -13.487 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.864 -9.717 -11.967 1.00 0.00 H new ATOM 0 HD13 LEU A 70 13.557 -10.265 -12.022 1.00 0.00 H new ATOM 0 HD21 LEU A 70 13.379 -11.668 -14.739 1.00 0.00 H new ATOM 0 HD22 LEU A 70 14.163 -12.333 -13.287 1.00 0.00 H new ATOM 0 HD23 LEU A 70 12.901 -13.268 -14.123 1.00 0.00 H new ATOM 1106 N HIS A 71 11.324 -15.759 -10.982 1.00 0.00 N ATOM 1107 CA HIS A 71 11.331 -16.747 -9.865 1.00 0.00 C ATOM 1108 C HIS A 71 9.966 -16.743 -9.175 1.00 0.00 C ATOM 1109 CB HIS A 71 12.414 -16.363 -8.855 1.00 0.00 C ATOM 1110 CG HIS A 71 12.617 -17.491 -7.881 1.00 0.00 C ATOM 1111 ND1 HIS A 71 11.746 -18.568 -7.806 1.00 0.00 N ATOM 1112 CD2 HIS A 71 13.585 -17.726 -6.936 1.00 0.00 C ATOM 1113 CE1 HIS A 71 12.205 -19.393 -6.847 1.00 0.00 C ATOM 1114 NE2 HIS A 71 13.321 -18.928 -6.284 1.00 0.00 N ATOM 0 H HIS A 71 11.657 -16.115 -11.878 1.00 0.00 H new ATOM 0 HA HIS A 71 11.537 -17.742 -10.259 1.00 0.00 H new ATOM 0 HB2 HIS A 71 13.348 -16.144 -9.373 1.00 0.00 H new ATOM 0 HB3 HIS A 71 12.125 -15.457 -8.323 1.00 0.00 H new ATOM 0 HD2 HIS A 71 14.424 -17.077 -6.730 1.00 0.00 H new ATOM 0 HE1 HIS A 71 11.727 -20.320 -6.567 1.00 0.00 H new ATOM 0 HE2 HIS A 71 13.864 -19.360 -5.537 1.00 0.00 H new TER 1122 HIS A 71 ATOM 1123 N GLY B 72 -14.309 -13.412 8.175 1.00 0.00 N ATOM 1124 CA GLY B 72 -13.454 -13.555 6.962 1.00 0.00 C ATOM 1125 C GLY B 72 -12.983 -12.172 6.504 1.00 0.00 C ATOM 1126 O GLY B 72 -13.164 -11.792 5.365 1.00 0.00 O ATOM 0 HA2 GLY B 72 -12.595 -14.189 7.182 1.00 0.00 H new ATOM 0 HA3 GLY B 72 -14.014 -14.043 6.164 1.00 0.00 H new ATOM 1131 N SER B 73 -12.380 -11.419 7.382 1.00 0.00 N ATOM 1132 CA SER B 73 -11.899 -10.064 6.994 1.00 0.00 C ATOM 1133 C SER B 73 -10.587 -10.191 6.220 1.00 0.00 C ATOM 1134 O SER B 73 -9.867 -11.162 6.350 1.00 0.00 O ATOM 1135 CB SER B 73 -11.668 -9.226 8.254 1.00 0.00 C ATOM 1136 OG SER B 73 -12.772 -9.387 9.135 1.00 0.00 O ATOM 0 H SER B 73 -12.200 -11.683 8.351 1.00 0.00 H new ATOM 0 HA SER B 73 -12.646 -9.579 6.366 1.00 0.00 H new ATOM 0 HB2 SER B 73 -10.747 -9.536 8.747 1.00 0.00 H new ATOM 0 HB3 SER B 73 -11.550 -8.175 7.989 1.00 0.00 H new ATOM 0 HG SER B 73 -12.626 -8.853 9.944 1.00 0.00 H new ATOM 1142 N MET B 74 -10.268 -9.216 5.412 1.00 0.00 N ATOM 1143 CA MET B 74 -9.002 -9.283 4.627 1.00 0.00 C ATOM 1144 C MET B 74 -7.841 -9.625 5.562 1.00 0.00 C ATOM 1145 O MET B 74 -7.973 -9.585 6.769 1.00 0.00 O ATOM 1146 CB MET B 74 -8.742 -7.929 3.964 1.00 0.00 C ATOM 1147 CG MET B 74 -10.031 -7.421 3.316 1.00 0.00 C ATOM 1148 SD MET B 74 -9.654 -6.007 2.253 1.00 0.00 S ATOM 1149 CE MET B 74 -11.240 -5.153 2.438 1.00 0.00 C ATOM 0 H MET B 74 -10.829 -8.377 5.262 1.00 0.00 H new ATOM 0 HA MET B 74 -9.089 -10.052 3.860 1.00 0.00 H new ATOM 0 HB2 MET B 74 -8.388 -7.212 4.704 1.00 0.00 H new ATOM 0 HB3 MET B 74 -7.958 -8.025 3.213 1.00 0.00 H new ATOM 0 HG2 MET B 74 -10.495 -8.216 2.732 1.00 0.00 H new ATOM 0 HG3 MET B 74 -10.747 -7.131 4.085 1.00 0.00 H new ATOM 0 HE1 MET B 74 -11.228 -4.233 1.853 1.00 0.00 H new ATOM 0 HE2 MET B 74 -12.044 -5.798 2.084 1.00 0.00 H new ATOM 0 HE3 MET B 74 -11.404 -4.913 3.489 1.00 0.00 H new ATOM 1159 N GLY B 75 -6.704 -9.960 5.016 1.00 0.00 N ATOM 1160 CA GLY B 75 -5.537 -10.305 5.875 1.00 0.00 C ATOM 1161 C GLY B 75 -4.282 -10.425 5.010 1.00 0.00 C ATOM 1162 O GLY B 75 -3.522 -11.364 5.128 1.00 0.00 O ATOM 0 H GLY B 75 -6.533 -10.010 4.012 1.00 0.00 H new ATOM 0 HA2 GLY B 75 -5.394 -9.539 6.637 1.00 0.00 H new ATOM 0 HA3 GLY B 75 -5.722 -11.243 6.398 1.00 0.00 H new ATOM 1166 N VAL B 76 -4.058 -9.475 4.141 1.00 0.00 N ATOM 1167 CA VAL B 76 -2.848 -9.534 3.268 1.00 0.00 C ATOM 1168 C VAL B 76 -2.472 -8.114 2.821 1.00 0.00 C ATOM 1169 O VAL B 76 -3.312 -7.386 2.333 1.00 0.00 O ATOM 1170 CB VAL B 76 -3.155 -10.379 2.022 1.00 0.00 C ATOM 1171 CG1 VAL B 76 -2.324 -9.881 0.840 1.00 0.00 C ATOM 1172 CG2 VAL B 76 -2.808 -11.846 2.271 1.00 0.00 C ATOM 0 H VAL B 76 -4.658 -8.663 3.998 1.00 0.00 H new ATOM 0 HA VAL B 76 -2.024 -9.980 3.825 1.00 0.00 H new ATOM 0 HB VAL B 76 -4.219 -10.287 1.802 1.00 0.00 H new ATOM 0 HG11 VAL B 76 -2.546 -10.484 -0.041 1.00 0.00 H new ATOM 0 HG12 VAL B 76 -2.569 -8.838 0.637 1.00 0.00 H new ATOM 0 HG13 VAL B 76 -1.264 -9.965 1.079 1.00 0.00 H new ATOM 0 HG21 VAL B 76 -3.032 -12.429 1.378 1.00 0.00 H new ATOM 0 HG22 VAL B 76 -1.747 -11.934 2.506 1.00 0.00 H new ATOM 0 HG23 VAL B 76 -3.397 -12.222 3.107 1.00 0.00 H new ATOM 1182 N PRO B 77 -1.216 -7.774 2.971 1.00 0.00 N ATOM 1183 CA PRO B 77 -0.715 -6.464 2.554 1.00 0.00 C ATOM 1184 C PRO B 77 -0.616 -6.434 1.046 1.00 0.00 C ATOM 1185 O PRO B 77 -0.639 -7.456 0.391 1.00 0.00 O ATOM 1186 CB PRO B 77 0.679 -6.353 3.177 1.00 0.00 C ATOM 1187 CG PRO B 77 1.017 -7.734 3.788 1.00 0.00 C ATOM 1188 CD PRO B 77 -0.196 -8.647 3.575 1.00 0.00 C ATOM 0 HA PRO B 77 -1.362 -5.644 2.866 1.00 0.00 H new ATOM 0 HB2 PRO B 77 1.416 -6.074 2.424 1.00 0.00 H new ATOM 0 HB3 PRO B 77 0.698 -5.578 3.943 1.00 0.00 H new ATOM 0 HG2 PRO B 77 1.902 -8.157 3.312 1.00 0.00 H new ATOM 0 HG3 PRO B 77 1.241 -7.638 4.850 1.00 0.00 H new ATOM 0 HD2 PRO B 77 0.048 -9.484 2.920 1.00 0.00 H new ATOM 0 HD3 PRO B 77 -0.544 -9.070 4.517 1.00 0.00 H new ATOM 1196 N ILE B 78 -0.507 -5.275 0.493 1.00 0.00 N ATOM 1197 CA ILE B 78 -0.408 -5.175 -0.978 1.00 0.00 C ATOM 1198 C ILE B 78 0.688 -4.190 -1.345 1.00 0.00 C ATOM 1199 O ILE B 78 0.666 -3.033 -0.974 1.00 0.00 O ATOM 1200 CB ILE B 78 -1.756 -4.752 -1.543 1.00 0.00 C ATOM 1201 CG1 ILE B 78 -2.775 -5.814 -1.139 1.00 0.00 C ATOM 1202 CG2 ILE B 78 -1.660 -4.672 -3.063 1.00 0.00 C ATOM 1203 CD1 ILE B 78 -4.200 -5.295 -1.288 1.00 0.00 C ATOM 0 H ILE B 78 -0.482 -4.387 0.995 1.00 0.00 H new ATOM 0 HA ILE B 78 -0.148 -6.142 -1.409 1.00 0.00 H new ATOM 0 HB ILE B 78 -2.054 -3.776 -1.161 1.00 0.00 H new ATOM 0 HG12 ILE B 78 -2.642 -6.703 -1.756 1.00 0.00 H new ATOM 0 HG13 ILE B 78 -2.601 -6.115 -0.106 1.00 0.00 H new ATOM 0 HG21 ILE B 78 -2.624 -4.369 -3.473 1.00 0.00 H new ATOM 0 HG22 ILE B 78 -0.901 -3.941 -3.342 1.00 0.00 H new ATOM 0 HG23 ILE B 78 -1.387 -5.649 -3.462 1.00 0.00 H new ATOM 0 HD11 ILE B 78 -4.903 -6.074 -0.993 1.00 0.00 H new ATOM 0 HD12 ILE B 78 -4.337 -4.421 -0.651 1.00 0.00 H new ATOM 0 HD13 ILE B 78 -4.380 -5.018 -2.327 1.00 0.00 H new ATOM 1215 N CYS B 79 1.667 -4.668 -2.049 1.00 0.00 N ATOM 1216 CA CYS B 79 2.808 -3.809 -2.431 1.00 0.00 C ATOM 1217 C CYS B 79 2.311 -2.614 -3.231 1.00 0.00 C ATOM 1218 O CYS B 79 1.758 -2.746 -4.305 1.00 0.00 O ATOM 1219 CB CYS B 79 3.800 -4.627 -3.255 1.00 0.00 C ATOM 1220 SG CYS B 79 5.047 -3.536 -3.978 1.00 0.00 S ATOM 0 H CYS B 79 1.724 -5.631 -2.380 1.00 0.00 H new ATOM 0 HA CYS B 79 3.307 -3.441 -1.534 1.00 0.00 H new ATOM 0 HB2 CYS B 79 4.280 -5.375 -2.624 1.00 0.00 H new ATOM 0 HB3 CYS B 79 3.274 -5.165 -4.044 1.00 0.00 H new ATOM 1225 N GLY B 80 2.508 -1.443 -2.702 1.00 0.00 N ATOM 1226 CA GLY B 80 2.052 -0.218 -3.408 1.00 0.00 C ATOM 1227 C GLY B 80 2.834 -0.063 -4.709 1.00 0.00 C ATOM 1228 O GLY B 80 2.632 0.870 -5.459 1.00 0.00 O ATOM 0 H GLY B 80 2.968 -1.280 -1.806 1.00 0.00 H new ATOM 0 HA2 GLY B 80 0.984 -0.282 -3.618 1.00 0.00 H new ATOM 0 HA3 GLY B 80 2.201 0.657 -2.775 1.00 0.00 H new ATOM 1232 N ALA B 81 3.727 -0.972 -4.983 1.00 0.00 N ATOM 1233 CA ALA B 81 4.525 -0.879 -6.235 1.00 0.00 C ATOM 1234 C ALA B 81 3.760 -1.547 -7.375 1.00 0.00 C ATOM 1235 O ALA B 81 3.612 -0.992 -8.447 1.00 0.00 O ATOM 1236 CB ALA B 81 5.870 -1.581 -6.035 1.00 0.00 C ATOM 0 H ALA B 81 3.938 -1.776 -4.393 1.00 0.00 H new ATOM 0 HA ALA B 81 4.698 0.169 -6.482 1.00 0.00 H new ATOM 0 HB1 ALA B 81 6.456 -1.513 -6.952 1.00 0.00 H new ATOM 0 HB2 ALA B 81 6.413 -1.101 -5.221 1.00 0.00 H new ATOM 0 HB3 ALA B 81 5.700 -2.629 -5.789 1.00 0.00 H new ATOM 1242 N CYS B 82 3.273 -2.733 -7.148 1.00 0.00 N ATOM 1243 CA CYS B 82 2.511 -3.453 -8.209 1.00 0.00 C ATOM 1244 C CYS B 82 1.070 -3.652 -7.741 1.00 0.00 C ATOM 1245 O CYS B 82 0.279 -4.304 -8.397 1.00 0.00 O ATOM 1246 CB CYS B 82 3.159 -4.816 -8.454 1.00 0.00 C ATOM 1247 SG CYS B 82 3.703 -5.518 -6.876 1.00 0.00 S ATOM 0 H CYS B 82 3.370 -3.240 -6.268 1.00 0.00 H new ATOM 0 HA CYS B 82 2.520 -2.873 -9.132 1.00 0.00 H new ATOM 0 HB2 CYS B 82 2.449 -5.487 -8.937 1.00 0.00 H new ATOM 0 HB3 CYS B 82 4.008 -4.711 -9.129 1.00 0.00 H new ATOM 1252 N ARG B 83 0.723 -3.105 -6.605 1.00 0.00 N ATOM 1253 CA ARG B 83 -0.661 -3.275 -6.095 1.00 0.00 C ATOM 1254 C ARG B 83 -0.984 -4.766 -6.059 1.00 0.00 C ATOM 1255 O ARG B 83 -2.070 -5.188 -6.407 1.00 0.00 O ATOM 1256 CB ARG B 83 -1.648 -2.552 -7.018 1.00 0.00 C ATOM 1257 CG ARG B 83 -1.452 -1.032 -6.901 1.00 0.00 C ATOM 1258 CD ARG B 83 -2.399 -0.298 -7.861 1.00 0.00 C ATOM 1259 NE ARG B 83 -2.228 1.184 -7.729 1.00 0.00 N ATOM 1260 CZ ARG B 83 -1.339 1.834 -8.432 1.00 0.00 C ATOM 1261 NH1 ARG B 83 -0.467 1.190 -9.158 1.00 0.00 N ATOM 1262 NH2 ARG B 83 -1.292 3.137 -8.373 1.00 0.00 N ATOM 0 H ARG B 83 1.340 -2.550 -6.012 1.00 0.00 H new ATOM 0 HA ARG B 83 -0.744 -2.851 -5.094 1.00 0.00 H new ATOM 0 HB2 ARG B 83 -1.495 -2.869 -8.049 1.00 0.00 H new ATOM 0 HB3 ARG B 83 -2.671 -2.818 -6.751 1.00 0.00 H new ATOM 0 HG2 ARG B 83 -1.642 -0.712 -5.877 1.00 0.00 H new ATOM 0 HG3 ARG B 83 -0.418 -0.773 -7.130 1.00 0.00 H new ATOM 0 HD2 ARG B 83 -2.196 -0.604 -8.887 1.00 0.00 H new ATOM 0 HD3 ARG B 83 -3.431 -0.572 -7.645 1.00 0.00 H new ATOM 0 HE ARG B 83 -2.819 1.698 -7.075 1.00 0.00 H new ATOM 0 HH11 ARG B 83 -0.475 0.170 -9.180 1.00 0.00 H new ATOM 0 HH12 ARG B 83 0.223 1.706 -9.703 1.00 0.00 H new ATOM 0 HH21 ARG B 83 -1.948 3.645 -7.779 1.00 0.00 H new ATOM 0 HH22 ARG B 83 -0.599 3.648 -8.920 1.00 0.00 H new ATOM 1276 N ARG B 84 -0.042 -5.566 -5.633 1.00 0.00 N ATOM 1277 CA ARG B 84 -0.270 -7.036 -5.562 1.00 0.00 C ATOM 1278 C ARG B 84 -0.197 -7.469 -4.093 1.00 0.00 C ATOM 1279 O ARG B 84 0.596 -6.937 -3.345 1.00 0.00 O ATOM 1280 CB ARG B 84 0.819 -7.760 -6.361 1.00 0.00 C ATOM 1281 CG ARG B 84 0.256 -8.220 -7.706 1.00 0.00 C ATOM 1282 CD ARG B 84 1.377 -8.838 -8.544 1.00 0.00 C ATOM 1283 NE ARG B 84 1.026 -10.246 -8.883 1.00 0.00 N ATOM 1284 CZ ARG B 84 1.911 -11.023 -9.444 1.00 0.00 C ATOM 1285 NH1 ARG B 84 3.105 -10.566 -9.709 1.00 0.00 N ATOM 1286 NH2 ARG B 84 1.603 -12.255 -9.742 1.00 0.00 N ATOM 0 H ARG B 84 0.882 -5.260 -5.329 1.00 0.00 H new ATOM 0 HA ARG B 84 -1.246 -7.285 -5.979 1.00 0.00 H new ATOM 0 HB2 ARG B 84 1.668 -7.096 -6.520 1.00 0.00 H new ATOM 0 HB3 ARG B 84 1.186 -8.618 -5.798 1.00 0.00 H new ATOM 0 HG2 ARG B 84 -0.539 -8.949 -7.549 1.00 0.00 H new ATOM 0 HG3 ARG B 84 -0.185 -7.376 -8.236 1.00 0.00 H new ATOM 0 HD2 ARG B 84 1.525 -8.259 -9.456 1.00 0.00 H new ATOM 0 HD3 ARG B 84 2.316 -8.809 -7.992 1.00 0.00 H new ATOM 0 HE ARG B 84 0.093 -10.603 -8.676 1.00 0.00 H new ATOM 0 HH11 ARG B 84 3.345 -9.602 -9.477 1.00 0.00 H new ATOM 0 HH12 ARG B 84 3.798 -11.173 -10.148 1.00 0.00 H new ATOM 0 HH21 ARG B 84 0.670 -12.611 -9.536 1.00 0.00 H new ATOM 0 HH22 ARG B 84 2.295 -12.862 -10.181 1.00 0.00 H new ATOM 1300 N PRO B 85 -1.024 -8.415 -3.714 1.00 0.00 N ATOM 1301 CA PRO B 85 -1.045 -8.905 -2.326 1.00 0.00 C ATOM 1302 C PRO B 85 0.343 -9.399 -1.911 1.00 0.00 C ATOM 1303 O PRO B 85 0.840 -10.384 -2.418 1.00 0.00 O ATOM 1304 CB PRO B 85 -2.076 -10.044 -2.324 1.00 0.00 C ATOM 1305 CG PRO B 85 -2.700 -10.119 -3.736 1.00 0.00 C ATOM 1306 CD PRO B 85 -1.988 -9.075 -4.615 1.00 0.00 C ATOM 0 HA PRO B 85 -1.311 -8.126 -1.612 1.00 0.00 H new ATOM 0 HB2 PRO B 85 -1.600 -10.990 -2.066 1.00 0.00 H new ATOM 0 HB3 PRO B 85 -2.846 -9.861 -1.575 1.00 0.00 H new ATOM 0 HG2 PRO B 85 -2.580 -11.118 -4.155 1.00 0.00 H new ATOM 0 HG3 PRO B 85 -3.770 -9.917 -3.693 1.00 0.00 H new ATOM 0 HD2 PRO B 85 -1.482 -9.547 -5.458 1.00 0.00 H new ATOM 0 HD3 PRO B 85 -2.697 -8.358 -5.029 1.00 0.00 H new ATOM 1314 N ILE B 86 0.966 -8.722 -0.980 1.00 0.00 N ATOM 1315 CA ILE B 86 2.320 -9.162 -0.529 1.00 0.00 C ATOM 1316 C ILE B 86 2.169 -10.456 0.273 1.00 0.00 C ATOM 1317 O ILE B 86 1.102 -10.762 0.766 1.00 0.00 O ATOM 1318 CB ILE B 86 2.971 -8.066 0.322 1.00 0.00 C ATOM 1319 CG1 ILE B 86 3.193 -6.817 -0.538 1.00 0.00 C ATOM 1320 CG2 ILE B 86 4.322 -8.556 0.848 1.00 0.00 C ATOM 1321 CD1 ILE B 86 3.123 -5.563 0.341 1.00 0.00 C ATOM 0 H ILE B 86 0.599 -7.891 -0.516 1.00 0.00 H new ATOM 0 HA ILE B 86 2.963 -9.343 -1.390 1.00 0.00 H new ATOM 0 HB ILE B 86 2.317 -7.827 1.160 1.00 0.00 H new ATOM 0 HG12 ILE B 86 4.163 -6.872 -1.032 1.00 0.00 H new ATOM 0 HG13 ILE B 86 2.438 -6.765 -1.322 1.00 0.00 H new ATOM 0 HG21 ILE B 86 4.782 -7.774 1.453 1.00 0.00 H new ATOM 0 HG22 ILE B 86 4.173 -9.447 1.458 1.00 0.00 H new ATOM 0 HG23 ILE B 86 4.974 -8.796 0.008 1.00 0.00 H new ATOM 0 HD11 ILE B 86 3.281 -4.678 -0.275 1.00 0.00 H new ATOM 0 HD12 ILE B 86 2.143 -5.505 0.815 1.00 0.00 H new ATOM 0 HD13 ILE B 86 3.895 -5.614 1.109 1.00 0.00 H new ATOM 1333 N GLU B 87 3.212 -11.235 0.396 1.00 0.00 N ATOM 1334 CA GLU B 87 3.078 -12.517 1.154 1.00 0.00 C ATOM 1335 C GLU B 87 4.450 -13.030 1.594 1.00 0.00 C ATOM 1336 O GLU B 87 4.875 -14.107 1.224 1.00 0.00 O ATOM 1337 CB GLU B 87 2.401 -13.564 0.265 1.00 0.00 C ATOM 1338 CG GLU B 87 2.932 -13.439 -1.165 1.00 0.00 C ATOM 1339 CD GLU B 87 2.583 -14.704 -1.953 1.00 0.00 C ATOM 1340 OE1 GLU B 87 1.461 -14.796 -2.423 1.00 0.00 O ATOM 1341 OE2 GLU B 87 3.443 -15.560 -2.070 1.00 0.00 O ATOM 0 H GLU B 87 4.137 -11.045 0.012 1.00 0.00 H new ATOM 0 HA GLU B 87 2.473 -12.337 2.043 1.00 0.00 H new ATOM 0 HB2 GLU B 87 2.596 -14.565 0.651 1.00 0.00 H new ATOM 0 HB3 GLU B 87 1.320 -13.423 0.277 1.00 0.00 H new ATOM 0 HG2 GLU B 87 2.498 -12.565 -1.650 1.00 0.00 H new ATOM 0 HG3 GLU B 87 4.012 -13.293 -1.151 1.00 0.00 H new ATOM 1348 N GLY B 88 5.137 -12.271 2.392 1.00 0.00 N ATOM 1349 CA GLY B 88 6.476 -12.693 2.884 1.00 0.00 C ATOM 1350 C GLY B 88 6.962 -11.637 3.865 1.00 0.00 C ATOM 1351 O GLY B 88 6.515 -11.565 4.992 1.00 0.00 O ATOM 0 H GLY B 88 4.825 -11.361 2.731 1.00 0.00 H new ATOM 0 HA2 GLY B 88 6.416 -13.667 3.369 1.00 0.00 H new ATOM 0 HA3 GLY B 88 7.174 -12.794 2.053 1.00 0.00 H new ATOM 1355 N ARG B 89 7.842 -10.793 3.426 1.00 0.00 N ATOM 1356 CA ARG B 89 8.334 -9.697 4.299 1.00 0.00 C ATOM 1357 C ARG B 89 7.828 -8.393 3.703 1.00 0.00 C ATOM 1358 O ARG B 89 8.081 -8.082 2.555 1.00 0.00 O ATOM 1359 CB ARG B 89 9.858 -9.705 4.347 1.00 0.00 C ATOM 1360 CG ARG B 89 10.335 -10.872 5.215 1.00 0.00 C ATOM 1361 CD ARG B 89 11.819 -10.691 5.547 1.00 0.00 C ATOM 1362 NE ARG B 89 12.543 -11.989 5.378 1.00 0.00 N ATOM 1363 CZ ARG B 89 12.043 -13.104 5.839 1.00 0.00 C ATOM 1364 NH1 ARG B 89 10.935 -13.097 6.531 1.00 0.00 N ATOM 1365 NH2 ARG B 89 12.664 -14.234 5.625 1.00 0.00 N ATOM 0 H ARG B 89 8.247 -10.814 2.490 1.00 0.00 H new ATOM 0 HA ARG B 89 7.973 -9.820 5.320 1.00 0.00 H new ATOM 0 HB2 ARG B 89 10.264 -9.798 3.340 1.00 0.00 H new ATOM 0 HB3 ARG B 89 10.225 -8.762 4.753 1.00 0.00 H new ATOM 0 HG2 ARG B 89 9.749 -10.919 6.133 1.00 0.00 H new ATOM 0 HG3 ARG B 89 10.181 -11.815 4.691 1.00 0.00 H new ATOM 0 HD2 ARG B 89 12.256 -9.934 4.896 1.00 0.00 H new ATOM 0 HD3 ARG B 89 11.930 -10.334 6.571 1.00 0.00 H new ATOM 0 HE ARG B 89 13.441 -12.004 4.895 1.00 0.00 H new ATOM 0 HH11 ARG B 89 10.454 -12.216 6.715 1.00 0.00 H new ATOM 0 HH12 ARG B 89 10.551 -13.972 6.888 1.00 0.00 H new ATOM 0 HH21 ARG B 89 13.538 -14.244 5.099 1.00 0.00 H new ATOM 0 HH22 ARG B 89 12.275 -15.106 5.984 1.00 0.00 H new ATOM 1379 N VAL B 90 7.071 -7.655 4.451 1.00 0.00 N ATOM 1380 CA VAL B 90 6.489 -6.391 3.916 1.00 0.00 C ATOM 1381 C VAL B 90 7.304 -5.180 4.350 1.00 0.00 C ATOM 1382 O VAL B 90 8.013 -5.207 5.337 1.00 0.00 O ATOM 1383 CB VAL B 90 5.063 -6.239 4.450 1.00 0.00 C ATOM 1384 CG1 VAL B 90 4.397 -5.001 3.831 1.00 0.00 C ATOM 1385 CG2 VAL B 90 4.244 -7.484 4.088 1.00 0.00 C ATOM 0 H VAL B 90 6.825 -7.869 5.417 1.00 0.00 H new ATOM 0 HA VAL B 90 6.496 -6.442 2.827 1.00 0.00 H new ATOM 0 HB VAL B 90 5.102 -6.124 5.533 1.00 0.00 H new ATOM 0 HG11 VAL B 90 3.383 -4.902 4.218 1.00 0.00 H new ATOM 0 HG12 VAL B 90 4.972 -4.112 4.089 1.00 0.00 H new ATOM 0 HG13 VAL B 90 4.363 -5.110 2.747 1.00 0.00 H new ATOM 0 HG21 VAL B 90 3.229 -7.375 4.469 1.00 0.00 H new ATOM 0 HG22 VAL B 90 4.215 -7.598 3.004 1.00 0.00 H new ATOM 0 HG23 VAL B 90 4.706 -8.365 4.533 1.00 0.00 H new ATOM 1395 N VAL B 91 7.175 -4.099 3.624 1.00 0.00 N ATOM 1396 CA VAL B 91 7.891 -2.849 3.987 1.00 0.00 C ATOM 1397 C VAL B 91 6.841 -1.765 4.167 1.00 0.00 C ATOM 1398 O VAL B 91 6.139 -1.413 3.245 1.00 0.00 O ATOM 1399 CB VAL B 91 8.867 -2.452 2.874 1.00 0.00 C ATOM 1400 CG1 VAL B 91 9.184 -0.957 2.976 1.00 0.00 C ATOM 1401 CG2 VAL B 91 10.160 -3.252 3.034 1.00 0.00 C ATOM 0 H VAL B 91 6.596 -4.033 2.787 1.00 0.00 H new ATOM 0 HA VAL B 91 8.467 -2.989 4.902 1.00 0.00 H new ATOM 0 HB VAL B 91 8.417 -2.662 1.903 1.00 0.00 H new ATOM 0 HG11 VAL B 91 9.878 -0.677 2.184 1.00 0.00 H new ATOM 0 HG12 VAL B 91 8.264 -0.382 2.872 1.00 0.00 H new ATOM 0 HG13 VAL B 91 9.636 -0.746 3.945 1.00 0.00 H new ATOM 0 HG21 VAL B 91 10.859 -2.975 2.245 1.00 0.00 H new ATOM 0 HG22 VAL B 91 10.604 -3.035 4.006 1.00 0.00 H new ATOM 0 HG23 VAL B 91 9.940 -4.317 2.965 1.00 0.00 H new ATOM 1411 N ASN B 92 6.706 -1.245 5.350 1.00 0.00 N ATOM 1412 CA ASN B 92 5.677 -0.197 5.572 1.00 0.00 C ATOM 1413 C ASN B 92 6.282 1.177 5.307 1.00 0.00 C ATOM 1414 O ASN B 92 7.057 1.691 6.088 1.00 0.00 O ATOM 1415 CB ASN B 92 5.177 -0.275 7.010 1.00 0.00 C ATOM 1416 CG ASN B 92 4.390 -1.573 7.208 1.00 0.00 C ATOM 1417 OD1 ASN B 92 3.548 -1.659 8.082 1.00 0.00 O ATOM 1418 ND2 ASN B 92 4.629 -2.593 6.429 1.00 0.00 N ATOM 0 H ASN B 92 7.259 -1.498 6.169 1.00 0.00 H new ATOM 0 HA ASN B 92 4.841 -0.356 4.891 1.00 0.00 H new ATOM 0 HB2 ASN B 92 6.019 -0.239 7.701 1.00 0.00 H new ATOM 0 HB3 ASN B 92 4.544 0.584 7.233 1.00 0.00 H new ATOM 0 HD21 ASN B 92 4.110 -3.462 6.553 1.00 0.00 H new ATOM 0 HD22 ASN B 92 5.335 -2.521 5.696 1.00 0.00 H new ATOM 1425 N ALA B 93 5.928 1.774 4.205 1.00 0.00 N ATOM 1426 CA ALA B 93 6.472 3.118 3.870 1.00 0.00 C ATOM 1427 C ALA B 93 5.390 3.924 3.162 1.00 0.00 C ATOM 1428 O ALA B 93 4.445 3.373 2.633 1.00 0.00 O ATOM 1429 CB ALA B 93 7.678 2.962 2.943 1.00 0.00 C ATOM 0 H ALA B 93 5.281 1.387 3.518 1.00 0.00 H new ATOM 0 HA ALA B 93 6.781 3.631 4.781 1.00 0.00 H new ATOM 0 HB1 ALA B 93 8.077 3.946 2.697 1.00 0.00 H new ATOM 0 HB2 ALA B 93 8.447 2.373 3.442 1.00 0.00 H new ATOM 0 HB3 ALA B 93 7.370 2.456 2.028 1.00 0.00 H new ATOM 1435 N MET B 94 5.506 5.222 3.149 1.00 0.00 N ATOM 1436 CA MET B 94 4.468 6.045 2.477 1.00 0.00 C ATOM 1437 C MET B 94 3.130 5.740 3.126 1.00 0.00 C ATOM 1438 O MET B 94 2.075 6.005 2.585 1.00 0.00 O ATOM 1439 CB MET B 94 4.396 5.681 0.992 1.00 0.00 C ATOM 1440 CG MET B 94 5.808 5.566 0.405 1.00 0.00 C ATOM 1441 SD MET B 94 6.480 7.222 0.135 1.00 0.00 S ATOM 1442 CE MET B 94 8.197 6.864 0.578 1.00 0.00 C ATOM 0 H MET B 94 6.272 5.745 3.573 1.00 0.00 H new ATOM 0 HA MET B 94 4.713 7.103 2.573 1.00 0.00 H new ATOM 0 HB2 MET B 94 3.864 4.738 0.867 1.00 0.00 H new ATOM 0 HB3 MET B 94 3.830 6.440 0.451 1.00 0.00 H new ATOM 0 HG2 MET B 94 6.452 5.006 1.083 1.00 0.00 H new ATOM 0 HG3 MET B 94 5.780 5.015 -0.535 1.00 0.00 H new ATOM 0 HE1 MET B 94 8.696 7.786 0.875 1.00 0.00 H new ATOM 0 HE2 MET B 94 8.219 6.156 1.407 1.00 0.00 H new ATOM 0 HE3 MET B 94 8.712 6.433 -0.281 1.00 0.00 H new ATOM 1452 N GLY B 95 3.180 5.157 4.281 1.00 0.00 N ATOM 1453 CA GLY B 95 1.925 4.794 4.987 1.00 0.00 C ATOM 1454 C GLY B 95 1.268 3.645 4.228 1.00 0.00 C ATOM 1455 O GLY B 95 0.071 3.451 4.270 1.00 0.00 O ATOM 0 H GLY B 95 4.040 4.913 4.772 1.00 0.00 H new ATOM 0 HA2 GLY B 95 2.138 4.499 6.014 1.00 0.00 H new ATOM 0 HA3 GLY B 95 1.254 5.651 5.035 1.00 0.00 H new ATOM 1459 N LYS B 96 2.064 2.895 3.517 1.00 0.00 N ATOM 1460 CA LYS B 96 1.533 1.755 2.717 1.00 0.00 C ATOM 1461 C LYS B 96 2.348 0.494 3.010 1.00 0.00 C ATOM 1462 O LYS B 96 2.948 0.352 4.052 1.00 0.00 O ATOM 1463 CB LYS B 96 1.662 2.100 1.229 1.00 0.00 C ATOM 1464 CG LYS B 96 0.792 3.325 0.894 1.00 0.00 C ATOM 1465 CD LYS B 96 -0.141 2.996 -0.276 1.00 0.00 C ATOM 1466 CE LYS B 96 -0.827 4.275 -0.759 1.00 0.00 C ATOM 1467 NZ LYS B 96 -1.773 4.757 0.287 1.00 0.00 N ATOM 0 H LYS B 96 3.074 3.026 3.456 1.00 0.00 H new ATOM 0 HA LYS B 96 0.489 1.577 2.977 1.00 0.00 H new ATOM 0 HB2 LYS B 96 2.704 2.306 0.984 1.00 0.00 H new ATOM 0 HB3 LYS B 96 1.354 1.248 0.622 1.00 0.00 H new ATOM 0 HG2 LYS B 96 0.207 3.616 1.766 1.00 0.00 H new ATOM 0 HG3 LYS B 96 1.426 4.174 0.638 1.00 0.00 H new ATOM 0 HD2 LYS B 96 0.426 2.545 -1.091 1.00 0.00 H new ATOM 0 HD3 LYS B 96 -0.888 2.266 0.035 1.00 0.00 H new ATOM 0 HE2 LYS B 96 -0.082 5.042 -0.972 1.00 0.00 H new ATOM 0 HE3 LYS B 96 -1.363 4.084 -1.689 1.00 0.00 H new ATOM 0 HZ1 LYS B 96 -2.349 5.533 -0.097 1.00 0.00 H new ATOM 0 HZ2 LYS B 96 -2.395 3.976 0.579 1.00 0.00 H new ATOM 0 HZ3 LYS B 96 -1.236 5.098 1.110 1.00 0.00 H new ATOM 1481 N GLN B 97 2.366 -0.409 2.076 1.00 0.00 N ATOM 1482 CA GLN B 97 3.126 -1.675 2.230 1.00 0.00 C ATOM 1483 C GLN B 97 3.864 -1.905 0.911 1.00 0.00 C ATOM 1484 O GLN B 97 3.357 -1.573 -0.142 1.00 0.00 O ATOM 1485 CB GLN B 97 2.132 -2.807 2.490 1.00 0.00 C ATOM 1486 CG GLN B 97 1.683 -2.753 3.966 1.00 0.00 C ATOM 1487 CD GLN B 97 0.198 -3.116 4.098 1.00 0.00 C ATOM 1488 OE1 GLN B 97 -0.348 -3.083 5.180 1.00 0.00 O ATOM 1489 NE2 GLN B 97 -0.480 -3.466 3.041 1.00 0.00 N ATOM 0 H GLN B 97 1.872 -0.320 1.188 1.00 0.00 H new ATOM 0 HA GLN B 97 3.833 -1.635 3.059 1.00 0.00 H new ATOM 0 HB2 GLN B 97 1.270 -2.710 1.830 1.00 0.00 H new ATOM 0 HB3 GLN B 97 2.593 -3.770 2.272 1.00 0.00 H new ATOM 0 HG2 GLN B 97 2.284 -3.442 4.559 1.00 0.00 H new ATOM 0 HG3 GLN B 97 1.855 -1.754 4.367 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -0.024 -3.495 2.129 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -1.467 -3.711 3.126 1.00 0.00 H new ATOM 1498 N TRP B 98 5.060 -2.427 0.935 1.00 0.00 N ATOM 1499 CA TRP B 98 5.794 -2.608 -0.350 1.00 0.00 C ATOM 1500 C TRP B 98 6.575 -3.921 -0.343 1.00 0.00 C ATOM 1501 O TRP B 98 7.186 -4.280 0.644 1.00 0.00 O ATOM 1502 CB TRP B 98 6.771 -1.438 -0.509 1.00 0.00 C ATOM 1503 CG TRP B 98 6.019 -0.150 -0.409 1.00 0.00 C ATOM 1504 CD1 TRP B 98 5.683 0.473 0.745 1.00 0.00 C ATOM 1505 CD2 TRP B 98 5.506 0.676 -1.486 1.00 0.00 C ATOM 1506 NE1 TRP B 98 4.986 1.632 0.439 1.00 0.00 N ATOM 1507 CE2 TRP B 98 4.853 1.798 -0.925 1.00 0.00 C ATOM 1508 CE3 TRP B 98 5.542 0.558 -2.879 1.00 0.00 C ATOM 1509 CZ2 TRP B 98 4.255 2.769 -1.729 1.00 0.00 C ATOM 1510 CZ3 TRP B 98 4.946 1.528 -3.691 1.00 0.00 C ATOM 1511 CH2 TRP B 98 4.302 2.633 -3.120 1.00 0.00 C ATOM 0 H TRP B 98 5.554 -2.732 1.774 1.00 0.00 H new ATOM 0 HA TRP B 98 5.083 -2.636 -1.176 1.00 0.00 H new ATOM 0 HB2 TRP B 98 7.540 -1.484 0.262 1.00 0.00 H new ATOM 0 HB3 TRP B 98 7.280 -1.502 -1.471 1.00 0.00 H new ATOM 0 HD1 TRP B 98 5.919 0.125 1.740 1.00 0.00 H new ATOM 0 HE1 TRP B 98 4.618 2.281 1.135 1.00 0.00 H new ATOM 0 HE3 TRP B 98 6.035 -0.290 -3.332 1.00 0.00 H new ATOM 0 HZ2 TRP B 98 3.760 3.618 -1.281 1.00 0.00 H new ATOM 0 HZ3 TRP B 98 4.983 1.424 -4.765 1.00 0.00 H new ATOM 0 HH2 TRP B 98 3.843 3.378 -3.753 1.00 0.00 H new ATOM 1522 N HIS B 99 6.598 -4.631 -1.446 1.00 0.00 N ATOM 1523 CA HIS B 99 7.390 -5.892 -1.469 1.00 0.00 C ATOM 1524 C HIS B 99 8.819 -5.525 -1.086 1.00 0.00 C ATOM 1525 O HIS B 99 9.384 -4.589 -1.617 1.00 0.00 O ATOM 1526 CB HIS B 99 7.403 -6.511 -2.869 1.00 0.00 C ATOM 1527 CG HIS B 99 6.144 -7.295 -3.113 1.00 0.00 C ATOM 1528 ND1 HIS B 99 5.236 -6.939 -4.092 1.00 0.00 N ATOM 1529 CD2 HIS B 99 5.641 -8.430 -2.529 1.00 0.00 C ATOM 1530 CE1 HIS B 99 4.237 -7.841 -4.072 1.00 0.00 C ATOM 1531 NE2 HIS B 99 4.438 -8.773 -3.137 1.00 0.00 N ATOM 0 H HIS B 99 6.113 -4.396 -2.312 1.00 0.00 H new ATOM 0 HA HIS B 99 6.951 -6.616 -0.782 1.00 0.00 H new ATOM 0 HB2 HIS B 99 7.500 -5.726 -3.619 1.00 0.00 H new ATOM 0 HB3 HIS B 99 8.270 -7.163 -2.976 1.00 0.00 H new ATOM 0 HD2 HIS B 99 6.108 -8.974 -1.721 1.00 0.00 H new ATOM 0 HE1 HIS B 99 3.381 -7.814 -4.729 1.00 0.00 H new ATOM 0 HE2 HIS B 99 3.837 -9.567 -2.916 1.00 0.00 H new ATOM 1539 N VAL B 100 9.417 -6.237 -0.187 1.00 0.00 N ATOM 1540 CA VAL B 100 10.807 -5.902 0.199 1.00 0.00 C ATOM 1541 C VAL B 100 11.656 -5.846 -1.067 1.00 0.00 C ATOM 1542 O VAL B 100 12.766 -5.353 -1.070 1.00 0.00 O ATOM 1543 CB VAL B 100 11.335 -6.986 1.133 1.00 0.00 C ATOM 1544 CG1 VAL B 100 12.863 -6.963 1.144 1.00 0.00 C ATOM 1545 CG2 VAL B 100 10.800 -6.731 2.541 1.00 0.00 C ATOM 0 H VAL B 100 9.007 -7.035 0.298 1.00 0.00 H new ATOM 0 HA VAL B 100 10.845 -4.940 0.710 1.00 0.00 H new ATOM 0 HB VAL B 100 11.002 -7.964 0.786 1.00 0.00 H new ATOM 0 HG11 VAL B 100 13.234 -7.740 1.813 1.00 0.00 H new ATOM 0 HG12 VAL B 100 13.237 -7.143 0.136 1.00 0.00 H new ATOM 0 HG13 VAL B 100 13.210 -5.990 1.491 1.00 0.00 H new ATOM 0 HG21 VAL B 100 11.172 -7.501 3.217 1.00 0.00 H new ATOM 0 HG22 VAL B 100 11.135 -5.753 2.886 1.00 0.00 H new ATOM 0 HG23 VAL B 100 9.710 -6.757 2.526 1.00 0.00 H new ATOM 1555 N GLU B 101 11.136 -6.369 -2.137 1.00 0.00 N ATOM 1556 CA GLU B 101 11.892 -6.378 -3.415 1.00 0.00 C ATOM 1557 C GLU B 101 11.493 -5.182 -4.289 1.00 0.00 C ATOM 1558 O GLU B 101 12.264 -4.729 -5.112 1.00 0.00 O ATOM 1559 CB GLU B 101 11.583 -7.682 -4.159 1.00 0.00 C ATOM 1560 CG GLU B 101 12.158 -7.632 -5.578 1.00 0.00 C ATOM 1561 CD GLU B 101 13.642 -7.262 -5.518 1.00 0.00 C ATOM 1562 OE1 GLU B 101 14.405 -8.044 -4.974 1.00 0.00 O ATOM 1563 OE2 GLU B 101 13.989 -6.206 -6.017 1.00 0.00 O ATOM 0 H GLU B 101 10.210 -6.795 -2.181 1.00 0.00 H new ATOM 0 HA GLU B 101 12.958 -6.307 -3.201 1.00 0.00 H new ATOM 0 HB2 GLU B 101 12.007 -8.527 -3.617 1.00 0.00 H new ATOM 0 HB3 GLU B 101 10.505 -7.838 -4.201 1.00 0.00 H new ATOM 0 HG2 GLU B 101 12.033 -8.599 -6.066 1.00 0.00 H new ATOM 0 HG3 GLU B 101 11.614 -6.901 -6.176 1.00 0.00 H new ATOM 1570 N HIS B 102 10.295 -4.676 -4.139 1.00 0.00 N ATOM 1571 CA HIS B 102 9.865 -3.522 -4.992 1.00 0.00 C ATOM 1572 C HIS B 102 10.030 -2.202 -4.243 1.00 0.00 C ATOM 1573 O HIS B 102 9.877 -1.142 -4.817 1.00 0.00 O ATOM 1574 CB HIS B 102 8.400 -3.698 -5.409 1.00 0.00 C ATOM 1575 CG HIS B 102 8.269 -4.936 -6.257 1.00 0.00 C ATOM 1576 ND1 HIS B 102 7.103 -5.698 -6.312 1.00 0.00 N ATOM 1577 CD2 HIS B 102 9.156 -5.559 -7.102 1.00 0.00 C ATOM 1578 CE1 HIS B 102 7.329 -6.715 -7.163 1.00 0.00 C ATOM 1579 NE2 HIS B 102 8.560 -6.679 -7.669 1.00 0.00 N ATOM 0 H HIS B 102 9.600 -5.007 -3.470 1.00 0.00 H new ATOM 0 HA HIS B 102 10.496 -3.499 -5.880 1.00 0.00 H new ATOM 0 HB2 HIS B 102 7.766 -3.779 -4.526 1.00 0.00 H new ATOM 0 HB3 HIS B 102 8.061 -2.824 -5.966 1.00 0.00 H new ATOM 0 HD2 HIS B 102 10.165 -5.228 -7.296 1.00 0.00 H new ATOM 0 HE1 HIS B 102 6.598 -7.472 -7.407 1.00 0.00 H new ATOM 0 HE2 HIS B 102 8.977 -7.334 -8.331 1.00 0.00 H new ATOM 1587 N PHE B 103 10.372 -2.233 -2.987 1.00 0.00 N ATOM 1588 CA PHE B 103 10.573 -0.948 -2.271 1.00 0.00 C ATOM 1589 C PHE B 103 11.956 -0.448 -2.642 1.00 0.00 C ATOM 1590 O PHE B 103 12.957 -0.998 -2.230 1.00 0.00 O ATOM 1591 CB PHE B 103 10.471 -1.124 -0.757 1.00 0.00 C ATOM 1592 CG PHE B 103 10.337 0.242 -0.124 1.00 0.00 C ATOM 1593 CD1 PHE B 103 9.243 1.059 -0.443 1.00 0.00 C ATOM 1594 CD2 PHE B 103 11.314 0.703 0.769 1.00 0.00 C ATOM 1595 CE1 PHE B 103 9.129 2.331 0.126 1.00 0.00 C ATOM 1596 CE2 PHE B 103 11.194 1.978 1.339 1.00 0.00 C ATOM 1597 CZ PHE B 103 10.103 2.790 1.017 1.00 0.00 C ATOM 0 H PHE B 103 10.519 -3.077 -2.434 1.00 0.00 H new ATOM 0 HA PHE B 103 9.798 -0.237 -2.559 1.00 0.00 H new ATOM 0 HB2 PHE B 103 9.611 -1.744 -0.505 1.00 0.00 H new ATOM 0 HB3 PHE B 103 11.355 -1.634 -0.374 1.00 0.00 H new ATOM 0 HD1 PHE B 103 8.488 0.705 -1.129 1.00 0.00 H new ATOM 0 HD2 PHE B 103 12.158 0.077 1.018 1.00 0.00 H new ATOM 0 HE1 PHE B 103 8.287 2.960 -0.123 1.00 0.00 H new ATOM 0 HE2 PHE B 103 11.946 2.333 2.028 1.00 0.00 H new ATOM 0 HZ PHE B 103 10.013 3.772 1.457 1.00 0.00 H new ATOM 1607 N VAL B 104 12.021 0.557 -3.463 1.00 0.00 N ATOM 1608 CA VAL B 104 13.341 1.063 -3.919 1.00 0.00 C ATOM 1609 C VAL B 104 13.405 2.578 -3.833 1.00 0.00 C ATOM 1610 O VAL B 104 12.438 3.254 -3.541 1.00 0.00 O ATOM 1611 CB VAL B 104 13.530 0.673 -5.384 1.00 0.00 C ATOM 1612 CG1 VAL B 104 13.442 -0.851 -5.556 1.00 0.00 C ATOM 1613 CG2 VAL B 104 12.441 1.351 -6.220 1.00 0.00 C ATOM 0 H VAL B 104 11.213 1.053 -3.840 1.00 0.00 H new ATOM 0 HA VAL B 104 14.114 0.633 -3.282 1.00 0.00 H new ATOM 0 HB VAL B 104 14.516 0.998 -5.717 1.00 0.00 H new ATOM 0 HG11 VAL B 104 13.579 -1.107 -6.607 1.00 0.00 H new ATOM 0 HG12 VAL B 104 14.220 -1.330 -4.961 1.00 0.00 H new ATOM 0 HG13 VAL B 104 12.464 -1.199 -5.222 1.00 0.00 H new ATOM 0 HG21 VAL B 104 12.566 1.080 -7.268 1.00 0.00 H new ATOM 0 HG22 VAL B 104 11.460 1.024 -5.875 1.00 0.00 H new ATOM 0 HG23 VAL B 104 12.521 2.433 -6.113 1.00 0.00 H new ATOM 1623 N CYS B 105 14.556 3.105 -4.120 1.00 0.00 N ATOM 1624 CA CYS B 105 14.748 4.574 -4.108 1.00 0.00 C ATOM 1625 C CYS B 105 13.847 5.209 -5.167 1.00 0.00 C ATOM 1626 O CYS B 105 13.563 4.618 -6.190 1.00 0.00 O ATOM 1627 CB CYS B 105 16.209 4.866 -4.435 1.00 0.00 C ATOM 1628 SG CYS B 105 16.394 6.563 -5.033 1.00 0.00 S ATOM 0 H CYS B 105 15.388 2.569 -4.367 1.00 0.00 H new ATOM 0 HA CYS B 105 14.493 4.985 -3.131 1.00 0.00 H new ATOM 0 HB2 CYS B 105 16.824 4.717 -3.547 1.00 0.00 H new ATOM 0 HB3 CYS B 105 16.566 4.166 -5.191 1.00 0.00 H new ATOM 1633 N ALA B 106 13.392 6.405 -4.930 1.00 0.00 N ATOM 1634 CA ALA B 106 12.508 7.075 -5.919 1.00 0.00 C ATOM 1635 C ALA B 106 13.354 7.914 -6.884 1.00 0.00 C ATOM 1636 O ALA B 106 12.903 8.907 -7.417 1.00 0.00 O ATOM 1637 CB ALA B 106 11.530 7.973 -5.166 1.00 0.00 C ATOM 0 H ALA B 106 13.595 6.949 -4.091 1.00 0.00 H new ATOM 0 HA ALA B 106 11.958 6.331 -6.495 1.00 0.00 H new ATOM 0 HB1 ALA B 106 10.873 8.473 -5.878 1.00 0.00 H new ATOM 0 HB2 ALA B 106 10.933 7.369 -4.483 1.00 0.00 H new ATOM 0 HB3 ALA B 106 12.085 8.720 -4.598 1.00 0.00 H new ATOM 1643 N LYS B 107 14.580 7.515 -7.113 1.00 0.00 N ATOM 1644 CA LYS B 107 15.465 8.283 -8.046 1.00 0.00 C ATOM 1645 C LYS B 107 16.270 7.317 -8.921 1.00 0.00 C ATOM 1646 O LYS B 107 16.606 7.625 -10.048 1.00 0.00 O ATOM 1647 CB LYS B 107 16.447 9.138 -7.237 1.00 0.00 C ATOM 1648 CG LYS B 107 17.304 9.993 -8.181 1.00 0.00 C ATOM 1649 CD LYS B 107 16.404 10.927 -9.003 1.00 0.00 C ATOM 1650 CE LYS B 107 17.164 12.216 -9.337 1.00 0.00 C ATOM 1651 NZ LYS B 107 17.110 13.139 -8.167 1.00 0.00 N ATOM 0 H LYS B 107 15.008 6.689 -6.694 1.00 0.00 H new ATOM 0 HA LYS B 107 14.841 8.918 -8.675 1.00 0.00 H new ATOM 0 HB2 LYS B 107 15.899 9.781 -6.548 1.00 0.00 H new ATOM 0 HB3 LYS B 107 17.088 8.496 -6.633 1.00 0.00 H new ATOM 0 HG2 LYS B 107 18.021 10.578 -7.605 1.00 0.00 H new ATOM 0 HG3 LYS B 107 17.879 9.350 -8.847 1.00 0.00 H new ATOM 0 HD2 LYS B 107 16.090 10.430 -9.921 1.00 0.00 H new ATOM 0 HD3 LYS B 107 15.499 11.162 -8.443 1.00 0.00 H new ATOM 0 HE2 LYS B 107 18.200 11.986 -9.586 1.00 0.00 H new ATOM 0 HE3 LYS B 107 16.724 12.694 -10.212 1.00 0.00 H new ATOM 0 HZ1 LYS B 107 17.193 14.122 -8.496 1.00 0.00 H new ATOM 0 HZ2 LYS B 107 16.205 13.016 -7.669 1.00 0.00 H new ATOM 0 HZ3 LYS B 107 17.894 12.924 -7.519 1.00 0.00 H new ATOM 1665 N CYS B 108 16.599 6.164 -8.404 1.00 0.00 N ATOM 1666 CA CYS B 108 17.410 5.189 -9.197 1.00 0.00 C ATOM 1667 C CYS B 108 16.740 3.817 -9.187 1.00 0.00 C ATOM 1668 O CYS B 108 17.065 2.954 -9.976 1.00 0.00 O ATOM 1669 CB CYS B 108 18.792 5.077 -8.563 1.00 0.00 C ATOM 1670 SG CYS B 108 18.619 4.382 -6.905 1.00 0.00 S ATOM 0 H CYS B 108 16.342 5.853 -7.467 1.00 0.00 H new ATOM 0 HA CYS B 108 17.491 5.535 -10.227 1.00 0.00 H new ATOM 0 HB2 CYS B 108 19.436 4.443 -9.172 1.00 0.00 H new ATOM 0 HB3 CYS B 108 19.265 6.058 -8.513 1.00 0.00 H new ATOM 1675 N GLU B 109 15.811 3.605 -8.296 1.00 0.00 N ATOM 1676 CA GLU B 109 15.119 2.295 -8.228 1.00 0.00 C ATOM 1677 C GLU B 109 16.061 1.229 -7.674 1.00 0.00 C ATOM 1678 O GLU B 109 16.157 0.140 -8.197 1.00 0.00 O ATOM 1679 CB GLU B 109 14.622 1.877 -9.619 1.00 0.00 C ATOM 1680 CG GLU B 109 14.068 3.099 -10.365 1.00 0.00 C ATOM 1681 CD GLU B 109 12.995 2.651 -11.361 1.00 0.00 C ATOM 1682 OE1 GLU B 109 11.871 2.444 -10.939 1.00 0.00 O ATOM 1683 OE2 GLU B 109 13.320 2.522 -12.531 1.00 0.00 O ATOM 0 H GLU B 109 15.502 4.292 -7.608 1.00 0.00 H new ATOM 0 HA GLU B 109 14.261 2.394 -7.563 1.00 0.00 H new ATOM 0 HB2 GLU B 109 15.438 1.432 -10.188 1.00 0.00 H new ATOM 0 HB3 GLU B 109 13.848 1.116 -9.524 1.00 0.00 H new ATOM 0 HG2 GLU B 109 13.645 3.810 -9.655 1.00 0.00 H new ATOM 0 HG3 GLU B 109 14.873 3.613 -10.890 1.00 0.00 H new ATOM 1690 N LYS B 110 16.734 1.530 -6.591 1.00 0.00 N ATOM 1691 CA LYS B 110 17.642 0.523 -5.969 1.00 0.00 C ATOM 1692 C LYS B 110 16.910 -0.078 -4.760 1.00 0.00 C ATOM 1693 O LYS B 110 16.692 0.610 -3.782 1.00 0.00 O ATOM 1694 CB LYS B 110 18.934 1.204 -5.507 1.00 0.00 C ATOM 1695 CG LYS B 110 20.026 0.146 -5.290 1.00 0.00 C ATOM 1696 CD LYS B 110 20.066 -0.267 -3.817 1.00 0.00 C ATOM 1697 CE LYS B 110 21.174 -1.302 -3.606 1.00 0.00 C ATOM 1698 NZ LYS B 110 22.453 -0.779 -4.163 1.00 0.00 N ATOM 0 H LYS B 110 16.692 2.430 -6.112 1.00 0.00 H new ATOM 0 HA LYS B 110 17.900 -0.255 -6.687 1.00 0.00 H new ATOM 0 HB2 LYS B 110 19.260 1.930 -6.251 1.00 0.00 H new ATOM 0 HB3 LYS B 110 18.757 1.753 -4.582 1.00 0.00 H new ATOM 0 HG2 LYS B 110 19.830 -0.725 -5.916 1.00 0.00 H new ATOM 0 HG3 LYS B 110 20.995 0.544 -5.592 1.00 0.00 H new ATOM 0 HD2 LYS B 110 20.245 0.606 -3.189 1.00 0.00 H new ATOM 0 HD3 LYS B 110 19.104 -0.683 -3.519 1.00 0.00 H new ATOM 0 HE2 LYS B 110 21.288 -1.517 -2.544 1.00 0.00 H new ATOM 0 HE3 LYS B 110 20.909 -2.240 -4.094 1.00 0.00 H new ATOM 0 HZ1 LYS B 110 23.253 -1.282 -3.728 1.00 0.00 H new ATOM 0 HZ2 LYS B 110 22.470 -0.927 -5.192 1.00 0.00 H new ATOM 0 HZ3 LYS B 110 22.531 0.238 -3.959 1.00 0.00 H new ATOM 1712 N PRO B 111 16.508 -1.326 -4.864 1.00 0.00 N ATOM 1713 CA PRO B 111 15.752 -1.990 -3.788 1.00 0.00 C ATOM 1714 C PRO B 111 16.608 -2.233 -2.552 1.00 0.00 C ATOM 1715 O PRO B 111 17.742 -2.659 -2.630 1.00 0.00 O ATOM 1716 CB PRO B 111 15.312 -3.330 -4.384 1.00 0.00 C ATOM 1717 CG PRO B 111 16.013 -3.484 -5.751 1.00 0.00 C ATOM 1718 CD PRO B 111 16.766 -2.174 -6.044 1.00 0.00 C ATOM 0 HA PRO B 111 14.917 -1.371 -3.461 1.00 0.00 H new ATOM 0 HB2 PRO B 111 15.582 -4.152 -3.720 1.00 0.00 H new ATOM 0 HB3 PRO B 111 14.229 -3.359 -4.503 1.00 0.00 H new ATOM 0 HG2 PRO B 111 16.705 -4.326 -5.733 1.00 0.00 H new ATOM 0 HG3 PRO B 111 15.283 -3.688 -6.534 1.00 0.00 H new ATOM 0 HD2 PRO B 111 17.833 -2.351 -6.179 1.00 0.00 H new ATOM 0 HD3 PRO B 111 16.403 -1.703 -6.958 1.00 0.00 H new ATOM 1726 N PHE B 112 16.037 -1.998 -1.410 1.00 0.00 N ATOM 1727 CA PHE B 112 16.773 -2.246 -0.134 1.00 0.00 C ATOM 1728 C PHE B 112 16.402 -3.630 0.393 1.00 0.00 C ATOM 1729 O PHE B 112 15.930 -3.770 1.505 1.00 0.00 O ATOM 1730 CB PHE B 112 17.211 -1.082 1.612 1.00 0.00 C ATOM 1731 CG PHE B 112 16.119 0.117 0.245 1.00 0.00 C ATOM 1732 CD1 PHE B 112 14.870 0.358 -0.333 1.00 0.00 C ATOM 1733 CD2 PHE B 112 17.109 1.102 0.213 1.00 0.00 C ATOM 1734 CE1 PHE B 112 14.612 1.591 -0.947 1.00 0.00 C ATOM 1735 CE2 PHE B 112 16.855 2.329 -0.399 1.00 0.00 C ATOM 1736 CZ PHE B 112 15.606 2.577 -0.978 1.00 0.00 C ATOM 0 H PHE B 112 15.087 -1.643 -1.299 1.00 0.00 H new ATOM 0 HA PHE B 112 17.672 -1.912 -0.651 1.00 0.00 H new ATOM 0 HB2 PHE B 112 16.747 -1.357 2.559 1.00 0.00 H new ATOM 0 HB3 PHE B 112 18.248 -0.825 1.828 1.00 0.00 H new ATOM 0 HD1 PHE B 112 14.105 -0.404 -0.307 1.00 0.00 H new ATOM 0 HD2 PHE B 112 18.072 0.913 0.663 1.00 0.00 H new ATOM 0 HE1 PHE B 112 13.648 1.781 -1.396 1.00 0.00 H new ATOM 0 HE2 PHE B 112 17.623 3.088 -0.426 1.00 0.00 H new ATOM 0 HZ PHE B 112 15.408 3.529 -1.449 1.00 0.00 H new ATOM 1745 N LEU B 113 16.606 -4.653 -0.388 1.00 0.00 N ATOM 1746 CA LEU B 113 16.256 -6.029 0.080 1.00 0.00 C ATOM 1747 C LEU B 113 16.626 -6.162 1.557 1.00 0.00 C ATOM 1748 O LEU B 113 15.806 -6.491 2.390 1.00 0.00 O ATOM 1749 CB LEU B 113 17.051 -7.055 -0.733 1.00 0.00 C ATOM 1750 CG LEU B 113 16.278 -7.407 -2.009 1.00 0.00 C ATOM 1751 CD1 LEU B 113 16.041 -6.137 -2.805 1.00 0.00 C ATOM 1752 CD2 LEU B 113 17.084 -8.390 -2.856 1.00 0.00 C ATOM 0 H LEU B 113 16.999 -4.600 -1.328 1.00 0.00 H new ATOM 0 HA LEU B 113 15.188 -6.204 -0.051 1.00 0.00 H new ATOM 0 HB2 LEU B 113 18.031 -6.652 -0.988 1.00 0.00 H new ATOM 0 HB3 LEU B 113 17.221 -7.953 -0.139 1.00 0.00 H new ATOM 0 HG LEU B 113 15.327 -7.867 -1.741 1.00 0.00 H new ATOM 0 HD11 LEU B 113 15.491 -6.376 -3.716 1.00 0.00 H new ATOM 0 HD12 LEU B 113 15.462 -5.434 -2.205 1.00 0.00 H new ATOM 0 HD13 LEU B 113 16.999 -5.687 -3.067 1.00 0.00 H new ATOM 0 HD21 LEU B 113 16.526 -8.634 -3.760 1.00 0.00 H new ATOM 0 HD22 LEU B 113 18.038 -7.938 -3.129 1.00 0.00 H new ATOM 0 HD23 LEU B 113 17.264 -9.300 -2.284 1.00 0.00 H new ATOM 1764 N GLY B 114 17.856 -5.892 1.879 1.00 0.00 N ATOM 1765 CA GLY B 114 18.306 -5.977 3.296 1.00 0.00 C ATOM 1766 C GLY B 114 19.148 -4.746 3.625 1.00 0.00 C ATOM 1767 O GLY B 114 20.056 -4.799 4.431 1.00 0.00 O ATOM 0 H GLY B 114 18.578 -5.613 1.215 1.00 0.00 H new ATOM 0 HA2 GLY B 114 17.445 -6.033 3.962 1.00 0.00 H new ATOM 0 HA3 GLY B 114 18.889 -6.885 3.452 1.00 0.00 H new ATOM 1771 N HIS B 115 18.856 -3.636 2.999 1.00 0.00 N ATOM 1772 CA HIS B 115 19.641 -2.390 3.260 1.00 0.00 C ATOM 1773 C HIS B 115 18.737 -1.319 3.876 1.00 0.00 C ATOM 1774 O HIS B 115 17.555 -1.527 4.073 1.00 0.00 O ATOM 1775 CB HIS B 115 20.224 -1.869 1.939 1.00 0.00 C ATOM 1776 CG HIS B 115 20.525 -3.024 1.027 1.00 0.00 C ATOM 1777 ND1 HIS B 115 20.289 -2.970 -0.339 1.00 0.00 N ATOM 1778 CD2 HIS B 115 21.039 -4.272 1.267 1.00 0.00 C ATOM 1779 CE1 HIS B 115 20.660 -4.154 -0.862 1.00 0.00 C ATOM 1780 NE2 HIS B 115 21.126 -4.985 0.075 1.00 0.00 N ATOM 0 H HIS B 115 18.105 -3.537 2.316 1.00 0.00 H new ATOM 0 HA HIS B 115 20.449 -2.616 3.955 1.00 0.00 H new ATOM 0 HB2 HIS B 115 19.517 -1.191 1.461 1.00 0.00 H new ATOM 0 HB3 HIS B 115 21.133 -1.299 2.131 1.00 0.00 H new ATOM 0 HD2 HIS B 115 21.333 -4.646 2.237 1.00 0.00 H new ATOM 0 HE1 HIS B 115 20.590 -4.402 -1.911 1.00 0.00 H new ATOM 0 HE2 HIS B 115 21.471 -5.936 -0.055 1.00 0.00 H new ATOM 1788 N ARG B 116 19.289 -0.176 4.182 1.00 0.00 N ATOM 1789 CA ARG B 116 18.475 0.921 4.786 1.00 0.00 C ATOM 1790 C ARG B 116 17.982 1.857 3.678 1.00 0.00 C ATOM 1791 O ARG B 116 18.673 2.096 2.708 1.00 0.00 O ATOM 1792 CB ARG B 116 19.347 1.709 5.773 1.00 0.00 C ATOM 1793 CG ARG B 116 18.699 3.064 6.084 1.00 0.00 C ATOM 1794 CD ARG B 116 19.372 3.687 7.308 1.00 0.00 C ATOM 1795 NE ARG B 116 18.602 4.889 7.741 1.00 0.00 N ATOM 1796 CZ ARG B 116 18.807 5.405 8.921 1.00 0.00 C ATOM 1797 NH1 ARG B 116 19.686 4.870 9.724 1.00 0.00 N ATOM 1798 NH2 ARG B 116 18.132 6.457 9.300 1.00 0.00 N ATOM 0 H ARG B 116 20.274 0.047 4.039 1.00 0.00 H new ATOM 0 HA ARG B 116 17.618 0.499 5.311 1.00 0.00 H new ATOM 0 HB2 ARG B 116 19.475 1.139 6.693 1.00 0.00 H new ATOM 0 HB3 ARG B 116 20.341 1.861 5.351 1.00 0.00 H new ATOM 0 HG2 ARG B 116 18.795 3.729 5.226 1.00 0.00 H new ATOM 0 HG3 ARG B 116 17.633 2.934 6.270 1.00 0.00 H new ATOM 0 HD2 ARG B 116 19.419 2.961 8.119 1.00 0.00 H new ATOM 0 HD3 ARG B 116 20.398 3.966 7.069 1.00 0.00 H new ATOM 0 HE ARG B 116 17.915 5.307 7.114 1.00 0.00 H new ATOM 0 HH11 ARG B 116 20.213 4.048 9.429 1.00 0.00 H new ATOM 0 HH12 ARG B 116 19.846 5.274 10.647 1.00 0.00 H new ATOM 0 HH21 ARG B 116 17.445 6.875 8.673 1.00 0.00 H new ATOM 0 HH22 ARG B 116 18.292 6.861 10.223 1.00 0.00 H new ATOM 1812 N HIS B 117 16.800 2.400 3.824 1.00 0.00 N ATOM 1813 CA HIS B 117 16.272 3.334 2.785 1.00 0.00 C ATOM 1814 C HIS B 117 16.090 4.719 3.388 1.00 0.00 C ATOM 1815 O HIS B 117 16.191 4.911 4.584 1.00 0.00 O ATOM 1816 CB HIS B 117 14.923 2.845 2.266 1.00 0.00 C ATOM 1817 CG HIS B 117 14.080 2.386 3.420 1.00 0.00 C ATOM 1818 ND1 HIS B 117 14.131 1.087 3.906 1.00 0.00 N ATOM 1819 CD2 HIS B 117 13.159 3.041 4.198 1.00 0.00 C ATOM 1820 CE1 HIS B 117 13.263 1.004 4.933 1.00 0.00 C ATOM 1821 NE2 HIS B 117 12.644 2.169 5.154 1.00 0.00 N ATOM 0 H HIS B 117 16.179 2.237 4.617 1.00 0.00 H new ATOM 0 HA HIS B 117 16.985 3.373 1.961 1.00 0.00 H new ATOM 0 HB2 HIS B 117 14.416 3.646 1.728 1.00 0.00 H new ATOM 0 HB3 HIS B 117 15.068 2.028 1.560 1.00 0.00 H new ATOM 0 HD2 HIS B 117 12.876 4.077 4.086 1.00 0.00 H new ATOM 0 HE1 HIS B 117 13.088 0.106 5.508 1.00 0.00 H new ATOM 0 HE2 HIS B 117 11.946 2.374 5.868 1.00 0.00 H new ATOM 1829 N TYR B 118 15.838 5.686 2.557 1.00 0.00 N ATOM 1830 CA TYR B 118 15.664 7.075 3.043 1.00 0.00 C ATOM 1831 C TYR B 118 14.403 7.672 2.403 1.00 0.00 C ATOM 1832 O TYR B 118 14.134 7.464 1.237 1.00 0.00 O ATOM 1833 CB TYR B 118 16.917 7.854 2.652 1.00 0.00 C ATOM 1834 CG TYR B 118 18.121 7.021 3.047 1.00 0.00 C ATOM 1835 CD1 TYR B 118 18.416 5.837 2.351 1.00 0.00 C ATOM 1836 CD2 TYR B 118 18.922 7.407 4.126 1.00 0.00 C ATOM 1837 CE1 TYR B 118 19.504 5.049 2.736 1.00 0.00 C ATOM 1838 CE2 TYR B 118 20.008 6.612 4.511 1.00 0.00 C ATOM 1839 CZ TYR B 118 20.295 5.435 3.818 1.00 0.00 C ATOM 1840 OH TYR B 118 21.362 4.651 4.208 1.00 0.00 O ATOM 0 H TYR B 118 15.744 5.570 1.548 1.00 0.00 H new ATOM 0 HA TYR B 118 15.538 7.116 4.125 1.00 0.00 H new ATOM 0 HB2 TYR B 118 16.925 8.053 1.580 1.00 0.00 H new ATOM 0 HB3 TYR B 118 16.939 8.820 3.156 1.00 0.00 H new ATOM 0 HD1 TYR B 118 17.801 5.535 1.516 1.00 0.00 H new ATOM 0 HD2 TYR B 118 18.703 8.318 4.662 1.00 0.00 H new ATOM 0 HE1 TYR B 118 19.732 4.142 2.196 1.00 0.00 H new ATOM 0 HE2 TYR B 118 20.625 6.910 5.346 1.00 0.00 H new ATOM 0 HH TYR B 118 21.422 3.866 3.624 1.00 0.00 H new ATOM 1850 N GLU B 119 13.612 8.382 3.166 1.00 0.00 N ATOM 1851 CA GLU B 119 12.340 8.953 2.617 1.00 0.00 C ATOM 1852 C GLU B 119 12.451 10.465 2.423 1.00 0.00 C ATOM 1853 O GLU B 119 13.124 11.155 3.160 1.00 0.00 O ATOM 1854 CB GLU B 119 11.199 8.659 3.595 1.00 0.00 C ATOM 1855 CG GLU B 119 10.675 7.243 3.361 1.00 0.00 C ATOM 1856 CD GLU B 119 9.724 6.853 4.495 1.00 0.00 C ATOM 1857 OE1 GLU B 119 8.546 7.143 4.379 1.00 0.00 O ATOM 1858 OE2 GLU B 119 10.193 6.273 5.462 1.00 0.00 O ATOM 0 H GLU B 119 13.791 8.593 4.148 1.00 0.00 H new ATOM 0 HA GLU B 119 12.145 8.494 1.648 1.00 0.00 H new ATOM 0 HB2 GLU B 119 11.551 8.762 4.621 1.00 0.00 H new ATOM 0 HB3 GLU B 119 10.395 9.382 3.459 1.00 0.00 H new ATOM 0 HG2 GLU B 119 10.157 7.190 2.404 1.00 0.00 H new ATOM 0 HG3 GLU B 119 11.507 6.540 3.312 1.00 0.00 H new ATOM 1865 N ARG B 120 11.769 10.980 1.435 1.00 0.00 N ATOM 1866 CA ARG B 120 11.803 12.450 1.183 1.00 0.00 C ATOM 1867 C ARG B 120 10.500 12.907 0.517 1.00 0.00 C ATOM 1868 O ARG B 120 10.065 12.357 -0.474 1.00 0.00 O ATOM 1869 CB ARG B 120 12.972 12.799 0.267 1.00 0.00 C ATOM 1870 CG ARG B 120 13.078 14.326 0.120 1.00 0.00 C ATOM 1871 CD ARG B 120 12.997 14.713 -1.358 1.00 0.00 C ATOM 1872 NE ARG B 120 11.807 14.073 -1.985 1.00 0.00 N ATOM 1873 CZ ARG B 120 11.388 14.477 -3.154 1.00 0.00 C ATOM 1874 NH1 ARG B 120 12.013 15.439 -3.773 1.00 0.00 N ATOM 1875 NH2 ARG B 120 10.344 13.916 -3.701 1.00 0.00 N ATOM 0 H ARG B 120 11.188 10.444 0.790 1.00 0.00 H new ATOM 0 HA ARG B 120 11.921 12.957 2.141 1.00 0.00 H new ATOM 0 HB2 ARG B 120 13.899 12.398 0.676 1.00 0.00 H new ATOM 0 HB3 ARG B 120 12.830 12.339 -0.711 1.00 0.00 H new ATOM 0 HG2 ARG B 120 12.276 14.810 0.676 1.00 0.00 H new ATOM 0 HG3 ARG B 120 14.018 14.677 0.546 1.00 0.00 H new ATOM 0 HD2 ARG B 120 12.932 15.797 -1.456 1.00 0.00 H new ATOM 0 HD3 ARG B 120 13.904 14.400 -1.875 1.00 0.00 H new ATOM 0 HE ARG B 120 11.319 13.319 -1.501 1.00 0.00 H new ATOM 0 HH11 ARG B 120 12.829 15.876 -3.344 1.00 0.00 H new ATOM 0 HH12 ARG B 120 11.686 15.755 -4.686 1.00 0.00 H new ATOM 0 HH21 ARG B 120 9.857 13.163 -3.215 1.00 0.00 H new ATOM 0 HH22 ARG B 120 10.016 14.231 -4.614 1.00 0.00 H new ATOM 1889 N LYS B 121 9.888 13.924 1.058 1.00 0.00 N ATOM 1890 CA LYS B 121 8.622 14.450 0.482 1.00 0.00 C ATOM 1891 C LYS B 121 7.641 13.310 0.288 1.00 0.00 C ATOM 1892 O LYS B 121 6.726 13.388 -0.508 1.00 0.00 O ATOM 1893 CB LYS B 121 8.899 15.121 -0.864 1.00 0.00 C ATOM 1894 CG LYS B 121 9.708 16.405 -0.645 1.00 0.00 C ATOM 1895 CD LYS B 121 9.661 17.259 -1.913 1.00 0.00 C ATOM 1896 CE LYS B 121 10.423 18.564 -1.677 1.00 0.00 C ATOM 1897 NZ LYS B 121 9.635 19.441 -0.764 1.00 0.00 N ATOM 0 H LYS B 121 10.218 14.419 1.887 1.00 0.00 H new ATOM 0 HA LYS B 121 8.197 15.185 1.166 1.00 0.00 H new ATOM 0 HB2 LYS B 121 9.448 14.440 -1.514 1.00 0.00 H new ATOM 0 HB3 LYS B 121 7.960 15.353 -1.366 1.00 0.00 H new ATOM 0 HG2 LYS B 121 9.302 16.964 0.198 1.00 0.00 H new ATOM 0 HG3 LYS B 121 10.741 16.159 -0.397 1.00 0.00 H new ATOM 0 HD2 LYS B 121 10.102 16.714 -2.748 1.00 0.00 H new ATOM 0 HD3 LYS B 121 8.627 17.473 -2.182 1.00 0.00 H new ATOM 0 HE2 LYS B 121 11.400 18.354 -1.243 1.00 0.00 H new ATOM 0 HE3 LYS B 121 10.598 19.072 -2.625 1.00 0.00 H new ATOM 0 HZ1 LYS B 121 9.991 20.416 -0.827 1.00 0.00 H new ATOM 0 HZ2 LYS B 121 8.633 19.419 -1.041 1.00 0.00 H new ATOM 0 HZ3 LYS B 121 9.731 19.100 0.214 1.00 0.00 H new ATOM 1911 N GLY B 122 7.814 12.249 1.016 1.00 0.00 N ATOM 1912 CA GLY B 122 6.879 11.109 0.876 1.00 0.00 C ATOM 1913 C GLY B 122 7.343 10.197 -0.252 1.00 0.00 C ATOM 1914 O GLY B 122 6.556 9.559 -0.920 1.00 0.00 O ATOM 0 H GLY B 122 8.560 12.123 1.700 1.00 0.00 H new ATOM 0 HA2 GLY B 122 6.830 10.550 1.811 1.00 0.00 H new ATOM 0 HA3 GLY B 122 5.873 11.475 0.670 1.00 0.00 H new ATOM 1918 N LEU B 123 8.624 10.128 -0.460 1.00 0.00 N ATOM 1919 CA LEU B 123 9.167 9.253 -1.532 1.00 0.00 C ATOM 1920 C LEU B 123 10.479 8.643 -1.051 1.00 0.00 C ATOM 1921 O LEU B 123 11.252 9.273 -0.360 1.00 0.00 O ATOM 1922 CB LEU B 123 9.416 10.065 -2.805 1.00 0.00 C ATOM 1923 CG LEU B 123 8.117 10.217 -3.597 1.00 0.00 C ATOM 1924 CD1 LEU B 123 8.397 11.071 -4.836 1.00 0.00 C ATOM 1925 CD2 LEU B 123 7.601 8.834 -4.025 1.00 0.00 C ATOM 0 H LEU B 123 9.325 10.645 0.071 1.00 0.00 H new ATOM 0 HA LEU B 123 8.447 8.466 -1.756 1.00 0.00 H new ATOM 0 HB2 LEU B 123 9.810 11.048 -2.547 1.00 0.00 H new ATOM 0 HB3 LEU B 123 10.169 9.571 -3.419 1.00 0.00 H new ATOM 0 HG LEU B 123 7.359 10.697 -2.977 1.00 0.00 H new ATOM 0 HD11 LEU B 123 7.479 11.189 -5.412 1.00 0.00 H new ATOM 0 HD12 LEU B 123 8.760 12.051 -4.528 1.00 0.00 H new ATOM 0 HD13 LEU B 123 9.152 10.582 -5.452 1.00 0.00 H new ATOM 0 HD21 LEU B 123 6.675 8.950 -4.589 1.00 0.00 H new ATOM 0 HD22 LEU B 123 8.348 8.344 -4.650 1.00 0.00 H new ATOM 0 HD23 LEU B 123 7.413 8.226 -3.140 1.00 0.00 H new ATOM 1937 N ALA B 124 10.725 7.412 -1.398 1.00 0.00 N ATOM 1938 CA ALA B 124 11.976 6.757 -0.939 1.00 0.00 C ATOM 1939 C ALA B 124 13.169 7.249 -1.746 1.00 0.00 C ATOM 1940 O ALA B 124 13.051 7.635 -2.892 1.00 0.00 O ATOM 1941 CB ALA B 124 11.864 5.246 -1.128 1.00 0.00 C ATOM 0 H ALA B 124 10.116 6.834 -1.977 1.00 0.00 H new ATOM 0 HA ALA B 124 12.120 7.003 0.113 1.00 0.00 H new ATOM 0 HB1 ALA B 124 12.784 4.768 -0.790 1.00 0.00 H new ATOM 0 HB2 ALA B 124 11.024 4.868 -0.546 1.00 0.00 H new ATOM 0 HB3 ALA B 124 11.705 5.022 -2.183 1.00 0.00 H new ATOM 1947 N TYR B 125 14.328 7.213 -1.153 1.00 0.00 N ATOM 1948 CA TYR B 125 15.548 7.644 -1.870 1.00 0.00 C ATOM 1949 C TYR B 125 16.744 6.931 -1.266 1.00 0.00 C ATOM 1950 O TYR B 125 16.826 6.769 -0.071 1.00 0.00 O ATOM 1951 CB TYR B 125 15.736 9.146 -1.716 1.00 0.00 C ATOM 1952 CG TYR B 125 14.769 9.854 -2.615 1.00 0.00 C ATOM 1953 CD1 TYR B 125 15.068 10.022 -3.969 1.00 0.00 C ATOM 1954 CD2 TYR B 125 13.574 10.342 -2.093 1.00 0.00 C ATOM 1955 CE1 TYR B 125 14.153 10.682 -4.805 1.00 0.00 C ATOM 1956 CE2 TYR B 125 12.671 10.998 -2.917 1.00 0.00 C ATOM 1957 CZ TYR B 125 12.953 11.169 -4.275 1.00 0.00 C ATOM 1958 OH TYR B 125 12.053 11.822 -5.092 1.00 0.00 O ATOM 0 H TYR B 125 14.479 6.900 -0.194 1.00 0.00 H new ATOM 0 HA TYR B 125 15.455 7.401 -2.928 1.00 0.00 H new ATOM 0 HB2 TYR B 125 15.572 9.442 -0.680 1.00 0.00 H new ATOM 0 HB3 TYR B 125 16.759 9.425 -1.969 1.00 0.00 H new ATOM 0 HD1 TYR B 125 15.998 9.646 -4.371 1.00 0.00 H new ATOM 0 HD2 TYR B 125 13.350 10.210 -1.045 1.00 0.00 H new ATOM 0 HE1 TYR B 125 14.375 10.813 -5.854 1.00 0.00 H new ATOM 0 HE2 TYR B 125 11.747 11.378 -2.507 1.00 0.00 H new ATOM 0 HH TYR B 125 11.143 11.680 -4.756 1.00 0.00 H new ATOM 1968 N CYS B 126 17.674 6.506 -2.061 1.00 0.00 N ATOM 1969 CA CYS B 126 18.843 5.818 -1.470 1.00 0.00 C ATOM 1970 C CYS B 126 19.505 6.764 -0.463 1.00 0.00 C ATOM 1971 O CYS B 126 19.102 7.900 -0.308 1.00 0.00 O ATOM 1972 CB CYS B 126 19.870 5.478 -2.552 1.00 0.00 C ATOM 1973 SG CYS B 126 19.211 4.211 -3.651 1.00 0.00 S ATOM 0 H CYS B 126 17.678 6.602 -3.076 1.00 0.00 H new ATOM 0 HA CYS B 126 18.508 4.899 -0.990 1.00 0.00 H new ATOM 0 HB2 CYS B 126 20.119 6.373 -3.123 1.00 0.00 H new ATOM 0 HB3 CYS B 126 20.793 5.127 -2.091 1.00 0.00 H new ATOM 1978 N GLU B 127 20.528 6.313 0.200 1.00 0.00 N ATOM 1979 CA GLU B 127 21.236 7.192 1.178 1.00 0.00 C ATOM 1980 C GLU B 127 21.858 8.377 0.435 1.00 0.00 C ATOM 1981 O GLU B 127 21.934 9.478 0.947 1.00 0.00 O ATOM 1982 CB GLU B 127 22.365 6.405 1.849 1.00 0.00 C ATOM 1983 CG GLU B 127 22.953 7.224 3.002 1.00 0.00 C ATOM 1984 CD GLU B 127 23.785 6.312 3.906 1.00 0.00 C ATOM 1985 OE1 GLU B 127 24.212 5.273 3.432 1.00 0.00 O ATOM 1986 OE2 GLU B 127 23.979 6.667 5.056 1.00 0.00 O ATOM 0 H GLU B 127 20.909 5.371 0.110 1.00 0.00 H new ATOM 0 HA GLU B 127 20.523 7.542 1.925 1.00 0.00 H new ATOM 0 HB2 GLU B 127 21.986 5.454 2.223 1.00 0.00 H new ATOM 0 HB3 GLU B 127 23.143 6.174 1.121 1.00 0.00 H new ATOM 0 HG2 GLU B 127 23.574 8.029 2.610 1.00 0.00 H new ATOM 0 HG3 GLU B 127 22.152 7.690 3.576 1.00 0.00 H new ATOM 1993 N THR B 128 22.334 8.146 -0.755 1.00 0.00 N ATOM 1994 CA THR B 128 22.993 9.233 -1.535 1.00 0.00 C ATOM 1995 C THR B 128 21.973 10.040 -2.331 1.00 0.00 C ATOM 1996 O THR B 128 22.037 11.250 -2.371 1.00 0.00 O ATOM 1997 CB THR B 128 24.013 8.619 -2.496 1.00 0.00 C ATOM 1998 OG1 THR B 128 25.045 7.992 -1.748 1.00 0.00 O ATOM 1999 CG2 THR B 128 24.613 9.715 -3.378 1.00 0.00 C ATOM 0 H THR B 128 22.295 7.242 -1.227 1.00 0.00 H new ATOM 0 HA THR B 128 23.489 9.904 -0.834 1.00 0.00 H new ATOM 0 HB THR B 128 23.519 7.880 -3.127 1.00 0.00 H new ATOM 0 HG1 THR B 128 25.699 7.596 -2.361 1.00 0.00 H new ATOM 0 HG21 THR B 128 25.339 9.275 -4.062 1.00 0.00 H new ATOM 0 HG22 THR B 128 23.820 10.196 -3.951 1.00 0.00 H new ATOM 0 HG23 THR B 128 25.108 10.456 -2.751 1.00 0.00 H new ATOM 2007 N HIS B 129 21.039 9.403 -2.971 1.00 0.00 N ATOM 2008 CA HIS B 129 20.054 10.174 -3.757 1.00 0.00 C ATOM 2009 C HIS B 129 19.215 10.987 -2.791 1.00 0.00 C ATOM 2010 O HIS B 129 18.983 12.160 -2.995 1.00 0.00 O ATOM 2011 CB HIS B 129 19.187 9.222 -4.577 1.00 0.00 C ATOM 2012 CG HIS B 129 20.077 8.486 -5.552 1.00 0.00 C ATOM 2013 ND1 HIS B 129 19.942 7.128 -5.852 1.00 0.00 N ATOM 2014 CD2 HIS B 129 21.145 8.923 -6.302 1.00 0.00 C ATOM 2015 CE1 HIS B 129 20.903 6.815 -6.743 1.00 0.00 C ATOM 2016 NE2 HIS B 129 21.661 7.870 -7.051 1.00 0.00 N ATOM 0 H HIS B 129 20.918 8.390 -2.982 1.00 0.00 H new ATOM 0 HA HIS B 129 20.555 10.846 -4.454 1.00 0.00 H new ATOM 0 HB2 HIS B 129 18.676 8.516 -3.923 1.00 0.00 H new ATOM 0 HB3 HIS B 129 18.416 9.777 -5.112 1.00 0.00 H new ATOM 0 HD2 HIS B 129 21.526 9.934 -6.308 1.00 0.00 H new ATOM 0 HE1 HIS B 129 21.043 5.828 -7.159 1.00 0.00 H new ATOM 0 HE2 HIS B 129 22.450 7.898 -7.697 1.00 0.00 H new ATOM 2024 N TYR B 130 18.798 10.394 -1.717 1.00 0.00 N ATOM 2025 CA TYR B 130 18.021 11.153 -0.730 1.00 0.00 C ATOM 2026 C TYR B 130 18.803 12.402 -0.409 1.00 0.00 C ATOM 2027 O TYR B 130 18.333 13.515 -0.541 1.00 0.00 O ATOM 2028 CB TYR B 130 17.910 10.323 0.540 1.00 0.00 C ATOM 2029 CG TYR B 130 17.364 11.172 1.657 1.00 0.00 C ATOM 2030 CD1 TYR B 130 16.367 12.117 1.391 1.00 0.00 C ATOM 2031 CD2 TYR B 130 17.857 11.020 2.958 1.00 0.00 C ATOM 2032 CE1 TYR B 130 15.865 12.903 2.420 1.00 0.00 C ATOM 2033 CE2 TYR B 130 17.348 11.812 3.993 1.00 0.00 C ATOM 2034 CZ TYR B 130 16.352 12.754 3.723 1.00 0.00 C ATOM 2035 OH TYR B 130 15.847 13.535 4.744 1.00 0.00 O ATOM 0 H TYR B 130 18.965 9.415 -1.485 1.00 0.00 H new ATOM 0 HA TYR B 130 17.028 11.392 -1.112 1.00 0.00 H new ATOM 0 HB2 TYR B 130 17.258 9.466 0.370 1.00 0.00 H new ATOM 0 HB3 TYR B 130 18.889 9.929 0.815 1.00 0.00 H new ATOM 0 HD1 TYR B 130 15.988 12.235 0.387 1.00 0.00 H new ATOM 0 HD2 TYR B 130 18.629 10.293 3.163 1.00 0.00 H new ATOM 0 HE1 TYR B 130 15.096 13.632 2.214 1.00 0.00 H new ATOM 0 HE2 TYR B 130 17.724 11.695 4.999 1.00 0.00 H new ATOM 0 HH TYR B 130 16.386 14.349 4.831 1.00 0.00 H new ATOM 2045 N ASN B 131 20.007 12.201 0.014 1.00 0.00 N ATOM 2046 CA ASN B 131 20.859 13.350 0.355 1.00 0.00 C ATOM 2047 C ASN B 131 21.128 14.164 -0.904 1.00 0.00 C ATOM 2048 O ASN B 131 21.025 15.374 -0.901 1.00 0.00 O ATOM 2049 CB ASN B 131 22.179 12.863 0.954 1.00 0.00 C ATOM 2050 CG ASN B 131 21.965 12.458 2.414 1.00 0.00 C ATOM 2051 OD1 ASN B 131 22.003 13.290 3.299 1.00 0.00 O ATOM 2052 ND2 ASN B 131 21.733 11.207 2.704 1.00 0.00 N ATOM 0 H ASN B 131 20.438 11.285 0.138 1.00 0.00 H new ATOM 0 HA ASN B 131 20.351 13.974 1.091 1.00 0.00 H new ATOM 0 HB2 ASN B 131 22.558 12.015 0.383 1.00 0.00 H new ATOM 0 HB3 ASN B 131 22.930 13.650 0.891 1.00 0.00 H new ATOM 0 HD21 ASN B 131 21.584 10.927 3.673 1.00 0.00 H new ATOM 0 HD22 ASN B 131 21.701 10.509 1.961 1.00 0.00 H new ATOM 2059 N GLN B 132 21.446 13.517 -1.995 1.00 0.00 N ATOM 2060 CA GLN B 132 21.681 14.297 -3.244 1.00 0.00 C ATOM 2061 C GLN B 132 20.441 15.146 -3.470 1.00 0.00 C ATOM 2062 O GLN B 132 20.500 16.264 -3.941 1.00 0.00 O ATOM 2063 CB GLN B 132 21.885 13.358 -4.437 1.00 0.00 C ATOM 2064 CG GLN B 132 22.599 14.110 -5.564 1.00 0.00 C ATOM 2065 CD GLN B 132 24.082 14.266 -5.219 1.00 0.00 C ATOM 2066 OE1 GLN B 132 24.485 14.028 -4.096 1.00 0.00 O ATOM 2067 NE2 GLN B 132 24.915 14.658 -6.141 1.00 0.00 N ATOM 0 H GLN B 132 21.551 12.506 -2.075 1.00 0.00 H new ATOM 0 HA GLN B 132 22.576 14.912 -3.148 1.00 0.00 H new ATOM 0 HB2 GLN B 132 22.473 12.491 -4.135 1.00 0.00 H new ATOM 0 HB3 GLN B 132 20.923 12.984 -4.788 1.00 0.00 H new ATOM 0 HG2 GLN B 132 22.489 13.568 -6.503 1.00 0.00 H new ATOM 0 HG3 GLN B 132 22.143 15.090 -5.706 1.00 0.00 H new ATOM 0 HE21 GLN B 132 24.577 14.857 -7.082 1.00 0.00 H new ATOM 0 HE22 GLN B 132 25.905 14.765 -5.921 1.00 0.00 H new ATOM 2076 N LEU B 133 19.317 14.606 -3.105 1.00 0.00 N ATOM 2077 CA LEU B 133 18.036 15.342 -3.252 1.00 0.00 C ATOM 2078 C LEU B 133 17.899 16.352 -2.114 1.00 0.00 C ATOM 2079 O LEU B 133 17.359 17.429 -2.286 1.00 0.00 O ATOM 2080 CB LEU B 133 16.871 14.343 -3.181 1.00 0.00 C ATOM 2081 CG LEU B 133 16.490 13.855 -4.590 1.00 0.00 C ATOM 2082 CD1 LEU B 133 17.266 12.587 -4.946 1.00 0.00 C ATOM 2083 CD2 LEU B 133 14.998 13.544 -4.620 1.00 0.00 C ATOM 0 H LEU B 133 19.230 13.672 -2.705 1.00 0.00 H new ATOM 0 HA LEU B 133 18.020 15.863 -4.209 1.00 0.00 H new ATOM 0 HB2 LEU B 133 17.151 13.493 -2.559 1.00 0.00 H new ATOM 0 HB3 LEU B 133 16.009 14.814 -2.708 1.00 0.00 H new ATOM 0 HG LEU B 133 16.733 14.635 -5.312 1.00 0.00 H new ATOM 0 HD11 LEU B 133 16.984 12.256 -5.946 1.00 0.00 H new ATOM 0 HD12 LEU B 133 18.335 12.796 -4.921 1.00 0.00 H new ATOM 0 HD13 LEU B 133 17.033 11.803 -4.225 1.00 0.00 H new ATOM 0 HD21 LEU B 133 14.719 13.197 -5.615 1.00 0.00 H new ATOM 0 HD22 LEU B 133 14.773 12.767 -3.889 1.00 0.00 H new ATOM 0 HD23 LEU B 133 14.434 14.445 -4.378 1.00 0.00 H new ATOM 2095 N PHE B 134 18.372 16.011 -0.949 1.00 0.00 N ATOM 2096 CA PHE B 134 18.257 16.945 0.206 1.00 0.00 C ATOM 2097 C PHE B 134 19.298 16.596 1.269 1.00 0.00 C ATOM 2098 O PHE B 134 20.347 17.205 1.354 1.00 0.00 O ATOM 2099 CB PHE B 134 16.854 16.813 0.814 1.00 0.00 C ATOM 2100 CG PHE B 134 15.901 17.731 0.089 1.00 0.00 C ATOM 2101 CD1 PHE B 134 15.802 19.079 0.461 1.00 0.00 C ATOM 2102 CD2 PHE B 134 15.122 17.235 -0.962 1.00 0.00 C ATOM 2103 CE1 PHE B 134 14.918 19.928 -0.218 1.00 0.00 C ATOM 2104 CE2 PHE B 134 14.239 18.084 -1.640 1.00 0.00 C ATOM 2105 CZ PHE B 134 14.139 19.431 -1.267 1.00 0.00 C ATOM 0 H PHE B 134 18.834 15.125 -0.746 1.00 0.00 H new ATOM 0 HA PHE B 134 18.426 17.966 -0.137 1.00 0.00 H new ATOM 0 HB2 PHE B 134 16.510 15.782 0.739 1.00 0.00 H new ATOM 0 HB3 PHE B 134 16.881 17.064 1.874 1.00 0.00 H new ATOM 0 HD1 PHE B 134 16.406 19.463 1.270 1.00 0.00 H new ATOM 0 HD2 PHE B 134 15.202 16.197 -1.250 1.00 0.00 H new ATOM 0 HE1 PHE B 134 14.838 20.966 0.069 1.00 0.00 H new ATOM 0 HE2 PHE B 134 13.636 17.701 -2.450 1.00 0.00 H new ATOM 0 HZ PHE B 134 13.459 20.086 -1.791 1.00 0.00 H new ATOM 2115 N GLY B 135 19.008 15.624 2.082 1.00 0.00 N ATOM 2116 CA GLY B 135 19.964 15.228 3.155 1.00 0.00 C ATOM 2117 C GLY B 135 19.716 16.076 4.401 1.00 0.00 C ATOM 2118 O GLY B 135 20.620 16.370 5.157 1.00 0.00 O ATOM 0 H GLY B 135 18.145 15.081 2.052 1.00 0.00 H new ATOM 0 HA2 GLY B 135 19.843 14.171 3.392 1.00 0.00 H new ATOM 0 HA3 GLY B 135 20.989 15.362 2.810 1.00 0.00 H new ATOM 2122 N ASP B 136 18.492 16.469 4.623 1.00 0.00 N ATOM 2123 CA ASP B 136 18.180 17.299 5.820 1.00 0.00 C ATOM 2124 C ASP B 136 19.180 18.454 5.917 1.00 0.00 C ATOM 2125 O ASP B 136 19.788 18.676 6.945 1.00 0.00 O ATOM 2126 CB ASP B 136 18.277 16.434 7.079 1.00 0.00 C ATOM 2127 CG ASP B 136 17.074 15.490 7.143 1.00 0.00 C ATOM 2128 OD1 ASP B 136 16.380 15.377 6.146 1.00 0.00 O ATOM 2129 OD2 ASP B 136 16.869 14.896 8.189 1.00 0.00 O ATOM 0 H ASP B 136 17.694 16.251 4.026 1.00 0.00 H new ATOM 0 HA ASP B 136 17.170 17.700 5.730 1.00 0.00 H new ATOM 0 HB2 ASP B 136 19.203 15.860 7.068 1.00 0.00 H new ATOM 0 HB3 ASP B 136 18.304 17.066 7.966 1.00 0.00 H new ATOM 2134 N VAL B 137 19.353 19.189 4.854 1.00 0.00 N ATOM 2135 CA VAL B 137 20.312 20.330 4.887 1.00 0.00 C ATOM 2136 C VAL B 137 20.018 21.279 3.724 1.00 0.00 C ATOM 2137 O VAL B 137 20.433 21.065 3.646 1.00 0.00 O ATOM 2138 CB VAL B 137 21.740 19.799 4.762 1.00 0.00 C ATOM 2139 CG1 VAL B 137 21.925 19.149 3.390 1.00 0.00 C ATOM 2140 CG2 VAL B 137 22.730 20.956 4.912 1.00 0.00 C ATOM 0 H VAL B 137 18.873 19.050 3.965 1.00 0.00 H new ATOM 0 HA VAL B 137 20.204 20.867 5.830 1.00 0.00 H new ATOM 0 HB VAL B 137 21.921 19.060 5.543 1.00 0.00 H new ATOM 0 HG11 VAL B 137 22.943 18.770 3.301 1.00 0.00 H new ATOM 0 HG12 VAL B 137 21.220 18.325 3.280 1.00 0.00 H new ATOM 0 HG13 VAL B 137 21.743 19.888 2.610 1.00 0.00 H new ATOM 0 HG21 VAL B 137 23.748 20.577 4.823 1.00 0.00 H new ATOM 0 HG22 VAL B 137 22.548 21.694 4.131 1.00 0.00 H new ATOM 0 HG23 VAL B 137 22.600 21.422 5.889 1.00 0.00 H new TER 2150 VAL B 137 HETATM 2151 ZN ZN B 138 5.391 -5.372 -5.322 1.00 0.00 ZN HETATM 2152 ZN ZN B 139 18.577 5.849 -5.138 1.00 0.00 ZN