USER MOD reduce.3.24.130724 H: found=0, std=0, add=1037, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1032 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 SER OG : rot -130:sc= 0.498 USER MOD Set 1.2: A 65 THR OG1 : rot 75:sc= 1.22 USER MOD Set 2.1: A 35 ASN : amide:sc= -0.452 K(o=-1.6,f=-6.3!) USER MOD Set 2.2: A 57 HIS : no HD1:sc= -1.18 K(o=-1.6,f=-6.5) USER MOD Set 3.1: A 32 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 44 THR OG1 : rot -32:sc= 0.756 USER MOD Set 4.1: A 10 MET CE :methyl -144:sc= -0.0168 (180deg=0) USER MOD Set 4.2: A 76 GLN : amide:sc= -0.206 X(o=-0.22,f=0) USER MOD Single : A 1 GLY N :NH3+ -110:sc= 0.061 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl -139:sc= -3.34! (180deg=-6.65!) USER MOD Single : A 15 THR OG1 : rot -14:sc= 0.177 USER MOD Single : A 19 HIS : no HE2:sc= -1.01 K(o=-1,f=-4.5!) USER MOD Single : A 20 ASN : amide:sc= -2.37! K(o=-2.4!,f=-1.3) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= -0.0988 USER MOD Single : A 36 MET CE :methyl 180:sc= -0.0449 (180deg=-0.0449) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 167:sc= 0.0182 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -170:sc= 1.08 USER MOD Single : A 49 SER OG : rot -37:sc= 1.16 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 170:sc= -0.136 USER MOD Single : A 69 GLN : amide:sc= -0.567 X(o=-0.57,f=-1) USER MOD Single : A 70 GLN : amide:sc= -0.065 X(o=-0.065,f=-0.56) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HD1:sc= -0.0537 X(o=-0.054,f=-0.003) USER MOD Single : A 80 ASN : amide:sc= -0.739 K(o=-0.74,f=-9.2!) USER MOD Single : A 83 CYS SG : rot -144:sc= -0.116 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0.0964 X(o=0.096,f=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -0.351 X(o=-0.35,f=-0.35) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= -0.0187 K(o=-0.019,f=-3.3!) USER MOD Single : A 114 LYS NZ :NH3+ -165:sc= 0.172 (180deg=0.116) USER MOD Single : A 115 TYR OH : rot 180:sc=-0.00489 USER MOD Single : A 117 LYS NZ :NH3+ -176:sc= -0.25 (180deg=-0.278) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 GLN : amide:sc=-0.00769 X(o=-0.0077,f=-0.0077) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.142 -25.097 5.628 1.00 0.00 N ATOM 2 CA GLY A 1 11.892 -24.843 4.934 1.00 0.00 C ATOM 3 C GLY A 1 10.682 -25.063 5.821 1.00 0.00 C ATOM 4 O GLY A 1 10.758 -25.777 6.820 1.00 0.00 O ATOM 0 H1 GLY A 1 13.644 -24.199 5.779 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.945 -25.542 6.547 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.734 -25.732 5.056 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.887 -23.817 4.565 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.824 -25.495 4.063 1.00 0.00 H new ATOM 8 N SER A 2 9.563 -24.447 5.455 1.00 0.00 N ATOM 9 CA SER A 2 8.332 -24.575 6.227 1.00 0.00 C ATOM 10 C SER A 2 7.548 -25.811 5.799 1.00 0.00 C ATOM 11 O SER A 2 7.215 -25.972 4.625 1.00 0.00 O ATOM 12 CB SER A 2 7.468 -23.324 6.059 1.00 0.00 C ATOM 13 OG SER A 2 8.102 -22.186 6.616 1.00 0.00 O ATOM 0 H SER A 2 9.483 -23.854 4.629 1.00 0.00 H new ATOM 0 HA SER A 2 8.601 -24.684 7.278 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.272 -23.153 5.000 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.502 -23.478 6.541 1.00 0.00 H new ATOM 0 HG SER A 2 7.530 -21.400 6.494 1.00 0.00 H new ATOM 19 N SER A 3 7.257 -26.682 6.760 1.00 0.00 N ATOM 20 CA SER A 3 6.515 -27.906 6.482 1.00 0.00 C ATOM 21 C SER A 3 5.136 -27.865 7.134 1.00 0.00 C ATOM 22 O SER A 3 5.016 -27.761 8.354 1.00 0.00 O ATOM 23 CB SER A 3 7.293 -29.124 6.985 1.00 0.00 C ATOM 24 OG SER A 3 8.401 -29.402 6.147 1.00 0.00 O ATOM 0 H SER A 3 7.524 -26.563 7.737 1.00 0.00 H new ATOM 0 HA SER A 3 6.386 -27.986 5.403 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.639 -28.944 8.003 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.634 -29.991 7.021 1.00 0.00 H new ATOM 0 HG SER A 3 8.883 -30.183 6.490 1.00 0.00 H new ATOM 30 N GLY A 4 4.096 -27.948 6.310 1.00 0.00 N ATOM 31 CA GLY A 4 2.739 -27.918 6.823 1.00 0.00 C ATOM 32 C GLY A 4 2.144 -26.524 6.809 1.00 0.00 C ATOM 33 O GLY A 4 1.407 -26.166 5.891 1.00 0.00 O ATOM 0 H GLY A 4 4.169 -28.035 5.296 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.114 -28.582 6.227 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.731 -28.303 7.843 1.00 0.00 H new ATOM 37 N SER A 5 2.464 -25.736 7.831 1.00 0.00 N ATOM 38 CA SER A 5 1.951 -24.375 7.935 1.00 0.00 C ATOM 39 C SER A 5 2.903 -23.384 7.272 1.00 0.00 C ATOM 40 O SER A 5 3.899 -22.970 7.866 1.00 0.00 O ATOM 41 CB SER A 5 1.745 -23.997 9.403 1.00 0.00 C ATOM 42 OG SER A 5 1.271 -22.667 9.526 1.00 0.00 O ATOM 0 H SER A 5 3.075 -26.016 8.598 1.00 0.00 H new ATOM 0 HA SER A 5 0.992 -24.333 7.418 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.034 -24.684 9.862 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.685 -24.103 9.944 1.00 0.00 H new ATOM 0 HG SER A 5 1.146 -22.451 10.474 1.00 0.00 H new ATOM 48 N SER A 6 2.588 -23.007 6.037 1.00 0.00 N ATOM 49 CA SER A 6 3.416 -22.067 5.290 1.00 0.00 C ATOM 50 C SER A 6 2.667 -20.762 5.041 1.00 0.00 C ATOM 51 O SER A 6 1.479 -20.767 4.721 1.00 0.00 O ATOM 52 CB SER A 6 3.849 -22.683 3.958 1.00 0.00 C ATOM 53 OG SER A 6 4.524 -23.913 4.160 1.00 0.00 O ATOM 0 H SER A 6 1.766 -23.338 5.532 1.00 0.00 H new ATOM 0 HA SER A 6 4.302 -21.848 5.886 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.975 -22.844 3.327 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.502 -21.989 3.428 1.00 0.00 H new ATOM 0 HG SER A 6 4.789 -24.287 3.294 1.00 0.00 H new ATOM 59 N GLY A 7 3.371 -19.645 5.189 1.00 0.00 N ATOM 60 CA GLY A 7 2.758 -18.347 4.977 1.00 0.00 C ATOM 61 C GLY A 7 2.113 -17.797 6.234 1.00 0.00 C ATOM 62 O GLY A 7 2.266 -16.618 6.554 1.00 0.00 O ATOM 0 H GLY A 7 4.356 -19.615 5.452 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.514 -17.645 4.623 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.006 -18.428 4.192 1.00 0.00 H new ATOM 66 N LEU A 8 1.390 -18.652 6.948 1.00 0.00 N ATOM 67 CA LEU A 8 0.718 -18.246 8.178 1.00 0.00 C ATOM 68 C LEU A 8 1.728 -17.786 9.224 1.00 0.00 C ATOM 69 O LEU A 8 1.642 -16.670 9.737 1.00 0.00 O ATOM 70 CB LEU A 8 -0.117 -19.401 8.732 1.00 0.00 C ATOM 71 CG LEU A 8 -1.411 -19.715 7.981 1.00 0.00 C ATOM 72 CD1 LEU A 8 -2.431 -18.606 8.187 1.00 0.00 C ATOM 73 CD2 LEU A 8 -1.132 -19.916 6.498 1.00 0.00 C ATOM 0 H LEU A 8 1.254 -19.631 6.697 1.00 0.00 H new ATOM 0 HA LEU A 8 0.059 -17.410 7.944 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.501 -20.299 8.740 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.368 -19.177 9.769 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.825 -20.640 8.382 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.345 -18.847 7.645 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.654 -18.509 9.250 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.026 -17.665 7.814 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.064 -20.139 5.979 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.694 -19.008 6.084 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.437 -20.746 6.368 1.00 0.00 H new ATOM 85 N LYS A 9 2.687 -18.652 9.534 1.00 0.00 N ATOM 86 CA LYS A 9 3.717 -18.334 10.516 1.00 0.00 C ATOM 87 C LYS A 9 4.348 -16.977 10.224 1.00 0.00 C ATOM 88 O LYS A 9 4.692 -16.232 11.141 1.00 0.00 O ATOM 89 CB LYS A 9 4.796 -19.419 10.523 1.00 0.00 C ATOM 90 CG LYS A 9 4.306 -20.761 11.040 1.00 0.00 C ATOM 91 CD LYS A 9 4.475 -20.874 12.545 1.00 0.00 C ATOM 92 CE LYS A 9 3.267 -20.322 13.285 1.00 0.00 C ATOM 93 NZ LYS A 9 3.077 -20.980 14.608 1.00 0.00 N ATOM 0 H LYS A 9 2.772 -19.580 9.119 1.00 0.00 H new ATOM 0 HA LYS A 9 3.246 -18.292 11.498 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.178 -19.547 9.510 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.631 -19.085 11.138 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.255 -20.890 10.780 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.857 -21.564 10.550 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.624 -21.919 12.818 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.370 -20.333 12.853 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.388 -19.248 13.428 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.373 -20.464 12.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.243 -20.575 15.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.936 -22.001 14.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.919 -20.823 15.198 1.00 0.00 H new ATOM 107 N MET A 10 4.494 -16.662 8.941 1.00 0.00 N ATOM 108 CA MET A 10 5.081 -15.392 8.529 1.00 0.00 C ATOM 109 C MET A 10 4.085 -14.250 8.704 1.00 0.00 C ATOM 110 O MET A 10 4.474 -13.099 8.909 1.00 0.00 O ATOM 111 CB MET A 10 5.538 -15.466 7.071 1.00 0.00 C ATOM 112 CG MET A 10 6.611 -16.515 6.823 1.00 0.00 C ATOM 113 SD MET A 10 7.198 -16.518 5.118 1.00 0.00 S ATOM 114 CE MET A 10 8.370 -15.165 5.161 1.00 0.00 C ATOM 0 H MET A 10 4.214 -17.268 8.170 1.00 0.00 H new ATOM 0 HA MET A 10 5.945 -15.197 9.164 1.00 0.00 H new ATOM 0 HB2 MET A 10 4.677 -15.683 6.439 1.00 0.00 H new ATOM 0 HB3 MET A 10 5.918 -14.490 6.768 1.00 0.00 H new ATOM 0 HG2 MET A 10 7.452 -16.334 7.492 1.00 0.00 H new ATOM 0 HG3 MET A 10 6.214 -17.500 7.068 1.00 0.00 H new ATOM 0 HE1 MET A 10 8.339 -14.627 4.214 1.00 0.00 H new ATOM 0 HE2 MET A 10 8.111 -14.485 5.973 1.00 0.00 H new ATOM 0 HE3 MET A 10 9.374 -15.558 5.323 1.00 0.00 H new ATOM 124 N LEU A 11 2.799 -14.575 8.621 1.00 0.00 N ATOM 125 CA LEU A 11 1.747 -13.576 8.770 1.00 0.00 C ATOM 126 C LEU A 11 1.807 -12.922 10.147 1.00 0.00 C ATOM 127 O LEU A 11 2.026 -11.716 10.263 1.00 0.00 O ATOM 128 CB LEU A 11 0.374 -14.217 8.557 1.00 0.00 C ATOM 129 CG LEU A 11 -0.780 -13.254 8.278 1.00 0.00 C ATOM 130 CD1 LEU A 11 -1.235 -12.579 9.563 1.00 0.00 C ATOM 131 CD2 LEU A 11 -0.371 -12.215 7.244 1.00 0.00 C ATOM 0 H LEU A 11 2.460 -15.522 8.451 1.00 0.00 H new ATOM 0 HA LEU A 11 1.903 -12.805 8.015 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.447 -14.916 7.724 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.127 -14.802 9.443 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.616 -13.827 7.877 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.057 -11.897 9.345 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.570 -13.336 10.273 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.405 -12.020 9.994 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.205 -11.538 7.058 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.481 -11.647 7.617 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.096 -12.715 6.315 1.00 0.00 H new ATOM 143 N ARG A 12 1.615 -13.726 11.187 1.00 0.00 N ATOM 144 CA ARG A 12 1.648 -13.226 12.556 1.00 0.00 C ATOM 145 C ARG A 12 2.863 -12.329 12.777 1.00 0.00 C ATOM 146 O ARG A 12 2.787 -11.330 13.493 1.00 0.00 O ATOM 147 CB ARG A 12 1.674 -14.391 13.547 1.00 0.00 C ATOM 148 CG ARG A 12 0.308 -15.011 13.793 1.00 0.00 C ATOM 149 CD ARG A 12 0.204 -15.590 15.196 1.00 0.00 C ATOM 150 NE ARG A 12 0.335 -14.561 16.224 1.00 0.00 N ATOM 151 CZ ARG A 12 0.064 -14.766 17.508 1.00 0.00 C ATOM 152 NH1 ARG A 12 -0.349 -15.957 17.919 1.00 0.00 N ATOM 153 NH2 ARG A 12 0.207 -13.779 18.384 1.00 0.00 N ATOM 0 H ARG A 12 1.435 -14.727 11.108 1.00 0.00 H new ATOM 0 HA ARG A 12 0.747 -12.636 12.723 1.00 0.00 H new ATOM 0 HB2 ARG A 12 2.351 -15.160 13.174 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.081 -14.041 14.496 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -0.466 -14.257 13.651 1.00 0.00 H new ATOM 0 HG3 ARG A 12 0.126 -15.796 13.059 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -0.755 -16.096 15.309 1.00 0.00 H new ATOM 0 HD3 ARG A 12 0.980 -16.343 15.336 1.00 0.00 H new ATOM 0 HE ARG A 12 0.652 -13.634 15.940 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -0.459 -16.718 17.249 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.557 -16.112 18.906 1.00 0.00 H new ATOM 0 HH21 ARG A 12 0.525 -12.862 18.071 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.001 -13.938 19.370 1.00 0.00 H new ATOM 167 N ASP A 13 3.981 -12.693 12.159 1.00 0.00 N ATOM 168 CA ASP A 13 5.212 -11.922 12.288 1.00 0.00 C ATOM 169 C ASP A 13 5.061 -10.547 11.645 1.00 0.00 C ATOM 170 O ASP A 13 5.603 -9.558 12.138 1.00 0.00 O ATOM 171 CB ASP A 13 6.379 -12.673 11.646 1.00 0.00 C ATOM 172 CG ASP A 13 7.619 -11.811 11.513 1.00 0.00 C ATOM 173 OD1 ASP A 13 8.324 -11.625 12.528 1.00 0.00 O ATOM 174 OD2 ASP A 13 7.886 -11.324 10.395 1.00 0.00 O ATOM 0 H ASP A 13 4.060 -13.517 11.564 1.00 0.00 H new ATOM 0 HA ASP A 13 5.418 -11.787 13.350 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.614 -13.553 12.245 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.080 -13.029 10.660 1.00 0.00 H new ATOM 179 N MET A 14 4.322 -10.492 10.542 1.00 0.00 N ATOM 180 CA MET A 14 4.100 -9.238 9.832 1.00 0.00 C ATOM 181 C MET A 14 3.281 -8.271 10.681 1.00 0.00 C ATOM 182 O MET A 14 3.716 -7.154 10.964 1.00 0.00 O ATOM 183 CB MET A 14 3.387 -9.499 8.504 1.00 0.00 C ATOM 184 CG MET A 14 4.335 -9.814 7.357 1.00 0.00 C ATOM 185 SD MET A 14 3.600 -9.497 5.742 1.00 0.00 S ATOM 186 CE MET A 14 2.822 -11.076 5.409 1.00 0.00 C ATOM 0 H MET A 14 3.867 -11.302 10.120 1.00 0.00 H new ATOM 0 HA MET A 14 5.071 -8.785 9.632 1.00 0.00 H new ATOM 0 HB2 MET A 14 2.694 -10.331 8.630 1.00 0.00 H new ATOM 0 HB3 MET A 14 2.791 -8.624 8.243 1.00 0.00 H new ATOM 0 HG2 MET A 14 5.240 -9.216 7.464 1.00 0.00 H new ATOM 0 HG3 MET A 14 4.636 -10.860 7.416 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.971 -11.342 4.362 1.00 0.00 H new ATOM 0 HE2 MET A 14 3.266 -11.842 6.045 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.754 -11.007 5.617 1.00 0.00 H new ATOM 196 N THR A 15 2.091 -8.706 11.084 1.00 0.00 N ATOM 197 CA THR A 15 1.210 -7.878 11.899 1.00 0.00 C ATOM 198 C THR A 15 1.910 -7.419 13.173 1.00 0.00 C ATOM 199 O THR A 15 1.568 -6.384 13.743 1.00 0.00 O ATOM 200 CB THR A 15 -0.078 -8.632 12.277 1.00 0.00 C ATOM 201 OG1 THR A 15 0.244 -9.799 13.042 1.00 0.00 O ATOM 202 CG2 THR A 15 -0.856 -9.033 11.033 1.00 0.00 C ATOM 0 H THR A 15 1.715 -9.627 10.859 1.00 0.00 H new ATOM 0 HA THR A 15 0.949 -7.007 11.298 1.00 0.00 H new ATOM 0 HB THR A 15 -0.700 -7.966 12.875 1.00 0.00 H new ATOM 0 HG1 THR A 15 1.203 -9.985 12.966 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.762 -9.564 11.326 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.125 -8.140 10.469 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.239 -9.682 10.412 1.00 0.00 H new ATOM 210 N GLY A 16 2.894 -8.197 13.615 1.00 0.00 N ATOM 211 CA GLY A 16 3.627 -7.853 14.819 1.00 0.00 C ATOM 212 C GLY A 16 4.391 -6.551 14.681 1.00 0.00 C ATOM 213 O GLY A 16 4.548 -5.809 15.652 1.00 0.00 O ATOM 0 H GLY A 16 3.196 -9.059 13.161 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.931 -7.776 15.654 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.324 -8.656 15.058 1.00 0.00 H new ATOM 217 N LEU A 17 4.870 -6.273 13.474 1.00 0.00 N ATOM 218 CA LEU A 17 5.623 -5.052 13.212 1.00 0.00 C ATOM 219 C LEU A 17 4.908 -3.836 13.790 1.00 0.00 C ATOM 220 O LEU A 17 3.686 -3.817 13.941 1.00 0.00 O ATOM 221 CB LEU A 17 5.829 -4.869 11.707 1.00 0.00 C ATOM 222 CG LEU A 17 6.694 -5.923 11.015 1.00 0.00 C ATOM 223 CD1 LEU A 17 6.417 -5.943 9.520 1.00 0.00 C ATOM 224 CD2 LEU A 17 8.169 -5.663 11.283 1.00 0.00 C ATOM 0 H LEU A 17 4.750 -6.877 12.661 1.00 0.00 H new ATOM 0 HA LEU A 17 6.595 -5.143 13.697 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.851 -4.857 11.225 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.279 -3.891 11.538 1.00 0.00 H new ATOM 0 HG LEU A 17 6.438 -6.900 11.424 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.042 -6.699 9.044 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.367 -6.179 9.348 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.644 -4.965 9.095 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.769 -6.423 10.783 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.440 -4.678 10.902 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.356 -5.701 12.356 1.00 0.00 H new ATOM 236 N PRO A 18 5.684 -2.793 14.121 1.00 0.00 N ATOM 237 CA PRO A 18 5.146 -1.552 14.685 1.00 0.00 C ATOM 238 C PRO A 18 4.339 -0.754 13.666 1.00 0.00 C ATOM 239 O PRO A 18 3.257 -0.252 13.972 1.00 0.00 O ATOM 240 CB PRO A 18 6.399 -0.778 15.100 1.00 0.00 C ATOM 241 CG PRO A 18 7.477 -1.299 14.214 1.00 0.00 C ATOM 242 CD PRO A 18 7.148 -2.746 13.968 1.00 0.00 C ATOM 0 HA PRO A 18 4.456 -1.743 15.507 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.263 0.295 14.969 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.636 -0.943 16.151 1.00 0.00 H new ATOM 0 HG2 PRO A 18 7.515 -0.743 13.277 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.454 -1.196 14.686 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.459 -3.065 12.973 1.00 0.00 H new ATOM 0 HD3 PRO A 18 7.648 -3.399 14.683 1.00 0.00 H new ATOM 250 N HIS A 19 4.873 -0.641 12.454 1.00 0.00 N ATOM 251 CA HIS A 19 4.202 0.096 11.389 1.00 0.00 C ATOM 252 C HIS A 19 2.989 -0.675 10.876 1.00 0.00 C ATOM 253 O HIS A 19 2.300 -0.228 9.961 1.00 0.00 O ATOM 254 CB HIS A 19 5.172 0.369 10.239 1.00 0.00 C ATOM 255 CG HIS A 19 6.087 -0.779 9.943 1.00 0.00 C ATOM 256 ND1 HIS A 19 7.274 -0.988 10.613 1.00 0.00 N ATOM 257 CD2 HIS A 19 5.983 -1.785 9.043 1.00 0.00 C ATOM 258 CE1 HIS A 19 7.861 -2.071 10.138 1.00 0.00 C ATOM 259 NE2 HIS A 19 7.099 -2.574 9.184 1.00 0.00 N ATOM 0 H HIS A 19 5.768 -1.050 12.185 1.00 0.00 H new ATOM 0 HA HIS A 19 3.860 1.047 11.798 1.00 0.00 H new ATOM 0 HB2 HIS A 19 4.601 0.609 9.342 1.00 0.00 H new ATOM 0 HB3 HIS A 19 5.771 1.247 10.480 1.00 0.00 H new ATOM 0 HD1 HIS A 19 7.641 -0.398 11.359 1.00 0.00 H new ATOM 0 HD2 HIS A 19 5.174 -1.939 8.344 1.00 0.00 H new ATOM 0 HE1 HIS A 19 8.804 -2.477 10.473 1.00 0.00 H new ATOM 267 N ASN A 20 2.736 -1.835 11.472 1.00 0.00 N ATOM 268 CA ASN A 20 1.607 -2.669 11.074 1.00 0.00 C ATOM 269 C ASN A 20 0.745 -3.028 12.280 1.00 0.00 C ATOM 270 O ASN A 20 0.252 -4.151 12.392 1.00 0.00 O ATOM 271 CB ASN A 20 2.105 -3.944 10.391 1.00 0.00 C ATOM 272 CG ASN A 20 2.841 -3.657 9.096 1.00 0.00 C ATOM 273 OD1 ASN A 20 2.585 -2.651 8.434 1.00 0.00 O ATOM 274 ND2 ASN A 20 3.759 -4.543 8.729 1.00 0.00 N ATOM 0 H ASN A 20 3.297 -2.219 12.232 1.00 0.00 H new ATOM 0 HA ASN A 20 0.998 -2.102 10.370 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.766 -4.482 11.070 1.00 0.00 H new ATOM 0 HB3 ASN A 20 1.257 -4.598 10.187 1.00 0.00 H new ATOM 0 HD21 ASN A 20 4.286 -4.404 7.867 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.938 -5.363 9.309 1.00 0.00 H new ATOM 281 N ARG A 21 0.566 -2.067 13.180 1.00 0.00 N ATOM 282 CA ARG A 21 -0.237 -2.282 14.378 1.00 0.00 C ATOM 283 C ARG A 21 -1.618 -1.650 14.228 1.00 0.00 C ATOM 284 O ARG A 21 -2.564 -2.028 14.919 1.00 0.00 O ATOM 285 CB ARG A 21 0.471 -1.700 15.603 1.00 0.00 C ATOM 286 CG ARG A 21 1.850 -2.290 15.847 1.00 0.00 C ATOM 287 CD ARG A 21 1.761 -3.697 16.418 1.00 0.00 C ATOM 288 NE ARG A 21 1.193 -3.706 17.764 1.00 0.00 N ATOM 289 CZ ARG A 21 0.657 -4.783 18.327 1.00 0.00 C ATOM 290 NH1 ARG A 21 0.616 -5.931 17.665 1.00 0.00 N ATOM 291 NH2 ARG A 21 0.160 -4.713 19.556 1.00 0.00 N ATOM 0 H ARG A 21 0.966 -1.132 13.103 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.361 -3.356 14.514 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.563 -0.621 15.480 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.148 -1.869 16.484 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.409 -2.311 14.911 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.404 -1.651 16.535 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.149 -4.316 15.762 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.755 -4.143 16.441 1.00 0.00 H new ATOM 0 HE ARG A 21 1.209 -2.838 18.300 1.00 0.00 H new ATOM 0 HH11 ARG A 21 0.997 -5.989 16.721 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.204 -6.756 18.100 1.00 0.00 H new ATOM 0 HH21 ARG A 21 0.190 -3.832 20.069 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.251 -5.541 19.988 1.00 0.00 H new ATOM 305 N LYS A 22 -1.726 -0.686 13.320 1.00 0.00 N ATOM 306 CA LYS A 22 -2.991 -0.002 13.077 1.00 0.00 C ATOM 307 C LYS A 22 -3.341 -0.017 11.593 1.00 0.00 C ATOM 308 O LYS A 22 -2.485 -0.272 10.745 1.00 0.00 O ATOM 309 CB LYS A 22 -2.918 1.442 13.581 1.00 0.00 C ATOM 310 CG LYS A 22 -2.711 1.553 15.081 1.00 0.00 C ATOM 311 CD LYS A 22 -2.672 3.003 15.533 1.00 0.00 C ATOM 312 CE LYS A 22 -3.048 3.141 17.000 1.00 0.00 C ATOM 313 NZ LYS A 22 -2.481 4.378 17.604 1.00 0.00 N ATOM 0 H LYS A 22 -0.953 -0.361 12.740 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.773 -0.531 13.622 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.102 1.955 13.071 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.839 1.959 13.311 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.515 1.031 15.600 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.779 1.059 15.358 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.673 3.408 15.373 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.357 3.593 14.924 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -4.134 3.154 17.097 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.689 2.271 17.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.760 4.435 18.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.444 4.354 17.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.843 5.210 17.096 1.00 0.00 H new ATOM 327 N CYS A 23 -4.604 0.260 11.285 1.00 0.00 N ATOM 328 CA CYS A 23 -5.068 0.279 9.903 1.00 0.00 C ATOM 329 C CYS A 23 -4.263 1.276 9.073 1.00 0.00 C ATOM 330 O CYS A 23 -3.413 1.995 9.599 1.00 0.00 O ATOM 331 CB CYS A 23 -6.554 0.635 9.847 1.00 0.00 C ATOM 332 SG CYS A 23 -7.423 -0.028 8.390 1.00 0.00 S ATOM 0 H CYS A 23 -5.324 0.474 11.974 1.00 0.00 H new ATOM 0 HA CYS A 23 -4.924 -0.717 9.484 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -7.040 0.261 10.748 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -6.657 1.720 9.856 1.00 0.00 H new ATOM 337 N PHE A 24 -4.538 1.314 7.774 1.00 0.00 N ATOM 338 CA PHE A 24 -3.841 2.221 6.870 1.00 0.00 C ATOM 339 C PHE A 24 -4.715 3.423 6.524 1.00 0.00 C ATOM 340 O PHE A 24 -4.214 4.475 6.129 1.00 0.00 O ATOM 341 CB PHE A 24 -3.432 1.488 5.591 1.00 0.00 C ATOM 342 CG PHE A 24 -2.608 2.326 4.657 1.00 0.00 C ATOM 343 CD1 PHE A 24 -1.481 2.991 5.113 1.00 0.00 C ATOM 344 CD2 PHE A 24 -2.959 2.449 3.322 1.00 0.00 C ATOM 345 CE1 PHE A 24 -0.721 3.763 4.255 1.00 0.00 C ATOM 346 CE2 PHE A 24 -2.203 3.220 2.460 1.00 0.00 C ATOM 347 CZ PHE A 24 -1.082 3.877 2.927 1.00 0.00 C ATOM 0 H PHE A 24 -5.239 0.727 7.323 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.945 2.580 7.376 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.868 0.595 5.859 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.330 1.154 5.070 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.193 2.905 6.150 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.834 1.936 2.951 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.155 4.277 4.623 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.489 3.309 1.422 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.489 4.479 2.255 1.00 0.00 H new ATOM 357 N ASP A 25 -6.025 3.257 6.675 1.00 0.00 N ATOM 358 CA ASP A 25 -6.970 4.327 6.379 1.00 0.00 C ATOM 359 C ASP A 25 -7.567 4.895 7.662 1.00 0.00 C ATOM 360 O ASP A 25 -7.332 6.053 8.010 1.00 0.00 O ATOM 361 CB ASP A 25 -8.086 3.813 5.467 1.00 0.00 C ATOM 362 CG ASP A 25 -7.562 2.926 4.355 1.00 0.00 C ATOM 363 OD1 ASP A 25 -6.468 3.218 3.828 1.00 0.00 O ATOM 364 OD2 ASP A 25 -8.245 1.939 4.012 1.00 0.00 O ATOM 0 H ASP A 25 -6.456 2.392 7.001 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.430 5.123 5.867 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -8.810 3.256 6.062 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.616 4.661 5.033 1.00 0.00 H new ATOM 369 N CYS A 26 -8.341 4.074 8.364 1.00 0.00 N ATOM 370 CA CYS A 26 -8.973 4.494 9.608 1.00 0.00 C ATOM 371 C CYS A 26 -8.022 4.316 10.788 1.00 0.00 C ATOM 372 O CYS A 26 -8.423 4.442 11.946 1.00 0.00 O ATOM 373 CB CYS A 26 -10.256 3.695 9.848 1.00 0.00 C ATOM 374 SG CYS A 26 -9.973 1.975 10.378 1.00 0.00 S ATOM 0 H CYS A 26 -8.546 3.113 8.091 1.00 0.00 H new ATOM 0 HA CYS A 26 -9.222 5.552 9.521 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -10.852 4.204 10.606 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -10.845 3.689 8.931 1.00 0.00 H new ATOM 379 N ASP A 27 -6.762 4.024 10.487 1.00 0.00 N ATOM 380 CA ASP A 27 -5.753 3.831 11.521 1.00 0.00 C ATOM 381 C ASP A 27 -6.357 3.157 12.750 1.00 0.00 C ATOM 382 O ASP A 27 -6.020 3.496 13.884 1.00 0.00 O ATOM 383 CB ASP A 27 -5.131 5.171 11.914 1.00 0.00 C ATOM 384 CG ASP A 27 -3.703 5.026 12.402 1.00 0.00 C ATOM 385 OD1 ASP A 27 -2.926 4.292 11.756 1.00 0.00 O ATOM 386 OD2 ASP A 27 -3.362 5.648 13.430 1.00 0.00 O ATOM 0 H ASP A 27 -6.415 3.916 9.534 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.975 3.183 11.118 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.152 5.843 11.056 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.734 5.633 12.696 1.00 0.00 H new ATOM 391 N GLN A 28 -7.251 2.202 12.515 1.00 0.00 N ATOM 392 CA GLN A 28 -7.903 1.482 13.603 1.00 0.00 C ATOM 393 C GLN A 28 -6.960 0.451 14.215 1.00 0.00 C ATOM 394 O GLN A 28 -6.148 -0.154 13.516 1.00 0.00 O ATOM 395 CB GLN A 28 -9.172 0.794 13.099 1.00 0.00 C ATOM 396 CG GLN A 28 -9.686 -0.293 14.029 1.00 0.00 C ATOM 397 CD GLN A 28 -11.078 -0.766 13.663 1.00 0.00 C ATOM 398 OE1 GLN A 28 -11.294 -1.325 12.587 1.00 0.00 O ATOM 399 NE2 GLN A 28 -12.034 -0.542 14.557 1.00 0.00 N ATOM 0 H GLN A 28 -7.540 1.909 11.582 1.00 0.00 H new ATOM 0 HA GLN A 28 -8.172 2.204 14.374 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.952 1.543 12.964 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.975 0.359 12.119 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -9.001 -1.140 14.004 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -9.692 0.083 15.052 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -11.811 -0.075 15.436 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -12.991 -0.837 14.365 1.00 0.00 H new ATOM 408 N ARG A 29 -7.074 0.257 15.525 1.00 0.00 N ATOM 409 CA ARG A 29 -6.231 -0.699 16.232 1.00 0.00 C ATOM 410 C ARG A 29 -6.761 -2.120 16.063 1.00 0.00 C ATOM 411 O ARG A 29 -7.815 -2.467 16.594 1.00 0.00 O ATOM 412 CB ARG A 29 -6.155 -0.345 17.718 1.00 0.00 C ATOM 413 CG ARG A 29 -5.010 0.594 18.063 1.00 0.00 C ATOM 414 CD ARG A 29 -3.746 -0.175 18.414 1.00 0.00 C ATOM 415 NE ARG A 29 -2.896 0.564 19.343 1.00 0.00 N ATOM 416 CZ ARG A 29 -1.983 -0.010 20.119 1.00 0.00 C ATOM 417 NH1 ARG A 29 -1.804 -1.323 20.078 1.00 0.00 N ATOM 418 NH2 ARG A 29 -1.248 0.731 20.939 1.00 0.00 N ATOM 0 H ARG A 29 -7.742 0.749 16.118 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.230 -0.649 15.803 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.095 0.115 18.022 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.048 -1.263 18.296 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.813 1.255 17.219 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.297 1.227 18.903 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.016 -1.135 18.855 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.187 -0.389 17.503 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.009 1.576 19.399 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.368 -1.895 19.450 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.102 -1.761 20.675 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.384 1.741 20.973 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.547 0.290 21.535 1.00 0.00 H new ATOM 432 N GLY A 30 -6.022 -2.938 15.320 1.00 0.00 N ATOM 433 CA GLY A 30 -6.434 -4.311 15.094 1.00 0.00 C ATOM 434 C GLY A 30 -6.859 -4.560 13.660 1.00 0.00 C ATOM 435 O GLY A 30 -8.026 -4.823 13.373 1.00 0.00 O ATOM 0 H GLY A 30 -5.145 -2.674 14.870 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.612 -4.980 15.348 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.260 -4.554 15.762 1.00 0.00 H new ATOM 439 N PRO A 31 -5.895 -4.477 12.731 1.00 0.00 N ATOM 440 CA PRO A 31 -6.152 -4.691 11.303 1.00 0.00 C ATOM 441 C PRO A 31 -6.470 -6.148 10.984 1.00 0.00 C ATOM 442 O PRO A 31 -5.796 -7.061 11.462 1.00 0.00 O ATOM 443 CB PRO A 31 -4.837 -4.273 10.640 1.00 0.00 C ATOM 444 CG PRO A 31 -3.802 -4.467 11.693 1.00 0.00 C ATOM 445 CD PRO A 31 -4.481 -4.167 13.001 1.00 0.00 C ATOM 0 HA PRO A 31 -7.018 -4.128 10.955 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.626 -4.882 9.761 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.874 -3.236 10.308 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.416 -5.486 11.678 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -2.953 -3.803 11.533 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.083 -4.779 13.810 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.347 -3.126 13.294 1.00 0.00 H new ATOM 453 N THR A 32 -7.501 -6.359 10.171 1.00 0.00 N ATOM 454 CA THR A 32 -7.908 -7.705 9.788 1.00 0.00 C ATOM 455 C THR A 32 -8.040 -7.830 8.274 1.00 0.00 C ATOM 456 O THR A 32 -8.782 -8.675 7.774 1.00 0.00 O ATOM 457 CB THR A 32 -9.247 -8.094 10.442 1.00 0.00 C ATOM 458 OG1 THR A 32 -10.254 -7.134 10.105 1.00 0.00 O ATOM 459 CG2 THR A 32 -9.106 -8.179 11.955 1.00 0.00 C ATOM 0 H THR A 32 -8.069 -5.615 9.766 1.00 0.00 H new ATOM 0 HA THR A 32 -7.130 -8.382 10.139 1.00 0.00 H new ATOM 0 HB THR A 32 -9.539 -9.074 10.065 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.103 -7.390 10.523 1.00 0.00 H new ATOM 0 HG21 THR A 32 -10.064 -8.455 12.395 1.00 0.00 H new ATOM 0 HG22 THR A 32 -8.360 -8.932 12.209 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.793 -7.211 12.346 1.00 0.00 H new ATOM 467 N TYR A 33 -7.316 -6.984 7.550 1.00 0.00 N ATOM 468 CA TYR A 33 -7.353 -6.999 6.093 1.00 0.00 C ATOM 469 C TYR A 33 -6.028 -6.520 5.509 1.00 0.00 C ATOM 470 O TYR A 33 -5.255 -5.832 6.175 1.00 0.00 O ATOM 471 CB TYR A 33 -8.496 -6.119 5.583 1.00 0.00 C ATOM 472 CG TYR A 33 -9.802 -6.861 5.413 1.00 0.00 C ATOM 473 CD1 TYR A 33 -10.602 -7.158 6.510 1.00 0.00 C ATOM 474 CD2 TYR A 33 -10.237 -7.265 4.157 1.00 0.00 C ATOM 475 CE1 TYR A 33 -11.796 -7.836 6.360 1.00 0.00 C ATOM 476 CE2 TYR A 33 -11.430 -7.942 3.998 1.00 0.00 C ATOM 477 CZ TYR A 33 -12.206 -8.226 5.102 1.00 0.00 C ATOM 478 OH TYR A 33 -13.395 -8.901 4.948 1.00 0.00 O ATOM 0 H TYR A 33 -6.696 -6.279 7.949 1.00 0.00 H new ATOM 0 HA TYR A 33 -7.521 -8.026 5.769 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -8.645 -5.293 6.278 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -8.208 -5.683 4.626 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -10.285 -6.854 7.496 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -9.632 -7.046 3.290 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -12.405 -8.060 7.223 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -11.754 -8.248 3.014 1.00 0.00 H new ATOM 0 HH TYR A 33 -13.537 -9.102 3.999 1.00 0.00 H new ATOM 488 N VAL A 34 -5.772 -6.890 4.258 1.00 0.00 N ATOM 489 CA VAL A 34 -4.542 -6.498 3.581 1.00 0.00 C ATOM 490 C VAL A 34 -4.801 -6.171 2.115 1.00 0.00 C ATOM 491 O VAL A 34 -5.341 -6.990 1.372 1.00 0.00 O ATOM 492 CB VAL A 34 -3.476 -7.607 3.668 1.00 0.00 C ATOM 493 CG1 VAL A 34 -2.861 -7.649 5.058 1.00 0.00 C ATOM 494 CG2 VAL A 34 -4.079 -8.954 3.301 1.00 0.00 C ATOM 0 H VAL A 34 -6.401 -7.461 3.693 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.172 -5.607 4.088 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.684 -7.383 2.954 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.111 -8.438 5.100 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.392 -6.690 5.277 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.639 -7.849 5.794 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.312 -9.726 3.368 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.891 -9.189 3.989 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.466 -8.914 2.283 1.00 0.00 H new ATOM 504 N ASN A 35 -4.412 -4.968 1.705 1.00 0.00 N ATOM 505 CA ASN A 35 -4.602 -4.532 0.326 1.00 0.00 C ATOM 506 C ASN A 35 -3.470 -5.034 -0.565 1.00 0.00 C ATOM 507 O ASN A 35 -2.334 -4.573 -0.461 1.00 0.00 O ATOM 508 CB ASN A 35 -4.681 -3.006 0.258 1.00 0.00 C ATOM 509 CG ASN A 35 -5.527 -2.521 -0.903 1.00 0.00 C ATOM 510 OD1 ASN A 35 -5.939 -3.308 -1.756 1.00 0.00 O ATOM 511 ND2 ASN A 35 -5.790 -1.220 -0.941 1.00 0.00 N ATOM 0 H ASN A 35 -3.964 -4.278 2.308 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.539 -4.954 -0.036 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.097 -2.625 1.191 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.675 -2.597 0.166 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.354 -0.836 -1.699 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.428 -0.605 -0.212 1.00 0.00 H new ATOM 518 N MET A 36 -3.789 -5.982 -1.440 1.00 0.00 N ATOM 519 CA MET A 36 -2.799 -6.545 -2.351 1.00 0.00 C ATOM 520 C MET A 36 -2.301 -5.490 -3.333 1.00 0.00 C ATOM 521 O MET A 36 -1.126 -5.475 -3.701 1.00 0.00 O ATOM 522 CB MET A 36 -3.393 -7.730 -3.115 1.00 0.00 C ATOM 523 CG MET A 36 -3.223 -9.061 -2.400 1.00 0.00 C ATOM 524 SD MET A 36 -1.689 -9.897 -2.845 1.00 0.00 S ATOM 525 CE MET A 36 -0.972 -10.173 -1.227 1.00 0.00 C ATOM 0 H MET A 36 -4.725 -6.376 -1.538 1.00 0.00 H new ATOM 0 HA MET A 36 -1.953 -6.892 -1.758 1.00 0.00 H new ATOM 0 HB2 MET A 36 -4.455 -7.549 -3.281 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.923 -7.791 -4.096 1.00 0.00 H new ATOM 0 HG2 MET A 36 -3.243 -8.896 -1.323 1.00 0.00 H new ATOM 0 HG3 MET A 36 -4.067 -9.708 -2.639 1.00 0.00 H new ATOM 0 HE1 MET A 36 -0.015 -10.684 -1.335 1.00 0.00 H new ATOM 0 HE2 MET A 36 -0.818 -9.216 -0.729 1.00 0.00 H new ATOM 0 HE3 MET A 36 -1.646 -10.788 -0.630 1.00 0.00 H new ATOM 535 N THR A 37 -3.202 -4.608 -3.755 1.00 0.00 N ATOM 536 CA THR A 37 -2.854 -3.551 -4.696 1.00 0.00 C ATOM 537 C THR A 37 -1.878 -2.560 -4.072 1.00 0.00 C ATOM 538 O THR A 37 -0.973 -2.060 -4.741 1.00 0.00 O ATOM 539 CB THR A 37 -4.105 -2.790 -5.173 1.00 0.00 C ATOM 540 OG1 THR A 37 -4.811 -3.569 -6.146 1.00 0.00 O ATOM 541 CG2 THR A 37 -3.725 -1.445 -5.773 1.00 0.00 C ATOM 0 H THR A 37 -4.178 -4.605 -3.460 1.00 0.00 H new ATOM 0 HA THR A 37 -2.382 -4.032 -5.552 1.00 0.00 H new ATOM 0 HB THR A 37 -4.748 -2.616 -4.310 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.606 -3.079 -6.443 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.625 -0.926 -6.103 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.214 -0.843 -5.022 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.063 -1.601 -6.625 1.00 0.00 H new ATOM 549 N VAL A 38 -2.066 -2.280 -2.787 1.00 0.00 N ATOM 550 CA VAL A 38 -1.200 -1.349 -2.072 1.00 0.00 C ATOM 551 C VAL A 38 -0.333 -2.078 -1.052 1.00 0.00 C ATOM 552 O VAL A 38 0.279 -1.456 -0.185 1.00 0.00 O ATOM 553 CB VAL A 38 -2.019 -0.262 -1.351 1.00 0.00 C ATOM 554 CG1 VAL A 38 -1.130 0.911 -0.969 1.00 0.00 C ATOM 555 CG2 VAL A 38 -3.178 0.198 -2.222 1.00 0.00 C ATOM 0 H VAL A 38 -2.810 -2.684 -2.219 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.559 -0.876 -2.817 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.430 -0.689 -0.436 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.726 1.669 -0.461 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.338 0.566 -0.304 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.688 1.340 -1.868 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.746 0.966 -1.697 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.792 0.607 -3.155 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.829 -0.649 -2.439 1.00 0.00 H new ATOM 565 N GLY A 39 -0.285 -3.402 -1.163 1.00 0.00 N ATOM 566 CA GLY A 39 0.510 -4.195 -0.244 1.00 0.00 C ATOM 567 C GLY A 39 0.532 -3.613 1.155 1.00 0.00 C ATOM 568 O GLY A 39 1.552 -3.665 1.842 1.00 0.00 O ATOM 0 H GLY A 39 -0.783 -3.939 -1.873 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.112 -5.209 -0.206 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.530 -4.267 -0.620 1.00 0.00 H new ATOM 572 N SER A 40 -0.598 -3.055 1.580 1.00 0.00 N ATOM 573 CA SER A 40 -0.703 -2.455 2.905 1.00 0.00 C ATOM 574 C SER A 40 -1.611 -3.286 3.807 1.00 0.00 C ATOM 575 O SER A 40 -2.182 -4.289 3.377 1.00 0.00 O ATOM 576 CB SER A 40 -1.240 -1.026 2.800 1.00 0.00 C ATOM 577 OG SER A 40 -2.611 -1.021 2.443 1.00 0.00 O ATOM 0 H SER A 40 -1.453 -3.006 1.026 1.00 0.00 H new ATOM 0 HA SER A 40 0.294 -2.430 3.345 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.107 -0.513 3.753 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.666 -0.472 2.057 1.00 0.00 H new ATOM 0 HG SER A 40 -2.982 -0.124 2.581 1.00 0.00 H new ATOM 583 N PHE A 41 -1.739 -2.862 5.059 1.00 0.00 N ATOM 584 CA PHE A 41 -2.576 -3.566 6.023 1.00 0.00 C ATOM 585 C PHE A 41 -3.789 -2.725 6.407 1.00 0.00 C ATOM 586 O PHE A 41 -3.658 -1.676 7.039 1.00 0.00 O ATOM 587 CB PHE A 41 -1.766 -3.914 7.274 1.00 0.00 C ATOM 588 CG PHE A 41 -0.842 -5.083 7.084 1.00 0.00 C ATOM 589 CD1 PHE A 41 0.258 -4.983 6.247 1.00 0.00 C ATOM 590 CD2 PHE A 41 -1.073 -6.280 7.742 1.00 0.00 C ATOM 591 CE1 PHE A 41 1.112 -6.056 6.070 1.00 0.00 C ATOM 592 CE2 PHE A 41 -0.223 -7.356 7.569 1.00 0.00 C ATOM 593 CZ PHE A 41 0.870 -7.245 6.731 1.00 0.00 C ATOM 0 H PHE A 41 -1.274 -2.034 5.430 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.928 -4.487 5.557 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.181 -3.044 7.572 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -2.452 -4.133 8.092 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.450 -4.056 5.727 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.926 -6.373 8.397 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.967 -5.965 5.416 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.413 -8.283 8.089 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.534 -8.086 6.593 1.00 0.00 H new ATOM 603 N VAL A 42 -4.972 -3.192 6.020 1.00 0.00 N ATOM 604 CA VAL A 42 -6.210 -2.484 6.323 1.00 0.00 C ATOM 605 C VAL A 42 -7.180 -3.377 7.089 1.00 0.00 C ATOM 606 O VAL A 42 -6.848 -4.506 7.452 1.00 0.00 O ATOM 607 CB VAL A 42 -6.897 -1.980 5.040 1.00 0.00 C ATOM 608 CG1 VAL A 42 -6.068 -0.886 4.385 1.00 0.00 C ATOM 609 CG2 VAL A 42 -7.134 -3.132 4.075 1.00 0.00 C ATOM 0 H VAL A 42 -5.099 -4.058 5.496 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.942 -1.628 6.942 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.865 -1.557 5.309 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.569 -0.542 3.480 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.955 -0.051 5.077 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.084 -1.279 4.128 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.620 -2.758 3.174 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.180 -3.587 3.810 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -7.772 -3.878 4.549 1.00 0.00 H new ATOM 619 N CYS A 43 -8.382 -2.865 7.331 1.00 0.00 N ATOM 620 CA CYS A 43 -9.403 -3.614 8.053 1.00 0.00 C ATOM 621 C CYS A 43 -10.629 -3.849 7.175 1.00 0.00 C ATOM 622 O CYS A 43 -10.654 -3.460 6.007 1.00 0.00 O ATOM 623 CB CYS A 43 -9.808 -2.868 9.326 1.00 0.00 C ATOM 624 SG CYS A 43 -10.934 -1.465 9.038 1.00 0.00 S ATOM 0 H CYS A 43 -8.673 -1.933 7.037 1.00 0.00 H new ATOM 0 HA CYS A 43 -8.983 -4.582 8.326 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -10.286 -3.570 10.009 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -8.909 -2.503 9.822 1.00 0.00 H new ATOM 629 N THR A 44 -11.645 -4.489 7.746 1.00 0.00 N ATOM 630 CA THR A 44 -12.873 -4.777 7.017 1.00 0.00 C ATOM 631 C THR A 44 -13.573 -3.492 6.589 1.00 0.00 C ATOM 632 O THR A 44 -13.759 -3.243 5.398 1.00 0.00 O ATOM 633 CB THR A 44 -13.846 -5.619 7.865 1.00 0.00 C ATOM 634 OG1 THR A 44 -13.112 -6.512 8.709 1.00 0.00 O ATOM 635 CG2 THR A 44 -14.790 -6.414 6.976 1.00 0.00 C ATOM 0 H THR A 44 -11.641 -4.818 8.712 1.00 0.00 H new ATOM 0 HA THR A 44 -12.588 -5.345 6.132 1.00 0.00 H new ATOM 0 HB THR A 44 -14.437 -4.941 8.481 1.00 0.00 H new ATOM 0 HG1 THR A 44 -12.281 -6.776 8.261 1.00 0.00 H new ATOM 0 HG21 THR A 44 -15.467 -7.000 7.597 1.00 0.00 H new ATOM 0 HG22 THR A 44 -15.368 -5.730 6.355 1.00 0.00 H new ATOM 0 HG23 THR A 44 -14.212 -7.083 6.338 1.00 0.00 H new ATOM 643 N SER A 45 -13.957 -2.678 7.567 1.00 0.00 N ATOM 644 CA SER A 45 -14.639 -1.419 7.291 1.00 0.00 C ATOM 645 C SER A 45 -14.050 -0.742 6.057 1.00 0.00 C ATOM 646 O SER A 45 -14.776 -0.360 5.138 1.00 0.00 O ATOM 647 CB SER A 45 -14.536 -0.484 8.498 1.00 0.00 C ATOM 648 OG SER A 45 -15.261 -0.996 9.603 1.00 0.00 O ATOM 0 H SER A 45 -13.807 -2.868 8.558 1.00 0.00 H new ATOM 0 HA SER A 45 -15.689 -1.637 7.098 1.00 0.00 H new ATOM 0 HB2 SER A 45 -13.489 -0.355 8.774 1.00 0.00 H new ATOM 0 HB3 SER A 45 -14.919 0.501 8.233 1.00 0.00 H new ATOM 0 HG SER A 45 -15.178 -0.381 10.362 1.00 0.00 H new ATOM 654 N CYS A 46 -12.729 -0.596 6.044 1.00 0.00 N ATOM 655 CA CYS A 46 -12.041 0.036 4.925 1.00 0.00 C ATOM 656 C CYS A 46 -12.058 -0.869 3.695 1.00 0.00 C ATOM 657 O CYS A 46 -12.347 -0.420 2.586 1.00 0.00 O ATOM 658 CB CYS A 46 -10.597 0.366 5.308 1.00 0.00 C ATOM 659 SG CYS A 46 -10.441 1.383 6.811 1.00 0.00 S ATOM 0 H CYS A 46 -12.114 -0.907 6.796 1.00 0.00 H new ATOM 0 HA CYS A 46 -12.566 0.960 4.683 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -10.049 -0.565 5.454 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -10.122 0.889 4.478 1.00 0.00 H new ATOM 664 N SER A 47 -11.747 -2.144 3.902 1.00 0.00 N ATOM 665 CA SER A 47 -11.723 -3.111 2.811 1.00 0.00 C ATOM 666 C SER A 47 -12.988 -3.006 1.963 1.00 0.00 C ATOM 667 O SER A 47 -12.936 -3.095 0.737 1.00 0.00 O ATOM 668 CB SER A 47 -11.583 -4.531 3.363 1.00 0.00 C ATOM 669 OG SER A 47 -12.284 -5.463 2.557 1.00 0.00 O ATOM 0 H SER A 47 -11.508 -2.532 4.815 1.00 0.00 H new ATOM 0 HA SER A 47 -10.863 -2.887 2.179 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.529 -4.805 3.408 1.00 0.00 H new ATOM 0 HB3 SER A 47 -11.966 -4.567 4.383 1.00 0.00 H new ATOM 0 HG SER A 47 -12.320 -6.329 3.014 1.00 0.00 H new ATOM 675 N GLY A 48 -14.124 -2.815 2.628 1.00 0.00 N ATOM 676 CA GLY A 48 -15.386 -2.700 1.921 1.00 0.00 C ATOM 677 C GLY A 48 -15.502 -1.402 1.148 1.00 0.00 C ATOM 678 O GLY A 48 -16.128 -1.355 0.089 1.00 0.00 O ATOM 0 H GLY A 48 -14.192 -2.738 3.643 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -15.491 -3.539 1.233 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -16.206 -2.768 2.635 1.00 0.00 H new ATOM 682 N SER A 49 -14.897 -0.343 1.677 1.00 0.00 N ATOM 683 CA SER A 49 -14.939 0.964 1.033 1.00 0.00 C ATOM 684 C SER A 49 -13.978 1.017 -0.151 1.00 0.00 C ATOM 685 O SER A 49 -14.277 1.621 -1.182 1.00 0.00 O ATOM 686 CB SER A 49 -14.591 2.063 2.038 1.00 0.00 C ATOM 687 OG SER A 49 -13.220 2.015 2.391 1.00 0.00 O ATOM 0 H SER A 49 -14.371 -0.365 2.551 1.00 0.00 H new ATOM 0 HA SER A 49 -15.951 1.128 0.664 1.00 0.00 H new ATOM 0 HB2 SER A 49 -14.826 3.038 1.611 1.00 0.00 H new ATOM 0 HB3 SER A 49 -15.204 1.950 2.932 1.00 0.00 H new ATOM 0 HG SER A 49 -12.927 1.081 2.440 1.00 0.00 H new ATOM 693 N LEU A 50 -12.821 0.382 0.006 1.00 0.00 N ATOM 694 CA LEU A 50 -11.814 0.357 -1.049 1.00 0.00 C ATOM 695 C LEU A 50 -12.379 -0.255 -2.327 1.00 0.00 C ATOM 696 O LEU A 50 -12.030 0.160 -3.432 1.00 0.00 O ATOM 697 CB LEU A 50 -10.587 -0.434 -0.590 1.00 0.00 C ATOM 698 CG LEU A 50 -9.555 0.343 0.229 1.00 0.00 C ATOM 699 CD1 LEU A 50 -8.659 -0.612 1.002 1.00 0.00 C ATOM 700 CD2 LEU A 50 -8.725 1.242 -0.676 1.00 0.00 C ATOM 0 H LEU A 50 -12.558 -0.122 0.853 1.00 0.00 H new ATOM 0 HA LEU A 50 -11.519 1.385 -1.261 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.928 -1.283 0.003 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.091 -0.840 -1.471 1.00 0.00 H new ATOM 0 HG LEU A 50 -10.085 0.971 0.945 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.931 -0.041 1.579 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -9.266 -1.214 1.678 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -8.136 -1.266 0.304 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.996 1.788 -0.077 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -8.205 0.633 -1.415 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -9.379 1.950 -1.185 1.00 0.00 H new ATOM 712 N ARG A 51 -13.254 -1.243 -2.167 1.00 0.00 N ATOM 713 CA ARG A 51 -13.868 -1.911 -3.308 1.00 0.00 C ATOM 714 C ARG A 51 -14.765 -0.950 -4.083 1.00 0.00 C ATOM 715 O ARG A 51 -15.205 -1.252 -5.191 1.00 0.00 O ATOM 716 CB ARG A 51 -14.680 -3.120 -2.842 1.00 0.00 C ATOM 717 CG ARG A 51 -13.835 -4.215 -2.212 1.00 0.00 C ATOM 718 CD ARG A 51 -14.455 -5.588 -2.424 1.00 0.00 C ATOM 719 NE ARG A 51 -13.607 -6.657 -1.904 1.00 0.00 N ATOM 720 CZ ARG A 51 -14.052 -7.875 -1.618 1.00 0.00 C ATOM 721 NH1 ARG A 51 -15.330 -8.177 -1.800 1.00 0.00 N ATOM 722 NH2 ARG A 51 -13.219 -8.795 -1.149 1.00 0.00 N ATOM 0 H ARG A 51 -13.553 -1.598 -1.259 1.00 0.00 H new ATOM 0 HA ARG A 51 -13.071 -2.251 -3.970 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -15.427 -2.789 -2.121 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -15.220 -3.534 -3.693 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.834 -4.196 -2.642 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -13.727 -4.024 -1.144 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -15.428 -5.626 -1.934 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -14.628 -5.747 -3.488 1.00 0.00 H new ATOM 0 HE ARG A 51 -12.618 -6.457 -1.752 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -15.974 -7.473 -2.161 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -15.669 -9.113 -1.580 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -12.235 -8.567 -1.008 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -13.563 -9.730 -0.930 1.00 0.00 H new ATOM 736 N GLY A 52 -15.033 0.210 -3.490 1.00 0.00 N ATOM 737 CA GLY A 52 -15.877 1.197 -4.138 1.00 0.00 C ATOM 738 C GLY A 52 -15.138 1.982 -5.203 1.00 0.00 C ATOM 739 O GLY A 52 -15.697 2.294 -6.255 1.00 0.00 O ATOM 0 H GLY A 52 -14.681 0.483 -2.573 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -16.735 0.697 -4.589 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -16.267 1.886 -3.388 1.00 0.00 H new ATOM 743 N LEU A 53 -13.878 2.304 -4.931 1.00 0.00 N ATOM 744 CA LEU A 53 -13.061 3.060 -5.874 1.00 0.00 C ATOM 745 C LEU A 53 -13.071 2.404 -7.251 1.00 0.00 C ATOM 746 O LEU A 53 -13.590 1.301 -7.420 1.00 0.00 O ATOM 747 CB LEU A 53 -11.624 3.170 -5.359 1.00 0.00 C ATOM 748 CG LEU A 53 -11.456 3.762 -3.959 1.00 0.00 C ATOM 749 CD1 LEU A 53 -9.990 3.771 -3.556 1.00 0.00 C ATOM 750 CD2 LEU A 53 -12.036 5.167 -3.901 1.00 0.00 C ATOM 0 H LEU A 53 -13.400 2.053 -4.065 1.00 0.00 H new ATOM 0 HA LEU A 53 -13.486 4.060 -5.965 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.179 2.175 -5.367 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -11.054 3.779 -6.060 1.00 0.00 H new ATOM 0 HG LEU A 53 -12.002 3.136 -3.253 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.890 4.196 -2.557 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.606 2.751 -3.557 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -9.421 4.373 -4.265 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -11.908 5.572 -2.897 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.519 5.804 -4.619 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -13.098 5.133 -4.145 1.00 0.00 H new ATOM 762 N ASN A 54 -12.492 3.089 -8.231 1.00 0.00 N ATOM 763 CA ASN A 54 -12.433 2.573 -9.594 1.00 0.00 C ATOM 764 C ASN A 54 -11.123 2.968 -10.269 1.00 0.00 C ATOM 765 O ASN A 54 -10.813 4.148 -10.436 1.00 0.00 O ATOM 766 CB ASN A 54 -13.618 3.092 -10.410 1.00 0.00 C ATOM 767 CG ASN A 54 -13.856 2.277 -11.667 1.00 0.00 C ATOM 768 OD1 ASN A 54 -14.430 1.189 -11.615 1.00 0.00 O ATOM 769 ND2 ASN A 54 -13.414 2.801 -12.804 1.00 0.00 N ATOM 0 H ASN A 54 -12.057 4.003 -8.107 1.00 0.00 H new ATOM 0 HA ASN A 54 -12.483 1.485 -9.547 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -14.516 3.074 -9.793 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -13.440 4.132 -10.683 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -13.545 2.299 -13.682 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -12.944 3.706 -12.800 1.00 0.00 H new ATOM 776 N PRO A 55 -10.336 1.958 -10.669 1.00 0.00 N ATOM 777 CA PRO A 55 -10.694 0.550 -10.475 1.00 0.00 C ATOM 778 C PRO A 55 -10.647 0.136 -9.009 1.00 0.00 C ATOM 779 O PRO A 55 -9.908 0.702 -8.202 1.00 0.00 O ATOM 780 CB PRO A 55 -9.628 -0.200 -11.277 1.00 0.00 C ATOM 781 CG PRO A 55 -8.461 0.724 -11.314 1.00 0.00 C ATOM 782 CD PRO A 55 -9.034 2.114 -11.339 1.00 0.00 C ATOM 0 HA PRO A 55 -11.715 0.341 -10.796 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -9.369 -1.146 -10.802 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -9.980 -0.433 -12.282 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.822 0.581 -10.442 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.845 0.540 -12.194 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.394 2.822 -10.813 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.148 2.483 -12.358 1.00 0.00 H new ATOM 790 N PRO A 56 -11.452 -0.875 -8.652 1.00 0.00 N ATOM 791 CA PRO A 56 -11.520 -1.388 -7.281 1.00 0.00 C ATOM 792 C PRO A 56 -10.249 -2.128 -6.875 1.00 0.00 C ATOM 793 O PRO A 56 -9.712 -2.927 -7.643 1.00 0.00 O ATOM 794 CB PRO A 56 -12.709 -2.351 -7.320 1.00 0.00 C ATOM 795 CG PRO A 56 -12.804 -2.778 -8.744 1.00 0.00 C ATOM 796 CD PRO A 56 -12.359 -1.597 -9.561 1.00 0.00 C ATOM 0 HA PRO A 56 -11.628 -0.586 -6.551 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -12.549 -3.204 -6.661 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -13.626 -1.862 -6.991 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.171 -3.645 -8.934 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.824 -3.066 -8.998 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.850 -1.908 -10.473 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -13.203 -0.977 -9.863 1.00 0.00 H new ATOM 804 N HIS A 57 -9.773 -1.857 -5.664 1.00 0.00 N ATOM 805 CA HIS A 57 -8.565 -2.498 -5.157 1.00 0.00 C ATOM 806 C HIS A 57 -8.849 -3.937 -4.738 1.00 0.00 C ATOM 807 O HIS A 57 -9.983 -4.408 -4.830 1.00 0.00 O ATOM 808 CB HIS A 57 -8.004 -1.711 -3.972 1.00 0.00 C ATOM 809 CG HIS A 57 -7.456 -0.369 -4.349 1.00 0.00 C ATOM 810 ND1 HIS A 57 -6.734 0.420 -3.480 1.00 0.00 N ATOM 811 CD2 HIS A 57 -7.528 0.321 -5.511 1.00 0.00 C ATOM 812 CE1 HIS A 57 -6.386 1.539 -4.090 1.00 0.00 C ATOM 813 NE2 HIS A 57 -6.855 1.504 -5.324 1.00 0.00 N ATOM 0 H HIS A 57 -10.205 -1.198 -5.016 1.00 0.00 H new ATOM 0 HA HIS A 57 -7.826 -2.510 -5.958 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -8.791 -1.577 -3.230 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -7.216 -2.296 -3.498 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -8.022 0.001 -6.416 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -5.815 2.345 -3.654 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -6.737 2.236 -6.024 1.00 0.00 H new ATOM 821 N ARG A 58 -7.812 -4.631 -4.280 1.00 0.00 N ATOM 822 CA ARG A 58 -7.950 -6.017 -3.850 1.00 0.00 C ATOM 823 C ARG A 58 -7.749 -6.141 -2.342 1.00 0.00 C ATOM 824 O ARG A 58 -6.654 -5.909 -1.830 1.00 0.00 O ATOM 825 CB ARG A 58 -6.943 -6.904 -4.584 1.00 0.00 C ATOM 826 CG ARG A 58 -7.442 -7.408 -5.928 1.00 0.00 C ATOM 827 CD ARG A 58 -7.266 -6.360 -7.016 1.00 0.00 C ATOM 828 NE ARG A 58 -8.218 -6.540 -8.109 1.00 0.00 N ATOM 829 CZ ARG A 58 -8.084 -5.970 -9.301 1.00 0.00 C ATOM 830 NH1 ARG A 58 -7.043 -5.189 -9.554 1.00 0.00 N ATOM 831 NH2 ARG A 58 -8.993 -6.182 -10.245 1.00 0.00 N ATOM 0 H ARG A 58 -6.867 -4.256 -4.197 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.960 -6.348 -4.093 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.021 -6.343 -4.735 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.697 -7.758 -3.954 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.900 -8.313 -6.202 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -8.495 -7.678 -5.848 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.392 -5.366 -6.586 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.250 -6.412 -7.408 1.00 0.00 H new ATOM 0 HE ARG A 58 -9.030 -7.136 -7.948 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.342 -5.024 -8.832 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.943 -4.753 -10.471 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -9.795 -6.783 -10.055 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -8.889 -5.744 -11.160 1.00 0.00 H new ATOM 845 N VAL A 59 -8.814 -6.507 -1.636 1.00 0.00 N ATOM 846 CA VAL A 59 -8.755 -6.662 -0.188 1.00 0.00 C ATOM 847 C VAL A 59 -9.119 -8.083 0.228 1.00 0.00 C ATOM 848 O VAL A 59 -10.217 -8.563 -0.055 1.00 0.00 O ATOM 849 CB VAL A 59 -9.699 -5.673 0.522 1.00 0.00 C ATOM 850 CG1 VAL A 59 -9.060 -4.296 0.611 1.00 0.00 C ATOM 851 CG2 VAL A 59 -11.036 -5.604 -0.199 1.00 0.00 C ATOM 0 H VAL A 59 -9.728 -6.702 -2.044 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.728 -6.451 0.111 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.877 -6.030 1.536 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.741 -3.611 1.115 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.129 -4.363 1.174 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.851 -3.926 -0.393 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -11.691 -4.901 0.316 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.879 -5.270 -1.225 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -11.497 -6.592 -0.205 1.00 0.00 H new ATOM 861 N LYS A 60 -8.190 -8.753 0.903 1.00 0.00 N ATOM 862 CA LYS A 60 -8.413 -10.119 1.361 1.00 0.00 C ATOM 863 C LYS A 60 -8.220 -10.225 2.870 1.00 0.00 C ATOM 864 O LYS A 60 -7.191 -9.813 3.405 1.00 0.00 O ATOM 865 CB LYS A 60 -7.460 -11.080 0.645 1.00 0.00 C ATOM 866 CG LYS A 60 -7.673 -11.141 -0.857 1.00 0.00 C ATOM 867 CD LYS A 60 -6.651 -12.043 -1.529 1.00 0.00 C ATOM 868 CE LYS A 60 -7.136 -13.484 -1.592 1.00 0.00 C ATOM 869 NZ LYS A 60 -8.118 -13.690 -2.693 1.00 0.00 N ATOM 0 H LYS A 60 -7.275 -8.371 1.145 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.441 -10.392 1.124 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.433 -10.776 0.846 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.584 -12.079 1.062 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.678 -11.507 -1.068 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.605 -10.137 -1.276 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.451 -11.681 -2.537 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.709 -11.998 -0.982 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.284 -14.148 -1.736 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.594 -13.755 -0.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.425 -14.684 -2.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.943 -13.075 -2.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.673 -13.456 -3.603 1.00 0.00 H new ATOM 883 N SER A 61 -9.216 -10.782 3.551 1.00 0.00 N ATOM 884 CA SER A 61 -9.157 -10.940 5.000 1.00 0.00 C ATOM 885 C SER A 61 -7.785 -11.446 5.435 1.00 0.00 C ATOM 886 O SER A 61 -7.067 -12.074 4.657 1.00 0.00 O ATOM 887 CB SER A 61 -10.244 -11.908 5.473 1.00 0.00 C ATOM 888 OG SER A 61 -10.521 -12.886 4.486 1.00 0.00 O ATOM 0 H SER A 61 -10.073 -11.131 3.123 1.00 0.00 H new ATOM 0 HA SER A 61 -9.326 -9.964 5.455 1.00 0.00 H new ATOM 0 HB2 SER A 61 -9.925 -12.396 6.394 1.00 0.00 H new ATOM 0 HB3 SER A 61 -11.153 -11.353 5.705 1.00 0.00 H new ATOM 0 HG SER A 61 -11.488 -12.936 4.338 1.00 0.00 H new ATOM 894 N ILE A 62 -7.428 -11.166 6.684 1.00 0.00 N ATOM 895 CA ILE A 62 -6.143 -11.593 7.225 1.00 0.00 C ATOM 896 C ILE A 62 -6.246 -12.975 7.860 1.00 0.00 C ATOM 897 O ILE A 62 -5.348 -13.805 7.715 1.00 0.00 O ATOM 898 CB ILE A 62 -5.614 -10.596 8.273 1.00 0.00 C ATOM 899 CG1 ILE A 62 -5.046 -9.353 7.585 1.00 0.00 C ATOM 900 CG2 ILE A 62 -4.557 -11.256 9.145 1.00 0.00 C ATOM 901 CD1 ILE A 62 -4.556 -8.298 8.552 1.00 0.00 C ATOM 0 H ILE A 62 -8.010 -10.646 7.340 1.00 0.00 H new ATOM 0 HA ILE A 62 -5.445 -11.632 6.388 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.442 -10.288 8.911 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -4.222 -9.651 6.937 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.814 -8.919 6.945 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.193 -10.539 9.881 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.992 -12.113 9.658 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.727 -11.589 8.522 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -4.167 -7.446 7.994 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.382 -7.972 9.184 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.765 -8.715 9.176 1.00 0.00 H new ATOM 913 N SER A 63 -7.347 -13.216 8.565 1.00 0.00 N ATOM 914 CA SER A 63 -7.567 -14.498 9.225 1.00 0.00 C ATOM 915 C SER A 63 -8.547 -15.357 8.432 1.00 0.00 C ATOM 916 O SER A 63 -8.265 -16.514 8.121 1.00 0.00 O ATOM 917 CB SER A 63 -8.095 -14.280 10.645 1.00 0.00 C ATOM 918 OG SER A 63 -8.502 -15.505 11.230 1.00 0.00 O ATOM 0 H SER A 63 -8.100 -12.541 8.694 1.00 0.00 H new ATOM 0 HA SER A 63 -6.612 -15.021 9.276 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.320 -13.820 11.258 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.936 -13.587 10.622 1.00 0.00 H new ATOM 0 HG SER A 63 -8.834 -15.340 12.137 1.00 0.00 H new ATOM 924 N MET A 64 -9.700 -14.781 8.107 1.00 0.00 N ATOM 925 CA MET A 64 -10.722 -15.493 7.349 1.00 0.00 C ATOM 926 C MET A 64 -10.151 -16.034 6.042 1.00 0.00 C ATOM 927 O MET A 64 -10.625 -17.042 5.516 1.00 0.00 O ATOM 928 CB MET A 64 -11.907 -14.569 7.058 1.00 0.00 C ATOM 929 CG MET A 64 -13.065 -15.267 6.363 1.00 0.00 C ATOM 930 SD MET A 64 -14.006 -16.328 7.476 1.00 0.00 S ATOM 931 CE MET A 64 -15.458 -16.659 6.481 1.00 0.00 C ATOM 0 H MET A 64 -9.950 -13.824 8.357 1.00 0.00 H new ATOM 0 HA MET A 64 -11.066 -16.335 7.951 1.00 0.00 H new ATOM 0 HB2 MET A 64 -12.262 -14.140 7.995 1.00 0.00 H new ATOM 0 HB3 MET A 64 -11.567 -13.740 6.437 1.00 0.00 H new ATOM 0 HG2 MET A 64 -13.730 -14.518 5.933 1.00 0.00 H new ATOM 0 HG3 MET A 64 -12.681 -15.865 5.536 1.00 0.00 H new ATOM 0 HE1 MET A 64 -16.139 -17.306 7.035 1.00 0.00 H new ATOM 0 HE2 MET A 64 -15.960 -15.720 6.246 1.00 0.00 H new ATOM 0 HE3 MET A 64 -15.160 -17.153 5.556 1.00 0.00 H new ATOM 941 N THR A 65 -9.131 -15.359 5.523 1.00 0.00 N ATOM 942 CA THR A 65 -8.497 -15.772 4.277 1.00 0.00 C ATOM 943 C THR A 65 -7.028 -16.119 4.496 1.00 0.00 C ATOM 944 O THR A 65 -6.306 -15.401 5.188 1.00 0.00 O ATOM 945 CB THR A 65 -8.597 -14.672 3.204 1.00 0.00 C ATOM 946 OG1 THR A 65 -9.945 -14.573 2.728 1.00 0.00 O ATOM 947 CG2 THR A 65 -7.663 -14.964 2.039 1.00 0.00 C ATOM 0 H THR A 65 -8.726 -14.524 5.946 1.00 0.00 H new ATOM 0 HA THR A 65 -9.030 -16.658 3.930 1.00 0.00 H new ATOM 0 HB THR A 65 -8.301 -13.726 3.657 1.00 0.00 H new ATOM 0 HG1 THR A 65 -10.499 -14.129 3.404 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.752 -14.173 1.294 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.635 -15.010 2.399 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.932 -15.919 1.588 1.00 0.00 H new ATOM 955 N THR A 66 -6.592 -17.225 3.902 1.00 0.00 N ATOM 956 CA THR A 66 -5.209 -17.668 4.032 1.00 0.00 C ATOM 957 C THR A 66 -4.345 -17.112 2.906 1.00 0.00 C ATOM 958 O THR A 66 -4.853 -16.725 1.853 1.00 0.00 O ATOM 959 CB THR A 66 -5.109 -19.205 4.030 1.00 0.00 C ATOM 960 OG1 THR A 66 -5.994 -19.755 5.012 1.00 0.00 O ATOM 961 CG2 THR A 66 -3.684 -19.655 4.316 1.00 0.00 C ATOM 0 H THR A 66 -7.177 -17.831 3.326 1.00 0.00 H new ATOM 0 HA THR A 66 -4.844 -17.289 4.987 1.00 0.00 H new ATOM 0 HB THR A 66 -5.395 -19.564 3.042 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.926 -20.733 5.003 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.638 -20.744 4.309 1.00 0.00 H new ATOM 0 HG22 THR A 66 -3.017 -19.259 3.550 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.375 -19.285 5.293 1.00 0.00 H new ATOM 969 N PHE A 67 -3.036 -17.076 3.133 1.00 0.00 N ATOM 970 CA PHE A 67 -2.101 -16.568 2.137 1.00 0.00 C ATOM 971 C PHE A 67 -1.034 -17.608 1.811 1.00 0.00 C ATOM 972 O PHE A 67 -1.000 -18.687 2.404 1.00 0.00 O ATOM 973 CB PHE A 67 -1.440 -15.282 2.637 1.00 0.00 C ATOM 974 CG PHE A 67 -2.416 -14.175 2.918 1.00 0.00 C ATOM 975 CD1 PHE A 67 -2.978 -13.450 1.880 1.00 0.00 C ATOM 976 CD2 PHE A 67 -2.772 -13.862 4.219 1.00 0.00 C ATOM 977 CE1 PHE A 67 -3.876 -12.431 2.136 1.00 0.00 C ATOM 978 CE2 PHE A 67 -3.670 -12.844 4.481 1.00 0.00 C ATOM 979 CZ PHE A 67 -4.223 -12.128 3.438 1.00 0.00 C ATOM 0 H PHE A 67 -2.599 -17.393 3.998 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.661 -16.351 1.227 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -0.880 -15.501 3.546 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.720 -14.940 1.893 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.712 -13.684 0.860 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.343 -14.420 5.039 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.306 -11.872 1.318 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.939 -12.609 5.500 1.00 0.00 H new ATOM 0 HZ PHE A 67 -4.925 -11.333 3.640 1.00 0.00 H new ATOM 989 N THR A 68 -0.162 -17.277 0.863 1.00 0.00 N ATOM 990 CA THR A 68 0.905 -18.182 0.456 1.00 0.00 C ATOM 991 C THR A 68 2.251 -17.467 0.427 1.00 0.00 C ATOM 992 O THR A 68 2.316 -16.258 0.206 1.00 0.00 O ATOM 993 CB THR A 68 0.628 -18.788 -0.933 1.00 0.00 C ATOM 994 OG1 THR A 68 1.847 -19.275 -1.507 1.00 0.00 O ATOM 995 CG2 THR A 68 0.003 -17.756 -1.859 1.00 0.00 C ATOM 0 H THR A 68 -0.174 -16.388 0.363 1.00 0.00 H new ATOM 0 HA THR A 68 0.938 -18.984 1.194 1.00 0.00 H new ATOM 0 HB THR A 68 -0.072 -19.615 -0.811 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.644 -19.799 -2.310 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.183 -18.207 -2.834 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.939 -17.409 -1.434 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.683 -16.912 -1.974 1.00 0.00 H new ATOM 1003 N GLN A 69 3.322 -18.222 0.651 1.00 0.00 N ATOM 1004 CA GLN A 69 4.666 -17.659 0.650 1.00 0.00 C ATOM 1005 C GLN A 69 4.817 -16.611 -0.448 1.00 0.00 C ATOM 1006 O GLN A 69 5.048 -15.435 -0.168 1.00 0.00 O ATOM 1007 CB GLN A 69 5.706 -18.765 0.461 1.00 0.00 C ATOM 1008 CG GLN A 69 7.059 -18.439 1.071 1.00 0.00 C ATOM 1009 CD GLN A 69 7.780 -17.329 0.332 1.00 0.00 C ATOM 1010 OE1 GLN A 69 7.810 -17.304 -0.899 1.00 0.00 O ATOM 1011 NE2 GLN A 69 8.367 -16.403 1.081 1.00 0.00 N ATOM 0 H GLN A 69 3.284 -19.225 0.835 1.00 0.00 H new ATOM 0 HA GLN A 69 4.830 -17.176 1.613 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.329 -19.686 0.905 1.00 0.00 H new ATOM 0 HB3 GLN A 69 5.833 -18.954 -0.605 1.00 0.00 H new ATOM 0 HG2 GLN A 69 6.923 -18.148 2.113 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.680 -19.335 1.069 1.00 0.00 H new ATOM 0 HE21 GLN A 69 8.317 -16.463 2.098 1.00 0.00 H new ATOM 0 HE22 GLN A 69 8.868 -15.632 0.639 1.00 0.00 H new ATOM 1020 N GLN A 70 4.685 -17.046 -1.697 1.00 0.00 N ATOM 1021 CA GLN A 70 4.807 -16.144 -2.836 1.00 0.00 C ATOM 1022 C GLN A 70 4.093 -14.824 -2.565 1.00 0.00 C ATOM 1023 O GLN A 70 4.565 -13.760 -2.963 1.00 0.00 O ATOM 1024 CB GLN A 70 4.235 -16.798 -4.095 1.00 0.00 C ATOM 1025 CG GLN A 70 2.854 -17.399 -3.894 1.00 0.00 C ATOM 1026 CD GLN A 70 2.020 -17.382 -5.160 1.00 0.00 C ATOM 1027 OE1 GLN A 70 1.990 -16.386 -5.884 1.00 0.00 O ATOM 1028 NE2 GLN A 70 1.337 -18.488 -5.435 1.00 0.00 N ATOM 0 H GLN A 70 4.494 -18.017 -1.946 1.00 0.00 H new ATOM 0 HA GLN A 70 5.866 -15.937 -2.991 1.00 0.00 H new ATOM 0 HB2 GLN A 70 4.186 -16.054 -4.891 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.917 -17.579 -4.430 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.956 -18.426 -3.545 1.00 0.00 H new ATOM 0 HG3 GLN A 70 2.332 -16.847 -3.112 1.00 0.00 H new ATOM 0 HE21 GLN A 70 1.391 -19.290 -4.807 1.00 0.00 H new ATOM 0 HE22 GLN A 70 0.759 -18.535 -6.274 1.00 0.00 H new ATOM 1037 N GLU A 71 2.953 -14.902 -1.886 1.00 0.00 N ATOM 1038 CA GLU A 71 2.173 -13.713 -1.564 1.00 0.00 C ATOM 1039 C GLU A 71 2.796 -12.955 -0.395 1.00 0.00 C ATOM 1040 O GLU A 71 3.066 -11.757 -0.491 1.00 0.00 O ATOM 1041 CB GLU A 71 0.731 -14.097 -1.227 1.00 0.00 C ATOM 1042 CG GLU A 71 -0.142 -14.315 -2.451 1.00 0.00 C ATOM 1043 CD GLU A 71 -0.792 -13.035 -2.940 1.00 0.00 C ATOM 1044 OE1 GLU A 71 -0.091 -12.218 -3.572 1.00 0.00 O ATOM 1045 OE2 GLU A 71 -2.001 -12.851 -2.690 1.00 0.00 O ATOM 0 H GLU A 71 2.549 -15.776 -1.548 1.00 0.00 H new ATOM 0 HA GLU A 71 2.172 -13.062 -2.438 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.737 -15.008 -0.628 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.290 -13.313 -0.611 1.00 0.00 H new ATOM 0 HG2 GLU A 71 0.462 -14.740 -3.252 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -0.917 -15.044 -2.215 1.00 0.00 H new ATOM 1052 N ILE A 72 3.020 -13.661 0.708 1.00 0.00 N ATOM 1053 CA ILE A 72 3.611 -13.056 1.895 1.00 0.00 C ATOM 1054 C ILE A 72 4.759 -12.124 1.524 1.00 0.00 C ATOM 1055 O ILE A 72 4.671 -10.911 1.710 1.00 0.00 O ATOM 1056 CB ILE A 72 4.129 -14.126 2.874 1.00 0.00 C ATOM 1057 CG1 ILE A 72 2.961 -14.926 3.455 1.00 0.00 C ATOM 1058 CG2 ILE A 72 4.939 -13.478 3.987 1.00 0.00 C ATOM 1059 CD1 ILE A 72 1.957 -14.074 4.200 1.00 0.00 C ATOM 0 H ILE A 72 2.801 -14.653 0.804 1.00 0.00 H new ATOM 0 HA ILE A 72 2.823 -12.481 2.381 1.00 0.00 H new ATOM 0 HB ILE A 72 4.779 -14.811 2.329 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.452 -15.450 2.646 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.352 -15.687 4.131 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.298 -14.247 4.671 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.789 -12.949 3.557 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.310 -12.773 4.531 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.157 -14.707 4.584 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.452 -13.570 5.030 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.537 -13.330 3.523 1.00 0.00 H new ATOM 1071 N GLU A 73 5.834 -12.700 0.996 1.00 0.00 N ATOM 1072 CA GLU A 73 7.000 -11.920 0.598 1.00 0.00 C ATOM 1073 C GLU A 73 6.581 -10.563 0.039 1.00 0.00 C ATOM 1074 O GLU A 73 6.954 -9.517 0.572 1.00 0.00 O ATOM 1075 CB GLU A 73 7.819 -12.682 -0.446 1.00 0.00 C ATOM 1076 CG GLU A 73 6.997 -13.658 -1.271 1.00 0.00 C ATOM 1077 CD GLU A 73 7.540 -13.837 -2.675 1.00 0.00 C ATOM 1078 OE1 GLU A 73 8.424 -14.699 -2.863 1.00 0.00 O ATOM 1079 OE2 GLU A 73 7.083 -13.115 -3.585 1.00 0.00 O ATOM 0 H GLU A 73 5.922 -13.703 0.834 1.00 0.00 H new ATOM 0 HA GLU A 73 7.615 -11.756 1.483 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.296 -11.966 -1.115 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.617 -13.227 0.058 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.975 -14.625 -0.768 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.967 -13.304 -1.326 1.00 0.00 H new ATOM 1086 N PHE A 74 5.804 -10.587 -1.039 1.00 0.00 N ATOM 1087 CA PHE A 74 5.335 -9.360 -1.671 1.00 0.00 C ATOM 1088 C PHE A 74 4.908 -8.337 -0.623 1.00 0.00 C ATOM 1089 O PHE A 74 5.406 -7.211 -0.599 1.00 0.00 O ATOM 1090 CB PHE A 74 4.167 -9.661 -2.613 1.00 0.00 C ATOM 1091 CG PHE A 74 3.355 -8.448 -2.967 1.00 0.00 C ATOM 1092 CD1 PHE A 74 3.697 -7.663 -4.057 1.00 0.00 C ATOM 1093 CD2 PHE A 74 2.250 -8.092 -2.210 1.00 0.00 C ATOM 1094 CE1 PHE A 74 2.951 -6.546 -4.386 1.00 0.00 C ATOM 1095 CE2 PHE A 74 1.501 -6.977 -2.534 1.00 0.00 C ATOM 1096 CZ PHE A 74 1.853 -6.202 -3.623 1.00 0.00 C ATOM 0 H PHE A 74 5.486 -11.443 -1.493 1.00 0.00 H new ATOM 0 HA PHE A 74 6.159 -8.940 -2.248 1.00 0.00 H new ATOM 0 HB2 PHE A 74 4.555 -10.109 -3.528 1.00 0.00 H new ATOM 0 HB3 PHE A 74 3.516 -10.401 -2.147 1.00 0.00 H new ATOM 0 HD1 PHE A 74 4.556 -7.927 -4.656 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.971 -8.693 -1.357 1.00 0.00 H new ATOM 0 HE1 PHE A 74 3.227 -5.943 -5.239 1.00 0.00 H new ATOM 0 HE2 PHE A 74 0.641 -6.711 -1.937 1.00 0.00 H new ATOM 0 HZ PHE A 74 1.270 -5.329 -3.877 1.00 0.00 H new ATOM 1106 N LEU A 75 3.981 -8.736 0.241 1.00 0.00 N ATOM 1107 CA LEU A 75 3.485 -7.854 1.292 1.00 0.00 C ATOM 1108 C LEU A 75 4.640 -7.215 2.056 1.00 0.00 C ATOM 1109 O LEU A 75 4.835 -6.001 2.001 1.00 0.00 O ATOM 1110 CB LEU A 75 2.589 -8.633 2.257 1.00 0.00 C ATOM 1111 CG LEU A 75 1.101 -8.670 1.909 1.00 0.00 C ATOM 1112 CD1 LEU A 75 0.400 -9.776 2.682 1.00 0.00 C ATOM 1113 CD2 LEU A 75 0.452 -7.324 2.194 1.00 0.00 C ATOM 0 H LEU A 75 3.558 -9.664 0.235 1.00 0.00 H new ATOM 0 HA LEU A 75 2.902 -7.062 0.823 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.954 -9.658 2.313 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.698 -8.201 3.252 1.00 0.00 H new ATOM 0 HG LEU A 75 1.002 -8.880 0.844 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.658 -9.787 2.422 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.847 -10.737 2.428 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.509 -9.597 3.752 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.607 -7.370 1.940 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.562 -7.084 3.252 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.936 -6.553 1.595 1.00 0.00 H new ATOM 1125 N GLN A 76 5.402 -8.040 2.767 1.00 0.00 N ATOM 1126 CA GLN A 76 6.539 -7.554 3.540 1.00 0.00 C ATOM 1127 C GLN A 76 7.375 -6.575 2.723 1.00 0.00 C ATOM 1128 O GLN A 76 7.647 -5.457 3.161 1.00 0.00 O ATOM 1129 CB GLN A 76 7.408 -8.726 4.000 1.00 0.00 C ATOM 1130 CG GLN A 76 6.714 -9.644 4.993 1.00 0.00 C ATOM 1131 CD GLN A 76 7.602 -10.785 5.450 1.00 0.00 C ATOM 1132 OE1 GLN A 76 8.060 -10.811 6.593 1.00 0.00 O ATOM 1133 NE2 GLN A 76 7.849 -11.738 4.558 1.00 0.00 N ATOM 0 H GLN A 76 5.253 -9.047 2.824 1.00 0.00 H new ATOM 0 HA GLN A 76 6.154 -7.031 4.415 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.709 -9.308 3.129 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.319 -8.336 4.454 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.399 -9.064 5.860 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.811 -10.051 4.537 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.449 -11.676 3.622 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.439 -12.531 4.809 1.00 0.00 H new ATOM 1142 N LYS A 77 7.782 -7.003 1.532 1.00 0.00 N ATOM 1143 CA LYS A 77 8.587 -6.165 0.652 1.00 0.00 C ATOM 1144 C LYS A 77 8.025 -4.748 0.585 1.00 0.00 C ATOM 1145 O LYS A 77 8.771 -3.779 0.444 1.00 0.00 O ATOM 1146 CB LYS A 77 8.642 -6.770 -0.753 1.00 0.00 C ATOM 1147 CG LYS A 77 9.560 -7.975 -0.860 1.00 0.00 C ATOM 1148 CD LYS A 77 9.450 -8.640 -2.222 1.00 0.00 C ATOM 1149 CE LYS A 77 10.299 -9.901 -2.296 1.00 0.00 C ATOM 1150 NZ LYS A 77 11.749 -9.587 -2.421 1.00 0.00 N ATOM 0 H LYS A 77 7.567 -7.926 1.155 1.00 0.00 H new ATOM 0 HA LYS A 77 9.596 -6.118 1.061 1.00 0.00 H new ATOM 0 HB2 LYS A 77 7.636 -7.062 -1.053 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.975 -6.006 -1.456 1.00 0.00 H new ATOM 0 HG2 LYS A 77 10.591 -7.665 -0.688 1.00 0.00 H new ATOM 0 HG3 LYS A 77 9.309 -8.695 -0.081 1.00 0.00 H new ATOM 0 HD2 LYS A 77 8.408 -8.889 -2.424 1.00 0.00 H new ATOM 0 HD3 LYS A 77 9.766 -7.941 -2.996 1.00 0.00 H new ATOM 0 HE2 LYS A 77 10.134 -10.503 -1.403 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.983 -10.502 -3.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 12.293 -10.472 -2.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 11.911 -9.034 -3.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 12.057 -9.035 -1.595 1.00 0.00 H new ATOM 1164 N HIS A 78 6.704 -4.635 0.688 1.00 0.00 N ATOM 1165 CA HIS A 78 6.042 -3.336 0.641 1.00 0.00 C ATOM 1166 C HIS A 78 5.772 -2.813 2.048 1.00 0.00 C ATOM 1167 O HIS A 78 6.461 -1.915 2.531 1.00 0.00 O ATOM 1168 CB HIS A 78 4.731 -3.436 -0.139 1.00 0.00 C ATOM 1169 CG HIS A 78 4.903 -3.300 -1.620 1.00 0.00 C ATOM 1170 ND1 HIS A 78 4.818 -4.367 -2.490 1.00 0.00 N ATOM 1171 CD2 HIS A 78 5.156 -2.212 -2.386 1.00 0.00 C ATOM 1172 CE1 HIS A 78 5.012 -3.942 -3.725 1.00 0.00 C ATOM 1173 NE2 HIS A 78 5.219 -2.638 -3.690 1.00 0.00 N ATOM 0 H HIS A 78 6.072 -5.427 0.804 1.00 0.00 H new ATOM 0 HA HIS A 78 6.705 -2.636 0.133 1.00 0.00 H new ATOM 0 HB2 HIS A 78 4.262 -4.396 0.077 1.00 0.00 H new ATOM 0 HB3 HIS A 78 4.049 -2.661 0.212 1.00 0.00 H new ATOM 0 HD2 HIS A 78 5.284 -1.198 -2.036 1.00 0.00 H new ATOM 0 HE1 HIS A 78 5.003 -4.556 -4.613 1.00 0.00 H new ATOM 0 HE2 HIS A 78 5.397 -2.044 -4.500 1.00 0.00 H new ATOM 1181 N GLY A 79 4.763 -3.381 2.702 1.00 0.00 N ATOM 1182 CA GLY A 79 4.419 -2.958 4.047 1.00 0.00 C ATOM 1183 C GLY A 79 4.119 -1.474 4.130 1.00 0.00 C ATOM 1184 O GLY A 79 4.534 -0.702 3.267 1.00 0.00 O ATOM 0 H GLY A 79 4.178 -4.126 2.324 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.551 -3.521 4.391 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.241 -3.197 4.721 1.00 0.00 H new ATOM 1188 N ASN A 80 3.395 -1.076 5.170 1.00 0.00 N ATOM 1189 CA ASN A 80 3.037 0.325 5.361 1.00 0.00 C ATOM 1190 C ASN A 80 4.279 1.174 5.615 1.00 0.00 C ATOM 1191 O ASN A 80 4.215 2.403 5.607 1.00 0.00 O ATOM 1192 CB ASN A 80 2.060 0.470 6.529 1.00 0.00 C ATOM 1193 CG ASN A 80 0.753 -0.260 6.283 1.00 0.00 C ATOM 1194 OD1 ASN A 80 0.575 -0.907 5.251 1.00 0.00 O ATOM 1195 ND2 ASN A 80 -0.169 -0.158 7.233 1.00 0.00 N ATOM 0 H ASN A 80 3.044 -1.703 5.894 1.00 0.00 H new ATOM 0 HA ASN A 80 2.557 0.678 4.449 1.00 0.00 H new ATOM 0 HB2 ASN A 80 2.523 0.084 7.437 1.00 0.00 H new ATOM 0 HB3 ASN A 80 1.856 1.527 6.700 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -1.068 -0.627 7.123 1.00 0.00 H new ATOM 0 HD22 ASN A 80 0.022 0.389 8.072 1.00 0.00 H new ATOM 1202 N GLU A 81 5.408 0.509 5.838 1.00 0.00 N ATOM 1203 CA GLU A 81 6.665 1.203 6.094 1.00 0.00 C ATOM 1204 C GLU A 81 6.968 2.207 4.986 1.00 0.00 C ATOM 1205 O GLU A 81 7.034 3.412 5.226 1.00 0.00 O ATOM 1206 CB GLU A 81 7.813 0.198 6.215 1.00 0.00 C ATOM 1207 CG GLU A 81 9.065 0.777 6.852 1.00 0.00 C ATOM 1208 CD GLU A 81 10.112 -0.279 7.146 1.00 0.00 C ATOM 1209 OE1 GLU A 81 10.209 -1.250 6.367 1.00 0.00 O ATOM 1210 OE2 GLU A 81 10.833 -0.136 8.156 1.00 0.00 O ATOM 0 H GLU A 81 5.478 -0.509 5.847 1.00 0.00 H new ATOM 0 HA GLU A 81 6.566 1.745 7.034 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.477 -0.655 6.804 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.061 -0.178 5.223 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.490 1.530 6.189 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.795 1.284 7.779 1.00 0.00 H new ATOM 1217 N VAL A 82 7.152 1.700 3.771 1.00 0.00 N ATOM 1218 CA VAL A 82 7.447 2.551 2.624 1.00 0.00 C ATOM 1219 C VAL A 82 6.172 2.936 1.882 1.00 0.00 C ATOM 1220 O VAL A 82 6.052 4.050 1.370 1.00 0.00 O ATOM 1221 CB VAL A 82 8.409 1.857 1.642 1.00 0.00 C ATOM 1222 CG1 VAL A 82 9.735 1.550 2.321 1.00 0.00 C ATOM 1223 CG2 VAL A 82 7.779 0.588 1.087 1.00 0.00 C ATOM 0 H VAL A 82 7.102 0.704 3.556 1.00 0.00 H new ATOM 0 HA VAL A 82 7.923 3.451 3.013 1.00 0.00 H new ATOM 0 HB VAL A 82 8.602 2.534 0.810 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.402 1.060 1.612 1.00 0.00 H new ATOM 0 HG12 VAL A 82 10.191 2.478 2.666 1.00 0.00 H new ATOM 0 HG13 VAL A 82 9.564 0.892 3.173 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.472 0.110 0.395 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.555 -0.095 1.906 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.857 0.839 0.562 1.00 0.00 H new ATOM 1233 N CYS A 83 5.222 2.009 1.829 1.00 0.00 N ATOM 1234 CA CYS A 83 3.955 2.251 1.149 1.00 0.00 C ATOM 1235 C CYS A 83 3.389 3.617 1.524 1.00 0.00 C ATOM 1236 O CYS A 83 3.326 4.524 0.693 1.00 0.00 O ATOM 1237 CB CYS A 83 2.947 1.155 1.500 1.00 0.00 C ATOM 1238 SG CYS A 83 3.016 -0.287 0.410 1.00 0.00 S ATOM 0 H CYS A 83 5.305 1.083 2.249 1.00 0.00 H new ATOM 0 HA CYS A 83 4.139 2.236 0.075 1.00 0.00 H new ATOM 0 HB2 CYS A 83 3.122 0.831 2.526 1.00 0.00 H new ATOM 0 HB3 CYS A 83 1.942 1.576 1.465 1.00 0.00 H new ATOM 0 HG CYS A 83 1.817 -0.758 0.237 1.00 0.00 H new ATOM 1244 N LYS A 84 2.976 3.757 2.779 1.00 0.00 N ATOM 1245 CA LYS A 84 2.415 5.012 3.265 1.00 0.00 C ATOM 1246 C LYS A 84 3.194 6.204 2.720 1.00 0.00 C ATOM 1247 O LYS A 84 2.669 6.995 1.937 1.00 0.00 O ATOM 1248 CB LYS A 84 2.423 5.039 4.795 1.00 0.00 C ATOM 1249 CG LYS A 84 1.551 6.132 5.388 1.00 0.00 C ATOM 1250 CD LYS A 84 0.979 5.720 6.734 1.00 0.00 C ATOM 1251 CE LYS A 84 2.077 5.306 7.703 1.00 0.00 C ATOM 1252 NZ LYS A 84 2.579 6.460 8.499 1.00 0.00 N ATOM 0 H LYS A 84 3.019 3.016 3.479 1.00 0.00 H new ATOM 0 HA LYS A 84 1.386 5.082 2.912 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.085 4.073 5.169 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.447 5.174 5.142 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.137 7.043 5.504 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.737 6.362 4.701 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.411 6.548 7.158 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.282 4.893 6.597 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.696 4.538 8.377 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.903 4.861 7.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.326 6.136 9.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.966 7.182 7.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.797 6.869 9.049 1.00 0.00 H new ATOM 1266 N GLN A 85 4.450 6.325 3.138 1.00 0.00 N ATOM 1267 CA GLN A 85 5.302 7.421 2.690 1.00 0.00 C ATOM 1268 C GLN A 85 5.176 7.627 1.184 1.00 0.00 C ATOM 1269 O GLN A 85 4.950 8.745 0.718 1.00 0.00 O ATOM 1270 CB GLN A 85 6.760 7.145 3.059 1.00 0.00 C ATOM 1271 CG GLN A 85 7.121 7.568 4.474 1.00 0.00 C ATOM 1272 CD GLN A 85 8.574 7.300 4.811 1.00 0.00 C ATOM 1273 OE1 GLN A 85 9.417 8.193 4.732 1.00 0.00 O ATOM 1274 NE2 GLN A 85 8.875 6.063 5.191 1.00 0.00 N ATOM 0 H GLN A 85 4.900 5.678 3.786 1.00 0.00 H new ATOM 0 HA GLN A 85 4.974 8.332 3.192 1.00 0.00 H new ATOM 0 HB2 GLN A 85 6.959 6.079 2.945 1.00 0.00 H new ATOM 0 HB3 GLN A 85 7.409 7.667 2.356 1.00 0.00 H new ATOM 0 HG2 GLN A 85 6.914 8.631 4.595 1.00 0.00 H new ATOM 0 HG3 GLN A 85 6.484 7.037 5.181 1.00 0.00 H new ATOM 0 HE21 GLN A 85 8.144 5.353 5.243 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.837 5.823 5.431 1.00 0.00 H new ATOM 1283 N ILE A 86 5.324 6.544 0.429 1.00 0.00 N ATOM 1284 CA ILE A 86 5.226 6.607 -1.024 1.00 0.00 C ATOM 1285 C ILE A 86 3.932 7.288 -1.459 1.00 0.00 C ATOM 1286 O ILE A 86 3.869 7.900 -2.525 1.00 0.00 O ATOM 1287 CB ILE A 86 5.292 5.204 -1.654 1.00 0.00 C ATOM 1288 CG1 ILE A 86 6.746 4.743 -1.777 1.00 0.00 C ATOM 1289 CG2 ILE A 86 4.613 5.202 -3.016 1.00 0.00 C ATOM 1290 CD1 ILE A 86 6.895 3.245 -1.916 1.00 0.00 C ATOM 0 H ILE A 86 5.512 5.612 0.799 1.00 0.00 H new ATOM 0 HA ILE A 86 6.077 7.193 -1.373 1.00 0.00 H new ATOM 0 HB ILE A 86 4.763 4.506 -1.005 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.200 5.227 -2.642 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.299 5.075 -0.899 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.668 4.203 -3.449 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.568 5.491 -2.902 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.116 5.911 -3.674 1.00 0.00 H new ATOM 0 HD11 ILE A 86 7.952 2.991 -1.998 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.471 2.754 -1.040 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.370 2.909 -2.810 1.00 0.00 H new ATOM 1302 N TRP A 87 2.904 7.178 -0.626 1.00 0.00 N ATOM 1303 CA TRP A 87 1.611 7.784 -0.923 1.00 0.00 C ATOM 1304 C TRP A 87 1.497 9.164 -0.283 1.00 0.00 C ATOM 1305 O TRP A 87 0.662 9.976 -0.682 1.00 0.00 O ATOM 1306 CB TRP A 87 0.477 6.884 -0.431 1.00 0.00 C ATOM 1307 CG TRP A 87 0.394 5.579 -1.163 1.00 0.00 C ATOM 1308 CD1 TRP A 87 0.781 4.354 -0.700 1.00 0.00 C ATOM 1309 CD2 TRP A 87 -0.106 5.370 -2.488 1.00 0.00 C ATOM 1310 NE1 TRP A 87 0.552 3.396 -1.659 1.00 0.00 N ATOM 1311 CE2 TRP A 87 0.007 3.994 -2.764 1.00 0.00 C ATOM 1312 CE3 TRP A 87 -0.640 6.212 -3.468 1.00 0.00 C ATOM 1313 CZ2 TRP A 87 -0.393 3.443 -3.979 1.00 0.00 C ATOM 1314 CZ3 TRP A 87 -1.036 5.664 -4.673 1.00 0.00 C ATOM 1315 CH2 TRP A 87 -0.912 4.290 -4.920 1.00 0.00 C ATOM 0 H TRP A 87 2.940 6.675 0.261 1.00 0.00 H new ATOM 0 HA TRP A 87 1.531 7.898 -2.004 1.00 0.00 H new ATOM 0 HB2 TRP A 87 0.614 6.688 0.632 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -0.470 7.413 -0.538 1.00 0.00 H new ATOM 0 HD1 TRP A 87 1.204 4.166 0.276 1.00 0.00 H new ATOM 0 HE1 TRP A 87 0.755 2.401 -1.563 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -0.741 7.272 -3.286 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -0.297 2.385 -4.172 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -1.448 6.306 -5.438 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -1.232 3.892 -5.872 1.00 0.00 H new ATOM 1326 N LEU A 88 2.340 9.422 0.710 1.00 0.00 N ATOM 1327 CA LEU A 88 2.334 10.704 1.405 1.00 0.00 C ATOM 1328 C LEU A 88 3.473 11.594 0.918 1.00 0.00 C ATOM 1329 O LEU A 88 3.798 12.602 1.544 1.00 0.00 O ATOM 1330 CB LEU A 88 2.450 10.489 2.915 1.00 0.00 C ATOM 1331 CG LEU A 88 1.533 9.422 3.514 1.00 0.00 C ATOM 1332 CD1 LEU A 88 1.351 9.651 5.006 1.00 0.00 C ATOM 1333 CD2 LEU A 88 0.186 9.418 2.805 1.00 0.00 C ATOM 0 H LEU A 88 3.037 8.760 1.052 1.00 0.00 H new ATOM 0 HA LEU A 88 1.390 11.202 1.186 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.482 10.224 3.146 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.245 11.437 3.413 1.00 0.00 H new ATOM 0 HG LEU A 88 2.000 8.447 3.371 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.695 8.882 5.415 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.320 9.603 5.502 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.907 10.632 5.172 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.454 8.653 3.244 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.287 10.394 2.916 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.333 9.205 1.746 1.00 0.00 H new ATOM 1345 N GLY A 89 4.074 11.215 -0.206 1.00 0.00 N ATOM 1346 CA GLY A 89 5.168 11.990 -0.760 1.00 0.00 C ATOM 1347 C GLY A 89 5.012 13.477 -0.506 1.00 0.00 C ATOM 1348 O GLY A 89 5.980 14.162 -0.174 1.00 0.00 O ATOM 0 H GLY A 89 3.822 10.385 -0.743 1.00 0.00 H new ATOM 0 HA2 GLY A 89 6.108 11.647 -0.327 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.228 11.812 -1.834 1.00 0.00 H new ATOM 1352 N LEU A 90 3.792 13.977 -0.665 1.00 0.00 N ATOM 1353 CA LEU A 90 3.513 15.393 -0.452 1.00 0.00 C ATOM 1354 C LEU A 90 2.867 15.622 0.911 1.00 0.00 C ATOM 1355 O LEU A 90 3.291 16.493 1.672 1.00 0.00 O ATOM 1356 CB LEU A 90 2.599 15.925 -1.557 1.00 0.00 C ATOM 1357 CG LEU A 90 3.210 15.997 -2.957 1.00 0.00 C ATOM 1358 CD1 LEU A 90 2.121 15.961 -4.018 1.00 0.00 C ATOM 1359 CD2 LEU A 90 4.060 17.250 -3.104 1.00 0.00 C ATOM 0 H LEU A 90 2.981 13.424 -0.940 1.00 0.00 H new ATOM 0 HA LEU A 90 4.460 15.932 -0.480 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.711 15.294 -1.602 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.266 16.924 -1.276 1.00 0.00 H new ATOM 0 HG LEU A 90 3.853 15.128 -3.097 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.575 16.013 -5.007 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.555 15.034 -3.927 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.451 16.810 -3.881 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.487 17.285 -4.106 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.439 18.132 -2.943 1.00 0.00 H new ATOM 0 HD23 LEU A 90 4.864 17.233 -2.368 1.00 0.00 H new ATOM 1371 N PHE A 91 1.842 14.833 1.214 1.00 0.00 N ATOM 1372 CA PHE A 91 1.138 14.949 2.486 1.00 0.00 C ATOM 1373 C PHE A 91 2.125 15.074 3.644 1.00 0.00 C ATOM 1374 O PHE A 91 2.914 14.165 3.902 1.00 0.00 O ATOM 1375 CB PHE A 91 0.231 13.736 2.704 1.00 0.00 C ATOM 1376 CG PHE A 91 -0.484 13.751 4.025 1.00 0.00 C ATOM 1377 CD1 PHE A 91 0.203 13.498 5.201 1.00 0.00 C ATOM 1378 CD2 PHE A 91 -1.841 14.018 4.090 1.00 0.00 C ATOM 1379 CE1 PHE A 91 -0.452 13.511 6.418 1.00 0.00 C ATOM 1380 CE2 PHE A 91 -2.502 14.032 5.304 1.00 0.00 C ATOM 1381 CZ PHE A 91 -1.806 13.779 6.469 1.00 0.00 C ATOM 0 H PHE A 91 1.480 14.106 0.596 1.00 0.00 H new ATOM 0 HA PHE A 91 0.526 15.850 2.453 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -0.506 13.695 1.902 1.00 0.00 H new ATOM 0 HB3 PHE A 91 0.830 12.828 2.634 1.00 0.00 H new ATOM 0 HD1 PHE A 91 1.262 13.288 5.167 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -2.390 14.218 3.181 1.00 0.00 H new ATOM 0 HE1 PHE A 91 0.094 13.312 7.328 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.561 14.240 5.341 1.00 0.00 H new ATOM 0 HZ PHE A 91 -2.320 13.791 7.419 1.00 0.00 H new ATOM 1391 N ASP A 92 2.074 16.207 4.336 1.00 0.00 N ATOM 1392 CA ASP A 92 2.962 16.452 5.467 1.00 0.00 C ATOM 1393 C ASP A 92 2.164 16.653 6.751 1.00 0.00 C ATOM 1394 O ASP A 92 0.981 16.990 6.712 1.00 0.00 O ATOM 1395 CB ASP A 92 3.837 17.677 5.199 1.00 0.00 C ATOM 1396 CG ASP A 92 4.768 17.477 4.019 1.00 0.00 C ATOM 1397 OD1 ASP A 92 5.175 16.322 3.774 1.00 0.00 O ATOM 1398 OD2 ASP A 92 5.092 18.475 3.342 1.00 0.00 O ATOM 0 H ASP A 92 1.428 16.970 4.134 1.00 0.00 H new ATOM 0 HA ASP A 92 3.601 15.578 5.591 1.00 0.00 H new ATOM 0 HB2 ASP A 92 3.200 18.541 5.013 1.00 0.00 H new ATOM 0 HB3 ASP A 92 4.426 17.901 6.089 1.00 0.00 H new ATOM 1403 N ASP A 93 2.819 16.441 7.888 1.00 0.00 N ATOM 1404 CA ASP A 93 2.170 16.599 9.184 1.00 0.00 C ATOM 1405 C ASP A 93 1.561 17.990 9.321 1.00 0.00 C ATOM 1406 O ASP A 93 0.420 18.139 9.761 1.00 0.00 O ATOM 1407 CB ASP A 93 3.173 16.354 10.313 1.00 0.00 C ATOM 1408 CG ASP A 93 3.702 14.933 10.320 1.00 0.00 C ATOM 1409 OD1 ASP A 93 4.581 14.624 9.490 1.00 0.00 O ATOM 1410 OD2 ASP A 93 3.235 14.131 11.156 1.00 0.00 O ATOM 0 H ASP A 93 3.798 16.160 7.938 1.00 0.00 H new ATOM 0 HA ASP A 93 1.369 15.863 9.254 1.00 0.00 H new ATOM 0 HB2 ASP A 93 4.007 17.048 10.211 1.00 0.00 H new ATOM 0 HB3 ASP A 93 2.697 16.566 11.270 1.00 0.00 H new ATOM 1415 N ARG A 94 2.329 19.007 8.944 1.00 0.00 N ATOM 1416 CA ARG A 94 1.865 20.387 9.027 1.00 0.00 C ATOM 1417 C ARG A 94 1.007 20.746 7.817 1.00 0.00 C ATOM 1418 O ARG A 94 -0.072 21.321 7.958 1.00 0.00 O ATOM 1419 CB ARG A 94 3.056 21.343 9.124 1.00 0.00 C ATOM 1420 CG ARG A 94 3.736 21.333 10.483 1.00 0.00 C ATOM 1421 CD ARG A 94 4.812 20.261 10.559 1.00 0.00 C ATOM 1422 NE ARG A 94 4.979 19.748 11.916 1.00 0.00 N ATOM 1423 CZ ARG A 94 5.836 18.786 12.238 1.00 0.00 C ATOM 1424 NH1 ARG A 94 6.601 18.236 11.306 1.00 0.00 N ATOM 1425 NH2 ARG A 94 5.930 18.373 13.496 1.00 0.00 N ATOM 0 H ARG A 94 3.275 18.901 8.578 1.00 0.00 H new ATOM 0 HA ARG A 94 1.255 20.486 9.925 1.00 0.00 H new ATOM 0 HB2 ARG A 94 3.787 21.078 8.360 1.00 0.00 H new ATOM 0 HB3 ARG A 94 2.717 22.355 8.904 1.00 0.00 H new ATOM 0 HG2 ARG A 94 4.180 22.310 10.676 1.00 0.00 H new ATOM 0 HG3 ARG A 94 2.993 21.160 11.262 1.00 0.00 H new ATOM 0 HD2 ARG A 94 4.553 19.440 9.890 1.00 0.00 H new ATOM 0 HD3 ARG A 94 5.759 20.672 10.208 1.00 0.00 H new ATOM 0 HE ARG A 94 4.406 20.151 12.657 1.00 0.00 H new ATOM 0 HH11 ARG A 94 6.532 18.551 10.338 1.00 0.00 H new ATOM 0 HH12 ARG A 94 7.258 17.497 11.556 1.00 0.00 H new ATOM 0 HH21 ARG A 94 5.344 18.795 14.216 1.00 0.00 H new ATOM 0 HH22 ARG A 94 6.589 17.634 13.742 1.00 0.00 H new ATOM 1439 N SER A 95 1.496 20.404 6.630 1.00 0.00 N ATOM 1440 CA SER A 95 0.776 20.694 5.395 1.00 0.00 C ATOM 1441 C SER A 95 -0.700 20.332 5.528 1.00 0.00 C ATOM 1442 O SER A 95 -1.566 21.207 5.531 1.00 0.00 O ATOM 1443 CB SER A 95 1.397 19.927 4.226 1.00 0.00 C ATOM 1444 OG SER A 95 0.740 20.234 3.008 1.00 0.00 O ATOM 0 H SER A 95 2.387 19.926 6.497 1.00 0.00 H new ATOM 0 HA SER A 95 0.854 21.764 5.201 1.00 0.00 H new ATOM 0 HB2 SER A 95 2.455 20.176 4.145 1.00 0.00 H new ATOM 0 HB3 SER A 95 1.335 18.855 4.416 1.00 0.00 H new ATOM 0 HG SER A 95 1.157 19.733 2.276 1.00 0.00 H new ATOM 1450 N SER A 96 -0.978 19.037 5.639 1.00 0.00 N ATOM 1451 CA SER A 96 -2.349 18.558 5.769 1.00 0.00 C ATOM 1452 C SER A 96 -2.564 17.889 7.123 1.00 0.00 C ATOM 1453 O SER A 96 -1.609 17.514 7.801 1.00 0.00 O ATOM 1454 CB SER A 96 -2.677 17.575 4.643 1.00 0.00 C ATOM 1455 OG SER A 96 -2.626 18.212 3.379 1.00 0.00 O ATOM 0 H SER A 96 -0.272 18.301 5.642 1.00 0.00 H new ATOM 0 HA SER A 96 -3.017 19.417 5.698 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.971 16.745 4.664 1.00 0.00 H new ATOM 0 HB3 SER A 96 -3.670 17.154 4.802 1.00 0.00 H new ATOM 0 HG SER A 96 -2.838 17.562 2.676 1.00 0.00 H new ATOM 1461 N ALA A 97 -3.827 17.743 7.509 1.00 0.00 N ATOM 1462 CA ALA A 97 -4.170 17.118 8.781 1.00 0.00 C ATOM 1463 C ALA A 97 -4.904 15.799 8.564 1.00 0.00 C ATOM 1464 O ALA A 97 -5.782 15.701 7.705 1.00 0.00 O ATOM 1465 CB ALA A 97 -5.015 18.062 9.623 1.00 0.00 C ATOM 0 H ALA A 97 -4.630 18.049 6.959 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.243 16.905 9.314 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.263 17.582 10.569 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.455 18.977 9.816 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -5.933 18.304 9.087 1.00 0.00 H new ATOM 1471 N ILE A 98 -4.540 14.789 9.345 1.00 0.00 N ATOM 1472 CA ILE A 98 -5.165 13.476 9.238 1.00 0.00 C ATOM 1473 C ILE A 98 -6.653 13.548 9.566 1.00 0.00 C ATOM 1474 O ILE A 98 -7.069 14.170 10.543 1.00 0.00 O ATOM 1475 CB ILE A 98 -4.493 12.454 10.174 1.00 0.00 C ATOM 1476 CG1 ILE A 98 -3.017 12.289 9.808 1.00 0.00 C ATOM 1477 CG2 ILE A 98 -5.215 11.117 10.103 1.00 0.00 C ATOM 1478 CD1 ILE A 98 -2.795 11.544 8.510 1.00 0.00 C ATOM 0 H ILE A 98 -3.815 14.854 10.060 1.00 0.00 H new ATOM 0 HA ILE A 98 -5.038 13.149 8.206 1.00 0.00 H new ATOM 0 HB ILE A 98 -4.555 12.824 11.197 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.557 13.274 9.735 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.509 11.759 10.613 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -4.729 10.405 10.770 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -6.254 11.248 10.407 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -5.181 10.739 9.081 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.726 11.465 8.314 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -3.225 10.545 8.586 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -3.274 12.085 7.694 1.00 0.00 H new ATOM 1490 N PRO A 99 -7.474 12.894 8.731 1.00 0.00 N ATOM 1491 CA PRO A 99 -8.929 12.866 8.913 1.00 0.00 C ATOM 1492 C PRO A 99 -9.346 12.042 10.126 1.00 0.00 C ATOM 1493 O PRO A 99 -8.508 11.641 10.934 1.00 0.00 O ATOM 1494 CB PRO A 99 -9.435 12.214 7.624 1.00 0.00 C ATOM 1495 CG PRO A 99 -8.291 11.390 7.142 1.00 0.00 C ATOM 1496 CD PRO A 99 -7.047 12.131 7.546 1.00 0.00 C ATOM 0 HA PRO A 99 -9.336 13.861 9.092 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -10.315 11.599 7.811 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -9.721 12.964 6.887 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -8.313 10.394 7.585 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -8.333 11.259 6.061 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -6.231 11.448 7.781 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -6.694 12.788 6.751 1.00 0.00 H new ATOM 1504 N ASP A 100 -10.645 11.792 10.248 1.00 0.00 N ATOM 1505 CA ASP A 100 -11.173 11.013 11.362 1.00 0.00 C ATOM 1506 C ASP A 100 -11.294 9.540 10.986 1.00 0.00 C ATOM 1507 O ASP A 100 -11.122 9.168 9.825 1.00 0.00 O ATOM 1508 CB ASP A 100 -12.536 11.557 11.791 1.00 0.00 C ATOM 1509 CG ASP A 100 -12.550 13.070 11.893 1.00 0.00 C ATOM 1510 OD1 ASP A 100 -12.584 13.736 10.837 1.00 0.00 O ATOM 1511 OD2 ASP A 100 -12.528 13.587 13.029 1.00 0.00 O ATOM 0 H ASP A 100 -11.352 12.118 9.589 1.00 0.00 H new ATOM 0 HA ASP A 100 -10.477 11.100 12.196 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -13.293 11.237 11.075 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -12.808 11.128 12.756 1.00 0.00 H new ATOM 1516 N PHE A 101 -11.591 8.704 11.976 1.00 0.00 N ATOM 1517 CA PHE A 101 -11.733 7.271 11.750 1.00 0.00 C ATOM 1518 C PHE A 101 -13.113 6.786 12.187 1.00 0.00 C ATOM 1519 O PHE A 101 -13.675 5.865 11.594 1.00 0.00 O ATOM 1520 CB PHE A 101 -10.647 6.503 12.507 1.00 0.00 C ATOM 1521 CG PHE A 101 -9.283 7.119 12.385 1.00 0.00 C ATOM 1522 CD1 PHE A 101 -8.819 7.571 11.160 1.00 0.00 C ATOM 1523 CD2 PHE A 101 -8.464 7.245 13.495 1.00 0.00 C ATOM 1524 CE1 PHE A 101 -7.564 8.139 11.044 1.00 0.00 C ATOM 1525 CE2 PHE A 101 -7.208 7.812 13.386 1.00 0.00 C ATOM 1526 CZ PHE A 101 -6.757 8.259 12.159 1.00 0.00 C ATOM 0 H PHE A 101 -11.738 8.995 12.943 1.00 0.00 H new ATOM 0 HA PHE A 101 -11.622 7.084 10.682 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -10.919 6.448 13.561 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -10.610 5.480 12.134 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -9.445 7.478 10.285 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -8.811 6.896 14.457 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -7.215 8.488 10.083 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -6.580 7.905 14.259 1.00 0.00 H new ATOM 0 HZ PHE A 101 -5.776 8.701 12.072 1.00 0.00 H new ATOM 1536 N ARG A 102 -13.651 7.412 13.228 1.00 0.00 N ATOM 1537 CA ARG A 102 -14.963 7.044 13.746 1.00 0.00 C ATOM 1538 C ARG A 102 -16.011 7.064 12.637 1.00 0.00 C ATOM 1539 O ARG A 102 -16.990 6.319 12.681 1.00 0.00 O ATOM 1540 CB ARG A 102 -15.377 7.995 14.870 1.00 0.00 C ATOM 1541 CG ARG A 102 -14.601 7.786 16.161 1.00 0.00 C ATOM 1542 CD ARG A 102 -15.236 6.706 17.023 1.00 0.00 C ATOM 1543 NE ARG A 102 -14.713 5.379 16.710 1.00 0.00 N ATOM 1544 CZ ARG A 102 -14.837 4.331 17.518 1.00 0.00 C ATOM 1545 NH1 ARG A 102 -15.462 4.456 18.680 1.00 0.00 N ATOM 1546 NH2 ARG A 102 -14.334 3.156 17.163 1.00 0.00 N ATOM 0 H ARG A 102 -13.199 8.176 13.729 1.00 0.00 H new ATOM 0 HA ARG A 102 -14.897 6.031 14.142 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -15.238 9.023 14.535 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -16.441 7.866 15.070 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -13.573 7.510 15.928 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -14.561 8.722 16.719 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -15.055 6.928 18.075 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -16.316 6.714 16.877 1.00 0.00 H new ATOM 0 HE ARG A 102 -14.226 5.249 15.823 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -15.849 5.358 18.956 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -15.556 3.650 19.298 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -13.852 3.057 16.270 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -14.429 2.352 17.783 1.00 0.00 H new ATOM 1560 N ASP A 103 -15.798 7.922 11.645 1.00 0.00 N ATOM 1561 CA ASP A 103 -16.723 8.039 10.524 1.00 0.00 C ATOM 1562 C ASP A 103 -16.079 7.544 9.233 1.00 0.00 C ATOM 1563 O ASP A 103 -14.977 7.950 8.865 1.00 0.00 O ATOM 1564 CB ASP A 103 -17.176 9.491 10.358 1.00 0.00 C ATOM 1565 CG ASP A 103 -18.187 9.906 11.409 1.00 0.00 C ATOM 1566 OD1 ASP A 103 -18.874 9.018 11.955 1.00 0.00 O ATOM 1567 OD2 ASP A 103 -18.290 11.119 11.685 1.00 0.00 O ATOM 0 H ASP A 103 -14.993 8.546 11.595 1.00 0.00 H new ATOM 0 HA ASP A 103 -17.592 7.417 10.737 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -16.308 10.148 10.414 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -17.612 9.622 9.367 1.00 0.00 H new ATOM 1572 N PRO A 104 -16.781 6.643 8.529 1.00 0.00 N ATOM 1573 CA PRO A 104 -16.296 6.072 7.269 1.00 0.00 C ATOM 1574 C PRO A 104 -16.283 7.094 6.137 1.00 0.00 C ATOM 1575 O PRO A 104 -15.348 7.135 5.338 1.00 0.00 O ATOM 1576 CB PRO A 104 -17.304 4.959 6.973 1.00 0.00 C ATOM 1577 CG PRO A 104 -18.549 5.379 7.675 1.00 0.00 C ATOM 1578 CD PRO A 104 -18.102 6.114 8.908 1.00 0.00 C ATOM 0 HA PRO A 104 -15.266 5.723 7.349 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -17.471 4.851 5.901 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -16.949 3.996 7.339 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -19.159 6.020 7.038 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -19.160 4.515 7.936 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -18.794 6.913 9.173 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -18.037 5.450 9.770 1.00 0.00 H new ATOM 1586 N GLN A 105 -17.326 7.915 6.075 1.00 0.00 N ATOM 1587 CA GLN A 105 -17.434 8.936 5.039 1.00 0.00 C ATOM 1588 C GLN A 105 -16.133 9.723 4.913 1.00 0.00 C ATOM 1589 O GLN A 105 -15.599 9.889 3.817 1.00 0.00 O ATOM 1590 CB GLN A 105 -18.591 9.887 5.349 1.00 0.00 C ATOM 1591 CG GLN A 105 -19.922 9.435 4.771 1.00 0.00 C ATOM 1592 CD GLN A 105 -19.863 9.216 3.272 1.00 0.00 C ATOM 1593 OE1 GLN A 105 -20.186 8.135 2.778 1.00 0.00 O ATOM 1594 NE2 GLN A 105 -19.450 10.243 2.540 1.00 0.00 N ATOM 0 H GLN A 105 -18.108 7.893 6.729 1.00 0.00 H new ATOM 0 HA GLN A 105 -17.629 8.436 4.090 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -18.689 9.986 6.430 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -18.352 10.876 4.958 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -20.230 8.509 5.258 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -20.684 10.182 4.996 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -19.192 11.120 2.992 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -19.390 10.155 1.526 1.00 0.00 H new ATOM 1603 N LYS A 106 -15.628 10.205 6.044 1.00 0.00 N ATOM 1604 CA LYS A 106 -14.389 10.974 6.061 1.00 0.00 C ATOM 1605 C LYS A 106 -13.245 10.177 5.444 1.00 0.00 C ATOM 1606 O LYS A 106 -12.592 10.633 4.505 1.00 0.00 O ATOM 1607 CB LYS A 106 -14.032 11.371 7.496 1.00 0.00 C ATOM 1608 CG LYS A 106 -15.077 12.250 8.161 1.00 0.00 C ATOM 1609 CD LYS A 106 -14.800 13.725 7.922 1.00 0.00 C ATOM 1610 CE LYS A 106 -15.409 14.201 6.612 1.00 0.00 C ATOM 1611 NZ LYS A 106 -15.703 15.661 6.636 1.00 0.00 N ATOM 0 H LYS A 106 -16.057 10.077 6.960 1.00 0.00 H new ATOM 0 HA LYS A 106 -14.542 11.875 5.467 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -13.897 10.468 8.091 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.077 11.896 7.492 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -16.065 11.997 7.775 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -15.093 12.051 9.233 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -15.205 14.311 8.747 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -13.724 13.897 7.908 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -14.725 13.982 5.792 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -16.328 13.648 6.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -16.117 15.947 5.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -16.376 15.867 7.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -14.822 16.190 6.797 1.00 0.00 H new ATOM 1625 N VAL A 107 -13.007 8.982 5.976 1.00 0.00 N ATOM 1626 CA VAL A 107 -11.943 8.120 5.475 1.00 0.00 C ATOM 1627 C VAL A 107 -12.086 7.886 3.975 1.00 0.00 C ATOM 1628 O VAL A 107 -11.108 7.952 3.230 1.00 0.00 O ATOM 1629 CB VAL A 107 -11.937 6.759 6.197 1.00 0.00 C ATOM 1630 CG1 VAL A 107 -10.852 5.857 5.628 1.00 0.00 C ATOM 1631 CG2 VAL A 107 -11.750 6.952 7.695 1.00 0.00 C ATOM 0 H VAL A 107 -13.537 8.589 6.754 1.00 0.00 H new ATOM 0 HA VAL A 107 -11.001 8.632 5.672 1.00 0.00 H new ATOM 0 HB VAL A 107 -12.900 6.276 6.033 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -10.863 4.900 6.150 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -11.035 5.693 4.566 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -9.879 6.331 5.759 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -11.748 5.981 8.190 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -10.802 7.456 7.881 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -12.566 7.558 8.088 1.00 0.00 H new ATOM 1641 N LYS A 108 -13.310 7.613 3.538 1.00 0.00 N ATOM 1642 CA LYS A 108 -13.583 7.371 2.127 1.00 0.00 C ATOM 1643 C LYS A 108 -12.943 8.448 1.256 1.00 0.00 C ATOM 1644 O LYS A 108 -12.017 8.172 0.494 1.00 0.00 O ATOM 1645 CB LYS A 108 -15.093 7.330 1.878 1.00 0.00 C ATOM 1646 CG LYS A 108 -15.464 6.975 0.448 1.00 0.00 C ATOM 1647 CD LYS A 108 -16.926 6.576 0.334 1.00 0.00 C ATOM 1648 CE LYS A 108 -17.390 6.569 -1.114 1.00 0.00 C ATOM 1649 NZ LYS A 108 -17.856 7.913 -1.554 1.00 0.00 N ATOM 0 H LYS A 108 -14.130 7.554 4.142 1.00 0.00 H new ATOM 0 HA LYS A 108 -13.150 6.407 1.859 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -15.545 6.603 2.553 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -15.520 8.302 2.125 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -15.267 7.827 -0.202 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -14.834 6.156 0.100 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -17.069 5.586 0.768 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -17.539 7.269 0.910 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -16.573 6.240 -1.756 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -18.198 5.848 -1.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -18.164 7.866 -2.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -18.653 8.216 -0.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -17.077 8.597 -1.465 1.00 0.00 H new ATOM 1663 N GLU A 109 -13.441 9.674 1.377 1.00 0.00 N ATOM 1664 CA GLU A 109 -12.915 10.791 0.601 1.00 0.00 C ATOM 1665 C GLU A 109 -11.389 10.791 0.611 1.00 0.00 C ATOM 1666 O GLU A 109 -10.751 10.666 -0.434 1.00 0.00 O ATOM 1667 CB GLU A 109 -13.439 12.118 1.156 1.00 0.00 C ATOM 1668 CG GLU A 109 -14.940 12.292 0.999 1.00 0.00 C ATOM 1669 CD GLU A 109 -15.320 12.914 -0.331 1.00 0.00 C ATOM 1670 OE1 GLU A 109 -15.299 12.193 -1.350 1.00 0.00 O ATOM 1671 OE2 GLU A 109 -15.637 14.122 -0.352 1.00 0.00 O ATOM 0 H GLU A 109 -14.207 9.919 2.004 1.00 0.00 H new ATOM 0 HA GLU A 109 -13.254 10.676 -0.428 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -13.182 12.187 2.213 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -12.931 12.940 0.650 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -15.426 11.321 1.094 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -15.316 12.917 1.809 1.00 0.00 H new ATOM 1678 N PHE A 110 -10.811 10.931 1.800 1.00 0.00 N ATOM 1679 CA PHE A 110 -9.360 10.948 1.947 1.00 0.00 C ATOM 1680 C PHE A 110 -8.717 9.839 1.121 1.00 0.00 C ATOM 1681 O PHE A 110 -7.752 10.072 0.390 1.00 0.00 O ATOM 1682 CB PHE A 110 -8.974 10.793 3.419 1.00 0.00 C ATOM 1683 CG PHE A 110 -7.490 10.788 3.652 1.00 0.00 C ATOM 1684 CD1 PHE A 110 -6.711 9.726 3.223 1.00 0.00 C ATOM 1685 CD2 PHE A 110 -6.874 11.847 4.300 1.00 0.00 C ATOM 1686 CE1 PHE A 110 -5.346 9.718 3.436 1.00 0.00 C ATOM 1687 CE2 PHE A 110 -5.509 11.845 4.515 1.00 0.00 C ATOM 1688 CZ PHE A 110 -4.744 10.779 4.084 1.00 0.00 C ATOM 0 H PHE A 110 -11.325 11.034 2.675 1.00 0.00 H new ATOM 0 HA PHE A 110 -8.994 11.907 1.582 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -9.421 11.606 3.991 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -9.397 9.864 3.801 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -7.176 8.894 2.716 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -7.467 12.683 4.641 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -4.751 8.883 3.096 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -5.041 12.677 5.020 1.00 0.00 H new ATOM 0 HZ PHE A 110 -3.677 10.775 4.253 1.00 0.00 H new ATOM 1698 N LEU A 111 -9.256 8.631 1.241 1.00 0.00 N ATOM 1699 CA LEU A 111 -8.735 7.483 0.507 1.00 0.00 C ATOM 1700 C LEU A 111 -8.809 7.721 -0.998 1.00 0.00 C ATOM 1701 O LEU A 111 -7.982 7.217 -1.757 1.00 0.00 O ATOM 1702 CB LEU A 111 -9.516 6.220 0.874 1.00 0.00 C ATOM 1703 CG LEU A 111 -9.075 5.507 2.153 1.00 0.00 C ATOM 1704 CD1 LEU A 111 -9.999 4.338 2.458 1.00 0.00 C ATOM 1705 CD2 LEU A 111 -7.634 5.034 2.031 1.00 0.00 C ATOM 0 H LEU A 111 -10.054 8.421 1.840 1.00 0.00 H new ATOM 0 HA LEU A 111 -7.690 7.349 0.785 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -10.569 6.484 0.973 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -9.441 5.516 0.045 1.00 0.00 H new ATOM 0 HG LEU A 111 -9.134 6.215 2.980 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -9.670 3.843 3.371 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -11.017 4.704 2.590 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -9.973 3.628 1.631 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -7.338 4.529 2.950 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -7.548 4.342 1.193 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -6.983 5.891 1.862 1.00 0.00 H new ATOM 1717 N GLN A 112 -9.805 8.493 -1.422 1.00 0.00 N ATOM 1718 CA GLN A 112 -9.985 8.799 -2.836 1.00 0.00 C ATOM 1719 C GLN A 112 -8.928 9.786 -3.319 1.00 0.00 C ATOM 1720 O GLN A 112 -8.351 9.615 -4.393 1.00 0.00 O ATOM 1721 CB GLN A 112 -11.383 9.370 -3.082 1.00 0.00 C ATOM 1722 CG GLN A 112 -12.503 8.388 -2.777 1.00 0.00 C ATOM 1723 CD GLN A 112 -13.868 8.922 -3.164 1.00 0.00 C ATOM 1724 OE1 GLN A 112 -14.425 9.786 -2.486 1.00 0.00 O ATOM 1725 NE2 GLN A 112 -14.415 8.409 -4.260 1.00 0.00 N ATOM 0 H GLN A 112 -10.499 8.918 -0.807 1.00 0.00 H new ATOM 0 HA GLN A 112 -9.874 7.872 -3.399 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -11.515 10.261 -2.469 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -11.460 9.685 -4.123 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -12.318 7.455 -3.309 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -12.497 8.155 -1.712 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -13.918 7.695 -4.792 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -15.332 8.729 -4.570 1.00 0.00 H new ATOM 1734 N GLU A 113 -8.679 10.818 -2.519 1.00 0.00 N ATOM 1735 CA GLU A 113 -7.692 11.832 -2.867 1.00 0.00 C ATOM 1736 C GLU A 113 -6.288 11.236 -2.902 1.00 0.00 C ATOM 1737 O GLU A 113 -5.348 11.858 -3.398 1.00 0.00 O ATOM 1738 CB GLU A 113 -7.741 12.989 -1.866 1.00 0.00 C ATOM 1739 CG GLU A 113 -9.142 13.526 -1.625 1.00 0.00 C ATOM 1740 CD GLU A 113 -9.795 14.042 -2.893 1.00 0.00 C ATOM 1741 OE1 GLU A 113 -9.353 15.093 -3.402 1.00 0.00 O ATOM 1742 OE2 GLU A 113 -10.748 13.395 -3.375 1.00 0.00 O ATOM 0 H GLU A 113 -9.147 10.973 -1.626 1.00 0.00 H new ATOM 0 HA GLU A 113 -7.933 12.210 -3.861 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -7.321 12.656 -0.917 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -7.108 13.799 -2.228 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -9.761 12.737 -1.197 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -9.098 14.330 -0.890 1.00 0.00 H new ATOM 1749 N LYS A 114 -6.152 10.025 -2.373 1.00 0.00 N ATOM 1750 CA LYS A 114 -4.865 9.341 -2.343 1.00 0.00 C ATOM 1751 C LYS A 114 -4.802 8.252 -3.409 1.00 0.00 C ATOM 1752 O LYS A 114 -3.721 7.875 -3.862 1.00 0.00 O ATOM 1753 CB LYS A 114 -4.620 8.732 -0.961 1.00 0.00 C ATOM 1754 CG LYS A 114 -3.333 7.929 -0.869 1.00 0.00 C ATOM 1755 CD LYS A 114 -3.365 6.955 0.296 1.00 0.00 C ATOM 1756 CE LYS A 114 -2.815 7.586 1.566 1.00 0.00 C ATOM 1757 NZ LYS A 114 -3.155 6.788 2.776 1.00 0.00 N ATOM 0 H LYS A 114 -6.919 9.496 -1.958 1.00 0.00 H new ATOM 0 HA LYS A 114 -4.087 10.075 -2.553 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -4.593 9.531 -0.221 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.460 8.087 -0.703 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -3.178 7.381 -1.798 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -2.487 8.607 -0.754 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -4.389 6.624 0.467 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -2.781 6.069 0.047 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -1.732 7.679 1.485 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -3.215 8.595 1.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -2.993 7.362 3.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -4.155 6.504 2.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -2.555 5.939 2.812 1.00 0.00 H new ATOM 1771 N TYR A 115 -5.967 7.752 -3.806 1.00 0.00 N ATOM 1772 CA TYR A 115 -6.043 6.706 -4.819 1.00 0.00 C ATOM 1773 C TYR A 115 -6.673 7.236 -6.103 1.00 0.00 C ATOM 1774 O TYR A 115 -6.094 7.122 -7.183 1.00 0.00 O ATOM 1775 CB TYR A 115 -6.851 5.518 -4.294 1.00 0.00 C ATOM 1776 CG TYR A 115 -6.210 4.823 -3.114 1.00 0.00 C ATOM 1777 CD1 TYR A 115 -4.857 4.507 -3.120 1.00 0.00 C ATOM 1778 CD2 TYR A 115 -6.957 4.484 -1.992 1.00 0.00 C ATOM 1779 CE1 TYR A 115 -4.267 3.871 -2.044 1.00 0.00 C ATOM 1780 CE2 TYR A 115 -6.375 3.850 -0.912 1.00 0.00 C ATOM 1781 CZ TYR A 115 -5.030 3.545 -0.942 1.00 0.00 C ATOM 1782 OH TYR A 115 -4.446 2.914 0.132 1.00 0.00 O ATOM 0 H TYR A 115 -6.871 8.054 -3.442 1.00 0.00 H new ATOM 0 HA TYR A 115 -5.028 6.377 -5.043 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -7.844 5.864 -4.006 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -6.986 4.797 -5.100 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -4.256 4.763 -3.980 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -8.010 4.720 -1.964 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -3.214 3.631 -2.066 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -6.970 3.594 -0.048 1.00 0.00 H new ATOM 0 HH TYR A 115 -5.121 2.756 0.825 1.00 0.00 H new ATOM 1792 N GLU A 116 -7.863 7.815 -5.976 1.00 0.00 N ATOM 1793 CA GLU A 116 -8.572 8.363 -7.126 1.00 0.00 C ATOM 1794 C GLU A 116 -7.850 9.590 -7.676 1.00 0.00 C ATOM 1795 O GLU A 116 -7.461 9.625 -8.844 1.00 0.00 O ATOM 1796 CB GLU A 116 -10.006 8.731 -6.742 1.00 0.00 C ATOM 1797 CG GLU A 116 -10.995 7.591 -6.918 1.00 0.00 C ATOM 1798 CD GLU A 116 -11.151 7.173 -8.368 1.00 0.00 C ATOM 1799 OE1 GLU A 116 -11.477 8.042 -9.203 1.00 0.00 O ATOM 1800 OE2 GLU A 116 -10.946 5.978 -8.666 1.00 0.00 O ATOM 0 H GLU A 116 -8.356 7.917 -5.089 1.00 0.00 H new ATOM 0 HA GLU A 116 -8.597 7.599 -7.903 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -10.022 9.058 -5.702 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -10.329 9.578 -7.347 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -10.665 6.734 -6.330 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -11.966 7.893 -6.524 1.00 0.00 H new ATOM 1807 N LYS A 117 -7.676 10.597 -6.827 1.00 0.00 N ATOM 1808 CA LYS A 117 -7.002 11.827 -7.225 1.00 0.00 C ATOM 1809 C LYS A 117 -5.487 11.674 -7.122 1.00 0.00 C ATOM 1810 O LYS A 117 -4.736 12.335 -7.840 1.00 0.00 O ATOM 1811 CB LYS A 117 -7.468 12.994 -6.352 1.00 0.00 C ATOM 1812 CG LYS A 117 -8.955 12.967 -6.044 1.00 0.00 C ATOM 1813 CD LYS A 117 -9.771 13.559 -7.180 1.00 0.00 C ATOM 1814 CE LYS A 117 -10.139 12.503 -8.211 1.00 0.00 C ATOM 1815 NZ LYS A 117 -11.424 11.828 -7.879 1.00 0.00 N ATOM 0 H LYS A 117 -7.993 10.585 -5.858 1.00 0.00 H new ATOM 0 HA LYS A 117 -7.259 12.034 -8.264 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -6.911 12.981 -5.415 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -7.226 13.931 -6.853 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -9.272 11.940 -5.865 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -9.148 13.525 -5.127 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -10.679 14.011 -6.780 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -9.203 14.356 -7.660 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -10.216 12.967 -9.194 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -9.343 11.760 -8.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -11.606 11.070 -8.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -11.366 11.422 -6.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -12.199 12.521 -7.914 1.00 0.00 H new ATOM 1829 N LYS A 118 -5.045 10.799 -6.226 1.00 0.00 N ATOM 1830 CA LYS A 118 -3.620 10.557 -6.031 1.00 0.00 C ATOM 1831 C LYS A 118 -2.854 11.872 -5.928 1.00 0.00 C ATOM 1832 O LYS A 118 -1.837 12.062 -6.595 1.00 0.00 O ATOM 1833 CB LYS A 118 -3.062 9.718 -7.182 1.00 0.00 C ATOM 1834 CG LYS A 118 -3.134 8.221 -6.935 1.00 0.00 C ATOM 1835 CD LYS A 118 -2.785 7.431 -8.185 1.00 0.00 C ATOM 1836 CE LYS A 118 -2.943 5.935 -7.962 1.00 0.00 C ATOM 1837 NZ LYS A 118 -2.198 5.141 -8.977 1.00 0.00 N ATOM 0 H LYS A 118 -5.653 10.245 -5.623 1.00 0.00 H new ATOM 0 HA LYS A 118 -3.494 10.010 -5.097 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -3.612 9.954 -8.093 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -2.023 10.000 -7.355 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -2.450 7.951 -6.130 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -4.137 7.954 -6.603 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -3.427 7.747 -9.007 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -1.759 7.649 -8.480 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -2.586 5.677 -6.965 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -4.000 5.672 -8.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -2.331 4.127 -8.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -2.556 5.368 -9.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -1.186 5.373 -8.924 1.00 0.00 H new ATOM 1851 N ARG A 119 -3.349 12.776 -5.088 1.00 0.00 N ATOM 1852 CA ARG A 119 -2.710 14.073 -4.899 1.00 0.00 C ATOM 1853 C ARG A 119 -1.347 13.915 -4.232 1.00 0.00 C ATOM 1854 O ARG A 119 -0.342 14.430 -4.722 1.00 0.00 O ATOM 1855 CB ARG A 119 -3.601 14.985 -4.054 1.00 0.00 C ATOM 1856 CG ARG A 119 -3.782 14.504 -2.623 1.00 0.00 C ATOM 1857 CD ARG A 119 -4.962 15.189 -1.951 1.00 0.00 C ATOM 1858 NE ARG A 119 -4.566 16.420 -1.273 1.00 0.00 N ATOM 1859 CZ ARG A 119 -5.425 17.359 -0.893 1.00 0.00 C ATOM 1860 NH1 ARG A 119 -6.722 17.208 -1.123 1.00 0.00 N ATOM 1861 NH2 ARG A 119 -4.988 18.452 -0.281 1.00 0.00 N ATOM 0 H ARG A 119 -4.190 12.634 -4.528 1.00 0.00 H new ATOM 0 HA ARG A 119 -2.565 14.526 -5.880 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -3.172 15.987 -4.040 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -4.579 15.064 -4.528 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -3.935 13.425 -2.617 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -2.873 14.701 -2.054 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -5.723 15.415 -2.698 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -5.415 14.508 -1.231 1.00 0.00 H new ATOM 0 HE ARG A 119 -3.575 16.567 -1.081 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -7.062 16.369 -1.593 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -7.379 17.931 -0.830 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -3.991 18.572 -0.102 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -5.649 19.172 0.010 1.00 0.00 H new ATOM 1875 N TRP A 120 -1.321 13.201 -3.112 1.00 0.00 N ATOM 1876 CA TRP A 120 -0.081 12.976 -2.378 1.00 0.00 C ATOM 1877 C TRP A 120 0.681 11.784 -2.947 1.00 0.00 C ATOM 1878 O TRP A 120 1.675 11.339 -2.374 1.00 0.00 O ATOM 1879 CB TRP A 120 -0.377 12.746 -0.895 1.00 0.00 C ATOM 1880 CG TRP A 120 -1.352 13.731 -0.324 1.00 0.00 C ATOM 1881 CD1 TRP A 120 -1.133 15.059 -0.093 1.00 0.00 C ATOM 1882 CD2 TRP A 120 -2.697 13.466 0.089 1.00 0.00 C ATOM 1883 NE1 TRP A 120 -2.262 15.635 0.439 1.00 0.00 N ATOM 1884 CE2 TRP A 120 -3.235 14.679 0.560 1.00 0.00 C ATOM 1885 CE3 TRP A 120 -3.499 12.322 0.105 1.00 0.00 C ATOM 1886 CZ2 TRP A 120 -4.538 14.778 1.042 1.00 0.00 C ATOM 1887 CZ3 TRP A 120 -4.792 12.421 0.584 1.00 0.00 C ATOM 1888 CH2 TRP A 120 -5.301 13.642 1.046 1.00 0.00 C ATOM 0 H TRP A 120 -2.144 12.768 -2.693 1.00 0.00 H new ATOM 0 HA TRP A 120 0.541 13.865 -2.484 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -0.770 11.738 -0.762 1.00 0.00 H new ATOM 0 HB3 TRP A 120 0.555 12.801 -0.333 1.00 0.00 H new ATOM 0 HD1 TRP A 120 -0.209 15.580 -0.298 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -2.359 16.616 0.701 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -3.116 11.377 -0.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -4.932 15.718 1.400 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -5.420 11.543 0.602 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -6.316 13.687 1.413 1.00 0.00 H new ATOM 1899 N TYR A 121 0.208 11.271 -4.078 1.00 0.00 N ATOM 1900 CA TYR A 121 0.845 10.129 -4.724 1.00 0.00 C ATOM 1901 C TYR A 121 2.239 10.494 -5.225 1.00 0.00 C ATOM 1902 O TYR A 121 2.425 11.510 -5.895 1.00 0.00 O ATOM 1903 CB TYR A 121 -0.014 9.632 -5.888 1.00 0.00 C ATOM 1904 CG TYR A 121 0.670 8.587 -6.741 1.00 0.00 C ATOM 1905 CD1 TYR A 121 1.150 7.409 -6.181 1.00 0.00 C ATOM 1906 CD2 TYR A 121 0.835 8.777 -8.108 1.00 0.00 C ATOM 1907 CE1 TYR A 121 1.776 6.453 -6.956 1.00 0.00 C ATOM 1908 CE2 TYR A 121 1.458 7.825 -8.891 1.00 0.00 C ATOM 1909 CZ TYR A 121 1.927 6.665 -8.311 1.00 0.00 C ATOM 1910 OH TYR A 121 2.549 5.714 -9.087 1.00 0.00 O ATOM 0 H TYR A 121 -0.614 11.628 -4.566 1.00 0.00 H new ATOM 0 HA TYR A 121 0.942 9.333 -3.986 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -0.941 9.217 -5.493 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -0.286 10.480 -6.516 1.00 0.00 H new ATOM 0 HD1 TYR A 121 1.031 7.238 -5.121 1.00 0.00 H new ATOM 0 HD2 TYR A 121 0.470 9.685 -8.566 1.00 0.00 H new ATOM 0 HE1 TYR A 121 2.145 5.544 -6.504 1.00 0.00 H new ATOM 0 HE2 TYR A 121 1.577 7.988 -9.952 1.00 0.00 H new ATOM 0 HH TYR A 121 2.573 6.017 -10.019 1.00 0.00 H new ATOM 1920 N VAL A 122 3.217 9.656 -4.895 1.00 0.00 N ATOM 1921 CA VAL A 122 4.595 9.887 -5.312 1.00 0.00 C ATOM 1922 C VAL A 122 5.367 8.576 -5.408 1.00 0.00 C ATOM 1923 O VAL A 122 5.682 7.938 -4.403 1.00 0.00 O ATOM 1924 CB VAL A 122 5.325 10.831 -4.339 1.00 0.00 C ATOM 1925 CG1 VAL A 122 6.830 10.750 -4.544 1.00 0.00 C ATOM 1926 CG2 VAL A 122 4.831 12.260 -4.511 1.00 0.00 C ATOM 0 H VAL A 122 3.080 8.811 -4.340 1.00 0.00 H new ATOM 0 HA VAL A 122 4.554 10.354 -6.296 1.00 0.00 H new ATOM 0 HB VAL A 122 5.104 10.515 -3.320 1.00 0.00 H new ATOM 0 HG11 VAL A 122 7.329 11.424 -3.848 1.00 0.00 H new ATOM 0 HG12 VAL A 122 7.167 9.729 -4.365 1.00 0.00 H new ATOM 0 HG13 VAL A 122 7.074 11.039 -5.566 1.00 0.00 H new ATOM 0 HG21 VAL A 122 5.358 12.913 -3.815 1.00 0.00 H new ATOM 0 HG22 VAL A 122 5.020 12.590 -5.533 1.00 0.00 H new ATOM 0 HG23 VAL A 122 3.761 12.302 -4.308 1.00 0.00 H new ATOM 1936 N PRO A 123 5.682 8.163 -6.644 1.00 0.00 N ATOM 1937 CA PRO A 123 6.423 6.925 -6.901 1.00 0.00 C ATOM 1938 C PRO A 123 7.878 7.017 -6.456 1.00 0.00 C ATOM 1939 O PRO A 123 8.506 8.075 -6.519 1.00 0.00 O ATOM 1940 CB PRO A 123 6.337 6.769 -8.421 1.00 0.00 C ATOM 1941 CG PRO A 123 6.143 8.154 -8.934 1.00 0.00 C ATOM 1942 CD PRO A 123 5.338 8.874 -7.887 1.00 0.00 C ATOM 0 HA PRO A 123 6.010 6.081 -6.348 1.00 0.00 H new ATOM 0 HB2 PRO A 123 7.245 6.321 -8.825 1.00 0.00 H new ATOM 0 HB3 PRO A 123 5.508 6.122 -8.706 1.00 0.00 H new ATOM 0 HG2 PRO A 123 7.101 8.647 -9.097 1.00 0.00 H new ATOM 0 HG3 PRO A 123 5.621 8.146 -9.891 1.00 0.00 H new ATOM 0 HD2 PRO A 123 5.603 9.930 -7.832 1.00 0.00 H new ATOM 0 HD3 PRO A 123 4.269 8.824 -8.096 1.00 0.00 H new ATOM 1950 N PRO A 124 8.430 5.885 -5.996 1.00 0.00 N ATOM 1951 CA PRO A 124 9.819 5.813 -5.532 1.00 0.00 C ATOM 1952 C PRO A 124 10.819 5.952 -6.675 1.00 0.00 C ATOM 1953 O PRO A 124 11.916 6.479 -6.491 1.00 0.00 O ATOM 1954 CB PRO A 124 9.912 4.419 -4.906 1.00 0.00 C ATOM 1955 CG PRO A 124 8.856 3.624 -5.593 1.00 0.00 C ATOM 1956 CD PRO A 124 7.741 4.588 -5.892 1.00 0.00 C ATOM 0 HA PRO A 124 10.061 6.622 -4.842 1.00 0.00 H new ATOM 0 HB2 PRO A 124 10.899 3.982 -5.058 1.00 0.00 H new ATOM 0 HB3 PRO A 124 9.742 4.456 -3.830 1.00 0.00 H new ATOM 0 HG2 PRO A 124 9.240 3.175 -6.509 1.00 0.00 H new ATOM 0 HG3 PRO A 124 8.507 2.808 -4.960 1.00 0.00 H new ATOM 0 HD2 PRO A 124 7.225 4.332 -6.818 1.00 0.00 H new ATOM 0 HD3 PRO A 124 6.991 4.593 -5.101 1.00 0.00 H new ATOM 1964 N GLU A 125 10.433 5.475 -7.854 1.00 0.00 N ATOM 1965 CA GLU A 125 11.298 5.547 -9.026 1.00 0.00 C ATOM 1966 C GLU A 125 11.824 6.965 -9.229 1.00 0.00 C ATOM 1967 O GLU A 125 12.891 7.164 -9.808 1.00 0.00 O ATOM 1968 CB GLU A 125 10.541 5.089 -10.275 1.00 0.00 C ATOM 1969 CG GLU A 125 10.537 3.581 -10.465 1.00 0.00 C ATOM 1970 CD GLU A 125 9.356 2.911 -9.791 1.00 0.00 C ATOM 1971 OE1 GLU A 125 8.899 3.426 -8.748 1.00 0.00 O ATOM 1972 OE2 GLU A 125 8.889 1.873 -10.304 1.00 0.00 O ATOM 0 H GLU A 125 9.528 5.035 -8.023 1.00 0.00 H new ATOM 0 HA GLU A 125 12.147 4.884 -8.860 1.00 0.00 H new ATOM 0 HB2 GLU A 125 9.511 5.442 -10.216 1.00 0.00 H new ATOM 0 HB3 GLU A 125 10.988 5.556 -11.152 1.00 0.00 H new ATOM 0 HG2 GLU A 125 10.520 3.353 -11.531 1.00 0.00 H new ATOM 0 HG3 GLU A 125 11.462 3.166 -10.065 1.00 0.00 H new ATOM 1979 N GLN A 126 11.066 7.945 -8.747 1.00 0.00 N ATOM 1980 CA GLN A 126 11.455 9.344 -8.876 1.00 0.00 C ATOM 1981 C GLN A 126 12.177 9.827 -7.622 1.00 0.00 C ATOM 1982 O GLN A 126 13.359 10.166 -7.666 1.00 0.00 O ATOM 1983 CB GLN A 126 10.225 10.215 -9.139 1.00 0.00 C ATOM 1984 CG GLN A 126 9.610 10.001 -10.512 1.00 0.00 C ATOM 1985 CD GLN A 126 10.426 10.635 -11.622 1.00 0.00 C ATOM 1986 OE1 GLN A 126 11.111 9.944 -12.376 1.00 0.00 O ATOM 1987 NE2 GLN A 126 10.356 11.956 -11.728 1.00 0.00 N ATOM 0 H GLN A 126 10.180 7.796 -8.264 1.00 0.00 H new ATOM 0 HA GLN A 126 12.138 9.428 -9.721 1.00 0.00 H new ATOM 0 HB2 GLN A 126 9.474 10.007 -8.377 1.00 0.00 H new ATOM 0 HB3 GLN A 126 10.504 11.264 -9.034 1.00 0.00 H new ATOM 0 HG2 GLN A 126 9.515 8.932 -10.701 1.00 0.00 H new ATOM 0 HG3 GLN A 126 8.603 10.417 -10.524 1.00 0.00 H new ATOM 0 HE21 GLN A 126 9.775 12.489 -11.081 1.00 0.00 H new ATOM 0 HE22 GLN A 126 10.883 12.438 -12.456 1.00 0.00 H new ATOM 1996 N ALA A 127 11.457 9.855 -6.505 1.00 0.00 N ATOM 1997 CA ALA A 127 12.029 10.294 -5.239 1.00 0.00 C ATOM 1998 C ALA A 127 13.459 9.789 -5.078 1.00 0.00 C ATOM 1999 O ALA A 127 14.358 10.546 -4.712 1.00 0.00 O ATOM 2000 CB ALA A 127 11.166 9.822 -4.078 1.00 0.00 C ATOM 0 H ALA A 127 10.477 9.579 -6.452 1.00 0.00 H new ATOM 0 HA ALA A 127 12.055 11.384 -5.239 1.00 0.00 H new ATOM 0 HB1 ALA A 127 11.605 10.157 -3.138 1.00 0.00 H new ATOM 0 HB2 ALA A 127 10.163 10.237 -4.178 1.00 0.00 H new ATOM 0 HB3 ALA A 127 11.111 8.733 -4.085 1.00 0.00 H new ATOM 2006 N LYS A 128 13.662 8.505 -5.351 1.00 0.00 N ATOM 2007 CA LYS A 128 14.983 7.897 -5.237 1.00 0.00 C ATOM 2008 C LYS A 128 15.620 7.720 -6.612 1.00 0.00 C ATOM 2009 O LYS A 128 14.926 7.506 -7.606 1.00 0.00 O ATOM 2010 CB LYS A 128 14.884 6.543 -4.530 1.00 0.00 C ATOM 2011 CG LYS A 128 16.165 6.131 -3.825 1.00 0.00 C ATOM 2012 CD LYS A 128 16.031 4.762 -3.181 1.00 0.00 C ATOM 2013 CE LYS A 128 15.422 4.857 -1.790 1.00 0.00 C ATOM 2014 NZ LYS A 128 15.601 3.596 -1.019 1.00 0.00 N ATOM 0 H LYS A 128 12.928 7.864 -5.653 1.00 0.00 H new ATOM 0 HA LYS A 128 15.613 8.563 -4.647 1.00 0.00 H new ATOM 0 HB2 LYS A 128 14.074 6.581 -3.801 1.00 0.00 H new ATOM 0 HB3 LYS A 128 14.619 5.779 -5.261 1.00 0.00 H new ATOM 0 HG2 LYS A 128 16.987 6.119 -4.540 1.00 0.00 H new ATOM 0 HG3 LYS A 128 16.416 6.869 -3.063 1.00 0.00 H new ATOM 0 HD2 LYS A 128 15.410 4.123 -3.808 1.00 0.00 H new ATOM 0 HD3 LYS A 128 17.012 4.291 -3.118 1.00 0.00 H new ATOM 0 HE2 LYS A 128 15.882 5.683 -1.248 1.00 0.00 H new ATOM 0 HE3 LYS A 128 14.359 5.084 -1.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 15.173 3.701 -0.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 15.140 2.812 -1.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 16.616 3.393 -0.917 1.00 0.00 H new ATOM 2028 N SER A 129 16.946 7.809 -6.660 1.00 0.00 N ATOM 2029 CA SER A 129 17.677 7.660 -7.913 1.00 0.00 C ATOM 2030 C SER A 129 17.030 6.598 -8.796 1.00 0.00 C ATOM 2031 O SER A 129 17.141 5.402 -8.530 1.00 0.00 O ATOM 2032 CB SER A 129 19.135 7.291 -7.636 1.00 0.00 C ATOM 2033 OG SER A 129 19.797 8.324 -6.927 1.00 0.00 O ATOM 0 H SER A 129 17.535 7.983 -5.846 1.00 0.00 H new ATOM 0 HA SER A 129 17.645 8.614 -8.440 1.00 0.00 H new ATOM 0 HB2 SER A 129 19.176 6.366 -7.060 1.00 0.00 H new ATOM 0 HB3 SER A 129 19.651 7.103 -8.578 1.00 0.00 H new ATOM 0 HG SER A 129 20.727 8.063 -6.761 1.00 0.00 H new ATOM 2039 N GLY A 130 16.354 7.045 -9.850 1.00 0.00 N ATOM 2040 CA GLY A 130 15.699 6.121 -10.758 1.00 0.00 C ATOM 2041 C GLY A 130 15.160 6.809 -11.996 1.00 0.00 C ATOM 2042 O GLY A 130 14.025 7.285 -12.024 1.00 0.00 O ATOM 0 H GLY A 130 16.248 8.030 -10.091 1.00 0.00 H new ATOM 0 HA2 GLY A 130 16.406 5.346 -11.055 1.00 0.00 H new ATOM 0 HA3 GLY A 130 14.881 5.623 -10.237 1.00 0.00 H new ATOM 2046 N PRO A 131 15.986 6.870 -13.051 1.00 0.00 N ATOM 2047 CA PRO A 131 15.608 7.504 -14.318 1.00 0.00 C ATOM 2048 C PRO A 131 14.547 6.708 -15.070 1.00 0.00 C ATOM 2049 O PRO A 131 14.088 7.120 -16.136 1.00 0.00 O ATOM 2050 CB PRO A 131 16.918 7.528 -15.108 1.00 0.00 C ATOM 2051 CG PRO A 131 17.721 6.406 -14.545 1.00 0.00 C ATOM 2052 CD PRO A 131 17.353 6.323 -13.089 1.00 0.00 C ATOM 0 HA PRO A 131 15.169 8.490 -14.165 1.00 0.00 H new ATOM 0 HB2 PRO A 131 16.740 7.391 -16.175 1.00 0.00 H new ATOM 0 HB3 PRO A 131 17.433 8.481 -14.991 1.00 0.00 H new ATOM 0 HG2 PRO A 131 17.498 5.471 -15.058 1.00 0.00 H new ATOM 0 HG3 PRO A 131 18.788 6.590 -14.668 1.00 0.00 H new ATOM 0 HD2 PRO A 131 17.385 5.296 -12.724 1.00 0.00 H new ATOM 0 HD3 PRO A 131 18.036 6.903 -12.468 1.00 0.00 H new ATOM 2060 N SER A 132 14.160 5.567 -14.509 1.00 0.00 N ATOM 2061 CA SER A 132 13.155 4.712 -15.129 1.00 0.00 C ATOM 2062 C SER A 132 12.074 5.548 -15.808 1.00 0.00 C ATOM 2063 O SER A 132 11.741 6.641 -15.350 1.00 0.00 O ATOM 2064 CB SER A 132 12.522 3.792 -14.083 1.00 0.00 C ATOM 2065 OG SER A 132 11.545 2.949 -14.670 1.00 0.00 O ATOM 0 H SER A 132 14.527 5.213 -13.626 1.00 0.00 H new ATOM 0 HA SER A 132 13.649 4.104 -15.887 1.00 0.00 H new ATOM 0 HB2 SER A 132 13.295 3.185 -13.612 1.00 0.00 H new ATOM 0 HB3 SER A 132 12.064 4.391 -13.296 1.00 0.00 H new ATOM 0 HG SER A 132 11.157 2.370 -13.982 1.00 0.00 H new ATOM 2071 N SER A 133 11.531 5.025 -16.902 1.00 0.00 N ATOM 2072 CA SER A 133 10.491 5.724 -17.648 1.00 0.00 C ATOM 2073 C SER A 133 9.256 4.843 -17.814 1.00 0.00 C ATOM 2074 O SER A 133 9.300 3.640 -17.561 1.00 0.00 O ATOM 2075 CB SER A 133 11.016 6.150 -19.020 1.00 0.00 C ATOM 2076 OG SER A 133 11.320 5.022 -19.822 1.00 0.00 O ATOM 0 H SER A 133 11.794 4.120 -17.292 1.00 0.00 H new ATOM 0 HA SER A 133 10.209 6.613 -17.084 1.00 0.00 H new ATOM 0 HB2 SER A 133 10.271 6.767 -19.522 1.00 0.00 H new ATOM 0 HB3 SER A 133 11.908 6.764 -18.897 1.00 0.00 H new ATOM 0 HG SER A 133 11.652 5.321 -20.694 1.00 0.00 H new ATOM 2082 N GLY A 134 8.155 5.453 -18.242 1.00 0.00 N ATOM 2083 CA GLY A 134 6.923 4.710 -18.434 1.00 0.00 C ATOM 2084 C GLY A 134 5.788 5.587 -18.923 1.00 0.00 C ATOM 2085 O GLY A 134 5.480 6.585 -18.274 1.00 0.00 O ATOM 0 H GLY A 134 8.094 6.448 -18.459 1.00 0.00 H new ATOM 0 HA2 GLY A 134 7.094 3.908 -19.152 1.00 0.00 H new ATOM 0 HA3 GLY A 134 6.636 4.240 -17.494 1.00 0.00 H new TER 2089 GLY A 134 HETATM 2090 ZN ZN A 401 -9.628 0.361 8.730 1.00 0.00 ZN