USER MOD reduce.3.24.130724 H: found=0, std=0, add=919, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 917 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 39 GLN : amide:sc= -0.381 K(o=-0.78,f=2.1) USER MOD Set 1.2: A 54 SER OG : rot -150:sc= -0.395 USER MOD Set 2.1: A 33 TYR OH : rot -30:sc= -0.196 USER MOD Set 2.2: A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -138:sc=-0.000417 (180deg=-0.439) 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 8 LYS NZ :NH3+ -134:sc= -0.484 (180deg=-2.36!) USER MOD Single : A 9 LYS NZ :NH3+ 155:sc=-0.00202 (180deg=-0.581) USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -151:sc= -0.0588 (180deg=-1.01) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= -0.451 USER MOD Single : A 42 TYR OH : rot 180:sc= -0.205 USER MOD Single : A 43 SER OG : rot 98:sc= 0.402 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 ASN : amide:sc= -0.227 X(o=-0.23,f=-0.23) USER MOD Single : A 58 SER OG : rot 93:sc= 0.0929 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 CYS SG : rot 29:sc= 0.146 USER MOD Single : A 65 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0896) USER MOD Single : A 76 LYS NZ :NH3+ 155:sc= -0.0632 (180deg=-0.433) USER MOD Single : A 77 THR OG1 : rot -68:sc= -0.493 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.234) USER MOD Single : A 90 GLN : amide:sc= -0.0764 X(o=-0.076,f=0) USER MOD Single : A 92 MET CE :methyl -170:sc= -0.214 (180deg=-0.391) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -0.0305 K(o=-0.031,f=-1.5!) USER MOD Single : A 98 GLN : amide:sc= -1.68! K(o=-1.7!,f=-0.76) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 MET CE :methyl -159:sc= -0.0592 (180deg=-0.504) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 HIS : no HE2:sc= -1.37 X(o=-1.4,f=-1.6) USER MOD Single : A 108 ASN : amide:sc= -7.84! C(o=-7.8!,f=-6.7!) USER MOD Single : A 109 SER OG : rot 68:sc= 1.25 USER MOD Single : A 114 SER OG : rot 33:sc= 0.17 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.481 0.725 8.542 1.00 0.00 N ATOM 2 CA GLY A 1 -17.710 -0.694 8.342 1.00 0.00 C ATOM 3 C GLY A 1 -18.929 -0.969 7.484 1.00 0.00 C ATOM 4 O GLY A 1 -18.803 -1.338 6.316 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.465 0.928 8.457 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.004 1.266 7.824 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.810 1.000 9.489 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.832 -1.138 7.873 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.834 -1.179 9.310 1.00 0.00 H new ATOM 8 N SER A 2 -20.112 -0.791 8.063 1.00 0.00 N ATOM 9 CA SER A 2 -21.358 -1.028 7.345 1.00 0.00 C ATOM 10 C SER A 2 -22.028 0.291 6.969 1.00 0.00 C ATOM 11 O SER A 2 -22.263 0.567 5.793 1.00 0.00 O ATOM 12 CB SER A 2 -22.310 -1.872 8.196 1.00 0.00 C ATOM 13 OG SER A 2 -21.869 -3.216 8.272 1.00 0.00 O ATOM 0 H SER A 2 -20.233 -0.483 9.028 1.00 0.00 H new ATOM 0 HA SER A 2 -21.123 -1.570 6.429 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.377 -1.451 9.199 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.312 -1.838 7.768 1.00 0.00 H new ATOM 0 HG SER A 2 -22.493 -3.734 8.822 1.00 0.00 H new ATOM 19 N SER A 3 -22.331 1.101 7.978 1.00 0.00 N ATOM 20 CA SER A 3 -22.977 2.390 7.755 1.00 0.00 C ATOM 21 C SER A 3 -22.115 3.529 8.291 1.00 0.00 C ATOM 22 O SER A 3 -22.166 3.857 9.475 1.00 0.00 O ATOM 23 CB SER A 3 -24.352 2.417 8.425 1.00 0.00 C ATOM 24 OG SER A 3 -24.939 3.704 8.332 1.00 0.00 O ATOM 0 H SER A 3 -22.140 0.888 8.957 1.00 0.00 H new ATOM 0 HA SER A 3 -23.101 2.526 6.681 1.00 0.00 H new ATOM 0 HB2 SER A 3 -25.004 1.681 7.954 1.00 0.00 H new ATOM 0 HB3 SER A 3 -24.255 2.133 9.473 1.00 0.00 H new ATOM 0 HG SER A 3 -25.818 3.695 8.766 1.00 0.00 H new ATOM 30 N GLY A 4 -21.323 4.129 7.407 1.00 0.00 N ATOM 31 CA GLY A 4 -20.461 5.225 7.809 1.00 0.00 C ATOM 32 C GLY A 4 -19.134 4.746 8.364 1.00 0.00 C ATOM 33 O GLY A 4 -19.097 3.907 9.263 1.00 0.00 O ATOM 0 H GLY A 4 -21.263 3.876 6.421 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.280 5.874 6.952 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.970 5.826 8.562 1.00 0.00 H new ATOM 37 N SER A 5 -18.042 5.279 7.826 1.00 0.00 N ATOM 38 CA SER A 5 -16.707 4.897 8.269 1.00 0.00 C ATOM 39 C SER A 5 -15.776 6.105 8.296 1.00 0.00 C ATOM 40 O SER A 5 -15.960 7.061 7.542 1.00 0.00 O ATOM 41 CB SER A 5 -16.132 3.816 7.352 1.00 0.00 C ATOM 42 OG SER A 5 -14.923 3.292 7.875 1.00 0.00 O ATOM 0 H SER A 5 -18.056 5.977 7.082 1.00 0.00 H new ATOM 0 HA SER A 5 -16.787 4.500 9.281 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.858 3.012 7.232 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.952 4.233 6.361 1.00 0.00 H new ATOM 0 HG SER A 5 -14.577 2.602 7.271 1.00 0.00 H new ATOM 48 N SER A 6 -14.776 6.055 9.169 1.00 0.00 N ATOM 49 CA SER A 6 -13.817 7.146 9.298 1.00 0.00 C ATOM 50 C SER A 6 -12.676 6.760 10.234 1.00 0.00 C ATOM 51 O SER A 6 -12.866 5.998 11.181 1.00 0.00 O ATOM 52 CB SER A 6 -14.513 8.406 9.816 1.00 0.00 C ATOM 53 OG SER A 6 -13.590 9.468 9.983 1.00 0.00 O ATOM 0 H SER A 6 -14.608 5.270 9.798 1.00 0.00 H new ATOM 0 HA SER A 6 -13.401 7.349 8.311 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.295 8.706 9.118 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.000 8.191 10.767 1.00 0.00 H new ATOM 0 HG SER A 6 -14.061 10.262 10.313 1.00 0.00 H new ATOM 59 N GLY A 7 -11.489 7.292 9.961 1.00 0.00 N ATOM 60 CA GLY A 7 -10.334 6.993 10.787 1.00 0.00 C ATOM 61 C GLY A 7 -9.132 7.848 10.436 1.00 0.00 C ATOM 62 O GLY A 7 -9.261 8.862 9.750 1.00 0.00 O ATOM 0 H GLY A 7 -11.306 7.925 9.182 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.591 7.146 11.835 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.073 5.941 10.674 1.00 0.00 H new ATOM 66 N LYS A 8 -7.959 7.439 10.908 1.00 0.00 N ATOM 67 CA LYS A 8 -6.729 8.174 10.641 1.00 0.00 C ATOM 68 C LYS A 8 -6.082 7.700 9.344 1.00 0.00 C ATOM 69 O LYS A 8 -6.340 6.589 8.879 1.00 0.00 O ATOM 70 CB LYS A 8 -5.748 8.007 11.804 1.00 0.00 C ATOM 71 CG LYS A 8 -4.900 6.750 11.708 1.00 0.00 C ATOM 72 CD LYS A 8 -3.772 6.760 12.726 1.00 0.00 C ATOM 73 CE LYS A 8 -4.251 6.290 14.092 1.00 0.00 C ATOM 74 NZ LYS A 8 -5.029 7.343 14.799 1.00 0.00 N ATOM 0 H LYS A 8 -7.835 6.602 11.478 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.982 9.229 10.535 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.091 8.876 11.842 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -6.307 7.988 12.740 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.528 5.873 11.868 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -4.484 6.666 10.704 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.963 6.116 12.381 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.364 7.767 12.809 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.869 5.400 13.974 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.392 6.004 14.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -4.704 7.412 15.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.888 8.257 14.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.039 7.097 14.784 1.00 0.00 H new ATOM 88 N LYS A 9 -5.238 8.547 8.764 1.00 0.00 N ATOM 89 CA LYS A 9 -4.551 8.214 7.522 1.00 0.00 C ATOM 90 C LYS A 9 -3.904 6.835 7.611 1.00 0.00 C ATOM 91 O LYS A 9 -3.653 6.325 8.703 1.00 0.00 O ATOM 92 CB LYS A 9 -3.488 9.268 7.204 1.00 0.00 C ATOM 93 CG LYS A 9 -3.232 9.444 5.718 1.00 0.00 C ATOM 94 CD LYS A 9 -1.822 9.944 5.451 1.00 0.00 C ATOM 95 CE LYS A 9 -1.739 11.459 5.549 1.00 0.00 C ATOM 96 NZ LYS A 9 -1.637 11.918 6.962 1.00 0.00 N ATOM 0 H LYS A 9 -5.013 9.470 9.135 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.290 8.199 6.721 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.798 10.224 7.626 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.555 8.990 7.695 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.385 8.494 5.206 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.953 10.149 5.304 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.134 9.494 6.167 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.504 9.625 4.459 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.873 11.812 4.989 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.621 11.902 5.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -1.172 12.848 6.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.590 11.994 7.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.078 11.233 7.510 1.00 0.00 H new ATOM 110 N LEU A 10 -3.636 6.237 6.455 1.00 0.00 N ATOM 111 CA LEU A 10 -3.017 4.918 6.402 1.00 0.00 C ATOM 112 C LEU A 10 -1.555 5.019 5.978 1.00 0.00 C ATOM 113 O LEU A 10 -1.254 5.243 4.805 1.00 0.00 O ATOM 114 CB LEU A 10 -3.780 4.013 5.434 1.00 0.00 C ATOM 115 CG LEU A 10 -3.104 2.688 5.079 1.00 0.00 C ATOM 116 CD1 LEU A 10 -3.226 1.701 6.229 1.00 0.00 C ATOM 117 CD2 LEU A 10 -3.706 2.105 3.808 1.00 0.00 C ATOM 0 H LEU A 10 -3.838 6.645 5.542 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.057 4.485 7.401 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.757 3.795 5.865 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.955 4.567 4.512 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.046 2.879 4.902 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.739 0.764 5.958 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.747 2.115 7.116 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.279 1.515 6.439 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.213 1.162 3.571 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.771 1.929 3.957 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.566 2.805 2.985 1.00 0.00 H new ATOM 129 N CYS A 11 -0.653 4.850 6.937 1.00 0.00 N ATOM 130 CA CYS A 11 0.778 4.921 6.663 1.00 0.00 C ATOM 131 C CYS A 11 1.544 3.904 7.503 1.00 0.00 C ATOM 132 O CYS A 11 1.032 3.395 8.499 1.00 0.00 O ATOM 133 CB CYS A 11 1.303 6.330 6.942 1.00 0.00 C ATOM 134 SG CYS A 11 1.209 6.822 8.679 1.00 0.00 S ATOM 0 H CYS A 11 -0.887 4.663 7.912 1.00 0.00 H new ATOM 0 HA CYS A 11 0.933 4.686 5.610 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.341 6.391 6.614 1.00 0.00 H new ATOM 0 HB3 CYS A 11 0.737 7.043 6.342 1.00 0.00 H new ATOM 0 HG CYS A 11 1.678 8.027 8.815 1.00 0.00 H new ATOM 140 N GLY A 12 2.774 3.611 7.092 1.00 0.00 N ATOM 141 CA GLY A 12 3.590 2.654 7.817 1.00 0.00 C ATOM 142 C GLY A 12 4.776 2.171 7.005 1.00 0.00 C ATOM 143 O GLY A 12 4.683 2.021 5.786 1.00 0.00 O ATOM 0 H GLY A 12 3.220 4.019 6.270 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.947 3.111 8.740 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.976 1.799 8.102 1.00 0.00 H new ATOM 147 N TYR A 13 5.893 1.928 7.680 1.00 0.00 N ATOM 148 CA TYR A 13 7.103 1.462 7.013 1.00 0.00 C ATOM 149 C TYR A 13 6.977 -0.006 6.617 1.00 0.00 C ATOM 150 O TYR A 13 6.162 -0.743 7.173 1.00 0.00 O ATOM 151 CB TYR A 13 8.318 1.653 7.923 1.00 0.00 C ATOM 152 CG TYR A 13 8.681 3.103 8.153 1.00 0.00 C ATOM 153 CD1 TYR A 13 8.022 3.861 9.113 1.00 0.00 C ATOM 154 CD2 TYR A 13 9.681 3.716 7.408 1.00 0.00 C ATOM 155 CE1 TYR A 13 8.349 5.186 9.326 1.00 0.00 C ATOM 156 CE2 TYR A 13 10.016 5.040 7.615 1.00 0.00 C ATOM 157 CZ TYR A 13 9.347 5.771 8.575 1.00 0.00 C ATOM 158 OH TYR A 13 9.676 7.091 8.783 1.00 0.00 O ATOM 0 H TYR A 13 5.986 2.046 8.689 1.00 0.00 H new ATOM 0 HA TYR A 13 7.238 2.053 6.107 1.00 0.00 H new ATOM 0 HB2 TYR A 13 8.119 1.180 8.885 1.00 0.00 H new ATOM 0 HB3 TYR A 13 9.173 1.138 7.486 1.00 0.00 H new ATOM 0 HD1 TYR A 13 7.240 3.406 9.703 1.00 0.00 H new ATOM 0 HD2 TYR A 13 10.205 3.147 6.654 1.00 0.00 H new ATOM 0 HE1 TYR A 13 7.826 5.761 10.076 1.00 0.00 H new ATOM 0 HE2 TYR A 13 10.797 5.500 7.029 1.00 0.00 H new ATOM 0 HH TYR A 13 10.399 7.348 8.173 1.00 0.00 H new ATOM 168 N LEU A 14 7.789 -0.423 5.652 1.00 0.00 N ATOM 169 CA LEU A 14 7.770 -1.803 5.180 1.00 0.00 C ATOM 170 C LEU A 14 9.124 -2.198 4.598 1.00 0.00 C ATOM 171 O LEU A 14 10.026 -1.369 4.481 1.00 0.00 O ATOM 172 CB LEU A 14 6.677 -1.987 4.126 1.00 0.00 C ATOM 173 CG LEU A 14 5.246 -1.713 4.589 1.00 0.00 C ATOM 174 CD1 LEU A 14 4.288 -1.738 3.408 1.00 0.00 C ATOM 175 CD2 LEU A 14 4.822 -2.726 5.643 1.00 0.00 C ATOM 0 H LEU A 14 8.469 0.174 5.181 1.00 0.00 H new ATOM 0 HA LEU A 14 7.558 -2.449 6.032 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.897 -1.330 3.284 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.728 -3.010 3.754 1.00 0.00 H new ATOM 0 HG LEU A 14 5.214 -0.719 5.036 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.274 -1.541 3.757 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.579 -0.973 2.688 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.323 -2.718 2.931 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.801 -2.515 5.960 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.871 -3.731 5.223 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.490 -2.659 6.502 1.00 0.00 H new ATOM 187 N SER A 15 9.258 -3.469 4.234 1.00 0.00 N ATOM 188 CA SER A 15 10.502 -3.975 3.666 1.00 0.00 C ATOM 189 C SER A 15 10.283 -4.480 2.243 1.00 0.00 C ATOM 190 O SER A 15 9.561 -5.452 2.020 1.00 0.00 O ATOM 191 CB SER A 15 11.066 -5.099 4.537 1.00 0.00 C ATOM 192 OG SER A 15 11.930 -4.585 5.536 1.00 0.00 O ATOM 0 H SER A 15 8.520 -4.168 4.322 1.00 0.00 H new ATOM 0 HA SER A 15 11.219 -3.154 3.636 1.00 0.00 H new ATOM 0 HB2 SER A 15 10.248 -5.646 5.006 1.00 0.00 H new ATOM 0 HB3 SER A 15 11.608 -5.810 3.913 1.00 0.00 H new ATOM 0 HG SER A 15 12.276 -5.323 6.080 1.00 0.00 H new ATOM 198 N LYS A 16 10.913 -3.814 1.282 1.00 0.00 N ATOM 199 CA LYS A 16 10.790 -4.194 -0.121 1.00 0.00 C ATOM 200 C LYS A 16 11.778 -5.302 -0.473 1.00 0.00 C ATOM 201 O LYS A 16 12.989 -5.138 -0.324 1.00 0.00 O ATOM 202 CB LYS A 16 11.027 -2.980 -1.022 1.00 0.00 C ATOM 203 CG LYS A 16 10.449 -3.137 -2.418 1.00 0.00 C ATOM 204 CD LYS A 16 10.339 -1.799 -3.129 1.00 0.00 C ATOM 205 CE LYS A 16 9.497 -1.906 -4.391 1.00 0.00 C ATOM 206 NZ LYS A 16 10.165 -2.731 -5.435 1.00 0.00 N ATOM 0 H LYS A 16 11.515 -3.007 1.449 1.00 0.00 H new ATOM 0 HA LYS A 16 9.779 -4.568 -0.283 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.589 -2.099 -0.553 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.099 -2.800 -1.100 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.079 -3.809 -3.000 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.464 -3.599 -2.355 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.897 -1.064 -2.457 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.335 -1.439 -3.385 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.529 -2.344 -4.146 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.304 -0.908 -4.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.559 -2.780 -6.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.077 -2.300 -5.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.326 -3.691 -5.069 1.00 0.00 H new ATOM 220 N PHE A 17 11.253 -6.429 -0.941 1.00 0.00 N ATOM 221 CA PHE A 17 12.089 -7.564 -1.315 1.00 0.00 C ATOM 222 C PHE A 17 12.761 -7.324 -2.664 1.00 0.00 C ATOM 223 O PHE A 17 12.349 -6.453 -3.428 1.00 0.00 O ATOM 224 CB PHE A 17 11.253 -8.845 -1.369 1.00 0.00 C ATOM 225 CG PHE A 17 12.058 -10.073 -1.681 1.00 0.00 C ATOM 226 CD1 PHE A 17 13.208 -10.366 -0.964 1.00 0.00 C ATOM 227 CD2 PHE A 17 11.666 -10.936 -2.691 1.00 0.00 C ATOM 228 CE1 PHE A 17 13.951 -11.495 -1.251 1.00 0.00 C ATOM 229 CE2 PHE A 17 12.405 -12.068 -2.982 1.00 0.00 C ATOM 230 CZ PHE A 17 13.548 -12.348 -2.260 1.00 0.00 C ATOM 0 H PHE A 17 10.253 -6.581 -1.070 1.00 0.00 H new ATOM 0 HA PHE A 17 12.865 -7.677 -0.558 1.00 0.00 H new ATOM 0 HB2 PHE A 17 10.752 -8.983 -0.411 1.00 0.00 H new ATOM 0 HB3 PHE A 17 10.474 -8.730 -2.123 1.00 0.00 H new ATOM 0 HD1 PHE A 17 13.527 -9.704 -0.172 1.00 0.00 H new ATOM 0 HD2 PHE A 17 10.772 -10.722 -3.258 1.00 0.00 H new ATOM 0 HE1 PHE A 17 14.846 -11.710 -0.687 1.00 0.00 H new ATOM 0 HE2 PHE A 17 12.089 -12.732 -3.773 1.00 0.00 H new ATOM 0 HZ PHE A 17 14.126 -13.232 -2.484 1.00 0.00 H new ATOM 240 N GLY A 18 13.799 -8.105 -2.948 1.00 0.00 N ATOM 241 CA GLY A 18 14.512 -7.962 -4.204 1.00 0.00 C ATOM 242 C GLY A 18 14.658 -6.513 -4.626 1.00 0.00 C ATOM 243 O GLY A 18 15.418 -5.757 -4.022 1.00 0.00 O ATOM 0 H GLY A 18 14.159 -8.834 -2.331 1.00 0.00 H new ATOM 0 HA2 GLY A 18 15.501 -8.411 -4.110 1.00 0.00 H new ATOM 0 HA3 GLY A 18 13.984 -8.513 -4.983 1.00 0.00 H new ATOM 247 N GLY A 19 13.930 -6.125 -5.669 1.00 0.00 N ATOM 248 CA GLY A 19 13.999 -4.759 -6.155 1.00 0.00 C ATOM 249 C GLY A 19 15.349 -4.425 -6.757 1.00 0.00 C ATOM 250 O GLY A 19 16.011 -5.288 -7.334 1.00 0.00 O ATOM 0 H GLY A 19 13.294 -6.732 -6.186 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.222 -4.603 -6.904 1.00 0.00 H new ATOM 0 HA3 GLY A 19 13.791 -4.073 -5.333 1.00 0.00 H new ATOM 254 N LYS A 20 15.759 -3.168 -6.624 1.00 0.00 N ATOM 255 CA LYS A 20 17.039 -2.720 -7.160 1.00 0.00 C ATOM 256 C LYS A 20 18.179 -3.595 -6.649 1.00 0.00 C ATOM 257 O LYS A 20 17.967 -4.497 -5.840 1.00 0.00 O ATOM 258 CB LYS A 20 17.292 -1.260 -6.778 1.00 0.00 C ATOM 259 CG LYS A 20 17.611 -1.063 -5.306 1.00 0.00 C ATOM 260 CD LYS A 20 17.670 0.411 -4.941 1.00 0.00 C ATOM 261 CE LYS A 20 18.989 1.038 -5.367 1.00 0.00 C ATOM 262 NZ LYS A 20 18.971 2.520 -5.222 1.00 0.00 N ATOM 0 H LYS A 20 15.223 -2.441 -6.149 1.00 0.00 H new ATOM 0 HA LYS A 20 16.999 -2.804 -8.246 1.00 0.00 H new ATOM 0 HB2 LYS A 20 18.119 -0.875 -7.375 1.00 0.00 H new ATOM 0 HB3 LYS A 20 16.412 -0.669 -7.033 1.00 0.00 H new ATOM 0 HG2 LYS A 20 16.854 -1.559 -4.699 1.00 0.00 H new ATOM 0 HG3 LYS A 20 18.566 -1.535 -5.073 1.00 0.00 H new ATOM 0 HD2 LYS A 20 16.844 0.939 -5.418 1.00 0.00 H new ATOM 0 HD3 LYS A 20 17.542 0.526 -3.865 1.00 0.00 H new ATOM 0 HE2 LYS A 20 19.799 0.624 -4.766 1.00 0.00 H new ATOM 0 HE3 LYS A 20 19.197 0.777 -6.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 19.887 2.909 -5.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 18.215 2.918 -5.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 18.798 2.769 -4.227 1.00 0.00 H new ATOM 276 N GLY A 21 19.389 -3.321 -7.126 1.00 0.00 N ATOM 277 CA GLY A 21 20.545 -4.091 -6.704 1.00 0.00 C ATOM 278 C GLY A 21 20.724 -5.358 -7.516 1.00 0.00 C ATOM 279 O GLY A 21 19.768 -5.915 -8.057 1.00 0.00 O ATOM 0 H GLY A 21 19.590 -2.580 -7.797 1.00 0.00 H new ATOM 0 HA2 GLY A 21 21.440 -3.476 -6.794 1.00 0.00 H new ATOM 0 HA3 GLY A 21 20.441 -4.350 -5.650 1.00 0.00 H new ATOM 283 N PRO A 22 21.975 -5.833 -7.611 1.00 0.00 N ATOM 284 CA PRO A 22 22.306 -7.048 -8.362 1.00 0.00 C ATOM 285 C PRO A 22 21.773 -8.309 -7.690 1.00 0.00 C ATOM 286 O PRO A 22 21.533 -9.321 -8.349 1.00 0.00 O ATOM 287 CB PRO A 22 23.836 -7.053 -8.373 1.00 0.00 C ATOM 288 CG PRO A 22 24.226 -6.270 -7.166 1.00 0.00 C ATOM 289 CD PRO A 22 23.162 -5.221 -6.992 1.00 0.00 C ATOM 0 HA PRO A 22 21.859 -7.046 -9.356 1.00 0.00 H new ATOM 0 HB2 PRO A 22 24.229 -8.069 -8.330 1.00 0.00 H new ATOM 0 HB3 PRO A 22 24.227 -6.598 -9.283 1.00 0.00 H new ATOM 0 HG2 PRO A 22 24.288 -6.912 -6.287 1.00 0.00 H new ATOM 0 HG3 PRO A 22 25.207 -5.813 -7.297 1.00 0.00 H new ATOM 0 HD2 PRO A 22 22.993 -4.991 -5.940 1.00 0.00 H new ATOM 0 HD3 PRO A 22 23.435 -4.287 -7.483 1.00 0.00 H new ATOM 297 N ILE A 23 21.591 -8.240 -6.376 1.00 0.00 N ATOM 298 CA ILE A 23 21.085 -9.376 -5.615 1.00 0.00 C ATOM 299 C ILE A 23 19.749 -9.047 -4.958 1.00 0.00 C ATOM 300 O ILE A 23 19.288 -7.907 -5.003 1.00 0.00 O ATOM 301 CB ILE A 23 22.085 -9.816 -4.529 1.00 0.00 C ATOM 302 CG1 ILE A 23 22.028 -8.859 -3.336 1.00 0.00 C ATOM 303 CG2 ILE A 23 23.494 -9.878 -5.099 1.00 0.00 C ATOM 304 CD1 ILE A 23 22.935 -7.658 -3.481 1.00 0.00 C ATOM 0 H ILE A 23 21.786 -7.410 -5.816 1.00 0.00 H new ATOM 0 HA ILE A 23 20.947 -10.194 -6.323 1.00 0.00 H new ATOM 0 HB ILE A 23 21.810 -10.813 -4.185 1.00 0.00 H new ATOM 0 HG12 ILE A 23 21.002 -8.515 -3.205 1.00 0.00 H new ATOM 0 HG13 ILE A 23 22.300 -9.403 -2.431 1.00 0.00 H new ATOM 0 HG21 ILE A 23 24.189 -10.190 -4.319 1.00 0.00 H new ATOM 0 HG22 ILE A 23 23.523 -10.595 -5.920 1.00 0.00 H new ATOM 0 HG23 ILE A 23 23.781 -8.893 -5.467 1.00 0.00 H new ATOM 0 HD11 ILE A 23 22.843 -7.024 -2.599 1.00 0.00 H new ATOM 0 HD12 ILE A 23 23.968 -7.992 -3.581 1.00 0.00 H new ATOM 0 HD13 ILE A 23 22.649 -7.091 -4.367 1.00 0.00 H new ATOM 316 N ARG A 24 19.133 -10.054 -4.347 1.00 0.00 N ATOM 317 CA ARG A 24 17.850 -9.871 -3.679 1.00 0.00 C ATOM 318 C ARG A 24 18.034 -9.750 -2.170 1.00 0.00 C ATOM 319 O ARG A 24 18.944 -10.347 -1.595 1.00 0.00 O ATOM 320 CB ARG A 24 16.915 -11.040 -3.998 1.00 0.00 C ATOM 321 CG ARG A 24 17.457 -12.390 -3.559 1.00 0.00 C ATOM 322 CD ARG A 24 17.056 -12.713 -2.128 1.00 0.00 C ATOM 323 NE ARG A 24 17.484 -14.052 -1.729 1.00 0.00 N ATOM 324 CZ ARG A 24 18.695 -14.326 -1.257 1.00 0.00 C ATOM 325 NH1 ARG A 24 19.593 -13.359 -1.126 1.00 0.00 N ATOM 326 NH2 ARG A 24 19.009 -15.569 -0.915 1.00 0.00 N ATOM 0 H ARG A 24 19.501 -11.004 -4.301 1.00 0.00 H new ATOM 0 HA ARG A 24 17.405 -8.947 -4.048 1.00 0.00 H new ATOM 0 HB2 ARG A 24 15.954 -10.869 -3.513 1.00 0.00 H new ATOM 0 HB3 ARG A 24 16.730 -11.064 -5.072 1.00 0.00 H new ATOM 0 HG2 ARG A 24 17.085 -13.167 -4.226 1.00 0.00 H new ATOM 0 HG3 ARG A 24 18.544 -12.392 -3.643 1.00 0.00 H new ATOM 0 HD2 ARG A 24 17.493 -11.977 -1.454 1.00 0.00 H new ATOM 0 HD3 ARG A 24 15.974 -12.633 -2.028 1.00 0.00 H new ATOM 0 HE ARG A 24 16.816 -14.818 -1.818 1.00 0.00 H new ATOM 0 HH11 ARG A 24 19.354 -12.403 -1.388 1.00 0.00 H new ATOM 0 HH12 ARG A 24 20.522 -13.572 -0.763 1.00 0.00 H new ATOM 0 HH21 ARG A 24 18.320 -16.315 -1.015 1.00 0.00 H new ATOM 0 HH22 ARG A 24 19.939 -15.779 -0.553 1.00 0.00 H new ATOM 340 N GLY A 25 17.164 -8.973 -1.532 1.00 0.00 N ATOM 341 CA GLY A 25 17.249 -8.787 -0.096 1.00 0.00 C ATOM 342 C GLY A 25 16.300 -7.717 0.408 1.00 0.00 C ATOM 343 O GLY A 25 16.166 -6.659 -0.206 1.00 0.00 O ATOM 0 H GLY A 25 16.402 -8.469 -1.985 1.00 0.00 H new ATOM 0 HA2 GLY A 25 17.026 -9.730 0.403 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.271 -8.518 0.172 1.00 0.00 H new ATOM 347 N TRP A 26 15.639 -7.994 1.526 1.00 0.00 N ATOM 348 CA TRP A 26 14.696 -7.047 2.110 1.00 0.00 C ATOM 349 C TRP A 26 15.388 -5.734 2.459 1.00 0.00 C ATOM 350 O TRP A 26 16.483 -5.728 3.023 1.00 0.00 O ATOM 351 CB TRP A 26 14.050 -7.644 3.361 1.00 0.00 C ATOM 352 CG TRP A 26 13.299 -8.913 3.093 1.00 0.00 C ATOM 353 CD1 TRP A 26 13.775 -10.188 3.210 1.00 0.00 C ATOM 354 CD2 TRP A 26 11.939 -9.029 2.661 1.00 0.00 C ATOM 355 NE1 TRP A 26 12.793 -11.089 2.876 1.00 0.00 N ATOM 356 CE2 TRP A 26 11.657 -10.404 2.537 1.00 0.00 C ATOM 357 CE3 TRP A 26 10.931 -8.106 2.369 1.00 0.00 C ATOM 358 CZ2 TRP A 26 10.410 -10.874 2.132 1.00 0.00 C ATOM 359 CZ3 TRP A 26 9.695 -8.575 1.967 1.00 0.00 C ATOM 360 CH2 TRP A 26 9.442 -9.948 1.853 1.00 0.00 C ATOM 0 H TRP A 26 15.738 -8.866 2.046 1.00 0.00 H new ATOM 0 HA TRP A 26 13.921 -6.843 1.371 1.00 0.00 H new ATOM 0 HB2 TRP A 26 14.824 -7.838 4.104 1.00 0.00 H new ATOM 0 HB3 TRP A 26 13.369 -6.912 3.794 1.00 0.00 H new ATOM 0 HD1 TRP A 26 14.776 -10.449 3.520 1.00 0.00 H new ATOM 0 HE1 TRP A 26 12.894 -12.104 2.880 1.00 0.00 H new ATOM 0 HE3 TRP A 26 11.115 -7.045 2.456 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 10.214 -11.932 2.041 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 8.910 -7.870 1.737 1.00 0.00 H new ATOM 0 HH2 TRP A 26 8.464 -10.282 1.539 1.00 0.00 H new ATOM 371 N LYS A 27 14.745 -4.622 2.119 1.00 0.00 N ATOM 372 CA LYS A 27 15.298 -3.302 2.398 1.00 0.00 C ATOM 373 C LYS A 27 14.266 -2.414 3.085 1.00 0.00 C ATOM 374 O LYS A 27 13.087 -2.426 2.730 1.00 0.00 O ATOM 375 CB LYS A 27 15.772 -2.641 1.101 1.00 0.00 C ATOM 376 CG LYS A 27 16.514 -1.334 1.321 1.00 0.00 C ATOM 377 CD LYS A 27 17.881 -1.567 1.943 1.00 0.00 C ATOM 378 CE LYS A 27 18.942 -1.810 0.881 1.00 0.00 C ATOM 379 NZ LYS A 27 19.073 -3.256 0.548 1.00 0.00 N ATOM 0 H LYS A 27 13.840 -4.609 1.649 1.00 0.00 H new ATOM 0 HA LYS A 27 16.149 -3.426 3.068 1.00 0.00 H new ATOM 0 HB2 LYS A 27 16.423 -3.333 0.567 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.909 -2.456 0.461 1.00 0.00 H new ATOM 0 HG2 LYS A 27 16.630 -0.816 0.369 1.00 0.00 H new ATOM 0 HG3 LYS A 27 15.925 -0.684 1.968 1.00 0.00 H new ATOM 0 HD2 LYS A 27 18.160 -0.703 2.546 1.00 0.00 H new ATOM 0 HD3 LYS A 27 17.835 -2.424 2.615 1.00 0.00 H new ATOM 0 HE2 LYS A 27 18.689 -1.251 -0.020 1.00 0.00 H new ATOM 0 HE3 LYS A 27 19.901 -1.430 1.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 20.047 -3.455 0.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 18.851 -3.827 1.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 18.413 -3.497 -0.219 1.00 0.00 H new ATOM 393 N SER A 28 14.717 -1.643 4.070 1.00 0.00 N ATOM 394 CA SER A 28 13.832 -0.750 4.808 1.00 0.00 C ATOM 395 C SER A 28 13.390 0.421 3.936 1.00 0.00 C ATOM 396 O SER A 28 14.218 1.170 3.417 1.00 0.00 O ATOM 397 CB SER A 28 14.532 -0.228 6.065 1.00 0.00 C ATOM 398 OG SER A 28 14.700 -1.261 7.021 1.00 0.00 O ATOM 0 H SER A 28 15.690 -1.619 4.375 1.00 0.00 H new ATOM 0 HA SER A 28 12.948 -1.316 5.101 1.00 0.00 H new ATOM 0 HB2 SER A 28 15.504 0.187 5.798 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.948 0.583 6.500 1.00 0.00 H new ATOM 0 HG SER A 28 15.151 -0.903 7.814 1.00 0.00 H new ATOM 404 N ARG A 29 12.079 0.572 3.779 1.00 0.00 N ATOM 405 CA ARG A 29 11.525 1.650 2.968 1.00 0.00 C ATOM 406 C ARG A 29 10.300 2.261 3.640 1.00 0.00 C ATOM 407 O ARG A 29 9.587 1.587 4.384 1.00 0.00 O ATOM 408 CB ARG A 29 11.153 1.131 1.578 1.00 0.00 C ATOM 409 CG ARG A 29 11.242 2.189 0.490 1.00 0.00 C ATOM 410 CD ARG A 29 12.670 2.365 -0.001 1.00 0.00 C ATOM 411 NE ARG A 29 12.721 2.773 -1.402 1.00 0.00 N ATOM 412 CZ ARG A 29 13.795 2.629 -2.171 1.00 0.00 C ATOM 413 NH1 ARG A 29 14.901 2.090 -1.676 1.00 0.00 N ATOM 414 NH2 ARG A 29 13.764 3.024 -3.437 1.00 0.00 N ATOM 0 H ARG A 29 11.380 -0.039 4.203 1.00 0.00 H new ATOM 0 HA ARG A 29 12.286 2.424 2.867 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.811 0.301 1.321 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.138 0.736 1.607 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.601 1.908 -0.346 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.868 3.139 0.873 1.00 0.00 H new ATOM 0 HD2 ARG A 29 13.175 3.111 0.612 1.00 0.00 H new ATOM 0 HD3 ARG A 29 13.214 1.429 0.124 1.00 0.00 H new ATOM 0 HE ARG A 29 11.886 3.191 -1.813 1.00 0.00 H new ATOM 0 HH11 ARG A 29 14.928 1.785 -0.703 1.00 0.00 H new ATOM 0 HH12 ARG A 29 15.724 1.980 -2.268 1.00 0.00 H new ATOM 0 HH21 ARG A 29 12.915 3.439 -3.821 1.00 0.00 H new ATOM 0 HH22 ARG A 29 14.589 2.913 -4.026 1.00 0.00 H new ATOM 428 N TRP A 30 10.062 3.540 3.374 1.00 0.00 N ATOM 429 CA TRP A 30 8.922 4.242 3.953 1.00 0.00 C ATOM 430 C TRP A 30 7.740 4.248 2.991 1.00 0.00 C ATOM 431 O TRP A 30 7.816 4.819 1.903 1.00 0.00 O ATOM 432 CB TRP A 30 9.310 5.677 4.313 1.00 0.00 C ATOM 433 CG TRP A 30 8.131 6.568 4.558 1.00 0.00 C ATOM 434 CD1 TRP A 30 7.831 7.729 3.904 1.00 0.00 C ATOM 435 CD2 TRP A 30 7.094 6.371 5.526 1.00 0.00 C ATOM 436 NE1 TRP A 30 6.670 8.266 4.407 1.00 0.00 N ATOM 437 CE2 TRP A 30 6.199 7.452 5.403 1.00 0.00 C ATOM 438 CE3 TRP A 30 6.834 5.387 6.483 1.00 0.00 C ATOM 439 CZ2 TRP A 30 5.065 7.573 6.202 1.00 0.00 C ATOM 440 CZ3 TRP A 30 5.709 5.510 7.276 1.00 0.00 C ATOM 441 CH2 TRP A 30 4.835 6.595 7.131 1.00 0.00 C ATOM 0 H TRP A 30 10.643 4.112 2.761 1.00 0.00 H new ATOM 0 HA TRP A 30 8.625 3.715 4.860 1.00 0.00 H new ATOM 0 HB2 TRP A 30 9.937 5.663 5.204 1.00 0.00 H new ATOM 0 HB3 TRP A 30 9.912 6.096 3.506 1.00 0.00 H new ATOM 0 HD1 TRP A 30 8.420 8.162 3.108 1.00 0.00 H new ATOM 0 HE1 TRP A 30 6.231 9.130 4.090 1.00 0.00 H new ATOM 0 HE3 TRP A 30 7.500 4.545 6.601 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.391 8.409 6.092 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 5.500 4.756 8.021 1.00 0.00 H new ATOM 0 HH2 TRP A 30 3.963 6.661 7.765 1.00 0.00 H new ATOM 452 N PHE A 31 6.647 3.611 3.399 1.00 0.00 N ATOM 453 CA PHE A 31 5.448 3.543 2.571 1.00 0.00 C ATOM 454 C PHE A 31 4.330 4.396 3.163 1.00 0.00 C ATOM 455 O PHE A 31 4.163 4.463 4.381 1.00 0.00 O ATOM 456 CB PHE A 31 4.980 2.093 2.433 1.00 0.00 C ATOM 457 CG PHE A 31 5.849 1.266 1.530 1.00 0.00 C ATOM 458 CD1 PHE A 31 6.987 0.645 2.020 1.00 0.00 C ATOM 459 CD2 PHE A 31 5.529 1.109 0.191 1.00 0.00 C ATOM 460 CE1 PHE A 31 7.789 -0.116 1.191 1.00 0.00 C ATOM 461 CE2 PHE A 31 6.327 0.349 -0.643 1.00 0.00 C ATOM 462 CZ PHE A 31 7.458 -0.266 -0.141 1.00 0.00 C ATOM 0 H PHE A 31 6.567 3.135 4.297 1.00 0.00 H new ATOM 0 HA PHE A 31 5.695 3.933 1.584 1.00 0.00 H new ATOM 0 HB2 PHE A 31 4.954 1.632 3.421 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.959 2.084 2.050 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.250 0.757 3.061 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.645 1.586 -0.206 1.00 0.00 H new ATOM 0 HE1 PHE A 31 8.674 -0.593 1.585 1.00 0.00 H new ATOM 0 HE2 PHE A 31 6.067 0.236 -1.685 1.00 0.00 H new ATOM 0 HZ PHE A 31 8.082 -0.863 -0.789 1.00 0.00 H new ATOM 472 N PHE A 32 3.567 5.048 2.292 1.00 0.00 N ATOM 473 CA PHE A 32 2.465 5.899 2.727 1.00 0.00 C ATOM 474 C PHE A 32 1.423 6.046 1.622 1.00 0.00 C ATOM 475 O PHE A 32 1.760 6.302 0.466 1.00 0.00 O ATOM 476 CB PHE A 32 2.988 7.277 3.137 1.00 0.00 C ATOM 477 CG PHE A 32 3.339 8.156 1.970 1.00 0.00 C ATOM 478 CD1 PHE A 32 2.345 8.718 1.185 1.00 0.00 C ATOM 479 CD2 PHE A 32 4.663 8.421 1.659 1.00 0.00 C ATOM 480 CE1 PHE A 32 2.665 9.528 0.112 1.00 0.00 C ATOM 481 CE2 PHE A 32 4.989 9.230 0.587 1.00 0.00 C ATOM 482 CZ PHE A 32 3.988 9.783 -0.189 1.00 0.00 C ATOM 0 H PHE A 32 3.691 5.003 1.281 1.00 0.00 H new ATOM 0 HA PHE A 32 1.992 5.427 3.588 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.234 7.777 3.745 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.870 7.150 3.765 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.308 8.521 1.414 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.449 7.990 2.261 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.881 9.961 -0.491 1.00 0.00 H new ATOM 0 HE2 PHE A 32 6.025 9.430 0.356 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.240 10.413 -1.029 1.00 0.00 H new ATOM 492 N TYR A 33 0.156 5.882 1.987 1.00 0.00 N ATOM 493 CA TYR A 33 -0.936 5.993 1.027 1.00 0.00 C ATOM 494 C TYR A 33 -1.312 7.453 0.797 1.00 0.00 C ATOM 495 O TYR A 33 -1.244 8.275 1.711 1.00 0.00 O ATOM 496 CB TYR A 33 -2.156 5.212 1.519 1.00 0.00 C ATOM 497 CG TYR A 33 -3.437 5.575 0.802 1.00 0.00 C ATOM 498 CD1 TYR A 33 -4.010 6.831 0.956 1.00 0.00 C ATOM 499 CD2 TYR A 33 -4.074 4.662 -0.029 1.00 0.00 C ATOM 500 CE1 TYR A 33 -5.180 7.167 0.303 1.00 0.00 C ATOM 501 CE2 TYR A 33 -5.243 4.989 -0.687 1.00 0.00 C ATOM 502 CZ TYR A 33 -5.793 6.243 -0.517 1.00 0.00 C ATOM 503 OH TYR A 33 -6.959 6.573 -1.170 1.00 0.00 O ATOM 0 H TYR A 33 -0.140 5.672 2.940 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.599 5.570 0.081 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.969 4.146 1.394 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.284 5.390 2.587 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.533 7.557 1.597 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.647 3.679 -0.163 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -5.612 8.148 0.434 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.724 4.268 -1.331 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.461 7.223 -0.635 1.00 0.00 H new ATOM 513 N ASP A 34 -1.709 7.768 -0.431 1.00 0.00 N ATOM 514 CA ASP A 34 -2.098 9.128 -0.784 1.00 0.00 C ATOM 515 C ASP A 34 -3.598 9.213 -1.051 1.00 0.00 C ATOM 516 O ASP A 34 -4.151 8.403 -1.795 1.00 0.00 O ATOM 517 CB ASP A 34 -1.321 9.602 -2.013 1.00 0.00 C ATOM 518 CG ASP A 34 -1.470 11.091 -2.254 1.00 0.00 C ATOM 519 OD1 ASP A 34 -2.540 11.641 -1.921 1.00 0.00 O ATOM 520 OD2 ASP A 34 -0.516 11.706 -2.777 1.00 0.00 O ATOM 0 H ASP A 34 -1.770 7.099 -1.199 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.860 9.777 0.059 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -0.265 9.361 -1.887 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.669 9.058 -2.891 1.00 0.00 H new ATOM 525 N GLU A 35 -4.249 10.197 -0.439 1.00 0.00 N ATOM 526 CA GLU A 35 -5.685 10.385 -0.610 1.00 0.00 C ATOM 527 C GLU A 35 -5.972 11.497 -1.614 1.00 0.00 C ATOM 528 O GLU A 35 -7.032 12.122 -1.578 1.00 0.00 O ATOM 529 CB GLU A 35 -6.342 10.712 0.732 1.00 0.00 C ATOM 530 CG GLU A 35 -5.685 11.868 1.466 1.00 0.00 C ATOM 531 CD GLU A 35 -6.420 12.246 2.737 1.00 0.00 C ATOM 532 OE1 GLU A 35 -7.510 12.847 2.635 1.00 0.00 O ATOM 533 OE2 GLU A 35 -5.907 11.941 3.834 1.00 0.00 O ATOM 0 H GLU A 35 -3.805 10.876 0.179 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.104 9.455 -0.994 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.393 10.949 0.564 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.313 9.826 1.367 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.657 11.600 1.711 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.640 12.734 0.806 1.00 0.00 H new ATOM 540 N ARG A 36 -5.019 11.739 -2.509 1.00 0.00 N ATOM 541 CA ARG A 36 -5.169 12.777 -3.522 1.00 0.00 C ATOM 542 C ARG A 36 -5.364 12.163 -4.905 1.00 0.00 C ATOM 543 O ARG A 36 -6.271 12.547 -5.644 1.00 0.00 O ATOM 544 CB ARG A 36 -3.944 13.693 -3.528 1.00 0.00 C ATOM 545 CG ARG A 36 -3.707 14.402 -2.204 1.00 0.00 C ATOM 546 CD ARG A 36 -2.928 15.694 -2.396 1.00 0.00 C ATOM 547 NE ARG A 36 -3.176 16.648 -1.318 1.00 0.00 N ATOM 548 CZ ARG A 36 -2.520 16.639 -0.163 1.00 0.00 C ATOM 549 NH1 ARG A 36 -1.580 15.731 0.062 1.00 0.00 N ATOM 550 NH2 ARG A 36 -2.803 17.540 0.769 1.00 0.00 N ATOM 0 H ARG A 36 -4.136 11.231 -2.553 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.054 13.365 -3.276 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.062 13.104 -3.778 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.062 14.439 -4.314 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.664 14.620 -1.730 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.160 13.743 -1.530 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.862 15.471 -2.445 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.203 16.145 -3.350 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.892 17.360 -1.460 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.359 15.037 -0.653 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.078 15.726 0.950 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.525 18.240 0.599 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.299 17.532 1.656 1.00 0.00 H new ATOM 564 N LYS A 37 -4.508 11.207 -5.249 1.00 0.00 N ATOM 565 CA LYS A 37 -4.586 10.539 -6.542 1.00 0.00 C ATOM 566 C LYS A 37 -4.921 9.060 -6.371 1.00 0.00 C ATOM 567 O LYS A 37 -4.816 8.277 -7.316 1.00 0.00 O ATOM 568 CB LYS A 37 -3.263 10.689 -7.298 1.00 0.00 C ATOM 569 CG LYS A 37 -2.812 12.131 -7.454 1.00 0.00 C ATOM 570 CD LYS A 37 -1.571 12.236 -8.324 1.00 0.00 C ATOM 571 CE LYS A 37 -0.744 13.461 -7.969 1.00 0.00 C ATOM 572 NZ LYS A 37 0.634 13.382 -8.529 1.00 0.00 N ATOM 0 H LYS A 37 -3.752 10.877 -4.649 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.382 11.010 -7.119 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.489 10.130 -6.773 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.366 10.240 -8.286 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.617 12.719 -7.894 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.606 12.557 -6.472 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.964 11.339 -8.204 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.864 12.285 -9.373 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.239 14.355 -8.347 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.690 13.561 -6.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.166 14.236 -8.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 1.116 12.543 -8.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.584 13.312 -9.565 1.00 0.00 H new ATOM 586 N CYS A 38 -5.324 8.686 -5.162 1.00 0.00 N ATOM 587 CA CYS A 38 -5.676 7.301 -4.868 1.00 0.00 C ATOM 588 C CYS A 38 -4.542 6.358 -5.258 1.00 0.00 C ATOM 589 O CYS A 38 -4.766 5.343 -5.916 1.00 0.00 O ATOM 590 CB CYS A 38 -6.957 6.910 -5.606 1.00 0.00 C ATOM 591 SG CYS A 38 -7.919 5.620 -4.782 1.00 0.00 S ATOM 0 H CYS A 38 -5.415 9.322 -4.370 1.00 0.00 H new ATOM 0 HA CYS A 38 -5.844 7.215 -3.794 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.581 7.796 -5.722 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.697 6.570 -6.608 1.00 0.00 H new ATOM 0 HG CYS A 38 -8.984 5.360 -5.481 1.00 0.00 H new ATOM 597 N GLN A 39 -3.325 6.703 -4.848 1.00 0.00 N ATOM 598 CA GLN A 39 -2.156 5.888 -5.157 1.00 0.00 C ATOM 599 C GLN A 39 -1.280 5.703 -3.922 1.00 0.00 C ATOM 600 O GLN A 39 -1.228 6.571 -3.049 1.00 0.00 O ATOM 601 CB GLN A 39 -1.344 6.530 -6.282 1.00 0.00 C ATOM 602 CG GLN A 39 -2.008 6.430 -7.646 1.00 0.00 C ATOM 603 CD GLN A 39 -1.077 6.814 -8.779 1.00 0.00 C ATOM 604 OE1 GLN A 39 -1.155 7.920 -9.314 1.00 0.00 O ATOM 605 NE2 GLN A 39 -0.188 5.901 -9.150 1.00 0.00 N ATOM 0 H GLN A 39 -3.123 7.540 -4.302 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.503 4.908 -5.484 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -1.177 7.581 -6.045 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -0.364 6.055 -6.328 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.360 5.410 -7.800 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -2.885 7.077 -7.667 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -0.159 4.997 -8.679 1.00 0.00 H new ATOM 0 HE22 GLN A 39 0.466 6.104 -9.906 1.00 0.00 H new ATOM 614 N LEU A 40 -0.593 4.568 -3.855 1.00 0.00 N ATOM 615 CA LEU A 40 0.282 4.269 -2.727 1.00 0.00 C ATOM 616 C LEU A 40 1.719 4.682 -3.028 1.00 0.00 C ATOM 617 O LEU A 40 2.419 4.021 -3.796 1.00 0.00 O ATOM 618 CB LEU A 40 0.227 2.777 -2.395 1.00 0.00 C ATOM 619 CG LEU A 40 1.155 2.304 -1.275 1.00 0.00 C ATOM 620 CD1 LEU A 40 0.708 2.871 0.063 1.00 0.00 C ATOM 621 CD2 LEU A 40 1.197 0.784 -1.225 1.00 0.00 C ATOM 0 H LEU A 40 -0.625 3.840 -4.568 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.068 4.840 -1.867 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.797 2.523 -2.122 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.465 2.215 -3.298 1.00 0.00 H new ATOM 0 HG LEU A 40 2.161 2.669 -1.483 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.380 2.524 0.848 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.730 3.960 0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.306 2.536 0.279 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.862 0.465 -0.423 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.194 0.398 -1.041 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.565 0.399 -2.176 1.00 0.00 H new ATOM 633 N TYR A 41 2.154 5.779 -2.417 1.00 0.00 N ATOM 634 CA TYR A 41 3.509 6.280 -2.619 1.00 0.00 C ATOM 635 C TYR A 41 4.433 5.823 -1.495 1.00 0.00 C ATOM 636 O TYR A 41 4.006 5.666 -0.351 1.00 0.00 O ATOM 637 CB TYR A 41 3.502 7.808 -2.700 1.00 0.00 C ATOM 638 CG TYR A 41 2.647 8.351 -3.823 1.00 0.00 C ATOM 639 CD1 TYR A 41 1.261 8.368 -3.721 1.00 0.00 C ATOM 640 CD2 TYR A 41 3.225 8.849 -4.984 1.00 0.00 C ATOM 641 CE1 TYR A 41 0.476 8.862 -4.745 1.00 0.00 C ATOM 642 CE2 TYR A 41 2.448 9.347 -6.012 1.00 0.00 C ATOM 643 CZ TYR A 41 1.074 9.351 -5.888 1.00 0.00 C ATOM 644 OH TYR A 41 0.296 9.846 -6.909 1.00 0.00 O ATOM 0 H TYR A 41 1.588 6.338 -1.778 1.00 0.00 H new ATOM 0 HA TYR A 41 3.883 5.874 -3.559 1.00 0.00 H new ATOM 0 HB2 TYR A 41 3.143 8.212 -1.753 1.00 0.00 H new ATOM 0 HB3 TYR A 41 4.525 8.161 -2.830 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.790 7.989 -2.826 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.300 8.847 -5.085 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.600 8.865 -4.651 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.914 9.731 -6.908 1.00 0.00 H new ATOM 0 HH TYR A 41 0.872 10.152 -7.641 1.00 0.00 H new ATOM 654 N TYR A 42 5.701 5.612 -1.829 1.00 0.00 N ATOM 655 CA TYR A 42 6.686 5.172 -0.849 1.00 0.00 C ATOM 656 C TYR A 42 8.060 5.759 -1.157 1.00 0.00 C ATOM 657 O TYR A 42 8.481 5.812 -2.312 1.00 0.00 O ATOM 658 CB TYR A 42 6.766 3.644 -0.826 1.00 0.00 C ATOM 659 CG TYR A 42 7.436 3.055 -2.047 1.00 0.00 C ATOM 660 CD1 TYR A 42 8.821 3.035 -2.162 1.00 0.00 C ATOM 661 CD2 TYR A 42 6.685 2.518 -3.085 1.00 0.00 C ATOM 662 CE1 TYR A 42 9.438 2.498 -3.275 1.00 0.00 C ATOM 663 CE2 TYR A 42 7.294 1.977 -4.201 1.00 0.00 C ATOM 664 CZ TYR A 42 8.670 1.970 -4.292 1.00 0.00 C ATOM 665 OH TYR A 42 9.280 1.434 -5.403 1.00 0.00 O ATOM 0 H TYR A 42 6.071 5.739 -2.771 1.00 0.00 H new ATOM 0 HA TYR A 42 6.370 5.528 0.132 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.311 3.330 0.064 1.00 0.00 H new ATOM 0 HB3 TYR A 42 5.758 3.237 -0.743 1.00 0.00 H new ATOM 0 HD1 TYR A 42 9.425 3.447 -1.367 1.00 0.00 H new ATOM 0 HD2 TYR A 42 5.607 2.523 -3.019 1.00 0.00 H new ATOM 0 HE1 TYR A 42 10.515 2.492 -3.349 1.00 0.00 H new ATOM 0 HE2 TYR A 42 6.695 1.562 -4.998 1.00 0.00 H new ATOM 0 HH TYR A 42 8.597 1.104 -6.024 1.00 0.00 H new ATOM 675 N SER A 43 8.755 6.200 -0.113 1.00 0.00 N ATOM 676 CA SER A 43 10.081 6.787 -0.269 1.00 0.00 C ATOM 677 C SER A 43 11.054 6.212 0.755 1.00 0.00 C ATOM 678 O SER A 43 10.701 5.328 1.536 1.00 0.00 O ATOM 679 CB SER A 43 10.009 8.308 -0.124 1.00 0.00 C ATOM 680 OG SER A 43 9.174 8.678 0.961 1.00 0.00 O ATOM 0 H SER A 43 8.422 6.162 0.850 1.00 0.00 H new ATOM 0 HA SER A 43 10.445 6.541 -1.267 1.00 0.00 H new ATOM 0 HB2 SER A 43 11.011 8.710 0.030 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.628 8.747 -1.046 1.00 0.00 H new ATOM 0 HG SER A 43 9.725 8.865 1.749 1.00 0.00 H new ATOM 686 N ARG A 44 12.282 6.721 0.746 1.00 0.00 N ATOM 687 CA ARG A 44 13.308 6.258 1.672 1.00 0.00 C ATOM 688 C ARG A 44 12.876 6.484 3.118 1.00 0.00 C ATOM 689 O ARG A 44 12.937 5.574 3.946 1.00 0.00 O ATOM 690 CB ARG A 44 14.630 6.979 1.405 1.00 0.00 C ATOM 691 CG ARG A 44 15.043 6.972 -0.058 1.00 0.00 C ATOM 692 CD ARG A 44 16.287 7.815 -0.290 1.00 0.00 C ATOM 693 NE ARG A 44 17.511 7.026 -0.178 1.00 0.00 N ATOM 694 CZ ARG A 44 17.965 6.234 -1.143 1.00 0.00 C ATOM 695 NH1 ARG A 44 17.300 6.125 -2.284 1.00 0.00 N ATOM 696 NH2 ARG A 44 19.087 5.548 -0.966 1.00 0.00 N ATOM 0 H ARG A 44 12.590 7.454 0.107 1.00 0.00 H new ATOM 0 HA ARG A 44 13.448 5.188 1.515 1.00 0.00 H new ATOM 0 HB2 ARG A 44 14.546 8.011 1.745 1.00 0.00 H new ATOM 0 HB3 ARG A 44 15.416 6.511 1.998 1.00 0.00 H new ATOM 0 HG2 ARG A 44 15.231 5.948 -0.379 1.00 0.00 H new ATOM 0 HG3 ARG A 44 14.225 7.352 -0.670 1.00 0.00 H new ATOM 0 HD2 ARG A 44 16.238 8.269 -1.280 1.00 0.00 H new ATOM 0 HD3 ARG A 44 16.313 8.630 0.434 1.00 0.00 H new ATOM 0 HE ARG A 44 18.046 7.086 0.688 1.00 0.00 H new ATOM 0 HH11 ARG A 44 16.437 6.650 -2.423 1.00 0.00 H new ATOM 0 HH12 ARG A 44 17.651 5.516 -3.023 1.00 0.00 H new ATOM 0 HH21 ARG A 44 19.601 5.629 -0.089 1.00 0.00 H new ATOM 0 HH22 ARG A 44 19.435 4.940 -1.707 1.00 0.00 H new ATOM 710 N THR A 45 12.440 7.704 3.417 1.00 0.00 N ATOM 711 CA THR A 45 12.000 8.051 4.762 1.00 0.00 C ATOM 712 C THR A 45 10.788 8.975 4.723 1.00 0.00 C ATOM 713 O THR A 45 10.299 9.328 3.650 1.00 0.00 O ATOM 714 CB THR A 45 13.125 8.733 5.563 1.00 0.00 C ATOM 715 OG1 THR A 45 13.325 10.069 5.087 1.00 0.00 O ATOM 716 CG2 THR A 45 14.424 7.949 5.447 1.00 0.00 C ATOM 0 H THR A 45 12.382 8.469 2.744 1.00 0.00 H new ATOM 0 HA THR A 45 11.727 7.118 5.255 1.00 0.00 H new ATOM 0 HB THR A 45 12.828 8.761 6.611 1.00 0.00 H new ATOM 0 HG1 THR A 45 14.041 10.496 5.603 1.00 0.00 H new ATOM 0 HG21 THR A 45 15.204 8.450 6.021 1.00 0.00 H new ATOM 0 HG22 THR A 45 14.277 6.942 5.837 1.00 0.00 H new ATOM 0 HG23 THR A 45 14.723 7.893 4.400 1.00 0.00 H new ATOM 724 N ALA A 46 10.308 9.363 5.900 1.00 0.00 N ATOM 725 CA ALA A 46 9.154 10.248 5.999 1.00 0.00 C ATOM 726 C ALA A 46 9.548 11.696 5.730 1.00 0.00 C ATOM 727 O ALA A 46 8.713 12.514 5.344 1.00 0.00 O ATOM 728 CB ALA A 46 8.509 10.122 7.372 1.00 0.00 C ATOM 0 H ALA A 46 10.700 9.079 6.798 1.00 0.00 H new ATOM 0 HA ALA A 46 8.431 9.948 5.240 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.648 10.788 7.432 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.183 9.094 7.528 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.233 10.394 8.140 1.00 0.00 H new ATOM 734 N GLN A 47 10.824 12.006 5.936 1.00 0.00 N ATOM 735 CA GLN A 47 11.328 13.356 5.716 1.00 0.00 C ATOM 736 C GLN A 47 11.339 13.697 4.229 1.00 0.00 C ATOM 737 O GLN A 47 11.083 14.837 3.842 1.00 0.00 O ATOM 738 CB GLN A 47 12.736 13.499 6.295 1.00 0.00 C ATOM 739 CG GLN A 47 12.759 13.658 7.807 1.00 0.00 C ATOM 740 CD GLN A 47 14.056 13.175 8.425 1.00 0.00 C ATOM 741 OE1 GLN A 47 15.075 13.866 8.378 1.00 0.00 O ATOM 742 NE2 GLN A 47 14.026 11.983 9.009 1.00 0.00 N ATOM 0 H GLN A 47 11.528 11.340 6.255 1.00 0.00 H new ATOM 0 HA GLN A 47 10.662 14.053 6.225 1.00 0.00 H new ATOM 0 HB2 GLN A 47 13.323 12.622 6.021 1.00 0.00 H new ATOM 0 HB3 GLN A 47 13.221 14.362 5.840 1.00 0.00 H new ATOM 0 HG2 GLN A 47 12.609 14.707 8.060 1.00 0.00 H new ATOM 0 HG3 GLN A 47 11.926 13.103 8.240 1.00 0.00 H new ATOM 0 HE21 GLN A 47 13.160 11.444 9.025 1.00 0.00 H new ATOM 0 HE22 GLN A 47 14.869 11.606 9.442 1.00 0.00 H new ATOM 751 N ASP A 48 11.639 12.702 3.401 1.00 0.00 N ATOM 752 CA ASP A 48 11.684 12.897 1.957 1.00 0.00 C ATOM 753 C ASP A 48 10.276 13.021 1.381 1.00 0.00 C ATOM 754 O ASP A 48 9.833 12.171 0.610 1.00 0.00 O ATOM 755 CB ASP A 48 12.421 11.736 1.287 1.00 0.00 C ATOM 756 CG ASP A 48 13.927 11.861 1.407 1.00 0.00 C ATOM 757 OD1 ASP A 48 14.429 13.004 1.415 1.00 0.00 O ATOM 758 OD2 ASP A 48 14.605 10.815 1.492 1.00 0.00 O ATOM 0 H ASP A 48 11.855 11.753 3.705 1.00 0.00 H new ATOM 0 HA ASP A 48 12.222 13.823 1.757 1.00 0.00 H new ATOM 0 HB2 ASP A 48 12.100 10.797 1.738 1.00 0.00 H new ATOM 0 HB3 ASP A 48 12.145 11.694 0.233 1.00 0.00 H new ATOM 763 N ALA A 49 9.578 14.085 1.764 1.00 0.00 N ATOM 764 CA ALA A 49 8.222 14.321 1.285 1.00 0.00 C ATOM 765 C ALA A 49 8.048 13.816 -0.143 1.00 0.00 C ATOM 766 O ALA A 49 7.011 13.252 -0.490 1.00 0.00 O ATOM 767 CB ALA A 49 7.883 15.802 1.368 1.00 0.00 C ATOM 0 H ALA A 49 9.929 14.797 2.404 1.00 0.00 H new ATOM 0 HA ALA A 49 7.536 13.766 1.925 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.867 15.964 1.007 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.957 16.135 2.403 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.581 16.370 0.753 1.00 0.00 H new ATOM 773 N ASN A 50 9.069 14.023 -0.968 1.00 0.00 N ATOM 774 CA ASN A 50 9.028 13.590 -2.360 1.00 0.00 C ATOM 775 C ASN A 50 9.080 12.068 -2.457 1.00 0.00 C ATOM 776 O ASN A 50 10.092 11.436 -2.154 1.00 0.00 O ATOM 777 CB ASN A 50 10.193 14.202 -3.141 1.00 0.00 C ATOM 778 CG ASN A 50 10.510 15.616 -2.693 1.00 0.00 C ATOM 779 OD1 ASN A 50 11.647 15.926 -2.340 1.00 0.00 O ATOM 780 ND2 ASN A 50 9.502 16.480 -2.706 1.00 0.00 N ATOM 0 H ASN A 50 9.935 14.488 -0.697 1.00 0.00 H new ATOM 0 HA ASN A 50 8.089 13.933 -2.794 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.078 13.578 -3.017 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.952 14.206 -4.204 1.00 0.00 H new ATOM 0 HD21 ASN A 50 9.654 17.446 -2.415 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.575 16.178 -3.007 1.00 0.00 H new ATOM 787 N PRO A 51 7.963 11.465 -2.891 1.00 0.00 N ATOM 788 CA PRO A 51 7.856 10.010 -3.040 1.00 0.00 C ATOM 789 C PRO A 51 8.706 9.481 -4.190 1.00 0.00 C ATOM 790 O PRO A 51 8.840 10.131 -5.228 1.00 0.00 O ATOM 791 CB PRO A 51 6.369 9.792 -3.330 1.00 0.00 C ATOM 792 CG PRO A 51 5.908 11.076 -3.930 1.00 0.00 C ATOM 793 CD PRO A 51 6.720 12.156 -3.271 1.00 0.00 C ATOM 0 HA PRO A 51 8.214 9.482 -2.156 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.217 8.958 -4.015 1.00 0.00 H new ATOM 0 HB3 PRO A 51 5.818 9.560 -2.419 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.058 11.078 -5.010 1.00 0.00 H new ATOM 0 HG3 PRO A 51 4.843 11.228 -3.756 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.913 12.985 -3.952 1.00 0.00 H new ATOM 0 HD3 PRO A 51 6.208 12.570 -2.402 1.00 0.00 H new ATOM 801 N LEU A 52 9.279 8.298 -4.000 1.00 0.00 N ATOM 802 CA LEU A 52 10.117 7.680 -5.022 1.00 0.00 C ATOM 803 C LEU A 52 9.266 7.103 -6.148 1.00 0.00 C ATOM 804 O LEU A 52 9.499 7.385 -7.323 1.00 0.00 O ATOM 805 CB LEU A 52 10.982 6.580 -4.405 1.00 0.00 C ATOM 806 CG LEU A 52 11.938 7.020 -3.296 1.00 0.00 C ATOM 807 CD1 LEU A 52 12.452 5.814 -2.524 1.00 0.00 C ATOM 808 CD2 LEU A 52 13.097 7.817 -3.876 1.00 0.00 C ATOM 0 H LEU A 52 9.179 7.747 -3.147 1.00 0.00 H new ATOM 0 HA LEU A 52 10.765 8.451 -5.440 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.323 5.809 -4.005 1.00 0.00 H new ATOM 0 HB3 LEU A 52 11.568 6.118 -5.200 1.00 0.00 H new ATOM 0 HG LEU A 52 11.391 7.662 -2.605 1.00 0.00 H new ATOM 0 HD11 LEU A 52 13.131 6.147 -1.739 1.00 0.00 H new ATOM 0 HD12 LEU A 52 11.612 5.284 -2.076 1.00 0.00 H new ATOM 0 HD13 LEU A 52 12.982 5.146 -3.203 1.00 0.00 H new ATOM 0 HD21 LEU A 52 13.767 8.122 -3.072 1.00 0.00 H new ATOM 0 HD22 LEU A 52 13.643 7.199 -4.589 1.00 0.00 H new ATOM 0 HD23 LEU A 52 12.712 8.702 -4.383 1.00 0.00 H new ATOM 820 N ASP A 53 8.277 6.295 -5.780 1.00 0.00 N ATOM 821 CA ASP A 53 7.388 5.680 -6.759 1.00 0.00 C ATOM 822 C ASP A 53 5.993 5.479 -6.175 1.00 0.00 C ATOM 823 O ASP A 53 5.823 5.407 -4.958 1.00 0.00 O ATOM 824 CB ASP A 53 7.957 4.339 -7.225 1.00 0.00 C ATOM 825 CG ASP A 53 7.130 3.711 -8.329 1.00 0.00 C ATOM 826 OD1 ASP A 53 6.867 4.399 -9.338 1.00 0.00 O ATOM 827 OD2 ASP A 53 6.747 2.531 -8.186 1.00 0.00 O ATOM 0 H ASP A 53 8.071 6.051 -4.811 1.00 0.00 H new ATOM 0 HA ASP A 53 7.311 6.350 -7.615 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.978 4.484 -7.578 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.006 3.655 -6.378 1.00 0.00 H new ATOM 832 N SER A 54 4.998 5.391 -7.052 1.00 0.00 N ATOM 833 CA SER A 54 3.616 5.204 -6.623 1.00 0.00 C ATOM 834 C SER A 54 3.012 3.960 -7.266 1.00 0.00 C ATOM 835 O SER A 54 3.396 3.569 -8.369 1.00 0.00 O ATOM 836 CB SER A 54 2.779 6.434 -6.979 1.00 0.00 C ATOM 837 OG SER A 54 2.398 6.414 -8.344 1.00 0.00 O ATOM 0 H SER A 54 5.122 5.446 -8.063 1.00 0.00 H new ATOM 0 HA SER A 54 3.611 5.071 -5.541 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.889 6.467 -6.350 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.350 7.339 -6.771 1.00 0.00 H new ATOM 0 HG SER A 54 2.307 7.333 -8.672 1.00 0.00 H new ATOM 843 N ILE A 55 2.065 3.342 -6.569 1.00 0.00 N ATOM 844 CA ILE A 55 1.406 2.142 -7.071 1.00 0.00 C ATOM 845 C ILE A 55 -0.111 2.299 -7.050 1.00 0.00 C ATOM 846 O ILE A 55 -0.711 2.491 -5.993 1.00 0.00 O ATOM 847 CB ILE A 55 1.794 0.900 -6.248 1.00 0.00 C ATOM 848 CG1 ILE A 55 3.313 0.710 -6.256 1.00 0.00 C ATOM 849 CG2 ILE A 55 1.097 -0.337 -6.795 1.00 0.00 C ATOM 850 CD1 ILE A 55 4.022 1.470 -5.157 1.00 0.00 C ATOM 0 H ILE A 55 1.736 3.652 -5.655 1.00 0.00 H new ATOM 0 HA ILE A 55 1.741 2.005 -8.099 1.00 0.00 H new ATOM 0 HB ILE A 55 1.471 1.049 -5.218 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.539 -0.352 -6.157 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.706 1.031 -7.221 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.381 -1.207 -6.203 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.017 -0.199 -6.742 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.393 -0.492 -7.833 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.095 1.289 -5.223 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.826 2.537 -5.268 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.656 1.133 -4.187 1.00 0.00 H new ATOM 862 N ASP A 56 -0.725 2.213 -8.225 1.00 0.00 N ATOM 863 CA ASP A 56 -2.172 2.342 -8.343 1.00 0.00 C ATOM 864 C ASP A 56 -2.878 1.161 -7.685 1.00 0.00 C ATOM 865 O ASP A 56 -2.902 0.056 -8.230 1.00 0.00 O ATOM 866 CB ASP A 56 -2.580 2.441 -9.813 1.00 0.00 C ATOM 867 CG ASP A 56 -4.010 2.912 -9.988 1.00 0.00 C ATOM 868 OD1 ASP A 56 -4.776 2.863 -9.002 1.00 0.00 O ATOM 869 OD2 ASP A 56 -4.363 3.332 -11.110 1.00 0.00 O ATOM 0 H ASP A 56 -0.242 2.054 -9.110 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.473 3.255 -7.829 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.909 3.129 -10.327 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.461 1.466 -10.286 1.00 0.00 H new ATOM 874 N LEU A 57 -3.450 1.399 -6.510 1.00 0.00 N ATOM 875 CA LEU A 57 -4.156 0.355 -5.776 1.00 0.00 C ATOM 876 C LEU A 57 -5.479 0.012 -6.453 1.00 0.00 C ATOM 877 O LEU A 57 -5.985 -1.102 -6.322 1.00 0.00 O ATOM 878 CB LEU A 57 -4.408 0.798 -4.334 1.00 0.00 C ATOM 879 CG LEU A 57 -3.169 1.172 -3.520 1.00 0.00 C ATOM 880 CD1 LEU A 57 -3.570 1.792 -2.191 1.00 0.00 C ATOM 881 CD2 LEU A 57 -2.290 -0.050 -3.296 1.00 0.00 C ATOM 0 H LEU A 57 -3.439 2.307 -6.045 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.530 -0.537 -5.771 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.080 1.656 -4.351 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.930 -0.005 -3.814 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.597 1.909 -4.083 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.675 2.052 -1.626 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.158 2.692 -2.372 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.165 1.078 -1.621 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.413 0.234 -2.715 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.854 -0.809 -2.754 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.973 -0.452 -4.258 1.00 0.00 H new ATOM 893 N SER A 58 -6.033 0.977 -7.180 1.00 0.00 N ATOM 894 CA SER A 58 -7.298 0.779 -7.878 1.00 0.00 C ATOM 895 C SER A 58 -7.291 -0.536 -8.652 1.00 0.00 C ATOM 896 O SER A 58 -8.228 -1.328 -8.559 1.00 0.00 O ATOM 897 CB SER A 58 -7.567 1.944 -8.832 1.00 0.00 C ATOM 898 OG SER A 58 -7.601 3.177 -8.134 1.00 0.00 O ATOM 0 H SER A 58 -5.626 1.904 -7.301 1.00 0.00 H new ATOM 0 HA SER A 58 -8.093 0.738 -7.133 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.792 1.977 -9.598 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.516 1.787 -9.345 1.00 0.00 H new ATOM 0 HG SER A 58 -6.709 3.583 -8.143 1.00 0.00 H new ATOM 904 N SER A 59 -6.227 -0.760 -9.416 1.00 0.00 N ATOM 905 CA SER A 59 -6.098 -1.976 -10.210 1.00 0.00 C ATOM 906 C SER A 59 -5.042 -2.903 -9.616 1.00 0.00 C ATOM 907 O SER A 59 -4.342 -3.609 -10.340 1.00 0.00 O ATOM 908 CB SER A 59 -5.734 -1.630 -11.655 1.00 0.00 C ATOM 909 OG SER A 59 -6.885 -1.268 -12.398 1.00 0.00 O ATOM 0 H SER A 59 -5.441 -0.115 -9.502 1.00 0.00 H new ATOM 0 HA SER A 59 -7.058 -2.492 -10.198 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.017 -0.809 -11.666 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.247 -2.484 -12.125 1.00 0.00 H new ATOM 0 HG SER A 59 -6.626 -1.050 -13.318 1.00 0.00 H new ATOM 915 N ALA A 60 -4.935 -2.895 -8.291 1.00 0.00 N ATOM 916 CA ALA A 60 -3.967 -3.736 -7.598 1.00 0.00 C ATOM 917 C ALA A 60 -4.665 -4.751 -6.699 1.00 0.00 C ATOM 918 O ALA A 60 -5.797 -4.537 -6.266 1.00 0.00 O ATOM 919 CB ALA A 60 -3.009 -2.879 -6.784 1.00 0.00 C ATOM 0 H ALA A 60 -5.507 -2.315 -7.676 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.398 -4.285 -8.348 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.292 -3.521 -6.272 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.477 -2.198 -7.448 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.571 -2.304 -6.048 1.00 0.00 H new ATOM 925 N VAL A 61 -3.983 -5.858 -6.423 1.00 0.00 N ATOM 926 CA VAL A 61 -4.538 -6.907 -5.576 1.00 0.00 C ATOM 927 C VAL A 61 -3.530 -7.354 -4.523 1.00 0.00 C ATOM 928 O VAL A 61 -2.445 -7.834 -4.851 1.00 0.00 O ATOM 929 CB VAL A 61 -4.973 -8.129 -6.406 1.00 0.00 C ATOM 930 CG1 VAL A 61 -4.041 -8.327 -7.592 1.00 0.00 C ATOM 931 CG2 VAL A 61 -5.015 -9.376 -5.537 1.00 0.00 C ATOM 0 H VAL A 61 -3.045 -6.052 -6.774 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.413 -6.484 -5.082 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.977 -7.948 -6.789 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.363 -9.195 -8.167 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.066 -7.441 -8.227 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.024 -8.487 -7.233 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.324 -10.230 -6.140 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.025 -9.564 -5.123 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.726 -9.229 -4.724 1.00 0.00 H new ATOM 941 N PHE A 62 -3.896 -7.193 -3.255 1.00 0.00 N ATOM 942 CA PHE A 62 -3.024 -7.580 -2.153 1.00 0.00 C ATOM 943 C PHE A 62 -3.219 -9.050 -1.795 1.00 0.00 C ATOM 944 O PHE A 62 -4.348 -9.526 -1.672 1.00 0.00 O ATOM 945 CB PHE A 62 -3.296 -6.705 -0.928 1.00 0.00 C ATOM 946 CG PHE A 62 -3.813 -5.337 -1.272 1.00 0.00 C ATOM 947 CD1 PHE A 62 -3.036 -4.452 -2.002 1.00 0.00 C ATOM 948 CD2 PHE A 62 -5.074 -4.936 -0.864 1.00 0.00 C ATOM 949 CE1 PHE A 62 -3.508 -3.192 -2.320 1.00 0.00 C ATOM 950 CE2 PHE A 62 -5.552 -3.678 -1.179 1.00 0.00 C ATOM 951 CZ PHE A 62 -4.768 -2.805 -1.907 1.00 0.00 C ATOM 0 H PHE A 62 -4.791 -6.797 -2.966 1.00 0.00 H new ATOM 0 HA PHE A 62 -1.992 -7.436 -2.472 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -4.019 -7.207 -0.286 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.376 -6.603 -0.353 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.050 -4.750 -2.326 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.691 -5.614 -0.293 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -2.893 -2.512 -2.890 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.538 -3.378 -0.856 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.139 -1.821 -2.153 1.00 0.00 H new ATOM 961 N ASP A 63 -2.111 -9.765 -1.630 1.00 0.00 N ATOM 962 CA ASP A 63 -2.159 -11.181 -1.285 1.00 0.00 C ATOM 963 C ASP A 63 -1.132 -11.513 -0.207 1.00 0.00 C ATOM 964 O ASP A 63 -0.211 -10.736 0.047 1.00 0.00 O ATOM 965 CB ASP A 63 -1.909 -12.038 -2.527 1.00 0.00 C ATOM 966 CG ASP A 63 -2.119 -13.516 -2.262 1.00 0.00 C ATOM 967 OD1 ASP A 63 -2.946 -13.850 -1.388 1.00 0.00 O ATOM 968 OD2 ASP A 63 -1.456 -14.339 -2.928 1.00 0.00 O ATOM 0 H ASP A 63 -1.169 -9.387 -1.730 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.152 -11.402 -0.894 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.576 -11.717 -3.327 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.890 -11.876 -2.878 1.00 0.00 H new ATOM 973 N CYS A 64 -1.297 -12.670 0.423 1.00 0.00 N ATOM 974 CA CYS A 64 -0.385 -13.105 1.476 1.00 0.00 C ATOM 975 C CYS A 64 0.532 -14.216 0.976 1.00 0.00 C ATOM 976 O CYS A 64 0.074 -15.198 0.391 1.00 0.00 O ATOM 977 CB CYS A 64 -1.172 -13.586 2.695 1.00 0.00 C ATOM 978 SG CYS A 64 -2.259 -14.992 2.364 1.00 0.00 S ATOM 0 H CYS A 64 -2.054 -13.324 0.224 1.00 0.00 H new ATOM 0 HA CYS A 64 0.231 -12.253 1.764 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -0.470 -13.861 3.482 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -1.771 -12.759 3.077 1.00 0.00 H new ATOM 0 HG CYS A 64 -1.768 -15.701 1.391 1.00 0.00 H new ATOM 984 N LYS A 65 1.830 -14.055 1.208 1.00 0.00 N ATOM 985 CA LYS A 65 2.813 -15.044 0.782 1.00 0.00 C ATOM 986 C LYS A 65 2.620 -16.360 1.528 1.00 0.00 C ATOM 987 O LYS A 65 1.765 -16.466 2.407 1.00 0.00 O ATOM 988 CB LYS A 65 4.231 -14.517 1.015 1.00 0.00 C ATOM 989 CG LYS A 65 4.801 -13.759 -0.171 1.00 0.00 C ATOM 990 CD LYS A 65 5.392 -14.703 -1.205 1.00 0.00 C ATOM 991 CE LYS A 65 6.769 -15.196 -0.786 1.00 0.00 C ATOM 992 NZ LYS A 65 7.804 -14.135 -0.926 1.00 0.00 N ATOM 0 H LYS A 65 2.226 -13.248 1.689 1.00 0.00 H new ATOM 0 HA LYS A 65 2.670 -15.226 -0.283 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.227 -13.862 1.886 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.887 -15.355 1.249 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.016 -13.159 -0.632 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.570 -13.068 0.174 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.726 -15.555 -1.345 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.463 -14.193 -2.166 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.734 -15.535 0.249 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.047 -16.057 -1.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.749 -14.557 -0.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.719 -13.688 -1.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.668 -13.417 -0.186 1.00 0.00 H new ATOM 1006 N ALA A 66 3.420 -17.359 1.173 1.00 0.00 N ATOM 1007 CA ALA A 66 3.339 -18.667 1.812 1.00 0.00 C ATOM 1008 C ALA A 66 3.710 -18.581 3.288 1.00 0.00 C ATOM 1009 O ALA A 66 3.017 -19.130 4.145 1.00 0.00 O ATOM 1010 CB ALA A 66 4.242 -19.661 1.096 1.00 0.00 C ATOM 0 H ALA A 66 4.132 -17.288 0.446 1.00 0.00 H new ATOM 0 HA ALA A 66 2.308 -19.014 1.743 1.00 0.00 H new ATOM 0 HB1 ALA A 66 4.172 -20.633 1.584 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.929 -19.753 0.056 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.273 -19.309 1.135 1.00 0.00 H new ATOM 1016 N ASP A 67 4.806 -17.889 3.579 1.00 0.00 N ATOM 1017 CA ASP A 67 5.269 -17.731 4.953 1.00 0.00 C ATOM 1018 C ASP A 67 4.546 -16.577 5.640 1.00 0.00 C ATOM 1019 O ASP A 67 5.137 -15.847 6.435 1.00 0.00 O ATOM 1020 CB ASP A 67 6.779 -17.491 4.980 1.00 0.00 C ATOM 1021 CG ASP A 67 7.570 -18.743 4.653 1.00 0.00 C ATOM 1022 OD1 ASP A 67 7.128 -19.843 5.046 1.00 0.00 O ATOM 1023 OD2 ASP A 67 8.630 -18.622 4.004 1.00 0.00 O ATOM 0 H ASP A 67 5.391 -17.428 2.882 1.00 0.00 H new ATOM 0 HA ASP A 67 5.045 -18.650 5.494 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.032 -16.708 4.266 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.069 -17.129 5.966 1.00 0.00 H new ATOM 1028 N ALA A 68 3.264 -16.417 5.327 1.00 0.00 N ATOM 1029 CA ALA A 68 2.460 -15.353 5.915 1.00 0.00 C ATOM 1030 C ALA A 68 2.568 -15.360 7.436 1.00 0.00 C ATOM 1031 O ALA A 68 2.445 -14.319 8.080 1.00 0.00 O ATOM 1032 CB ALA A 68 1.007 -15.491 5.486 1.00 0.00 C ATOM 0 H ALA A 68 2.760 -17.011 4.669 1.00 0.00 H new ATOM 0 HA ALA A 68 2.845 -14.399 5.554 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.418 -14.690 5.933 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.941 -15.428 4.400 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.620 -16.454 5.818 1.00 0.00 H new ATOM 1038 N GLU A 69 2.797 -16.541 8.003 1.00 0.00 N ATOM 1039 CA GLU A 69 2.919 -16.682 9.449 1.00 0.00 C ATOM 1040 C GLU A 69 3.775 -15.563 10.034 1.00 0.00 C ATOM 1041 O GLU A 69 3.548 -15.119 11.159 1.00 0.00 O ATOM 1042 CB GLU A 69 3.526 -18.042 9.801 1.00 0.00 C ATOM 1043 CG GLU A 69 4.994 -18.167 9.432 1.00 0.00 C ATOM 1044 CD GLU A 69 5.917 -17.729 10.552 1.00 0.00 C ATOM 1045 OE1 GLU A 69 5.830 -18.312 11.654 1.00 0.00 O ATOM 1046 OE2 GLU A 69 6.726 -16.804 10.329 1.00 0.00 O ATOM 0 H GLU A 69 2.902 -17.412 7.483 1.00 0.00 H new ATOM 0 HA GLU A 69 1.921 -16.615 9.881 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.413 -18.215 10.871 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.964 -18.824 9.291 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.212 -19.203 9.171 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.194 -17.566 8.545 1.00 0.00 H new ATOM 1053 N GLU A 70 4.759 -15.113 9.262 1.00 0.00 N ATOM 1054 CA GLU A 70 5.650 -14.048 9.705 1.00 0.00 C ATOM 1055 C GLU A 70 5.011 -12.679 9.490 1.00 0.00 C ATOM 1056 O GLU A 70 5.197 -11.762 10.288 1.00 0.00 O ATOM 1057 CB GLU A 70 6.984 -14.123 8.958 1.00 0.00 C ATOM 1058 CG GLU A 70 7.811 -12.853 9.058 1.00 0.00 C ATOM 1059 CD GLU A 70 9.300 -13.115 8.943 1.00 0.00 C ATOM 1060 OE1 GLU A 70 9.788 -14.061 9.596 1.00 0.00 O ATOM 1061 OE2 GLU A 70 9.976 -12.374 8.200 1.00 0.00 O ATOM 0 H GLU A 70 4.959 -15.469 8.327 1.00 0.00 H new ATOM 0 HA GLU A 70 5.831 -14.182 10.771 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.565 -14.957 9.353 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.790 -14.338 7.907 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.506 -12.162 8.272 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.605 -12.364 10.010 1.00 0.00 H new ATOM 1068 N GLY A 71 4.257 -12.549 8.402 1.00 0.00 N ATOM 1069 CA GLY A 71 3.602 -11.290 8.099 1.00 0.00 C ATOM 1070 C GLY A 71 4.077 -10.689 6.792 1.00 0.00 C ATOM 1071 O GLY A 71 4.588 -9.569 6.766 1.00 0.00 O ATOM 0 H GLY A 71 4.088 -13.293 7.725 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.524 -11.447 8.053 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.787 -10.584 8.908 1.00 0.00 H new ATOM 1075 N ILE A 72 3.911 -11.435 5.705 1.00 0.00 N ATOM 1076 CA ILE A 72 4.328 -10.968 4.388 1.00 0.00 C ATOM 1077 C ILE A 72 3.153 -10.941 3.417 1.00 0.00 C ATOM 1078 O ILE A 72 2.222 -11.738 3.530 1.00 0.00 O ATOM 1079 CB ILE A 72 5.442 -11.856 3.803 1.00 0.00 C ATOM 1080 CG1 ILE A 72 6.537 -12.093 4.846 1.00 0.00 C ATOM 1081 CG2 ILE A 72 6.026 -11.219 2.551 1.00 0.00 C ATOM 1082 CD1 ILE A 72 6.185 -13.159 5.860 1.00 0.00 C ATOM 0 H ILE A 72 3.491 -12.365 5.710 1.00 0.00 H new ATOM 0 HA ILE A 72 4.712 -9.956 4.519 1.00 0.00 H new ATOM 0 HB ILE A 72 5.011 -12.819 3.530 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.458 -12.378 4.336 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.738 -11.158 5.369 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.812 -11.859 2.150 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.241 -11.097 1.805 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.444 -10.244 2.800 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.006 -13.274 6.568 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.282 -12.867 6.396 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.013 -14.106 5.348 1.00 0.00 H new ATOM 1094 N PHE A 73 3.204 -10.019 2.461 1.00 0.00 N ATOM 1095 CA PHE A 73 2.144 -9.887 1.469 1.00 0.00 C ATOM 1096 C PHE A 73 2.719 -9.522 0.103 1.00 0.00 C ATOM 1097 O PHE A 73 3.930 -9.371 -0.050 1.00 0.00 O ATOM 1098 CB PHE A 73 1.133 -8.826 1.909 1.00 0.00 C ATOM 1099 CG PHE A 73 1.759 -7.500 2.232 1.00 0.00 C ATOM 1100 CD1 PHE A 73 2.333 -7.274 3.473 1.00 0.00 C ATOM 1101 CD2 PHE A 73 1.773 -6.479 1.296 1.00 0.00 C ATOM 1102 CE1 PHE A 73 2.908 -6.054 3.774 1.00 0.00 C ATOM 1103 CE2 PHE A 73 2.348 -5.257 1.591 1.00 0.00 C ATOM 1104 CZ PHE A 73 2.917 -5.045 2.831 1.00 0.00 C ATOM 0 H PHE A 73 3.968 -9.352 2.353 1.00 0.00 H new ATOM 0 HA PHE A 73 1.638 -10.849 1.385 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.396 -8.688 1.118 1.00 0.00 H new ATOM 0 HB3 PHE A 73 0.596 -9.189 2.786 1.00 0.00 H new ATOM 0 HD1 PHE A 73 2.331 -8.060 4.213 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.330 -6.640 0.324 1.00 0.00 H new ATOM 0 HE1 PHE A 73 3.350 -5.890 4.746 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.352 -4.469 0.852 1.00 0.00 H new ATOM 0 HZ PHE A 73 3.368 -4.092 3.063 1.00 0.00 H new ATOM 1114 N GLU A 74 1.840 -9.384 -0.885 1.00 0.00 N ATOM 1115 CA GLU A 74 2.261 -9.038 -2.237 1.00 0.00 C ATOM 1116 C GLU A 74 1.161 -8.278 -2.972 1.00 0.00 C ATOM 1117 O GLU A 74 -0.008 -8.664 -2.932 1.00 0.00 O ATOM 1118 CB GLU A 74 2.632 -10.301 -3.018 1.00 0.00 C ATOM 1119 CG GLU A 74 4.099 -10.681 -2.899 1.00 0.00 C ATOM 1120 CD GLU A 74 4.335 -12.165 -3.105 1.00 0.00 C ATOM 1121 OE1 GLU A 74 3.442 -12.962 -2.750 1.00 0.00 O ATOM 1122 OE2 GLU A 74 5.412 -12.528 -3.622 1.00 0.00 O ATOM 0 H GLU A 74 0.833 -9.506 -0.774 1.00 0.00 H new ATOM 0 HA GLU A 74 3.137 -8.394 -2.163 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.020 -11.130 -2.663 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.388 -10.153 -4.070 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.677 -10.120 -3.633 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.467 -10.391 -1.915 1.00 0.00 H new ATOM 1129 N ILE A 75 1.543 -7.195 -3.640 1.00 0.00 N ATOM 1130 CA ILE A 75 0.590 -6.381 -4.384 1.00 0.00 C ATOM 1131 C ILE A 75 0.725 -6.610 -5.886 1.00 0.00 C ATOM 1132 O ILE A 75 1.645 -6.098 -6.523 1.00 0.00 O ATOM 1133 CB ILE A 75 0.778 -4.881 -4.086 1.00 0.00 C ATOM 1134 CG1 ILE A 75 0.777 -4.635 -2.576 1.00 0.00 C ATOM 1135 CG2 ILE A 75 -0.315 -4.066 -4.762 1.00 0.00 C ATOM 1136 CD1 ILE A 75 0.760 -3.169 -2.203 1.00 0.00 C ATOM 0 H ILE A 75 2.506 -6.861 -3.681 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.405 -6.686 -4.061 1.00 0.00 H new ATOM 0 HB ILE A 75 1.741 -4.564 -4.486 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.093 -5.123 -2.137 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.659 -5.103 -2.139 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.169 -3.008 -4.542 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.271 -4.222 -5.840 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.289 -4.383 -4.389 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.760 -3.070 -1.118 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.644 -2.679 -2.612 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.136 -2.700 -2.610 1.00 0.00 H new ATOM 1148 N LYS A 76 -0.200 -7.382 -6.446 1.00 0.00 N ATOM 1149 CA LYS A 76 -0.188 -7.678 -7.874 1.00 0.00 C ATOM 1150 C LYS A 76 -0.806 -6.535 -8.671 1.00 0.00 C ATOM 1151 O LYS A 76 -1.979 -6.203 -8.496 1.00 0.00 O ATOM 1152 CB LYS A 76 -0.947 -8.977 -8.152 1.00 0.00 C ATOM 1153 CG LYS A 76 -0.065 -10.214 -8.133 1.00 0.00 C ATOM 1154 CD LYS A 76 0.304 -10.614 -6.715 1.00 0.00 C ATOM 1155 CE LYS A 76 -0.693 -11.608 -6.139 1.00 0.00 C ATOM 1156 NZ LYS A 76 -0.634 -12.921 -6.839 1.00 0.00 N ATOM 0 H LYS A 76 -0.968 -7.814 -5.932 1.00 0.00 H new ATOM 0 HA LYS A 76 0.849 -7.796 -8.187 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.736 -9.093 -7.409 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.433 -8.903 -9.125 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.583 -11.039 -8.621 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.842 -10.024 -8.706 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.302 -11.052 -6.707 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.341 -9.726 -6.083 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.490 -11.753 -5.078 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.700 -11.199 -6.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.976 -13.669 -6.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.233 -12.889 -7.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.348 -13.123 -7.115 1.00 0.00 H new ATOM 1170 N THR A 77 -0.009 -5.934 -9.551 1.00 0.00 N ATOM 1171 CA THR A 77 -0.478 -4.828 -10.376 1.00 0.00 C ATOM 1172 C THR A 77 -0.149 -5.061 -11.846 1.00 0.00 C ATOM 1173 O THR A 77 0.805 -5.759 -12.190 1.00 0.00 O ATOM 1174 CB THR A 77 0.142 -3.491 -9.928 1.00 0.00 C ATOM 1175 OG1 THR A 77 1.571 -3.583 -9.947 1.00 0.00 O ATOM 1176 CG2 THR A 77 -0.329 -3.117 -8.531 1.00 0.00 C ATOM 0 H THR A 77 0.964 -6.195 -9.710 1.00 0.00 H new ATOM 0 HA THR A 77 -1.560 -4.778 -10.252 1.00 0.00 H new ATOM 0 HB THR A 77 -0.181 -2.715 -10.622 1.00 0.00 H new ATOM 0 HG1 THR A 77 1.868 -4.200 -9.246 1.00 0.00 H new ATOM 0 HG21 THR A 77 0.122 -2.169 -8.236 1.00 0.00 H new ATOM 0 HG22 THR A 77 -1.415 -3.019 -8.527 1.00 0.00 H new ATOM 0 HG23 THR A 77 -0.033 -3.894 -7.827 1.00 0.00 H new ATOM 1184 N PRO A 78 -0.955 -4.463 -12.736 1.00 0.00 N ATOM 1185 CA PRO A 78 -0.768 -4.590 -14.184 1.00 0.00 C ATOM 1186 C PRO A 78 0.477 -3.858 -14.674 1.00 0.00 C ATOM 1187 O PRO A 78 0.765 -3.838 -15.870 1.00 0.00 O ATOM 1188 CB PRO A 78 -2.030 -3.945 -14.762 1.00 0.00 C ATOM 1189 CG PRO A 78 -2.484 -2.991 -13.712 1.00 0.00 C ATOM 1190 CD PRO A 78 -2.112 -3.617 -12.396 1.00 0.00 C ATOM 0 HA PRO A 78 -0.625 -5.627 -14.487 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.818 -3.430 -15.699 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -2.794 -4.692 -14.975 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -2.003 -2.020 -13.832 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -3.559 -2.824 -13.775 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -1.854 -2.864 -11.651 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -2.932 -4.205 -11.984 1.00 0.00 H new ATOM 1198 N SER A 79 1.211 -3.260 -13.742 1.00 0.00 N ATOM 1199 CA SER A 79 2.424 -2.524 -14.080 1.00 0.00 C ATOM 1200 C SER A 79 3.664 -3.273 -13.602 1.00 0.00 C ATOM 1201 O SER A 79 4.588 -3.524 -14.376 1.00 0.00 O ATOM 1202 CB SER A 79 2.387 -1.126 -13.459 1.00 0.00 C ATOM 1203 OG SER A 79 1.572 -0.252 -14.220 1.00 0.00 O ATOM 0 H SER A 79 0.987 -3.270 -12.747 1.00 0.00 H new ATOM 0 HA SER A 79 2.473 -2.430 -15.165 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.007 -1.187 -12.439 1.00 0.00 H new ATOM 0 HB3 SER A 79 3.399 -0.725 -13.398 1.00 0.00 H new ATOM 0 HG SER A 79 1.563 0.634 -13.802 1.00 0.00 H new ATOM 1209 N ARG A 80 3.677 -3.626 -12.321 1.00 0.00 N ATOM 1210 CA ARG A 80 4.804 -4.345 -11.738 1.00 0.00 C ATOM 1211 C ARG A 80 4.429 -4.936 -10.382 1.00 0.00 C ATOM 1212 O ARG A 80 3.884 -4.246 -9.521 1.00 0.00 O ATOM 1213 CB ARG A 80 6.007 -3.412 -11.584 1.00 0.00 C ATOM 1214 CG ARG A 80 5.799 -2.314 -10.554 1.00 0.00 C ATOM 1215 CD ARG A 80 6.991 -1.373 -10.495 1.00 0.00 C ATOM 1216 NE ARG A 80 6.897 -0.306 -11.487 1.00 0.00 N ATOM 1217 CZ ARG A 80 6.226 0.824 -11.290 1.00 0.00 C ATOM 1218 NH1 ARG A 80 5.595 1.033 -10.143 1.00 0.00 N ATOM 1219 NH2 ARG A 80 6.186 1.748 -12.241 1.00 0.00 N ATOM 0 H ARG A 80 2.920 -3.426 -11.667 1.00 0.00 H new ATOM 0 HA ARG A 80 5.069 -5.161 -12.410 1.00 0.00 H new ATOM 0 HB2 ARG A 80 6.880 -4.002 -11.303 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.228 -2.956 -12.549 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.900 -1.749 -10.799 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.637 -2.760 -9.573 1.00 0.00 H new ATOM 0 HD2 ARG A 80 7.059 -0.936 -9.499 1.00 0.00 H new ATOM 0 HD3 ARG A 80 7.908 -1.939 -10.658 1.00 0.00 H new ATOM 0 HE ARG A 80 7.372 -0.435 -12.380 1.00 0.00 H new ATOM 0 HH11 ARG A 80 5.624 0.325 -9.409 1.00 0.00 H new ATOM 0 HH12 ARG A 80 5.081 1.901 -9.995 1.00 0.00 H new ATOM 0 HH21 ARG A 80 6.671 1.592 -13.125 1.00 0.00 H new ATOM 0 HH22 ARG A 80 5.671 2.615 -12.088 1.00 0.00 H new ATOM 1233 N VAL A 81 4.725 -6.219 -10.200 1.00 0.00 N ATOM 1234 CA VAL A 81 4.420 -6.904 -8.949 1.00 0.00 C ATOM 1235 C VAL A 81 5.375 -6.476 -7.841 1.00 0.00 C ATOM 1236 O VAL A 81 6.594 -6.553 -7.995 1.00 0.00 O ATOM 1237 CB VAL A 81 4.494 -8.433 -9.114 1.00 0.00 C ATOM 1238 CG1 VAL A 81 4.014 -9.131 -7.850 1.00 0.00 C ATOM 1239 CG2 VAL A 81 3.681 -8.879 -10.320 1.00 0.00 C ATOM 0 H VAL A 81 5.176 -6.805 -10.903 1.00 0.00 H new ATOM 0 HA VAL A 81 3.403 -6.625 -8.675 1.00 0.00 H new ATOM 0 HB VAL A 81 5.534 -8.712 -9.282 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.074 -10.211 -7.986 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.643 -8.836 -7.010 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.981 -8.847 -7.647 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.745 -9.962 -10.421 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.639 -8.588 -10.184 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.076 -8.407 -11.220 1.00 0.00 H new ATOM 1249 N ILE A 82 4.814 -6.026 -6.724 1.00 0.00 N ATOM 1250 CA ILE A 82 5.616 -5.588 -5.589 1.00 0.00 C ATOM 1251 C ILE A 82 5.515 -6.574 -4.430 1.00 0.00 C ATOM 1252 O ILE A 82 4.462 -7.168 -4.196 1.00 0.00 O ATOM 1253 CB ILE A 82 5.185 -4.192 -5.100 1.00 0.00 C ATOM 1254 CG1 ILE A 82 5.315 -3.169 -6.229 1.00 0.00 C ATOM 1255 CG2 ILE A 82 6.017 -3.772 -3.897 1.00 0.00 C ATOM 1256 CD1 ILE A 82 6.731 -3.006 -6.736 1.00 0.00 C ATOM 0 H ILE A 82 3.807 -5.955 -6.581 1.00 0.00 H new ATOM 0 HA ILE A 82 6.649 -5.541 -5.933 1.00 0.00 H new ATOM 0 HB ILE A 82 4.139 -4.237 -4.796 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.674 -3.470 -7.057 1.00 0.00 H new ATOM 0 HG13 ILE A 82 4.950 -2.204 -5.878 1.00 0.00 H new ATOM 0 HG21 ILE A 82 5.701 -2.784 -3.563 1.00 0.00 H new ATOM 0 HG22 ILE A 82 5.877 -4.490 -3.089 1.00 0.00 H new ATOM 0 HG23 ILE A 82 7.070 -3.741 -4.176 1.00 0.00 H new ATOM 0 HD11 ILE A 82 6.748 -2.265 -7.535 1.00 0.00 H new ATOM 0 HD12 ILE A 82 7.374 -2.675 -5.920 1.00 0.00 H new ATOM 0 HD13 ILE A 82 7.093 -3.961 -7.118 1.00 0.00 H new ATOM 1268 N THR A 83 6.617 -6.743 -3.706 1.00 0.00 N ATOM 1269 CA THR A 83 6.653 -7.656 -2.571 1.00 0.00 C ATOM 1270 C THR A 83 7.081 -6.935 -1.298 1.00 0.00 C ATOM 1271 O THR A 83 8.241 -6.548 -1.152 1.00 0.00 O ATOM 1272 CB THR A 83 7.613 -8.834 -2.828 1.00 0.00 C ATOM 1273 OG1 THR A 83 7.374 -9.385 -4.128 1.00 0.00 O ATOM 1274 CG2 THR A 83 7.437 -9.915 -1.772 1.00 0.00 C ATOM 0 H THR A 83 7.497 -6.259 -3.886 1.00 0.00 H new ATOM 0 HA THR A 83 5.642 -8.042 -2.444 1.00 0.00 H new ATOM 0 HB THR A 83 8.636 -8.460 -2.775 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.989 -10.132 -4.285 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.125 -10.736 -1.974 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.648 -9.499 -0.787 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.412 -10.285 -1.798 1.00 0.00 H new ATOM 1282 N LEU A 84 6.139 -6.758 -0.379 1.00 0.00 N ATOM 1283 CA LEU A 84 6.419 -6.083 0.884 1.00 0.00 C ATOM 1284 C LEU A 84 6.013 -6.954 2.069 1.00 0.00 C ATOM 1285 O LEU A 84 5.246 -7.906 1.920 1.00 0.00 O ATOM 1286 CB LEU A 84 5.682 -4.744 0.944 1.00 0.00 C ATOM 1287 CG LEU A 84 5.695 -3.913 -0.339 1.00 0.00 C ATOM 1288 CD1 LEU A 84 4.912 -2.624 -0.148 1.00 0.00 C ATOM 1289 CD2 LEU A 84 7.125 -3.613 -0.766 1.00 0.00 C ATOM 0 H LEU A 84 5.174 -7.072 -0.484 1.00 0.00 H new ATOM 0 HA LEU A 84 7.492 -5.902 0.941 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.645 -4.935 1.219 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.119 -4.147 1.744 1.00 0.00 H new ATOM 0 HG LEU A 84 5.215 -4.491 -1.129 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.932 -2.046 -1.072 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.880 -2.860 0.110 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.362 -2.041 0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.115 -3.021 -1.681 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.631 -3.055 0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.655 -4.548 -0.945 1.00 0.00 H new ATOM 1301 N LYS A 85 6.530 -6.621 3.246 1.00 0.00 N ATOM 1302 CA LYS A 85 6.220 -7.369 4.458 1.00 0.00 C ATOM 1303 C LYS A 85 5.974 -6.426 5.632 1.00 0.00 C ATOM 1304 O LYS A 85 6.463 -5.297 5.646 1.00 0.00 O ATOM 1305 CB LYS A 85 7.361 -8.332 4.795 1.00 0.00 C ATOM 1306 CG LYS A 85 8.671 -7.634 5.116 1.00 0.00 C ATOM 1307 CD LYS A 85 9.818 -8.625 5.227 1.00 0.00 C ATOM 1308 CE LYS A 85 9.901 -9.227 6.621 1.00 0.00 C ATOM 1309 NZ LYS A 85 10.717 -8.387 7.540 1.00 0.00 N ATOM 0 H LYS A 85 7.167 -5.837 3.387 1.00 0.00 H new ATOM 0 HA LYS A 85 5.310 -7.942 4.278 1.00 0.00 H new ATOM 0 HB2 LYS A 85 7.068 -8.946 5.647 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.516 -9.008 3.954 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.895 -6.903 4.339 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.572 -7.084 6.052 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.686 -9.420 4.493 1.00 0.00 H new ATOM 0 HD3 LYS A 85 10.757 -8.125 4.989 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.896 -9.340 7.028 1.00 0.00 H new ATOM 0 HE3 LYS A 85 10.334 -10.225 6.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.749 -8.831 8.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 11.683 -8.300 7.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 10.289 -7.442 7.618 1.00 0.00 H new ATOM 1323 N ALA A 86 5.213 -6.898 6.615 1.00 0.00 N ATOM 1324 CA ALA A 86 4.906 -6.098 7.794 1.00 0.00 C ATOM 1325 C ALA A 86 5.608 -6.650 9.030 1.00 0.00 C ATOM 1326 O ALA A 86 6.305 -7.661 8.960 1.00 0.00 O ATOM 1327 CB ALA A 86 3.402 -6.044 8.018 1.00 0.00 C ATOM 0 H ALA A 86 4.798 -7.830 6.618 1.00 0.00 H new ATOM 0 HA ALA A 86 5.273 -5.086 7.622 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.187 -5.443 8.902 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.921 -5.596 7.149 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.019 -7.054 8.164 1.00 0.00 H new ATOM 1333 N ALA A 87 5.419 -5.978 10.161 1.00 0.00 N ATOM 1334 CA ALA A 87 6.033 -6.403 11.413 1.00 0.00 C ATOM 1335 C ALA A 87 5.631 -7.831 11.765 1.00 0.00 C ATOM 1336 O ALA A 87 6.475 -8.724 11.842 1.00 0.00 O ATOM 1337 CB ALA A 87 5.650 -5.452 12.538 1.00 0.00 C ATOM 0 H ALA A 87 4.846 -5.138 10.236 1.00 0.00 H new ATOM 0 HA ALA A 87 7.115 -6.380 11.285 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.115 -5.781 13.467 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.993 -4.446 12.297 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.567 -5.447 12.657 1.00 0.00 H new ATOM 1343 N THR A 88 4.335 -8.041 11.979 1.00 0.00 N ATOM 1344 CA THR A 88 3.822 -9.360 12.325 1.00 0.00 C ATOM 1345 C THR A 88 2.625 -9.729 11.455 1.00 0.00 C ATOM 1346 O THR A 88 2.191 -8.944 10.612 1.00 0.00 O ATOM 1347 CB THR A 88 3.406 -9.431 13.806 1.00 0.00 C ATOM 1348 OG1 THR A 88 2.482 -8.378 14.107 1.00 0.00 O ATOM 1349 CG2 THR A 88 4.621 -9.320 14.715 1.00 0.00 C ATOM 0 H THR A 88 3.622 -7.314 11.919 1.00 0.00 H new ATOM 0 HA THR A 88 4.630 -10.070 12.148 1.00 0.00 H new ATOM 0 HB THR A 88 2.928 -10.395 13.980 1.00 0.00 H new ATOM 0 HG1 THR A 88 2.221 -8.431 15.050 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.303 -9.373 15.756 1.00 0.00 H new ATOM 0 HG22 THR A 88 5.309 -10.139 14.504 1.00 0.00 H new ATOM 0 HG23 THR A 88 5.123 -8.369 14.537 1.00 0.00 H new ATOM 1357 N LYS A 89 2.095 -10.929 11.666 1.00 0.00 N ATOM 1358 CA LYS A 89 0.946 -11.403 10.902 1.00 0.00 C ATOM 1359 C LYS A 89 -0.239 -10.457 11.059 1.00 0.00 C ATOM 1360 O LYS A 89 -0.972 -10.202 10.104 1.00 0.00 O ATOM 1361 CB LYS A 89 0.553 -12.811 11.356 1.00 0.00 C ATOM 1362 CG LYS A 89 -0.764 -13.292 10.771 1.00 0.00 C ATOM 1363 CD LYS A 89 -0.556 -14.015 9.450 1.00 0.00 C ATOM 1364 CE LYS A 89 -1.830 -14.703 8.985 1.00 0.00 C ATOM 1365 NZ LYS A 89 -1.596 -15.547 7.781 1.00 0.00 N ATOM 0 H LYS A 89 2.442 -11.591 12.360 1.00 0.00 H new ATOM 0 HA LYS A 89 1.227 -11.432 9.849 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.342 -13.508 11.075 1.00 0.00 H new ATOM 0 HB3 LYS A 89 0.486 -12.828 12.444 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -1.255 -13.959 11.479 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -1.429 -12.441 10.621 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.228 -13.303 8.692 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.238 -14.753 9.559 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -2.224 -15.322 9.791 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -2.587 -13.952 8.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -2.411 -16.177 7.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -1.476 -14.937 6.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -0.738 -16.118 7.919 1.00 0.00 H new ATOM 1379 N GLN A 90 -0.421 -9.938 12.270 1.00 0.00 N ATOM 1380 CA GLN A 90 -1.517 -9.019 12.550 1.00 0.00 C ATOM 1381 C GLN A 90 -1.281 -7.670 11.880 1.00 0.00 C ATOM 1382 O GLN A 90 -2.228 -6.960 11.541 1.00 0.00 O ATOM 1383 CB GLN A 90 -1.680 -8.831 14.060 1.00 0.00 C ATOM 1384 CG GLN A 90 -2.630 -9.830 14.698 1.00 0.00 C ATOM 1385 CD GLN A 90 -1.923 -11.080 15.185 1.00 0.00 C ATOM 1386 OE1 GLN A 90 -2.189 -12.183 14.707 1.00 0.00 O ATOM 1387 NE2 GLN A 90 -1.016 -10.913 16.140 1.00 0.00 N ATOM 0 H GLN A 90 0.177 -10.139 13.072 1.00 0.00 H new ATOM 0 HA GLN A 90 -2.432 -9.450 12.144 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.703 -8.916 14.536 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -2.043 -7.822 14.255 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -3.140 -9.356 15.536 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -3.397 -10.109 13.975 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.828 -9.980 16.507 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -0.507 -11.718 16.507 1.00 0.00 H new ATOM 1396 N ALA A 91 -0.013 -7.321 11.692 1.00 0.00 N ATOM 1397 CA ALA A 91 0.347 -6.058 11.061 1.00 0.00 C ATOM 1398 C ALA A 91 -0.189 -5.984 9.636 1.00 0.00 C ATOM 1399 O ALA A 91 -1.038 -5.149 9.324 1.00 0.00 O ATOM 1400 CB ALA A 91 1.858 -5.875 11.069 1.00 0.00 C ATOM 0 H ALA A 91 0.783 -7.896 11.968 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.108 -5.251 11.635 1.00 0.00 H new ATOM 0 HB1 ALA A 91 2.112 -4.927 10.594 1.00 0.00 H new ATOM 0 HB2 ALA A 91 2.219 -5.874 12.097 1.00 0.00 H new ATOM 0 HB3 ALA A 91 2.326 -6.692 10.521 1.00 0.00 H new ATOM 1406 N MET A 92 0.313 -6.862 8.773 1.00 0.00 N ATOM 1407 CA MET A 92 -0.117 -6.896 7.380 1.00 0.00 C ATOM 1408 C MET A 92 -1.639 -6.914 7.281 1.00 0.00 C ATOM 1409 O MET A 92 -2.227 -6.203 6.465 1.00 0.00 O ATOM 1410 CB MET A 92 0.466 -8.121 6.674 1.00 0.00 C ATOM 1411 CG MET A 92 0.095 -9.438 7.335 1.00 0.00 C ATOM 1412 SD MET A 92 0.630 -10.871 6.379 1.00 0.00 S ATOM 1413 CE MET A 92 -0.895 -11.805 6.286 1.00 0.00 C ATOM 0 H MET A 92 1.018 -7.559 9.014 1.00 0.00 H new ATOM 0 HA MET A 92 0.251 -5.994 6.890 1.00 0.00 H new ATOM 0 HB2 MET A 92 0.120 -8.133 5.640 1.00 0.00 H new ATOM 0 HB3 MET A 92 1.552 -8.031 6.646 1.00 0.00 H new ATOM 0 HG2 MET A 92 0.543 -9.481 8.328 1.00 0.00 H new ATOM 0 HG3 MET A 92 -0.986 -9.480 7.471 1.00 0.00 H new ATOM 0 HE1 MET A 92 -0.690 -12.797 5.882 1.00 0.00 H new ATOM 0 HE2 MET A 92 -1.324 -11.901 7.283 1.00 0.00 H new ATOM 0 HE3 MET A 92 -1.600 -11.287 5.636 1.00 0.00 H new ATOM 1423 N LEU A 93 -2.272 -7.732 8.116 1.00 0.00 N ATOM 1424 CA LEU A 93 -3.727 -7.843 8.122 1.00 0.00 C ATOM 1425 C LEU A 93 -4.378 -6.464 8.100 1.00 0.00 C ATOM 1426 O LEU A 93 -5.407 -6.263 7.455 1.00 0.00 O ATOM 1427 CB LEU A 93 -4.193 -8.621 9.354 1.00 0.00 C ATOM 1428 CG LEU A 93 -4.025 -10.139 9.292 1.00 0.00 C ATOM 1429 CD1 LEU A 93 -4.296 -10.762 10.653 1.00 0.00 C ATOM 1430 CD2 LEU A 93 -4.945 -10.736 8.237 1.00 0.00 C ATOM 0 H LEU A 93 -1.801 -8.328 8.797 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.030 -8.381 7.224 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.647 -8.250 10.221 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.247 -8.399 9.522 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.995 -10.360 9.013 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.172 -11.843 10.590 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.595 -10.358 11.384 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -5.316 -10.532 10.962 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.811 -11.817 8.207 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.981 -10.505 8.485 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.703 -10.314 7.262 1.00 0.00 H new ATOM 1442 N TYR A 94 -3.771 -5.517 8.807 1.00 0.00 N ATOM 1443 CA TYR A 94 -4.292 -4.157 8.870 1.00 0.00 C ATOM 1444 C TYR A 94 -4.091 -3.435 7.541 1.00 0.00 C ATOM 1445 O TYR A 94 -4.945 -2.664 7.105 1.00 0.00 O ATOM 1446 CB TYR A 94 -3.609 -3.378 9.995 1.00 0.00 C ATOM 1447 CG TYR A 94 -3.781 -1.880 9.885 1.00 0.00 C ATOM 1448 CD1 TYR A 94 -5.038 -1.296 9.983 1.00 0.00 C ATOM 1449 CD2 TYR A 94 -2.686 -1.048 9.684 1.00 0.00 C ATOM 1450 CE1 TYR A 94 -5.199 0.073 9.882 1.00 0.00 C ATOM 1451 CE2 TYR A 94 -2.838 0.321 9.584 1.00 0.00 C ATOM 1452 CZ TYR A 94 -4.096 0.877 9.683 1.00 0.00 C ATOM 1453 OH TYR A 94 -4.253 2.240 9.584 1.00 0.00 O ATOM 0 H TYR A 94 -2.917 -5.667 9.345 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.361 -4.214 9.074 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.010 -3.712 10.952 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.545 -3.614 9.995 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.904 -1.922 10.141 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -1.699 -1.480 9.605 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -6.183 0.511 9.958 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -1.976 0.953 9.429 1.00 0.00 H new ATOM 0 HH TYR A 94 -3.379 2.661 9.446 1.00 0.00 H new ATOM 1463 N TRP A 95 -2.955 -3.692 6.902 1.00 0.00 N ATOM 1464 CA TRP A 95 -2.640 -3.068 5.622 1.00 0.00 C ATOM 1465 C TRP A 95 -3.517 -3.633 4.511 1.00 0.00 C ATOM 1466 O TRP A 95 -4.170 -2.885 3.781 1.00 0.00 O ATOM 1467 CB TRP A 95 -1.164 -3.276 5.280 1.00 0.00 C ATOM 1468 CG TRP A 95 -0.275 -2.186 5.797 1.00 0.00 C ATOM 1469 CD1 TRP A 95 0.403 -2.175 6.982 1.00 0.00 C ATOM 1470 CD2 TRP A 95 0.031 -0.948 5.146 1.00 0.00 C ATOM 1471 NE1 TRP A 95 1.112 -1.004 7.107 1.00 0.00 N ATOM 1472 CE2 TRP A 95 0.901 -0.235 5.994 1.00 0.00 C ATOM 1473 CE3 TRP A 95 -0.344 -0.373 3.929 1.00 0.00 C ATOM 1474 CZ2 TRP A 95 1.399 1.022 5.662 1.00 0.00 C ATOM 1475 CZ3 TRP A 95 0.151 0.875 3.601 1.00 0.00 C ATOM 1476 CH2 TRP A 95 1.016 1.561 4.464 1.00 0.00 C ATOM 0 H TRP A 95 -2.237 -4.328 7.249 1.00 0.00 H new ATOM 0 HA TRP A 95 -2.839 -2.000 5.708 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.834 -4.230 5.692 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -1.055 -3.341 4.197 1.00 0.00 H new ATOM 0 HD1 TRP A 95 0.385 -2.969 7.713 1.00 0.00 H new ATOM 0 HE1 TRP A 95 1.700 -0.749 7.900 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -1.009 -0.895 3.257 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 2.064 1.553 6.327 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -0.134 1.329 2.663 1.00 0.00 H new ATOM 0 HH2 TRP A 95 1.388 2.534 4.178 1.00 0.00 H new ATOM 1487 N LEU A 96 -3.529 -4.955 4.387 1.00 0.00 N ATOM 1488 CA LEU A 96 -4.328 -5.620 3.363 1.00 0.00 C ATOM 1489 C LEU A 96 -5.799 -5.237 3.485 1.00 0.00 C ATOM 1490 O LEU A 96 -6.474 -5.002 2.484 1.00 0.00 O ATOM 1491 CB LEU A 96 -4.174 -7.138 3.474 1.00 0.00 C ATOM 1492 CG LEU A 96 -2.744 -7.658 3.634 1.00 0.00 C ATOM 1493 CD1 LEU A 96 -2.744 -9.164 3.845 1.00 0.00 C ATOM 1494 CD2 LEU A 96 -1.904 -7.287 2.421 1.00 0.00 C ATOM 0 H LEU A 96 -2.995 -5.588 4.982 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.967 -5.294 2.388 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.762 -7.481 4.325 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.607 -7.593 2.583 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.303 -7.189 4.514 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.718 -9.516 3.957 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.310 -9.405 4.744 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.203 -9.652 2.985 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.890 -7.665 2.551 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.343 -7.728 1.526 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.877 -6.202 2.315 1.00 0.00 H new ATOM 1506 N GLN A 97 -6.288 -5.175 4.720 1.00 0.00 N ATOM 1507 CA GLN A 97 -7.679 -4.818 4.973 1.00 0.00 C ATOM 1508 C GLN A 97 -7.945 -3.364 4.598 1.00 0.00 C ATOM 1509 O GLN A 97 -8.751 -3.079 3.712 1.00 0.00 O ATOM 1510 CB GLN A 97 -8.028 -5.050 6.444 1.00 0.00 C ATOM 1511 CG GLN A 97 -9.441 -4.624 6.809 1.00 0.00 C ATOM 1512 CD GLN A 97 -10.463 -5.714 6.552 1.00 0.00 C ATOM 1513 OE1 GLN A 97 -10.132 -6.784 6.041 1.00 0.00 O ATOM 1514 NE2 GLN A 97 -11.715 -5.447 6.907 1.00 0.00 N ATOM 0 H GLN A 97 -5.742 -5.367 5.560 1.00 0.00 H new ATOM 0 HA GLN A 97 -8.310 -5.455 4.353 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -7.905 -6.108 6.675 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -7.320 -4.503 7.067 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -9.471 -4.343 7.862 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -9.709 -3.737 6.235 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -11.945 -4.547 7.328 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -12.446 -6.142 6.759 1.00 0.00 H new ATOM 1523 N GLN A 98 -7.263 -2.448 5.279 1.00 0.00 N ATOM 1524 CA GLN A 98 -7.428 -1.023 5.017 1.00 0.00 C ATOM 1525 C GLN A 98 -7.171 -0.706 3.548 1.00 0.00 C ATOM 1526 O GLN A 98 -8.045 -0.188 2.852 1.00 0.00 O ATOM 1527 CB GLN A 98 -6.480 -0.209 5.900 1.00 0.00 C ATOM 1528 CG GLN A 98 -7.024 0.056 7.294 1.00 0.00 C ATOM 1529 CD GLN A 98 -8.436 0.608 7.275 1.00 0.00 C ATOM 1530 OE1 GLN A 98 -8.639 1.823 7.291 1.00 0.00 O ATOM 1531 NE2 GLN A 98 -9.420 -0.282 7.240 1.00 0.00 N ATOM 0 H GLN A 98 -6.592 -2.667 6.015 1.00 0.00 H new ATOM 0 HA GLN A 98 -8.457 -0.752 5.253 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -5.531 -0.738 5.984 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -6.272 0.744 5.413 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -7.008 -0.870 7.868 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -6.370 0.761 7.807 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -9.206 -1.279 7.228 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -10.391 0.031 7.225 1.00 0.00 H new ATOM 1540 N LEU A 99 -5.968 -1.021 3.081 1.00 0.00 N ATOM 1541 CA LEU A 99 -5.595 -0.769 1.693 1.00 0.00 C ATOM 1542 C LEU A 99 -6.800 -0.921 0.770 1.00 0.00 C ATOM 1543 O LEU A 99 -6.970 -0.152 -0.175 1.00 0.00 O ATOM 1544 CB LEU A 99 -4.484 -1.727 1.261 1.00 0.00 C ATOM 1545 CG LEU A 99 -3.070 -1.365 1.719 1.00 0.00 C ATOM 1546 CD1 LEU A 99 -2.095 -2.478 1.371 1.00 0.00 C ATOM 1547 CD2 LEU A 99 -2.627 -0.051 1.092 1.00 0.00 C ATOM 0 H LEU A 99 -5.234 -1.452 3.643 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.231 0.256 1.620 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -4.723 -2.722 1.637 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.487 -1.788 0.173 1.00 0.00 H new ATOM 0 HG LEU A 99 -3.079 -1.244 2.802 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.094 -2.203 1.704 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.402 -3.399 1.867 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.088 -2.632 0.292 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.619 0.191 1.429 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.634 -0.145 0.006 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.310 0.744 1.391 1.00 0.00 H new ATOM 1559 N GLN A 100 -7.634 -1.917 1.053 1.00 0.00 N ATOM 1560 CA GLN A 100 -8.824 -2.168 0.249 1.00 0.00 C ATOM 1561 C GLN A 100 -9.844 -1.048 0.422 1.00 0.00 C ATOM 1562 O GLN A 100 -10.354 -0.502 -0.557 1.00 0.00 O ATOM 1563 CB GLN A 100 -9.451 -3.509 0.632 1.00 0.00 C ATOM 1564 CG GLN A 100 -8.924 -4.682 -0.178 1.00 0.00 C ATOM 1565 CD GLN A 100 -9.733 -5.947 0.030 1.00 0.00 C ATOM 1566 OE1 GLN A 100 -10.745 -6.167 -0.636 1.00 0.00 O ATOM 1567 NE2 GLN A 100 -9.290 -6.786 0.959 1.00 0.00 N ATOM 0 H GLN A 100 -7.507 -2.563 1.832 1.00 0.00 H new ATOM 0 HA GLN A 100 -8.523 -2.202 -0.798 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -9.267 -3.697 1.690 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -10.531 -3.445 0.503 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -8.932 -4.420 -1.236 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -7.886 -4.870 0.096 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -8.446 -6.563 1.487 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -9.793 -7.654 1.144 1.00 0.00 H new ATOM 1576 N MET A 101 -10.138 -0.710 1.673 1.00 0.00 N ATOM 1577 CA MET A 101 -11.098 0.347 1.974 1.00 0.00 C ATOM 1578 C MET A 101 -11.013 1.468 0.943 1.00 0.00 C ATOM 1579 O MET A 101 -12.019 1.858 0.350 1.00 0.00 O ATOM 1580 CB MET A 101 -10.849 0.907 3.375 1.00 0.00 C ATOM 1581 CG MET A 101 -11.519 0.103 4.478 1.00 0.00 C ATOM 1582 SD MET A 101 -11.002 -1.624 4.491 1.00 0.00 S ATOM 1583 CE MET A 101 -12.401 -2.402 3.687 1.00 0.00 C ATOM 0 H MET A 101 -9.726 -1.152 2.495 1.00 0.00 H new ATOM 0 HA MET A 101 -12.099 -0.083 1.935 1.00 0.00 H new ATOM 0 HB2 MET A 101 -9.775 0.938 3.560 1.00 0.00 H new ATOM 0 HB3 MET A 101 -11.209 1.935 3.416 1.00 0.00 H new ATOM 0 HG2 MET A 101 -11.288 0.555 5.443 1.00 0.00 H new ATOM 0 HG3 MET A 101 -12.601 0.153 4.353 1.00 0.00 H new ATOM 0 HE1 MET A 101 -12.423 -3.462 3.941 1.00 0.00 H new ATOM 0 HE2 MET A 101 -13.323 -1.929 4.023 1.00 0.00 H new ATOM 0 HE3 MET A 101 -12.309 -2.290 2.607 1.00 0.00 H new ATOM 1593 N LYS A 102 -9.806 1.983 0.733 1.00 0.00 N ATOM 1594 CA LYS A 102 -9.589 3.059 -0.226 1.00 0.00 C ATOM 1595 C LYS A 102 -10.087 2.660 -1.612 1.00 0.00 C ATOM 1596 O LYS A 102 -10.929 3.341 -2.198 1.00 0.00 O ATOM 1597 CB LYS A 102 -8.103 3.420 -0.291 1.00 0.00 C ATOM 1598 CG LYS A 102 -7.491 3.723 1.065 1.00 0.00 C ATOM 1599 CD LYS A 102 -8.017 5.029 1.635 1.00 0.00 C ATOM 1600 CE LYS A 102 -7.339 5.376 2.952 1.00 0.00 C ATOM 1601 NZ LYS A 102 -7.461 6.825 3.274 1.00 0.00 N ATOM 0 H LYS A 102 -8.963 1.672 1.215 1.00 0.00 H new ATOM 0 HA LYS A 102 -10.154 3.929 0.108 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -7.557 2.596 -0.751 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -7.976 4.287 -0.939 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -7.712 2.909 1.755 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -6.406 3.776 0.972 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -7.853 5.833 0.917 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -9.094 4.953 1.788 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -7.782 4.787 3.755 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -6.285 5.103 2.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -6.986 7.021 4.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -7.016 7.387 2.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -8.466 7.081 3.348 1.00 0.00 H new ATOM 1615 N ARG A 103 -9.562 1.554 -2.129 1.00 0.00 N ATOM 1616 CA ARG A 103 -9.954 1.066 -3.446 1.00 0.00 C ATOM 1617 C ARG A 103 -11.426 0.663 -3.460 1.00 0.00 C ATOM 1618 O ARG A 103 -12.241 1.279 -4.147 1.00 0.00 O ATOM 1619 CB ARG A 103 -9.085 -0.126 -3.851 1.00 0.00 C ATOM 1620 CG ARG A 103 -9.577 -0.843 -5.098 1.00 0.00 C ATOM 1621 CD ARG A 103 -8.853 -2.164 -5.303 1.00 0.00 C ATOM 1622 NE ARG A 103 -9.682 -3.139 -6.006 1.00 0.00 N ATOM 1623 CZ ARG A 103 -10.562 -3.928 -5.400 1.00 0.00 C ATOM 1624 NH1 ARG A 103 -10.726 -3.858 -4.086 1.00 0.00 N ATOM 1625 NH2 ARG A 103 -11.280 -4.791 -6.108 1.00 0.00 N ATOM 0 H ARG A 103 -8.864 0.979 -1.656 1.00 0.00 H new ATOM 0 HA ARG A 103 -9.809 1.874 -4.163 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -8.065 0.219 -4.019 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -9.049 -0.836 -3.025 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -10.649 -1.023 -5.016 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -9.426 -0.205 -5.969 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -7.937 -1.992 -5.869 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -8.558 -2.570 -4.335 1.00 0.00 H new ATOM 0 HE ARG A 103 -9.580 -3.219 -7.018 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -10.176 -3.197 -3.538 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -11.403 -4.465 -3.623 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -11.156 -4.849 -7.119 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -11.955 -5.396 -5.641 1.00 0.00 H new ATOM 1639 N TRP A 104 -11.757 -0.373 -2.699 1.00 0.00 N ATOM 1640 CA TRP A 104 -13.131 -0.859 -2.625 1.00 0.00 C ATOM 1641 C TRP A 104 -14.119 0.303 -2.615 1.00 0.00 C ATOM 1642 O TRP A 104 -15.173 0.237 -3.246 1.00 0.00 O ATOM 1643 CB TRP A 104 -13.323 -1.719 -1.375 1.00 0.00 C ATOM 1644 CG TRP A 104 -14.738 -1.742 -0.882 1.00 0.00 C ATOM 1645 CD1 TRP A 104 -15.719 -2.618 -1.247 1.00 0.00 C ATOM 1646 CD2 TRP A 104 -15.330 -0.846 0.066 1.00 0.00 C ATOM 1647 NE1 TRP A 104 -16.885 -2.322 -0.583 1.00 0.00 N ATOM 1648 CE2 TRP A 104 -16.672 -1.240 0.229 1.00 0.00 C ATOM 1649 CE3 TRP A 104 -14.855 0.248 0.795 1.00 0.00 C ATOM 1650 CZ2 TRP A 104 -17.543 -0.576 1.089 1.00 0.00 C ATOM 1651 CZ3 TRP A 104 -15.721 0.906 1.648 1.00 0.00 C ATOM 1652 CH2 TRP A 104 -17.052 0.492 1.790 1.00 0.00 C ATOM 0 H TRP A 104 -11.094 -0.893 -2.124 1.00 0.00 H new ATOM 0 HA TRP A 104 -13.323 -1.468 -3.509 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -13.005 -2.739 -1.592 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -12.675 -1.345 -0.582 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -15.597 -3.425 -1.954 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -17.766 -2.826 -0.679 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -13.830 0.573 0.694 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -18.570 -0.893 1.199 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -15.366 1.754 2.215 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -17.703 1.026 2.466 1.00 0.00 H new ATOM 1663 N GLU A 105 -13.770 1.365 -1.895 1.00 0.00 N ATOM 1664 CA GLU A 105 -14.628 2.540 -1.804 1.00 0.00 C ATOM 1665 C GLU A 105 -15.002 3.050 -3.193 1.00 0.00 C ATOM 1666 O GLU A 105 -16.181 3.163 -3.528 1.00 0.00 O ATOM 1667 CB GLU A 105 -13.930 3.648 -1.012 1.00 0.00 C ATOM 1668 CG GLU A 105 -14.194 3.587 0.483 1.00 0.00 C ATOM 1669 CD GLU A 105 -15.503 4.246 0.871 1.00 0.00 C ATOM 1670 OE1 GLU A 105 -16.432 4.259 0.037 1.00 0.00 O ATOM 1671 OE2 GLU A 105 -15.598 4.750 2.010 1.00 0.00 O ATOM 0 H GLU A 105 -12.900 1.435 -1.367 1.00 0.00 H new ATOM 0 HA GLU A 105 -15.542 2.252 -1.284 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -12.856 3.585 -1.185 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -14.258 4.616 -1.391 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -14.207 2.545 0.804 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -13.375 4.074 1.013 1.00 0.00 H new ATOM 1678 N PHE A 106 -13.989 3.357 -3.996 1.00 0.00 N ATOM 1679 CA PHE A 106 -14.210 3.857 -5.348 1.00 0.00 C ATOM 1680 C PHE A 106 -15.163 2.945 -6.116 1.00 0.00 C ATOM 1681 O PHE A 106 -16.041 3.414 -6.841 1.00 0.00 O ATOM 1682 CB PHE A 106 -12.881 3.970 -6.097 1.00 0.00 C ATOM 1683 CG PHE A 106 -13.039 4.088 -7.586 1.00 0.00 C ATOM 1684 CD1 PHE A 106 -13.718 5.160 -8.141 1.00 0.00 C ATOM 1685 CD2 PHE A 106 -12.510 3.125 -8.430 1.00 0.00 C ATOM 1686 CE1 PHE A 106 -13.865 5.272 -9.511 1.00 0.00 C ATOM 1687 CE2 PHE A 106 -12.654 3.231 -9.801 1.00 0.00 C ATOM 1688 CZ PHE A 106 -13.333 4.305 -10.342 1.00 0.00 C ATOM 0 H PHE A 106 -13.007 3.268 -3.734 1.00 0.00 H new ATOM 0 HA PHE A 106 -14.662 4.846 -5.273 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -12.338 4.840 -5.727 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -12.271 3.095 -5.873 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -14.138 5.918 -7.496 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -11.979 2.282 -8.012 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -14.395 6.114 -9.931 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -12.236 2.474 -10.448 1.00 0.00 H new ATOM 0 HZ PHE A 106 -13.448 4.389 -11.413 1.00 0.00 H new ATOM 1698 N HIS A 107 -14.982 1.638 -5.952 1.00 0.00 N ATOM 1699 CA HIS A 107 -15.825 0.659 -6.629 1.00 0.00 C ATOM 1700 C HIS A 107 -17.268 0.756 -6.144 1.00 0.00 C ATOM 1701 O HIS A 107 -18.174 1.060 -6.919 1.00 0.00 O ATOM 1702 CB HIS A 107 -15.291 -0.754 -6.395 1.00 0.00 C ATOM 1703 CG HIS A 107 -13.939 -0.990 -6.995 1.00 0.00 C ATOM 1704 ND1 HIS A 107 -13.697 -0.935 -8.351 1.00 0.00 N ATOM 1705 CD2 HIS A 107 -12.751 -1.282 -6.414 1.00 0.00 C ATOM 1706 CE1 HIS A 107 -12.420 -1.184 -8.579 1.00 0.00 C ATOM 1707 NE2 HIS A 107 -11.824 -1.398 -7.420 1.00 0.00 N ATOM 0 H HIS A 107 -14.260 1.233 -5.357 1.00 0.00 H new ATOM 0 HA HIS A 107 -15.804 0.876 -7.697 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -15.241 -0.942 -5.322 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -15.995 -1.474 -6.812 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -14.395 -0.733 -9.067 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -12.567 -1.401 -5.356 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -11.944 -1.208 -9.548 1.00 0.00 H new ATOM 1716 N ASN A 108 -17.474 0.496 -4.857 1.00 0.00 N ATOM 1717 CA ASN A 108 -18.808 0.553 -4.270 1.00 0.00 C ATOM 1718 C ASN A 108 -19.497 1.870 -4.613 1.00 0.00 C ATOM 1719 O ASN A 108 -20.675 1.891 -4.971 1.00 0.00 O ATOM 1720 CB ASN A 108 -18.726 0.388 -2.751 1.00 0.00 C ATOM 1721 CG ASN A 108 -18.627 -1.066 -2.332 1.00 0.00 C ATOM 1722 OD1 ASN A 108 -19.401 -1.537 -1.498 1.00 0.00 O ATOM 1723 ND2 ASN A 108 -17.670 -1.784 -2.909 1.00 0.00 N ATOM 0 H ASN A 108 -16.735 0.244 -4.201 1.00 0.00 H new ATOM 0 HA ASN A 108 -19.397 -0.264 -4.687 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -17.859 0.931 -2.376 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -19.607 0.837 -2.291 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -17.554 -2.768 -2.666 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -17.051 -1.352 -3.595 1.00 0.00 H new ATOM 1730 N SER A 109 -18.755 2.967 -4.501 1.00 0.00 N ATOM 1731 CA SER A 109 -19.296 4.289 -4.797 1.00 0.00 C ATOM 1732 C SER A 109 -20.304 4.220 -5.940 1.00 0.00 C ATOM 1733 O SER A 109 -19.999 3.772 -7.045 1.00 0.00 O ATOM 1734 CB SER A 109 -18.166 5.256 -5.155 1.00 0.00 C ATOM 1735 OG SER A 109 -17.387 5.575 -4.015 1.00 0.00 O ATOM 0 H SER A 109 -17.778 2.967 -4.208 1.00 0.00 H new ATOM 0 HA SER A 109 -19.808 4.653 -3.906 1.00 0.00 H new ATOM 0 HB2 SER A 109 -17.531 4.810 -5.920 1.00 0.00 H new ATOM 0 HB3 SER A 109 -18.585 6.168 -5.580 1.00 0.00 H new ATOM 0 HG SER A 109 -16.891 4.781 -3.725 1.00 0.00 H new ATOM 1741 N PRO A 110 -21.536 4.676 -5.668 1.00 0.00 N ATOM 1742 CA PRO A 110 -22.615 4.678 -6.660 1.00 0.00 C ATOM 1743 C PRO A 110 -22.378 5.694 -7.773 1.00 0.00 C ATOM 1744 O PRO A 110 -21.787 6.753 -7.563 1.00 0.00 O ATOM 1745 CB PRO A 110 -23.850 5.061 -5.841 1.00 0.00 C ATOM 1746 CG PRO A 110 -23.312 5.828 -4.682 1.00 0.00 C ATOM 1747 CD PRO A 110 -21.970 5.224 -4.373 1.00 0.00 C ATOM 0 HA PRO A 110 -22.704 3.717 -7.167 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -24.543 5.664 -6.428 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -24.397 4.177 -5.512 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -23.217 6.886 -4.925 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -23.979 5.757 -3.823 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -21.270 5.971 -3.998 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -22.045 4.447 -3.613 1.00 0.00 H new ATOM 1755 N PRO A 111 -22.850 5.366 -8.985 1.00 0.00 N ATOM 1756 CA PRO A 111 -22.702 6.238 -10.154 1.00 0.00 C ATOM 1757 C PRO A 111 -23.559 7.495 -10.052 1.00 0.00 C ATOM 1758 O PRO A 111 -24.249 7.708 -9.056 1.00 0.00 O ATOM 1759 CB PRO A 111 -23.177 5.359 -11.314 1.00 0.00 C ATOM 1760 CG PRO A 111 -24.102 4.374 -10.688 1.00 0.00 C ATOM 1761 CD PRO A 111 -23.565 4.120 -9.307 1.00 0.00 C ATOM 0 HA PRO A 111 -21.680 6.600 -10.266 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -23.685 5.950 -12.076 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -22.339 4.861 -11.802 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -25.118 4.766 -10.645 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -24.140 3.452 -11.268 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -24.366 3.921 -8.595 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -22.899 3.258 -9.287 1.00 0.00 H new ATOM 1769 N ALA A 112 -23.510 8.324 -11.089 1.00 0.00 N ATOM 1770 CA ALA A 112 -24.284 9.559 -11.117 1.00 0.00 C ATOM 1771 C ALA A 112 -25.619 9.386 -10.401 1.00 0.00 C ATOM 1772 O ALA A 112 -26.213 8.307 -10.395 1.00 0.00 O ATOM 1773 CB ALA A 112 -24.508 10.010 -12.553 1.00 0.00 C ATOM 0 H ALA A 112 -22.942 8.163 -11.921 1.00 0.00 H new ATOM 0 HA ALA A 112 -23.716 10.326 -10.591 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -25.087 10.933 -12.558 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -23.545 10.183 -13.034 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -25.052 9.237 -13.096 1.00 0.00 H new ATOM 1779 N PRO A 113 -26.105 10.472 -9.782 1.00 0.00 N ATOM 1780 CA PRO A 113 -27.375 10.465 -9.051 1.00 0.00 C ATOM 1781 C PRO A 113 -28.578 10.338 -9.980 1.00 0.00 C ATOM 1782 O PRO A 113 -28.428 10.286 -11.200 1.00 0.00 O ATOM 1783 CB PRO A 113 -27.386 11.824 -8.346 1.00 0.00 C ATOM 1784 CG PRO A 113 -26.514 12.693 -9.184 1.00 0.00 C ATOM 1785 CD PRO A 113 -25.450 11.791 -9.748 1.00 0.00 C ATOM 0 HA PRO A 113 -27.449 9.616 -8.372 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -28.397 12.226 -8.277 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -27.005 11.745 -7.328 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -27.086 13.167 -9.981 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -26.073 13.493 -8.589 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -25.138 12.110 -10.742 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -24.558 11.781 -9.122 1.00 0.00 H new ATOM 1793 N SER A 114 -29.770 10.287 -9.394 1.00 0.00 N ATOM 1794 CA SER A 114 -30.998 10.162 -10.169 1.00 0.00 C ATOM 1795 C SER A 114 -32.173 10.799 -9.433 1.00 0.00 C ATOM 1796 O SER A 114 -32.047 11.215 -8.282 1.00 0.00 O ATOM 1797 CB SER A 114 -31.298 8.689 -10.455 1.00 0.00 C ATOM 1798 OG SER A 114 -30.694 8.271 -11.667 1.00 0.00 O ATOM 0 H SER A 114 -29.911 10.330 -8.385 1.00 0.00 H new ATOM 0 HA SER A 114 -30.857 10.687 -11.114 1.00 0.00 H new ATOM 0 HB2 SER A 114 -30.933 8.074 -9.632 1.00 0.00 H new ATOM 0 HB3 SER A 114 -32.376 8.539 -10.512 1.00 0.00 H new ATOM 0 HG SER A 114 -29.853 8.757 -11.798 1.00 0.00 H new ATOM 1804 N GLY A 115 -33.317 10.871 -10.107 1.00 0.00 N ATOM 1805 CA GLY A 115 -34.499 11.457 -9.502 1.00 0.00 C ATOM 1806 C GLY A 115 -34.739 10.954 -8.093 1.00 0.00 C ATOM 1807 O GLY A 115 -34.829 9.751 -7.847 1.00 0.00 O ATOM 0 H GLY A 115 -33.446 10.534 -11.061 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -34.394 12.542 -9.484 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -35.369 11.231 -10.118 1.00 0.00 H new ATOM 1811 N PRO A 116 -34.846 11.889 -7.136 1.00 0.00 N ATOM 1812 CA PRO A 116 -35.078 11.557 -5.728 1.00 0.00 C ATOM 1813 C PRO A 116 -36.480 11.008 -5.484 1.00 0.00 C ATOM 1814 O PRO A 116 -36.858 10.727 -4.347 1.00 0.00 O ATOM 1815 CB PRO A 116 -34.898 12.899 -5.013 1.00 0.00 C ATOM 1816 CG PRO A 116 -35.206 13.924 -6.049 1.00 0.00 C ATOM 1817 CD PRO A 116 -34.749 13.341 -7.357 1.00 0.00 C ATOM 0 HA PRO A 116 -34.403 10.777 -5.377 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -35.569 12.986 -4.159 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -33.883 13.012 -4.633 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -36.273 14.147 -6.073 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -34.689 14.860 -5.837 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -35.381 13.665 -8.184 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -33.730 13.644 -7.598 1.00 0.00 H new ATOM 1825 N SER A 117 -37.246 10.858 -6.560 1.00 0.00 N ATOM 1826 CA SER A 117 -38.608 10.345 -6.462 1.00 0.00 C ATOM 1827 C SER A 117 -38.718 9.302 -5.354 1.00 0.00 C ATOM 1828 O SER A 117 -37.828 8.469 -5.181 1.00 0.00 O ATOM 1829 CB SER A 117 -39.043 9.736 -7.797 1.00 0.00 C ATOM 1830 OG SER A 117 -39.239 10.741 -8.776 1.00 0.00 O ATOM 0 H SER A 117 -36.947 11.084 -7.509 1.00 0.00 H new ATOM 0 HA SER A 117 -39.267 11.178 -6.219 1.00 0.00 H new ATOM 0 HB2 SER A 117 -38.287 9.030 -8.142 1.00 0.00 H new ATOM 0 HB3 SER A 117 -39.966 9.173 -7.660 1.00 0.00 H new ATOM 0 HG SER A 117 -39.515 10.326 -9.620 1.00 0.00 H new ATOM 1836 N SER A 118 -39.815 9.355 -4.607 1.00 0.00 N ATOM 1837 CA SER A 118 -40.041 8.418 -3.513 1.00 0.00 C ATOM 1838 C SER A 118 -41.406 7.749 -3.644 1.00 0.00 C ATOM 1839 O SER A 118 -42.435 8.343 -3.322 1.00 0.00 O ATOM 1840 CB SER A 118 -39.941 9.138 -2.167 1.00 0.00 C ATOM 1841 OG SER A 118 -39.536 8.248 -1.141 1.00 0.00 O ATOM 0 H SER A 118 -40.562 10.037 -4.739 1.00 0.00 H new ATOM 0 HA SER A 118 -39.271 7.648 -3.563 1.00 0.00 H new ATOM 0 HB2 SER A 118 -39.228 9.959 -2.242 1.00 0.00 H new ATOM 0 HB3 SER A 118 -40.906 9.576 -1.913 1.00 0.00 H new ATOM 0 HG SER A 118 -39.478 8.733 -0.291 1.00 0.00 H new ATOM 1847 N GLY A 119 -41.407 6.507 -4.118 1.00 0.00 N ATOM 1848 CA GLY A 119 -42.650 5.777 -4.284 1.00 0.00 C ATOM 1849 C GLY A 119 -42.455 4.454 -4.999 1.00 0.00 C ATOM 1850 O GLY A 119 -42.024 4.422 -6.151 1.00 0.00 O ATOM 0 H GLY A 119 -40.569 5.993 -4.390 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -43.095 5.595 -3.305 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -43.355 6.390 -4.846 1.00 0.00 H new TER 1854 GLY A 119