USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 890 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 38 CYS SG : rot -154:sc= -0.383 USER MOD Set 1.2: A 41 CYS SG : rot -150:sc= -1.67! USER MOD Set 2.1: A 9 CYS SG : rot 74:sc= -1.74! USER MOD Set 2.2: A 14 THR OG1 : rot 101:sc= 0.219 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.0023) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0344 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= -0.0788 X(o=-0.079,f=-0.074) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.314) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -138:sc= 0 (180deg=-1.28!) USER MOD Single : A 34 THR OG1 : rot -64:sc= 0.0738 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 177:sc= 0 (180deg=-0.00866) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN :FLIP amide:sc= 0 F(o=-0.92,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.101 X(o=-0.1,f=0) USER MOD Single : A 80 MET CE :methyl -152:sc= -0.255 (180deg=-2.41!) USER MOD Single : A 82 THR OG1 : rot 91:sc= 0.592 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0212) USER MOD Single : A 95 THR OG1 : rot -0:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 82:sc= 0.774 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS : no HD1:sc= -0.268 X(o=-0.27,f=-0.11) USER MOD Single : A 112 THR OG1 : rot 85:sc= 0.0792 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -13.034 9.030 17.324 1.00 0.00 N ATOM 2 CA ALA A 1 -11.958 8.134 16.868 1.00 0.00 C ATOM 3 C ALA A 1 -12.300 7.747 15.404 1.00 0.00 C ATOM 4 O ALA A 1 -13.238 6.967 15.046 1.00 0.00 O ATOM 5 CB ALA A 1 -11.840 6.998 17.950 1.00 0.00 C ATOM 0 H1 ALA A 1 -12.851 9.320 18.306 1.00 0.00 H new ATOM 0 H2 ALA A 1 -13.066 9.872 16.714 1.00 0.00 H new ATOM 0 H3 ALA A 1 -13.945 8.531 17.274 1.00 0.00 H new ATOM 0 HA ALA A 1 -10.953 8.551 16.806 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -11.053 6.301 17.662 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -11.597 7.440 18.916 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -12.788 6.465 18.023 1.00 0.00 H new ATOM 12 N GLU A 2 -11.415 8.238 14.524 1.00 0.00 N ATOM 13 CA GLU A 2 -11.542 8.206 13.057 1.00 0.00 C ATOM 14 C GLU A 2 -10.119 8.189 12.424 1.00 0.00 C ATOM 15 O GLU A 2 -9.344 9.160 12.594 1.00 0.00 O ATOM 16 CB GLU A 2 -12.370 9.466 12.563 1.00 0.00 C ATOM 17 CG GLU A 2 -12.698 9.567 11.046 1.00 0.00 C ATOM 18 CD GLU A 2 -13.257 10.879 10.576 1.00 0.00 C ATOM 19 OE1 GLU A 2 -12.605 11.942 10.591 1.00 0.00 O ATOM 20 OE2 GLU A 2 -14.577 10.746 10.285 1.00 0.00 O ATOM 0 H GLU A 2 -10.552 8.689 14.828 1.00 0.00 H new ATOM 0 HA GLU A 2 -12.075 7.308 12.746 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -13.312 9.484 13.112 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -11.818 10.362 12.847 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -11.787 9.361 10.484 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -13.411 8.781 10.796 1.00 0.00 H new ATOM 28 N GLU A 3 -9.721 7.085 11.766 1.00 0.00 N ATOM 29 CA GLU A 3 -8.299 6.817 11.368 1.00 0.00 C ATOM 30 C GLU A 3 -8.159 5.805 10.158 1.00 0.00 C ATOM 31 O GLU A 3 -9.066 5.092 9.809 1.00 0.00 O ATOM 32 CB GLU A 3 -7.374 6.453 12.525 1.00 0.00 C ATOM 33 CG GLU A 3 -7.716 5.125 13.233 1.00 0.00 C ATOM 34 CD GLU A 3 -6.691 4.516 14.193 1.00 0.00 C ATOM 35 OE1 GLU A 3 -5.969 3.592 13.774 1.00 0.00 O ATOM 36 OE2 GLU A 3 -6.671 4.944 15.517 1.00 0.00 O ATOM 0 H GLU A 3 -10.365 6.344 11.488 1.00 0.00 H new ATOM 0 HA GLU A 3 -7.949 7.785 11.009 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -6.352 6.396 12.151 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -7.400 7.258 13.260 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -8.641 5.277 13.790 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -7.926 4.384 12.462 1.00 0.00 H new ATOM 44 N GLY A 4 -6.909 5.798 9.604 1.00 0.00 N ATOM 45 CA GLY A 4 -6.347 4.700 8.771 1.00 0.00 C ATOM 46 C GLY A 4 -6.058 3.425 9.531 1.00 0.00 C ATOM 47 O GLY A 4 -6.026 3.452 10.733 1.00 0.00 O ATOM 0 H GLY A 4 -6.256 6.572 9.729 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.046 4.478 7.965 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.425 5.049 8.306 1.00 0.00 H new ATOM 51 N GLN A 5 -5.864 2.319 8.801 1.00 0.00 N ATOM 52 CA GLN A 5 -5.696 0.953 9.361 1.00 0.00 C ATOM 53 C GLN A 5 -4.798 0.233 8.352 1.00 0.00 C ATOM 54 O GLN A 5 -5.109 0.067 7.168 1.00 0.00 O ATOM 55 CB GLN A 5 -7.096 0.375 9.548 1.00 0.00 C ATOM 56 CG GLN A 5 -7.822 -0.314 8.418 1.00 0.00 C ATOM 57 CD GLN A 5 -9.284 -0.665 8.675 1.00 0.00 C ATOM 58 OE1 GLN A 5 -10.163 0.191 8.677 1.00 0.00 O ATOM 59 NE2 GLN A 5 -9.629 -1.852 9.075 1.00 0.00 N ATOM 0 H GLN A 5 -5.817 2.339 7.782 1.00 0.00 H new ATOM 0 HA GLN A 5 -5.221 0.878 10.339 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -7.037 -0.340 10.369 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -7.734 1.193 9.883 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -7.773 0.326 7.537 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -7.286 -1.232 8.175 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -8.940 -2.604 9.095 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -10.589 -2.032 9.369 1.00 0.00 H new ATOM 68 N VAL A 6 -3.698 -0.308 8.871 1.00 0.00 N ATOM 69 CA VAL A 6 -2.785 -1.311 8.311 1.00 0.00 C ATOM 70 C VAL A 6 -3.201 -2.836 8.638 1.00 0.00 C ATOM 71 O VAL A 6 -3.203 -3.287 9.790 1.00 0.00 O ATOM 72 CB VAL A 6 -1.289 -1.101 8.803 1.00 0.00 C ATOM 73 CG1 VAL A 6 -0.255 -1.912 7.981 1.00 0.00 C ATOM 74 CG2 VAL A 6 -0.762 0.355 8.745 1.00 0.00 C ATOM 0 H VAL A 6 -3.387 -0.024 9.800 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.859 -1.156 7.235 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.366 -1.436 9.837 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.746 -1.724 8.368 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.481 -2.975 8.060 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.303 -1.608 6.935 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.267 0.384 9.103 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.799 0.715 7.717 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.383 0.992 9.375 1.00 0.00 H new ATOM 84 N ILE A 7 -3.326 -3.635 7.528 1.00 0.00 N ATOM 85 CA ILE A 7 -3.785 -5.073 7.452 1.00 0.00 C ATOM 86 C ILE A 7 -2.768 -5.964 6.594 1.00 0.00 C ATOM 87 O ILE A 7 -2.419 -5.610 5.461 1.00 0.00 O ATOM 88 CB ILE A 7 -5.326 -5.114 7.011 1.00 0.00 C ATOM 89 CG1 ILE A 7 -6.167 -6.356 7.490 1.00 0.00 C ATOM 90 CG2 ILE A 7 -5.588 -4.913 5.501 1.00 0.00 C ATOM 91 CD1 ILE A 7 -5.774 -7.747 6.934 1.00 0.00 C ATOM 0 H ILE A 7 -3.095 -3.273 6.603 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.756 -5.549 8.432 1.00 0.00 H new ATOM 0 HB ILE A 7 -5.681 -4.241 7.559 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -6.110 -6.401 8.578 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -7.211 -6.174 7.233 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -6.660 -4.958 5.309 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -5.204 -3.941 5.191 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -5.085 -5.698 4.937 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.438 -8.506 7.349 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.863 -7.743 5.848 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.745 -7.973 7.213 1.00 0.00 H new ATOM 103 N ALA A 8 -2.319 -7.074 7.202 1.00 0.00 N ATOM 104 CA ALA A 8 -1.571 -8.221 6.613 1.00 0.00 C ATOM 105 C ALA A 8 -2.330 -9.138 5.590 1.00 0.00 C ATOM 106 O ALA A 8 -3.496 -9.476 5.730 1.00 0.00 O ATOM 107 CB ALA A 8 -0.945 -9.111 7.700 1.00 0.00 C ATOM 0 H ALA A 8 -2.477 -7.214 8.200 1.00 0.00 H new ATOM 0 HA ALA A 8 -0.813 -7.705 6.023 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -0.409 -9.936 7.231 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -0.251 -8.521 8.299 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -1.731 -9.508 8.342 1.00 0.00 H new ATOM 113 N CYS A 9 -1.625 -9.416 4.491 1.00 0.00 N ATOM 114 CA CYS A 9 -2.208 -9.831 3.154 1.00 0.00 C ATOM 115 C CYS A 9 -1.299 -11.029 2.676 1.00 0.00 C ATOM 116 O CYS A 9 -0.080 -10.924 2.694 1.00 0.00 O ATOM 117 CB CYS A 9 -2.352 -8.689 2.170 1.00 0.00 C ATOM 118 SG CYS A 9 -3.606 -7.551 2.793 1.00 0.00 S ATOM 0 H CYS A 9 -0.606 -9.366 4.476 1.00 0.00 H new ATOM 0 HA CYS A 9 -3.246 -10.153 3.239 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.400 -8.173 2.047 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.638 -9.068 1.189 1.00 0.00 H new ATOM 0 HG CYS A 9 -3.121 -6.876 3.792 1.00 0.00 H new ATOM 124 N HIS A 10 -1.884 -12.103 2.193 1.00 0.00 N ATOM 125 CA HIS A 10 -1.221 -13.470 2.138 1.00 0.00 C ATOM 126 C HIS A 10 -1.680 -14.405 0.968 1.00 0.00 C ATOM 127 O HIS A 10 -0.997 -15.441 0.725 1.00 0.00 O ATOM 128 CB HIS A 10 -1.403 -14.184 3.494 1.00 0.00 C ATOM 129 CG HIS A 10 -0.508 -13.722 4.642 1.00 0.00 C ATOM 130 ND1 HIS A 10 0.847 -13.681 4.545 1.00 0.00 N ATOM 131 CD2 HIS A 10 -0.909 -13.151 5.859 1.00 0.00 C ATOM 132 CE1 HIS A 10 1.137 -13.084 5.750 1.00 0.00 C ATOM 133 NE2 HIS A 10 0.143 -12.781 6.618 1.00 0.00 N ATOM 0 H HIS A 10 -2.832 -12.096 1.817 1.00 0.00 H new ATOM 0 HA HIS A 10 -0.170 -13.271 1.930 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -2.441 -14.065 3.804 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -1.236 -15.250 3.341 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -1.940 -13.023 6.154 1.00 0.00 H new ATOM 0 HE1 HIS A 10 2.162 -12.856 6.005 1.00 0.00 H new ATOM 0 HE2 HIS A 10 0.179 -12.391 7.560 1.00 0.00 H new ATOM 141 N THR A 11 -2.897 -14.165 0.354 1.00 0.00 N ATOM 142 CA THR A 11 -3.633 -15.216 -0.428 1.00 0.00 C ATOM 143 C THR A 11 -4.449 -14.463 -1.558 1.00 0.00 C ATOM 144 O THR A 11 -4.228 -13.313 -1.933 1.00 0.00 O ATOM 145 CB THR A 11 -4.555 -16.131 0.509 1.00 0.00 C ATOM 146 OG1 THR A 11 -5.479 -15.312 1.137 1.00 0.00 O ATOM 147 CG2 THR A 11 -3.858 -17.002 1.558 1.00 0.00 C ATOM 0 H THR A 11 -3.376 -13.265 0.389 1.00 0.00 H new ATOM 0 HA THR A 11 -2.934 -15.918 -0.884 1.00 0.00 H new ATOM 0 HB THR A 11 -5.001 -16.859 -0.169 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.056 -15.853 1.715 1.00 0.00 H new ATOM 0 HG21 THR A 11 -4.605 -17.566 2.117 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.177 -17.694 1.062 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.295 -16.367 2.242 1.00 0.00 H new ATOM 155 N VAL A 12 -5.363 -15.205 -2.212 1.00 0.00 N ATOM 156 CA VAL A 12 -6.531 -14.541 -2.834 1.00 0.00 C ATOM 157 C VAL A 12 -7.468 -13.546 -2.013 1.00 0.00 C ATOM 158 O VAL A 12 -8.214 -12.741 -2.631 1.00 0.00 O ATOM 159 CB VAL A 12 -7.407 -15.584 -3.643 1.00 0.00 C ATOM 160 CG1 VAL A 12 -8.264 -16.504 -2.823 1.00 0.00 C ATOM 161 CG2 VAL A 12 -8.332 -14.942 -4.734 1.00 0.00 C ATOM 0 H VAL A 12 -5.325 -16.218 -2.323 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.008 -13.823 -3.465 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.619 -16.174 -4.111 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.817 -17.172 -3.484 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.633 -17.093 -2.158 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.966 -15.916 -2.231 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.896 -15.726 -5.240 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.024 -14.245 -4.260 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.720 -14.408 -5.461 1.00 0.00 H new ATOM 171 N ASP A 13 -7.424 -13.663 -0.709 1.00 0.00 N ATOM 172 CA ASP A 13 -8.082 -12.755 0.229 1.00 0.00 C ATOM 173 C ASP A 13 -7.744 -11.255 0.033 1.00 0.00 C ATOM 174 O ASP A 13 -8.651 -10.434 0.128 1.00 0.00 O ATOM 175 CB ASP A 13 -7.943 -13.237 1.732 1.00 0.00 C ATOM 176 CG ASP A 13 -8.846 -14.504 2.047 1.00 0.00 C ATOM 177 OD1 ASP A 13 -8.726 -15.611 1.562 1.00 0.00 O ATOM 178 OD2 ASP A 13 -9.797 -14.192 2.931 1.00 0.00 O ATOM 0 H ASP A 13 -6.915 -14.415 -0.245 1.00 0.00 H new ATOM 0 HA ASP A 13 -9.141 -12.814 -0.024 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.900 -13.477 1.939 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.221 -12.421 2.399 1.00 0.00 H new ATOM 184 N THR A 14 -6.482 -10.872 -0.121 1.00 0.00 N ATOM 185 CA THR A 14 -6.103 -9.560 -0.736 1.00 0.00 C ATOM 186 C THR A 14 -6.764 -9.139 -2.125 1.00 0.00 C ATOM 187 O THR A 14 -7.108 -7.981 -2.290 1.00 0.00 O ATOM 188 CB THR A 14 -4.627 -9.196 -0.596 1.00 0.00 C ATOM 189 OG1 THR A 14 -4.463 -7.757 -0.467 1.00 0.00 O ATOM 190 CG2 THR A 14 -3.786 -9.758 -1.703 1.00 0.00 C ATOM 0 H THR A 14 -5.684 -11.439 0.166 1.00 0.00 H new ATOM 0 HA THR A 14 -6.643 -8.886 -0.071 1.00 0.00 H new ATOM 0 HB THR A 14 -4.264 -9.661 0.321 1.00 0.00 H new ATOM 0 HG1 THR A 14 -4.318 -7.527 0.475 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.746 -9.468 -1.553 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.863 -10.845 -1.703 1.00 0.00 H new ATOM 0 HG23 THR A 14 -4.136 -9.370 -2.659 1.00 0.00 H new ATOM 198 N TRP A 15 -6.816 -10.085 -3.098 1.00 0.00 N ATOM 199 CA TRP A 15 -7.576 -9.885 -4.353 1.00 0.00 C ATOM 200 C TRP A 15 -8.989 -9.326 -4.219 1.00 0.00 C ATOM 201 O TRP A 15 -9.370 -8.320 -4.875 1.00 0.00 O ATOM 202 CB TRP A 15 -7.564 -11.229 -5.192 1.00 0.00 C ATOM 203 CG TRP A 15 -6.481 -11.382 -6.300 1.00 0.00 C ATOM 204 CD1 TRP A 15 -5.187 -11.898 -6.278 1.00 0.00 C ATOM 205 CD2 TRP A 15 -6.623 -10.881 -7.573 1.00 0.00 C ATOM 206 NE1 TRP A 15 -4.481 -11.805 -7.477 1.00 0.00 N ATOM 207 CE2 TRP A 15 -5.409 -11.110 -8.325 1.00 0.00 C ATOM 208 CE3 TRP A 15 -7.671 -10.129 -8.274 1.00 0.00 C ATOM 209 CZ2 TRP A 15 -5.245 -10.801 -9.693 1.00 0.00 C ATOM 210 CZ3 TRP A 15 -7.538 -9.810 -9.641 1.00 0.00 C ATOM 211 CH2 TRP A 15 -6.307 -10.111 -10.311 1.00 0.00 C ATOM 0 H TRP A 15 -6.343 -10.987 -3.036 1.00 0.00 H new ATOM 0 HA TRP A 15 -7.051 -9.087 -4.878 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -7.449 -12.059 -4.494 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -8.542 -11.340 -5.661 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -4.759 -12.341 -5.391 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -3.544 -12.144 -7.696 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -8.554 -9.817 -7.736 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -4.354 -11.078 -10.236 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -8.353 -9.345 -10.176 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -6.188 -9.794 -11.337 1.00 0.00 H new ATOM 222 N LYS A 16 -9.770 -9.976 -3.294 1.00 0.00 N ATOM 223 CA LYS A 16 -10.988 -9.321 -2.709 1.00 0.00 C ATOM 224 C LYS A 16 -10.716 -7.898 -2.116 1.00 0.00 C ATOM 225 O LYS A 16 -11.291 -6.918 -2.627 1.00 0.00 O ATOM 226 CB LYS A 16 -11.736 -10.214 -1.707 1.00 0.00 C ATOM 227 CG LYS A 16 -12.497 -11.410 -2.271 1.00 0.00 C ATOM 228 CD LYS A 16 -13.171 -12.439 -1.325 1.00 0.00 C ATOM 229 CE LYS A 16 -12.136 -13.259 -0.577 1.00 0.00 C ATOM 230 NZ LYS A 16 -12.852 -13.970 0.460 1.00 0.00 N ATOM 0 H LYS A 16 -9.586 -10.918 -2.949 1.00 0.00 H new ATOM 0 HA LYS A 16 -11.651 -9.177 -3.562 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -11.013 -10.586 -0.981 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -12.444 -9.590 -1.161 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -13.276 -11.016 -2.923 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -11.802 -11.963 -2.903 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -13.810 -11.917 -0.612 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -13.814 -13.102 -1.904 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.632 -13.954 -1.248 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.367 -12.616 -0.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.185 -14.551 1.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -13.315 -13.287 1.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.572 -14.583 0.027 1.00 0.00 H new ATOM 243 N GLU A 17 -9.909 -7.729 -1.069 1.00 0.00 N ATOM 244 CA GLU A 17 -9.583 -6.463 -0.343 1.00 0.00 C ATOM 245 C GLU A 17 -9.145 -5.226 -1.194 1.00 0.00 C ATOM 246 O GLU A 17 -9.825 -4.166 -1.276 1.00 0.00 O ATOM 247 CB GLU A 17 -8.581 -6.755 0.846 1.00 0.00 C ATOM 248 CG GLU A 17 -9.137 -7.612 2.019 1.00 0.00 C ATOM 249 CD GLU A 17 -8.030 -8.278 2.854 1.00 0.00 C ATOM 250 OE1 GLU A 17 -7.778 -9.408 2.728 1.00 0.00 O ATOM 251 OE2 GLU A 17 -7.443 -7.431 3.695 1.00 0.00 O ATOM 0 H GLU A 17 -9.419 -8.525 -0.660 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.547 -6.130 0.042 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.704 -7.259 0.439 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.241 -5.801 1.250 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.743 -6.980 2.668 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.796 -8.383 1.618 1.00 0.00 H new ATOM 259 N HIS A 18 -7.986 -5.355 -1.882 1.00 0.00 N ATOM 260 CA HIS A 18 -7.448 -4.391 -2.854 1.00 0.00 C ATOM 261 C HIS A 18 -8.423 -3.918 -3.966 1.00 0.00 C ATOM 262 O HIS A 18 -8.680 -2.708 -4.030 1.00 0.00 O ATOM 263 CB HIS A 18 -6.105 -5.021 -3.339 1.00 0.00 C ATOM 264 CG HIS A 18 -5.294 -4.235 -4.329 1.00 0.00 C ATOM 265 ND1 HIS A 18 -5.297 -4.370 -5.737 1.00 0.00 N ATOM 266 CD2 HIS A 18 -4.427 -3.190 -4.064 1.00 0.00 C ATOM 267 CE1 HIS A 18 -4.468 -3.350 -6.109 1.00 0.00 C ATOM 268 NE2 HIS A 18 -3.885 -2.553 -5.162 1.00 0.00 N ATOM 0 H HIS A 18 -7.381 -6.168 -1.766 1.00 0.00 H new ATOM 0 HA HIS A 18 -7.277 -3.423 -2.384 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -5.483 -5.205 -2.463 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.328 -5.992 -3.781 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.188 -2.890 -3.055 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -4.272 -3.172 -7.156 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -3.257 -1.753 -5.241 1.00 0.00 H new ATOM 276 N PHE A 19 -8.981 -4.871 -4.711 1.00 0.00 N ATOM 277 CA PHE A 19 -10.038 -4.632 -5.741 1.00 0.00 C ATOM 278 C PHE A 19 -11.422 -3.953 -5.306 1.00 0.00 C ATOM 279 O PHE A 19 -11.800 -2.882 -5.778 1.00 0.00 O ATOM 280 CB PHE A 19 -10.381 -5.920 -6.583 1.00 0.00 C ATOM 281 CG PHE A 19 -10.985 -5.633 -7.956 1.00 0.00 C ATOM 282 CD1 PHE A 19 -10.134 -5.462 -9.028 1.00 0.00 C ATOM 283 CD2 PHE A 19 -12.363 -5.783 -8.173 1.00 0.00 C ATOM 284 CE1 PHE A 19 -10.615 -5.528 -10.362 1.00 0.00 C ATOM 285 CE2 PHE A 19 -12.848 -5.736 -9.470 1.00 0.00 C ATOM 286 CZ PHE A 19 -11.973 -5.682 -10.572 1.00 0.00 C ATOM 0 H PHE A 19 -8.720 -5.853 -4.628 1.00 0.00 H new ATOM 0 HA PHE A 19 -9.523 -3.871 -6.328 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -9.471 -6.506 -6.715 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -11.078 -6.536 -6.015 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.085 -5.275 -8.850 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -13.036 -5.933 -7.341 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -9.933 -5.459 -11.197 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -13.915 -5.741 -9.639 1.00 0.00 H new ATOM 0 HZ PHE A 19 -12.361 -5.761 -11.577 1.00 0.00 H new ATOM 296 N GLU A 20 -12.171 -4.581 -4.338 1.00 0.00 N ATOM 297 CA GLU A 20 -13.478 -4.136 -3.777 1.00 0.00 C ATOM 298 C GLU A 20 -13.439 -2.787 -3.051 1.00 0.00 C ATOM 299 O GLU A 20 -14.086 -1.826 -3.574 1.00 0.00 O ATOM 300 CB GLU A 20 -14.142 -5.272 -2.961 1.00 0.00 C ATOM 301 CG GLU A 20 -14.731 -6.491 -3.731 1.00 0.00 C ATOM 302 CD GLU A 20 -16.116 -6.112 -4.368 1.00 0.00 C ATOM 303 OE1 GLU A 20 -16.259 -5.651 -5.509 1.00 0.00 O ATOM 304 OE2 GLU A 20 -17.148 -6.449 -3.529 1.00 0.00 O ATOM 0 H GLU A 20 -11.856 -5.453 -3.913 1.00 0.00 H new ATOM 0 HA GLU A 20 -14.125 -3.928 -4.630 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -13.402 -5.651 -2.256 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.946 -4.831 -2.372 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -14.038 -6.807 -4.511 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.853 -7.335 -3.052 1.00 0.00 H new ATOM 312 N LYS A 21 -12.695 -2.578 -1.977 1.00 0.00 N ATOM 313 CA LYS A 21 -12.436 -1.176 -1.390 1.00 0.00 C ATOM 314 C LYS A 21 -11.997 -0.113 -2.452 1.00 0.00 C ATOM 315 O LYS A 21 -12.758 0.869 -2.651 1.00 0.00 O ATOM 316 CB LYS A 21 -11.560 -1.256 -0.090 1.00 0.00 C ATOM 317 CG LYS A 21 -12.157 -2.037 1.080 1.00 0.00 C ATOM 318 CD LYS A 21 -13.435 -1.404 1.756 1.00 0.00 C ATOM 319 CE LYS A 21 -14.092 -2.328 2.770 1.00 0.00 C ATOM 320 NZ LYS A 21 -13.209 -2.883 3.870 1.00 0.00 N ATOM 0 H LYS A 21 -12.239 -3.329 -1.460 1.00 0.00 H new ATOM 0 HA LYS A 21 -13.394 -0.774 -1.060 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.602 -1.707 -0.350 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.353 -0.240 0.246 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.413 -3.037 0.730 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.387 -2.154 1.843 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.155 -0.473 2.249 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.159 -1.149 0.983 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.915 -1.787 3.237 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.528 -3.168 2.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.774 -3.496 4.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.436 -3.436 3.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.811 -2.098 4.425 1.00 0.00 H new ATOM 333 N GLY A 22 -10.847 -0.364 -3.152 1.00 0.00 N ATOM 334 CA GLY A 22 -10.337 0.467 -4.281 1.00 0.00 C ATOM 335 C GLY A 22 -11.273 1.034 -5.322 1.00 0.00 C ATOM 336 O GLY A 22 -11.825 2.136 -5.120 1.00 0.00 O ATOM 0 H GLY A 22 -10.244 -1.160 -2.942 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -9.804 1.309 -3.840 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.599 -0.135 -4.811 1.00 0.00 H new ATOM 340 N LYS A 23 -11.596 0.198 -6.258 1.00 0.00 N ATOM 341 CA LYS A 23 -12.813 0.263 -7.034 1.00 0.00 C ATOM 342 C LYS A 23 -14.020 -0.288 -6.287 1.00 0.00 C ATOM 343 O LYS A 23 -14.336 -1.498 -6.271 1.00 0.00 O ATOM 344 CB LYS A 23 -12.636 -0.451 -8.334 1.00 0.00 C ATOM 345 CG LYS A 23 -13.759 -0.173 -9.367 1.00 0.00 C ATOM 346 CD LYS A 23 -13.792 -1.275 -10.451 1.00 0.00 C ATOM 347 CE LYS A 23 -12.561 -1.663 -11.266 1.00 0.00 C ATOM 348 NZ LYS A 23 -12.132 -0.464 -12.041 1.00 0.00 N ATOM 0 H LYS A 23 -10.998 -0.586 -6.520 1.00 0.00 H new ATOM 0 HA LYS A 23 -13.013 1.318 -7.222 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -11.679 -0.162 -8.768 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -12.589 -1.523 -8.144 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -14.723 -0.126 -8.860 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -13.597 0.798 -9.834 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -14.140 -2.184 -9.961 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -14.561 -0.985 -11.167 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.759 -2.001 -10.610 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.792 -2.490 -11.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.521 -0.760 -12.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.970 0.024 -12.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.606 0.182 -11.418 1.00 0.00 H new ATOM 361 N GLY A 24 -14.763 0.731 -5.776 1.00 0.00 N ATOM 362 CA GLY A 24 -16.202 0.475 -5.416 1.00 0.00 C ATOM 363 C GLY A 24 -16.779 1.438 -4.327 1.00 0.00 C ATOM 364 O GLY A 24 -17.909 1.963 -4.461 1.00 0.00 O ATOM 0 H GLY A 24 -14.427 1.680 -5.609 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -16.809 0.560 -6.317 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -16.298 -0.552 -5.063 1.00 0.00 H new ATOM 368 N SER A 25 -15.967 1.542 -3.229 1.00 0.00 N ATOM 369 CA SER A 25 -16.159 2.514 -2.087 1.00 0.00 C ATOM 370 C SER A 25 -15.302 3.758 -2.475 1.00 0.00 C ATOM 371 O SER A 25 -14.149 3.614 -2.840 1.00 0.00 O ATOM 372 CB SER A 25 -15.717 1.905 -0.719 1.00 0.00 C ATOM 373 OG SER A 25 -16.403 0.708 -0.340 1.00 0.00 O ATOM 0 H SER A 25 -15.148 0.948 -3.105 1.00 0.00 H new ATOM 0 HA SER A 25 -17.209 2.771 -1.947 1.00 0.00 H new ATOM 0 HB2 SER A 25 -14.648 1.696 -0.760 1.00 0.00 H new ATOM 0 HB3 SER A 25 -15.866 2.653 0.060 1.00 0.00 H new ATOM 0 HG SER A 25 -16.063 0.396 0.525 1.00 0.00 H new ATOM 379 N GLN A 26 -15.864 4.936 -2.373 1.00 0.00 N ATOM 380 CA GLN A 26 -15.267 6.276 -2.528 1.00 0.00 C ATOM 381 C GLN A 26 -14.171 6.612 -1.447 1.00 0.00 C ATOM 382 O GLN A 26 -14.230 7.343 -0.467 1.00 0.00 O ATOM 383 CB GLN A 26 -16.502 7.274 -2.515 1.00 0.00 C ATOM 384 CG GLN A 26 -17.194 7.353 -3.956 1.00 0.00 C ATOM 385 CD GLN A 26 -17.957 6.172 -4.545 1.00 0.00 C ATOM 386 OE1 GLN A 26 -19.066 5.826 -4.132 1.00 0.00 O ATOM 387 NE2 GLN A 26 -17.388 5.495 -5.580 1.00 0.00 N ATOM 0 H GLN A 26 -16.858 5.008 -2.156 1.00 0.00 H new ATOM 0 HA GLN A 26 -14.701 6.353 -3.457 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -17.232 6.945 -1.775 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -16.168 8.267 -2.214 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -17.887 8.194 -3.928 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -16.410 7.610 -4.669 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -16.471 5.774 -5.929 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -17.879 4.709 -6.007 1.00 0.00 H new ATOM 396 N LYS A 27 -13.047 6.012 -1.692 1.00 0.00 N ATOM 397 CA LYS A 27 -11.758 6.048 -0.861 1.00 0.00 C ATOM 398 C LYS A 27 -10.469 5.785 -1.666 1.00 0.00 C ATOM 399 O LYS A 27 -10.488 5.243 -2.797 1.00 0.00 O ATOM 400 CB LYS A 27 -11.961 5.166 0.432 1.00 0.00 C ATOM 401 CG LYS A 27 -12.067 3.643 0.216 1.00 0.00 C ATOM 402 CD LYS A 27 -11.887 2.775 1.478 1.00 0.00 C ATOM 403 CE LYS A 27 -13.079 2.877 2.485 1.00 0.00 C ATOM 404 NZ LYS A 27 -12.968 1.933 3.606 1.00 0.00 N ATOM 0 H LYS A 27 -12.938 5.429 -2.522 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.577 7.070 -0.529 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.129 5.357 1.110 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.867 5.503 0.936 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.042 3.423 -0.218 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.317 3.345 -0.517 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.764 1.734 1.178 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.968 3.071 1.984 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.130 3.893 2.877 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -14.013 2.693 1.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.899 1.512 3.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.292 1.182 3.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.634 2.437 4.452 1.00 0.00 H new ATOM 417 N LEU A 28 -9.399 6.305 -1.060 1.00 0.00 N ATOM 418 CA LEU A 28 -7.953 5.992 -1.357 1.00 0.00 C ATOM 419 C LEU A 28 -7.492 4.663 -0.593 1.00 0.00 C ATOM 420 O LEU A 28 -7.961 4.241 0.445 1.00 0.00 O ATOM 421 CB LEU A 28 -7.043 7.315 -1.191 1.00 0.00 C ATOM 422 CG LEU A 28 -5.526 7.262 -1.475 1.00 0.00 C ATOM 423 CD1 LEU A 28 -5.196 6.837 -2.886 1.00 0.00 C ATOM 424 CD2 LEU A 28 -4.862 8.577 -1.067 1.00 0.00 C ATOM 0 H LEU A 28 -9.495 6.990 -0.310 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.809 5.727 -2.404 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.466 8.080 -1.842 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.167 7.664 -0.166 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.102 6.473 -0.853 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.114 6.821 -3.018 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.599 5.841 -3.070 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.637 7.542 -3.591 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.793 8.524 -1.273 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.301 9.398 -1.634 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.018 8.748 -0.002 1.00 0.00 H new ATOM 436 N ILE A 29 -6.545 3.892 -1.233 1.00 0.00 N ATOM 437 CA ILE A 29 -5.972 2.582 -0.752 1.00 0.00 C ATOM 438 C ILE A 29 -4.463 2.575 -1.273 1.00 0.00 C ATOM 439 O ILE A 29 -4.101 3.061 -2.340 1.00 0.00 O ATOM 440 CB ILE A 29 -6.676 1.289 -1.061 1.00 0.00 C ATOM 441 CG1 ILE A 29 -6.553 0.689 -2.487 1.00 0.00 C ATOM 442 CG2 ILE A 29 -8.155 1.358 -0.640 1.00 0.00 C ATOM 443 CD1 ILE A 29 -6.716 -0.807 -2.555 1.00 0.00 C ATOM 0 H ILE A 29 -6.147 4.176 -2.128 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.096 2.576 0.331 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.109 0.579 -0.458 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.303 1.152 -3.128 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.578 0.954 -2.895 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.644 0.412 -0.873 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -8.220 1.546 0.432 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.650 2.165 -1.180 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.615 -1.137 -3.589 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.949 -1.285 -1.945 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.702 -1.083 -2.181 1.00 0.00 H new ATOM 455 N VAL A 30 -3.559 2.223 -0.388 1.00 0.00 N ATOM 456 CA VAL A 30 -2.097 2.369 -0.531 1.00 0.00 C ATOM 457 C VAL A 30 -1.563 1.129 0.074 1.00 0.00 C ATOM 458 O VAL A 30 -1.870 0.712 1.156 1.00 0.00 O ATOM 459 CB VAL A 30 -1.491 3.648 0.122 1.00 0.00 C ATOM 460 CG1 VAL A 30 0.050 3.909 -0.143 1.00 0.00 C ATOM 461 CG2 VAL A 30 -2.323 4.939 -0.152 1.00 0.00 C ATOM 0 H VAL A 30 -3.820 1.803 0.504 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.825 2.501 -1.578 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.561 3.409 1.183 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.356 4.826 0.361 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.632 3.072 0.242 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.223 4.009 -1.214 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.844 5.790 0.332 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.378 5.115 -1.226 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.330 4.815 0.247 1.00 0.00 H new ATOM 471 N VAL A 31 -0.681 0.455 -0.644 1.00 0.00 N ATOM 472 CA VAL A 31 -0.257 -0.961 -0.526 1.00 0.00 C ATOM 473 C VAL A 31 1.326 -0.932 -0.768 1.00 0.00 C ATOM 474 O VAL A 31 1.888 -0.849 -1.828 1.00 0.00 O ATOM 475 CB VAL A 31 -1.054 -2.024 -1.319 1.00 0.00 C ATOM 476 CG1 VAL A 31 -1.288 -1.700 -2.793 1.00 0.00 C ATOM 477 CG2 VAL A 31 -0.468 -3.383 -1.175 1.00 0.00 C ATOM 0 H VAL A 31 -0.184 0.918 -1.405 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.507 -1.342 0.464 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.040 -2.005 -0.855 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.855 -2.507 -3.257 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.848 -0.769 -2.876 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.328 -1.593 -3.299 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.060 -4.097 -1.748 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.556 -3.379 -1.547 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.471 -3.671 -0.124 1.00 0.00 H new ATOM 487 N ASP A 32 2.037 -1.237 0.302 1.00 0.00 N ATOM 488 CA ASP A 32 3.392 -1.816 0.355 1.00 0.00 C ATOM 489 C ASP A 32 3.467 -3.359 -0.114 1.00 0.00 C ATOM 490 O ASP A 32 2.659 -4.210 0.178 1.00 0.00 O ATOM 491 CB ASP A 32 3.861 -1.609 1.820 1.00 0.00 C ATOM 492 CG ASP A 32 5.348 -1.463 2.096 1.00 0.00 C ATOM 493 OD1 ASP A 32 5.879 -1.706 3.156 1.00 0.00 O ATOM 494 OD2 ASP A 32 6.027 -1.116 0.993 1.00 0.00 O ATOM 0 H ASP A 32 1.663 -1.078 1.238 1.00 0.00 H new ATOM 0 HA ASP A 32 4.051 -1.320 -0.358 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.365 -0.717 2.203 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.497 -2.453 2.406 1.00 0.00 H new ATOM 500 N PHE A 33 4.414 -3.682 -1.023 1.00 0.00 N ATOM 501 CA PHE A 33 4.889 -4.947 -1.658 1.00 0.00 C ATOM 502 C PHE A 33 6.342 -5.123 -1.148 1.00 0.00 C ATOM 503 O PHE A 33 7.223 -4.199 -1.531 1.00 0.00 O ATOM 504 CB PHE A 33 4.699 -4.914 -3.223 1.00 0.00 C ATOM 505 CG PHE A 33 3.237 -4.940 -3.708 1.00 0.00 C ATOM 506 CD1 PHE A 33 2.464 -6.102 -3.865 1.00 0.00 C ATOM 507 CD2 PHE A 33 2.580 -3.689 -3.918 1.00 0.00 C ATOM 508 CE1 PHE A 33 1.145 -6.034 -4.274 1.00 0.00 C ATOM 509 CE2 PHE A 33 1.268 -3.670 -4.332 1.00 0.00 C ATOM 510 CZ PHE A 33 0.506 -4.788 -4.302 1.00 0.00 C ATOM 0 H PHE A 33 4.970 -2.915 -1.401 1.00 0.00 H new ATOM 0 HA PHE A 33 4.308 -5.826 -1.381 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.178 -4.015 -3.612 1.00 0.00 H new ATOM 0 HB3 PHE A 33 5.223 -5.767 -3.654 1.00 0.00 H new ATOM 0 HD1 PHE A 33 2.908 -7.066 -3.663 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.110 -2.763 -3.753 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.615 -6.928 -4.567 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.838 -2.745 -4.688 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.572 -4.721 -4.300 1.00 0.00 H new ATOM 520 N THR A 34 6.691 -6.114 -0.309 1.00 0.00 N ATOM 521 CA THR A 34 8.014 -6.129 0.433 1.00 0.00 C ATOM 522 C THR A 34 8.137 -7.662 0.833 1.00 0.00 C ATOM 523 O THR A 34 7.151 -8.376 1.176 1.00 0.00 O ATOM 524 CB THR A 34 8.116 -5.153 1.732 1.00 0.00 C ATOM 525 OG1 THR A 34 9.419 -5.130 2.223 1.00 0.00 O ATOM 526 CG2 THR A 34 7.197 -5.613 2.884 1.00 0.00 C ATOM 0 H THR A 34 6.097 -6.920 -0.113 1.00 0.00 H new ATOM 0 HA THR A 34 8.822 -5.737 -0.185 1.00 0.00 H new ATOM 0 HB THR A 34 7.804 -4.165 1.394 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.662 -6.022 2.547 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.301 -4.930 3.727 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.161 -5.615 2.544 1.00 0.00 H new ATOM 0 HG23 THR A 34 7.479 -6.619 3.195 1.00 0.00 H new ATOM 534 N ALA A 35 9.430 -8.001 0.800 1.00 0.00 N ATOM 535 CA ALA A 35 9.884 -9.248 1.425 1.00 0.00 C ATOM 536 C ALA A 35 10.011 -9.025 2.908 1.00 0.00 C ATOM 537 O ALA A 35 10.343 -7.983 3.423 1.00 0.00 O ATOM 538 CB ALA A 35 11.219 -9.511 0.673 1.00 0.00 C ATOM 0 H ALA A 35 10.164 -7.446 0.360 1.00 0.00 H new ATOM 0 HA ALA A 35 9.224 -10.112 1.346 1.00 0.00 H new ATOM 0 HB1 ALA A 35 11.673 -10.429 1.047 1.00 0.00 H new ATOM 0 HB2 ALA A 35 11.022 -9.613 -0.394 1.00 0.00 H new ATOM 0 HB3 ALA A 35 11.900 -8.676 0.838 1.00 0.00 H new ATOM 544 N SER A 36 9.986 -10.087 3.661 1.00 0.00 N ATOM 545 CA SER A 36 10.381 -10.169 5.124 1.00 0.00 C ATOM 546 C SER A 36 11.849 -9.776 5.465 1.00 0.00 C ATOM 547 O SER A 36 12.140 -9.083 6.448 1.00 0.00 O ATOM 548 CB SER A 36 9.796 -11.514 5.644 1.00 0.00 C ATOM 549 OG SER A 36 9.948 -11.634 7.111 1.00 0.00 O ATOM 0 H SER A 36 9.681 -10.989 3.296 1.00 0.00 H new ATOM 0 HA SER A 36 9.940 -9.366 5.715 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.741 -11.581 5.379 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.301 -12.346 5.154 1.00 0.00 H new ATOM 0 HG SER A 36 9.570 -12.487 7.410 1.00 0.00 H new ATOM 555 N TRP A 37 12.757 -10.256 4.625 1.00 0.00 N ATOM 556 CA TRP A 37 14.139 -9.806 4.445 1.00 0.00 C ATOM 557 C TRP A 37 14.369 -8.400 3.792 1.00 0.00 C ATOM 558 O TRP A 37 14.902 -8.234 2.708 1.00 0.00 O ATOM 559 CB TRP A 37 14.926 -10.951 3.785 1.00 0.00 C ATOM 560 CG TRP A 37 14.470 -11.613 2.489 1.00 0.00 C ATOM 561 CD1 TRP A 37 13.465 -12.516 2.321 1.00 0.00 C ATOM 562 CD2 TRP A 37 14.852 -11.246 1.256 1.00 0.00 C ATOM 563 NE1 TRP A 37 13.203 -12.813 0.953 1.00 0.00 N ATOM 564 CE2 TRP A 37 14.018 -11.906 0.329 1.00 0.00 C ATOM 565 CE3 TRP A 37 15.868 -10.337 0.845 1.00 0.00 C ATOM 566 CZ2 TRP A 37 14.112 -11.611 -1.108 1.00 0.00 C ATOM 567 CZ3 TRP A 37 15.980 -10.169 -0.549 1.00 0.00 C ATOM 568 CH2 TRP A 37 15.095 -10.738 -1.488 1.00 0.00 C ATOM 0 H TRP A 37 12.532 -11.031 4.001 1.00 0.00 H new ATOM 0 HA TRP A 37 14.531 -9.593 5.439 1.00 0.00 H new ATOM 0 HB2 TRP A 37 15.934 -10.576 3.607 1.00 0.00 H new ATOM 0 HB3 TRP A 37 15.008 -11.743 4.529 1.00 0.00 H new ATOM 0 HD1 TRP A 37 12.922 -12.962 3.141 1.00 0.00 H new ATOM 0 HE1 TRP A 37 12.579 -13.511 0.548 1.00 0.00 H new ATOM 0 HE3 TRP A 37 16.503 -9.817 1.547 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 13.441 -12.059 -1.826 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 16.795 -9.567 -0.922 1.00 0.00 H new ATOM 0 HH2 TRP A 37 15.195 -10.479 -2.532 1.00 0.00 H new ATOM 579 N CYS A 38 14.003 -7.399 4.581 1.00 0.00 N ATOM 580 CA CYS A 38 14.030 -5.989 4.135 1.00 0.00 C ATOM 581 C CYS A 38 14.134 -5.004 5.387 1.00 0.00 C ATOM 582 O CYS A 38 13.078 -4.498 5.812 1.00 0.00 O ATOM 583 CB CYS A 38 12.861 -5.534 3.211 1.00 0.00 C ATOM 584 SG CYS A 38 13.151 -3.751 2.794 1.00 0.00 S ATOM 0 H CYS A 38 13.680 -7.526 5.540 1.00 0.00 H new ATOM 0 HA CYS A 38 14.922 -5.933 3.510 1.00 0.00 H new ATOM 0 HB2 CYS A 38 12.828 -6.140 2.306 1.00 0.00 H new ATOM 0 HB3 CYS A 38 11.902 -5.660 3.714 1.00 0.00 H new ATOM 0 HG CYS A 38 12.015 -3.177 2.527 1.00 0.00 H new ATOM 590 N PRO A 39 15.346 -4.720 5.988 1.00 0.00 N ATOM 591 CA PRO A 39 15.566 -3.663 6.975 1.00 0.00 C ATOM 592 C PRO A 39 15.106 -2.175 6.681 1.00 0.00 C ATOM 593 O PRO A 39 14.400 -1.702 7.583 1.00 0.00 O ATOM 594 CB PRO A 39 17.031 -3.783 7.346 1.00 0.00 C ATOM 595 CG PRO A 39 17.477 -5.163 6.828 1.00 0.00 C ATOM 596 CD PRO A 39 16.635 -5.438 5.610 1.00 0.00 C ATOM 0 HA PRO A 39 14.868 -3.845 7.792 1.00 0.00 H new ATOM 0 HB2 PRO A 39 17.617 -2.985 6.891 1.00 0.00 H new ATOM 0 HB3 PRO A 39 17.170 -3.705 8.424 1.00 0.00 H new ATOM 0 HG2 PRO A 39 18.538 -5.162 6.577 1.00 0.00 H new ATOM 0 HG3 PRO A 39 17.329 -5.932 7.587 1.00 0.00 H new ATOM 0 HD2 PRO A 39 17.081 -5.036 4.700 1.00 0.00 H new ATOM 0 HD3 PRO A 39 16.481 -6.505 5.446 1.00 0.00 H new ATOM 604 N PRO A 40 15.248 -1.543 5.480 1.00 0.00 N ATOM 605 CA PRO A 40 14.534 -0.346 5.048 1.00 0.00 C ATOM 606 C PRO A 40 12.987 -0.292 5.186 1.00 0.00 C ATOM 607 O PRO A 40 12.468 0.735 5.643 1.00 0.00 O ATOM 608 CB PRO A 40 15.018 -0.090 3.618 1.00 0.00 C ATOM 609 CG PRO A 40 16.344 -0.836 3.499 1.00 0.00 C ATOM 610 CD PRO A 40 16.198 -1.996 4.401 1.00 0.00 C ATOM 0 HA PRO A 40 14.778 0.448 5.753 1.00 0.00 H new ATOM 0 HB2 PRO A 40 14.295 -0.454 2.888 1.00 0.00 H new ATOM 0 HB3 PRO A 40 15.149 0.976 3.433 1.00 0.00 H new ATOM 0 HG2 PRO A 40 16.531 -1.152 2.473 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.182 -0.205 3.796 1.00 0.00 H new ATOM 0 HD2 PRO A 40 15.804 -2.862 3.868 1.00 0.00 H new ATOM 0 HD3 PRO A 40 17.159 -2.291 4.822 1.00 0.00 H new ATOM 618 N CYS A 41 12.276 -1.365 4.811 1.00 0.00 N ATOM 619 CA CYS A 41 10.885 -1.706 5.129 1.00 0.00 C ATOM 620 C CYS A 41 10.472 -2.282 6.516 1.00 0.00 C ATOM 621 O CYS A 41 9.327 -2.147 6.806 1.00 0.00 O ATOM 622 CB CYS A 41 10.276 -2.448 3.898 1.00 0.00 C ATOM 623 SG CYS A 41 10.473 -1.475 2.371 1.00 0.00 S ATOM 0 H CYS A 41 12.701 -2.082 4.223 1.00 0.00 H new ATOM 0 HA CYS A 41 10.422 -0.736 5.311 1.00 0.00 H new ATOM 0 HB2 CYS A 41 10.761 -3.417 3.779 1.00 0.00 H new ATOM 0 HB3 CYS A 41 9.218 -2.641 4.074 1.00 0.00 H new ATOM 0 HG CYS A 41 9.492 -1.738 1.559 1.00 0.00 H new ATOM 629 N LYS A 42 11.322 -2.905 7.339 1.00 0.00 N ATOM 630 CA LYS A 42 11.144 -3.101 8.809 1.00 0.00 C ATOM 631 C LYS A 42 10.993 -1.806 9.619 1.00 0.00 C ATOM 632 O LYS A 42 10.034 -1.763 10.367 1.00 0.00 O ATOM 633 CB LYS A 42 12.231 -4.043 9.383 1.00 0.00 C ATOM 634 CG LYS A 42 12.072 -4.473 10.840 1.00 0.00 C ATOM 635 CD LYS A 42 12.809 -5.746 11.242 1.00 0.00 C ATOM 636 CE LYS A 42 12.985 -6.073 12.736 1.00 0.00 C ATOM 637 NZ LYS A 42 11.816 -6.743 13.308 1.00 0.00 N ATOM 0 H LYS A 42 12.195 -3.309 6.999 1.00 0.00 H new ATOM 0 HA LYS A 42 10.177 -3.591 8.924 1.00 0.00 H new ATOM 0 HB2 LYS A 42 12.263 -4.941 8.766 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.197 -3.550 9.278 1.00 0.00 H new ATOM 0 HG2 LYS A 42 12.417 -3.660 11.479 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.010 -4.611 11.044 1.00 0.00 H new ATOM 0 HD2 LYS A 42 12.288 -6.586 10.782 1.00 0.00 H new ATOM 0 HD3 LYS A 42 13.803 -5.704 10.796 1.00 0.00 H new ATOM 0 HE2 LYS A 42 13.862 -6.708 12.864 1.00 0.00 H new ATOM 0 HE3 LYS A 42 13.176 -5.151 13.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 11.987 -6.940 14.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.982 -6.129 13.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 11.647 -7.637 12.804 1.00 0.00 H new ATOM 650 N MET A 43 11.778 -0.681 9.413 1.00 0.00 N ATOM 651 CA MET A 43 11.359 0.711 9.712 1.00 0.00 C ATOM 652 C MET A 43 10.149 1.374 8.999 1.00 0.00 C ATOM 653 O MET A 43 9.385 2.112 9.640 1.00 0.00 O ATOM 654 CB MET A 43 12.664 1.586 9.781 1.00 0.00 C ATOM 655 CG MET A 43 13.479 1.872 8.492 1.00 0.00 C ATOM 656 SD MET A 43 14.845 3.052 8.765 1.00 0.00 S ATOM 657 CE MET A 43 15.584 3.151 7.103 1.00 0.00 C ATOM 0 H MET A 43 12.722 -0.738 9.031 1.00 0.00 H new ATOM 0 HA MET A 43 10.842 0.641 10.669 1.00 0.00 H new ATOM 0 HB2 MET A 43 12.385 2.549 10.208 1.00 0.00 H new ATOM 0 HB3 MET A 43 13.338 1.106 10.490 1.00 0.00 H new ATOM 0 HG2 MET A 43 13.885 0.936 8.109 1.00 0.00 H new ATOM 0 HG3 MET A 43 12.812 2.267 7.726 1.00 0.00 H new ATOM 0 HE1 MET A 43 16.397 3.877 7.109 1.00 0.00 H new ATOM 0 HE2 MET A 43 15.973 2.173 6.819 1.00 0.00 H new ATOM 0 HE3 MET A 43 14.825 3.462 6.385 1.00 0.00 H new ATOM 667 N ILE A 44 9.922 1.124 7.696 1.00 0.00 N ATOM 668 CA ILE A 44 8.682 1.497 6.928 1.00 0.00 C ATOM 669 C ILE A 44 7.324 0.938 7.369 1.00 0.00 C ATOM 670 O ILE A 44 6.356 1.698 7.166 1.00 0.00 O ATOM 671 CB ILE A 44 8.977 1.492 5.393 1.00 0.00 C ATOM 672 CG1 ILE A 44 8.751 2.902 4.800 1.00 0.00 C ATOM 673 CG2 ILE A 44 8.242 0.420 4.616 1.00 0.00 C ATOM 674 CD1 ILE A 44 9.759 4.016 5.235 1.00 0.00 C ATOM 0 H ILE A 44 10.608 0.642 7.115 1.00 0.00 H new ATOM 0 HA ILE A 44 8.471 2.521 7.235 1.00 0.00 H new ATOM 0 HB ILE A 44 10.028 1.226 5.284 1.00 0.00 H new ATOM 0 HG12 ILE A 44 8.779 2.823 3.713 1.00 0.00 H new ATOM 0 HG13 ILE A 44 7.746 3.228 5.070 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.506 0.490 3.561 1.00 0.00 H new ATOM 0 HG22 ILE A 44 8.523 -0.562 4.996 1.00 0.00 H new ATOM 0 HG23 ILE A 44 7.167 0.559 4.731 1.00 0.00 H new ATOM 0 HD11 ILE A 44 9.493 4.956 4.752 1.00 0.00 H new ATOM 0 HD12 ILE A 44 9.719 4.140 6.317 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.768 3.729 4.940 1.00 0.00 H new ATOM 686 N ALA A 45 7.261 -0.301 7.947 1.00 0.00 N ATOM 687 CA ALA A 45 6.072 -0.790 8.638 1.00 0.00 C ATOM 688 C ALA A 45 5.462 0.172 9.676 1.00 0.00 C ATOM 689 O ALA A 45 4.403 0.630 9.423 1.00 0.00 O ATOM 690 CB ALA A 45 6.316 -2.241 9.057 1.00 0.00 C ATOM 0 H ALA A 45 8.035 -0.965 7.936 1.00 0.00 H new ATOM 0 HA ALA A 45 5.229 -0.806 7.947 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.436 -2.623 9.575 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.508 -2.848 8.172 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.178 -2.288 9.722 1.00 0.00 H new ATOM 696 N PRO A 46 6.170 0.624 10.752 1.00 0.00 N ATOM 697 CA PRO A 46 5.854 1.874 11.554 1.00 0.00 C ATOM 698 C PRO A 46 5.654 3.273 10.935 1.00 0.00 C ATOM 699 O PRO A 46 4.759 4.017 11.368 1.00 0.00 O ATOM 700 CB PRO A 46 6.985 1.865 12.661 1.00 0.00 C ATOM 701 CG PRO A 46 7.433 0.371 12.783 1.00 0.00 C ATOM 702 CD PRO A 46 7.297 -0.152 11.335 1.00 0.00 C ATOM 0 HA PRO A 46 4.812 1.772 11.856 1.00 0.00 H new ATOM 0 HB2 PRO A 46 7.820 2.504 12.375 1.00 0.00 H new ATOM 0 HB3 PRO A 46 6.607 2.241 13.612 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.456 0.285 13.149 1.00 0.00 H new ATOM 0 HG3 PRO A 46 6.800 -0.185 13.474 1.00 0.00 H new ATOM 0 HD2 PRO A 46 8.217 0.003 10.771 1.00 0.00 H new ATOM 0 HD3 PRO A 46 7.090 -1.222 11.319 1.00 0.00 H new ATOM 710 N ILE A 47 6.454 3.722 9.895 1.00 0.00 N ATOM 711 CA ILE A 47 6.092 4.924 9.076 1.00 0.00 C ATOM 712 C ILE A 47 4.645 4.904 8.474 1.00 0.00 C ATOM 713 O ILE A 47 3.854 5.787 8.747 1.00 0.00 O ATOM 714 CB ILE A 47 7.199 5.343 8.035 1.00 0.00 C ATOM 715 CG1 ILE A 47 8.608 5.586 8.703 1.00 0.00 C ATOM 716 CG2 ILE A 47 6.908 6.690 7.271 1.00 0.00 C ATOM 717 CD1 ILE A 47 8.645 6.589 9.862 1.00 0.00 C ATOM 0 H ILE A 47 7.328 3.275 9.619 1.00 0.00 H new ATOM 0 HA ILE A 47 6.062 5.731 9.808 1.00 0.00 H new ATOM 0 HB ILE A 47 7.192 4.494 7.351 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.984 4.630 9.066 1.00 0.00 H new ATOM 0 HG13 ILE A 47 9.298 5.928 7.932 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.722 6.898 6.577 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.973 6.600 6.717 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.827 7.506 7.990 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.664 6.672 10.239 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.308 7.564 9.510 1.00 0.00 H new ATOM 0 HD13 ILE A 47 7.989 6.245 10.662 1.00 0.00 H new ATOM 729 N PHE A 48 4.354 3.844 7.707 1.00 0.00 N ATOM 730 CA PHE A 48 3.030 3.462 7.217 1.00 0.00 C ATOM 731 C PHE A 48 1.872 3.485 8.280 1.00 0.00 C ATOM 732 O PHE A 48 0.843 4.027 7.939 1.00 0.00 O ATOM 733 CB PHE A 48 3.242 2.079 6.530 1.00 0.00 C ATOM 734 CG PHE A 48 2.180 1.627 5.458 1.00 0.00 C ATOM 735 CD1 PHE A 48 2.209 2.281 4.231 1.00 0.00 C ATOM 736 CD2 PHE A 48 1.554 0.378 5.579 1.00 0.00 C ATOM 737 CE1 PHE A 48 1.514 1.799 3.183 1.00 0.00 C ATOM 738 CE2 PHE A 48 0.892 -0.153 4.498 1.00 0.00 C ATOM 739 CZ PHE A 48 0.797 0.614 3.319 1.00 0.00 C ATOM 0 H PHE A 48 5.079 3.197 7.397 1.00 0.00 H new ATOM 0 HA PHE A 48 2.657 4.211 6.518 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.221 2.089 6.050 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.277 1.318 7.310 1.00 0.00 H new ATOM 0 HD1 PHE A 48 2.793 3.182 4.118 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.592 -0.162 6.514 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.513 2.329 2.242 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.453 -1.138 4.551 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.161 0.279 2.513 1.00 0.00 H new ATOM 749 N ALA A 49 2.059 2.980 9.486 1.00 0.00 N ATOM 750 CA ALA A 49 1.221 3.154 10.688 1.00 0.00 C ATOM 751 C ALA A 49 1.070 4.576 11.291 1.00 0.00 C ATOM 752 O ALA A 49 -0.045 4.991 11.540 1.00 0.00 O ATOM 753 CB ALA A 49 1.565 2.101 11.815 1.00 0.00 C ATOM 0 H ALA A 49 2.865 2.386 9.680 1.00 0.00 H new ATOM 0 HA ALA A 49 0.230 2.964 10.275 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.922 2.270 12.679 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.403 1.093 11.433 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.608 2.213 12.111 1.00 0.00 H new ATOM 759 N GLU A 50 2.139 5.252 11.551 1.00 0.00 N ATOM 760 CA GLU A 50 2.141 6.734 11.913 1.00 0.00 C ATOM 761 C GLU A 50 1.380 7.638 10.935 1.00 0.00 C ATOM 762 O GLU A 50 0.394 8.318 11.299 1.00 0.00 O ATOM 763 CB GLU A 50 3.610 7.017 12.309 1.00 0.00 C ATOM 764 CG GLU A 50 3.859 8.398 12.935 1.00 0.00 C ATOM 765 CD GLU A 50 5.347 8.660 13.279 1.00 0.00 C ATOM 766 OE1 GLU A 50 6.166 9.170 12.567 1.00 0.00 O ATOM 767 OE2 GLU A 50 5.600 8.219 14.490 1.00 0.00 O ATOM 0 H GLU A 50 3.072 4.839 11.533 1.00 0.00 H new ATOM 0 HA GLU A 50 1.519 7.008 12.765 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.935 6.251 13.014 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.235 6.919 11.422 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.512 9.168 12.246 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.263 8.490 13.843 1.00 0.00 H new ATOM 775 N LEU A 51 1.824 7.642 9.681 1.00 0.00 N ATOM 776 CA LEU A 51 1.162 8.233 8.545 1.00 0.00 C ATOM 777 C LEU A 51 -0.379 7.822 8.417 1.00 0.00 C ATOM 778 O LEU A 51 -1.185 8.736 8.263 1.00 0.00 O ATOM 779 CB LEU A 51 2.057 7.847 7.358 1.00 0.00 C ATOM 780 CG LEU A 51 1.651 8.206 5.884 1.00 0.00 C ATOM 781 CD1 LEU A 51 0.833 7.100 5.299 1.00 0.00 C ATOM 782 CD2 LEU A 51 1.025 9.561 5.748 1.00 0.00 C ATOM 0 H LEU A 51 2.709 7.204 9.427 1.00 0.00 H new ATOM 0 HA LEU A 51 1.069 9.316 8.621 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.034 8.295 7.537 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.190 6.766 7.397 1.00 0.00 H new ATOM 0 HG LEU A 51 2.564 8.289 5.294 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.554 7.355 4.277 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.415 6.178 5.297 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.068 6.959 5.896 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.770 9.741 4.704 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.121 9.607 6.355 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.728 10.322 6.086 1.00 0.00 H new ATOM 794 N ALA A 52 -0.737 6.523 8.443 1.00 0.00 N ATOM 795 CA ALA A 52 -2.115 6.038 8.492 1.00 0.00 C ATOM 796 C ALA A 52 -2.983 6.744 9.587 1.00 0.00 C ATOM 797 O ALA A 52 -4.172 6.964 9.344 1.00 0.00 O ATOM 798 CB ALA A 52 -2.112 4.487 8.709 1.00 0.00 C ATOM 0 H ALA A 52 -0.051 5.768 8.430 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.578 6.284 7.537 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.139 4.123 8.746 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.586 4.005 7.885 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.610 4.252 9.647 1.00 0.00 H new ATOM 804 N LYS A 53 -2.488 6.861 10.873 1.00 0.00 N ATOM 805 CA LYS A 53 -3.115 7.704 11.931 1.00 0.00 C ATOM 806 C LYS A 53 -3.342 9.223 11.490 1.00 0.00 C ATOM 807 O LYS A 53 -4.360 9.728 11.850 1.00 0.00 O ATOM 808 CB LYS A 53 -2.429 7.567 13.289 1.00 0.00 C ATOM 809 CG LYS A 53 -2.418 6.234 14.085 1.00 0.00 C ATOM 810 CD LYS A 53 -1.680 6.234 15.405 1.00 0.00 C ATOM 811 CE LYS A 53 -0.192 6.674 15.365 1.00 0.00 C ATOM 812 NZ LYS A 53 0.338 6.661 16.781 1.00 0.00 N ATOM 0 H LYS A 53 -1.650 6.373 11.189 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.117 7.297 12.064 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.387 7.852 13.143 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.876 8.317 13.942 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.451 5.942 14.273 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.980 5.463 13.451 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.212 6.891 16.093 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.728 5.228 15.823 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.388 6.000 14.735 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.101 7.671 14.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.336 6.953 16.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.215 7.320 17.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.258 5.701 17.173 1.00 0.00 H new ATOM 825 N LYS A 54 -2.267 9.854 10.907 1.00 0.00 N ATOM 826 CA LYS A 54 -2.173 11.251 10.340 1.00 0.00 C ATOM 827 C LYS A 54 -3.253 11.532 9.212 1.00 0.00 C ATOM 828 O LYS A 54 -3.520 12.654 8.853 1.00 0.00 O ATOM 829 CB LYS A 54 -0.677 11.473 9.845 1.00 0.00 C ATOM 830 CG LYS A 54 -0.291 12.944 9.430 1.00 0.00 C ATOM 831 CD LYS A 54 1.156 12.937 8.865 1.00 0.00 C ATOM 832 CE LYS A 54 2.329 12.655 9.849 1.00 0.00 C ATOM 833 NZ LYS A 54 3.440 11.975 9.148 1.00 0.00 N ATOM 0 H LYS A 54 -1.377 9.365 10.813 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.409 11.980 11.115 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.003 11.153 10.639 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.498 10.818 8.992 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.988 13.321 8.681 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.358 13.610 10.291 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.200 12.191 8.072 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.337 13.906 8.401 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.682 13.591 10.281 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.978 12.035 10.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.214 11.794 9.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.103 11.072 8.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.785 12.580 8.376 1.00 0.00 H new ATOM 846 N PHE A 55 -3.752 10.459 8.506 1.00 0.00 N ATOM 847 CA PHE A 55 -4.428 10.433 7.235 1.00 0.00 C ATOM 848 C PHE A 55 -5.686 9.400 7.397 1.00 0.00 C ATOM 849 O PHE A 55 -5.397 8.216 7.200 1.00 0.00 O ATOM 850 CB PHE A 55 -3.400 10.088 6.149 1.00 0.00 C ATOM 851 CG PHE A 55 -2.704 11.228 5.440 1.00 0.00 C ATOM 852 CD1 PHE A 55 -3.330 12.036 4.491 1.00 0.00 C ATOM 853 CD2 PHE A 55 -1.447 11.590 5.952 1.00 0.00 C ATOM 854 CE1 PHE A 55 -2.711 13.222 4.102 1.00 0.00 C ATOM 855 CE2 PHE A 55 -0.870 12.788 5.558 1.00 0.00 C ATOM 856 CZ PHE A 55 -1.477 13.627 4.649 1.00 0.00 C ATOM 0 H PHE A 55 -3.662 9.516 8.884 1.00 0.00 H new ATOM 0 HA PHE A 55 -4.850 11.388 6.923 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -2.633 9.460 6.603 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.902 9.483 5.394 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.279 11.747 4.065 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.934 10.941 6.646 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.189 13.847 3.362 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.084 13.072 5.976 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.022 14.564 4.365 1.00 0.00 H new ATOM 866 N PRO A 56 -6.982 9.764 7.607 1.00 0.00 N ATOM 867 CA PRO A 56 -8.214 8.962 7.705 1.00 0.00 C ATOM 868 C PRO A 56 -9.041 8.434 6.502 1.00 0.00 C ATOM 869 O PRO A 56 -9.787 7.498 6.651 1.00 0.00 O ATOM 870 CB PRO A 56 -9.114 9.702 8.692 1.00 0.00 C ATOM 871 CG PRO A 56 -8.811 11.172 8.311 1.00 0.00 C ATOM 872 CD PRO A 56 -7.342 11.179 7.975 1.00 0.00 C ATOM 0 HA PRO A 56 -7.810 7.988 7.981 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.166 9.449 8.562 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -8.859 9.482 9.729 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.414 11.494 7.462 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -9.033 11.850 9.135 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.136 11.859 7.149 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -6.751 11.521 8.825 1.00 0.00 H new ATOM 880 N ASN A 57 -9.016 9.130 5.323 1.00 0.00 N ATOM 881 CA ASN A 57 -9.687 8.741 3.985 1.00 0.00 C ATOM 882 C ASN A 57 -9.202 7.383 3.298 1.00 0.00 C ATOM 883 O ASN A 57 -9.546 7.187 2.098 1.00 0.00 O ATOM 884 CB ASN A 57 -9.892 10.027 3.129 1.00 0.00 C ATOM 885 CG ASN A 57 -8.574 10.492 2.509 1.00 0.00 C ATOM 886 OD1 ASN A 57 -7.906 11.503 3.169 1.00 0.00 O flip ATOM 887 ND2 ASN A 57 -7.949 9.950 1.569 1.00 0.00 N flip ATOM 0 H ASN A 57 -8.515 10.015 5.248 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.692 8.365 4.175 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -10.619 9.831 2.341 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -10.304 10.821 3.752 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -8.382 9.195 1.037 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.007 10.263 1.335 1.00 0.00 H new ATOM 894 N VAL A 58 -8.329 6.662 3.948 1.00 0.00 N ATOM 895 CA VAL A 58 -7.349 5.828 3.224 1.00 0.00 C ATOM 896 C VAL A 58 -7.079 4.581 4.007 1.00 0.00 C ATOM 897 O VAL A 58 -6.681 4.620 5.191 1.00 0.00 O ATOM 898 CB VAL A 58 -6.185 6.777 2.878 1.00 0.00 C ATOM 899 CG1 VAL A 58 -5.520 7.541 3.986 1.00 0.00 C ATOM 900 CG2 VAL A 58 -5.151 6.081 2.078 1.00 0.00 C ATOM 0 H VAL A 58 -8.259 6.620 4.965 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.677 5.409 2.273 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.703 7.551 2.311 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.724 8.161 3.574 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.254 8.176 4.482 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.099 6.842 4.708 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.342 6.774 1.848 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.757 5.239 2.647 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.592 5.718 1.150 1.00 0.00 H new ATOM 910 N THR A 59 -7.464 3.445 3.366 1.00 0.00 N ATOM 911 CA THR A 59 -7.059 2.083 3.772 1.00 0.00 C ATOM 912 C THR A 59 -5.523 1.858 3.451 1.00 0.00 C ATOM 913 O THR A 59 -4.884 2.412 2.550 1.00 0.00 O ATOM 914 CB THR A 59 -8.066 0.996 3.166 1.00 0.00 C ATOM 915 OG1 THR A 59 -9.416 1.171 3.514 1.00 0.00 O ATOM 916 CG2 THR A 59 -7.724 -0.482 3.496 1.00 0.00 C ATOM 0 H THR A 59 -8.070 3.456 2.546 1.00 0.00 H new ATOM 0 HA THR A 59 -7.142 1.956 4.851 1.00 0.00 H new ATOM 0 HB THR A 59 -7.925 1.184 2.102 1.00 0.00 H new ATOM 0 HG1 THR A 59 -9.955 0.465 3.099 1.00 0.00 H new ATOM 0 HG21 THR A 59 -8.466 -1.138 3.040 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.736 -0.723 3.103 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.730 -0.624 4.577 1.00 0.00 H new ATOM 924 N PHE A 60 -4.954 0.902 4.179 1.00 0.00 N ATOM 925 CA PHE A 60 -3.504 0.485 4.193 1.00 0.00 C ATOM 926 C PHE A 60 -3.436 -1.058 4.396 1.00 0.00 C ATOM 927 O PHE A 60 -4.169 -1.646 5.159 1.00 0.00 O ATOM 928 CB PHE A 60 -2.659 1.186 5.283 1.00 0.00 C ATOM 929 CG PHE A 60 -2.655 2.733 5.128 1.00 0.00 C ATOM 930 CD1 PHE A 60 -1.679 3.329 4.323 1.00 0.00 C ATOM 931 CD2 PHE A 60 -3.593 3.527 5.733 1.00 0.00 C ATOM 932 CE1 PHE A 60 -1.553 4.725 4.208 1.00 0.00 C ATOM 933 CE2 PHE A 60 -3.515 4.922 5.614 1.00 0.00 C ATOM 934 CZ PHE A 60 -2.481 5.528 4.890 1.00 0.00 C ATOM 0 H PHE A 60 -5.508 0.343 4.828 1.00 0.00 H new ATOM 0 HA PHE A 60 -3.075 0.787 3.238 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -3.050 0.923 6.266 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -1.634 0.817 5.238 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.000 2.696 3.771 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -4.394 3.078 6.302 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -0.767 5.166 3.613 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -4.264 5.539 6.088 1.00 0.00 H new ATOM 0 HZ PHE A 60 -2.398 6.604 4.856 1.00 0.00 H new ATOM 944 N LEU A 61 -2.540 -1.620 3.593 1.00 0.00 N ATOM 945 CA LEU A 61 -2.392 -3.047 3.511 1.00 0.00 C ATOM 946 C LEU A 61 -0.945 -3.404 2.983 1.00 0.00 C ATOM 947 O LEU A 61 -0.250 -2.648 2.290 1.00 0.00 O ATOM 948 CB LEU A 61 -3.697 -3.691 2.699 1.00 0.00 C ATOM 949 CG LEU A 61 -3.711 -3.771 1.102 1.00 0.00 C ATOM 950 CD1 LEU A 61 -2.941 -4.952 0.595 1.00 0.00 C ATOM 951 CD2 LEU A 61 -5.173 -3.817 0.562 1.00 0.00 C ATOM 0 H LEU A 61 -1.906 -1.095 2.990 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.429 -3.533 4.486 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.837 -4.706 3.071 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.575 -3.118 2.998 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.223 -2.869 0.733 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.976 -4.969 -0.494 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.904 -4.879 0.924 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.382 -5.869 0.986 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.157 -3.871 -0.527 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.681 -4.695 0.962 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.704 -2.917 0.873 1.00 0.00 H new ATOM 963 N LYS A 62 -0.496 -4.646 3.317 1.00 0.00 N ATOM 964 CA LYS A 62 0.944 -5.048 3.302 1.00 0.00 C ATOM 965 C LYS A 62 0.938 -6.518 2.822 1.00 0.00 C ATOM 966 O LYS A 62 0.397 -7.424 3.468 1.00 0.00 O ATOM 967 CB LYS A 62 1.780 -4.635 4.519 1.00 0.00 C ATOM 968 CG LYS A 62 1.586 -5.352 5.867 1.00 0.00 C ATOM 969 CD LYS A 62 2.693 -4.893 6.845 1.00 0.00 C ATOM 970 CE LYS A 62 2.245 -5.221 8.267 1.00 0.00 C ATOM 971 NZ LYS A 62 3.193 -4.626 9.243 1.00 0.00 N ATOM 0 H LYS A 62 -1.121 -5.399 3.605 1.00 0.00 H new ATOM 0 HA LYS A 62 1.542 -4.464 2.603 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.829 -4.743 4.243 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.602 -3.573 4.689 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.602 -5.123 6.277 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.630 -6.432 5.729 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.633 -5.396 6.618 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.871 -3.823 6.741 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.241 -4.835 8.440 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.199 -6.301 8.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.883 -4.852 10.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.144 -5.015 9.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.216 -3.594 9.120 1.00 0.00 H new ATOM 984 N VAL A 63 1.409 -6.710 1.579 1.00 0.00 N ATOM 985 CA VAL A 63 1.620 -7.987 0.872 1.00 0.00 C ATOM 986 C VAL A 63 3.044 -8.486 1.201 1.00 0.00 C ATOM 987 O VAL A 63 4.085 -7.866 0.977 1.00 0.00 O ATOM 988 CB VAL A 63 1.251 -7.796 -0.643 1.00 0.00 C ATOM 989 CG1 VAL A 63 1.444 -9.099 -1.430 1.00 0.00 C ATOM 990 CG2 VAL A 63 -0.212 -7.317 -0.800 1.00 0.00 C ATOM 0 H VAL A 63 1.673 -5.916 0.996 1.00 0.00 H new ATOM 0 HA VAL A 63 0.962 -8.791 1.201 1.00 0.00 H new ATOM 0 HB VAL A 63 1.922 -7.037 -1.045 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.181 -8.935 -2.475 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.485 -9.414 -1.363 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.803 -9.875 -1.012 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.442 -7.192 -1.858 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.885 -8.056 -0.367 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.340 -6.364 -0.286 1.00 0.00 H new ATOM 1000 N ASP A 64 3.007 -9.718 1.692 1.00 0.00 N ATOM 1001 CA ASP A 64 4.119 -10.666 1.835 1.00 0.00 C ATOM 1002 C ASP A 64 4.315 -11.232 0.403 1.00 0.00 C ATOM 1003 O ASP A 64 3.789 -12.300 0.001 1.00 0.00 O ATOM 1004 CB ASP A 64 3.899 -11.723 2.914 1.00 0.00 C ATOM 1005 CG ASP A 64 5.177 -12.490 3.101 1.00 0.00 C ATOM 1006 OD1 ASP A 64 5.289 -13.672 2.740 1.00 0.00 O ATOM 1007 OD2 ASP A 64 6.211 -11.789 3.685 1.00 0.00 O ATOM 0 H ASP A 64 2.131 -10.118 2.029 1.00 0.00 H new ATOM 0 HA ASP A 64 5.026 -10.185 2.201 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.600 -11.251 3.850 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.092 -12.397 2.625 1.00 0.00 H new ATOM 1013 N VAL A 65 5.207 -10.514 -0.323 1.00 0.00 N ATOM 1014 CA VAL A 65 5.721 -11.016 -1.621 1.00 0.00 C ATOM 1015 C VAL A 65 6.171 -12.542 -1.795 1.00 0.00 C ATOM 1016 O VAL A 65 6.002 -13.108 -2.876 1.00 0.00 O ATOM 1017 CB VAL A 65 6.882 -9.998 -2.144 1.00 0.00 C ATOM 1018 CG1 VAL A 65 8.341 -10.498 -1.818 1.00 0.00 C ATOM 1019 CG2 VAL A 65 6.775 -9.826 -3.681 1.00 0.00 C ATOM 0 H VAL A 65 5.578 -9.607 -0.041 1.00 0.00 H new ATOM 0 HA VAL A 65 4.823 -11.029 -2.239 1.00 0.00 H new ATOM 0 HB VAL A 65 6.718 -9.057 -1.619 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.066 -9.775 -2.193 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.457 -10.602 -0.739 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.510 -11.463 -2.296 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.553 -9.145 -4.026 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.900 -10.795 -4.165 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.797 -9.417 -3.934 1.00 0.00 H new ATOM 1029 N ASP A 66 6.910 -13.081 -0.734 1.00 0.00 N ATOM 1030 CA ASP A 66 7.277 -14.479 -0.677 1.00 0.00 C ATOM 1031 C ASP A 66 6.031 -15.500 -0.964 1.00 0.00 C ATOM 1032 O ASP A 66 6.106 -16.417 -1.761 1.00 0.00 O ATOM 1033 CB ASP A 66 8.103 -14.778 0.582 1.00 0.00 C ATOM 1034 CG ASP A 66 9.562 -14.216 0.582 1.00 0.00 C ATOM 1035 OD1 ASP A 66 10.604 -14.850 0.676 1.00 0.00 O ATOM 1036 OD2 ASP A 66 9.562 -12.815 0.676 1.00 0.00 O ATOM 0 H ASP A 66 7.236 -12.533 0.062 1.00 0.00 H new ATOM 0 HA ASP A 66 7.940 -14.684 -1.518 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.576 -14.372 1.445 1.00 0.00 H new ATOM 0 HB3 ASP A 66 8.149 -15.859 0.716 1.00 0.00 H new ATOM 1042 N GLU A 67 4.840 -15.200 -0.325 1.00 0.00 N ATOM 1043 CA GLU A 67 3.514 -15.706 -0.685 1.00 0.00 C ATOM 1044 C GLU A 67 2.935 -15.341 -2.118 1.00 0.00 C ATOM 1045 O GLU A 67 2.154 -16.140 -2.597 1.00 0.00 O ATOM 1046 CB GLU A 67 2.455 -15.532 0.445 1.00 0.00 C ATOM 1047 CG GLU A 67 2.300 -16.530 1.608 1.00 0.00 C ATOM 1048 CD GLU A 67 3.427 -16.719 2.576 1.00 0.00 C ATOM 1049 OE1 GLU A 67 3.336 -16.357 3.759 1.00 0.00 O ATOM 1050 OE2 GLU A 67 4.437 -17.435 2.025 1.00 0.00 O ATOM 0 H GLU A 67 4.809 -14.574 0.480 1.00 0.00 H new ATOM 0 HA GLU A 67 3.728 -16.769 -0.791 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.641 -14.557 0.896 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.484 -15.476 -0.047 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.424 -16.228 2.182 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.076 -17.504 1.174 1.00 0.00 H new ATOM 1058 N LEU A 68 3.158 -14.107 -2.592 1.00 0.00 N ATOM 1059 CA LEU A 68 2.394 -13.393 -3.678 1.00 0.00 C ATOM 1060 C LEU A 68 3.308 -12.458 -4.662 1.00 0.00 C ATOM 1061 O LEU A 68 3.108 -11.284 -4.921 1.00 0.00 O ATOM 1062 CB LEU A 68 1.224 -12.488 -3.084 1.00 0.00 C ATOM 1063 CG LEU A 68 -0.095 -13.138 -2.532 1.00 0.00 C ATOM 1064 CD1 LEU A 68 -1.064 -12.169 -1.881 1.00 0.00 C ATOM 1065 CD2 LEU A 68 -0.967 -13.906 -3.599 1.00 0.00 C ATOM 0 H LEU A 68 3.913 -13.531 -2.221 1.00 0.00 H new ATOM 0 HA LEU A 68 1.989 -14.207 -4.279 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.654 -11.900 -2.274 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.932 -11.787 -3.867 1.00 0.00 H new ATOM 0 HG LEU A 68 0.333 -13.826 -1.803 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.942 -12.712 -1.532 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.579 -11.682 -1.035 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.368 -11.415 -2.607 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.854 -14.317 -3.116 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.269 -13.216 -4.387 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.381 -14.717 -4.032 1.00 0.00 H new ATOM 1077 N LYS A 69 4.275 -13.194 -5.227 1.00 0.00 N ATOM 1078 CA LYS A 69 5.229 -12.800 -6.302 1.00 0.00 C ATOM 1079 C LYS A 69 4.624 -12.580 -7.704 1.00 0.00 C ATOM 1080 O LYS A 69 4.980 -11.581 -8.242 1.00 0.00 O ATOM 1081 CB LYS A 69 6.533 -13.574 -6.269 1.00 0.00 C ATOM 1082 CG LYS A 69 6.472 -15.040 -6.745 1.00 0.00 C ATOM 1083 CD LYS A 69 7.860 -15.767 -6.976 1.00 0.00 C ATOM 1084 CE LYS A 69 7.846 -17.325 -6.899 1.00 0.00 C ATOM 1085 NZ LYS A 69 9.230 -17.913 -6.898 1.00 0.00 N ATOM 0 H LYS A 69 4.432 -14.157 -4.929 1.00 0.00 H new ATOM 0 HA LYS A 69 5.507 -11.781 -6.035 1.00 0.00 H new ATOM 0 HB2 LYS A 69 7.260 -13.045 -6.885 1.00 0.00 H new ATOM 0 HB3 LYS A 69 6.912 -13.562 -5.247 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.905 -15.613 -6.012 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.911 -15.072 -7.679 1.00 0.00 H new ATOM 0 HD2 LYS A 69 8.239 -15.476 -7.956 1.00 0.00 H new ATOM 0 HD3 LYS A 69 8.569 -15.394 -6.236 1.00 0.00 H new ATOM 0 HE2 LYS A 69 7.322 -17.636 -5.996 1.00 0.00 H new ATOM 0 HE3 LYS A 69 7.286 -17.723 -7.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 9.167 -18.950 -6.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 9.724 -17.640 -7.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 9.758 -17.557 -6.076 1.00 0.00 H new ATOM 1098 N ALA A 70 3.864 -13.542 -8.227 1.00 0.00 N ATOM 1099 CA ALA A 70 3.101 -13.464 -9.552 1.00 0.00 C ATOM 1100 C ALA A 70 2.190 -12.166 -9.816 1.00 0.00 C ATOM 1101 O ALA A 70 2.559 -11.243 -10.601 1.00 0.00 O ATOM 1102 CB ALA A 70 2.303 -14.778 -9.938 1.00 0.00 C ATOM 0 H ALA A 70 3.734 -14.438 -7.757 1.00 0.00 H new ATOM 0 HA ALA A 70 3.948 -13.357 -10.230 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.795 -14.628 -10.891 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.998 -15.613 -10.025 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.567 -14.997 -9.165 1.00 0.00 H new ATOM 1108 N VAL A 71 1.115 -12.026 -9.018 1.00 0.00 N ATOM 1109 CA VAL A 71 0.356 -10.744 -8.854 1.00 0.00 C ATOM 1110 C VAL A 71 1.123 -9.460 -8.284 1.00 0.00 C ATOM 1111 O VAL A 71 0.810 -8.391 -8.900 1.00 0.00 O ATOM 1112 CB VAL A 71 -0.905 -11.029 -7.930 1.00 0.00 C ATOM 1113 CG1 VAL A 71 -0.498 -11.270 -6.435 1.00 0.00 C ATOM 1114 CG2 VAL A 71 -1.929 -9.916 -7.997 1.00 0.00 C ATOM 0 H VAL A 71 0.737 -12.793 -8.462 1.00 0.00 H new ATOM 0 HA VAL A 71 0.118 -10.456 -9.878 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.356 -11.940 -8.322 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.392 -11.461 -5.841 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.169 -12.130 -6.374 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.012 -10.387 -6.050 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.771 -10.157 -7.349 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.473 -8.982 -7.668 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.280 -9.806 -9.023 1.00 0.00 H new ATOM 1124 N ALA A 72 2.004 -9.494 -7.224 1.00 0.00 N ATOM 1125 CA ALA A 72 2.932 -8.371 -7.022 1.00 0.00 C ATOM 1126 C ALA A 72 3.556 -7.793 -8.350 1.00 0.00 C ATOM 1127 O ALA A 72 3.097 -6.716 -8.777 1.00 0.00 O ATOM 1128 CB ALA A 72 4.018 -8.532 -6.006 1.00 0.00 C ATOM 0 H ALA A 72 2.075 -10.251 -6.544 1.00 0.00 H new ATOM 0 HA ALA A 72 2.233 -7.652 -6.594 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.620 -7.624 -5.970 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.576 -8.713 -5.026 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.651 -9.376 -6.280 1.00 0.00 H new ATOM 1134 N GLU A 73 4.207 -8.692 -9.021 1.00 0.00 N ATOM 1135 CA GLU A 73 4.789 -8.425 -10.409 1.00 0.00 C ATOM 1136 C GLU A 73 3.791 -7.735 -11.460 1.00 0.00 C ATOM 1137 O GLU A 73 4.006 -6.754 -12.053 1.00 0.00 O ATOM 1138 CB GLU A 73 5.591 -9.625 -11.058 1.00 0.00 C ATOM 1139 CG GLU A 73 6.979 -10.020 -10.488 1.00 0.00 C ATOM 1140 CD GLU A 73 7.702 -11.247 -11.161 1.00 0.00 C ATOM 1141 OE1 GLU A 73 7.299 -12.369 -11.163 1.00 0.00 O ATOM 1142 OE2 GLU A 73 9.008 -10.887 -11.528 1.00 0.00 O ATOM 0 H GLU A 73 4.378 -9.636 -8.676 1.00 0.00 H new ATOM 0 HA GLU A 73 5.536 -7.667 -10.173 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.954 -10.508 -11.006 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.727 -9.392 -12.114 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.637 -9.154 -10.566 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.861 -10.236 -9.426 1.00 0.00 H new ATOM 1150 N GLU A 74 2.588 -8.353 -11.625 1.00 0.00 N ATOM 1151 CA GLU A 74 1.405 -7.812 -12.377 1.00 0.00 C ATOM 1152 C GLU A 74 0.940 -6.313 -12.173 1.00 0.00 C ATOM 1153 O GLU A 74 0.832 -5.505 -13.068 1.00 0.00 O ATOM 1154 CB GLU A 74 0.219 -8.828 -12.440 1.00 0.00 C ATOM 1155 CG GLU A 74 -1.143 -8.374 -11.805 1.00 0.00 C ATOM 1156 CD GLU A 74 -2.271 -9.345 -11.801 1.00 0.00 C ATOM 1157 OE1 GLU A 74 -3.313 -9.021 -11.308 1.00 0.00 O ATOM 1158 OE2 GLU A 74 -1.979 -10.576 -12.375 1.00 0.00 O ATOM 0 H GLU A 74 2.403 -9.274 -11.227 1.00 0.00 H new ATOM 0 HA GLU A 74 1.850 -7.706 -13.366 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.039 -9.074 -13.486 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.534 -9.747 -11.946 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.949 -8.083 -10.773 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.475 -7.479 -12.331 1.00 0.00 H new ATOM 1166 N TRP A 75 0.726 -5.817 -10.950 1.00 0.00 N ATOM 1167 CA TRP A 75 0.513 -4.348 -10.576 1.00 0.00 C ATOM 1168 C TRP A 75 1.749 -3.459 -10.932 1.00 0.00 C ATOM 1169 O TRP A 75 1.453 -2.534 -11.654 1.00 0.00 O ATOM 1170 CB TRP A 75 0.195 -4.201 -9.061 1.00 0.00 C ATOM 1171 CG TRP A 75 -0.823 -5.006 -8.327 1.00 0.00 C ATOM 1172 CD1 TRP A 75 -0.581 -6.108 -7.431 1.00 0.00 C ATOM 1173 CD2 TRP A 75 -2.137 -5.029 -8.563 1.00 0.00 C ATOM 1174 NE1 TRP A 75 -1.687 -6.797 -7.133 1.00 0.00 N ATOM 1175 CE2 TRP A 75 -2.667 -6.171 -7.856 1.00 0.00 C ATOM 1176 CE3 TRP A 75 -2.967 -4.424 -9.462 1.00 0.00 C ATOM 1177 CZ2 TRP A 75 -3.971 -6.694 -8.024 1.00 0.00 C ATOM 1178 CZ3 TRP A 75 -4.257 -4.922 -9.667 1.00 0.00 C ATOM 1179 CH2 TRP A 75 -4.738 -6.032 -8.973 1.00 0.00 C ATOM 0 H TRP A 75 0.688 -6.426 -10.133 1.00 0.00 H new ATOM 0 HA TRP A 75 -0.336 -4.001 -11.164 1.00 0.00 H new ATOM 0 HB2 TRP A 75 1.138 -4.360 -8.538 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -0.081 -3.157 -8.911 1.00 0.00 H new ATOM 0 HD1 TRP A 75 0.395 -6.353 -7.040 1.00 0.00 H new ATOM 0 HE1 TRP A 75 -1.779 -7.601 -6.512 1.00 0.00 H new ATOM 0 HE3 TRP A 75 -2.627 -3.561 -10.015 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 -4.339 -7.539 -7.460 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 -4.900 -4.433 -10.384 1.00 0.00 H new ATOM 0 HH2 TRP A 75 -5.737 -6.387 -9.180 1.00 0.00 H new ATOM 1190 N ASN A 76 2.986 -3.939 -10.588 1.00 0.00 N ATOM 1191 CA ASN A 76 4.220 -3.668 -11.348 1.00 0.00 C ATOM 1192 C ASN A 76 5.361 -3.730 -10.279 1.00 0.00 C ATOM 1193 O ASN A 76 5.752 -2.764 -9.659 1.00 0.00 O ATOM 1194 CB ASN A 76 4.392 -2.489 -12.352 1.00 0.00 C ATOM 1195 CG ASN A 76 5.791 -2.371 -13.111 1.00 0.00 C ATOM 1196 OD1 ASN A 76 5.987 -3.017 -14.154 1.00 0.00 O ATOM 1197 ND2 ASN A 76 6.812 -1.890 -12.381 1.00 0.00 N ATOM 0 H ASN A 76 3.140 -4.527 -9.769 1.00 0.00 H new ATOM 0 HA ASN A 76 4.216 -4.424 -12.133 1.00 0.00 H new ATOM 0 HB2 ASN A 76 3.606 -2.569 -13.103 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.222 -1.558 -11.811 1.00 0.00 H new ATOM 0 HD21 ASN A 76 7.774 -2.052 -12.680 1.00 0.00 H new ATOM 0 HD22 ASN A 76 6.625 -1.362 -11.528 1.00 0.00 H new ATOM 1204 N VAL A 77 5.817 -4.917 -9.943 1.00 0.00 N ATOM 1205 CA VAL A 77 6.823 -5.264 -8.835 1.00 0.00 C ATOM 1206 C VAL A 77 7.766 -6.455 -9.300 1.00 0.00 C ATOM 1207 O VAL A 77 7.643 -7.555 -8.781 1.00 0.00 O ATOM 1208 CB VAL A 77 6.147 -5.593 -7.438 1.00 0.00 C ATOM 1209 CG1 VAL A 77 7.129 -5.494 -6.312 1.00 0.00 C ATOM 1210 CG2 VAL A 77 5.008 -4.725 -7.010 1.00 0.00 C ATOM 0 H VAL A 77 5.506 -5.753 -10.438 1.00 0.00 H new ATOM 0 HA VAL A 77 7.421 -4.367 -8.671 1.00 0.00 H new ATOM 0 HB VAL A 77 5.770 -6.599 -7.624 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.629 -5.726 -5.372 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.942 -6.201 -6.475 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.532 -4.482 -6.268 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.640 -5.059 -6.040 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.347 -3.692 -6.933 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.205 -4.790 -7.744 1.00 0.00 H new ATOM 1220 N GLU A 78 8.694 -6.097 -10.194 1.00 0.00 N ATOM 1221 CA GLU A 78 10.138 -6.576 -10.172 1.00 0.00 C ATOM 1222 C GLU A 78 11.113 -6.123 -9.049 1.00 0.00 C ATOM 1223 O GLU A 78 12.366 -6.282 -9.182 1.00 0.00 O ATOM 1224 CB GLU A 78 10.519 -6.444 -11.706 1.00 0.00 C ATOM 1225 CG GLU A 78 10.849 -5.035 -12.342 1.00 0.00 C ATOM 1226 CD GLU A 78 12.154 -4.335 -12.041 1.00 0.00 C ATOM 1227 OE1 GLU A 78 13.210 -4.981 -11.833 1.00 0.00 O ATOM 1228 OE2 GLU A 78 12.165 -3.056 -12.595 1.00 0.00 O ATOM 0 H GLU A 78 8.494 -5.465 -10.969 1.00 0.00 H new ATOM 0 HA GLU A 78 10.258 -7.590 -9.791 1.00 0.00 H new ATOM 0 HB2 GLU A 78 11.386 -7.083 -11.876 1.00 0.00 H new ATOM 0 HB3 GLU A 78 9.694 -6.868 -12.278 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.790 -5.151 -13.424 1.00 0.00 H new ATOM 0 HG3 GLU A 78 10.047 -4.357 -12.050 1.00 0.00 H new ATOM 1236 N ALA A 79 10.700 -5.236 -8.034 1.00 0.00 N ATOM 1237 CA ALA A 79 11.564 -4.496 -7.123 1.00 0.00 C ATOM 1238 C ALA A 79 10.939 -4.185 -5.826 1.00 0.00 C ATOM 1239 O ALA A 79 9.955 -3.479 -5.679 1.00 0.00 O ATOM 1240 CB ALA A 79 12.134 -3.169 -7.664 1.00 0.00 C ATOM 0 H ALA A 79 9.712 -5.046 -7.864 1.00 0.00 H new ATOM 0 HA ALA A 79 12.381 -5.207 -7.003 1.00 0.00 H new ATOM 0 HB1 ALA A 79 12.761 -2.705 -6.903 1.00 0.00 H new ATOM 0 HB2 ALA A 79 12.730 -3.366 -8.555 1.00 0.00 H new ATOM 0 HB3 ALA A 79 11.314 -2.497 -7.917 1.00 0.00 H new ATOM 1246 N MET A 80 11.658 -4.648 -4.827 1.00 0.00 N ATOM 1247 CA MET A 80 11.591 -4.181 -3.374 1.00 0.00 C ATOM 1248 C MET A 80 12.088 -2.727 -3.359 1.00 0.00 C ATOM 1249 O MET A 80 13.303 -2.513 -3.506 1.00 0.00 O ATOM 1250 CB MET A 80 12.249 -5.365 -2.566 1.00 0.00 C ATOM 1251 CG MET A 80 11.329 -6.564 -2.281 1.00 0.00 C ATOM 1252 SD MET A 80 10.553 -7.128 -3.758 1.00 0.00 S ATOM 1253 CE MET A 80 8.839 -6.351 -3.586 1.00 0.00 C ATOM 0 H MET A 80 12.345 -5.389 -4.962 1.00 0.00 H new ATOM 0 HA MET A 80 10.642 -4.048 -2.855 1.00 0.00 H new ATOM 0 HB2 MET A 80 13.119 -5.720 -3.119 1.00 0.00 H new ATOM 0 HB3 MET A 80 12.613 -4.975 -1.616 1.00 0.00 H new ATOM 0 HG2 MET A 80 11.908 -7.374 -1.838 1.00 0.00 H new ATOM 0 HG3 MET A 80 10.570 -6.279 -1.553 1.00 0.00 H new ATOM 0 HE1 MET A 80 8.107 -6.964 -4.112 1.00 0.00 H new ATOM 0 HE2 MET A 80 8.571 -6.291 -2.531 1.00 0.00 H new ATOM 0 HE3 MET A 80 8.849 -5.349 -4.015 1.00 0.00 H new ATOM 1263 N PRO A 81 11.275 -1.608 -3.015 1.00 0.00 N ATOM 1264 CA PRO A 81 9.865 -1.830 -2.675 1.00 0.00 C ATOM 1265 C PRO A 81 8.895 -0.631 -2.790 1.00 0.00 C ATOM 1266 O PRO A 81 9.096 0.513 -2.613 1.00 0.00 O ATOM 1267 CB PRO A 81 10.060 -2.199 -1.187 1.00 0.00 C ATOM 1268 CG PRO A 81 11.363 -1.413 -0.689 1.00 0.00 C ATOM 1269 CD PRO A 81 11.899 -0.787 -1.988 1.00 0.00 C ATOM 0 HA PRO A 81 9.390 -2.540 -3.353 1.00 0.00 H new ATOM 0 HB2 PRO A 81 9.187 -1.914 -0.599 1.00 0.00 H new ATOM 0 HB3 PRO A 81 10.187 -3.275 -1.068 1.00 0.00 H new ATOM 0 HG2 PRO A 81 11.119 -0.655 0.055 1.00 0.00 H new ATOM 0 HG3 PRO A 81 12.091 -2.084 -0.233 1.00 0.00 H new ATOM 0 HD2 PRO A 81 11.616 0.262 -2.080 1.00 0.00 H new ATOM 0 HD3 PRO A 81 12.987 -0.830 -2.040 1.00 0.00 H new ATOM 1277 N THR A 82 7.730 -1.117 -3.148 1.00 0.00 N ATOM 1278 CA THR A 82 6.744 -0.526 -4.017 1.00 0.00 C ATOM 1279 C THR A 82 5.397 -0.367 -3.193 1.00 0.00 C ATOM 1280 O THR A 82 4.834 -1.323 -2.758 1.00 0.00 O ATOM 1281 CB THR A 82 6.614 -1.399 -5.247 1.00 0.00 C ATOM 1282 OG1 THR A 82 7.902 -1.680 -5.800 1.00 0.00 O ATOM 1283 CG2 THR A 82 5.958 -0.721 -6.414 1.00 0.00 C ATOM 0 H THR A 82 7.420 -2.026 -2.803 1.00 0.00 H new ATOM 0 HA THR A 82 7.025 0.468 -4.364 1.00 0.00 H new ATOM 0 HB THR A 82 6.047 -2.257 -4.884 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.251 -2.509 -5.411 1.00 0.00 H new ATOM 0 HG21 THR A 82 5.904 -1.414 -7.254 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.952 -0.409 -6.135 1.00 0.00 H new ATOM 0 HG23 THR A 82 6.542 0.153 -6.702 1.00 0.00 H new ATOM 1291 N PHE A 83 5.059 0.902 -3.372 1.00 0.00 N ATOM 1292 CA PHE A 83 3.896 1.640 -2.796 1.00 0.00 C ATOM 1293 C PHE A 83 3.066 2.159 -4.037 1.00 0.00 C ATOM 1294 O PHE A 83 3.511 2.836 -5.036 1.00 0.00 O ATOM 1295 CB PHE A 83 4.377 2.895 -2.003 1.00 0.00 C ATOM 1296 CG PHE A 83 5.131 2.608 -0.762 1.00 0.00 C ATOM 1297 CD1 PHE A 83 4.452 2.430 0.436 1.00 0.00 C ATOM 1298 CD2 PHE A 83 6.535 2.483 -0.848 1.00 0.00 C ATOM 1299 CE1 PHE A 83 5.058 1.853 1.578 1.00 0.00 C ATOM 1300 CE2 PHE A 83 7.193 2.059 0.367 1.00 0.00 C ATOM 1301 CZ PHE A 83 6.449 1.721 1.556 1.00 0.00 C ATOM 0 H PHE A 83 5.623 1.508 -3.968 1.00 0.00 H new ATOM 0 HA PHE A 83 3.328 0.995 -2.126 1.00 0.00 H new ATOM 0 HB2 PHE A 83 5.004 3.500 -2.658 1.00 0.00 H new ATOM 0 HB3 PHE A 83 3.506 3.499 -1.748 1.00 0.00 H new ATOM 0 HD1 PHE A 83 3.421 2.744 0.499 1.00 0.00 H new ATOM 0 HD2 PHE A 83 7.079 2.690 -1.758 1.00 0.00 H new ATOM 0 HE1 PHE A 83 4.473 1.530 2.426 1.00 0.00 H new ATOM 0 HE2 PHE A 83 8.271 1.993 0.385 1.00 0.00 H new ATOM 0 HZ PHE A 83 6.969 1.364 2.433 1.00 0.00 H new ATOM 1311 N ILE A 84 1.851 1.630 -4.070 1.00 0.00 N ATOM 1312 CA ILE A 84 0.901 1.589 -5.238 1.00 0.00 C ATOM 1313 C ILE A 84 -0.453 2.130 -4.677 1.00 0.00 C ATOM 1314 O ILE A 84 -0.853 2.049 -3.516 1.00 0.00 O ATOM 1315 CB ILE A 84 0.934 0.095 -5.883 1.00 0.00 C ATOM 1316 CG1 ILE A 84 1.952 0.025 -7.051 1.00 0.00 C ATOM 1317 CG2 ILE A 84 -0.307 -0.435 -6.432 1.00 0.00 C ATOM 1318 CD1 ILE A 84 2.518 -1.393 -7.310 1.00 0.00 C ATOM 0 H ILE A 84 1.451 1.183 -3.245 1.00 0.00 H new ATOM 0 HA ILE A 84 1.150 2.219 -6.092 1.00 0.00 H new ATOM 0 HB ILE A 84 1.190 -0.509 -5.012 1.00 0.00 H new ATOM 0 HG12 ILE A 84 1.471 0.385 -7.961 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.779 0.702 -6.839 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.132 -1.436 -6.825 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.062 -0.480 -5.647 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.656 0.214 -7.235 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.222 -1.358 -8.141 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.030 -1.749 -6.416 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.701 -2.072 -7.555 1.00 0.00 H new ATOM 1330 N PHE A 85 -0.999 2.883 -5.629 1.00 0.00 N ATOM 1331 CA PHE A 85 -1.944 3.958 -5.330 1.00 0.00 C ATOM 1332 C PHE A 85 -3.100 3.692 -6.321 1.00 0.00 C ATOM 1333 O PHE A 85 -2.965 3.635 -7.574 1.00 0.00 O ATOM 1334 CB PHE A 85 -1.384 5.321 -5.634 1.00 0.00 C ATOM 1335 CG PHE A 85 -0.329 5.742 -4.668 1.00 0.00 C ATOM 1336 CD1 PHE A 85 0.969 5.364 -4.767 1.00 0.00 C ATOM 1337 CD2 PHE A 85 -0.788 6.426 -3.522 1.00 0.00 C ATOM 1338 CE1 PHE A 85 1.898 5.659 -3.730 1.00 0.00 C ATOM 1339 CE2 PHE A 85 0.054 6.724 -2.452 1.00 0.00 C ATOM 1340 CZ PHE A 85 1.434 6.439 -2.615 1.00 0.00 C ATOM 0 H PHE A 85 -0.801 2.767 -6.623 1.00 0.00 H new ATOM 0 HA PHE A 85 -2.217 3.959 -4.275 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -0.968 5.321 -6.642 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -2.193 6.052 -5.623 1.00 0.00 H new ATOM 0 HD1 PHE A 85 1.303 4.831 -5.645 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -1.824 6.728 -3.473 1.00 0.00 H new ATOM 0 HE1 PHE A 85 2.918 5.308 -3.779 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.328 7.154 -1.538 1.00 0.00 H new ATOM 0 HZ PHE A 85 2.145 6.813 -1.893 1.00 0.00 H new ATOM 1350 N LEU A 86 -4.264 3.305 -5.617 1.00 0.00 N ATOM 1351 CA LEU A 86 -5.494 2.687 -6.239 1.00 0.00 C ATOM 1352 C LEU A 86 -6.653 3.291 -5.401 1.00 0.00 C ATOM 1353 O LEU A 86 -6.693 3.293 -4.180 1.00 0.00 O ATOM 1354 CB LEU A 86 -5.434 1.163 -6.026 1.00 0.00 C ATOM 1355 CG LEU A 86 -6.225 0.225 -6.990 1.00 0.00 C ATOM 1356 CD1 LEU A 86 -7.670 0.685 -7.388 1.00 0.00 C ATOM 1357 CD2 LEU A 86 -5.307 -0.083 -8.226 1.00 0.00 C ATOM 0 H LEU A 86 -4.351 3.423 -4.608 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.599 2.875 -7.308 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.386 0.867 -6.068 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.782 0.960 -5.013 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.447 -0.688 -6.437 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.114 -0.050 -8.060 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.283 0.774 -6.491 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.619 1.651 -7.890 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.836 -0.738 -8.918 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.053 0.849 -8.731 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.394 -0.573 -7.888 1.00 0.00 H new ATOM 1369 N LYS A 87 -7.537 3.865 -6.194 1.00 0.00 N ATOM 1370 CA LYS A 87 -8.668 4.739 -5.775 1.00 0.00 C ATOM 1371 C LYS A 87 -9.973 4.185 -6.499 1.00 0.00 C ATOM 1372 O LYS A 87 -9.927 3.235 -7.232 1.00 0.00 O ATOM 1373 CB LYS A 87 -8.227 6.189 -6.257 1.00 0.00 C ATOM 1374 CG LYS A 87 -8.672 7.311 -5.294 1.00 0.00 C ATOM 1375 CD LYS A 87 -7.982 8.724 -5.472 1.00 0.00 C ATOM 1376 CE LYS A 87 -8.385 9.706 -4.312 1.00 0.00 C ATOM 1377 NZ LYS A 87 -8.206 11.149 -4.551 1.00 0.00 N ATOM 0 H LYS A 87 -7.503 3.741 -7.206 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.891 4.763 -4.708 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.142 6.216 -6.360 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.646 6.380 -7.245 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.749 7.443 -5.402 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.493 6.973 -4.273 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -6.899 8.603 -5.489 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.270 9.153 -6.432 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.434 9.532 -4.073 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -7.808 9.437 -3.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.509 11.680 -3.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -7.203 11.347 -4.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -8.779 11.439 -5.369 1.00 0.00 H new ATOM 1390 N ASP A 88 -11.080 4.891 -6.152 1.00 0.00 N ATOM 1391 CA ASP A 88 -12.352 4.786 -6.968 1.00 0.00 C ATOM 1392 C ASP A 88 -12.231 5.226 -8.468 1.00 0.00 C ATOM 1393 O ASP A 88 -12.755 6.285 -8.844 1.00 0.00 O ATOM 1394 CB ASP A 88 -13.564 5.342 -6.082 1.00 0.00 C ATOM 1395 CG ASP A 88 -13.690 6.937 -5.903 1.00 0.00 C ATOM 1396 OD1 ASP A 88 -14.563 7.627 -6.453 1.00 0.00 O ATOM 1397 OD2 ASP A 88 -12.571 7.485 -5.295 1.00 0.00 O ATOM 0 H ASP A 88 -11.136 5.518 -5.350 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.591 3.742 -7.171 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -14.494 4.979 -6.520 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -13.485 4.898 -5.090 1.00 0.00 H new ATOM 1403 N GLY A 89 -11.292 4.601 -9.227 1.00 0.00 N ATOM 1404 CA GLY A 89 -11.200 4.724 -10.712 1.00 0.00 C ATOM 1405 C GLY A 89 -9.908 4.124 -11.389 1.00 0.00 C ATOM 1406 O GLY A 89 -9.261 4.725 -12.319 1.00 0.00 O ATOM 0 H GLY A 89 -10.575 3.996 -8.828 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -12.072 4.237 -11.149 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -11.262 5.781 -10.971 1.00 0.00 H new ATOM 1410 N LYS A 90 -9.566 2.878 -10.918 1.00 0.00 N ATOM 1411 CA LYS A 90 -8.312 2.063 -11.239 1.00 0.00 C ATOM 1412 C LYS A 90 -6.970 2.672 -10.641 1.00 0.00 C ATOM 1413 O LYS A 90 -6.960 3.553 -9.783 1.00 0.00 O ATOM 1414 CB LYS A 90 -8.459 1.548 -12.697 1.00 0.00 C ATOM 1415 CG LYS A 90 -7.716 0.265 -13.125 1.00 0.00 C ATOM 1416 CD LYS A 90 -8.331 -1.060 -12.737 1.00 0.00 C ATOM 1417 CE LYS A 90 -8.206 -1.483 -11.257 1.00 0.00 C ATOM 1418 NZ LYS A 90 -8.415 -2.886 -10.982 1.00 0.00 N ATOM 0 H LYS A 90 -10.178 2.380 -10.272 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.200 1.135 -10.678 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.521 1.388 -12.882 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.137 2.350 -13.361 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -7.612 0.283 -14.210 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -6.710 0.304 -12.708 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -9.390 -1.030 -12.993 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -7.877 -1.837 -13.351 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -7.213 -1.207 -10.903 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -8.924 -0.907 -10.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -8.308 -3.060 -9.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -9.373 -3.160 -11.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -7.715 -3.450 -11.504 1.00 0.00 H new ATOM 1431 N LEU A 91 -5.799 2.147 -11.098 1.00 0.00 N ATOM 1432 CA LEU A 91 -4.399 2.627 -10.856 1.00 0.00 C ATOM 1433 C LEU A 91 -4.236 4.149 -11.178 1.00 0.00 C ATOM 1434 O LEU A 91 -4.230 4.526 -12.347 1.00 0.00 O ATOM 1435 CB LEU A 91 -3.307 1.770 -11.378 1.00 0.00 C ATOM 1436 CG LEU A 91 -1.864 1.994 -10.925 1.00 0.00 C ATOM 1437 CD1 LEU A 91 -1.565 1.403 -9.562 1.00 0.00 C ATOM 1438 CD2 LEU A 91 -0.811 1.464 -11.962 1.00 0.00 C ATOM 0 H LEU A 91 -5.804 1.316 -11.689 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.260 2.515 -9.781 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.564 0.738 -11.137 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.321 1.857 -12.464 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.770 3.078 -10.854 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.525 1.598 -9.301 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.217 1.859 -8.817 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -1.738 0.327 -9.586 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.195 1.650 -11.586 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.951 0.393 -12.108 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.945 1.980 -12.913 1.00 0.00 H new ATOM 1450 N VAL A 92 -4.110 4.954 -10.183 1.00 0.00 N ATOM 1451 CA VAL A 92 -3.697 6.393 -10.200 1.00 0.00 C ATOM 1452 C VAL A 92 -2.115 6.644 -10.192 1.00 0.00 C ATOM 1453 O VAL A 92 -1.667 7.570 -10.896 1.00 0.00 O ATOM 1454 CB VAL A 92 -4.519 7.164 -9.129 1.00 0.00 C ATOM 1455 CG1 VAL A 92 -5.977 7.169 -9.448 1.00 0.00 C ATOM 1456 CG2 VAL A 92 -4.322 6.895 -7.694 1.00 0.00 C ATOM 0 H VAL A 92 -4.300 4.636 -9.233 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.949 6.818 -11.172 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.061 8.148 -9.233 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.517 7.717 -8.676 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.137 7.650 -10.413 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.344 6.143 -9.488 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.986 7.532 -7.110 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.547 5.849 -7.486 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.287 7.105 -7.423 1.00 0.00 H new ATOM 1466 N ASP A 93 -1.249 5.905 -9.475 1.00 0.00 N ATOM 1467 CA ASP A 93 0.226 6.182 -9.358 1.00 0.00 C ATOM 1468 C ASP A 93 1.082 5.015 -8.737 1.00 0.00 C ATOM 1469 O ASP A 93 0.479 4.095 -8.160 1.00 0.00 O ATOM 1470 CB ASP A 93 0.479 7.590 -8.624 1.00 0.00 C ATOM 1471 CG ASP A 93 1.698 8.334 -9.226 1.00 0.00 C ATOM 1472 OD1 ASP A 93 2.836 8.149 -8.728 1.00 0.00 O ATOM 1473 OD2 ASP A 93 1.432 9.036 -10.394 1.00 0.00 O ATOM 0 H ASP A 93 -1.541 5.083 -8.947 1.00 0.00 H new ATOM 0 HA ASP A 93 0.595 6.247 -10.381 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -0.410 8.214 -8.715 1.00 0.00 H new ATOM 0 HB3 ASP A 93 0.643 7.422 -7.560 1.00 0.00 H new ATOM 1479 N LYS A 94 2.444 5.039 -8.897 1.00 0.00 N ATOM 1480 CA LYS A 94 3.377 4.051 -8.482 1.00 0.00 C ATOM 1481 C LYS A 94 4.769 4.671 -8.292 1.00 0.00 C ATOM 1482 O LYS A 94 5.268 5.466 -9.075 1.00 0.00 O ATOM 1483 CB LYS A 94 3.370 2.796 -9.300 1.00 0.00 C ATOM 1484 CG LYS A 94 3.838 2.884 -10.774 1.00 0.00 C ATOM 1485 CD LYS A 94 3.969 1.487 -11.464 1.00 0.00 C ATOM 1486 CE LYS A 94 4.207 1.546 -12.952 1.00 0.00 C ATOM 1487 NZ LYS A 94 2.994 1.958 -13.656 1.00 0.00 N ATOM 0 H LYS A 94 2.905 5.824 -9.357 1.00 0.00 H new ATOM 0 HA LYS A 94 3.043 3.695 -7.508 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.999 2.064 -8.793 1.00 0.00 H new ATOM 0 HB3 LYS A 94 2.354 2.401 -9.296 1.00 0.00 H new ATOM 0 HG2 LYS A 94 3.132 3.495 -11.337 1.00 0.00 H new ATOM 0 HG3 LYS A 94 4.801 3.393 -10.813 1.00 0.00 H new ATOM 0 HD2 LYS A 94 4.790 0.941 -10.999 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.060 0.916 -11.276 1.00 0.00 H new ATOM 0 HE2 LYS A 94 5.014 2.246 -13.168 1.00 0.00 H new ATOM 0 HE3 LYS A 94 4.528 0.569 -13.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.150 1.894 -14.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.207 1.334 -13.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.761 2.939 -13.402 1.00 0.00 H new ATOM 1500 N THR A 95 5.344 4.341 -7.143 1.00 0.00 N ATOM 1501 CA THR A 95 6.528 4.874 -6.573 1.00 0.00 C ATOM 1502 C THR A 95 7.147 3.564 -5.990 1.00 0.00 C ATOM 1503 O THR A 95 6.520 2.589 -5.605 1.00 0.00 O ATOM 1504 CB THR A 95 6.406 6.131 -5.686 1.00 0.00 C ATOM 1505 OG1 THR A 95 5.739 7.248 -6.250 1.00 0.00 O ATOM 1506 CG2 THR A 95 7.752 6.710 -5.212 1.00 0.00 C ATOM 0 H THR A 95 4.936 3.622 -6.546 1.00 0.00 H new ATOM 0 HA THR A 95 7.190 5.386 -7.271 1.00 0.00 H new ATOM 0 HB THR A 95 5.817 5.705 -4.874 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.450 7.031 -7.161 1.00 0.00 H new ATOM 0 HG21 THR A 95 7.572 7.590 -4.595 1.00 0.00 H new ATOM 0 HG22 THR A 95 8.285 5.960 -4.628 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.353 6.990 -6.077 1.00 0.00 H new ATOM 1514 N VAL A 96 8.485 3.588 -5.961 1.00 0.00 N ATOM 1515 CA VAL A 96 9.317 2.432 -5.530 1.00 0.00 C ATOM 1516 C VAL A 96 10.606 3.035 -4.923 1.00 0.00 C ATOM 1517 O VAL A 96 11.606 3.358 -5.623 1.00 0.00 O ATOM 1518 CB VAL A 96 9.606 1.352 -6.571 1.00 0.00 C ATOM 1519 CG1 VAL A 96 9.967 1.893 -7.955 1.00 0.00 C ATOM 1520 CG2 VAL A 96 10.582 0.181 -6.083 1.00 0.00 C ATOM 0 H VAL A 96 9.032 4.405 -6.234 1.00 0.00 H new ATOM 0 HA VAL A 96 8.738 1.858 -4.807 1.00 0.00 H new ATOM 0 HB VAL A 96 8.637 0.867 -6.691 1.00 0.00 H new ATOM 0 HG11 VAL A 96 10.157 1.061 -8.633 1.00 0.00 H new ATOM 0 HG12 VAL A 96 9.141 2.492 -8.338 1.00 0.00 H new ATOM 0 HG13 VAL A 96 10.861 2.512 -7.882 1.00 0.00 H new ATOM 0 HG21 VAL A 96 10.725 -0.535 -6.893 1.00 0.00 H new ATOM 0 HG22 VAL A 96 11.545 0.605 -5.799 1.00 0.00 H new ATOM 0 HG23 VAL A 96 10.142 -0.325 -5.224 1.00 0.00 H new ATOM 1530 N GLY A 97 10.552 3.105 -3.609 1.00 0.00 N ATOM 1531 CA GLY A 97 11.631 3.646 -2.739 1.00 0.00 C ATOM 1532 C GLY A 97 11.206 3.312 -1.293 1.00 0.00 C ATOM 1533 O GLY A 97 10.332 2.436 -1.052 1.00 0.00 O ATOM 0 H GLY A 97 9.741 2.783 -3.080 1.00 0.00 H new ATOM 0 HA2 GLY A 97 12.593 3.193 -2.979 1.00 0.00 H new ATOM 0 HA3 GLY A 97 11.743 4.722 -2.876 1.00 0.00 H new ATOM 1537 N ALA A 98 11.937 3.947 -0.351 1.00 0.00 N ATOM 1538 CA ALA A 98 11.789 3.676 1.145 1.00 0.00 C ATOM 1539 C ALA A 98 12.425 4.877 1.819 1.00 0.00 C ATOM 1540 O ALA A 98 13.652 5.154 1.782 1.00 0.00 O ATOM 1541 CB ALA A 98 12.443 2.324 1.632 1.00 0.00 C ATOM 0 H ALA A 98 12.640 4.653 -0.572 1.00 0.00 H new ATOM 0 HA ALA A 98 10.737 3.548 1.401 1.00 0.00 H new ATOM 0 HB1 ALA A 98 12.291 2.212 2.706 1.00 0.00 H new ATOM 0 HB2 ALA A 98 11.979 1.487 1.111 1.00 0.00 H new ATOM 0 HB3 ALA A 98 13.511 2.338 1.417 1.00 0.00 H new ATOM 1547 N ASP A 99 11.546 5.718 2.347 1.00 0.00 N ATOM 1548 CA ASP A 99 11.862 7.061 2.904 1.00 0.00 C ATOM 1549 C ASP A 99 10.801 7.387 4.023 1.00 0.00 C ATOM 1550 O ASP A 99 9.610 7.430 3.811 1.00 0.00 O ATOM 1551 CB ASP A 99 12.056 8.134 1.832 1.00 0.00 C ATOM 1552 CG ASP A 99 12.610 9.475 2.379 1.00 0.00 C ATOM 1553 OD1 ASP A 99 12.868 9.782 3.518 1.00 0.00 O ATOM 1554 OD2 ASP A 99 12.582 10.328 1.355 1.00 0.00 O ATOM 0 H ASP A 99 10.553 5.492 2.410 1.00 0.00 H new ATOM 0 HA ASP A 99 12.844 7.053 3.377 1.00 0.00 H new ATOM 0 HB2 ASP A 99 12.737 7.754 1.071 1.00 0.00 H new ATOM 0 HB3 ASP A 99 11.101 8.320 1.341 1.00 0.00 H new ATOM 1560 N LYS A 100 11.307 7.704 5.196 1.00 0.00 N ATOM 1561 CA LYS A 100 10.488 8.298 6.291 1.00 0.00 C ATOM 1562 C LYS A 100 9.542 9.501 6.113 1.00 0.00 C ATOM 1563 O LYS A 100 8.311 9.367 6.174 1.00 0.00 O ATOM 1564 CB LYS A 100 11.268 8.303 7.652 1.00 0.00 C ATOM 1565 CG LYS A 100 12.567 9.182 7.737 1.00 0.00 C ATOM 1566 CD LYS A 100 13.192 9.433 9.141 1.00 0.00 C ATOM 1567 CE LYS A 100 14.555 10.114 8.964 1.00 0.00 C ATOM 1568 NZ LYS A 100 14.982 10.507 10.319 1.00 0.00 N ATOM 0 H LYS A 100 12.288 7.568 5.440 1.00 0.00 H new ATOM 0 HA LYS A 100 9.675 7.573 6.258 1.00 0.00 H new ATOM 0 HB2 LYS A 100 10.583 8.637 8.431 1.00 0.00 H new ATOM 0 HB3 LYS A 100 11.541 7.274 7.888 1.00 0.00 H new ATOM 0 HG2 LYS A 100 13.328 8.714 7.112 1.00 0.00 H new ATOM 0 HG3 LYS A 100 12.343 10.152 7.294 1.00 0.00 H new ATOM 0 HD2 LYS A 100 12.532 10.060 9.740 1.00 0.00 H new ATOM 0 HD3 LYS A 100 13.308 8.490 9.676 1.00 0.00 H new ATOM 0 HE2 LYS A 100 15.276 9.435 8.508 1.00 0.00 H new ATOM 0 HE3 LYS A 100 14.477 10.983 8.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 15.908 10.978 10.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 14.283 11.160 10.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 15.057 9.661 10.919 1.00 0.00 H new ATOM 1581 N ASP A 101 10.097 10.630 5.708 1.00 0.00 N ATOM 1582 CA ASP A 101 9.386 11.882 5.203 1.00 0.00 C ATOM 1583 C ASP A 101 8.798 11.781 3.745 1.00 0.00 C ATOM 1584 O ASP A 101 7.739 12.370 3.478 1.00 0.00 O ATOM 1585 CB ASP A 101 10.205 13.183 5.326 1.00 0.00 C ATOM 1586 CG ASP A 101 11.674 13.144 4.795 1.00 0.00 C ATOM 1587 OD1 ASP A 101 12.002 13.699 3.782 1.00 0.00 O ATOM 1588 OD2 ASP A 101 12.521 12.442 5.576 1.00 0.00 O ATOM 0 H ASP A 101 11.110 10.746 5.707 1.00 0.00 H new ATOM 0 HA ASP A 101 8.546 11.937 5.896 1.00 0.00 H new ATOM 0 HB2 ASP A 101 9.672 13.971 4.794 1.00 0.00 H new ATOM 0 HB3 ASP A 101 10.231 13.470 6.377 1.00 0.00 H new ATOM 1594 N GLY A 102 9.484 11.151 2.768 1.00 0.00 N ATOM 1595 CA GLY A 102 9.020 10.847 1.388 1.00 0.00 C ATOM 1596 C GLY A 102 7.614 10.273 1.123 1.00 0.00 C ATOM 1597 O GLY A 102 6.797 10.780 0.327 1.00 0.00 O ATOM 0 H GLY A 102 10.435 10.819 2.926 1.00 0.00 H new ATOM 0 HA2 GLY A 102 9.099 11.771 0.816 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.736 10.145 0.960 1.00 0.00 H new ATOM 1601 N LEU A 103 7.379 9.081 1.720 1.00 0.00 N ATOM 1602 CA LEU A 103 6.065 8.393 1.766 1.00 0.00 C ATOM 1603 C LEU A 103 4.860 9.264 2.339 1.00 0.00 C ATOM 1604 O LEU A 103 3.960 9.516 1.538 1.00 0.00 O ATOM 1605 CB LEU A 103 6.228 7.039 2.398 1.00 0.00 C ATOM 1606 CG LEU A 103 4.982 6.232 2.750 1.00 0.00 C ATOM 1607 CD1 LEU A 103 4.197 5.738 1.482 1.00 0.00 C ATOM 1608 CD2 LEU A 103 5.210 5.018 3.660 1.00 0.00 C ATOM 0 H LEU A 103 8.115 8.558 2.195 1.00 0.00 H new ATOM 0 HA LEU A 103 5.738 8.243 0.737 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.834 6.432 1.725 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.804 7.171 3.314 1.00 0.00 H new ATOM 0 HG LEU A 103 4.395 6.959 3.311 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.321 5.170 1.795 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.880 6.598 0.892 1.00 0.00 H new ATOM 0 HD13 LEU A 103 4.845 5.103 0.878 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.259 4.519 3.845 1.00 0.00 H new ATOM 0 HD22 LEU A 103 5.896 4.324 3.175 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.637 5.348 4.607 1.00 0.00 H new ATOM 1620 N PRO A 104 4.774 9.825 3.605 1.00 0.00 N ATOM 1621 CA PRO A 104 3.882 10.967 3.974 1.00 0.00 C ATOM 1622 C PRO A 104 3.721 12.278 2.998 1.00 0.00 C ATOM 1623 O PRO A 104 2.574 12.789 2.821 1.00 0.00 O ATOM 1624 CB PRO A 104 4.412 11.345 5.396 1.00 0.00 C ATOM 1625 CG PRO A 104 5.116 10.090 5.927 1.00 0.00 C ATOM 1626 CD PRO A 104 5.720 9.428 4.641 1.00 0.00 C ATOM 0 HA PRO A 104 2.850 10.627 3.890 1.00 0.00 H new ATOM 0 HB2 PRO A 104 5.101 12.188 5.345 1.00 0.00 H new ATOM 0 HB3 PRO A 104 3.594 11.642 6.052 1.00 0.00 H new ATOM 0 HG2 PRO A 104 5.892 10.342 6.649 1.00 0.00 H new ATOM 0 HG3 PRO A 104 4.417 9.422 6.430 1.00 0.00 H new ATOM 0 HD2 PRO A 104 6.726 9.792 4.432 1.00 0.00 H new ATOM 0 HD3 PRO A 104 5.786 8.344 4.736 1.00 0.00 H new ATOM 1634 N THR A 105 4.801 12.735 2.328 1.00 0.00 N ATOM 1635 CA THR A 105 4.799 13.816 1.279 1.00 0.00 C ATOM 1636 C THR A 105 3.974 13.343 0.015 1.00 0.00 C ATOM 1637 O THR A 105 3.034 14.122 -0.323 1.00 0.00 O ATOM 1638 CB THR A 105 6.221 14.268 0.923 1.00 0.00 C ATOM 1639 OG1 THR A 105 6.824 14.769 2.161 1.00 0.00 O ATOM 1640 CG2 THR A 105 6.382 15.291 -0.201 1.00 0.00 C ATOM 0 H THR A 105 5.734 12.360 2.496 1.00 0.00 H new ATOM 0 HA THR A 105 4.303 14.697 1.687 1.00 0.00 H new ATOM 0 HB THR A 105 6.721 13.394 0.506 1.00 0.00 H new ATOM 0 HG1 THR A 105 7.168 14.016 2.686 1.00 0.00 H new ATOM 0 HG21 THR A 105 7.440 15.515 -0.340 1.00 0.00 H new ATOM 0 HG22 THR A 105 5.972 14.884 -1.125 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.849 16.205 0.060 1.00 0.00 H new ATOM 1648 N LEU A 106 4.331 12.218 -0.670 1.00 0.00 N ATOM 1649 CA LEU A 106 3.540 11.558 -1.718 1.00 0.00 C ATOM 1650 C LEU A 106 2.021 11.280 -1.363 1.00 0.00 C ATOM 1651 O LEU A 106 1.153 11.463 -2.209 1.00 0.00 O ATOM 1652 CB LEU A 106 4.223 10.224 -2.066 1.00 0.00 C ATOM 1653 CG LEU A 106 3.619 9.343 -3.161 1.00 0.00 C ATOM 1654 CD1 LEU A 106 3.499 9.855 -4.594 1.00 0.00 C ATOM 1655 CD2 LEU A 106 4.490 8.032 -3.225 1.00 0.00 C ATOM 0 H LEU A 106 5.213 11.739 -0.490 1.00 0.00 H new ATOM 0 HA LEU A 106 3.512 12.256 -2.555 1.00 0.00 H new ATOM 0 HB2 LEU A 106 5.251 10.446 -2.353 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.268 9.630 -1.153 1.00 0.00 H new ATOM 0 HG LEU A 106 2.580 9.248 -2.846 1.00 0.00 H new ATOM 0 HD11 LEU A 106 3.047 9.085 -5.219 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.875 10.748 -4.610 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.490 10.098 -4.978 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.095 7.370 -3.996 1.00 0.00 H new ATOM 0 HD22 LEU A 106 5.521 8.292 -3.463 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.457 7.526 -2.260 1.00 0.00 H new ATOM 1667 N VAL A 107 1.774 10.691 -0.231 1.00 0.00 N ATOM 1668 CA VAL A 107 0.395 10.374 0.322 1.00 0.00 C ATOM 1669 C VAL A 107 -0.434 11.672 0.598 1.00 0.00 C ATOM 1670 O VAL A 107 -1.585 11.708 0.372 1.00 0.00 O ATOM 1671 CB VAL A 107 0.441 9.302 1.474 1.00 0.00 C ATOM 1672 CG1 VAL A 107 -0.955 9.054 2.117 1.00 0.00 C ATOM 1673 CG2 VAL A 107 0.973 7.977 0.968 1.00 0.00 C ATOM 0 H VAL A 107 2.523 10.387 0.392 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.183 9.867 -0.451 1.00 0.00 H new ATOM 0 HB VAL A 107 1.108 9.712 2.232 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -0.865 8.306 2.905 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.331 9.985 2.541 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.648 8.697 1.355 1.00 0.00 H new ATOM 0 HG21 VAL A 107 0.993 7.257 1.786 1.00 0.00 H new ATOM 0 HG22 VAL A 107 0.327 7.605 0.173 1.00 0.00 H new ATOM 0 HG23 VAL A 107 1.983 8.114 0.581 1.00 0.00 H new ATOM 1683 N ALA A 108 0.167 12.794 1.148 1.00 0.00 N ATOM 1684 CA ALA A 108 -0.412 14.173 1.179 1.00 0.00 C ATOM 1685 C ALA A 108 -0.803 14.724 -0.235 1.00 0.00 C ATOM 1686 O ALA A 108 -1.974 15.145 -0.428 1.00 0.00 O ATOM 1687 CB ALA A 108 0.607 15.052 1.971 1.00 0.00 C ATOM 0 H ALA A 108 1.086 12.749 1.588 1.00 0.00 H new ATOM 0 HA ALA A 108 -1.377 14.182 1.687 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.237 16.076 2.028 1.00 0.00 H new ATOM 0 HB2 ALA A 108 0.726 14.653 2.978 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.570 15.042 1.461 1.00 0.00 H new ATOM 1693 N LYS A 109 0.027 14.607 -1.250 1.00 0.00 N ATOM 1694 CA LYS A 109 -0.301 14.832 -2.695 1.00 0.00 C ATOM 1695 C LYS A 109 -1.448 13.910 -3.345 1.00 0.00 C ATOM 1696 O LYS A 109 -2.257 14.411 -4.117 1.00 0.00 O ATOM 1697 CB LYS A 109 0.958 14.682 -3.580 1.00 0.00 C ATOM 1698 CG LYS A 109 2.157 15.637 -3.440 1.00 0.00 C ATOM 1699 CD LYS A 109 3.404 15.075 -4.185 1.00 0.00 C ATOM 1700 CE LYS A 109 4.723 15.927 -4.010 1.00 0.00 C ATOM 1701 NZ LYS A 109 5.926 15.435 -4.774 1.00 0.00 N ATOM 0 H LYS A 109 1.002 14.341 -1.114 1.00 0.00 H new ATOM 0 HA LYS A 109 -0.697 15.847 -2.680 1.00 0.00 H new ATOM 0 HB2 LYS A 109 1.337 13.672 -3.423 1.00 0.00 H new ATOM 0 HB3 LYS A 109 0.626 14.740 -4.616 1.00 0.00 H new ATOM 0 HG2 LYS A 109 1.897 16.615 -3.844 1.00 0.00 H new ATOM 0 HG3 LYS A 109 2.392 15.780 -2.385 1.00 0.00 H new ATOM 0 HD2 LYS A 109 3.594 14.061 -3.832 1.00 0.00 H new ATOM 0 HD3 LYS A 109 3.173 15.004 -5.248 1.00 0.00 H new ATOM 0 HE2 LYS A 109 4.515 16.952 -4.317 1.00 0.00 H new ATOM 0 HE3 LYS A 109 4.976 15.957 -2.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 6.735 16.063 -4.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 6.161 14.469 -4.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 5.714 15.433 -5.792 1.00 0.00 H new ATOM 1714 N HIS A 110 -1.526 12.590 -3.066 1.00 0.00 N ATOM 1715 CA HIS A 110 -2.717 11.703 -3.325 1.00 0.00 C ATOM 1716 C HIS A 110 -4.050 12.042 -2.573 1.00 0.00 C ATOM 1717 O HIS A 110 -5.052 12.257 -3.235 1.00 0.00 O ATOM 1718 CB HIS A 110 -2.135 10.270 -3.102 1.00 0.00 C ATOM 1719 CG HIS A 110 -1.525 9.708 -4.416 1.00 0.00 C ATOM 1720 ND1 HIS A 110 -2.270 8.913 -5.223 1.00 0.00 N ATOM 1721 CD2 HIS A 110 -0.501 10.294 -5.190 1.00 0.00 C ATOM 1722 CE1 HIS A 110 -1.709 9.188 -6.422 1.00 0.00 C ATOM 1723 NE2 HIS A 110 -0.653 10.032 -6.527 1.00 0.00 N ATOM 0 H HIS A 110 -0.749 12.083 -2.642 1.00 0.00 H new ATOM 0 HA HIS A 110 -3.112 11.845 -4.331 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -1.371 10.300 -2.326 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -2.922 9.604 -2.748 1.00 0.00 H new ATOM 0 HD2 HIS A 110 0.307 10.880 -4.778 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -2.109 8.727 -7.313 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -0.137 10.365 -7.341 1.00 0.00 H new ATOM 1731 N ALA A 111 -4.049 11.975 -1.224 1.00 0.00 N ATOM 1732 CA ALA A 111 -5.213 12.209 -0.258 1.00 0.00 C ATOM 1733 C ALA A 111 -5.973 13.523 -0.407 1.00 0.00 C ATOM 1734 O ALA A 111 -7.190 13.504 -0.499 1.00 0.00 O ATOM 1735 CB ALA A 111 -4.688 11.976 1.160 1.00 0.00 C ATOM 0 H ALA A 111 -3.193 11.743 -0.719 1.00 0.00 H new ATOM 0 HA ALA A 111 -5.993 11.492 -0.513 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -5.494 12.135 1.877 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -4.320 10.954 1.248 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -3.876 12.673 1.367 1.00 0.00 H new ATOM 1741 N THR A 112 -5.245 14.656 -0.508 1.00 0.00 N ATOM 1742 CA THR A 112 -5.702 15.906 -1.116 1.00 0.00 C ATOM 1743 C THR A 112 -6.107 15.828 -2.601 1.00 0.00 C ATOM 1744 O THR A 112 -7.233 16.133 -2.976 1.00 0.00 O ATOM 1745 CB THR A 112 -4.756 17.104 -0.744 1.00 0.00 C ATOM 1746 OG1 THR A 112 -4.242 17.033 0.619 1.00 0.00 O ATOM 1747 CG2 THR A 112 -5.347 18.481 -0.945 1.00 0.00 C ATOM 0 H THR A 112 -4.291 14.719 -0.153 1.00 0.00 H new ATOM 0 HA THR A 112 -6.667 16.117 -0.655 1.00 0.00 H new ATOM 0 HB THR A 112 -3.944 16.978 -1.460 1.00 0.00 H new ATOM 0 HG1 THR A 112 -3.440 16.470 0.637 1.00 0.00 H new ATOM 0 HG21 THR A 112 -4.615 19.236 -0.660 1.00 0.00 H new ATOM 0 HG22 THR A 112 -5.614 18.613 -1.993 1.00 0.00 H new ATOM 0 HG23 THR A 112 -6.238 18.588 -0.327 1.00 0.00 H new ATOM 1755 N ALA A 113 -5.168 15.516 -3.486 1.00 0.00 N ATOM 1756 CA ALA A 113 -5.296 15.625 -4.956 1.00 0.00 C ATOM 1757 C ALA A 113 -6.019 16.913 -5.468 1.00 0.00 C ATOM 1758 O ALA A 113 -7.192 16.931 -5.801 1.00 0.00 O ATOM 1759 CB ALA A 113 -5.837 14.332 -5.575 1.00 0.00 C ATOM 1760 OXT ALA A 113 -5.172 17.998 -5.522 1.00 0.00 O ATOM 0 H ALA A 113 -4.254 15.164 -3.200 1.00 0.00 H new ATOM 0 HA ALA A 113 -4.278 15.756 -5.322 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -5.917 14.451 -6.655 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -5.158 13.509 -5.350 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -6.821 14.114 -5.160 1.00 0.00 H new TER 1767 ALA A 113