USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 637 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 HIS : no HE2:sc= -11.3! C(o=-13!,f=-16!) USER MOD Set 1.2: A 79 LYS NZ :NH3+ -163:sc= -2.05 (180deg=-1.23) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 174:sc= 0 (180deg=-0.038) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 81:sc= 0.661 USER MOD Single : A 7 SER OG : rot 57:sc= 1.17 USER MOD Single : A 10 HIS : no HD1:sc= -3.12! K(o=-3.1!,f=-1.1) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0135 USER MOD Single : A 19 CYS SG : rot 180:sc= -2.26! USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -7.94! C(o=-7.9!,f=-17!) USER MOD Single : A 33 MET CE :methyl -166:sc= -12! (180deg=-13!) USER MOD Single : A 34 GLN : amide:sc= -0.286 X(o=-0.29,f=-0.01) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -78:sc= -5.59! USER MOD Single : A 49 THR OG1 : rot 180:sc=-0.00146 USER MOD Single : A 56 CYS SG : rot 66:sc= -13.1! USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 30:sc= -0.596! USER MOD Single : A 75 TYR OH : rot 174:sc= -10! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.196 9.789 -1.307 1.00 0.00 N ATOM 2 CA MET A 1 -19.802 9.715 0.128 1.00 0.00 C ATOM 3 C MET A 1 -19.283 8.312 0.445 1.00 0.00 C ATOM 4 O MET A 1 -19.602 7.736 1.466 1.00 0.00 O ATOM 5 CB MET A 1 -21.018 10.018 1.007 1.00 0.00 C ATOM 6 CG MET A 1 -20.577 10.132 2.468 1.00 0.00 C ATOM 7 SD MET A 1 -21.492 11.473 3.270 1.00 0.00 S ATOM 8 CE MET A 1 -21.289 10.897 4.973 1.00 0.00 C ATOM 0 H1 MET A 1 -20.642 10.709 -1.497 1.00 0.00 H new ATOM 0 H2 MET A 1 -19.352 9.684 -1.905 1.00 0.00 H new ATOM 0 H3 MET A 1 -20.870 9.026 -1.522 1.00 0.00 H new ATOM 0 HA MET A 1 -19.018 10.445 0.326 1.00 0.00 H new ATOM 0 HB2 MET A 1 -21.490 10.946 0.685 1.00 0.00 H new ATOM 0 HB3 MET A 1 -21.762 9.229 0.901 1.00 0.00 H new ATOM 0 HG2 MET A 1 -20.758 9.192 2.988 1.00 0.00 H new ATOM 0 HG3 MET A 1 -19.506 10.325 2.522 1.00 0.00 H new ATOM 0 HE1 MET A 1 -21.786 11.589 5.653 1.00 0.00 H new ATOM 0 HE2 MET A 1 -21.731 9.906 5.077 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.228 10.848 5.217 1.00 0.00 H new ATOM 20 N THR A 2 -18.482 7.757 -0.424 1.00 0.00 N ATOM 21 CA THR A 2 -17.941 6.391 -0.173 1.00 0.00 C ATOM 22 C THR A 2 -16.462 6.490 0.207 1.00 0.00 C ATOM 23 O THR A 2 -15.668 7.075 -0.503 1.00 0.00 O ATOM 24 CB THR A 2 -18.087 5.542 -1.439 1.00 0.00 C ATOM 25 OG1 THR A 2 -19.425 5.625 -1.909 1.00 0.00 O ATOM 26 CG2 THR A 2 -17.744 4.087 -1.123 1.00 0.00 C ATOM 0 H THR A 2 -18.179 8.190 -1.296 1.00 0.00 H new ATOM 0 HA THR A 2 -18.495 5.925 0.642 1.00 0.00 H new ATOM 0 HB THR A 2 -17.408 5.913 -2.207 1.00 0.00 H new ATOM 0 HG1 THR A 2 -19.521 5.084 -2.720 1.00 0.00 H new ATOM 0 HG21 THR A 2 -17.849 3.484 -2.025 1.00 0.00 H new ATOM 0 HG22 THR A 2 -16.717 4.025 -0.762 1.00 0.00 H new ATOM 0 HG23 THR A 2 -18.421 3.712 -0.356 1.00 0.00 H new ATOM 34 N ASP A 3 -16.087 5.924 1.321 1.00 0.00 N ATOM 35 CA ASP A 3 -14.660 5.987 1.745 1.00 0.00 C ATOM 36 C ASP A 3 -13.974 4.655 1.433 1.00 0.00 C ATOM 37 O ASP A 3 -14.186 3.665 2.103 1.00 0.00 O ATOM 38 CB ASP A 3 -14.585 6.259 3.249 1.00 0.00 C ATOM 39 CG ASP A 3 -15.408 7.503 3.584 1.00 0.00 C ATOM 40 OD1 ASP A 3 -16.558 7.556 3.179 1.00 0.00 O ATOM 41 OD2 ASP A 3 -14.875 8.384 4.239 1.00 0.00 O ATOM 0 H ASP A 3 -16.707 5.421 1.956 1.00 0.00 H new ATOM 0 HA ASP A 3 -14.157 6.789 1.205 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -14.962 5.400 3.804 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -13.548 6.404 3.552 1.00 0.00 H new ATOM 46 N LEU A 4 -13.150 4.625 0.421 1.00 0.00 N ATOM 47 CA LEU A 4 -12.450 3.357 0.070 1.00 0.00 C ATOM 48 C LEU A 4 -11.362 3.074 1.108 1.00 0.00 C ATOM 49 O LEU A 4 -10.963 1.944 1.312 1.00 0.00 O ATOM 50 CB LEU A 4 -11.813 3.494 -1.315 1.00 0.00 C ATOM 51 CG LEU A 4 -12.889 3.340 -2.390 1.00 0.00 C ATOM 52 CD1 LEU A 4 -12.370 3.899 -3.717 1.00 0.00 C ATOM 53 CD2 LEU A 4 -13.230 1.858 -2.560 1.00 0.00 C ATOM 0 H LEU A 4 -12.932 5.422 -0.177 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.166 2.535 0.060 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -11.327 4.465 -1.409 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -11.040 2.737 -1.448 1.00 0.00 H new ATOM 0 HG LEU A 4 -13.783 3.888 -2.090 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -13.137 3.789 -4.483 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.126 4.955 -3.597 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -11.476 3.352 -4.018 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -13.997 1.747 -3.326 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -12.336 1.311 -2.859 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -13.600 1.459 -1.616 1.00 0.00 H new ATOM 65 N PHE A 5 -10.879 4.093 1.764 1.00 0.00 N ATOM 66 CA PHE A 5 -9.817 3.888 2.788 1.00 0.00 C ATOM 67 C PHE A 5 -10.461 3.571 4.139 1.00 0.00 C ATOM 68 O PHE A 5 -9.825 3.650 5.172 1.00 0.00 O ATOM 69 CB PHE A 5 -8.972 5.158 2.904 1.00 0.00 C ATOM 70 CG PHE A 5 -7.811 5.091 1.937 1.00 0.00 C ATOM 71 CD1 PHE A 5 -7.855 4.232 0.834 1.00 0.00 C ATOM 72 CD2 PHE A 5 -6.688 5.891 2.141 1.00 0.00 C ATOM 73 CE1 PHE A 5 -6.773 4.181 -0.057 1.00 0.00 C ATOM 74 CE2 PHE A 5 -5.617 5.836 1.240 1.00 0.00 C ATOM 75 CZ PHE A 5 -5.654 4.987 0.147 1.00 0.00 C ATOM 0 H PHE A 5 -11.175 5.061 1.634 1.00 0.00 H new ATOM 0 HA PHE A 5 -9.180 3.055 2.491 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -9.585 6.034 2.691 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.602 5.268 3.923 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -8.721 3.609 0.669 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.644 6.553 2.993 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -6.807 3.514 -0.906 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -4.752 6.463 1.400 1.00 0.00 H new ATOM 0 HZ PHE A 5 -4.823 4.949 -0.542 1.00 0.00 H new ATOM 85 N SER A 6 -11.718 3.214 4.140 1.00 0.00 N ATOM 86 CA SER A 6 -12.406 2.887 5.422 1.00 0.00 C ATOM 87 C SER A 6 -11.516 1.960 6.251 1.00 0.00 C ATOM 88 O SER A 6 -10.473 1.529 5.805 1.00 0.00 O ATOM 89 CB SER A 6 -13.733 2.188 5.126 1.00 0.00 C ATOM 90 OG SER A 6 -14.551 3.047 4.342 1.00 0.00 O ATOM 0 H SER A 6 -12.299 3.135 3.305 1.00 0.00 H new ATOM 0 HA SER A 6 -12.597 3.805 5.978 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.554 1.253 4.595 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.240 1.934 6.057 1.00 0.00 H new ATOM 0 HG SER A 6 -14.282 2.986 3.402 1.00 0.00 H new ATOM 96 N SER A 7 -11.916 1.645 7.454 1.00 0.00 N ATOM 97 CA SER A 7 -11.078 0.748 8.300 1.00 0.00 C ATOM 98 C SER A 7 -10.640 -0.459 7.464 1.00 0.00 C ATOM 99 O SER A 7 -11.423 -1.353 7.211 1.00 0.00 O ATOM 100 CB SER A 7 -11.900 0.264 9.495 1.00 0.00 C ATOM 101 OG SER A 7 -13.011 -0.489 9.025 1.00 0.00 O ATOM 0 H SER A 7 -12.782 1.968 7.885 1.00 0.00 H new ATOM 0 HA SER A 7 -10.202 1.289 8.657 1.00 0.00 H new ATOM 0 HB2 SER A 7 -11.282 -0.348 10.152 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.245 1.115 10.083 1.00 0.00 H new ATOM 0 HG SER A 7 -12.692 -1.228 8.466 1.00 0.00 H new ATOM 107 N PRO A 8 -9.396 -0.442 7.046 1.00 0.00 N ATOM 108 CA PRO A 8 -8.823 -1.518 6.219 1.00 0.00 C ATOM 109 C PRO A 8 -8.533 -2.750 7.078 1.00 0.00 C ATOM 110 O PRO A 8 -8.597 -2.703 8.290 1.00 0.00 O ATOM 111 CB PRO A 8 -7.531 -0.904 5.671 1.00 0.00 C ATOM 112 CG PRO A 8 -7.149 0.240 6.639 1.00 0.00 C ATOM 113 CD PRO A 8 -8.440 0.639 7.375 1.00 0.00 C ATOM 0 HA PRO A 8 -9.490 -1.856 5.426 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.738 -1.650 5.618 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.679 -0.525 4.660 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.386 -0.088 7.345 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.736 1.088 6.093 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -8.278 0.714 8.450 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -8.806 1.609 7.040 1.00 0.00 H new ATOM 121 N ASP A 9 -8.207 -3.852 6.461 1.00 0.00 N ATOM 122 CA ASP A 9 -7.906 -5.080 7.247 1.00 0.00 C ATOM 123 C ASP A 9 -6.463 -5.009 7.747 1.00 0.00 C ATOM 124 O ASP A 9 -6.097 -5.644 8.718 1.00 0.00 O ATOM 125 CB ASP A 9 -8.077 -6.312 6.355 1.00 0.00 C ATOM 126 CG ASP A 9 -9.553 -6.480 5.995 1.00 0.00 C ATOM 127 OD1 ASP A 9 -10.290 -5.518 6.133 1.00 0.00 O ATOM 128 OD2 ASP A 9 -9.922 -7.568 5.587 1.00 0.00 O ATOM 0 H ASP A 9 -8.136 -3.955 5.449 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.587 -5.152 8.095 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.481 -6.204 5.449 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.714 -7.201 6.871 1.00 0.00 H new ATOM 133 N HIS A 10 -5.639 -4.244 7.086 1.00 0.00 N ATOM 134 CA HIS A 10 -4.218 -4.130 7.510 1.00 0.00 C ATOM 135 C HIS A 10 -3.726 -2.705 7.252 1.00 0.00 C ATOM 136 O HIS A 10 -4.419 -1.908 6.663 1.00 0.00 O ATOM 137 CB HIS A 10 -3.381 -5.104 6.688 1.00 0.00 C ATOM 138 CG HIS A 10 -3.475 -6.478 7.288 1.00 0.00 C ATOM 139 ND1 HIS A 10 -2.383 -7.117 7.855 1.00 0.00 N ATOM 140 CD2 HIS A 10 -4.526 -7.350 7.410 1.00 0.00 C ATOM 141 CE1 HIS A 10 -2.800 -8.321 8.289 1.00 0.00 C ATOM 142 NE2 HIS A 10 -4.098 -8.514 8.043 1.00 0.00 N ATOM 0 H HIS A 10 -5.891 -3.691 6.267 1.00 0.00 H new ATOM 0 HA HIS A 10 -4.127 -4.361 8.571 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -3.733 -5.121 5.657 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -2.342 -4.776 6.665 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -5.533 -7.163 7.067 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -2.162 -9.043 8.777 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -4.656 -9.337 8.270 1.00 0.00 H new ATOM 150 N THR A 11 -2.537 -2.377 7.684 1.00 0.00 N ATOM 151 CA THR A 11 -2.013 -1.006 7.445 1.00 0.00 C ATOM 152 C THR A 11 -0.503 -1.069 7.212 1.00 0.00 C ATOM 153 O THR A 11 0.151 -2.031 7.562 1.00 0.00 O ATOM 154 CB THR A 11 -2.291 -0.141 8.667 1.00 0.00 C ATOM 155 OG1 THR A 11 -3.683 -0.153 8.951 1.00 0.00 O ATOM 156 CG2 THR A 11 -1.829 1.294 8.400 1.00 0.00 C ATOM 0 H THR A 11 -1.909 -3.000 8.191 1.00 0.00 H new ATOM 0 HA THR A 11 -2.502 -0.579 6.569 1.00 0.00 H new ATOM 0 HB THR A 11 -1.745 -0.538 9.523 1.00 0.00 H new ATOM 0 HG1 THR A 11 -3.861 0.403 9.738 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.030 1.910 9.277 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.759 1.299 8.190 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.369 1.696 7.543 1.00 0.00 H new ATOM 164 N LEU A 12 0.054 -0.044 6.633 1.00 0.00 N ATOM 165 CA LEU A 12 1.528 -0.029 6.385 1.00 0.00 C ATOM 166 C LEU A 12 2.053 1.396 6.466 1.00 0.00 C ATOM 167 O LEU A 12 1.807 2.192 5.596 1.00 0.00 O ATOM 168 CB LEU A 12 1.828 -0.554 4.978 1.00 0.00 C ATOM 169 CG LEU A 12 3.285 -0.211 4.577 1.00 0.00 C ATOM 170 CD1 LEU A 12 4.219 -0.451 5.765 1.00 0.00 C ATOM 171 CD2 LEU A 12 3.715 -1.114 3.426 1.00 0.00 C ATOM 0 H LEU A 12 -0.446 0.788 6.319 1.00 0.00 H new ATOM 0 HA LEU A 12 2.006 -0.657 7.137 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.679 -1.633 4.945 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.133 -0.114 4.262 1.00 0.00 H new ATOM 0 HG LEU A 12 3.337 0.835 4.275 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.242 -0.208 5.478 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.916 0.182 6.599 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.165 -1.498 6.065 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.740 -0.876 3.140 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.658 -2.156 3.740 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.055 -0.956 2.573 1.00 0.00 H new ATOM 183 N ASP A 13 2.814 1.719 7.463 1.00 0.00 N ATOM 184 CA ASP A 13 3.380 3.090 7.518 1.00 0.00 C ATOM 185 C ASP A 13 4.587 3.107 6.581 1.00 0.00 C ATOM 186 O ASP A 13 5.337 2.153 6.526 1.00 0.00 O ATOM 187 CB ASP A 13 3.823 3.417 8.946 1.00 0.00 C ATOM 188 CG ASP A 13 4.352 4.852 9.001 1.00 0.00 C ATOM 189 OD1 ASP A 13 3.555 5.762 8.841 1.00 0.00 O ATOM 190 OD2 ASP A 13 5.544 5.015 9.201 1.00 0.00 O ATOM 0 H ASP A 13 3.068 1.103 8.236 1.00 0.00 H new ATOM 0 HA ASP A 13 2.640 3.831 7.218 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.985 3.300 9.634 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.598 2.720 9.266 1.00 0.00 H new ATOM 195 N ALA A 14 4.801 4.159 5.841 1.00 0.00 N ATOM 196 CA ALA A 14 5.981 4.163 4.935 1.00 0.00 C ATOM 197 C ALA A 14 6.539 5.585 4.878 1.00 0.00 C ATOM 198 O ALA A 14 7.306 5.987 3.999 1.00 0.00 O ATOM 199 CB ALA A 14 5.581 3.626 3.570 1.00 0.00 C ATOM 0 H ALA A 14 4.223 4.999 5.823 1.00 0.00 H new ATOM 0 HA ALA A 14 6.769 3.508 5.307 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.448 3.630 2.909 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.210 2.607 3.675 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.798 4.256 3.146 1.00 0.00 H new ATOM 205 N LEU A 15 6.167 6.327 5.873 1.00 0.00 N ATOM 206 CA LEU A 15 6.646 7.701 6.045 1.00 0.00 C ATOM 207 C LEU A 15 7.999 7.599 6.717 1.00 0.00 C ATOM 208 O LEU A 15 8.119 7.257 7.876 1.00 0.00 O ATOM 209 CB LEU A 15 5.677 8.454 6.925 1.00 0.00 C ATOM 210 CG LEU A 15 4.253 7.954 6.677 1.00 0.00 C ATOM 211 CD1 LEU A 15 3.256 8.854 7.403 1.00 0.00 C ATOM 212 CD2 LEU A 15 3.967 7.983 5.178 1.00 0.00 C ATOM 0 H LEU A 15 5.523 6.016 6.600 1.00 0.00 H new ATOM 0 HA LEU A 15 6.724 8.230 5.095 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.942 8.317 7.973 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.738 9.522 6.717 1.00 0.00 H new ATOM 0 HG LEU A 15 4.154 6.935 7.052 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.243 8.494 7.223 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.463 8.837 8.473 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.350 9.874 7.032 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.953 7.628 4.994 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.066 9.004 4.808 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.677 7.339 4.660 1.00 0.00 H new ATOM 224 N GLY A 16 9.015 7.829 5.968 1.00 0.00 N ATOM 225 CA GLY A 16 10.390 7.679 6.500 1.00 0.00 C ATOM 226 C GLY A 16 10.904 6.317 6.029 1.00 0.00 C ATOM 227 O GLY A 16 12.032 5.938 6.275 1.00 0.00 O ATOM 0 H GLY A 16 8.960 8.120 4.992 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.034 8.481 6.138 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.391 7.737 7.588 1.00 0.00 H new ATOM 231 N LEU A 17 10.068 5.586 5.324 1.00 0.00 N ATOM 232 CA LEU A 17 10.462 4.266 4.794 1.00 0.00 C ATOM 233 C LEU A 17 10.883 4.462 3.367 1.00 0.00 C ATOM 234 O LEU A 17 10.382 5.324 2.683 1.00 0.00 O ATOM 235 CB LEU A 17 9.266 3.321 4.784 1.00 0.00 C ATOM 236 CG LEU A 17 8.822 2.982 6.198 1.00 0.00 C ATOM 237 CD1 LEU A 17 8.206 1.590 6.181 1.00 0.00 C ATOM 238 CD2 LEU A 17 10.012 2.977 7.143 1.00 0.00 C ATOM 0 H LEU A 17 9.114 5.867 5.097 1.00 0.00 H new ATOM 0 HA LEU A 17 11.257 3.848 5.411 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.440 3.781 4.241 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.527 2.406 4.252 1.00 0.00 H new ATOM 0 HG LEU A 17 8.103 3.727 6.540 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.879 1.324 7.186 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.350 1.579 5.507 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.947 0.868 5.838 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.676 2.732 8.151 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.736 2.233 6.812 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.479 3.962 7.145 1.00 0.00 H new ATOM 250 N ARG A 18 11.768 3.672 2.892 1.00 0.00 N ATOM 251 CA ARG A 18 12.163 3.848 1.486 1.00 0.00 C ATOM 252 C ARG A 18 12.418 2.494 0.866 1.00 0.00 C ATOM 253 O ARG A 18 12.833 1.567 1.528 1.00 0.00 O ATOM 254 CB ARG A 18 13.390 4.731 1.402 1.00 0.00 C ATOM 255 CG ARG A 18 14.401 4.336 2.482 1.00 0.00 C ATOM 256 CD ARG A 18 14.933 5.596 3.166 1.00 0.00 C ATOM 257 NE ARG A 18 16.214 5.282 3.859 1.00 0.00 N ATOM 258 CZ ARG A 18 16.226 5.078 5.147 1.00 0.00 C ATOM 259 NH1 ARG A 18 15.763 3.959 5.635 1.00 0.00 N ATOM 260 NH2 ARG A 18 16.702 5.993 5.948 1.00 0.00 N ATOM 0 H ARG A 18 12.234 2.920 3.400 1.00 0.00 H new ATOM 0 HA ARG A 18 11.361 4.336 0.933 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.846 4.640 0.416 1.00 0.00 H new ATOM 0 HB3 ARG A 18 13.104 5.776 1.526 1.00 0.00 H new ATOM 0 HG2 ARG A 18 13.929 3.682 3.216 1.00 0.00 H new ATOM 0 HG3 ARG A 18 15.223 3.775 2.038 1.00 0.00 H new ATOM 0 HD2 ARG A 18 15.089 6.384 2.429 1.00 0.00 H new ATOM 0 HD3 ARG A 18 14.202 5.970 3.883 1.00 0.00 H new ATOM 0 HE ARG A 18 17.082 5.227 3.326 1.00 0.00 H new ATOM 0 HH11 ARG A 18 15.392 3.244 5.009 1.00 0.00 H new ATOM 0 HH12 ARG A 18 15.772 3.799 6.642 1.00 0.00 H new ATOM 0 HH21 ARG A 18 17.064 6.867 5.566 1.00 0.00 H new ATOM 0 HH22 ARG A 18 16.712 5.834 6.955 1.00 0.00 H new ATOM 274 N CYS A 19 12.171 2.367 -0.391 1.00 0.00 N ATOM 275 CA CYS A 19 12.387 1.049 -1.044 1.00 0.00 C ATOM 276 C CYS A 19 13.751 0.517 -0.627 1.00 0.00 C ATOM 277 O CYS A 19 14.697 1.272 -0.517 1.00 0.00 O ATOM 278 CB CYS A 19 12.332 1.216 -2.560 1.00 0.00 C ATOM 279 SG CYS A 19 12.983 -0.267 -3.374 1.00 0.00 S ATOM 0 H CYS A 19 11.830 3.110 -1.001 1.00 0.00 H new ATOM 0 HA CYS A 19 11.611 0.347 -0.740 1.00 0.00 H new ATOM 0 HB2 CYS A 19 11.304 1.393 -2.877 1.00 0.00 H new ATOM 0 HB3 CYS A 19 12.912 2.089 -2.859 1.00 0.00 H new ATOM 0 HG CYS A 19 12.929 -0.113 -4.664 1.00 0.00 H new ATOM 285 N PRO A 20 13.823 -0.769 -0.413 1.00 0.00 N ATOM 286 CA PRO A 20 12.681 -1.710 -0.541 1.00 0.00 C ATOM 287 C PRO A 20 11.895 -1.834 0.779 1.00 0.00 C ATOM 288 O PRO A 20 11.021 -2.660 0.904 1.00 0.00 O ATOM 289 CB PRO A 20 13.372 -3.045 -0.810 1.00 0.00 C ATOM 290 CG PRO A 20 14.796 -2.921 -0.213 1.00 0.00 C ATOM 291 CD PRO A 20 15.089 -1.422 -0.047 1.00 0.00 C ATOM 0 HA PRO A 20 11.972 -1.390 -1.305 1.00 0.00 H new ATOM 0 HB2 PRO A 20 12.826 -3.867 -0.347 1.00 0.00 H new ATOM 0 HB3 PRO A 20 13.415 -3.253 -1.879 1.00 0.00 H new ATOM 0 HG2 PRO A 20 14.857 -3.434 0.747 1.00 0.00 H new ATOM 0 HG3 PRO A 20 15.531 -3.386 -0.870 1.00 0.00 H new ATOM 0 HD2 PRO A 20 15.380 -1.183 0.976 1.00 0.00 H new ATOM 0 HD3 PRO A 20 15.905 -1.101 -0.694 1.00 0.00 H new ATOM 299 N GLU A 21 12.258 -1.083 1.777 1.00 0.00 N ATOM 300 CA GLU A 21 11.596 -1.206 3.127 1.00 0.00 C ATOM 301 C GLU A 21 10.067 -1.099 3.099 1.00 0.00 C ATOM 302 O GLU A 21 9.395 -1.901 3.716 1.00 0.00 O ATOM 303 CB GLU A 21 12.150 -0.143 4.064 1.00 0.00 C ATOM 304 CG GLU A 21 13.468 -0.628 4.670 1.00 0.00 C ATOM 305 CD GLU A 21 13.289 -0.847 6.174 1.00 0.00 C ATOM 306 OE1 GLU A 21 12.456 -1.661 6.538 1.00 0.00 O ATOM 307 OE2 GLU A 21 13.986 -0.197 6.935 1.00 0.00 O ATOM 0 H GLU A 21 12.993 -0.377 1.726 1.00 0.00 H new ATOM 0 HA GLU A 21 11.826 -2.212 3.479 1.00 0.00 H new ATOM 0 HB2 GLU A 21 12.309 0.788 3.520 1.00 0.00 H new ATOM 0 HB3 GLU A 21 11.431 0.069 4.855 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.781 -1.556 4.191 1.00 0.00 H new ATOM 0 HG3 GLU A 21 14.255 0.105 4.490 1.00 0.00 H new ATOM 314 N PRO A 22 9.553 -0.127 2.420 1.00 0.00 N ATOM 315 CA PRO A 22 8.102 0.079 2.344 1.00 0.00 C ATOM 316 C PRO A 22 7.507 -1.043 1.528 1.00 0.00 C ATOM 317 O PRO A 22 6.763 -1.868 2.016 1.00 0.00 O ATOM 318 CB PRO A 22 7.968 1.434 1.656 1.00 0.00 C ATOM 319 CG PRO A 22 9.300 1.685 0.921 1.00 0.00 C ATOM 320 CD PRO A 22 10.350 0.824 1.640 1.00 0.00 C ATOM 0 HA PRO A 22 7.585 0.074 3.303 1.00 0.00 H new ATOM 0 HB2 PRO A 22 7.133 1.433 0.956 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.772 2.221 2.384 1.00 0.00 H new ATOM 0 HG2 PRO A 22 9.223 1.409 -0.131 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.571 2.740 0.955 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.001 0.312 0.931 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.991 1.429 2.282 1.00 0.00 H new ATOM 328 N VAL A 23 7.876 -1.108 0.297 1.00 0.00 N ATOM 329 CA VAL A 23 7.390 -2.213 -0.553 1.00 0.00 C ATOM 330 C VAL A 23 7.600 -3.522 0.209 1.00 0.00 C ATOM 331 O VAL A 23 6.926 -4.507 -0.025 1.00 0.00 O ATOM 332 CB VAL A 23 8.224 -2.252 -1.825 1.00 0.00 C ATOM 333 CG1 VAL A 23 7.610 -3.246 -2.808 1.00 0.00 C ATOM 334 CG2 VAL A 23 8.262 -0.859 -2.457 1.00 0.00 C ATOM 0 H VAL A 23 8.496 -0.442 -0.164 1.00 0.00 H new ATOM 0 HA VAL A 23 6.337 -2.075 -0.800 1.00 0.00 H new ATOM 0 HB VAL A 23 9.240 -2.565 -1.583 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.208 -3.273 -3.719 1.00 0.00 H new ATOM 0 HG12 VAL A 23 7.590 -4.238 -2.357 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.593 -2.937 -3.051 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.860 -0.889 -3.368 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.248 -0.541 -2.699 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.706 -0.153 -1.755 1.00 0.00 H new ATOM 344 N MET A 24 8.546 -3.540 1.119 1.00 0.00 N ATOM 345 CA MET A 24 8.812 -4.789 1.892 1.00 0.00 C ATOM 346 C MET A 24 7.690 -5.024 2.901 1.00 0.00 C ATOM 347 O MET A 24 7.222 -6.132 3.077 1.00 0.00 O ATOM 348 CB MET A 24 10.139 -4.649 2.638 1.00 0.00 C ATOM 349 CG MET A 24 11.285 -5.117 1.739 1.00 0.00 C ATOM 350 SD MET A 24 11.339 -6.927 1.725 1.00 0.00 S ATOM 351 CE MET A 24 12.745 -7.121 2.848 1.00 0.00 C ATOM 0 H MET A 24 9.141 -2.746 1.357 1.00 0.00 H new ATOM 0 HA MET A 24 8.861 -5.633 1.204 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.295 -3.611 2.932 1.00 0.00 H new ATOM 0 HB3 MET A 24 10.117 -5.240 3.554 1.00 0.00 H new ATOM 0 HG2 MET A 24 11.145 -4.739 0.726 1.00 0.00 H new ATOM 0 HG3 MET A 24 12.232 -4.717 2.101 1.00 0.00 H new ATOM 0 HE1 MET A 24 12.958 -8.181 2.985 1.00 0.00 H new ATOM 0 HE2 MET A 24 13.620 -6.627 2.425 1.00 0.00 H new ATOM 0 HE3 MET A 24 12.506 -6.671 3.812 1.00 0.00 H new ATOM 361 N MET A 25 7.255 -3.994 3.571 1.00 0.00 N ATOM 362 CA MET A 25 6.168 -4.165 4.571 1.00 0.00 C ATOM 363 C MET A 25 4.929 -4.709 3.874 1.00 0.00 C ATOM 364 O MET A 25 4.270 -5.593 4.373 1.00 0.00 O ATOM 365 CB MET A 25 5.843 -2.818 5.214 1.00 0.00 C ATOM 366 CG MET A 25 6.773 -2.581 6.406 1.00 0.00 C ATOM 367 SD MET A 25 5.784 -2.279 7.891 1.00 0.00 S ATOM 368 CE MET A 25 7.019 -2.812 9.101 1.00 0.00 C ATOM 0 H MET A 25 7.606 -3.042 3.469 1.00 0.00 H new ATOM 0 HA MET A 25 6.490 -4.862 5.345 1.00 0.00 H new ATOM 0 HB2 MET A 25 5.960 -2.017 4.484 1.00 0.00 H new ATOM 0 HB3 MET A 25 4.804 -2.801 5.542 1.00 0.00 H new ATOM 0 HG2 MET A 25 7.418 -3.447 6.555 1.00 0.00 H new ATOM 0 HG3 MET A 25 7.424 -1.729 6.210 1.00 0.00 H new ATOM 0 HE1 MET A 25 6.612 -2.708 10.107 1.00 0.00 H new ATOM 0 HE2 MET A 25 7.278 -3.855 8.921 1.00 0.00 H new ATOM 0 HE3 MET A 25 7.912 -2.195 9.005 1.00 0.00 H new ATOM 378 N VAL A 26 4.603 -4.196 2.722 1.00 0.00 N ATOM 379 CA VAL A 26 3.403 -4.713 2.008 1.00 0.00 C ATOM 380 C VAL A 26 3.638 -6.171 1.640 1.00 0.00 C ATOM 381 O VAL A 26 2.718 -6.937 1.541 1.00 0.00 O ATOM 382 CB VAL A 26 3.161 -3.918 0.729 1.00 0.00 C ATOM 383 CG1 VAL A 26 2.029 -4.566 -0.077 1.00 0.00 C ATOM 384 CG2 VAL A 26 2.750 -2.497 1.083 1.00 0.00 C ATOM 0 H VAL A 26 5.109 -3.449 2.247 1.00 0.00 H new ATOM 0 HA VAL A 26 2.534 -4.616 2.659 1.00 0.00 H new ATOM 0 HB VAL A 26 4.078 -3.908 0.140 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.859 -3.995 -0.990 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.305 -5.589 -0.335 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.117 -4.576 0.520 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.577 -1.930 0.168 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.835 -2.520 1.674 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.543 -2.022 1.660 1.00 0.00 H new ATOM 394 N ARG A 27 4.862 -6.557 1.419 1.00 0.00 N ATOM 395 CA ARG A 27 5.133 -7.979 1.046 1.00 0.00 C ATOM 396 C ARG A 27 4.785 -8.893 2.210 1.00 0.00 C ATOM 397 O ARG A 27 4.044 -9.832 2.067 1.00 0.00 O ATOM 398 CB ARG A 27 6.612 -8.177 0.726 1.00 0.00 C ATOM 399 CG ARG A 27 6.874 -7.814 -0.731 1.00 0.00 C ATOM 400 CD ARG A 27 6.609 -9.035 -1.616 1.00 0.00 C ATOM 401 NE ARG A 27 7.400 -8.921 -2.872 1.00 0.00 N ATOM 402 CZ ARG A 27 8.598 -9.434 -2.937 1.00 0.00 C ATOM 403 NH1 ARG A 27 8.839 -10.599 -2.400 1.00 0.00 N ATOM 404 NH2 ARG A 27 9.555 -8.783 -3.539 1.00 0.00 N ATOM 0 H ARG A 27 5.684 -5.957 1.479 1.00 0.00 H new ATOM 0 HA ARG A 27 4.527 -8.218 0.172 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.222 -7.556 1.381 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.899 -9.212 0.910 1.00 0.00 H new ATOM 0 HG2 ARG A 27 6.231 -6.987 -1.032 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.904 -7.479 -0.854 1.00 0.00 H new ATOM 0 HD2 ARG A 27 6.880 -9.948 -1.085 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.546 -9.105 -1.848 1.00 0.00 H new ATOM 0 HE ARG A 27 7.006 -8.442 -3.682 1.00 0.00 H new ATOM 0 HH11 ARG A 27 8.091 -11.108 -1.930 1.00 0.00 H new ATOM 0 HH12 ARG A 27 9.775 -11.000 -2.451 1.00 0.00 H new ATOM 0 HH21 ARG A 27 9.367 -7.873 -3.959 1.00 0.00 H new ATOM 0 HH22 ARG A 27 10.491 -9.184 -3.590 1.00 0.00 H new ATOM 418 N LYS A 28 5.335 -8.620 3.355 1.00 0.00 N ATOM 419 CA LYS A 28 5.066 -9.469 4.557 1.00 0.00 C ATOM 420 C LYS A 28 3.580 -9.407 4.874 1.00 0.00 C ATOM 421 O LYS A 28 2.951 -10.397 5.175 1.00 0.00 O ATOM 422 CB LYS A 28 5.867 -8.942 5.748 1.00 0.00 C ATOM 423 CG LYS A 28 7.214 -9.664 5.819 1.00 0.00 C ATOM 424 CD LYS A 28 7.233 -10.591 7.036 1.00 0.00 C ATOM 425 CE LYS A 28 8.682 -10.881 7.434 1.00 0.00 C ATOM 426 NZ LYS A 28 8.996 -10.182 8.711 1.00 0.00 N ATOM 0 H LYS A 28 5.968 -7.837 3.518 1.00 0.00 H new ATOM 0 HA LYS A 28 5.362 -10.499 4.358 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.023 -7.868 5.648 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.310 -9.098 6.672 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.379 -10.239 4.908 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.024 -8.938 5.889 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.702 -10.128 7.868 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.715 -11.522 6.806 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.831 -11.955 7.549 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.360 -10.547 6.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.981 -10.379 8.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.870 -9.157 8.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.357 -10.521 9.458 1.00 0.00 H new ATOM 440 N THR A 29 3.023 -8.242 4.775 1.00 0.00 N ATOM 441 CA THR A 29 1.572 -8.056 5.019 1.00 0.00 C ATOM 442 C THR A 29 0.830 -8.819 3.933 1.00 0.00 C ATOM 443 O THR A 29 -0.206 -9.411 4.147 1.00 0.00 O ATOM 444 CB THR A 29 1.300 -6.554 4.911 1.00 0.00 C ATOM 445 OG1 THR A 29 1.420 -5.956 6.194 1.00 0.00 O ATOM 446 CG2 THR A 29 -0.085 -6.254 4.325 1.00 0.00 C ATOM 0 H THR A 29 3.524 -7.388 4.529 1.00 0.00 H new ATOM 0 HA THR A 29 1.251 -8.420 5.995 1.00 0.00 H new ATOM 0 HB THR A 29 2.039 -6.133 4.229 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.247 -4.994 6.124 1.00 0.00 H new ATOM 0 HG21 THR A 29 -0.230 -5.175 4.269 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.158 -6.683 3.325 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.853 -6.691 4.964 1.00 0.00 H new ATOM 454 N VAL A 30 1.397 -8.820 2.771 1.00 0.00 N ATOM 455 CA VAL A 30 0.797 -9.544 1.629 1.00 0.00 C ATOM 456 C VAL A 30 0.923 -11.033 1.927 1.00 0.00 C ATOM 457 O VAL A 30 0.126 -11.847 1.505 1.00 0.00 O ATOM 458 CB VAL A 30 1.595 -9.187 0.374 1.00 0.00 C ATOM 459 CG1 VAL A 30 1.399 -10.253 -0.688 1.00 0.00 C ATOM 460 CG2 VAL A 30 1.128 -7.841 -0.186 1.00 0.00 C ATOM 0 H VAL A 30 2.271 -8.339 2.558 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.250 -9.280 1.477 1.00 0.00 H new ATOM 0 HB VAL A 30 2.649 -9.125 0.644 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.971 -9.990 -1.578 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.743 -11.214 -0.306 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.342 -10.322 -0.944 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.704 -7.599 -1.079 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.070 -7.901 -0.442 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.277 -7.064 0.564 1.00 0.00 H new ATOM 470 N ARG A 31 1.929 -11.374 2.676 1.00 0.00 N ATOM 471 CA ARG A 31 2.151 -12.789 3.055 1.00 0.00 C ATOM 472 C ARG A 31 1.165 -13.140 4.164 1.00 0.00 C ATOM 473 O ARG A 31 0.740 -14.270 4.300 1.00 0.00 O ATOM 474 CB ARG A 31 3.576 -12.952 3.586 1.00 0.00 C ATOM 475 CG ARG A 31 4.591 -12.757 2.451 1.00 0.00 C ATOM 476 CD ARG A 31 6.007 -12.758 3.031 1.00 0.00 C ATOM 477 NE ARG A 31 6.874 -13.666 2.228 1.00 0.00 N ATOM 478 CZ ARG A 31 6.448 -14.856 1.902 1.00 0.00 C ATOM 479 NH1 ARG A 31 6.302 -15.771 2.822 1.00 0.00 N ATOM 480 NH2 ARG A 31 6.170 -15.133 0.658 1.00 0.00 N ATOM 0 H ARG A 31 2.618 -10.719 3.047 1.00 0.00 H new ATOM 0 HA ARG A 31 2.009 -13.440 2.193 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.762 -12.227 4.378 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.697 -13.942 4.026 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.487 -13.554 1.714 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.399 -11.817 1.933 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.415 -11.747 3.023 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.985 -13.085 4.071 1.00 0.00 H new ATOM 0 HE ARG A 31 7.800 -13.358 1.933 1.00 0.00 H new ATOM 0 HH11 ARG A 31 6.521 -15.556 3.795 1.00 0.00 H new ATOM 0 HH12 ARG A 31 5.969 -16.701 2.568 1.00 0.00 H new ATOM 0 HH21 ARG A 31 6.285 -14.419 -0.061 1.00 0.00 H new ATOM 0 HH22 ARG A 31 5.837 -16.063 0.405 1.00 0.00 H new ATOM 494 N ASN A 32 0.794 -12.169 4.958 1.00 0.00 N ATOM 495 CA ASN A 32 -0.171 -12.446 6.057 1.00 0.00 C ATOM 496 C ASN A 32 -1.559 -11.945 5.651 1.00 0.00 C ATOM 497 O ASN A 32 -2.507 -12.037 6.404 1.00 0.00 O ATOM 498 CB ASN A 32 0.285 -11.750 7.346 1.00 0.00 C ATOM 499 CG ASN A 32 0.207 -10.228 7.189 1.00 0.00 C ATOM 500 OD1 ASN A 32 -0.578 -9.721 6.415 1.00 0.00 O ATOM 501 ND2 ASN A 32 0.995 -9.474 7.905 1.00 0.00 N ATOM 0 H ASN A 32 1.116 -11.204 4.892 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.214 -13.520 6.238 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -0.341 -12.068 8.179 1.00 0.00 H new ATOM 0 HB3 ASN A 32 1.307 -12.045 7.584 1.00 0.00 H new ATOM 0 HD21 ASN A 32 0.951 -8.459 7.814 1.00 0.00 H new ATOM 0 HD22 ASN A 32 1.655 -9.899 8.556 1.00 0.00 H new ATOM 508 N MET A 33 -1.685 -11.425 4.460 1.00 0.00 N ATOM 509 CA MET A 33 -3.011 -10.932 4.000 1.00 0.00 C ATOM 510 C MET A 33 -3.773 -12.068 3.320 1.00 0.00 C ATOM 511 O MET A 33 -3.237 -13.126 3.055 1.00 0.00 O ATOM 512 CB MET A 33 -2.826 -9.782 3.004 1.00 0.00 C ATOM 513 CG MET A 33 -2.839 -8.443 3.743 1.00 0.00 C ATOM 514 SD MET A 33 -3.403 -7.141 2.617 1.00 0.00 S ATOM 515 CE MET A 33 -5.116 -7.704 2.454 1.00 0.00 C ATOM 0 H MET A 33 -0.926 -11.321 3.787 1.00 0.00 H new ATOM 0 HA MET A 33 -3.574 -10.576 4.862 1.00 0.00 H new ATOM 0 HB2 MET A 33 -1.884 -9.902 2.468 1.00 0.00 H new ATOM 0 HB3 MET A 33 -3.622 -9.803 2.259 1.00 0.00 H new ATOM 0 HG2 MET A 33 -3.497 -8.500 4.610 1.00 0.00 H new ATOM 0 HG3 MET A 33 -1.841 -8.211 4.115 1.00 0.00 H new ATOM 0 HE1 MET A 33 -5.588 -7.195 1.613 1.00 0.00 H new ATOM 0 HE2 MET A 33 -5.130 -8.780 2.282 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.663 -7.476 3.369 1.00 0.00 H new ATOM 525 N GLN A 34 -5.021 -11.846 3.032 1.00 0.00 N ATOM 526 CA GLN A 34 -5.848 -12.886 2.365 1.00 0.00 C ATOM 527 C GLN A 34 -6.570 -12.240 1.186 1.00 0.00 C ATOM 528 O GLN A 34 -6.796 -11.048 1.186 1.00 0.00 O ATOM 529 CB GLN A 34 -6.873 -13.446 3.355 1.00 0.00 C ATOM 530 CG GLN A 34 -6.143 -14.152 4.499 1.00 0.00 C ATOM 531 CD GLN A 34 -6.951 -15.374 4.942 1.00 0.00 C ATOM 532 OE1 GLN A 34 -6.389 -16.389 5.305 1.00 0.00 O ATOM 533 NE2 GLN A 34 -8.255 -15.320 4.926 1.00 0.00 N ATOM 0 H GLN A 34 -5.511 -10.975 3.233 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.216 -13.703 2.017 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -7.493 -12.640 3.747 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -7.540 -14.144 2.849 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -5.148 -14.458 4.176 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -6.009 -13.468 5.337 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -8.726 -14.468 4.621 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -8.803 -16.129 5.218 1.00 0.00 H new ATOM 542 N PRO A 35 -6.906 -13.032 0.207 1.00 0.00 N ATOM 543 CA PRO A 35 -7.598 -12.530 -0.986 1.00 0.00 C ATOM 544 C PRO A 35 -9.012 -12.097 -0.613 1.00 0.00 C ATOM 545 O PRO A 35 -9.777 -12.842 -0.033 1.00 0.00 O ATOM 546 CB PRO A 35 -7.576 -13.717 -1.951 1.00 0.00 C ATOM 547 CG PRO A 35 -7.354 -14.975 -1.081 1.00 0.00 C ATOM 548 CD PRO A 35 -6.666 -14.489 0.211 1.00 0.00 C ATOM 0 HA PRO A 35 -7.134 -11.652 -1.435 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.513 -13.786 -2.504 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.779 -13.606 -2.686 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -8.301 -15.465 -0.857 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -6.733 -15.704 -1.602 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -7.093 -14.963 1.095 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -5.601 -14.720 0.209 1.00 0.00 H new ATOM 556 N GLY A 36 -9.338 -10.873 -0.905 1.00 0.00 N ATOM 557 CA GLY A 36 -10.667 -10.338 -0.537 1.00 0.00 C ATOM 558 C GLY A 36 -10.472 -9.462 0.697 1.00 0.00 C ATOM 559 O GLY A 36 -11.387 -9.225 1.460 1.00 0.00 O ATOM 0 H GLY A 36 -8.729 -10.214 -1.390 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -11.090 -9.759 -1.358 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -11.364 -11.149 -0.327 1.00 0.00 H new ATOM 563 N GLU A 37 -9.264 -8.990 0.906 1.00 0.00 N ATOM 564 CA GLU A 37 -8.993 -8.143 2.102 1.00 0.00 C ATOM 565 C GLU A 37 -8.502 -6.762 1.661 1.00 0.00 C ATOM 566 O GLU A 37 -8.468 -6.450 0.489 1.00 0.00 O ATOM 567 CB GLU A 37 -7.918 -8.811 2.956 1.00 0.00 C ATOM 568 CG GLU A 37 -8.577 -9.759 3.961 1.00 0.00 C ATOM 569 CD GLU A 37 -7.548 -10.183 5.011 1.00 0.00 C ATOM 570 OE1 GLU A 37 -6.643 -9.410 5.272 1.00 0.00 O ATOM 571 OE2 GLU A 37 -7.683 -11.276 5.537 1.00 0.00 O ATOM 0 H GLU A 37 -8.461 -9.156 0.300 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.910 -8.030 2.680 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.225 -9.363 2.321 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.335 -8.055 3.482 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.422 -9.266 4.442 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.970 -10.636 3.447 1.00 0.00 H new ATOM 578 N THR A 38 -8.125 -5.927 2.595 1.00 0.00 N ATOM 579 CA THR A 38 -7.645 -4.567 2.218 1.00 0.00 C ATOM 580 C THR A 38 -6.466 -4.151 3.103 1.00 0.00 C ATOM 581 O THR A 38 -6.319 -4.601 4.221 1.00 0.00 O ATOM 582 CB THR A 38 -8.788 -3.565 2.382 1.00 0.00 C ATOM 583 OG1 THR A 38 -9.634 -3.984 3.444 1.00 0.00 O ATOM 584 CG2 THR A 38 -9.590 -3.497 1.082 1.00 0.00 C ATOM 0 H THR A 38 -8.129 -6.127 3.595 1.00 0.00 H new ATOM 0 HA THR A 38 -7.313 -4.583 1.180 1.00 0.00 H new ATOM 0 HB THR A 38 -8.383 -2.579 2.611 1.00 0.00 H new ATOM 0 HG1 THR A 38 -10.366 -3.342 3.552 1.00 0.00 H new ATOM 0 HG21 THR A 38 -10.406 -2.783 1.195 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.938 -3.177 0.269 1.00 0.00 H new ATOM 0 HG23 THR A 38 -9.998 -4.482 0.854 1.00 0.00 H new ATOM 592 N LEU A 39 -5.625 -3.292 2.594 1.00 0.00 N ATOM 593 CA LEU A 39 -4.443 -2.826 3.376 1.00 0.00 C ATOM 594 C LEU A 39 -4.219 -1.334 3.096 1.00 0.00 C ATOM 595 O LEU A 39 -3.923 -0.944 1.986 1.00 0.00 O ATOM 596 CB LEU A 39 -3.207 -3.615 2.925 1.00 0.00 C ATOM 597 CG LEU A 39 -1.935 -2.972 3.490 1.00 0.00 C ATOM 598 CD1 LEU A 39 -1.609 -3.586 4.848 1.00 0.00 C ATOM 599 CD2 LEU A 39 -0.771 -3.223 2.529 1.00 0.00 C ATOM 0 H LEU A 39 -5.707 -2.889 1.661 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.613 -2.981 4.441 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.282 -4.648 3.264 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.159 -3.639 1.836 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.092 -1.900 3.606 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.704 -3.127 5.247 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.438 -3.412 5.534 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.452 -4.659 4.734 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.135 -2.767 2.928 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.618 -4.296 2.416 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.000 -2.785 1.558 1.00 0.00 H new ATOM 611 N LEU A 40 -4.332 -0.498 4.091 1.00 0.00 N ATOM 612 CA LEU A 40 -4.098 0.952 3.865 1.00 0.00 C ATOM 613 C LEU A 40 -2.609 1.215 4.051 1.00 0.00 C ATOM 614 O LEU A 40 -1.966 0.607 4.884 1.00 0.00 O ATOM 615 CB LEU A 40 -4.906 1.773 4.873 1.00 0.00 C ATOM 616 CG LEU A 40 -4.389 3.212 4.900 1.00 0.00 C ATOM 617 CD1 LEU A 40 -4.733 3.903 3.579 1.00 0.00 C ATOM 618 CD2 LEU A 40 -5.050 3.968 6.056 1.00 0.00 C ATOM 0 H LEU A 40 -4.576 -0.757 5.047 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.412 1.239 2.862 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.962 1.761 4.603 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.826 1.329 5.865 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.308 3.207 5.037 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.365 4.929 3.598 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.266 3.365 2.754 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.814 3.908 3.442 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.683 4.994 6.077 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.131 3.972 5.917 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.807 3.476 6.998 1.00 0.00 H new ATOM 630 N ILE A 41 -2.042 2.079 3.266 1.00 0.00 N ATOM 631 CA ILE A 41 -0.583 2.327 3.391 1.00 0.00 C ATOM 632 C ILE A 41 -0.278 3.819 3.282 1.00 0.00 C ATOM 633 O ILE A 41 -0.946 4.548 2.585 1.00 0.00 O ATOM 634 CB ILE A 41 0.124 1.590 2.253 1.00 0.00 C ATOM 635 CG1 ILE A 41 -0.526 0.207 2.077 1.00 0.00 C ATOM 636 CG2 ILE A 41 1.614 1.453 2.583 1.00 0.00 C ATOM 637 CD1 ILE A 41 0.421 -0.734 1.329 1.00 0.00 C ATOM 0 H ILE A 41 -2.520 2.622 2.547 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.237 1.973 4.362 1.00 0.00 H new ATOM 0 HB ILE A 41 0.028 2.148 1.322 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.772 -0.213 3.052 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.462 0.305 1.527 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.119 0.928 1.773 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.053 2.444 2.703 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.731 0.890 3.509 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.052 -1.709 1.212 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.645 -0.319 0.346 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.346 -0.845 1.895 1.00 0.00 H new ATOM 649 N ILE A 42 0.759 4.272 3.931 1.00 0.00 N ATOM 650 CA ILE A 42 1.137 5.688 3.817 1.00 0.00 C ATOM 651 C ILE A 42 2.585 5.702 3.400 1.00 0.00 C ATOM 652 O ILE A 42 3.286 4.723 3.539 1.00 0.00 O ATOM 653 CB ILE A 42 0.990 6.411 5.143 1.00 0.00 C ATOM 654 CG1 ILE A 42 -0.245 5.895 5.871 1.00 0.00 C ATOM 655 CG2 ILE A 42 0.848 7.917 4.878 1.00 0.00 C ATOM 656 CD1 ILE A 42 -0.629 6.905 6.939 1.00 0.00 C ATOM 0 H ILE A 42 1.358 3.710 4.536 1.00 0.00 H new ATOM 0 HA ILE A 42 0.492 6.196 3.100 1.00 0.00 H new ATOM 0 HB ILE A 42 1.868 6.231 5.763 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.067 5.754 5.170 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.041 4.924 6.323 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.742 8.445 5.826 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.734 8.280 4.358 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.033 8.097 4.262 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.512 6.553 7.472 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.196 7.023 7.642 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.846 7.865 6.471 1.00 0.00 H new ATOM 668 N ALA A 43 3.047 6.781 2.893 1.00 0.00 N ATOM 669 CA ALA A 43 4.458 6.822 2.467 1.00 0.00 C ATOM 670 C ALA A 43 4.882 8.258 2.269 1.00 0.00 C ATOM 671 O ALA A 43 4.270 8.994 1.533 1.00 0.00 O ATOM 672 CB ALA A 43 4.617 6.057 1.154 1.00 0.00 C ATOM 0 H ALA A 43 2.517 7.641 2.751 1.00 0.00 H new ATOM 0 HA ALA A 43 5.082 6.361 3.232 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.660 6.087 0.839 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.311 5.021 1.297 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.993 6.516 0.387 1.00 0.00 H new ATOM 678 N ASP A 44 5.955 8.650 2.856 1.00 0.00 N ATOM 679 CA ASP A 44 6.430 10.024 2.621 1.00 0.00 C ATOM 680 C ASP A 44 7.585 9.885 1.661 1.00 0.00 C ATOM 681 O ASP A 44 7.898 10.778 0.899 1.00 0.00 O ATOM 682 CB ASP A 44 6.852 10.719 3.922 1.00 0.00 C ATOM 683 CG ASP A 44 8.132 10.114 4.500 1.00 0.00 C ATOM 684 OD1 ASP A 44 8.983 9.700 3.733 1.00 0.00 O ATOM 685 OD2 ASP A 44 8.244 10.089 5.714 1.00 0.00 O ATOM 0 H ASP A 44 6.525 8.085 3.486 1.00 0.00 H new ATOM 0 HA ASP A 44 5.640 10.654 2.213 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.005 11.782 3.733 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.049 10.638 4.654 1.00 0.00 H new ATOM 690 N ASP A 45 8.195 8.730 1.659 1.00 0.00 N ATOM 691 CA ASP A 45 9.296 8.503 0.706 1.00 0.00 C ATOM 692 C ASP A 45 8.715 8.629 -0.712 1.00 0.00 C ATOM 693 O ASP A 45 7.598 8.216 -0.955 1.00 0.00 O ATOM 694 CB ASP A 45 9.840 7.115 0.967 1.00 0.00 C ATOM 695 CG ASP A 45 10.503 6.538 -0.285 1.00 0.00 C ATOM 696 OD1 ASP A 45 11.651 6.872 -0.532 1.00 0.00 O ATOM 697 OD2 ASP A 45 9.858 5.764 -0.970 1.00 0.00 O ATOM 0 H ASP A 45 7.975 7.946 2.274 1.00 0.00 H new ATOM 0 HA ASP A 45 10.106 9.224 0.815 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.564 7.152 1.781 1.00 0.00 H new ATOM 0 HB3 ASP A 45 9.031 6.459 1.289 1.00 0.00 H new ATOM 702 N PRO A 46 9.471 9.220 -1.598 1.00 0.00 N ATOM 703 CA PRO A 46 9.035 9.446 -2.990 1.00 0.00 C ATOM 704 C PRO A 46 9.145 8.156 -3.793 1.00 0.00 C ATOM 705 O PRO A 46 8.560 8.007 -4.847 1.00 0.00 O ATOM 706 CB PRO A 46 10.021 10.494 -3.507 1.00 0.00 C ATOM 707 CG PRO A 46 11.276 10.397 -2.606 1.00 0.00 C ATOM 708 CD PRO A 46 10.831 9.706 -1.304 1.00 0.00 C ATOM 0 HA PRO A 46 7.997 9.768 -3.070 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.276 10.306 -4.550 1.00 0.00 H new ATOM 0 HB3 PRO A 46 9.586 11.492 -3.461 1.00 0.00 H new ATOM 0 HG2 PRO A 46 12.063 9.826 -3.098 1.00 0.00 H new ATOM 0 HG3 PRO A 46 11.682 11.387 -2.400 1.00 0.00 H new ATOM 0 HD2 PRO A 46 11.499 8.886 -1.040 1.00 0.00 H new ATOM 0 HD3 PRO A 46 10.833 10.401 -0.464 1.00 0.00 H new ATOM 716 N ALA A 47 9.901 7.230 -3.296 1.00 0.00 N ATOM 717 CA ALA A 47 10.074 5.935 -4.016 1.00 0.00 C ATOM 718 C ALA A 47 9.003 4.941 -3.569 1.00 0.00 C ATOM 719 O ALA A 47 8.933 3.835 -4.061 1.00 0.00 O ATOM 720 CB ALA A 47 11.463 5.365 -3.716 1.00 0.00 C ATOM 0 H ALA A 47 10.413 7.308 -2.417 1.00 0.00 H new ATOM 0 HA ALA A 47 9.974 6.106 -5.088 1.00 0.00 H new ATOM 0 HB1 ALA A 47 11.589 4.419 -4.242 1.00 0.00 H new ATOM 0 HB2 ALA A 47 12.225 6.070 -4.049 1.00 0.00 H new ATOM 0 HB3 ALA A 47 11.565 5.200 -2.643 1.00 0.00 H new ATOM 726 N THR A 48 8.172 5.317 -2.636 1.00 0.00 N ATOM 727 CA THR A 48 7.114 4.380 -2.168 1.00 0.00 C ATOM 728 C THR A 48 5.872 4.537 -3.043 1.00 0.00 C ATOM 729 O THR A 48 5.226 3.574 -3.400 1.00 0.00 O ATOM 730 CB THR A 48 6.753 4.697 -0.716 1.00 0.00 C ATOM 731 OG1 THR A 48 6.708 6.106 -0.537 1.00 0.00 O ATOM 732 CG2 THR A 48 7.807 4.095 0.210 1.00 0.00 C ATOM 0 H THR A 48 8.180 6.229 -2.179 1.00 0.00 H new ATOM 0 HA THR A 48 7.483 3.357 -2.236 1.00 0.00 H new ATOM 0 HB THR A 48 5.778 4.272 -0.480 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.620 6.455 -0.460 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.552 4.319 1.246 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.840 3.014 0.070 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.783 4.521 -0.024 1.00 0.00 H new ATOM 740 N THR A 49 5.534 5.745 -3.399 1.00 0.00 N ATOM 741 CA THR A 49 4.333 5.945 -4.260 1.00 0.00 C ATOM 742 C THR A 49 4.521 5.143 -5.538 1.00 0.00 C ATOM 743 O THR A 49 3.576 4.698 -6.154 1.00 0.00 O ATOM 744 CB THR A 49 4.177 7.424 -4.642 1.00 0.00 C ATOM 745 OG1 THR A 49 4.866 7.668 -5.861 1.00 0.00 O ATOM 746 CG2 THR A 49 4.759 8.315 -3.552 1.00 0.00 C ATOM 0 H THR A 49 6.031 6.595 -3.135 1.00 0.00 H new ATOM 0 HA THR A 49 3.448 5.622 -3.712 1.00 0.00 H new ATOM 0 HB THR A 49 3.117 7.650 -4.759 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.767 8.611 -6.109 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.642 9.361 -3.836 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.234 8.132 -2.614 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.818 8.090 -3.425 1.00 0.00 H new ATOM 754 N ARG A 50 5.743 4.989 -5.958 1.00 0.00 N ATOM 755 CA ARG A 50 6.000 4.241 -7.224 1.00 0.00 C ATOM 756 C ARG A 50 6.374 2.778 -6.961 1.00 0.00 C ATOM 757 O ARG A 50 6.026 1.897 -7.723 1.00 0.00 O ATOM 758 CB ARG A 50 7.150 4.915 -7.970 1.00 0.00 C ATOM 759 CG ARG A 50 6.655 6.212 -8.614 1.00 0.00 C ATOM 760 CD ARG A 50 7.195 6.312 -10.042 1.00 0.00 C ATOM 761 NE ARG A 50 8.669 6.525 -10.001 1.00 0.00 N ATOM 762 CZ ARG A 50 9.405 6.196 -11.027 1.00 0.00 C ATOM 763 NH1 ARG A 50 8.986 6.447 -12.238 1.00 0.00 N ATOM 764 NH2 ARG A 50 10.558 5.615 -10.844 1.00 0.00 N ATOM 0 H ARG A 50 6.573 5.345 -5.485 1.00 0.00 H new ATOM 0 HA ARG A 50 5.084 4.254 -7.814 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.968 5.128 -7.282 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.543 4.245 -8.734 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.565 6.233 -8.624 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.985 7.070 -8.028 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.963 5.401 -10.594 1.00 0.00 H new ATOM 0 HD3 ARG A 50 6.712 7.135 -10.568 1.00 0.00 H new ATOM 0 HE ARG A 50 9.103 6.928 -9.171 1.00 0.00 H new ATOM 0 HH11 ARG A 50 8.084 6.900 -12.382 1.00 0.00 H new ATOM 0 HH12 ARG A 50 9.561 6.190 -13.040 1.00 0.00 H new ATOM 0 HH21 ARG A 50 10.885 5.417 -9.898 1.00 0.00 H new ATOM 0 HH22 ARG A 50 11.133 5.358 -11.647 1.00 0.00 H new ATOM 778 N ASP A 51 7.120 2.514 -5.931 1.00 0.00 N ATOM 779 CA ASP A 51 7.564 1.109 -5.671 1.00 0.00 C ATOM 780 C ASP A 51 6.557 0.318 -4.831 1.00 0.00 C ATOM 781 O ASP A 51 6.263 -0.822 -5.126 1.00 0.00 O ATOM 782 CB ASP A 51 8.902 1.144 -4.931 1.00 0.00 C ATOM 783 CG ASP A 51 9.970 1.764 -5.833 1.00 0.00 C ATOM 784 OD1 ASP A 51 9.907 1.543 -7.032 1.00 0.00 O ATOM 785 OD2 ASP A 51 10.834 2.450 -5.310 1.00 0.00 O ATOM 0 H ASP A 51 7.445 3.205 -5.255 1.00 0.00 H new ATOM 0 HA ASP A 51 7.653 0.609 -6.635 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.806 1.723 -4.013 1.00 0.00 H new ATOM 0 HB3 ASP A 51 9.196 0.135 -4.642 1.00 0.00 H new ATOM 790 N ILE A 52 6.049 0.881 -3.776 1.00 0.00 N ATOM 791 CA ILE A 52 5.095 0.112 -2.921 1.00 0.00 C ATOM 792 C ILE A 52 3.945 -0.441 -3.760 1.00 0.00 C ATOM 793 O ILE A 52 3.647 -1.616 -3.683 1.00 0.00 O ATOM 794 CB ILE A 52 4.572 1.010 -1.788 1.00 0.00 C ATOM 795 CG1 ILE A 52 5.496 0.861 -0.579 1.00 0.00 C ATOM 796 CG2 ILE A 52 3.145 0.607 -1.388 1.00 0.00 C ATOM 797 CD1 ILE A 52 4.836 1.488 0.649 1.00 0.00 C ATOM 0 H ILE A 52 6.247 1.832 -3.466 1.00 0.00 H new ATOM 0 HA ILE A 52 5.618 -0.736 -2.478 1.00 0.00 H new ATOM 0 HB ILE A 52 4.555 2.044 -2.132 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.704 -0.193 -0.395 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.453 1.345 -0.777 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.795 1.256 -0.585 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.484 0.707 -2.249 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.142 -0.428 -1.046 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.495 1.381 1.511 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.651 2.546 0.462 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.891 0.984 0.851 1.00 0.00 H new ATOM 809 N PRO A 53 3.333 0.400 -4.535 1.00 0.00 N ATOM 810 CA PRO A 53 2.222 -0.024 -5.383 1.00 0.00 C ATOM 811 C PRO A 53 2.746 -0.854 -6.536 1.00 0.00 C ATOM 812 O PRO A 53 2.270 -1.933 -6.791 1.00 0.00 O ATOM 813 CB PRO A 53 1.606 1.278 -5.861 1.00 0.00 C ATOM 814 CG PRO A 53 2.686 2.366 -5.692 1.00 0.00 C ATOM 815 CD PRO A 53 3.689 1.828 -4.657 1.00 0.00 C ATOM 0 HA PRO A 53 1.493 -0.648 -4.867 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.295 1.200 -6.903 1.00 0.00 H new ATOM 0 HB3 PRO A 53 0.716 1.522 -5.280 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.181 2.572 -6.641 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.243 3.303 -5.353 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.718 1.957 -4.992 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.597 2.347 -3.703 1.00 0.00 H new ATOM 823 N GLY A 54 3.737 -0.379 -7.222 1.00 0.00 N ATOM 824 CA GLY A 54 4.287 -1.185 -8.339 1.00 0.00 C ATOM 825 C GLY A 54 4.515 -2.602 -7.829 1.00 0.00 C ATOM 826 O GLY A 54 4.482 -3.557 -8.579 1.00 0.00 O ATOM 0 H GLY A 54 4.188 0.522 -7.062 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.596 -1.190 -9.182 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.222 -0.753 -8.696 1.00 0.00 H new ATOM 830 N PHE A 55 4.718 -2.752 -6.546 1.00 0.00 N ATOM 831 CA PHE A 55 4.912 -4.115 -5.996 1.00 0.00 C ATOM 832 C PHE A 55 3.550 -4.805 -5.885 1.00 0.00 C ATOM 833 O PHE A 55 3.368 -5.909 -6.357 1.00 0.00 O ATOM 834 CB PHE A 55 5.590 -4.021 -4.620 1.00 0.00 C ATOM 835 CG PHE A 55 5.116 -5.145 -3.727 1.00 0.00 C ATOM 836 CD1 PHE A 55 5.048 -6.454 -4.219 1.00 0.00 C ATOM 837 CD2 PHE A 55 4.720 -4.871 -2.418 1.00 0.00 C ATOM 838 CE1 PHE A 55 4.581 -7.483 -3.401 1.00 0.00 C ATOM 839 CE2 PHE A 55 4.260 -5.905 -1.601 1.00 0.00 C ATOM 840 CZ PHE A 55 4.187 -7.210 -2.093 1.00 0.00 C ATOM 0 H PHE A 55 4.757 -1.994 -5.865 1.00 0.00 H new ATOM 0 HA PHE A 55 5.552 -4.701 -6.656 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.673 -4.071 -4.736 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.362 -3.060 -4.159 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.357 -6.667 -5.232 1.00 0.00 H new ATOM 0 HD2 PHE A 55 4.769 -3.861 -2.038 1.00 0.00 H new ATOM 0 HE1 PHE A 55 4.525 -8.492 -3.782 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.960 -5.695 -0.585 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.825 -8.007 -1.460 1.00 0.00 H new ATOM 850 N CYS A 56 2.592 -4.179 -5.258 1.00 0.00 N ATOM 851 CA CYS A 56 1.267 -4.835 -5.131 1.00 0.00 C ATOM 852 C CYS A 56 0.790 -5.284 -6.507 1.00 0.00 C ATOM 853 O CYS A 56 0.199 -6.327 -6.653 1.00 0.00 O ATOM 854 CB CYS A 56 0.274 -3.848 -4.534 1.00 0.00 C ATOM 855 SG CYS A 56 0.548 -3.750 -2.748 1.00 0.00 S ATOM 0 H CYS A 56 2.670 -3.254 -4.834 1.00 0.00 H new ATOM 0 HA CYS A 56 1.346 -5.705 -4.479 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.399 -2.865 -4.989 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.747 -4.168 -4.742 1.00 0.00 H new ATOM 0 HG CYS A 56 1.716 -3.229 -2.516 1.00 0.00 H new ATOM 861 N THR A 57 1.046 -4.510 -7.516 1.00 0.00 N ATOM 862 CA THR A 57 0.599 -4.905 -8.883 1.00 0.00 C ATOM 863 C THR A 57 1.366 -6.149 -9.339 1.00 0.00 C ATOM 864 O THR A 57 0.846 -6.986 -10.050 1.00 0.00 O ATOM 865 CB THR A 57 0.873 -3.759 -9.856 1.00 0.00 C ATOM 866 OG1 THR A 57 0.220 -2.582 -9.398 1.00 0.00 O ATOM 867 CG2 THR A 57 0.346 -4.133 -11.241 1.00 0.00 C ATOM 0 H THR A 57 1.544 -3.622 -7.459 1.00 0.00 H new ATOM 0 HA THR A 57 -0.468 -5.125 -8.863 1.00 0.00 H new ATOM 0 HB THR A 57 1.946 -3.577 -9.913 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.397 -1.846 -10.021 1.00 0.00 H new ATOM 0 HG21 THR A 57 0.540 -3.317 -11.937 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.849 -5.035 -11.590 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.727 -4.314 -11.185 1.00 0.00 H new ATOM 875 N PHE A 58 2.605 -6.263 -8.952 1.00 0.00 N ATOM 876 CA PHE A 58 3.422 -7.434 -9.376 1.00 0.00 C ATOM 877 C PHE A 58 2.935 -8.723 -8.702 1.00 0.00 C ATOM 878 O PHE A 58 3.108 -9.803 -9.231 1.00 0.00 O ATOM 879 CB PHE A 58 4.879 -7.184 -8.981 1.00 0.00 C ATOM 880 CG PHE A 58 5.780 -8.121 -9.747 1.00 0.00 C ATOM 881 CD1 PHE A 58 5.779 -9.490 -9.456 1.00 0.00 C ATOM 882 CD2 PHE A 58 6.617 -7.617 -10.747 1.00 0.00 C ATOM 883 CE1 PHE A 58 6.619 -10.356 -10.166 1.00 0.00 C ATOM 884 CE2 PHE A 58 7.456 -8.483 -11.459 1.00 0.00 C ATOM 885 CZ PHE A 58 7.457 -9.853 -11.169 1.00 0.00 C ATOM 0 H PHE A 58 3.090 -5.592 -8.357 1.00 0.00 H new ATOM 0 HA PHE A 58 3.327 -7.554 -10.455 1.00 0.00 H new ATOM 0 HB2 PHE A 58 5.151 -6.150 -9.191 1.00 0.00 H new ATOM 0 HB3 PHE A 58 5.007 -7.336 -7.909 1.00 0.00 H new ATOM 0 HD1 PHE A 58 5.131 -9.878 -8.684 1.00 0.00 H new ATOM 0 HD2 PHE A 58 6.616 -6.560 -10.970 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.621 -11.412 -9.940 1.00 0.00 H new ATOM 0 HE2 PHE A 58 8.102 -8.094 -12.232 1.00 0.00 H new ATOM 0 HZ PHE A 58 8.104 -10.521 -11.718 1.00 0.00 H new ATOM 895 N MET A 59 2.354 -8.638 -7.535 1.00 0.00 N ATOM 896 CA MET A 59 1.902 -9.888 -6.852 1.00 0.00 C ATOM 897 C MET A 59 0.420 -10.181 -7.123 1.00 0.00 C ATOM 898 O MET A 59 -0.137 -11.111 -6.580 1.00 0.00 O ATOM 899 CB MET A 59 2.141 -9.767 -5.358 1.00 0.00 C ATOM 900 CG MET A 59 3.529 -10.312 -5.025 1.00 0.00 C ATOM 901 SD MET A 59 3.603 -10.741 -3.266 1.00 0.00 S ATOM 902 CE MET A 59 4.280 -12.405 -3.468 1.00 0.00 C ATOM 0 H MET A 59 2.174 -7.770 -7.030 1.00 0.00 H new ATOM 0 HA MET A 59 2.481 -10.719 -7.254 1.00 0.00 H new ATOM 0 HB2 MET A 59 2.063 -8.725 -5.048 1.00 0.00 H new ATOM 0 HB3 MET A 59 1.379 -10.321 -4.810 1.00 0.00 H new ATOM 0 HG2 MET A 59 3.742 -11.191 -5.634 1.00 0.00 H new ATOM 0 HG3 MET A 59 4.290 -9.568 -5.261 1.00 0.00 H new ATOM 0 HE1 MET A 59 4.410 -12.866 -2.489 1.00 0.00 H new ATOM 0 HE2 MET A 59 3.594 -13.007 -4.064 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.244 -12.347 -3.973 1.00 0.00 H new ATOM 912 N GLU A 60 -0.210 -9.413 -7.972 1.00 0.00 N ATOM 913 CA GLU A 60 -1.653 -9.665 -8.306 1.00 0.00 C ATOM 914 C GLU A 60 -2.583 -9.044 -7.257 1.00 0.00 C ATOM 915 O GLU A 60 -3.678 -9.517 -7.032 1.00 0.00 O ATOM 916 CB GLU A 60 -1.920 -11.172 -8.392 1.00 0.00 C ATOM 917 CG GLU A 60 -0.785 -11.857 -9.159 1.00 0.00 C ATOM 918 CD GLU A 60 -1.244 -12.160 -10.587 1.00 0.00 C ATOM 919 OE1 GLU A 60 -1.962 -13.129 -10.765 1.00 0.00 O ATOM 920 OE2 GLU A 60 -0.867 -11.417 -11.479 1.00 0.00 O ATOM 0 H GLU A 60 0.210 -8.618 -8.453 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.857 -9.200 -9.270 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.001 -11.594 -7.390 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.871 -11.354 -8.892 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.095 -11.215 -9.177 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.496 -12.779 -8.655 1.00 0.00 H new ATOM 927 N HIS A 61 -2.167 -7.980 -6.633 1.00 0.00 N ATOM 928 CA HIS A 61 -3.022 -7.310 -5.623 1.00 0.00 C ATOM 929 C HIS A 61 -3.757 -6.159 -6.307 1.00 0.00 C ATOM 930 O HIS A 61 -3.527 -5.877 -7.466 1.00 0.00 O ATOM 931 CB HIS A 61 -2.138 -6.765 -4.509 1.00 0.00 C ATOM 932 CG HIS A 61 -1.294 -7.880 -3.976 1.00 0.00 C ATOM 933 ND1 HIS A 61 -1.500 -9.194 -4.356 1.00 0.00 N ATOM 934 CD2 HIS A 61 -0.237 -7.900 -3.102 1.00 0.00 C ATOM 935 CE1 HIS A 61 -0.589 -9.945 -3.721 1.00 0.00 C ATOM 936 NE2 HIS A 61 0.207 -9.209 -2.940 1.00 0.00 N ATOM 0 H HIS A 61 -1.258 -7.542 -6.783 1.00 0.00 H new ATOM 0 HA HIS A 61 -3.741 -8.012 -5.200 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.507 -5.961 -4.887 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.751 -6.342 -3.713 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -2.215 -9.530 -5.002 1.00 0.00 H new ATOM 0 HD2 HIS A 61 0.185 -7.034 -2.615 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -0.508 -11.017 -3.828 1.00 0.00 H new ATOM 944 N GLU A 62 -4.648 -5.497 -5.625 1.00 0.00 N ATOM 945 CA GLU A 62 -5.383 -4.391 -6.287 1.00 0.00 C ATOM 946 C GLU A 62 -5.184 -3.086 -5.533 1.00 0.00 C ATOM 947 O GLU A 62 -5.135 -3.053 -4.325 1.00 0.00 O ATOM 948 CB GLU A 62 -6.872 -4.711 -6.300 1.00 0.00 C ATOM 949 CG GLU A 62 -7.228 -5.472 -7.580 1.00 0.00 C ATOM 950 CD GLU A 62 -8.171 -6.627 -7.241 1.00 0.00 C ATOM 951 OE1 GLU A 62 -7.952 -7.268 -6.225 1.00 0.00 O ATOM 952 OE2 GLU A 62 -9.098 -6.853 -8.002 1.00 0.00 O ATOM 0 H GLU A 62 -4.895 -5.672 -4.651 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.001 -4.285 -7.302 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.132 -5.309 -5.426 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.452 -3.790 -6.240 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.702 -4.800 -8.296 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.323 -5.854 -8.052 1.00 0.00 H new ATOM 959 N LEU A 63 -5.130 -2.009 -6.251 1.00 0.00 N ATOM 960 CA LEU A 63 -5.000 -0.676 -5.605 1.00 0.00 C ATOM 961 C LEU A 63 -6.424 -0.209 -5.334 1.00 0.00 C ATOM 962 O LEU A 63 -7.123 0.214 -6.234 1.00 0.00 O ATOM 963 CB LEU A 63 -4.283 0.290 -6.562 1.00 0.00 C ATOM 964 CG LEU A 63 -4.648 1.747 -6.242 1.00 0.00 C ATOM 965 CD1 LEU A 63 -3.907 2.206 -4.984 1.00 0.00 C ATOM 966 CD2 LEU A 63 -4.240 2.637 -7.418 1.00 0.00 C ATOM 0 H LEU A 63 -5.171 -1.991 -7.270 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.418 -0.716 -4.684 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.204 0.155 -6.482 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.557 0.059 -7.591 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.722 1.820 -6.074 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.171 3.240 -4.763 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.190 1.572 -4.144 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.832 2.133 -5.148 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.497 3.673 -7.197 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.165 2.556 -7.580 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.767 2.317 -8.317 1.00 0.00 H new ATOM 978 N VAL A 64 -6.890 -0.322 -4.125 1.00 0.00 N ATOM 979 CA VAL A 64 -8.273 0.066 -3.851 1.00 0.00 C ATOM 980 C VAL A 64 -8.420 1.596 -3.895 1.00 0.00 C ATOM 981 O VAL A 64 -9.274 2.108 -4.592 1.00 0.00 O ATOM 982 CB VAL A 64 -8.647 -0.529 -2.504 1.00 0.00 C ATOM 983 CG1 VAL A 64 -10.018 -0.053 -2.106 1.00 0.00 C ATOM 984 CG2 VAL A 64 -8.687 -2.049 -2.623 1.00 0.00 C ATOM 0 H VAL A 64 -6.363 -0.668 -3.323 1.00 0.00 H new ATOM 0 HA VAL A 64 -8.956 -0.316 -4.609 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.912 -0.222 -1.760 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.285 -0.480 -1.140 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -10.019 1.035 -2.034 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.744 -0.368 -2.855 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.955 -2.482 -1.659 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.428 -2.336 -3.369 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.706 -2.416 -2.926 1.00 0.00 H new ATOM 994 N ALA A 65 -7.604 2.347 -3.193 1.00 0.00 N ATOM 995 CA ALA A 65 -7.756 3.839 -3.275 1.00 0.00 C ATOM 996 C ALA A 65 -6.389 4.533 -3.168 1.00 0.00 C ATOM 997 O ALA A 65 -5.614 4.256 -2.307 1.00 0.00 O ATOM 998 CB ALA A 65 -8.657 4.319 -2.136 1.00 0.00 C ATOM 0 H ALA A 65 -6.860 2.007 -2.584 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.201 4.092 -4.237 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.769 5.402 -2.193 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.636 3.848 -2.223 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.209 4.050 -1.180 1.00 0.00 H new ATOM 1004 N LYS A 66 -6.061 5.432 -4.038 1.00 0.00 N ATOM 1005 CA LYS A 66 -4.738 6.079 -3.914 1.00 0.00 C ATOM 1006 C LYS A 66 -4.862 7.434 -3.242 1.00 0.00 C ATOM 1007 O LYS A 66 -5.918 8.032 -3.179 1.00 0.00 O ATOM 1008 CB LYS A 66 -4.148 6.277 -5.289 1.00 0.00 C ATOM 1009 CG LYS A 66 -4.608 5.151 -6.185 1.00 0.00 C ATOM 1010 CD LYS A 66 -5.887 5.553 -6.925 1.00 0.00 C ATOM 1011 CE LYS A 66 -5.563 5.832 -8.394 1.00 0.00 C ATOM 1012 NZ LYS A 66 -6.830 5.903 -9.176 1.00 0.00 N ATOM 0 H LYS A 66 -6.640 5.744 -4.818 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.097 5.437 -3.310 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.461 7.237 -5.699 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.060 6.294 -5.233 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.826 4.905 -6.903 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.789 4.255 -5.591 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.628 4.757 -6.850 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.323 6.439 -6.464 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -5.014 6.769 -8.485 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.921 5.046 -8.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.611 6.093 -10.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -7.337 4.998 -9.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -7.427 6.668 -8.801 1.00 0.00 H new ATOM 1026 N GLU A 67 -3.768 7.916 -2.751 1.00 0.00 N ATOM 1027 CA GLU A 67 -3.754 9.236 -2.083 1.00 0.00 C ATOM 1028 C GLU A 67 -2.510 10.017 -2.517 1.00 0.00 C ATOM 1029 O GLU A 67 -1.395 9.670 -2.184 1.00 0.00 O ATOM 1030 CB GLU A 67 -3.730 9.025 -0.582 1.00 0.00 C ATOM 1031 CG GLU A 67 -5.161 8.980 -0.041 1.00 0.00 C ATOM 1032 CD GLU A 67 -5.791 10.370 -0.146 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -5.145 11.324 0.253 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -6.910 10.456 -0.625 1.00 0.00 O ATOM 0 H GLU A 67 -2.865 7.443 -2.784 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.643 9.802 -2.360 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.212 8.096 -0.345 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.175 9.831 -0.101 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.752 8.258 -0.605 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.158 8.648 0.997 1.00 0.00 H new ATOM 1041 N THR A 68 -2.699 11.071 -3.257 1.00 0.00 N ATOM 1042 CA THR A 68 -1.544 11.892 -3.722 1.00 0.00 C ATOM 1043 C THR A 68 -1.920 13.363 -3.582 1.00 0.00 C ATOM 1044 O THR A 68 -1.493 14.203 -4.351 1.00 0.00 O ATOM 1045 CB THR A 68 -1.251 11.576 -5.191 1.00 0.00 C ATOM 1046 OG1 THR A 68 -2.389 11.900 -5.977 1.00 0.00 O ATOM 1047 CG2 THR A 68 -0.931 10.088 -5.341 1.00 0.00 C ATOM 0 H THR A 68 -3.613 11.404 -3.564 1.00 0.00 H new ATOM 0 HA THR A 68 -0.658 11.670 -3.128 1.00 0.00 H new ATOM 0 HB THR A 68 -0.397 12.163 -5.527 1.00 0.00 H new ATOM 0 HG1 THR A 68 -2.204 11.700 -6.918 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.723 9.864 -6.387 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.058 9.841 -4.736 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.784 9.497 -5.006 1.00 0.00 H new ATOM 1055 N ASP A 69 -2.726 13.679 -2.604 1.00 0.00 N ATOM 1056 CA ASP A 69 -3.144 15.099 -2.412 1.00 0.00 C ATOM 1057 C ASP A 69 -2.035 15.881 -1.714 1.00 0.00 C ATOM 1058 O ASP A 69 -2.190 17.036 -1.370 1.00 0.00 O ATOM 1059 CB ASP A 69 -4.407 15.146 -1.557 1.00 0.00 C ATOM 1060 CG ASP A 69 -5.481 14.252 -2.180 1.00 0.00 C ATOM 1061 OD1 ASP A 69 -5.835 14.494 -3.323 1.00 0.00 O ATOM 1062 OD2 ASP A 69 -5.933 13.342 -1.504 1.00 0.00 O ATOM 0 H ASP A 69 -3.113 13.017 -1.931 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.340 15.546 -3.386 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.185 14.813 -0.543 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.770 16.171 -1.483 1.00 0.00 H new ATOM 1067 N GLY A 70 -0.923 15.255 -1.509 1.00 0.00 N ATOM 1068 CA GLY A 70 0.209 15.919 -0.844 1.00 0.00 C ATOM 1069 C GLY A 70 0.716 15.027 0.268 1.00 0.00 C ATOM 1070 O GLY A 70 -0.024 14.567 1.116 1.00 0.00 O ATOM 0 H GLY A 70 -0.750 14.288 -1.782 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.005 16.116 -1.562 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -0.103 16.883 -0.442 1.00 0.00 H new ATOM 1074 N LEU A 71 1.972 14.780 0.236 1.00 0.00 N ATOM 1075 CA LEU A 71 2.619 13.905 1.250 1.00 0.00 C ATOM 1076 C LEU A 71 1.944 14.069 2.622 1.00 0.00 C ATOM 1077 O LEU A 71 1.503 15.143 2.978 1.00 0.00 O ATOM 1078 CB LEU A 71 4.096 14.271 1.383 1.00 0.00 C ATOM 1079 CG LEU A 71 4.816 13.996 0.073 1.00 0.00 C ATOM 1080 CD1 LEU A 71 5.965 14.989 -0.103 1.00 0.00 C ATOM 1081 CD2 LEU A 71 5.375 12.573 0.097 1.00 0.00 C ATOM 0 H LEU A 71 2.609 15.154 -0.468 1.00 0.00 H new ATOM 0 HA LEU A 71 2.516 12.871 0.921 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.197 15.323 1.650 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.552 13.693 2.187 1.00 0.00 H new ATOM 0 HG LEU A 71 4.117 14.105 -0.756 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.479 14.788 -1.043 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.570 16.005 -0.115 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.667 14.883 0.724 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.893 12.370 -0.840 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.074 12.471 0.927 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.557 11.863 0.221 1.00 0.00 H new ATOM 1093 N PRO A 72 1.910 12.982 3.347 1.00 0.00 N ATOM 1094 CA PRO A 72 2.455 11.709 2.871 1.00 0.00 C ATOM 1095 C PRO A 72 1.427 11.040 1.960 1.00 0.00 C ATOM 1096 O PRO A 72 0.234 11.182 2.139 1.00 0.00 O ATOM 1097 CB PRO A 72 2.634 10.886 4.132 1.00 0.00 C ATOM 1098 CG PRO A 72 1.636 11.471 5.149 1.00 0.00 C ATOM 1099 CD PRO A 72 1.340 12.918 4.702 1.00 0.00 C ATOM 0 HA PRO A 72 3.383 11.820 2.310 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.431 9.832 3.945 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.657 10.953 4.503 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.721 10.880 5.176 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.055 11.455 6.155 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.270 13.126 4.698 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.803 13.646 5.367 1.00 0.00 H new ATOM 1107 N TYR A 73 1.880 10.310 1.000 1.00 0.00 N ATOM 1108 CA TYR A 73 0.947 9.615 0.074 1.00 0.00 C ATOM 1109 C TYR A 73 0.267 8.459 0.783 1.00 0.00 C ATOM 1110 O TYR A 73 0.734 7.986 1.793 1.00 0.00 O ATOM 1111 CB TYR A 73 1.706 8.991 -1.070 1.00 0.00 C ATOM 1112 CG TYR A 73 2.799 9.885 -1.542 1.00 0.00 C ATOM 1113 CD1 TYR A 73 2.522 10.971 -2.370 1.00 0.00 C ATOM 1114 CD2 TYR A 73 4.102 9.576 -1.190 1.00 0.00 C ATOM 1115 CE1 TYR A 73 3.566 11.768 -2.838 1.00 0.00 C ATOM 1116 CE2 TYR A 73 5.157 10.352 -1.661 1.00 0.00 C ATOM 1117 CZ TYR A 73 4.893 11.459 -2.487 1.00 0.00 C ATOM 1118 OH TYR A 73 5.932 12.234 -2.959 1.00 0.00 O ATOM 0 H TYR A 73 2.870 10.158 0.807 1.00 0.00 H new ATOM 0 HA TYR A 73 0.230 10.359 -0.274 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.125 8.036 -0.754 1.00 0.00 H new ATOM 0 HB3 TYR A 73 1.022 8.782 -1.893 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.503 11.195 -2.648 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.300 8.730 -0.548 1.00 0.00 H new ATOM 0 HE1 TYR A 73 3.357 12.620 -3.468 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.174 10.105 -1.393 1.00 0.00 H new ATOM 0 HH TYR A 73 5.621 13.154 -3.090 1.00 0.00 H new ATOM 1128 N ARG A 74 -0.795 7.950 0.227 1.00 0.00 N ATOM 1129 CA ARG A 74 -1.443 6.787 0.840 1.00 0.00 C ATOM 1130 C ARG A 74 -2.040 5.957 -0.262 1.00 0.00 C ATOM 1131 O ARG A 74 -2.376 6.451 -1.303 1.00 0.00 O ATOM 1132 CB ARG A 74 -2.515 7.226 1.812 1.00 0.00 C ATOM 1133 CG ARG A 74 -1.877 7.436 3.169 1.00 0.00 C ATOM 1134 CD ARG A 74 -2.619 8.538 3.929 1.00 0.00 C ATOM 1135 NE ARG A 74 -2.807 8.128 5.349 1.00 0.00 N ATOM 1136 CZ ARG A 74 -3.252 8.990 6.223 1.00 0.00 C ATOM 1137 NH1 ARG A 74 -2.937 10.252 6.114 1.00 0.00 N ATOM 1138 NH2 ARG A 74 -4.015 8.592 7.205 1.00 0.00 N ATOM 0 H ARG A 74 -1.234 8.297 -0.626 1.00 0.00 H new ATOM 0 HA ARG A 74 -0.713 6.202 1.399 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -2.984 8.148 1.467 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.300 6.473 1.875 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.903 6.508 3.740 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.828 7.708 3.049 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -2.055 9.470 3.881 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -3.586 8.726 3.463 1.00 0.00 H new ATOM 0 HE ARG A 74 -2.588 7.175 5.638 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -2.343 10.565 5.346 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -3.285 10.925 6.797 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -4.264 7.607 7.290 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -4.362 9.267 7.887 1.00 0.00 H new ATOM 1152 N TYR A 75 -2.171 4.701 -0.049 1.00 0.00 N ATOM 1153 CA TYR A 75 -2.732 3.851 -1.109 1.00 0.00 C ATOM 1154 C TYR A 75 -3.364 2.635 -0.482 1.00 0.00 C ATOM 1155 O TYR A 75 -2.708 1.874 0.202 1.00 0.00 O ATOM 1156 CB TYR A 75 -1.636 3.372 -2.046 1.00 0.00 C ATOM 1157 CG TYR A 75 -0.506 4.363 -2.099 1.00 0.00 C ATOM 1158 CD1 TYR A 75 -0.608 5.544 -2.834 1.00 0.00 C ATOM 1159 CD2 TYR A 75 0.665 4.054 -1.438 1.00 0.00 C ATOM 1160 CE1 TYR A 75 0.482 6.419 -2.906 1.00 0.00 C ATOM 1161 CE2 TYR A 75 1.759 4.924 -1.493 1.00 0.00 C ATOM 1162 CZ TYR A 75 1.669 6.107 -2.234 1.00 0.00 C ATOM 1163 OH TYR A 75 2.751 6.960 -2.309 1.00 0.00 O ATOM 0 H TYR A 75 -1.915 4.220 0.813 1.00 0.00 H new ATOM 0 HA TYR A 75 -3.465 4.434 -1.667 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.262 2.405 -1.710 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -2.045 3.226 -3.046 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -1.528 5.783 -3.347 1.00 0.00 H new ATOM 0 HD2 TYR A 75 0.737 3.135 -0.875 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.407 7.332 -3.478 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.670 4.683 -0.965 1.00 0.00 H new ATOM 0 HH TYR A 75 3.459 6.644 -1.709 1.00 0.00 H new ATOM 1173 N LEU A 76 -4.607 2.401 -0.724 1.00 0.00 N ATOM 1174 CA LEU A 76 -5.196 1.209 -0.159 1.00 0.00 C ATOM 1175 C LEU A 76 -4.970 0.101 -1.168 1.00 0.00 C ATOM 1176 O LEU A 76 -4.920 0.361 -2.353 1.00 0.00 O ATOM 1177 CB LEU A 76 -6.686 1.348 0.033 1.00 0.00 C ATOM 1178 CG LEU A 76 -7.212 0.037 0.588 1.00 0.00 C ATOM 1179 CD1 LEU A 76 -6.914 -0.045 2.080 1.00 0.00 C ATOM 1180 CD2 LEU A 76 -8.698 -0.026 0.342 1.00 0.00 C ATOM 0 H LEU A 76 -5.226 2.986 -1.285 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.745 1.014 0.814 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.907 2.167 0.717 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.172 1.583 -0.914 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.726 -0.805 0.095 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.293 -0.987 2.475 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.837 0.009 2.239 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.399 0.785 2.594 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.092 -0.963 0.735 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -9.185 0.811 0.842 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.892 0.028 -0.729 1.00 0.00 H new ATOM 1192 N ILE A 77 -4.844 -1.114 -0.757 1.00 0.00 N ATOM 1193 CA ILE A 77 -4.642 -2.167 -1.760 1.00 0.00 C ATOM 1194 C ILE A 77 -5.368 -3.439 -1.339 1.00 0.00 C ATOM 1195 O ILE A 77 -4.979 -4.109 -0.403 1.00 0.00 O ATOM 1196 CB ILE A 77 -3.149 -2.417 -1.882 1.00 0.00 C ATOM 1197 CG1 ILE A 77 -2.451 -1.061 -2.045 1.00 0.00 C ATOM 1198 CG2 ILE A 77 -2.872 -3.314 -3.090 1.00 0.00 C ATOM 1199 CD1 ILE A 77 -1.036 -1.246 -2.597 1.00 0.00 C ATOM 0 H ILE A 77 -4.872 -1.420 0.216 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.047 -1.858 -2.724 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.771 -2.921 -0.993 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.029 -0.427 -2.717 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.408 -0.550 -1.083 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.800 -3.491 -3.174 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.388 -4.266 -2.962 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.231 -2.825 -3.996 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.558 -0.273 -2.705 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.455 -1.861 -1.910 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.086 -1.736 -3.569 1.00 0.00 H new ATOM 1211 N ARG A 78 -6.428 -3.779 -2.023 1.00 0.00 N ATOM 1212 CA ARG A 78 -7.175 -5.012 -1.651 1.00 0.00 C ATOM 1213 C ARG A 78 -6.357 -6.241 -2.060 1.00 0.00 C ATOM 1214 O ARG A 78 -6.156 -6.505 -3.229 1.00 0.00 O ATOM 1215 CB ARG A 78 -8.526 -5.022 -2.381 1.00 0.00 C ATOM 1216 CG ARG A 78 -9.132 -6.429 -2.357 1.00 0.00 C ATOM 1217 CD ARG A 78 -10.354 -6.470 -3.278 1.00 0.00 C ATOM 1218 NE ARG A 78 -11.189 -7.658 -2.945 1.00 0.00 N ATOM 1219 CZ ARG A 78 -12.492 -7.565 -2.962 1.00 0.00 C ATOM 1220 NH1 ARG A 78 -13.071 -6.662 -3.704 1.00 0.00 N ATOM 1221 NH2 ARG A 78 -13.215 -8.375 -2.237 1.00 0.00 N ATOM 0 H ARG A 78 -6.805 -3.260 -2.816 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.344 -5.033 -0.574 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.208 -4.316 -1.907 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.393 -4.693 -3.412 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.393 -7.161 -2.682 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.420 -6.696 -1.340 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.939 -5.558 -3.164 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.036 -6.516 -4.320 1.00 0.00 H new ATOM 0 HE ARG A 78 -10.744 -8.543 -2.704 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -12.507 -6.029 -4.271 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -14.088 -6.589 -3.718 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.763 -9.081 -1.657 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -14.232 -8.302 -2.251 1.00 0.00 H new ATOM 1235 N LYS A 79 -5.900 -7.009 -1.101 1.00 0.00 N ATOM 1236 CA LYS A 79 -5.119 -8.231 -1.435 1.00 0.00 C ATOM 1237 C LYS A 79 -6.017 -9.116 -2.279 1.00 0.00 C ATOM 1238 O LYS A 79 -6.949 -9.699 -1.775 1.00 0.00 O ATOM 1239 CB LYS A 79 -4.739 -8.967 -0.145 1.00 0.00 C ATOM 1240 CG LYS A 79 -4.240 -10.379 -0.478 1.00 0.00 C ATOM 1241 CD LYS A 79 -2.726 -10.452 -0.274 1.00 0.00 C ATOM 1242 CE LYS A 79 -2.257 -11.894 -0.479 1.00 0.00 C ATOM 1243 NZ LYS A 79 -1.581 -12.014 -1.801 1.00 0.00 N ATOM 0 H LYS A 79 -6.036 -6.839 -0.104 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.205 -7.976 -1.971 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.964 -8.413 0.385 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -5.601 -9.024 0.519 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.738 -11.111 0.158 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -4.490 -10.630 -1.509 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.220 -9.790 -0.977 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -2.466 -10.112 0.728 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.572 -12.182 0.319 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -3.107 -12.574 -0.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -1.520 -13.017 -2.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -2.127 -11.495 -2.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -0.623 -11.614 -1.739 1.00 0.00 H new ATOM 1257 N GLY A 80 -5.763 -9.200 -3.556 1.00 0.00 N ATOM 1258 CA GLY A 80 -6.622 -10.041 -4.435 1.00 0.00 C ATOM 1259 C GLY A 80 -6.332 -9.710 -5.898 1.00 0.00 C ATOM 1260 O GLY A 80 -5.699 -8.721 -6.208 1.00 0.00 O ATOM 0 H GLY A 80 -4.996 -8.722 -4.029 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -6.431 -11.097 -4.245 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.674 -9.862 -4.212 1.00 0.00 H new ATOM 1264 N GLY A 81 -6.798 -10.527 -6.797 1.00 0.00 N ATOM 1265 CA GLY A 81 -6.558 -10.263 -8.244 1.00 0.00 C ATOM 1266 C GLY A 81 -7.860 -10.455 -9.023 1.00 0.00 C ATOM 1267 O GLY A 81 -8.528 -9.465 -9.275 1.00 0.00 O ATOM 1268 OXT GLY A 81 -8.169 -11.588 -9.354 1.00 0.00 O ATOM 0 H GLY A 81 -7.336 -11.369 -6.594 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -6.186 -9.248 -8.382 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.791 -10.938 -8.625 1.00 0.00 H new TER 1272 GLY A 81