USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 713 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 36 GLN : amide:sc= -0.557 K(o=-14,f=-19!) USER MOD Set 1.2: A 48 ASN : amide:sc= -13.6! C(o=-14!,f=-19!) USER MOD Single : A 4 THR OG1 : rot -75:sc= 0.476 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0.288 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -160:sc= 0.236 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -18.2! C(o=-18!,f=-21!) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.343 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 160:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -61:sc= -4.32! USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 62 SER OG : rot 180:sc= -0.79 USER MOD Single : A 64 SER OG : rot 55:sc= 0.0827 USER MOD Single : A 65 THR OG1 : rot -110:sc= -1.98! USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 170:sc= -0.642 USER MOD Single : A 72 SER OG : rot 61:sc= -0.428 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot -161:sc= -7.71! USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.0264 X(o=-0.026,f=-0.14) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN :FLIP amide:sc= -3.48! C(o=-7.7!,f=-3.5!) USER MOD Single : A 111 SER OG : rot 83:sc= 1.08 USER MOD ----------------------------------------------------------------- ATOM 21 N PRO A 3 -9.057 -2.059 10.632 1.00 0.00 N ATOM 22 CA PRO A 3 -10.041 -1.226 9.958 1.00 0.00 C ATOM 23 C PRO A 3 -9.533 -0.778 8.586 1.00 0.00 C ATOM 24 O PRO A 3 -8.334 -0.837 8.316 1.00 0.00 O ATOM 25 CB PRO A 3 -10.291 -0.066 10.906 1.00 0.00 C ATOM 26 CG PRO A 3 -9.105 -0.043 11.860 1.00 0.00 C ATOM 27 CD PRO A 3 -8.362 -1.359 11.708 1.00 0.00 C ATOM 0 HA PRO A 3 -10.969 -1.758 9.748 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -10.371 0.874 10.360 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -11.226 -0.200 11.449 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -8.447 0.796 11.632 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.444 0.088 12.888 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -7.313 -1.195 11.460 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -8.384 -1.935 12.633 1.00 0.00 H new ATOM 35 N THR A 4 -10.469 -0.344 7.757 1.00 0.00 N ATOM 36 CA THR A 4 -10.131 0.112 6.420 1.00 0.00 C ATOM 37 C THR A 4 -9.524 -1.030 5.604 1.00 0.00 C ATOM 38 O THR A 4 -9.799 -2.201 5.866 1.00 0.00 O ATOM 39 CB THR A 4 -9.205 1.322 6.553 1.00 0.00 C ATOM 40 OG1 THR A 4 -7.894 0.763 6.515 1.00 0.00 O ATOM 41 CG2 THR A 4 -9.292 1.976 7.934 1.00 0.00 C ATOM 0 H THR A 4 -11.462 -0.298 7.985 1.00 0.00 H new ATOM 0 HA THR A 4 -11.020 0.424 5.872 1.00 0.00 H new ATOM 0 HB THR A 4 -9.455 2.056 5.787 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.697 0.331 7.373 1.00 0.00 H new ATOM 0 HG21 THR A 4 -8.615 2.830 7.976 1.00 0.00 H new ATOM 0 HG22 THR A 4 -10.313 2.313 8.113 1.00 0.00 H new ATOM 0 HG23 THR A 4 -9.010 1.252 8.698 1.00 0.00 H new ATOM 49 N ALA A 5 -8.711 -0.651 4.628 1.00 0.00 N ATOM 50 CA ALA A 5 -8.062 -1.630 3.772 1.00 0.00 C ATOM 51 C ALA A 5 -6.953 -2.333 4.555 1.00 0.00 C ATOM 52 O ALA A 5 -6.075 -1.678 5.117 1.00 0.00 O ATOM 53 CB ALA A 5 -7.537 -0.936 2.512 1.00 0.00 C ATOM 0 H ALA A 5 -8.487 0.320 4.411 1.00 0.00 H new ATOM 0 HA ALA A 5 -8.773 -2.393 3.454 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.050 -1.669 1.869 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.368 -0.478 1.976 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -6.819 -0.166 2.793 1.00 0.00 H new ATOM 59 N THR A 6 -7.030 -3.655 4.572 1.00 0.00 N ATOM 60 CA THR A 6 -6.043 -4.454 5.279 1.00 0.00 C ATOM 61 C THR A 6 -5.675 -5.693 4.460 1.00 0.00 C ATOM 62 O THR A 6 -6.504 -6.223 3.722 1.00 0.00 O ATOM 63 CB THR A 6 -6.606 -4.785 6.662 1.00 0.00 C ATOM 64 OG1 THR A 6 -8.004 -4.949 6.439 1.00 0.00 O ATOM 65 CG2 THR A 6 -6.519 -3.602 7.628 1.00 0.00 C ATOM 0 H THR A 6 -7.761 -4.194 4.107 1.00 0.00 H new ATOM 0 HA THR A 6 -5.112 -3.904 5.415 1.00 0.00 H new ATOM 0 HB THR A 6 -6.066 -5.635 7.079 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.447 -5.167 7.286 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.932 -3.890 8.595 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.476 -3.309 7.752 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.087 -2.762 7.227 1.00 0.00 H new ATOM 73 N VAL A 7 -4.429 -6.119 4.620 1.00 0.00 N ATOM 74 CA VAL A 7 -3.942 -7.286 3.904 1.00 0.00 C ATOM 75 C VAL A 7 -4.290 -8.547 4.697 1.00 0.00 C ATOM 76 O VAL A 7 -3.953 -8.654 5.874 1.00 0.00 O ATOM 77 CB VAL A 7 -2.442 -7.145 3.633 1.00 0.00 C ATOM 78 CG1 VAL A 7 -1.878 -8.413 2.993 1.00 0.00 C ATOM 79 CG2 VAL A 7 -2.156 -5.917 2.763 1.00 0.00 C ATOM 0 H VAL A 7 -3.744 -5.677 5.234 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.428 -7.369 2.932 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.941 -7.003 4.590 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.811 -8.285 2.811 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.033 -9.259 3.663 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.387 -8.601 2.048 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.083 -5.839 2.585 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.676 -6.017 1.810 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.505 -5.020 3.274 1.00 0.00 H new ATOM 89 N THR A 8 -4.955 -9.468 4.019 1.00 0.00 N ATOM 90 CA THR A 8 -5.352 -10.717 4.645 1.00 0.00 C ATOM 91 C THR A 8 -4.349 -11.113 5.730 1.00 0.00 C ATOM 92 O THR A 8 -4.672 -11.090 6.918 1.00 0.00 O ATOM 93 CB THR A 8 -5.504 -11.770 3.545 1.00 0.00 C ATOM 94 OG1 THR A 8 -6.894 -11.749 3.232 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.259 -13.192 4.058 1.00 0.00 C ATOM 0 H THR A 8 -5.230 -9.375 3.041 1.00 0.00 H new ATOM 0 HA THR A 8 -6.311 -10.616 5.154 1.00 0.00 H new ATOM 0 HB THR A 8 -4.808 -11.551 2.735 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.080 -12.402 2.525 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.379 -13.900 3.238 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.247 -13.266 4.456 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.976 -13.423 4.845 1.00 0.00 H new ATOM 103 N PRO A 9 -3.120 -11.474 5.272 1.00 0.00 N ATOM 104 CA PRO A 9 -2.067 -11.871 6.192 1.00 0.00 C ATOM 105 C PRO A 9 -1.480 -10.657 6.913 1.00 0.00 C ATOM 106 O PRO A 9 -2.120 -9.610 6.996 1.00 0.00 O ATOM 107 CB PRO A 9 -1.048 -12.600 5.329 1.00 0.00 C ATOM 108 CG PRO A 9 -1.338 -12.180 3.898 1.00 0.00 C ATOM 109 CD PRO A 9 -2.702 -11.511 3.875 1.00 0.00 C ATOM 0 HA PRO A 9 -2.429 -12.517 6.992 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.031 -12.333 5.616 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.139 -13.680 5.445 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -0.571 -11.494 3.539 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.327 -13.046 3.236 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.644 -10.508 3.452 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.409 -12.074 3.265 1.00 0.00 H new ATOM 117 N SER A 10 -0.267 -10.837 7.416 1.00 0.00 N ATOM 118 CA SER A 10 0.414 -9.768 8.127 1.00 0.00 C ATOM 119 C SER A 10 1.925 -9.885 7.925 1.00 0.00 C ATOM 120 O SER A 10 2.513 -9.126 7.158 1.00 0.00 O ATOM 121 CB SER A 10 0.074 -9.796 9.619 1.00 0.00 C ATOM 122 OG SER A 10 0.218 -11.099 10.176 1.00 0.00 O ATOM 0 H SER A 10 0.261 -11.707 7.345 1.00 0.00 H new ATOM 0 HA SER A 10 0.073 -8.816 7.722 1.00 0.00 H new ATOM 0 HB2 SER A 10 0.723 -9.101 10.152 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.950 -9.451 9.764 1.00 0.00 H new ATOM 0 HG SER A 10 -0.007 -11.074 11.130 1.00 0.00 H new ATOM 128 N SER A 11 2.512 -10.843 8.630 1.00 0.00 N ATOM 129 CA SER A 11 3.944 -11.069 8.538 1.00 0.00 C ATOM 130 C SER A 11 4.220 -12.373 7.783 1.00 0.00 C ATOM 131 O SER A 11 3.425 -13.309 7.841 1.00 0.00 O ATOM 132 CB SER A 11 4.584 -11.116 9.927 1.00 0.00 C ATOM 133 OG SER A 11 6.001 -11.246 9.857 1.00 0.00 O ATOM 0 H SER A 11 2.021 -11.471 9.267 1.00 0.00 H new ATOM 0 HA SER A 11 4.387 -10.237 7.990 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.330 -10.208 10.474 1.00 0.00 H new ATOM 0 HB3 SER A 11 4.170 -11.953 10.489 1.00 0.00 H new ATOM 0 HG SER A 11 6.372 -11.271 10.764 1.00 0.00 H new ATOM 139 N GLY A 12 5.350 -12.388 7.091 1.00 0.00 N ATOM 140 CA GLY A 12 5.741 -13.560 6.326 1.00 0.00 C ATOM 141 C GLY A 12 5.360 -13.404 4.852 1.00 0.00 C ATOM 142 O GLY A 12 5.120 -14.392 4.161 1.00 0.00 O ATOM 0 H GLY A 12 6.006 -11.609 7.044 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.817 -13.714 6.413 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.258 -14.446 6.739 1.00 0.00 H new ATOM 146 N LEU A 13 5.317 -12.154 4.414 1.00 0.00 N ATOM 147 CA LEU A 13 4.968 -11.856 3.035 1.00 0.00 C ATOM 148 C LEU A 13 6.228 -11.931 2.169 1.00 0.00 C ATOM 149 O LEU A 13 7.344 -11.925 2.687 1.00 0.00 O ATOM 150 CB LEU A 13 4.239 -10.514 2.944 1.00 0.00 C ATOM 151 CG LEU A 13 3.326 -10.168 4.123 1.00 0.00 C ATOM 152 CD1 LEU A 13 2.304 -9.100 3.726 1.00 0.00 C ATOM 153 CD2 LEU A 13 2.656 -11.422 4.685 1.00 0.00 C ATOM 0 H LEU A 13 5.518 -11.336 4.990 1.00 0.00 H new ATOM 0 HA LEU A 13 4.269 -12.598 2.650 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.983 -9.724 2.842 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.641 -10.508 2.033 1.00 0.00 H new ATOM 0 HG LEU A 13 3.940 -9.748 4.920 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.667 -8.871 4.580 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.826 -8.197 3.410 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.691 -9.471 2.905 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.013 -11.147 5.521 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.057 -11.894 3.907 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.420 -12.120 5.028 1.00 0.00 H new ATOM 165 N SER A 14 6.007 -11.998 0.864 1.00 0.00 N ATOM 166 CA SER A 14 7.110 -12.075 -0.078 1.00 0.00 C ATOM 167 C SER A 14 6.966 -10.981 -1.139 1.00 0.00 C ATOM 168 O SER A 14 5.878 -10.445 -1.343 1.00 0.00 O ATOM 169 CB SER A 14 7.174 -13.451 -0.744 1.00 0.00 C ATOM 170 OG SER A 14 8.512 -13.834 -1.051 1.00 0.00 O ATOM 0 H SER A 14 5.081 -12.001 0.437 1.00 0.00 H new ATOM 0 HA SER A 14 8.039 -11.924 0.471 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.727 -14.194 -0.084 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.581 -13.439 -1.659 1.00 0.00 H new ATOM 0 HG SER A 14 8.510 -14.718 -1.473 1.00 0.00 H new ATOM 176 N ASP A 15 8.083 -10.679 -1.786 1.00 0.00 N ATOM 177 CA ASP A 15 8.097 -9.659 -2.821 1.00 0.00 C ATOM 178 C ASP A 15 7.207 -10.105 -3.984 1.00 0.00 C ATOM 179 O ASP A 15 7.692 -10.328 -5.092 1.00 0.00 O ATOM 180 CB ASP A 15 9.510 -9.441 -3.363 1.00 0.00 C ATOM 181 CG ASP A 15 10.291 -10.724 -3.666 1.00 0.00 C ATOM 182 OD1 ASP A 15 10.616 -11.433 -2.691 1.00 0.00 O ATOM 183 OD2 ASP A 15 10.541 -10.965 -4.866 1.00 0.00 O ATOM 0 H ASP A 15 8.985 -11.123 -1.613 1.00 0.00 H new ATOM 0 HA ASP A 15 7.733 -8.730 -2.382 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.446 -8.848 -4.276 1.00 0.00 H new ATOM 0 HB3 ASP A 15 10.074 -8.852 -2.640 1.00 0.00 H new ATOM 189 N GLY A 16 5.920 -10.222 -3.691 1.00 0.00 N ATOM 190 CA GLY A 16 4.959 -10.639 -4.697 1.00 0.00 C ATOM 191 C GLY A 16 3.940 -11.618 -4.113 1.00 0.00 C ATOM 192 O GLY A 16 3.551 -12.580 -4.771 1.00 0.00 O ATOM 0 H GLY A 16 5.521 -10.035 -2.771 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.442 -9.766 -5.095 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.481 -11.108 -5.531 1.00 0.00 H new ATOM 196 N THR A 17 3.537 -11.337 -2.881 1.00 0.00 N ATOM 197 CA THR A 17 2.573 -12.184 -2.199 1.00 0.00 C ATOM 198 C THR A 17 1.152 -11.671 -2.441 1.00 0.00 C ATOM 199 O THR A 17 0.808 -10.565 -2.029 1.00 0.00 O ATOM 200 CB THR A 17 2.955 -12.239 -0.719 1.00 0.00 C ATOM 201 OG1 THR A 17 3.855 -13.340 -0.634 1.00 0.00 O ATOM 202 CG2 THR A 17 1.782 -12.647 0.176 1.00 0.00 C ATOM 0 H THR A 17 3.860 -10.536 -2.339 1.00 0.00 H new ATOM 0 HA THR A 17 2.591 -13.201 -2.591 1.00 0.00 H new ATOM 0 HB THR A 17 3.328 -11.264 -0.405 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.906 -13.650 0.294 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.109 -12.670 1.216 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.972 -11.926 0.066 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.429 -13.636 -0.115 1.00 0.00 H new ATOM 210 N VAL A 18 0.362 -12.502 -3.106 1.00 0.00 N ATOM 211 CA VAL A 18 -1.014 -12.147 -3.408 1.00 0.00 C ATOM 212 C VAL A 18 -1.853 -12.249 -2.131 1.00 0.00 C ATOM 213 O VAL A 18 -1.821 -13.268 -1.444 1.00 0.00 O ATOM 214 CB VAL A 18 -1.544 -13.023 -4.543 1.00 0.00 C ATOM 215 CG1 VAL A 18 -2.656 -12.309 -5.313 1.00 0.00 C ATOM 216 CG2 VAL A 18 -0.412 -13.446 -5.483 1.00 0.00 C ATOM 0 H VAL A 18 0.649 -13.420 -3.444 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.075 -11.116 -3.757 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.968 -13.924 -4.100 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.015 -12.954 -6.115 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.478 -12.080 -4.635 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.268 -11.384 -5.738 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.816 -14.068 -6.282 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.054 -12.560 -5.914 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.333 -14.012 -4.924 1.00 0.00 H new ATOM 226 N VAL A 19 -2.584 -11.179 -1.855 1.00 0.00 N ATOM 227 CA VAL A 19 -3.431 -11.137 -0.675 1.00 0.00 C ATOM 228 C VAL A 19 -4.699 -10.341 -0.991 1.00 0.00 C ATOM 229 O VAL A 19 -4.762 -9.641 -2.000 1.00 0.00 O ATOM 230 CB VAL A 19 -2.647 -10.566 0.510 1.00 0.00 C ATOM 231 CG1 VAL A 19 -1.581 -11.552 0.986 1.00 0.00 C ATOM 232 CG2 VAL A 19 -2.026 -9.213 0.155 1.00 0.00 C ATOM 0 H VAL A 19 -2.607 -10.335 -2.428 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.741 -12.143 -0.390 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.346 -10.407 1.331 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.038 -11.123 1.828 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.058 -12.481 1.297 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.885 -11.756 0.172 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.475 -8.829 1.013 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.346 -9.335 -0.688 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.815 -8.510 -0.114 1.00 0.00 H new ATOM 242 N LYS A 20 -5.680 -10.480 -0.111 1.00 0.00 N ATOM 243 CA LYS A 20 -6.944 -9.782 -0.284 1.00 0.00 C ATOM 244 C LYS A 20 -6.946 -8.515 0.574 1.00 0.00 C ATOM 245 O LYS A 20 -6.729 -8.581 1.784 1.00 0.00 O ATOM 246 CB LYS A 20 -8.116 -10.723 0.005 1.00 0.00 C ATOM 247 CG LYS A 20 -9.417 -10.174 -0.581 1.00 0.00 C ATOM 248 CD LYS A 20 -10.553 -11.189 -0.448 1.00 0.00 C ATOM 249 CE LYS A 20 -11.350 -11.296 -1.750 1.00 0.00 C ATOM 250 NZ LYS A 20 -12.531 -12.168 -1.564 1.00 0.00 N ATOM 0 H LYS A 20 -5.626 -11.065 0.723 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.066 -9.464 -1.319 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.910 -11.707 -0.417 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.225 -10.854 1.082 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.689 -9.251 -0.069 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.269 -9.925 -1.632 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.144 -12.165 -0.187 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.216 -10.893 0.365 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -11.670 -10.304 -2.070 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.715 -11.697 -2.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -13.061 -12.230 -2.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -12.219 -13.119 -1.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -13.144 -11.769 -0.825 1.00 0.00 H new ATOM 264 N VAL A 21 -7.190 -7.394 -0.085 1.00 0.00 N ATOM 265 CA VAL A 21 -7.223 -6.114 0.603 1.00 0.00 C ATOM 266 C VAL A 21 -8.675 -5.726 0.881 1.00 0.00 C ATOM 267 O VAL A 21 -9.341 -5.141 0.028 1.00 0.00 O ATOM 268 CB VAL A 21 -6.469 -5.062 -0.215 1.00 0.00 C ATOM 269 CG1 VAL A 21 -6.118 -3.847 0.645 1.00 0.00 C ATOM 270 CG2 VAL A 21 -5.214 -5.659 -0.857 1.00 0.00 C ATOM 0 H VAL A 21 -7.367 -7.344 -1.088 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.716 -6.184 1.565 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.128 -4.728 -1.016 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.583 -3.115 0.040 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.033 -3.399 1.032 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.487 -4.160 1.477 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.698 -4.890 -1.432 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.551 -6.036 -0.078 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.498 -6.477 -1.519 1.00 0.00 H new ATOM 280 N ALA A 22 -9.125 -6.068 2.080 1.00 0.00 N ATOM 281 CA ALA A 22 -10.487 -5.760 2.482 1.00 0.00 C ATOM 282 C ALA A 22 -10.524 -4.378 3.133 1.00 0.00 C ATOM 283 O ALA A 22 -9.861 -4.144 4.141 1.00 0.00 O ATOM 284 CB ALA A 22 -11.002 -6.859 3.414 1.00 0.00 C ATOM 0 H ALA A 22 -8.571 -6.555 2.785 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.146 -5.731 1.615 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.024 -6.630 3.717 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.984 -7.816 2.893 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.366 -6.915 4.297 1.00 0.00 H new ATOM 290 N GLY A 23 -11.309 -3.495 2.530 1.00 0.00 N ATOM 291 CA GLY A 23 -11.442 -2.142 3.039 1.00 0.00 C ATOM 292 C GLY A 23 -12.840 -1.904 3.609 1.00 0.00 C ATOM 293 O GLY A 23 -13.773 -1.591 2.868 1.00 0.00 O ATOM 0 H GLY A 23 -11.859 -3.692 1.694 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.695 -1.966 3.813 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.246 -1.428 2.239 1.00 0.00 H new ATOM 297 N ALA A 24 -12.946 -2.061 4.921 1.00 0.00 N ATOM 298 CA ALA A 24 -14.216 -1.867 5.598 1.00 0.00 C ATOM 299 C ALA A 24 -14.249 -0.470 6.222 1.00 0.00 C ATOM 300 O ALA A 24 -13.632 -0.234 7.259 1.00 0.00 O ATOM 301 CB ALA A 24 -14.414 -2.972 6.638 1.00 0.00 C ATOM 0 H ALA A 24 -12.172 -2.321 5.533 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.042 -1.932 4.889 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -15.367 -2.827 7.146 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -14.411 -3.943 6.142 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.605 -2.935 7.367 1.00 0.00 H new ATOM 307 N GLY A 25 -14.976 0.420 5.561 1.00 0.00 N ATOM 308 CA GLY A 25 -15.097 1.788 6.036 1.00 0.00 C ATOM 309 C GLY A 25 -14.220 2.734 5.216 1.00 0.00 C ATOM 310 O GLY A 25 -13.977 3.869 5.621 1.00 0.00 O ATOM 0 H GLY A 25 -15.487 0.220 4.701 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -16.138 2.107 5.975 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -14.809 1.839 7.086 1.00 0.00 H new ATOM 314 N LEU A 26 -13.767 2.232 4.076 1.00 0.00 N ATOM 315 CA LEU A 26 -12.921 3.018 3.196 1.00 0.00 C ATOM 316 C LEU A 26 -13.799 3.897 2.303 1.00 0.00 C ATOM 317 O LEU A 26 -14.831 4.401 2.745 1.00 0.00 O ATOM 318 CB LEU A 26 -11.969 2.110 2.416 1.00 0.00 C ATOM 319 CG LEU A 26 -10.545 2.635 2.223 1.00 0.00 C ATOM 320 CD1 LEU A 26 -10.555 4.122 1.859 1.00 0.00 C ATOM 321 CD2 LEU A 26 -9.684 2.354 3.457 1.00 0.00 C ATOM 0 H LEU A 26 -13.971 1.290 3.742 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.285 3.686 3.777 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -11.914 1.150 2.928 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.402 1.923 1.433 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.094 2.100 1.387 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.531 4.471 1.727 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.110 4.266 0.932 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.032 4.689 2.659 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.677 2.737 3.293 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.122 2.845 4.326 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.639 1.279 3.632 1.00 0.00 H new ATOM 333 N GLN A 27 -13.354 4.059 1.065 1.00 0.00 N ATOM 334 CA GLN A 27 -14.087 4.871 0.108 1.00 0.00 C ATOM 335 C GLN A 27 -15.563 4.466 0.089 1.00 0.00 C ATOM 336 O GLN A 27 -15.961 3.589 -0.675 1.00 0.00 O ATOM 337 CB GLN A 27 -13.472 4.761 -1.289 1.00 0.00 C ATOM 338 CG GLN A 27 -12.157 5.539 -1.372 1.00 0.00 C ATOM 339 CD GLN A 27 -12.284 6.902 -0.685 1.00 0.00 C ATOM 340 OE1 GLN A 27 -12.851 7.843 -1.213 1.00 0.00 O ATOM 341 NE2 GLN A 27 -11.723 6.953 0.521 1.00 0.00 N ATOM 0 H GLN A 27 -12.496 3.642 0.703 1.00 0.00 H new ATOM 0 HA GLN A 27 -14.019 5.914 0.419 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.295 3.713 -1.531 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -14.173 5.145 -2.030 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -11.359 4.964 -0.902 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -11.878 5.678 -2.416 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -11.263 6.127 0.905 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -11.753 7.818 1.061 1.00 0.00 H new ATOM 350 N ALA A 28 -16.336 5.127 0.940 1.00 0.00 N ATOM 351 CA ALA A 28 -17.758 4.849 1.031 1.00 0.00 C ATOM 352 C ALA A 28 -18.405 5.064 -0.339 1.00 0.00 C ATOM 353 O ALA A 28 -18.949 6.131 -0.612 1.00 0.00 O ATOM 354 CB ALA A 28 -18.383 5.730 2.115 1.00 0.00 C ATOM 0 H ALA A 28 -16.003 5.855 1.572 1.00 0.00 H new ATOM 0 HA ALA A 28 -17.928 3.811 1.316 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.451 5.521 2.183 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.910 5.518 3.074 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -18.234 6.780 1.861 1.00 0.00 H new ATOM 360 N GLY A 29 -18.320 4.031 -1.166 1.00 0.00 N ATOM 361 CA GLY A 29 -18.889 4.093 -2.500 1.00 0.00 C ATOM 362 C GLY A 29 -18.014 4.936 -3.431 1.00 0.00 C ATOM 363 O GLY A 29 -18.390 5.197 -4.574 1.00 0.00 O ATOM 0 H GLY A 29 -17.865 3.147 -0.937 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -18.990 3.085 -2.903 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -19.891 4.519 -2.452 1.00 0.00 H new ATOM 367 N THR A 30 -16.866 5.337 -2.909 1.00 0.00 N ATOM 368 CA THR A 30 -15.935 6.146 -3.677 1.00 0.00 C ATOM 369 C THR A 30 -14.941 5.252 -4.420 1.00 0.00 C ATOM 370 O THR A 30 -15.043 4.028 -4.367 1.00 0.00 O ATOM 371 CB THR A 30 -15.266 7.137 -2.722 1.00 0.00 C ATOM 372 OG1 THR A 30 -15.899 6.889 -1.468 1.00 0.00 O ATOM 373 CG2 THR A 30 -15.627 8.590 -3.039 1.00 0.00 C ATOM 0 H THR A 30 -16.558 5.117 -1.962 1.00 0.00 H new ATOM 0 HA THR A 30 -16.451 6.717 -4.449 1.00 0.00 H new ATOM 0 HB THR A 30 -14.184 7.013 -2.768 1.00 0.00 H new ATOM 0 HG1 THR A 30 -15.525 7.488 -0.788 1.00 0.00 H new ATOM 0 HG21 THR A 30 -15.126 9.252 -2.332 1.00 0.00 H new ATOM 0 HG22 THR A 30 -15.306 8.832 -4.052 1.00 0.00 H new ATOM 0 HG23 THR A 30 -16.706 8.723 -2.959 1.00 0.00 H new ATOM 381 N ALA A 31 -14.001 5.900 -5.095 1.00 0.00 N ATOM 382 CA ALA A 31 -12.988 5.179 -5.846 1.00 0.00 C ATOM 383 C ALA A 31 -11.626 5.834 -5.616 1.00 0.00 C ATOM 384 O ALA A 31 -11.398 6.965 -6.044 1.00 0.00 O ATOM 385 CB ALA A 31 -13.379 5.145 -7.326 1.00 0.00 C ATOM 0 H ALA A 31 -13.921 6.916 -5.137 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.917 4.147 -5.504 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.620 4.604 -7.891 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -14.340 4.643 -7.437 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.456 6.164 -7.705 1.00 0.00 H new ATOM 391 N TYR A 32 -10.756 5.099 -4.943 1.00 0.00 N ATOM 392 CA TYR A 32 -9.421 5.593 -4.653 1.00 0.00 C ATOM 393 C TYR A 32 -8.356 4.721 -5.317 1.00 0.00 C ATOM 394 O TYR A 32 -8.663 3.656 -5.849 1.00 0.00 O ATOM 395 CB TYR A 32 -9.261 5.507 -3.133 1.00 0.00 C ATOM 396 CG TYR A 32 -9.654 6.785 -2.390 1.00 0.00 C ATOM 397 CD1 TYR A 32 -10.459 7.721 -3.008 1.00 0.00 C ATOM 398 CD2 TYR A 32 -9.206 7.005 -1.105 1.00 0.00 C ATOM 399 CE1 TYR A 32 -10.829 8.925 -2.309 1.00 0.00 C ATOM 400 CE2 TYR A 32 -9.574 8.207 -0.408 1.00 0.00 C ATOM 401 CZ TYR A 32 -10.369 9.110 -1.044 1.00 0.00 C ATOM 402 OH TYR A 32 -10.718 10.247 -0.384 1.00 0.00 O ATOM 0 H TYR A 32 -10.949 4.162 -4.589 1.00 0.00 H new ATOM 0 HA TYR A 32 -9.298 6.608 -5.030 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -9.868 4.682 -2.761 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -8.223 5.269 -2.901 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.811 7.551 -4.015 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -8.577 6.273 -0.621 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -11.459 9.665 -2.780 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -9.227 8.390 0.598 1.00 0.00 H new ATOM 0 HH TYR A 32 -10.317 10.242 0.510 1.00 0.00 H new ATOM 412 N ASP A 33 -7.122 5.203 -5.262 1.00 0.00 N ATOM 413 CA ASP A 33 -6.008 4.481 -5.851 1.00 0.00 C ATOM 414 C ASP A 33 -5.426 3.518 -4.815 1.00 0.00 C ATOM 415 O ASP A 33 -5.025 3.935 -3.729 1.00 0.00 O ATOM 416 CB ASP A 33 -4.898 5.440 -6.284 1.00 0.00 C ATOM 417 CG ASP A 33 -4.862 5.756 -7.780 1.00 0.00 C ATOM 418 OD1 ASP A 33 -5.024 6.949 -8.112 1.00 0.00 O ATOM 419 OD2 ASP A 33 -4.674 4.796 -8.557 1.00 0.00 O ATOM 0 H ASP A 33 -6.870 6.086 -4.818 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.378 3.942 -6.723 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.011 6.374 -5.734 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.937 5.014 -5.995 1.00 0.00 H new ATOM 425 N VAL A 34 -5.397 2.246 -5.187 1.00 0.00 N ATOM 426 CA VAL A 34 -4.868 1.220 -4.303 1.00 0.00 C ATOM 427 C VAL A 34 -3.351 1.138 -4.474 1.00 0.00 C ATOM 428 O VAL A 34 -2.842 1.219 -5.591 1.00 0.00 O ATOM 429 CB VAL A 34 -5.573 -0.111 -4.568 1.00 0.00 C ATOM 430 CG1 VAL A 34 -4.629 -1.107 -5.245 1.00 0.00 C ATOM 431 CG2 VAL A 34 -6.148 -0.693 -3.277 1.00 0.00 C ATOM 0 H VAL A 34 -5.731 1.903 -6.088 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.063 1.475 -3.261 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.403 0.080 -5.249 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.156 -2.045 -5.422 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.289 -0.697 -6.196 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.769 -1.290 -4.600 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.644 -1.639 -3.494 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.342 -0.861 -2.563 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.869 0.006 -2.852 1.00 0.00 H new ATOM 441 N GLY A 35 -2.668 0.978 -3.349 1.00 0.00 N ATOM 442 CA GLY A 35 -1.219 0.883 -3.358 1.00 0.00 C ATOM 443 C GLY A 35 -0.644 1.104 -1.960 1.00 0.00 C ATOM 444 O GLY A 35 -1.166 1.907 -1.189 1.00 0.00 O ATOM 0 H GLY A 35 -3.093 0.912 -2.424 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.918 -0.097 -3.727 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.807 1.623 -4.045 1.00 0.00 H new ATOM 448 N GLN A 36 0.423 0.372 -1.669 1.00 0.00 N ATOM 449 CA GLN A 36 1.073 0.478 -0.375 1.00 0.00 C ATOM 450 C GLN A 36 2.201 1.509 -0.430 1.00 0.00 C ATOM 451 O GLN A 36 3.152 1.356 -1.194 1.00 0.00 O ATOM 452 CB GLN A 36 1.597 -0.883 0.089 1.00 0.00 C ATOM 453 CG GLN A 36 2.809 -1.315 -0.740 1.00 0.00 C ATOM 454 CD GLN A 36 2.370 -2.005 -2.034 1.00 0.00 C ATOM 455 OE1 GLN A 36 1.349 -2.671 -2.099 1.00 0.00 O ATOM 456 NE2 GLN A 36 3.194 -1.809 -3.058 1.00 0.00 N ATOM 0 H GLN A 36 0.853 -0.297 -2.308 1.00 0.00 H new ATOM 0 HA GLN A 36 0.335 0.814 0.353 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.872 -0.831 1.142 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.808 -1.630 0.002 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.421 -0.445 -0.977 1.00 0.00 H new ATOM 0 HG3 GLN A 36 3.431 -1.992 -0.155 1.00 0.00 H new ATOM 0 HE21 GLN A 36 4.032 -1.241 -2.937 1.00 0.00 H new ATOM 0 HE22 GLN A 36 2.988 -2.227 -3.965 1.00 0.00 H new ATOM 465 N CYS A 37 2.059 2.541 0.391 1.00 0.00 N ATOM 466 CA CYS A 37 3.054 3.596 0.446 1.00 0.00 C ATOM 467 C CYS A 37 3.791 3.495 1.782 1.00 0.00 C ATOM 468 O CYS A 37 3.247 2.982 2.760 1.00 0.00 O ATOM 469 CB CYS A 37 2.424 4.977 0.246 1.00 0.00 C ATOM 470 SG CYS A 37 3.499 6.196 -0.596 1.00 0.00 S ATOM 0 H CYS A 37 1.269 2.667 1.023 1.00 0.00 H new ATOM 0 HA CYS A 37 3.766 3.470 -0.370 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.507 4.862 -0.332 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.140 5.376 1.220 1.00 0.00 H new ATOM 475 N ALA A 38 5.020 3.990 1.784 1.00 0.00 N ATOM 476 CA ALA A 38 5.836 3.960 2.986 1.00 0.00 C ATOM 477 C ALA A 38 7.057 4.863 2.789 1.00 0.00 C ATOM 478 O ALA A 38 7.498 5.080 1.660 1.00 0.00 O ATOM 479 CB ALA A 38 6.226 2.516 3.303 1.00 0.00 C ATOM 0 H ALA A 38 5.470 4.414 0.973 1.00 0.00 H new ATOM 0 HA ALA A 38 5.276 4.341 3.840 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.838 2.494 4.205 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.326 1.922 3.461 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.793 2.101 2.470 1.00 0.00 H new ATOM 485 N TRP A 39 7.565 5.366 3.904 1.00 0.00 N ATOM 486 CA TRP A 39 8.725 6.243 3.868 1.00 0.00 C ATOM 487 C TRP A 39 9.939 5.403 3.469 1.00 0.00 C ATOM 488 O TRP A 39 10.441 4.611 4.266 1.00 0.00 O ATOM 489 CB TRP A 39 8.909 6.963 5.207 1.00 0.00 C ATOM 490 CG TRP A 39 8.753 6.054 6.428 1.00 0.00 C ATOM 491 CD1 TRP A 39 7.625 5.716 7.065 1.00 0.00 C ATOM 492 CD2 TRP A 39 9.814 5.378 7.137 1.00 0.00 C ATOM 493 NE1 TRP A 39 7.879 4.873 8.131 1.00 0.00 N ATOM 494 CE2 TRP A 39 9.251 4.663 8.175 1.00 0.00 C ATOM 495 CE3 TRP A 39 11.202 5.371 6.910 1.00 0.00 C ATOM 496 CZ2 TRP A 39 10.003 3.888 9.068 1.00 0.00 C ATOM 497 CZ3 TRP A 39 11.938 4.593 7.811 1.00 0.00 C ATOM 498 CH2 TRP A 39 11.387 3.866 8.860 1.00 0.00 C ATOM 0 H TRP A 39 7.196 5.184 4.837 1.00 0.00 H new ATOM 0 HA TRP A 39 8.590 7.033 3.129 1.00 0.00 H new ATOM 0 HB2 TRP A 39 9.899 7.419 5.230 1.00 0.00 H new ATOM 0 HB3 TRP A 39 8.183 7.774 5.275 1.00 0.00 H new ATOM 0 HD1 TRP A 39 6.641 6.059 6.782 1.00 0.00 H new ATOM 0 HE1 TRP A 39 7.187 4.478 8.768 1.00 0.00 H new ATOM 0 HE3 TRP A 39 11.663 5.922 6.104 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 9.540 3.337 9.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 13.010 4.555 7.682 1.00 0.00 H new ATOM 0 HH2 TRP A 39 12.024 3.287 9.512 1.00 0.00 H new ATOM 509 N VAL A 40 10.378 5.603 2.236 1.00 0.00 N ATOM 510 CA VAL A 40 11.525 4.873 1.721 1.00 0.00 C ATOM 511 C VAL A 40 12.801 5.660 2.021 1.00 0.00 C ATOM 512 O VAL A 40 13.790 5.093 2.484 1.00 0.00 O ATOM 513 CB VAL A 40 11.336 4.587 0.230 1.00 0.00 C ATOM 514 CG1 VAL A 40 12.112 5.592 -0.624 1.00 0.00 C ATOM 515 CG2 VAL A 40 11.742 3.151 -0.109 1.00 0.00 C ATOM 0 H VAL A 40 9.960 6.260 1.577 1.00 0.00 H new ATOM 0 HA VAL A 40 11.616 3.906 2.215 1.00 0.00 H new ATOM 0 HB VAL A 40 10.277 4.699 -0.001 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.960 5.366 -1.680 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.755 6.600 -0.414 1.00 0.00 H new ATOM 0 HG13 VAL A 40 13.174 5.527 -0.388 1.00 0.00 H new ATOM 0 HG21 VAL A 40 11.598 2.974 -1.175 1.00 0.00 H new ATOM 0 HG22 VAL A 40 12.791 3.000 0.145 1.00 0.00 H new ATOM 0 HG23 VAL A 40 11.127 2.455 0.461 1.00 0.00 H new ATOM 525 N ASP A 41 12.739 6.955 1.746 1.00 0.00 N ATOM 526 CA ASP A 41 13.879 7.826 1.981 1.00 0.00 C ATOM 527 C ASP A 41 13.846 8.321 3.429 1.00 0.00 C ATOM 528 O ASP A 41 13.107 7.787 4.254 1.00 0.00 O ATOM 529 CB ASP A 41 13.836 9.049 1.062 1.00 0.00 C ATOM 530 CG ASP A 41 15.154 9.375 0.359 1.00 0.00 C ATOM 531 OD1 ASP A 41 16.206 9.014 0.931 1.00 0.00 O ATOM 532 OD2 ASP A 41 15.081 9.976 -0.733 1.00 0.00 O ATOM 0 H ASP A 41 11.917 7.422 1.363 1.00 0.00 H new ATOM 0 HA ASP A 41 14.786 7.256 1.781 1.00 0.00 H new ATOM 0 HB2 ASP A 41 13.068 8.889 0.305 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.531 9.915 1.649 1.00 0.00 H new ATOM 538 N THR A 42 14.658 9.334 3.692 1.00 0.00 N ATOM 539 CA THR A 42 14.731 9.908 5.025 1.00 0.00 C ATOM 540 C THR A 42 13.377 10.493 5.429 1.00 0.00 C ATOM 541 O THR A 42 13.175 11.704 5.361 1.00 0.00 O ATOM 542 CB THR A 42 15.865 10.934 5.037 1.00 0.00 C ATOM 543 OG1 THR A 42 17.049 10.143 5.101 1.00 0.00 O ATOM 544 CG2 THR A 42 15.897 11.756 6.327 1.00 0.00 C ATOM 0 H THR A 42 15.271 9.772 3.005 1.00 0.00 H new ATOM 0 HA THR A 42 14.956 9.146 5.772 1.00 0.00 H new ATOM 0 HB THR A 42 15.758 11.602 4.183 1.00 0.00 H new ATOM 0 HG1 THR A 42 17.834 10.729 5.111 1.00 0.00 H new ATOM 0 HG21 THR A 42 16.720 12.469 6.284 1.00 0.00 H new ATOM 0 HG22 THR A 42 14.956 12.295 6.439 1.00 0.00 H new ATOM 0 HG23 THR A 42 16.037 11.091 7.179 1.00 0.00 H new ATOM 552 N GLY A 43 12.485 9.605 5.843 1.00 0.00 N ATOM 553 CA GLY A 43 11.154 10.019 6.260 1.00 0.00 C ATOM 554 C GLY A 43 10.349 10.549 5.072 1.00 0.00 C ATOM 555 O GLY A 43 9.419 11.335 5.246 1.00 0.00 O ATOM 0 H GLY A 43 12.657 8.601 5.899 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.631 9.176 6.711 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.232 10.792 7.025 1.00 0.00 H new ATOM 559 N VAL A 44 10.734 10.095 3.886 1.00 0.00 N ATOM 560 CA VAL A 44 10.058 10.514 2.670 1.00 0.00 C ATOM 561 C VAL A 44 9.084 9.418 2.231 1.00 0.00 C ATOM 562 O VAL A 44 9.500 8.375 1.729 1.00 0.00 O ATOM 563 CB VAL A 44 11.087 10.862 1.594 1.00 0.00 C ATOM 564 CG1 VAL A 44 10.410 11.460 0.359 1.00 0.00 C ATOM 565 CG2 VAL A 44 12.157 11.809 2.145 1.00 0.00 C ATOM 0 H VAL A 44 11.504 9.442 3.743 1.00 0.00 H new ATOM 0 HA VAL A 44 9.475 11.417 2.849 1.00 0.00 H new ATOM 0 HB VAL A 44 11.580 9.938 1.291 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.165 11.698 -0.390 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.704 10.739 -0.054 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.878 12.369 0.640 1.00 0.00 H new ATOM 0 HG21 VAL A 44 12.877 12.041 1.360 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.686 12.730 2.489 1.00 0.00 H new ATOM 0 HG23 VAL A 44 12.671 11.331 2.979 1.00 0.00 H new ATOM 575 N LEU A 45 7.804 9.693 2.438 1.00 0.00 N ATOM 576 CA LEU A 45 6.767 8.743 2.070 1.00 0.00 C ATOM 577 C LEU A 45 6.879 8.425 0.577 1.00 0.00 C ATOM 578 O LEU A 45 6.347 9.153 -0.258 1.00 0.00 O ATOM 579 CB LEU A 45 5.390 9.268 2.485 1.00 0.00 C ATOM 580 CG LEU A 45 5.025 9.099 3.960 1.00 0.00 C ATOM 581 CD1 LEU A 45 4.193 10.283 4.459 1.00 0.00 C ATOM 582 CD2 LEU A 45 4.321 7.762 4.202 1.00 0.00 C ATOM 0 H LEU A 45 7.462 10.559 2.855 1.00 0.00 H new ATOM 0 HA LEU A 45 6.901 7.804 2.607 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.338 10.328 2.237 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.634 8.763 1.884 1.00 0.00 H new ATOM 0 HG LEU A 45 5.948 9.087 4.540 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.947 10.137 5.511 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.765 11.204 4.344 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.274 10.352 3.878 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.073 7.668 5.259 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.407 7.719 3.609 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.981 6.945 3.910 1.00 0.00 H new ATOM 594 N ALA A 46 7.577 7.334 0.290 1.00 0.00 N ATOM 595 CA ALA A 46 7.764 6.910 -1.087 1.00 0.00 C ATOM 596 C ALA A 46 6.820 5.746 -1.392 1.00 0.00 C ATOM 597 O ALA A 46 6.735 4.793 -0.618 1.00 0.00 O ATOM 598 CB ALA A 46 9.233 6.543 -1.311 1.00 0.00 C ATOM 0 H ALA A 46 8.018 6.733 0.986 1.00 0.00 H new ATOM 0 HA ALA A 46 7.520 7.720 -1.775 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.375 6.225 -2.344 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.860 7.412 -1.110 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.512 5.731 -0.639 1.00 0.00 H new ATOM 604 N CYS A 47 6.135 5.862 -2.520 1.00 0.00 N ATOM 605 CA CYS A 47 5.200 4.831 -2.935 1.00 0.00 C ATOM 606 C CYS A 47 5.912 3.906 -3.925 1.00 0.00 C ATOM 607 O CYS A 47 6.871 4.312 -4.579 1.00 0.00 O ATOM 608 CB CYS A 47 3.925 5.431 -3.533 1.00 0.00 C ATOM 609 SG CYS A 47 3.129 6.720 -2.506 1.00 0.00 S ATOM 0 H CYS A 47 6.209 6.654 -3.159 1.00 0.00 H new ATOM 0 HA CYS A 47 4.881 4.256 -2.066 1.00 0.00 H new ATOM 0 HB2 CYS A 47 4.163 5.858 -4.507 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.208 4.628 -3.704 1.00 0.00 H new ATOM 614 N ASN A 48 5.415 2.681 -4.003 1.00 0.00 N ATOM 615 CA ASN A 48 5.993 1.696 -4.901 1.00 0.00 C ATOM 616 C ASN A 48 5.317 1.803 -6.271 1.00 0.00 C ATOM 617 O ASN A 48 4.297 2.476 -6.413 1.00 0.00 O ATOM 618 CB ASN A 48 5.774 0.275 -4.375 1.00 0.00 C ATOM 619 CG ASN A 48 5.813 0.245 -2.847 1.00 0.00 C ATOM 620 OD1 ASN A 48 5.146 -0.546 -2.199 1.00 0.00 O ATOM 621 ND2 ASN A 48 6.629 1.147 -2.308 1.00 0.00 N ATOM 0 H ASN A 48 4.619 2.348 -3.459 1.00 0.00 H new ATOM 0 HA ASN A 48 7.063 1.892 -4.974 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.813 -0.102 -4.725 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.542 -0.387 -4.775 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.725 1.206 -1.294 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.158 1.779 -2.908 1.00 0.00 H new ATOM 628 N PRO A 49 5.930 1.111 -7.268 1.00 0.00 N ATOM 629 CA PRO A 49 5.397 1.120 -8.621 1.00 0.00 C ATOM 630 C PRO A 49 4.151 0.238 -8.726 1.00 0.00 C ATOM 631 O PRO A 49 3.467 0.245 -9.751 1.00 0.00 O ATOM 632 CB PRO A 49 6.542 0.638 -9.497 1.00 0.00 C ATOM 633 CG PRO A 49 7.515 -0.063 -8.563 1.00 0.00 C ATOM 634 CD PRO A 49 7.139 0.302 -7.136 1.00 0.00 C ATOM 0 HA PRO A 49 5.061 2.108 -8.935 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.183 -0.042 -10.269 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.023 1.473 -10.006 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.469 -1.143 -8.705 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.539 0.244 -8.778 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.956 -0.588 -6.534 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.937 0.859 -6.646 1.00 0.00 H new ATOM 642 N ALA A 50 3.893 -0.497 -7.656 1.00 0.00 N ATOM 643 CA ALA A 50 2.740 -1.380 -7.616 1.00 0.00 C ATOM 644 C ALA A 50 1.662 -0.766 -6.722 1.00 0.00 C ATOM 645 O ALA A 50 0.681 -1.426 -6.384 1.00 0.00 O ATOM 646 CB ALA A 50 3.176 -2.766 -7.136 1.00 0.00 C ATOM 0 H ALA A 50 4.462 -0.500 -6.810 1.00 0.00 H new ATOM 0 HA ALA A 50 2.313 -1.498 -8.612 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.311 -3.429 -7.106 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.920 -3.171 -7.822 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.607 -2.686 -6.138 1.00 0.00 H new ATOM 652 N ASP A 51 1.881 0.490 -6.363 1.00 0.00 N ATOM 653 CA ASP A 51 0.939 1.202 -5.514 1.00 0.00 C ATOM 654 C ASP A 51 -0.100 1.902 -6.391 1.00 0.00 C ATOM 655 O ASP A 51 -0.943 2.643 -5.887 1.00 0.00 O ATOM 656 CB ASP A 51 1.650 2.268 -4.678 1.00 0.00 C ATOM 657 CG ASP A 51 0.752 3.401 -4.180 1.00 0.00 C ATOM 658 OD1 ASP A 51 0.572 4.365 -4.955 1.00 0.00 O ATOM 659 OD2 ASP A 51 0.267 3.279 -3.034 1.00 0.00 O ATOM 0 H ASP A 51 2.697 1.034 -6.644 1.00 0.00 H new ATOM 0 HA ASP A 51 0.468 0.478 -4.849 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.112 1.785 -3.817 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.456 2.698 -5.273 1.00 0.00 H new ATOM 665 N PHE A 52 -0.007 1.646 -7.687 1.00 0.00 N ATOM 666 CA PHE A 52 -0.929 2.241 -8.637 1.00 0.00 C ATOM 667 C PHE A 52 -1.925 1.203 -9.160 1.00 0.00 C ATOM 668 O PHE A 52 -1.676 0.557 -10.178 1.00 0.00 O ATOM 669 CB PHE A 52 -0.093 2.763 -9.805 1.00 0.00 C ATOM 670 CG PHE A 52 1.211 3.442 -9.383 1.00 0.00 C ATOM 671 CD1 PHE A 52 1.205 4.358 -8.378 1.00 0.00 C ATOM 672 CD2 PHE A 52 2.376 3.128 -10.011 1.00 0.00 C ATOM 673 CE1 PHE A 52 2.417 4.990 -7.986 1.00 0.00 C ATOM 674 CE2 PHE A 52 3.586 3.758 -9.618 1.00 0.00 C ATOM 675 CZ PHE A 52 3.582 4.675 -8.613 1.00 0.00 C ATOM 0 H PHE A 52 0.695 1.033 -8.102 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.496 3.038 -8.155 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.141 1.932 -10.471 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.691 3.472 -10.378 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.280 4.605 -7.878 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.380 2.400 -10.808 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.412 5.720 -7.190 1.00 0.00 H new ATOM 0 HE2 PHE A 52 4.511 3.509 -10.117 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.503 5.152 -8.313 1.00 0.00 H new ATOM 685 N SER A 53 -3.031 1.076 -8.443 1.00 0.00 N ATOM 686 CA SER A 53 -4.065 0.126 -8.823 1.00 0.00 C ATOM 687 C SER A 53 -5.434 0.633 -8.362 1.00 0.00 C ATOM 688 O SER A 53 -5.903 0.272 -7.284 1.00 0.00 O ATOM 689 CB SER A 53 -3.784 -1.258 -8.234 1.00 0.00 C ATOM 690 OG SER A 53 -3.577 -2.236 -9.248 1.00 0.00 O ATOM 0 H SER A 53 -3.235 1.614 -7.601 1.00 0.00 H new ATOM 0 HA SER A 53 -4.065 0.035 -9.909 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.904 -1.208 -7.593 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.620 -1.561 -7.603 1.00 0.00 H new ATOM 0 HG SER A 53 -3.097 -3.003 -8.870 1.00 0.00 H new ATOM 696 N SER A 54 -6.036 1.461 -9.202 1.00 0.00 N ATOM 697 CA SER A 54 -7.341 2.020 -8.896 1.00 0.00 C ATOM 698 C SER A 54 -8.193 0.986 -8.158 1.00 0.00 C ATOM 699 O SER A 54 -8.042 -0.216 -8.374 1.00 0.00 O ATOM 700 CB SER A 54 -8.054 2.484 -10.167 1.00 0.00 C ATOM 701 OG SER A 54 -9.370 2.965 -9.896 1.00 0.00 O ATOM 0 H SER A 54 -5.644 1.759 -10.095 1.00 0.00 H new ATOM 0 HA SER A 54 -7.198 2.889 -8.254 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.471 3.272 -10.643 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.109 1.657 -10.875 1.00 0.00 H new ATOM 0 HG SER A 54 -9.792 3.253 -10.732 1.00 0.00 H new ATOM 707 N VAL A 55 -9.072 1.489 -7.303 1.00 0.00 N ATOM 708 CA VAL A 55 -9.946 0.622 -6.532 1.00 0.00 C ATOM 709 C VAL A 55 -11.172 1.418 -6.077 1.00 0.00 C ATOM 710 O VAL A 55 -11.116 2.643 -5.967 1.00 0.00 O ATOM 711 CB VAL A 55 -9.174 -0.003 -5.369 1.00 0.00 C ATOM 712 CG1 VAL A 55 -8.778 1.058 -4.341 1.00 0.00 C ATOM 713 CG2 VAL A 55 -9.980 -1.127 -4.717 1.00 0.00 C ATOM 0 H VAL A 55 -9.197 2.486 -7.128 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.303 -0.204 -7.147 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.258 -0.438 -5.770 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.230 0.587 -3.525 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.146 1.808 -4.817 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.675 1.536 -3.948 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -9.408 -1.554 -3.893 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -10.920 -0.727 -4.337 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -10.187 -1.902 -5.455 1.00 0.00 H new ATOM 723 N THR A 56 -12.250 0.692 -5.824 1.00 0.00 N ATOM 724 CA THR A 56 -13.486 1.315 -5.383 1.00 0.00 C ATOM 725 C THR A 56 -14.141 0.479 -4.281 1.00 0.00 C ATOM 726 O THR A 56 -14.115 -0.749 -4.331 1.00 0.00 O ATOM 727 CB THR A 56 -14.380 1.511 -6.609 1.00 0.00 C ATOM 728 OG1 THR A 56 -14.527 2.925 -6.709 1.00 0.00 O ATOM 729 CG2 THR A 56 -15.806 1.004 -6.381 1.00 0.00 C ATOM 0 H THR A 56 -12.293 -0.323 -5.916 1.00 0.00 H new ATOM 0 HA THR A 56 -13.300 2.293 -4.939 1.00 0.00 H new ATOM 0 HB THR A 56 -13.943 0.994 -7.463 1.00 0.00 H new ATOM 0 HG1 THR A 56 -14.962 3.267 -5.900 1.00 0.00 H new ATOM 0 HG21 THR A 56 -16.398 1.167 -7.281 1.00 0.00 H new ATOM 0 HG22 THR A 56 -15.781 -0.061 -6.151 1.00 0.00 H new ATOM 0 HG23 THR A 56 -16.256 1.545 -5.548 1.00 0.00 H new ATOM 737 N ALA A 57 -14.713 1.180 -3.313 1.00 0.00 N ATOM 738 CA ALA A 57 -15.372 0.518 -2.201 1.00 0.00 C ATOM 739 C ALA A 57 -16.887 0.673 -2.346 1.00 0.00 C ATOM 740 O ALA A 57 -17.368 1.709 -2.806 1.00 0.00 O ATOM 741 CB ALA A 57 -14.851 1.092 -0.881 1.00 0.00 C ATOM 0 H ALA A 57 -14.734 2.199 -3.276 1.00 0.00 H new ATOM 0 HA ALA A 57 -15.147 -0.549 -2.203 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.346 0.594 -0.047 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.775 0.930 -0.813 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.060 2.161 -0.841 1.00 0.00 H new ATOM 747 N ASP A 58 -17.599 -0.371 -1.945 1.00 0.00 N ATOM 748 CA ASP A 58 -19.049 -0.363 -2.027 1.00 0.00 C ATOM 749 C ASP A 58 -19.597 0.794 -1.187 1.00 0.00 C ATOM 750 O ASP A 58 -18.908 1.306 -0.305 1.00 0.00 O ATOM 751 CB ASP A 58 -19.639 -1.663 -1.480 1.00 0.00 C ATOM 752 CG ASP A 58 -18.787 -2.912 -1.722 1.00 0.00 C ATOM 753 OD1 ASP A 58 -17.816 -2.794 -2.500 1.00 0.00 O ATOM 754 OD2 ASP A 58 -19.125 -3.955 -1.123 1.00 0.00 O ATOM 0 H ASP A 58 -17.198 -1.227 -1.563 1.00 0.00 H new ATOM 0 HA ASP A 58 -19.326 -0.254 -3.075 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.795 -1.550 -0.407 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -20.619 -1.817 -1.931 1.00 0.00 H new ATOM 760 N ALA A 59 -20.829 1.172 -1.489 1.00 0.00 N ATOM 761 CA ALA A 59 -21.476 2.258 -0.772 1.00 0.00 C ATOM 762 C ALA A 59 -21.149 2.146 0.717 1.00 0.00 C ATOM 763 O ALA A 59 -21.050 3.157 1.412 1.00 0.00 O ATOM 764 CB ALA A 59 -22.982 2.222 -1.044 1.00 0.00 C ATOM 0 H ALA A 59 -21.397 0.746 -2.221 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.105 3.223 -1.118 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.468 3.036 -0.507 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -23.161 2.335 -2.113 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.390 1.269 -0.706 1.00 0.00 H new ATOM 770 N ASN A 60 -20.992 0.910 1.166 1.00 0.00 N ATOM 771 CA ASN A 60 -20.676 0.653 2.561 1.00 0.00 C ATOM 772 C ASN A 60 -19.159 0.672 2.749 1.00 0.00 C ATOM 773 O ASN A 60 -18.618 -0.094 3.545 1.00 0.00 O ATOM 774 CB ASN A 60 -21.190 -0.721 2.998 1.00 0.00 C ATOM 775 CG ASN A 60 -21.819 -0.654 4.391 1.00 0.00 C ATOM 776 OD1 ASN A 60 -21.341 0.027 5.284 1.00 0.00 O ATOM 777 ND2 ASN A 60 -22.913 -1.396 4.525 1.00 0.00 N ATOM 0 H ASN A 60 -21.078 0.074 0.588 1.00 0.00 H new ATOM 0 HA ASN A 60 -21.155 1.426 3.162 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -21.926 -1.083 2.280 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -20.368 -1.437 3.000 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -23.407 -1.419 5.417 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -23.259 -1.942 3.736 1.00 0.00 H new ATOM 784 N GLY A 61 -18.512 1.557 2.002 1.00 0.00 N ATOM 785 CA GLY A 61 -17.067 1.687 2.077 1.00 0.00 C ATOM 786 C GLY A 61 -16.396 0.312 2.125 1.00 0.00 C ATOM 787 O GLY A 61 -15.460 0.101 2.895 1.00 0.00 O ATOM 0 H GLY A 61 -18.963 2.191 1.342 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -16.703 2.244 1.214 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -16.795 2.260 2.964 1.00 0.00 H new ATOM 791 N SER A 62 -16.900 -0.587 1.293 1.00 0.00 N ATOM 792 CA SER A 62 -16.360 -1.934 1.230 1.00 0.00 C ATOM 793 C SER A 62 -15.464 -2.083 -0.001 1.00 0.00 C ATOM 794 O SER A 62 -15.952 -2.350 -1.098 1.00 0.00 O ATOM 795 CB SER A 62 -17.481 -2.975 1.201 1.00 0.00 C ATOM 796 OG SER A 62 -18.754 -2.398 1.480 1.00 0.00 O ATOM 0 H SER A 62 -17.677 -0.409 0.657 1.00 0.00 H new ATOM 0 HA SER A 62 -15.764 -2.106 2.126 1.00 0.00 H new ATOM 0 HB2 SER A 62 -17.507 -3.453 0.222 1.00 0.00 H new ATOM 0 HB3 SER A 62 -17.269 -3.756 1.931 1.00 0.00 H new ATOM 0 HG SER A 62 -19.443 -3.095 1.450 1.00 0.00 H new ATOM 802 N ALA A 63 -14.170 -1.905 0.222 1.00 0.00 N ATOM 803 CA ALA A 63 -13.203 -2.017 -0.857 1.00 0.00 C ATOM 804 C ALA A 63 -12.425 -3.325 -0.705 1.00 0.00 C ATOM 805 O ALA A 63 -11.302 -3.330 -0.206 1.00 0.00 O ATOM 806 CB ALA A 63 -12.288 -0.792 -0.850 1.00 0.00 C ATOM 0 H ALA A 63 -13.769 -1.684 1.133 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.707 -2.043 -1.823 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.562 -0.875 -1.659 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.885 0.109 -0.990 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.763 -0.735 0.104 1.00 0.00 H new ATOM 812 N SER A 64 -13.055 -4.405 -1.146 1.00 0.00 N ATOM 813 CA SER A 64 -12.437 -5.718 -1.064 1.00 0.00 C ATOM 814 C SER A 64 -11.716 -6.037 -2.376 1.00 0.00 C ATOM 815 O SER A 64 -12.223 -6.797 -3.200 1.00 0.00 O ATOM 816 CB SER A 64 -13.475 -6.798 -0.754 1.00 0.00 C ATOM 817 OG SER A 64 -14.631 -6.680 -1.578 1.00 0.00 O ATOM 0 H SER A 64 -13.987 -4.397 -1.561 1.00 0.00 H new ATOM 0 HA SER A 64 -11.712 -5.705 -0.250 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.028 -7.782 -0.896 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.768 -6.729 0.294 1.00 0.00 H new ATOM 0 HG SER A 64 -14.362 -6.678 -2.520 1.00 0.00 H new ATOM 823 N THR A 65 -10.543 -5.441 -2.528 1.00 0.00 N ATOM 824 CA THR A 65 -9.745 -5.652 -3.724 1.00 0.00 C ATOM 825 C THR A 65 -8.503 -6.486 -3.398 1.00 0.00 C ATOM 826 O THR A 65 -7.872 -6.286 -2.364 1.00 0.00 O ATOM 827 CB THR A 65 -9.419 -4.283 -4.324 1.00 0.00 C ATOM 828 OG1 THR A 65 -10.609 -3.911 -5.009 1.00 0.00 O ATOM 829 CG2 THR A 65 -8.361 -4.363 -5.426 1.00 0.00 C ATOM 0 H THR A 65 -10.125 -4.812 -1.843 1.00 0.00 H new ATOM 0 HA THR A 65 -10.295 -6.226 -4.470 1.00 0.00 H new ATOM 0 HB THR A 65 -9.071 -3.616 -3.536 1.00 0.00 H new ATOM 0 HG1 THR A 65 -10.452 -3.939 -5.976 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.167 -3.364 -5.817 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.440 -4.777 -5.017 1.00 0.00 H new ATOM 0 HG23 THR A 65 -8.721 -5.004 -6.230 1.00 0.00 H new ATOM 837 N SER A 66 -8.194 -7.404 -4.302 1.00 0.00 N ATOM 838 CA SER A 66 -7.040 -8.267 -4.123 1.00 0.00 C ATOM 839 C SER A 66 -5.847 -7.719 -4.910 1.00 0.00 C ATOM 840 O SER A 66 -5.989 -7.325 -6.067 1.00 0.00 O ATOM 841 CB SER A 66 -7.351 -9.700 -4.563 1.00 0.00 C ATOM 842 OG SER A 66 -7.388 -9.827 -5.982 1.00 0.00 O ATOM 0 H SER A 66 -8.722 -7.568 -5.159 1.00 0.00 H new ATOM 0 HA SER A 66 -6.789 -8.286 -3.062 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.597 -10.375 -4.158 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.310 -10.007 -4.146 1.00 0.00 H new ATOM 0 HG SER A 66 -7.588 -10.756 -6.222 1.00 0.00 H new ATOM 848 N LEU A 67 -4.697 -7.710 -4.253 1.00 0.00 N ATOM 849 CA LEU A 67 -3.481 -7.216 -4.875 1.00 0.00 C ATOM 850 C LEU A 67 -2.287 -8.028 -4.369 1.00 0.00 C ATOM 851 O LEU A 67 -2.423 -8.826 -3.443 1.00 0.00 O ATOM 852 CB LEU A 67 -3.339 -5.709 -4.652 1.00 0.00 C ATOM 853 CG LEU A 67 -3.245 -4.850 -5.914 1.00 0.00 C ATOM 854 CD1 LEU A 67 -4.633 -4.575 -6.496 1.00 0.00 C ATOM 855 CD2 LEU A 67 -2.471 -3.558 -5.642 1.00 0.00 C ATOM 0 H LEU A 67 -4.582 -8.038 -3.294 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.524 -7.352 -5.956 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.192 -5.367 -4.066 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.448 -5.533 -4.050 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.686 -5.408 -6.665 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.537 -3.962 -7.392 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.114 -5.519 -6.752 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.238 -4.047 -5.759 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.419 -2.966 -6.556 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.980 -2.985 -4.867 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.462 -3.802 -5.309 1.00 0.00 H new ATOM 867 N THR A 68 -1.146 -7.795 -4.998 1.00 0.00 N ATOM 868 CA THR A 68 0.073 -8.495 -4.623 1.00 0.00 C ATOM 869 C THR A 68 1.012 -7.559 -3.860 1.00 0.00 C ATOM 870 O THR A 68 1.279 -6.444 -4.305 1.00 0.00 O ATOM 871 CB THR A 68 0.694 -9.075 -5.895 1.00 0.00 C ATOM 872 OG1 THR A 68 -0.052 -10.266 -6.135 1.00 0.00 O ATOM 873 CG2 THR A 68 2.125 -9.573 -5.672 1.00 0.00 C ATOM 0 H THR A 68 -1.038 -7.132 -5.765 1.00 0.00 H new ATOM 0 HA THR A 68 -0.137 -9.319 -3.941 1.00 0.00 H new ATOM 0 HB THR A 68 0.689 -8.318 -6.679 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.172 -10.619 -7.021 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.520 -9.975 -6.605 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.751 -8.745 -5.340 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.124 -10.354 -4.912 1.00 0.00 H new ATOM 881 N VAL A 69 1.486 -8.048 -2.724 1.00 0.00 N ATOM 882 CA VAL A 69 2.391 -7.270 -1.894 1.00 0.00 C ATOM 883 C VAL A 69 3.826 -7.477 -2.379 1.00 0.00 C ATOM 884 O VAL A 69 4.504 -8.409 -1.946 1.00 0.00 O ATOM 885 CB VAL A 69 2.198 -7.638 -0.422 1.00 0.00 C ATOM 886 CG1 VAL A 69 2.452 -9.129 -0.191 1.00 0.00 C ATOM 887 CG2 VAL A 69 3.091 -6.783 0.479 1.00 0.00 C ATOM 0 H VAL A 69 1.261 -8.973 -2.358 1.00 0.00 H new ATOM 0 HA VAL A 69 2.169 -6.206 -1.981 1.00 0.00 H new ATOM 0 HB VAL A 69 1.161 -7.431 -0.159 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.308 -9.364 0.864 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.755 -9.714 -0.791 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.474 -9.373 -0.481 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.934 -7.065 1.520 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.136 -6.943 0.213 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.840 -5.731 0.347 1.00 0.00 H new ATOM 897 N ARG A 70 4.250 -6.594 -3.272 1.00 0.00 N ATOM 898 CA ARG A 70 5.594 -6.670 -3.820 1.00 0.00 C ATOM 899 C ARG A 70 6.574 -5.904 -2.929 1.00 0.00 C ATOM 900 O ARG A 70 7.046 -4.831 -3.296 1.00 0.00 O ATOM 901 CB ARG A 70 5.644 -6.090 -5.235 1.00 0.00 C ATOM 902 CG ARG A 70 4.919 -7.003 -6.226 1.00 0.00 C ATOM 903 CD ARG A 70 5.818 -7.341 -7.419 1.00 0.00 C ATOM 904 NE ARG A 70 5.358 -8.593 -8.060 1.00 0.00 N ATOM 905 CZ ARG A 70 5.829 -9.055 -9.226 1.00 0.00 C ATOM 906 NH1 ARG A 70 6.775 -8.372 -9.886 1.00 0.00 N ATOM 907 NH2 ARG A 70 5.353 -10.201 -9.733 1.00 0.00 N ATOM 0 H ARG A 70 3.687 -5.823 -3.630 1.00 0.00 H new ATOM 0 HA ARG A 70 5.878 -7.722 -3.859 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.186 -5.101 -5.243 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.682 -5.963 -5.544 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.614 -7.921 -5.724 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.010 -6.515 -6.578 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.800 -6.525 -8.141 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.851 -7.450 -7.087 1.00 0.00 H new ATOM 0 HE ARG A 70 4.638 -9.138 -7.585 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.137 -7.500 -9.501 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.133 -8.725 -10.774 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.633 -10.720 -9.231 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.711 -10.554 -10.621 1.00 0.00 H new ATOM 921 N ARG A 71 6.850 -6.488 -1.772 1.00 0.00 N ATOM 922 CA ARG A 71 7.766 -5.874 -0.823 1.00 0.00 C ATOM 923 C ARG A 71 8.935 -5.221 -1.564 1.00 0.00 C ATOM 924 O ARG A 71 9.428 -4.172 -1.152 1.00 0.00 O ATOM 925 CB ARG A 71 8.310 -6.907 0.164 1.00 0.00 C ATOM 926 CG ARG A 71 8.854 -6.229 1.424 1.00 0.00 C ATOM 927 CD ARG A 71 9.058 -7.244 2.549 1.00 0.00 C ATOM 928 NE ARG A 71 9.863 -8.385 2.062 1.00 0.00 N ATOM 929 CZ ARG A 71 10.551 -9.216 2.860 1.00 0.00 C ATOM 930 NH1 ARG A 71 10.536 -9.032 4.188 1.00 0.00 N ATOM 931 NH2 ARG A 71 11.253 -10.224 2.328 1.00 0.00 N ATOM 0 H ARG A 71 6.456 -7.379 -1.470 1.00 0.00 H new ATOM 0 HA ARG A 71 7.212 -5.116 -0.269 1.00 0.00 H new ATOM 0 HB2 ARG A 71 7.520 -7.607 0.436 1.00 0.00 H new ATOM 0 HB3 ARG A 71 9.101 -7.488 -0.311 1.00 0.00 H new ATOM 0 HG2 ARG A 71 9.800 -5.738 1.197 1.00 0.00 H new ATOM 0 HG3 ARG A 71 8.162 -5.453 1.751 1.00 0.00 H new ATOM 0 HD2 ARG A 71 9.559 -6.769 3.392 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.092 -7.598 2.910 1.00 0.00 H new ATOM 0 HE ARG A 71 9.897 -8.551 1.056 1.00 0.00 H new ATOM 0 HH11 ARG A 71 10.002 -8.261 4.590 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.058 -9.663 4.796 1.00 0.00 H new ATOM 0 HH21 ARG A 71 11.265 -10.360 1.317 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.776 -10.856 2.933 1.00 0.00 H new ATOM 945 N SER A 72 9.349 -5.872 -2.642 1.00 0.00 N ATOM 946 CA SER A 72 10.452 -5.367 -3.442 1.00 0.00 C ATOM 947 C SER A 72 9.914 -4.618 -4.663 1.00 0.00 C ATOM 948 O SER A 72 8.849 -4.951 -5.180 1.00 0.00 O ATOM 949 CB SER A 72 11.377 -6.502 -3.882 1.00 0.00 C ATOM 950 OG SER A 72 12.317 -6.849 -2.869 1.00 0.00 O ATOM 0 H SER A 72 8.941 -6.744 -2.979 1.00 0.00 H new ATOM 0 HA SER A 72 11.032 -4.678 -2.828 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.780 -7.377 -4.138 1.00 0.00 H new ATOM 0 HB3 SER A 72 11.910 -6.205 -4.785 1.00 0.00 H new ATOM 0 HG SER A 72 11.839 -7.159 -2.072 1.00 0.00 H new ATOM 956 N PHE A 73 10.674 -3.620 -5.088 1.00 0.00 N ATOM 957 CA PHE A 73 10.286 -2.822 -6.239 1.00 0.00 C ATOM 958 C PHE A 73 11.036 -1.488 -6.258 1.00 0.00 C ATOM 959 O PHE A 73 11.937 -1.266 -5.449 1.00 0.00 O ATOM 960 CB PHE A 73 8.787 -2.548 -6.107 1.00 0.00 C ATOM 961 CG PHE A 73 8.319 -2.323 -4.668 1.00 0.00 C ATOM 962 CD1 PHE A 73 9.187 -1.848 -3.736 1.00 0.00 C ATOM 963 CD2 PHE A 73 7.033 -2.602 -4.321 1.00 0.00 C ATOM 964 CE1 PHE A 73 8.752 -1.640 -2.401 1.00 0.00 C ATOM 965 CE2 PHE A 73 6.598 -2.393 -2.986 1.00 0.00 C ATOM 966 CZ PHE A 73 7.466 -1.918 -2.053 1.00 0.00 C ATOM 0 H PHE A 73 11.556 -3.345 -4.656 1.00 0.00 H new ATOM 0 HA PHE A 73 10.523 -3.355 -7.160 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.535 -1.670 -6.701 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.236 -3.388 -6.530 1.00 0.00 H new ATOM 0 HD1 PHE A 73 10.208 -1.629 -4.011 1.00 0.00 H new ATOM 0 HD2 PHE A 73 6.344 -2.982 -5.061 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.442 -1.261 -1.661 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.577 -2.611 -2.711 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.135 -1.762 -1.037 1.00 0.00 H new ATOM 976 N GLU A 74 10.639 -0.635 -7.190 1.00 0.00 N ATOM 977 CA GLU A 74 11.264 0.670 -7.326 1.00 0.00 C ATOM 978 C GLU A 74 10.387 1.747 -6.682 1.00 0.00 C ATOM 979 O GLU A 74 9.440 2.234 -7.300 1.00 0.00 O ATOM 980 CB GLU A 74 11.541 0.995 -8.796 1.00 0.00 C ATOM 981 CG GLU A 74 12.567 2.122 -8.923 1.00 0.00 C ATOM 982 CD GLU A 74 13.801 1.657 -9.698 1.00 0.00 C ATOM 983 OE1 GLU A 74 14.897 1.711 -9.103 1.00 0.00 O ATOM 984 OE2 GLU A 74 13.618 1.254 -10.867 1.00 0.00 O ATOM 0 H GLU A 74 9.892 -0.822 -7.859 1.00 0.00 H new ATOM 0 HA GLU A 74 12.222 0.649 -6.806 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.908 0.105 -9.306 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.613 1.285 -9.289 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.115 2.974 -9.430 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.863 2.462 -7.931 1.00 0.00 H new ATOM 992 N GLY A 75 10.732 2.086 -5.449 1.00 0.00 N ATOM 993 CA GLY A 75 9.991 3.096 -4.714 1.00 0.00 C ATOM 994 C GLY A 75 10.147 4.473 -5.363 1.00 0.00 C ATOM 995 O GLY A 75 11.067 4.689 -6.152 1.00 0.00 O ATOM 0 H GLY A 75 11.516 1.678 -4.940 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.936 2.824 -4.679 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.345 3.134 -3.684 1.00 0.00 H new ATOM 999 N PHE A 76 9.240 5.368 -5.004 1.00 0.00 N ATOM 1000 CA PHE A 76 9.267 6.718 -5.541 1.00 0.00 C ATOM 1001 C PHE A 76 8.866 7.740 -4.475 1.00 0.00 C ATOM 1002 O PHE A 76 7.791 7.641 -3.889 1.00 0.00 O ATOM 1003 CB PHE A 76 8.251 6.765 -6.683 1.00 0.00 C ATOM 1004 CG PHE A 76 8.740 6.114 -7.978 1.00 0.00 C ATOM 1005 CD1 PHE A 76 8.715 4.761 -8.109 1.00 0.00 C ATOM 1006 CD2 PHE A 76 9.199 6.887 -8.998 1.00 0.00 C ATOM 1007 CE1 PHE A 76 9.168 4.156 -9.312 1.00 0.00 C ATOM 1008 CE2 PHE A 76 9.652 6.282 -10.200 1.00 0.00 C ATOM 1009 CZ PHE A 76 9.628 4.929 -10.331 1.00 0.00 C ATOM 0 H PHE A 76 8.481 5.185 -4.347 1.00 0.00 H new ATOM 0 HA PHE A 76 10.273 6.963 -5.881 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.336 6.268 -6.362 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.995 7.805 -6.885 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.351 4.146 -7.299 1.00 0.00 H new ATOM 0 HD2 PHE A 76 9.219 7.962 -8.894 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.147 3.081 -9.417 1.00 0.00 H new ATOM 0 HE2 PHE A 76 10.016 6.897 -11.010 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.974 4.469 -11.244 1.00 0.00 H new ATOM 1019 N LEU A 77 9.754 8.700 -4.258 1.00 0.00 N ATOM 1020 CA LEU A 77 9.507 9.738 -3.271 1.00 0.00 C ATOM 1021 C LEU A 77 8.160 10.402 -3.564 1.00 0.00 C ATOM 1022 O LEU A 77 7.651 10.317 -4.680 1.00 0.00 O ATOM 1023 CB LEU A 77 10.680 10.720 -3.224 1.00 0.00 C ATOM 1024 CG LEU A 77 12.066 10.103 -3.039 1.00 0.00 C ATOM 1025 CD1 LEU A 77 13.107 11.176 -2.714 1.00 0.00 C ATOM 1026 CD2 LEU A 77 12.035 8.997 -1.983 1.00 0.00 C ATOM 0 H LEU A 77 10.645 8.781 -4.748 1.00 0.00 H new ATOM 0 HA LEU A 77 9.440 9.308 -2.272 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.682 11.297 -4.149 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.506 11.424 -2.410 1.00 0.00 H new ATOM 0 HG LEU A 77 12.363 9.643 -3.981 1.00 0.00 H new ATOM 0 HD11 LEU A 77 14.084 10.709 -2.588 1.00 0.00 H new ATOM 0 HD12 LEU A 77 13.153 11.898 -3.530 1.00 0.00 H new ATOM 0 HD13 LEU A 77 12.827 11.687 -1.793 1.00 0.00 H new ATOM 0 HD21 LEU A 77 13.033 8.574 -1.870 1.00 0.00 H new ATOM 0 HD22 LEU A 77 11.707 9.413 -1.030 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.343 8.215 -2.295 1.00 0.00 H new ATOM 1038 N PHE A 78 7.620 11.048 -2.541 1.00 0.00 N ATOM 1039 CA PHE A 78 6.343 11.727 -2.675 1.00 0.00 C ATOM 1040 C PHE A 78 6.485 13.008 -3.499 1.00 0.00 C ATOM 1041 O PHE A 78 5.559 13.401 -4.207 1.00 0.00 O ATOM 1042 CB PHE A 78 5.879 12.091 -1.262 1.00 0.00 C ATOM 1043 CG PHE A 78 6.480 13.393 -0.727 1.00 0.00 C ATOM 1044 CD1 PHE A 78 6.014 14.589 -1.173 1.00 0.00 C ATOM 1045 CD2 PHE A 78 7.478 13.352 0.194 1.00 0.00 C ATOM 1046 CE1 PHE A 78 6.572 15.798 -0.677 1.00 0.00 C ATOM 1047 CE2 PHE A 78 8.036 14.560 0.691 1.00 0.00 C ATOM 1048 CZ PHE A 78 7.571 15.757 0.245 1.00 0.00 C ATOM 0 H PHE A 78 8.044 11.115 -1.616 1.00 0.00 H new ATOM 0 HA PHE A 78 5.629 11.079 -3.183 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.792 12.175 -1.258 1.00 0.00 H new ATOM 0 HB3 PHE A 78 6.138 11.278 -0.584 1.00 0.00 H new ATOM 0 HD1 PHE A 78 5.220 14.621 -1.904 1.00 0.00 H new ATOM 0 HD2 PHE A 78 7.847 12.401 0.548 1.00 0.00 H new ATOM 0 HE1 PHE A 78 6.203 16.749 -1.032 1.00 0.00 H new ATOM 0 HE2 PHE A 78 8.829 14.528 1.423 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.995 16.676 0.623 1.00 0.00 H new ATOM 1058 N ASP A 79 7.651 13.626 -3.376 1.00 0.00 N ATOM 1059 CA ASP A 79 7.926 14.855 -4.101 1.00 0.00 C ATOM 1060 C ASP A 79 7.697 14.624 -5.596 1.00 0.00 C ATOM 1061 O ASP A 79 6.976 15.382 -6.242 1.00 0.00 O ATOM 1062 CB ASP A 79 9.380 15.294 -3.910 1.00 0.00 C ATOM 1063 CG ASP A 79 9.968 14.996 -2.528 1.00 0.00 C ATOM 1064 OD1 ASP A 79 10.173 15.973 -1.776 1.00 0.00 O ATOM 1065 OD2 ASP A 79 10.199 13.798 -2.257 1.00 0.00 O ATOM 0 H ASP A 79 8.416 13.299 -2.785 1.00 0.00 H new ATOM 0 HA ASP A 79 7.261 15.628 -3.716 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.995 14.802 -4.664 1.00 0.00 H new ATOM 0 HB3 ASP A 79 9.447 16.366 -4.094 1.00 0.00 H new ATOM 1071 N GLY A 80 8.323 13.571 -6.104 1.00 0.00 N ATOM 1072 CA GLY A 80 8.194 13.229 -7.510 1.00 0.00 C ATOM 1073 C GLY A 80 9.396 12.411 -7.987 1.00 0.00 C ATOM 1074 O GLY A 80 9.297 11.667 -8.961 1.00 0.00 O ATOM 0 H GLY A 80 8.921 12.944 -5.566 1.00 0.00 H new ATOM 0 HA2 GLY A 80 7.277 12.661 -7.667 1.00 0.00 H new ATOM 0 HA3 GLY A 80 8.110 14.139 -8.103 1.00 0.00 H new ATOM 1078 N THR A 81 10.503 12.579 -7.280 1.00 0.00 N ATOM 1079 CA THR A 81 11.722 11.866 -7.619 1.00 0.00 C ATOM 1080 C THR A 81 11.615 10.396 -7.201 1.00 0.00 C ATOM 1081 O THR A 81 10.940 10.073 -6.224 1.00 0.00 O ATOM 1082 CB THR A 81 12.897 12.598 -6.964 1.00 0.00 C ATOM 1083 OG1 THR A 81 12.870 13.892 -7.558 1.00 0.00 O ATOM 1084 CG2 THR A 81 14.251 12.023 -7.383 1.00 0.00 C ATOM 0 H THR A 81 10.581 13.199 -6.474 1.00 0.00 H new ATOM 0 HA THR A 81 11.886 11.855 -8.697 1.00 0.00 H new ATOM 0 HB THR A 81 12.801 12.545 -5.880 1.00 0.00 H new ATOM 0 HG1 THR A 81 13.597 14.436 -7.190 1.00 0.00 H new ATOM 0 HG21 THR A 81 15.050 12.578 -6.891 1.00 0.00 H new ATOM 0 HG22 THR A 81 14.306 10.974 -7.094 1.00 0.00 H new ATOM 0 HG23 THR A 81 14.363 12.108 -8.464 1.00 0.00 H new ATOM 1092 N ARG A 82 12.290 9.548 -7.962 1.00 0.00 N ATOM 1093 CA ARG A 82 12.280 8.123 -7.684 1.00 0.00 C ATOM 1094 C ARG A 82 13.433 7.755 -6.748 1.00 0.00 C ATOM 1095 O ARG A 82 14.524 8.308 -6.857 1.00 0.00 O ATOM 1096 CB ARG A 82 12.399 7.308 -8.974 1.00 0.00 C ATOM 1097 CG ARG A 82 12.444 5.809 -8.674 1.00 0.00 C ATOM 1098 CD ARG A 82 13.737 5.182 -9.196 1.00 0.00 C ATOM 1099 NE ARG A 82 13.513 4.598 -10.535 1.00 0.00 N ATOM 1100 CZ ARG A 82 14.489 4.118 -11.319 1.00 0.00 C ATOM 1101 NH1 ARG A 82 15.761 4.151 -10.900 1.00 0.00 N ATOM 1102 NH2 ARG A 82 14.191 3.606 -12.521 1.00 0.00 N ATOM 0 H ARG A 82 12.848 9.821 -8.771 1.00 0.00 H new ATOM 0 HA ARG A 82 11.330 7.887 -7.205 1.00 0.00 H new ATOM 0 HB2 ARG A 82 11.553 7.527 -9.626 1.00 0.00 H new ATOM 0 HB3 ARG A 82 13.300 7.602 -9.512 1.00 0.00 H new ATOM 0 HG2 ARG A 82 12.366 5.648 -7.599 1.00 0.00 H new ATOM 0 HG3 ARG A 82 11.586 5.317 -9.133 1.00 0.00 H new ATOM 0 HD2 ARG A 82 14.522 5.937 -9.246 1.00 0.00 H new ATOM 0 HD3 ARG A 82 14.080 4.410 -8.507 1.00 0.00 H new ATOM 0 HE ARG A 82 12.556 4.558 -10.885 1.00 0.00 H new ATOM 0 HH11 ARG A 82 15.987 4.541 -9.985 1.00 0.00 H new ATOM 0 HH12 ARG A 82 16.504 3.786 -11.496 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.222 3.582 -12.839 1.00 0.00 H new ATOM 0 HH22 ARG A 82 14.933 3.241 -13.118 1.00 0.00 H new ATOM 1116 N TRP A 83 13.151 6.822 -5.850 1.00 0.00 N ATOM 1117 CA TRP A 83 14.150 6.374 -4.897 1.00 0.00 C ATOM 1118 C TRP A 83 14.690 5.024 -5.373 1.00 0.00 C ATOM 1119 O TRP A 83 15.669 4.971 -6.116 1.00 0.00 O ATOM 1120 CB TRP A 83 13.573 6.320 -3.479 1.00 0.00 C ATOM 1121 CG TRP A 83 14.572 5.858 -2.418 1.00 0.00 C ATOM 1122 CD1 TRP A 83 14.642 4.663 -1.816 1.00 0.00 C ATOM 1123 CD2 TRP A 83 15.648 6.637 -1.852 1.00 0.00 C ATOM 1124 NE1 TRP A 83 15.680 4.615 -0.906 1.00 0.00 N ATOM 1125 CE2 TRP A 83 16.310 5.853 -0.930 1.00 0.00 C ATOM 1126 CE3 TRP A 83 16.045 7.959 -2.110 1.00 0.00 C ATOM 1127 CZ2 TRP A 83 17.411 6.302 -0.193 1.00 0.00 C ATOM 1128 CZ3 TRP A 83 17.149 8.395 -1.366 1.00 0.00 C ATOM 1129 CH2 TRP A 83 17.827 7.618 -0.435 1.00 0.00 C ATOM 0 H TRP A 83 12.244 6.364 -5.763 1.00 0.00 H new ATOM 0 HA TRP A 83 14.977 7.082 -4.848 1.00 0.00 H new ATOM 0 HB2 TRP A 83 13.205 7.310 -3.210 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.715 5.648 -3.472 1.00 0.00 H new ATOM 0 HD1 TRP A 83 13.971 3.841 -2.017 1.00 0.00 H new ATOM 0 HE1 TRP A 83 15.937 3.818 -0.324 1.00 0.00 H new ATOM 0 HE3 TRP A 83 15.539 8.590 -2.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 17.913 5.669 0.524 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 17.497 9.405 -1.527 1.00 0.00 H new ATOM 0 HH2 TRP A 83 18.671 8.027 0.100 1.00 0.00 H new ATOM 1140 N GLY A 84 14.025 3.967 -4.931 1.00 0.00 N ATOM 1141 CA GLY A 84 14.425 2.621 -5.304 1.00 0.00 C ATOM 1142 C GLY A 84 13.778 1.583 -4.384 1.00 0.00 C ATOM 1143 O GLY A 84 12.934 0.803 -4.821 1.00 0.00 O ATOM 0 H GLY A 84 13.211 4.015 -4.318 1.00 0.00 H new ATOM 0 HA2 GLY A 84 14.138 2.426 -6.337 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.510 2.532 -5.252 1.00 0.00 H new ATOM 1147 N THR A 85 14.201 1.606 -3.129 1.00 0.00 N ATOM 1148 CA THR A 85 13.673 0.677 -2.146 1.00 0.00 C ATOM 1149 C THR A 85 14.327 -0.699 -2.306 1.00 0.00 C ATOM 1150 O THR A 85 14.996 -1.182 -1.396 1.00 0.00 O ATOM 1151 CB THR A 85 12.150 0.646 -2.292 1.00 0.00 C ATOM 1152 OG1 THR A 85 11.803 1.997 -2.584 1.00 0.00 O ATOM 1153 CG2 THR A 85 11.441 0.357 -0.968 1.00 0.00 C ATOM 0 H THR A 85 14.903 2.253 -2.771 1.00 0.00 H new ATOM 0 HA THR A 85 13.910 0.999 -1.132 1.00 0.00 H new ATOM 0 HB THR A 85 11.870 -0.110 -3.026 1.00 0.00 H new ATOM 0 HG1 THR A 85 10.851 2.137 -2.400 1.00 0.00 H new ATOM 0 HG21 THR A 85 10.363 0.346 -1.127 1.00 0.00 H new ATOM 0 HG22 THR A 85 11.761 -0.613 -0.588 1.00 0.00 H new ATOM 0 HG23 THR A 85 11.693 1.132 -0.244 1.00 0.00 H new ATOM 1161 N VAL A 86 14.108 -1.289 -3.472 1.00 0.00 N ATOM 1162 CA VAL A 86 14.669 -2.597 -3.764 1.00 0.00 C ATOM 1163 C VAL A 86 13.872 -3.667 -3.013 1.00 0.00 C ATOM 1164 O VAL A 86 13.054 -4.366 -3.604 1.00 0.00 O ATOM 1165 CB VAL A 86 16.160 -2.614 -3.429 1.00 0.00 C ATOM 1166 CG1 VAL A 86 16.881 -3.732 -4.188 1.00 0.00 C ATOM 1167 CG2 VAL A 86 16.803 -1.257 -3.714 1.00 0.00 C ATOM 0 H VAL A 86 13.550 -0.886 -4.225 1.00 0.00 H new ATOM 0 HA VAL A 86 14.588 -2.819 -4.828 1.00 0.00 H new ATOM 0 HB VAL A 86 16.260 -2.814 -2.362 1.00 0.00 H new ATOM 0 HG11 VAL A 86 17.940 -3.722 -3.931 1.00 0.00 H new ATOM 0 HG12 VAL A 86 16.450 -4.695 -3.913 1.00 0.00 H new ATOM 0 HG13 VAL A 86 16.766 -3.576 -5.261 1.00 0.00 H new ATOM 0 HG21 VAL A 86 17.864 -1.298 -3.467 1.00 0.00 H new ATOM 0 HG22 VAL A 86 16.686 -1.013 -4.770 1.00 0.00 H new ATOM 0 HG23 VAL A 86 16.319 -0.491 -3.109 1.00 0.00 H new ATOM 1177 N ASP A 87 14.145 -3.759 -1.720 1.00 0.00 N ATOM 1178 CA ASP A 87 13.465 -4.730 -0.880 1.00 0.00 C ATOM 1179 C ASP A 87 12.897 -4.025 0.354 1.00 0.00 C ATOM 1180 O ASP A 87 13.648 -3.589 1.225 1.00 0.00 O ATOM 1181 CB ASP A 87 14.430 -5.816 -0.401 1.00 0.00 C ATOM 1182 CG ASP A 87 13.781 -7.158 -0.064 1.00 0.00 C ATOM 1183 OD1 ASP A 87 12.611 -7.340 -0.469 1.00 0.00 O ATOM 1184 OD2 ASP A 87 14.466 -7.974 0.590 1.00 0.00 O ATOM 0 H ASP A 87 14.827 -3.177 -1.234 1.00 0.00 H new ATOM 0 HA ASP A 87 12.671 -5.187 -1.470 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.182 -5.978 -1.173 1.00 0.00 H new ATOM 0 HB3 ASP A 87 14.953 -5.451 0.483 1.00 0.00 H new ATOM 1190 N CYS A 88 11.577 -3.933 0.388 1.00 0.00 N ATOM 1191 CA CYS A 88 10.899 -3.287 1.498 1.00 0.00 C ATOM 1192 C CYS A 88 10.939 -4.234 2.701 1.00 0.00 C ATOM 1193 O CYS A 88 9.896 -4.609 3.235 1.00 0.00 O ATOM 1194 CB CYS A 88 9.467 -2.888 1.135 1.00 0.00 C ATOM 1195 SG CYS A 88 8.598 -1.905 2.410 1.00 0.00 S ATOM 0 H CYS A 88 10.957 -4.296 -0.337 1.00 0.00 H new ATOM 0 HA CYS A 88 11.412 -2.358 1.748 1.00 0.00 H new ATOM 0 HB2 CYS A 88 9.488 -2.316 0.207 1.00 0.00 H new ATOM 0 HB3 CYS A 88 8.891 -3.793 0.939 1.00 0.00 H new ATOM 1200 N THR A 89 12.153 -4.594 3.091 1.00 0.00 N ATOM 1201 CA THR A 89 12.342 -5.490 4.219 1.00 0.00 C ATOM 1202 C THR A 89 12.707 -4.696 5.475 1.00 0.00 C ATOM 1203 O THR A 89 12.466 -5.149 6.592 1.00 0.00 O ATOM 1204 CB THR A 89 13.396 -6.528 3.827 1.00 0.00 C ATOM 1205 OG1 THR A 89 13.365 -7.475 4.891 1.00 0.00 O ATOM 1206 CG2 THR A 89 14.817 -5.965 3.872 1.00 0.00 C ATOM 0 H THR A 89 13.016 -4.281 2.646 1.00 0.00 H new ATOM 0 HA THR A 89 11.421 -6.019 4.464 1.00 0.00 H new ATOM 0 HB THR A 89 13.183 -6.899 2.824 1.00 0.00 H new ATOM 0 HG1 THR A 89 14.018 -8.185 4.717 1.00 0.00 H new ATOM 0 HG21 THR A 89 15.526 -6.742 3.585 1.00 0.00 H new ATOM 0 HG22 THR A 89 14.898 -5.127 3.180 1.00 0.00 H new ATOM 0 HG23 THR A 89 15.042 -5.624 4.883 1.00 0.00 H new ATOM 1214 N THR A 90 13.286 -3.525 5.249 1.00 0.00 N ATOM 1215 CA THR A 90 13.686 -2.665 6.347 1.00 0.00 C ATOM 1216 C THR A 90 12.538 -1.737 6.746 1.00 0.00 C ATOM 1217 O THR A 90 12.173 -1.660 7.917 1.00 0.00 O ATOM 1218 CB THR A 90 14.952 -1.915 5.922 1.00 0.00 C ATOM 1219 OG1 THR A 90 15.992 -2.880 6.070 1.00 0.00 O ATOM 1220 CG2 THR A 90 15.333 -0.806 6.904 1.00 0.00 C ATOM 0 H THR A 90 13.487 -3.153 4.321 1.00 0.00 H new ATOM 0 HA THR A 90 13.917 -3.247 7.240 1.00 0.00 H new ATOM 0 HB THR A 90 14.805 -1.487 4.930 1.00 0.00 H new ATOM 0 HG1 THR A 90 16.849 -2.479 5.814 1.00 0.00 H new ATOM 0 HG21 THR A 90 16.237 -0.306 6.556 1.00 0.00 H new ATOM 0 HG22 THR A 90 14.520 -0.082 6.969 1.00 0.00 H new ATOM 0 HG23 THR A 90 15.514 -1.238 7.888 1.00 0.00 H new ATOM 1228 N ALA A 91 11.996 -1.054 5.745 1.00 0.00 N ATOM 1229 CA ALA A 91 10.895 -0.133 5.978 1.00 0.00 C ATOM 1230 C ALA A 91 9.571 -0.889 5.854 1.00 0.00 C ATOM 1231 O ALA A 91 9.458 -1.826 5.066 1.00 0.00 O ATOM 1232 CB ALA A 91 10.993 1.036 4.997 1.00 0.00 C ATOM 0 H ALA A 91 12.299 -1.120 4.773 1.00 0.00 H new ATOM 0 HA ALA A 91 10.946 0.281 6.985 1.00 0.00 H new ATOM 0 HB1 ALA A 91 10.168 1.727 5.171 1.00 0.00 H new ATOM 0 HB2 ALA A 91 11.939 1.556 5.144 1.00 0.00 H new ATOM 0 HB3 ALA A 91 10.941 0.659 3.976 1.00 0.00 H new ATOM 1238 N ALA A 92 8.603 -0.454 6.647 1.00 0.00 N ATOM 1239 CA ALA A 92 7.292 -1.079 6.636 1.00 0.00 C ATOM 1240 C ALA A 92 6.437 -0.445 5.536 1.00 0.00 C ATOM 1241 O ALA A 92 6.233 0.768 5.526 1.00 0.00 O ATOM 1242 CB ALA A 92 6.650 -0.945 8.020 1.00 0.00 C ATOM 0 H ALA A 92 8.700 0.323 7.301 1.00 0.00 H new ATOM 0 HA ALA A 92 7.378 -2.143 6.416 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.666 -1.414 8.012 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.280 -1.436 8.762 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.547 0.110 8.273 1.00 0.00 H new ATOM 1248 N CYS A 93 5.964 -1.292 4.636 1.00 0.00 N ATOM 1249 CA CYS A 93 5.137 -0.830 3.533 1.00 0.00 C ATOM 1250 C CYS A 93 3.673 -0.899 3.968 1.00 0.00 C ATOM 1251 O CYS A 93 3.167 -1.974 4.288 1.00 0.00 O ATOM 1252 CB CYS A 93 5.393 -1.635 2.256 1.00 0.00 C ATOM 1253 SG CYS A 93 6.801 -2.801 2.355 1.00 0.00 S ATOM 0 H CYS A 93 6.137 -2.297 4.647 1.00 0.00 H new ATOM 0 HA CYS A 93 5.394 0.201 3.290 1.00 0.00 H new ATOM 0 HB2 CYS A 93 4.491 -2.196 2.010 1.00 0.00 H new ATOM 0 HB3 CYS A 93 5.571 -0.941 1.435 1.00 0.00 H new ATOM 1258 N GLN A 94 3.032 0.260 3.966 1.00 0.00 N ATOM 1259 CA GLN A 94 1.635 0.343 4.356 1.00 0.00 C ATOM 1260 C GLN A 94 0.731 0.199 3.130 1.00 0.00 C ATOM 1261 O GLN A 94 0.750 1.047 2.239 1.00 0.00 O ATOM 1262 CB GLN A 94 1.350 1.652 5.097 1.00 0.00 C ATOM 1263 CG GLN A 94 2.007 1.654 6.479 1.00 0.00 C ATOM 1264 CD GLN A 94 2.434 3.068 6.881 1.00 0.00 C ATOM 1265 OE1 GLN A 94 3.117 3.768 6.152 1.00 0.00 O ATOM 1266 NE2 GLN A 94 1.991 3.446 8.075 1.00 0.00 N ATOM 0 H GLN A 94 3.454 1.150 3.700 1.00 0.00 H new ATOM 0 HA GLN A 94 1.420 -0.478 5.040 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.722 2.493 4.512 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.274 1.788 5.202 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.310 1.257 7.217 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.876 0.996 6.474 1.00 0.00 H new ATOM 0 HE21 GLN A 94 1.423 2.809 8.633 1.00 0.00 H new ATOM 0 HE22 GLN A 94 2.219 4.373 8.433 1.00 0.00 H new ATOM 1275 N VAL A 95 -0.036 -0.880 3.123 1.00 0.00 N ATOM 1276 CA VAL A 95 -0.946 -1.147 2.022 1.00 0.00 C ATOM 1277 C VAL A 95 -2.290 -0.469 2.300 1.00 0.00 C ATOM 1278 O VAL A 95 -2.916 -0.724 3.326 1.00 0.00 O ATOM 1279 CB VAL A 95 -1.071 -2.656 1.799 1.00 0.00 C ATOM 1280 CG1 VAL A 95 -1.546 -2.963 0.379 1.00 0.00 C ATOM 1281 CG2 VAL A 95 0.250 -3.365 2.100 1.00 0.00 C ATOM 0 H VAL A 95 -0.046 -1.581 3.864 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.556 -0.727 1.095 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.821 -3.036 2.492 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.626 -4.042 0.247 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.521 -2.504 0.214 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.830 -2.562 -0.339 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.134 -4.436 1.934 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.029 -2.978 1.443 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.530 -3.187 3.138 1.00 0.00 H new ATOM 1291 N GLY A 96 -2.690 0.381 1.365 1.00 0.00 N ATOM 1292 CA GLY A 96 -3.948 1.097 1.495 1.00 0.00 C ATOM 1293 C GLY A 96 -4.300 1.827 0.198 1.00 0.00 C ATOM 1294 O GLY A 96 -3.480 1.912 -0.713 1.00 0.00 O ATOM 0 H GLY A 96 -2.166 0.590 0.515 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.744 0.397 1.750 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.880 1.814 2.313 1.00 0.00 H new ATOM 1298 N LEU A 97 -5.523 2.335 0.157 1.00 0.00 N ATOM 1299 CA LEU A 97 -5.995 3.056 -1.014 1.00 0.00 C ATOM 1300 C LEU A 97 -6.043 4.553 -0.701 1.00 0.00 C ATOM 1301 O LEU A 97 -6.776 4.982 0.189 1.00 0.00 O ATOM 1302 CB LEU A 97 -7.333 2.485 -1.493 1.00 0.00 C ATOM 1303 CG LEU A 97 -8.413 2.325 -0.423 1.00 0.00 C ATOM 1304 CD1 LEU A 97 -9.808 2.316 -1.051 1.00 0.00 C ATOM 1305 CD2 LEU A 97 -8.160 1.082 0.432 1.00 0.00 C ATOM 0 H LEU A 97 -6.201 2.262 0.915 1.00 0.00 H new ATOM 0 HA LEU A 97 -5.303 2.925 -1.846 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -7.721 3.132 -2.279 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -7.149 1.510 -1.944 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.365 3.187 0.243 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -10.558 2.201 -0.269 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -9.975 3.255 -1.579 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.886 1.486 -1.753 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -8.943 0.993 1.185 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -8.165 0.196 -0.203 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -7.192 1.170 0.925 1.00 0.00 H new ATOM 1317 N SER A 98 -5.252 5.307 -1.451 1.00 0.00 N ATOM 1318 CA SER A 98 -5.194 6.748 -1.264 1.00 0.00 C ATOM 1319 C SER A 98 -6.230 7.432 -2.160 1.00 0.00 C ATOM 1320 O SER A 98 -6.692 6.848 -3.138 1.00 0.00 O ATOM 1321 CB SER A 98 -3.794 7.286 -1.565 1.00 0.00 C ATOM 1322 OG SER A 98 -3.536 7.347 -2.965 1.00 0.00 O ATOM 0 H SER A 98 -4.646 4.948 -2.189 1.00 0.00 H new ATOM 0 HA SER A 98 -5.422 6.968 -0.221 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.687 8.281 -1.133 1.00 0.00 H new ATOM 0 HB3 SER A 98 -3.050 6.649 -1.087 1.00 0.00 H new ATOM 0 HG SER A 98 -2.633 7.697 -3.116 1.00 0.00 H new ATOM 1328 N ASP A 99 -6.564 8.660 -1.791 1.00 0.00 N ATOM 1329 CA ASP A 99 -7.535 9.430 -2.547 1.00 0.00 C ATOM 1330 C ASP A 99 -7.063 9.554 -3.998 1.00 0.00 C ATOM 1331 O ASP A 99 -5.896 9.314 -4.297 1.00 0.00 O ATOM 1332 CB ASP A 99 -7.685 10.842 -1.976 1.00 0.00 C ATOM 1333 CG ASP A 99 -7.493 10.949 -0.462 1.00 0.00 C ATOM 1334 OD1 ASP A 99 -7.360 12.098 0.012 1.00 0.00 O ATOM 1335 OD2 ASP A 99 -7.486 9.882 0.186 1.00 0.00 O ATOM 0 H ASP A 99 -6.179 9.140 -0.978 1.00 0.00 H new ATOM 0 HA ASP A 99 -8.493 8.914 -2.488 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -6.963 11.495 -2.466 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -8.677 11.217 -2.229 1.00 0.00 H new ATOM 1341 N ALA A 100 -7.997 9.931 -4.859 1.00 0.00 N ATOM 1342 CA ALA A 100 -7.691 10.091 -6.271 1.00 0.00 C ATOM 1343 C ALA A 100 -6.678 11.223 -6.445 1.00 0.00 C ATOM 1344 O ALA A 100 -6.043 11.339 -7.491 1.00 0.00 O ATOM 1345 CB ALA A 100 -8.986 10.341 -7.049 1.00 0.00 C ATOM 0 H ALA A 100 -8.965 10.130 -4.607 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.240 9.183 -6.671 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -8.757 10.461 -8.108 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.659 9.494 -6.917 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -9.465 11.246 -6.677 1.00 0.00 H new ATOM 1351 N ALA A 101 -6.557 12.030 -5.401 1.00 0.00 N ATOM 1352 CA ALA A 101 -5.632 13.150 -5.424 1.00 0.00 C ATOM 1353 C ALA A 101 -4.204 12.632 -5.231 1.00 0.00 C ATOM 1354 O ALA A 101 -3.243 13.291 -5.624 1.00 0.00 O ATOM 1355 CB ALA A 101 -6.033 14.167 -4.353 1.00 0.00 C ATOM 0 H ALA A 101 -7.084 11.930 -4.534 1.00 0.00 H new ATOM 0 HA ALA A 101 -5.671 13.659 -6.387 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -5.339 15.007 -4.371 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -7.043 14.526 -4.552 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.004 13.693 -3.372 1.00 0.00 H new ATOM 1361 N GLY A 102 -4.114 11.455 -4.627 1.00 0.00 N ATOM 1362 CA GLY A 102 -2.821 10.841 -4.376 1.00 0.00 C ATOM 1363 C GLY A 102 -2.372 11.080 -2.934 1.00 0.00 C ATOM 1364 O GLY A 102 -1.191 11.317 -2.678 1.00 0.00 O ATOM 0 H GLY A 102 -4.915 10.911 -4.305 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -2.879 9.770 -4.570 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -2.081 11.250 -5.064 1.00 0.00 H new ATOM 1368 N ASN A 103 -3.334 11.006 -2.027 1.00 0.00 N ATOM 1369 CA ASN A 103 -3.053 11.210 -0.617 1.00 0.00 C ATOM 1370 C ASN A 103 -3.971 10.317 0.218 1.00 0.00 C ATOM 1371 O ASN A 103 -5.026 9.891 -0.253 1.00 0.00 O ATOM 1372 CB ASN A 103 -3.307 12.664 -0.208 1.00 0.00 C ATOM 1373 CG ASN A 103 -4.805 12.979 -0.215 1.00 0.00 C ATOM 1374 OD1 ASN A 103 -5.366 12.910 -1.419 1.00 0.00 O flip ATOM 1375 ND2 ASN A 103 -5.409 13.268 0.804 1.00 0.00 N flip ATOM 0 H ASN A 103 -4.311 10.807 -2.242 1.00 0.00 H new ATOM 0 HA ASN A 103 -2.005 10.965 -0.445 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -2.898 12.843 0.786 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -2.787 13.335 -0.892 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -4.916 13.303 1.696 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -6.407 13.475 0.764 1.00 0.00 H new ATOM 1382 N GLY A 104 -3.536 10.056 1.442 1.00 0.00 N ATOM 1383 CA GLY A 104 -4.309 9.219 2.348 1.00 0.00 C ATOM 1384 C GLY A 104 -3.396 8.516 3.355 1.00 0.00 C ATOM 1385 O GLY A 104 -2.484 7.787 2.969 1.00 0.00 O ATOM 0 H GLY A 104 -2.660 10.408 1.828 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -5.040 9.829 2.878 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -4.867 8.477 1.777 1.00 0.00 H new ATOM 1389 N PRO A 105 -3.683 8.769 4.660 1.00 0.00 N ATOM 1390 CA PRO A 105 -2.899 8.168 5.727 1.00 0.00 C ATOM 1391 C PRO A 105 -3.249 6.688 5.900 1.00 0.00 C ATOM 1392 O PRO A 105 -2.617 5.985 6.686 1.00 0.00 O ATOM 1393 CB PRO A 105 -3.212 9.000 6.961 1.00 0.00 C ATOM 1394 CG PRO A 105 -4.503 9.737 6.650 1.00 0.00 C ATOM 1395 CD PRO A 105 -4.755 9.626 5.155 1.00 0.00 C ATOM 0 HA PRO A 105 -1.829 8.175 5.518 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -3.326 8.366 7.841 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -2.404 9.700 7.175 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -5.333 9.306 7.210 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -4.427 10.783 6.948 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -5.734 9.193 4.950 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -4.732 10.605 4.676 1.00 0.00 H new ATOM 1403 N GLU A 106 -4.256 6.260 5.151 1.00 0.00 N ATOM 1404 CA GLU A 106 -4.696 4.876 5.210 1.00 0.00 C ATOM 1405 C GLU A 106 -3.622 3.953 4.635 1.00 0.00 C ATOM 1406 O GLU A 106 -3.110 4.192 3.543 1.00 0.00 O ATOM 1407 CB GLU A 106 -6.028 4.695 4.479 1.00 0.00 C ATOM 1408 CG GLU A 106 -7.153 4.364 5.459 1.00 0.00 C ATOM 1409 CD GLU A 106 -8.314 5.349 5.313 1.00 0.00 C ATOM 1410 OE1 GLU A 106 -8.624 6.019 6.324 1.00 0.00 O ATOM 1411 OE2 GLU A 106 -8.868 5.411 4.193 1.00 0.00 O ATOM 0 H GLU A 106 -4.779 6.847 4.501 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.854 4.607 6.255 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.273 5.606 3.933 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.937 3.897 3.742 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -7.508 3.349 5.281 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.772 4.394 6.480 1.00 0.00 H new ATOM 1419 N GLY A 107 -3.314 2.913 5.395 1.00 0.00 N ATOM 1420 CA GLY A 107 -2.310 1.951 4.975 1.00 0.00 C ATOM 1421 C GLY A 107 -1.814 1.122 6.162 1.00 0.00 C ATOM 1422 O GLY A 107 -1.455 1.672 7.201 1.00 0.00 O ATOM 0 H GLY A 107 -3.742 2.715 6.299 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -2.729 1.291 4.216 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -1.471 2.473 4.516 1.00 0.00 H new ATOM 1426 N VAL A 108 -1.805 -0.190 5.965 1.00 0.00 N ATOM 1427 CA VAL A 108 -1.358 -1.098 7.004 1.00 0.00 C ATOM 1428 C VAL A 108 0.018 -1.655 6.634 1.00 0.00 C ATOM 1429 O VAL A 108 0.196 -2.206 5.548 1.00 0.00 O ATOM 1430 CB VAL A 108 -2.406 -2.192 7.231 1.00 0.00 C ATOM 1431 CG1 VAL A 108 -2.203 -3.353 6.254 1.00 0.00 C ATOM 1432 CG2 VAL A 108 -2.383 -2.684 8.678 1.00 0.00 C ATOM 0 H VAL A 108 -2.101 -0.643 5.100 1.00 0.00 H new ATOM 0 HA VAL A 108 -1.249 -0.569 7.951 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.388 -1.760 7.042 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.959 -4.117 6.435 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.294 -2.988 5.231 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.212 -3.782 6.400 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.137 -3.460 8.810 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.399 -3.091 8.908 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.597 -1.852 9.349 1.00 0.00 H new ATOM 1442 N ALA A 109 0.955 -1.495 7.556 1.00 0.00 N ATOM 1443 CA ALA A 109 2.309 -1.976 7.340 1.00 0.00 C ATOM 1444 C ALA A 109 2.297 -3.503 7.267 1.00 0.00 C ATOM 1445 O ALA A 109 2.420 -4.179 8.287 1.00 0.00 O ATOM 1446 CB ALA A 109 3.220 -1.452 8.452 1.00 0.00 C ATOM 0 H ALA A 109 0.803 -1.039 8.455 1.00 0.00 H new ATOM 0 HA ALA A 109 2.703 -1.604 6.394 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.236 -1.813 8.290 1.00 0.00 H new ATOM 0 HB2 ALA A 109 3.216 -0.362 8.442 1.00 0.00 H new ATOM 0 HB3 ALA A 109 2.858 -1.808 9.417 1.00 0.00 H new ATOM 1452 N ILE A 110 2.148 -4.005 6.050 1.00 0.00 N ATOM 1453 CA ILE A 110 2.120 -5.441 5.830 1.00 0.00 C ATOM 1454 C ILE A 110 3.400 -5.868 5.109 1.00 0.00 C ATOM 1455 O ILE A 110 3.892 -5.154 4.236 1.00 0.00 O ATOM 1456 CB ILE A 110 0.839 -5.845 5.099 1.00 0.00 C ATOM 1457 CG1 ILE A 110 0.255 -7.133 5.685 1.00 0.00 C ATOM 1458 CG2 ILE A 110 1.079 -5.960 3.591 1.00 0.00 C ATOM 1459 CD1 ILE A 110 -0.841 -6.825 6.708 1.00 0.00 C ATOM 0 H ILE A 110 2.045 -3.442 5.205 1.00 0.00 H new ATOM 0 HA ILE A 110 2.098 -5.972 6.782 1.00 0.00 H new ATOM 0 HB ILE A 110 0.100 -5.058 5.249 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -0.154 -7.748 4.883 1.00 0.00 H new ATOM 0 HG13 ILE A 110 1.047 -7.712 6.159 1.00 0.00 H new ATOM 0 HG21 ILE A 110 0.152 -6.249 3.096 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.414 -4.999 3.202 1.00 0.00 H new ATOM 0 HG23 ILE A 110 1.842 -6.715 3.401 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.238 -7.758 7.108 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -0.424 -6.230 7.521 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -1.643 -6.267 6.225 1.00 0.00 H new ATOM 1471 N SER A 111 3.905 -7.029 5.501 1.00 0.00 N ATOM 1472 CA SER A 111 5.117 -7.558 4.903 1.00 0.00 C ATOM 1473 C SER A 111 5.844 -8.460 5.906 1.00 0.00 C ATOM 1474 O SER A 111 6.320 -9.536 5.545 1.00 0.00 O ATOM 1475 CB SER A 111 6.040 -6.432 4.438 1.00 0.00 C ATOM 1476 OG SER A 111 5.815 -6.087 3.075 1.00 0.00 O ATOM 0 H SER A 111 3.495 -7.618 6.226 1.00 0.00 H new ATOM 0 HA SER A 111 4.838 -8.146 4.029 1.00 0.00 H new ATOM 0 HB2 SER A 111 5.885 -5.554 5.065 1.00 0.00 H new ATOM 0 HB3 SER A 111 7.078 -6.737 4.568 1.00 0.00 H new ATOM 0 HG SER A 111 5.056 -5.470 3.015 1.00 0.00 H new