USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 855 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 59 TYR OH : rot 90:sc= 0.185 USER MOD Set 1.2: A 63 LYS NZ :NH3+ 175:sc= 0.222 (180deg=0) USER MOD Set 2.1: A 3 SER OG : rot -113:sc= 0.0018 USER MOD Set 2.2: A 5 SER OG : rot 35:sc= 0.67 USER MOD Single : A 1 GLY N :NH3+ -125:sc= 0.058 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 37:sc= 0.515 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl -164:sc= -0.0285 (180deg=-0.371) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -2.12 X(o=-2.1,f=-1.8) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 120:sc= 0.409 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc=-0.00962 K(o=-0.0096,f=-0.86) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot -79:sc= -0.88 USER MOD Single : A 50 GLN : amide:sc=-0.00672 K(o=-0.0067,f=-3!) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.669 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 70 CYS SG : rot -17:sc= -0.176 USER MOD Single : A 71 HIS : no HD1:sc= -2.4 K(o=-2.4,f=-1.7) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -4.38! C(o=-4.4!,f=-7.4!) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 128:sc= 0.994 (180deg=-0.214!) USER MOD Single : A 90 ASN : amide:sc= -0.0939 K(o=-0.094,f=-4.5!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -122:sc= 0.0288 (180deg=0) USER MOD Single : A 96 TYR OH : rot 10:sc= -0.895 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 157:sc= -0.564 (180deg=-1.34) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.013 -0.445 9.308 1.00 0.00 N ATOM 2 CA GLY A 1 2.068 -1.141 8.454 1.00 0.00 C ATOM 3 C GLY A 1 0.900 -0.264 8.047 1.00 0.00 C ATOM 4 O GLY A 1 0.960 0.959 8.174 1.00 0.00 O ATOM 0 H1 GLY A 1 3.964 -0.500 8.891 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.731 0.552 9.397 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.022 -0.888 10.249 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.582 -1.494 7.560 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.693 -2.022 8.975 1.00 0.00 H new ATOM 8 N SER A 2 -0.164 -0.890 7.554 1.00 0.00 N ATOM 9 CA SER A 2 -1.349 -0.158 7.122 1.00 0.00 C ATOM 10 C SER A 2 -2.289 0.095 8.296 1.00 0.00 C ATOM 11 O SER A 2 -2.360 -0.701 9.232 1.00 0.00 O ATOM 12 CB SER A 2 -2.081 -0.933 6.025 1.00 0.00 C ATOM 13 OG SER A 2 -1.380 -0.861 4.795 1.00 0.00 O ATOM 0 H SER A 2 -0.230 -1.902 7.444 1.00 0.00 H new ATOM 0 HA SER A 2 -1.027 0.804 6.724 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.191 -1.975 6.324 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.086 -0.529 5.899 1.00 0.00 H new ATOM 0 HG SER A 2 -1.867 -1.366 4.111 1.00 0.00 H new ATOM 19 N SER A 3 -3.011 1.210 8.238 1.00 0.00 N ATOM 20 CA SER A 3 -3.945 1.572 9.298 1.00 0.00 C ATOM 21 C SER A 3 -5.387 1.410 8.829 1.00 0.00 C ATOM 22 O SER A 3 -6.224 0.852 9.538 1.00 0.00 O ATOM 23 CB SER A 3 -3.702 3.013 9.751 1.00 0.00 C ATOM 24 OG SER A 3 -4.564 3.363 10.820 1.00 0.00 O ATOM 0 H SER A 3 -2.967 1.878 7.468 1.00 0.00 H new ATOM 0 HA SER A 3 -3.778 0.901 10.141 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.664 3.129 10.063 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.861 3.693 8.914 1.00 0.00 H new ATOM 0 HG SER A 3 -5.201 4.044 10.517 1.00 0.00 H new ATOM 30 N GLY A 4 -5.671 1.903 7.627 1.00 0.00 N ATOM 31 CA GLY A 4 -7.013 1.804 7.083 1.00 0.00 C ATOM 32 C GLY A 4 -8.017 2.630 7.862 1.00 0.00 C ATOM 33 O GLY A 4 -8.993 2.098 8.390 1.00 0.00 O ATOM 0 H GLY A 4 -4.996 2.369 7.021 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.005 2.132 6.044 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.326 0.760 7.085 1.00 0.00 H new ATOM 37 N SER A 5 -7.777 3.935 7.935 1.00 0.00 N ATOM 38 CA SER A 5 -8.665 4.837 8.660 1.00 0.00 C ATOM 39 C SER A 5 -8.809 6.166 7.925 1.00 0.00 C ATOM 40 O SER A 5 -7.844 6.918 7.786 1.00 0.00 O ATOM 41 CB SER A 5 -8.137 5.078 10.075 1.00 0.00 C ATOM 42 OG SER A 5 -6.860 5.690 10.045 1.00 0.00 O ATOM 0 H SER A 5 -6.975 4.392 7.501 1.00 0.00 H new ATOM 0 HA SER A 5 -9.647 4.368 8.721 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.834 5.711 10.624 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.077 4.131 10.611 1.00 0.00 H new ATOM 0 HG SER A 5 -6.808 6.302 9.281 1.00 0.00 H new ATOM 48 N SER A 6 -10.020 6.448 7.455 1.00 0.00 N ATOM 49 CA SER A 6 -10.290 7.684 6.731 1.00 0.00 C ATOM 50 C SER A 6 -11.780 8.013 6.754 1.00 0.00 C ATOM 51 O SER A 6 -12.599 7.274 6.209 1.00 0.00 O ATOM 52 CB SER A 6 -9.805 7.569 5.285 1.00 0.00 C ATOM 53 OG SER A 6 -10.492 6.539 4.596 1.00 0.00 O ATOM 0 H SER A 6 -10.830 5.837 7.563 1.00 0.00 H new ATOM 0 HA SER A 6 -9.749 8.491 7.226 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.957 8.518 4.771 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.734 7.367 5.273 1.00 0.00 H new ATOM 0 HG SER A 6 -11.427 6.517 4.888 1.00 0.00 H new ATOM 59 N GLY A 7 -12.123 9.129 7.391 1.00 0.00 N ATOM 60 CA GLY A 7 -13.513 9.537 7.474 1.00 0.00 C ATOM 61 C GLY A 7 -14.156 9.141 8.789 1.00 0.00 C ATOM 62 O GLY A 7 -14.969 8.217 8.836 1.00 0.00 O ATOM 0 H GLY A 7 -11.463 9.757 7.850 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.579 10.618 7.352 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.070 9.089 6.651 1.00 0.00 H new ATOM 66 N ILE A 8 -13.791 9.839 9.858 1.00 0.00 N ATOM 67 CA ILE A 8 -14.337 9.554 11.179 1.00 0.00 C ATOM 68 C ILE A 8 -15.326 10.632 11.610 1.00 0.00 C ATOM 69 O ILE A 8 -16.495 10.349 11.868 1.00 0.00 O ATOM 70 CB ILE A 8 -13.223 9.443 12.237 1.00 0.00 C ATOM 71 CG1 ILE A 8 -12.246 8.327 11.865 1.00 0.00 C ATOM 72 CG2 ILE A 8 -13.822 9.193 13.613 1.00 0.00 C ATOM 73 CD1 ILE A 8 -10.876 8.490 12.487 1.00 0.00 C ATOM 0 H ILE A 8 -13.119 10.606 9.836 1.00 0.00 H new ATOM 0 HA ILE A 8 -14.855 8.598 11.106 1.00 0.00 H new ATOM 0 HB ILE A 8 -12.675 10.385 12.266 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -12.665 7.370 12.175 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -12.142 8.293 10.781 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -13.022 9.117 14.350 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -14.482 10.019 13.878 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -14.391 8.264 13.599 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -10.236 7.663 12.180 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -10.436 9.431 12.157 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -10.968 8.494 13.573 1.00 0.00 H new ATOM 85 N ASP A 9 -14.848 11.870 11.682 1.00 0.00 N ATOM 86 CA ASP A 9 -15.691 12.992 12.078 1.00 0.00 C ATOM 87 C ASP A 9 -16.379 13.610 10.864 1.00 0.00 C ATOM 88 O ASP A 9 -17.574 13.903 10.899 1.00 0.00 O ATOM 89 CB ASP A 9 -14.859 14.052 12.802 1.00 0.00 C ATOM 90 CG ASP A 9 -13.852 13.444 13.758 1.00 0.00 C ATOM 91 OD1 ASP A 9 -12.909 12.778 13.282 1.00 0.00 O ATOM 92 OD2 ASP A 9 -14.007 13.633 14.983 1.00 0.00 O ATOM 0 H ASP A 9 -13.882 12.121 11.471 1.00 0.00 H new ATOM 0 HA ASP A 9 -16.458 12.617 12.756 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -14.335 14.663 12.067 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -15.524 14.717 13.353 1.00 0.00 H new ATOM 97 N SER A 10 -15.617 13.805 9.794 1.00 0.00 N ATOM 98 CA SER A 10 -16.152 14.392 8.571 1.00 0.00 C ATOM 99 C SER A 10 -16.713 13.313 7.650 1.00 0.00 C ATOM 100 O SER A 10 -17.848 13.407 7.185 1.00 0.00 O ATOM 101 CB SER A 10 -15.065 15.185 7.842 1.00 0.00 C ATOM 102 OG SER A 10 -15.632 16.121 6.942 1.00 0.00 O ATOM 0 H SER A 10 -14.627 13.565 9.748 1.00 0.00 H new ATOM 0 HA SER A 10 -16.962 15.067 8.847 1.00 0.00 H new ATOM 0 HB2 SER A 10 -14.442 15.706 8.569 1.00 0.00 H new ATOM 0 HB3 SER A 10 -14.415 14.500 7.297 1.00 0.00 H new ATOM 0 HG SER A 10 -14.916 16.616 6.491 1.00 0.00 H new ATOM 108 N GLY A 11 -15.908 12.287 7.392 1.00 0.00 N ATOM 109 CA GLY A 11 -16.341 11.204 6.528 1.00 0.00 C ATOM 110 C GLY A 11 -16.289 11.576 5.060 1.00 0.00 C ATOM 111 O GLY A 11 -15.239 11.475 4.423 1.00 0.00 O ATOM 0 H GLY A 11 -14.964 12.186 7.766 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -15.711 10.332 6.701 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -17.360 10.919 6.791 1.00 0.00 H new ATOM 115 N LEU A 12 -17.423 12.008 4.520 1.00 0.00 N ATOM 116 CA LEU A 12 -17.504 12.396 3.116 1.00 0.00 C ATOM 117 C LEU A 12 -18.616 13.416 2.896 1.00 0.00 C ATOM 118 O LEU A 12 -19.440 13.651 3.780 1.00 0.00 O ATOM 119 CB LEU A 12 -17.743 11.165 2.239 1.00 0.00 C ATOM 120 CG LEU A 12 -19.135 10.538 2.329 1.00 0.00 C ATOM 121 CD1 LEU A 12 -19.572 10.413 3.781 1.00 0.00 C ATOM 122 CD2 LEU A 12 -20.142 11.358 1.536 1.00 0.00 C ATOM 0 H LEU A 12 -18.300 12.099 5.033 1.00 0.00 H new ATOM 0 HA LEU A 12 -16.556 12.855 2.836 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -17.557 11.441 1.201 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -17.007 10.406 2.504 1.00 0.00 H new ATOM 0 HG LEU A 12 -19.090 9.538 1.897 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -20.565 9.965 3.825 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -18.865 9.783 4.321 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -19.600 11.402 4.239 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -21.127 10.897 1.611 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -20.184 12.370 1.938 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -19.838 11.395 0.490 1.00 0.00 H new ATOM 134 N SER A 13 -18.635 14.016 1.710 1.00 0.00 N ATOM 135 CA SER A 13 -19.646 15.012 1.374 1.00 0.00 C ATOM 136 C SER A 13 -20.241 14.738 -0.004 1.00 0.00 C ATOM 137 O SER A 13 -19.564 14.269 -0.919 1.00 0.00 O ATOM 138 CB SER A 13 -19.040 16.416 1.410 1.00 0.00 C ATOM 139 OG SER A 13 -18.934 16.892 2.741 1.00 0.00 O ATOM 0 H SER A 13 -17.962 13.830 0.966 1.00 0.00 H new ATOM 0 HA SER A 13 -20.444 14.949 2.114 1.00 0.00 H new ATOM 0 HB2 SER A 13 -18.054 16.402 0.946 1.00 0.00 H new ATOM 0 HB3 SER A 13 -19.658 17.097 0.825 1.00 0.00 H new ATOM 0 HG SER A 13 -18.542 17.790 2.737 1.00 0.00 H new ATOM 145 N PRO A 14 -21.539 15.038 -0.157 1.00 0.00 N ATOM 146 CA PRO A 14 -22.256 14.833 -1.419 1.00 0.00 C ATOM 147 C PRO A 14 -21.803 15.802 -2.506 1.00 0.00 C ATOM 148 O PRO A 14 -21.647 16.998 -2.259 1.00 0.00 O ATOM 149 CB PRO A 14 -23.717 15.094 -1.045 1.00 0.00 C ATOM 150 CG PRO A 14 -23.649 15.996 0.139 1.00 0.00 C ATOM 151 CD PRO A 14 -22.408 15.600 0.891 1.00 0.00 C ATOM 0 HA PRO A 14 -22.079 13.840 -1.831 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -24.259 15.561 -1.868 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -24.237 14.166 -0.807 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -23.602 17.041 -0.169 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -24.535 15.887 0.764 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -21.945 16.456 1.381 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -22.626 14.867 1.668 1.00 0.00 H new ATOM 159 N SER A 15 -21.595 15.279 -3.710 1.00 0.00 N ATOM 160 CA SER A 15 -21.157 16.098 -4.834 1.00 0.00 C ATOM 161 C SER A 15 -21.944 15.754 -6.096 1.00 0.00 C ATOM 162 O SER A 15 -22.133 14.582 -6.423 1.00 0.00 O ATOM 163 CB SER A 15 -19.661 15.901 -5.084 1.00 0.00 C ATOM 164 OG SER A 15 -18.889 16.559 -4.094 1.00 0.00 O ATOM 0 H SER A 15 -21.723 14.292 -3.932 1.00 0.00 H new ATOM 0 HA SER A 15 -21.342 17.143 -4.584 1.00 0.00 H new ATOM 0 HB2 SER A 15 -19.426 14.837 -5.085 1.00 0.00 H new ATOM 0 HB3 SER A 15 -19.400 16.286 -6.070 1.00 0.00 H new ATOM 0 HG SER A 15 -17.936 16.417 -4.274 1.00 0.00 H new ATOM 170 N VAL A 16 -22.400 16.784 -6.801 1.00 0.00 N ATOM 171 CA VAL A 16 -23.165 16.593 -8.027 1.00 0.00 C ATOM 172 C VAL A 16 -22.247 16.526 -9.242 1.00 0.00 C ATOM 173 O VAL A 16 -22.683 16.192 -10.345 1.00 0.00 O ATOM 174 CB VAL A 16 -24.189 17.726 -8.232 1.00 0.00 C ATOM 175 CG1 VAL A 16 -25.152 17.378 -9.357 1.00 0.00 C ATOM 176 CG2 VAL A 16 -24.943 18.002 -6.940 1.00 0.00 C ATOM 0 H VAL A 16 -22.253 17.760 -6.544 1.00 0.00 H new ATOM 0 HA VAL A 16 -23.697 15.647 -7.925 1.00 0.00 H new ATOM 0 HB VAL A 16 -23.652 18.632 -8.513 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -25.868 18.190 -9.487 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -24.594 17.234 -10.282 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -25.685 16.460 -9.109 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -25.662 18.805 -7.103 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -25.470 17.101 -6.627 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -24.238 18.298 -6.163 1.00 0.00 H new ATOM 186 N LEU A 17 -20.975 16.845 -9.034 1.00 0.00 N ATOM 187 CA LEU A 17 -19.994 16.821 -10.114 1.00 0.00 C ATOM 188 C LEU A 17 -18.622 16.405 -9.593 1.00 0.00 C ATOM 189 O LEU A 17 -18.366 16.442 -8.389 1.00 0.00 O ATOM 190 CB LEU A 17 -19.904 18.195 -10.779 1.00 0.00 C ATOM 191 CG LEU A 17 -19.426 19.342 -9.889 1.00 0.00 C ATOM 192 CD1 LEU A 17 -18.931 20.505 -10.736 1.00 0.00 C ATOM 193 CD2 LEU A 17 -20.541 19.795 -8.958 1.00 0.00 C ATOM 0 H LEU A 17 -20.598 17.123 -8.128 1.00 0.00 H new ATOM 0 HA LEU A 17 -20.320 16.088 -10.852 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -19.231 18.120 -11.633 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -20.888 18.452 -11.171 1.00 0.00 H new ATOM 0 HG LEU A 17 -18.596 18.983 -9.281 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -18.595 21.312 -10.085 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -18.102 20.173 -11.361 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -19.742 20.864 -11.370 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -20.183 20.612 -8.332 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -21.392 20.136 -9.548 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -20.849 18.962 -8.326 1.00 0.00 H new ATOM 205 N MET A 18 -17.741 16.012 -10.507 1.00 0.00 N ATOM 206 CA MET A 18 -16.394 15.593 -10.140 1.00 0.00 C ATOM 207 C MET A 18 -15.362 16.174 -11.102 1.00 0.00 C ATOM 208 O MET A 18 -15.649 16.388 -12.279 1.00 0.00 O ATOM 209 CB MET A 18 -16.296 14.066 -10.131 1.00 0.00 C ATOM 210 CG MET A 18 -17.296 13.398 -9.201 1.00 0.00 C ATOM 211 SD MET A 18 -17.124 11.604 -9.168 1.00 0.00 S ATOM 212 CE MET A 18 -17.636 11.184 -10.833 1.00 0.00 C ATOM 0 H MET A 18 -17.936 15.975 -11.507 1.00 0.00 H new ATOM 0 HA MET A 18 -16.184 15.970 -9.139 1.00 0.00 H new ATOM 0 HB2 MET A 18 -16.450 13.694 -11.144 1.00 0.00 H new ATOM 0 HB3 MET A 18 -15.288 13.777 -9.835 1.00 0.00 H new ATOM 0 HG2 MET A 18 -17.166 13.790 -8.192 1.00 0.00 H new ATOM 0 HG3 MET A 18 -18.307 13.656 -9.515 1.00 0.00 H new ATOM 0 HE1 MET A 18 -17.858 10.118 -10.888 1.00 0.00 H new ATOM 0 HE2 MET A 18 -18.528 11.754 -11.094 1.00 0.00 H new ATOM 0 HE3 MET A 18 -16.834 11.424 -11.532 1.00 0.00 H new ATOM 222 N ALA A 19 -14.162 16.428 -10.592 1.00 0.00 N ATOM 223 CA ALA A 19 -13.088 16.983 -11.406 1.00 0.00 C ATOM 224 C ALA A 19 -11.876 16.057 -11.423 1.00 0.00 C ATOM 225 O ALA A 19 -11.770 15.144 -10.604 1.00 0.00 O ATOM 226 CB ALA A 19 -12.695 18.361 -10.894 1.00 0.00 C ATOM 0 H ALA A 19 -13.909 16.258 -9.619 1.00 0.00 H new ATOM 0 HA ALA A 19 -13.453 17.078 -12.428 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -11.892 18.763 -11.512 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -13.557 19.026 -10.941 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -12.354 18.282 -9.862 1.00 0.00 H new ATOM 232 N SER A 20 -10.966 16.298 -12.361 1.00 0.00 N ATOM 233 CA SER A 20 -9.764 15.482 -12.487 1.00 0.00 C ATOM 234 C SER A 20 -8.622 16.067 -11.661 1.00 0.00 C ATOM 235 O SER A 20 -7.968 17.022 -12.077 1.00 0.00 O ATOM 236 CB SER A 20 -9.345 15.376 -13.954 1.00 0.00 C ATOM 237 OG SER A 20 -8.578 14.206 -14.183 1.00 0.00 O ATOM 0 H SER A 20 -11.038 17.051 -13.045 1.00 0.00 H new ATOM 0 HA SER A 20 -9.990 14.485 -12.109 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.231 15.363 -14.588 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.765 16.255 -14.234 1.00 0.00 H new ATOM 0 HG SER A 20 -8.324 14.161 -15.129 1.00 0.00 H new ATOM 243 N ASN A 21 -8.388 15.485 -10.490 1.00 0.00 N ATOM 244 CA ASN A 21 -7.326 15.948 -9.604 1.00 0.00 C ATOM 245 C ASN A 21 -6.859 14.826 -8.681 1.00 0.00 C ATOM 246 O ASN A 21 -7.642 14.286 -7.900 1.00 0.00 O ATOM 247 CB ASN A 21 -7.808 17.139 -8.774 1.00 0.00 C ATOM 248 CG ASN A 21 -8.238 18.310 -9.637 1.00 0.00 C ATOM 249 OD1 ASN A 21 -7.417 19.137 -10.034 1.00 0.00 O ATOM 250 ND2 ASN A 21 -9.530 18.384 -9.933 1.00 0.00 N ATOM 0 H ASN A 21 -8.920 14.691 -10.132 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.484 16.261 -10.221 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -8.644 16.827 -8.147 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.009 17.459 -8.105 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.878 19.149 -10.511 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -10.175 17.676 -9.582 1.00 0.00 H new ATOM 257 N SER A 22 -5.579 14.482 -8.778 1.00 0.00 N ATOM 258 CA SER A 22 -5.008 13.423 -7.954 1.00 0.00 C ATOM 259 C SER A 22 -5.642 13.412 -6.567 1.00 0.00 C ATOM 260 O SER A 22 -5.696 14.437 -5.888 1.00 0.00 O ATOM 261 CB SER A 22 -3.493 13.601 -7.834 1.00 0.00 C ATOM 262 OG SER A 22 -2.870 13.536 -9.105 1.00 0.00 O ATOM 0 H SER A 22 -4.918 14.921 -9.419 1.00 0.00 H new ATOM 0 HA SER A 22 -5.217 12.469 -8.437 1.00 0.00 H new ATOM 0 HB2 SER A 22 -3.272 14.560 -7.366 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.083 12.828 -7.185 1.00 0.00 H new ATOM 0 HG SER A 22 -1.903 13.654 -9.002 1.00 0.00 H new ATOM 268 N GLY A 23 -6.122 12.244 -6.151 1.00 0.00 N ATOM 269 CA GLY A 23 -6.746 12.120 -4.847 1.00 0.00 C ATOM 270 C GLY A 23 -5.805 12.484 -3.716 1.00 0.00 C ATOM 271 O GLY A 23 -4.905 11.715 -3.377 1.00 0.00 O ATOM 0 H GLY A 23 -6.090 11.381 -6.694 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.625 12.764 -4.806 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.094 11.096 -4.710 1.00 0.00 H new ATOM 275 N ARG A 24 -6.010 13.660 -3.132 1.00 0.00 N ATOM 276 CA ARG A 24 -5.170 14.125 -2.034 1.00 0.00 C ATOM 277 C ARG A 24 -6.000 14.356 -0.775 1.00 0.00 C ATOM 278 O ARG A 24 -5.773 13.721 0.255 1.00 0.00 O ATOM 279 CB ARG A 24 -4.450 15.416 -2.428 1.00 0.00 C ATOM 280 CG ARG A 24 -3.472 15.241 -3.578 1.00 0.00 C ATOM 281 CD ARG A 24 -2.097 14.822 -3.081 1.00 0.00 C ATOM 282 NE ARG A 24 -1.973 13.371 -2.974 1.00 0.00 N ATOM 283 CZ ARG A 24 -0.808 12.737 -2.892 1.00 0.00 C ATOM 284 NH1 ARG A 24 0.326 13.423 -2.903 1.00 0.00 N ATOM 285 NH2 ARG A 24 -0.777 11.414 -2.797 1.00 0.00 N ATOM 0 H ARG A 24 -6.750 14.308 -3.401 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.430 13.353 -1.823 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.191 16.166 -2.704 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.913 15.802 -1.561 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.854 14.491 -4.271 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -3.390 16.176 -4.133 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.334 15.202 -3.761 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -1.910 15.275 -2.107 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.827 12.814 -2.962 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.306 14.440 -2.975 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.219 12.934 -2.840 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.648 10.883 -2.787 1.00 0.00 H new ATOM 0 HH22 ARG A 24 0.118 10.928 -2.734 1.00 0.00 H new ATOM 299 N ARG A 25 -6.961 15.270 -0.865 1.00 0.00 N ATOM 300 CA ARG A 25 -7.823 15.586 0.267 1.00 0.00 C ATOM 301 C ARG A 25 -8.727 14.405 0.609 1.00 0.00 C ATOM 302 O ARG A 25 -9.030 13.574 -0.247 1.00 0.00 O ATOM 303 CB ARG A 25 -8.673 16.820 -0.041 1.00 0.00 C ATOM 304 CG ARG A 25 -9.065 17.613 1.196 1.00 0.00 C ATOM 305 CD ARG A 25 -9.818 18.882 0.828 1.00 0.00 C ATOM 306 NE ARG A 25 -8.941 19.887 0.234 1.00 0.00 N ATOM 307 CZ ARG A 25 -8.040 20.577 0.925 1.00 0.00 C ATOM 308 NH1 ARG A 25 -7.899 20.372 2.227 1.00 0.00 N ATOM 309 NH2 ARG A 25 -7.278 21.475 0.313 1.00 0.00 N ATOM 0 H ARG A 25 -7.162 15.804 -1.710 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.188 15.796 1.127 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -8.122 17.471 -0.720 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -9.577 16.507 -0.563 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -9.686 16.995 1.844 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -8.170 17.871 1.763 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -10.617 18.639 0.128 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -10.290 19.295 1.720 1.00 0.00 H new ATOM 0 HE ARG A 25 -9.025 20.069 -0.766 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.483 19.683 2.701 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.206 20.903 2.755 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.384 21.636 -0.689 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.587 22.004 0.844 1.00 0.00 H new ATOM 323 N SER A 26 -9.155 14.338 1.865 1.00 0.00 N ATOM 324 CA SER A 26 -10.021 13.257 2.321 1.00 0.00 C ATOM 325 C SER A 26 -11.118 12.972 1.300 1.00 0.00 C ATOM 326 O SER A 26 -11.869 13.867 0.912 1.00 0.00 O ATOM 327 CB SER A 26 -10.647 13.612 3.672 1.00 0.00 C ATOM 328 OG SER A 26 -9.773 13.286 4.739 1.00 0.00 O ATOM 0 H SER A 26 -8.916 15.020 2.585 1.00 0.00 H new ATOM 0 HA SER A 26 -9.412 12.360 2.434 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.880 14.676 3.700 1.00 0.00 H new ATOM 0 HB3 SER A 26 -11.589 13.077 3.792 1.00 0.00 H new ATOM 0 HG SER A 26 -10.194 13.524 5.591 1.00 0.00 H new ATOM 334 N ALA A 27 -11.204 11.718 0.867 1.00 0.00 N ATOM 335 CA ALA A 27 -12.209 11.313 -0.107 1.00 0.00 C ATOM 336 C ALA A 27 -12.637 9.867 0.115 1.00 0.00 C ATOM 337 O ALA A 27 -11.951 9.085 0.773 1.00 0.00 O ATOM 338 CB ALA A 27 -11.677 11.497 -1.521 1.00 0.00 C ATOM 0 H ALA A 27 -10.589 10.965 1.176 1.00 0.00 H new ATOM 0 HA ALA A 27 -13.085 11.948 0.026 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -12.438 11.191 -2.239 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -11.427 12.546 -1.682 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -10.784 10.887 -1.656 1.00 0.00 H new ATOM 344 N PRO A 28 -13.800 9.501 -0.446 1.00 0.00 N ATOM 345 CA PRO A 28 -14.346 8.146 -0.322 1.00 0.00 C ATOM 346 C PRO A 28 -13.533 7.119 -1.104 1.00 0.00 C ATOM 347 O PRO A 28 -12.694 7.461 -1.937 1.00 0.00 O ATOM 348 CB PRO A 28 -15.753 8.276 -0.911 1.00 0.00 C ATOM 349 CG PRO A 28 -15.666 9.430 -1.849 1.00 0.00 C ATOM 350 CD PRO A 28 -14.670 10.381 -1.243 1.00 0.00 C ATOM 0 HA PRO A 28 -14.332 7.793 0.709 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -16.050 7.365 -1.431 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -16.494 8.454 -0.131 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -15.344 9.105 -2.838 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -16.638 9.908 -1.971 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -14.108 10.916 -2.009 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -15.158 11.133 -0.623 1.00 0.00 H new ATOM 358 N PRO A 29 -13.787 5.831 -0.831 1.00 0.00 N ATOM 359 CA PRO A 29 -13.090 4.728 -1.499 1.00 0.00 C ATOM 360 C PRO A 29 -13.484 4.597 -2.966 1.00 0.00 C ATOM 361 O PRO A 29 -14.399 5.275 -3.437 1.00 0.00 O ATOM 362 CB PRO A 29 -13.540 3.495 -0.712 1.00 0.00 C ATOM 363 CG PRO A 29 -14.858 3.876 -0.132 1.00 0.00 C ATOM 364 CD PRO A 29 -14.775 5.351 0.150 1.00 0.00 C ATOM 0 HA PRO A 29 -12.010 4.874 -1.507 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -13.630 2.623 -1.360 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -12.823 3.240 0.068 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -15.668 3.656 -0.827 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -15.060 3.315 0.780 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -15.741 5.840 0.020 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -14.454 5.547 1.173 1.00 0.00 H new ATOM 372 N LEU A 30 -12.790 3.722 -3.685 1.00 0.00 N ATOM 373 CA LEU A 30 -13.068 3.501 -5.100 1.00 0.00 C ATOM 374 C LEU A 30 -14.320 2.649 -5.282 1.00 0.00 C ATOM 375 O LEU A 30 -14.360 1.491 -4.869 1.00 0.00 O ATOM 376 CB LEU A 30 -11.874 2.825 -5.776 1.00 0.00 C ATOM 377 CG LEU A 30 -11.732 3.060 -7.280 1.00 0.00 C ATOM 378 CD1 LEU A 30 -10.403 2.518 -7.782 1.00 0.00 C ATOM 379 CD2 LEU A 30 -12.890 2.419 -8.031 1.00 0.00 C ATOM 0 H LEU A 30 -12.030 3.153 -3.311 1.00 0.00 H new ATOM 0 HA LEU A 30 -13.240 4.471 -5.567 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.963 3.169 -5.287 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -11.943 1.751 -5.601 1.00 0.00 H new ATOM 0 HG LEU A 30 -11.755 4.134 -7.465 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.320 2.694 -8.854 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.586 3.023 -7.267 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.349 1.447 -7.585 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -12.773 2.596 -9.100 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.898 1.346 -7.840 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.830 2.855 -7.692 1.00 0.00 H new ATOM 391 N ASN A 31 -15.340 3.231 -5.905 1.00 0.00 N ATOM 392 CA ASN A 31 -16.593 2.523 -6.144 1.00 0.00 C ATOM 393 C ASN A 31 -16.365 1.291 -7.014 1.00 0.00 C ATOM 394 O ASN A 31 -16.563 1.331 -8.229 1.00 0.00 O ATOM 395 CB ASN A 31 -17.608 3.453 -6.812 1.00 0.00 C ATOM 396 CG ASN A 31 -18.333 4.332 -5.811 1.00 0.00 C ATOM 397 OD1 ASN A 31 -19.011 3.837 -4.910 1.00 0.00 O ATOM 398 ND2 ASN A 31 -18.194 5.644 -5.966 1.00 0.00 N ATOM 0 H ASN A 31 -15.324 4.190 -6.253 1.00 0.00 H new ATOM 0 HA ASN A 31 -16.987 2.197 -5.181 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -17.096 4.082 -7.540 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -18.336 2.857 -7.362 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -18.659 6.286 -5.324 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -17.622 6.010 -6.727 1.00 0.00 H new ATOM 405 N LEU A 32 -15.950 0.198 -6.385 1.00 0.00 N ATOM 406 CA LEU A 32 -15.696 -1.047 -7.101 1.00 0.00 C ATOM 407 C LEU A 32 -16.950 -1.524 -7.827 1.00 0.00 C ATOM 408 O LEU A 32 -16.913 -1.825 -9.020 1.00 0.00 O ATOM 409 CB LEU A 32 -15.212 -2.127 -6.131 1.00 0.00 C ATOM 410 CG LEU A 32 -14.078 -1.724 -5.189 1.00 0.00 C ATOM 411 CD1 LEU A 32 -13.634 -2.911 -4.349 1.00 0.00 C ATOM 412 CD2 LEU A 32 -12.906 -1.157 -5.977 1.00 0.00 C ATOM 0 H LEU A 32 -15.782 0.148 -5.380 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.919 -0.859 -7.842 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -16.060 -2.452 -5.528 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.885 -2.989 -6.712 1.00 0.00 H new ATOM 0 HG LEU A 32 -14.447 -0.949 -4.518 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.826 -2.605 -3.685 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -14.474 -3.272 -3.756 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -13.283 -3.709 -5.003 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.108 -0.875 -5.290 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.537 -1.910 -6.673 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.233 -0.278 -6.533 1.00 0.00 H new ATOM 424 N THR A 33 -18.060 -1.588 -7.099 1.00 0.00 N ATOM 425 CA THR A 33 -19.326 -2.026 -7.673 1.00 0.00 C ATOM 426 C THR A 33 -19.461 -1.569 -9.121 1.00 0.00 C ATOM 427 O THR A 33 -19.646 -0.384 -9.394 1.00 0.00 O ATOM 428 CB THR A 33 -20.524 -1.493 -6.865 1.00 0.00 C ATOM 429 OG1 THR A 33 -21.749 -1.827 -7.527 1.00 0.00 O ATOM 430 CG2 THR A 33 -20.431 0.016 -6.691 1.00 0.00 C ATOM 0 H THR A 33 -18.108 -1.342 -6.110 1.00 0.00 H new ATOM 0 HA THR A 33 -19.329 -3.115 -7.637 1.00 0.00 H new ATOM 0 HB THR A 33 -20.505 -1.959 -5.880 1.00 0.00 H new ATOM 0 HG1 THR A 33 -22.506 -1.486 -7.006 1.00 0.00 H new ATOM 0 HG21 THR A 33 -21.288 0.370 -6.117 1.00 0.00 H new ATOM 0 HG22 THR A 33 -19.512 0.265 -6.161 1.00 0.00 H new ATOM 0 HG23 THR A 33 -20.427 0.496 -7.670 1.00 0.00 H new ATOM 438 N GLY A 34 -19.367 -2.518 -10.048 1.00 0.00 N ATOM 439 CA GLY A 34 -19.481 -2.193 -11.457 1.00 0.00 C ATOM 440 C GLY A 34 -18.183 -2.409 -12.209 1.00 0.00 C ATOM 441 O GLY A 34 -18.144 -3.143 -13.197 1.00 0.00 O ATOM 0 H GLY A 34 -19.214 -3.506 -9.847 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -20.263 -2.805 -11.906 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -19.790 -1.153 -11.563 1.00 0.00 H new ATOM 445 N LEU A 35 -17.118 -1.767 -11.743 1.00 0.00 N ATOM 446 CA LEU A 35 -15.811 -1.891 -12.379 1.00 0.00 C ATOM 447 C LEU A 35 -15.528 -3.339 -12.765 1.00 0.00 C ATOM 448 O LEU A 35 -15.885 -4.278 -12.053 1.00 0.00 O ATOM 449 CB LEU A 35 -14.715 -1.377 -11.444 1.00 0.00 C ATOM 450 CG LEU A 35 -14.513 0.138 -11.415 1.00 0.00 C ATOM 451 CD1 LEU A 35 -13.691 0.545 -10.202 1.00 0.00 C ATOM 452 CD2 LEU A 35 -13.844 0.611 -12.698 1.00 0.00 C ATOM 0 H LEU A 35 -17.133 -1.155 -10.927 1.00 0.00 H new ATOM 0 HA LEU A 35 -15.818 -1.287 -13.286 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -14.942 -1.712 -10.432 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.773 -1.844 -11.731 1.00 0.00 H new ATOM 0 HG LEU A 35 -15.491 0.614 -11.341 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -13.558 1.627 -10.199 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -14.209 0.241 -9.293 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -12.716 0.060 -10.244 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -13.708 1.692 -12.660 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -12.873 0.126 -12.802 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -14.471 0.354 -13.552 1.00 0.00 H new ATOM 464 N PRO A 36 -14.869 -3.527 -13.918 1.00 0.00 N ATOM 465 CA PRO A 36 -14.521 -4.859 -14.423 1.00 0.00 C ATOM 466 C PRO A 36 -13.442 -5.533 -13.583 1.00 0.00 C ATOM 467 O PRO A 36 -12.601 -4.866 -12.982 1.00 0.00 O ATOM 468 CB PRO A 36 -14.002 -4.578 -15.835 1.00 0.00 C ATOM 469 CG PRO A 36 -13.514 -3.171 -15.787 1.00 0.00 C ATOM 470 CD PRO A 36 -14.413 -2.455 -14.817 1.00 0.00 C ATOM 0 HA PRO A 36 -15.371 -5.541 -14.394 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -13.201 -5.266 -16.106 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -14.791 -4.698 -16.578 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -12.475 -3.129 -15.460 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -13.557 -2.709 -16.773 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -13.878 -1.676 -14.274 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -15.249 -1.974 -15.324 1.00 0.00 H new ATOM 478 N GLY A 37 -13.472 -6.862 -13.546 1.00 0.00 N ATOM 479 CA GLY A 37 -12.490 -7.605 -12.777 1.00 0.00 C ATOM 480 C GLY A 37 -12.840 -7.674 -11.303 1.00 0.00 C ATOM 481 O GLY A 37 -12.195 -8.390 -10.537 1.00 0.00 O ATOM 0 H GLY A 37 -14.158 -7.437 -14.034 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.410 -8.616 -13.176 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.512 -7.138 -12.894 1.00 0.00 H new ATOM 485 N THR A 38 -13.865 -6.927 -10.904 1.00 0.00 N ATOM 486 CA THR A 38 -14.298 -6.904 -9.513 1.00 0.00 C ATOM 487 C THR A 38 -14.759 -8.284 -9.058 1.00 0.00 C ATOM 488 O THR A 38 -14.825 -8.562 -7.861 1.00 0.00 O ATOM 489 CB THR A 38 -15.442 -5.896 -9.296 1.00 0.00 C ATOM 490 OG1 THR A 38 -15.021 -4.585 -9.693 1.00 0.00 O ATOM 491 CG2 THR A 38 -15.877 -5.875 -7.839 1.00 0.00 C ATOM 0 H THR A 38 -14.411 -6.330 -11.525 1.00 0.00 H new ATOM 0 HA THR A 38 -13.437 -6.597 -8.920 1.00 0.00 H new ATOM 0 HB THR A 38 -16.290 -6.206 -9.906 1.00 0.00 H new ATOM 0 HG1 THR A 38 -15.602 -4.259 -10.412 1.00 0.00 H new ATOM 0 HG21 THR A 38 -16.686 -5.156 -7.711 1.00 0.00 H new ATOM 0 HG22 THR A 38 -16.224 -6.867 -7.549 1.00 0.00 H new ATOM 0 HG23 THR A 38 -15.033 -5.588 -7.212 1.00 0.00 H new ATOM 499 N GLU A 39 -15.076 -9.144 -10.020 1.00 0.00 N ATOM 500 CA GLU A 39 -15.531 -10.496 -9.717 1.00 0.00 C ATOM 501 C GLU A 39 -14.350 -11.453 -9.592 1.00 0.00 C ATOM 502 O GLU A 39 -14.334 -12.330 -8.728 1.00 0.00 O ATOM 503 CB GLU A 39 -16.490 -10.991 -10.801 1.00 0.00 C ATOM 504 CG GLU A 39 -15.791 -11.444 -12.072 1.00 0.00 C ATOM 505 CD GLU A 39 -16.764 -11.791 -13.181 1.00 0.00 C ATOM 506 OE1 GLU A 39 -17.522 -10.895 -13.607 1.00 0.00 O ATOM 507 OE2 GLU A 39 -16.768 -12.959 -13.624 1.00 0.00 O ATOM 0 H GLU A 39 -15.026 -8.929 -11.016 1.00 0.00 H new ATOM 0 HA GLU A 39 -16.056 -10.469 -8.762 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -17.077 -11.819 -10.404 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -17.191 -10.193 -11.046 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -15.122 -10.655 -12.415 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.172 -12.314 -11.852 1.00 0.00 H new ATOM 514 N LYS A 40 -13.361 -11.279 -10.462 1.00 0.00 N ATOM 515 CA LYS A 40 -12.173 -12.125 -10.451 1.00 0.00 C ATOM 516 C LYS A 40 -11.583 -12.216 -9.047 1.00 0.00 C ATOM 517 O LYS A 40 -11.393 -13.310 -8.512 1.00 0.00 O ATOM 518 CB LYS A 40 -11.124 -11.580 -11.422 1.00 0.00 C ATOM 519 CG LYS A 40 -11.273 -12.108 -12.838 1.00 0.00 C ATOM 520 CD LYS A 40 -10.739 -11.119 -13.861 1.00 0.00 C ATOM 521 CE LYS A 40 -10.847 -11.668 -15.276 1.00 0.00 C ATOM 522 NZ LYS A 40 -12.174 -11.373 -15.885 1.00 0.00 N ATOM 0 H LYS A 40 -13.359 -10.559 -11.184 1.00 0.00 H new ATOM 0 HA LYS A 40 -12.467 -13.125 -10.768 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -11.189 -10.492 -11.440 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.131 -11.834 -11.051 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -10.740 -13.054 -12.932 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -12.324 -12.312 -13.042 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.294 -10.184 -13.789 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.697 -10.889 -13.637 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.060 -11.237 -15.894 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.686 -12.746 -15.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -12.208 -11.763 -16.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -12.924 -11.806 -15.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.317 -10.344 -15.923 1.00 0.00 H new ATOM 536 N LEU A 41 -11.297 -11.062 -8.454 1.00 0.00 N ATOM 537 CA LEU A 41 -10.730 -11.012 -7.111 1.00 0.00 C ATOM 538 C LEU A 41 -11.820 -11.155 -6.054 1.00 0.00 C ATOM 539 O LEU A 41 -12.998 -11.296 -6.379 1.00 0.00 O ATOM 540 CB LEU A 41 -9.973 -9.699 -6.905 1.00 0.00 C ATOM 541 CG LEU A 41 -10.540 -8.477 -7.627 1.00 0.00 C ATOM 542 CD1 LEU A 41 -12.033 -8.348 -7.368 1.00 0.00 C ATOM 543 CD2 LEU A 41 -9.811 -7.214 -7.192 1.00 0.00 C ATOM 0 H LEU A 41 -11.448 -10.149 -8.882 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.036 -11.845 -7.005 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.944 -9.484 -5.837 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.942 -9.842 -7.230 1.00 0.00 H new ATOM 0 HG LEU A 41 -10.388 -8.610 -8.698 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -12.419 -7.472 -7.890 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -12.544 -9.240 -7.730 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -12.209 -8.239 -6.298 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.228 -6.354 -7.716 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.931 -7.077 -6.117 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.751 -7.305 -7.430 1.00 0.00 H new ATOM 555 N ASN A 42 -11.418 -11.116 -4.788 1.00 0.00 N ATOM 556 CA ASN A 42 -12.362 -11.240 -3.682 1.00 0.00 C ATOM 557 C ASN A 42 -12.272 -10.033 -2.753 1.00 0.00 C ATOM 558 O ASN A 42 -11.511 -9.100 -3.004 1.00 0.00 O ATOM 559 CB ASN A 42 -12.093 -12.524 -2.896 1.00 0.00 C ATOM 560 CG ASN A 42 -12.151 -13.761 -3.772 1.00 0.00 C ATOM 561 OD1 ASN A 42 -12.822 -13.773 -4.805 1.00 0.00 O ATOM 562 ND2 ASN A 42 -11.447 -14.810 -3.363 1.00 0.00 N ATOM 0 H ASN A 42 -10.446 -11.000 -4.502 1.00 0.00 H new ATOM 0 HA ASN A 42 -13.368 -11.282 -4.099 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -11.111 -12.460 -2.426 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -12.825 -12.616 -2.094 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.448 -15.670 -3.911 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.905 -14.756 -2.501 1.00 0.00 H new ATOM 569 N GLU A 43 -13.053 -10.061 -1.678 1.00 0.00 N ATOM 570 CA GLU A 43 -13.062 -8.970 -0.711 1.00 0.00 C ATOM 571 C GLU A 43 -11.647 -8.656 -0.233 1.00 0.00 C ATOM 572 O GLU A 43 -11.329 -7.513 0.096 1.00 0.00 O ATOM 573 CB GLU A 43 -13.949 -9.324 0.484 1.00 0.00 C ATOM 574 CG GLU A 43 -13.597 -10.652 1.131 1.00 0.00 C ATOM 575 CD GLU A 43 -14.269 -11.829 0.452 1.00 0.00 C ATOM 576 OE1 GLU A 43 -15.327 -11.626 -0.179 1.00 0.00 O ATOM 577 OE2 GLU A 43 -13.736 -12.954 0.550 1.00 0.00 O ATOM 0 H GLU A 43 -13.688 -10.828 -1.455 1.00 0.00 H new ATOM 0 HA GLU A 43 -13.466 -8.086 -1.204 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.871 -8.534 1.231 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -14.989 -9.353 0.158 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -12.516 -10.790 1.103 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.888 -10.629 2.181 1.00 0.00 H new ATOM 584 N LYS A 44 -10.801 -9.680 -0.196 1.00 0.00 N ATOM 585 CA LYS A 44 -9.419 -9.516 0.241 1.00 0.00 C ATOM 586 C LYS A 44 -8.705 -8.461 -0.596 1.00 0.00 C ATOM 587 O LYS A 44 -8.244 -7.447 -0.071 1.00 0.00 O ATOM 588 CB LYS A 44 -8.672 -10.849 0.148 1.00 0.00 C ATOM 589 CG LYS A 44 -9.044 -11.833 1.242 1.00 0.00 C ATOM 590 CD LYS A 44 -8.202 -11.626 2.489 1.00 0.00 C ATOM 591 CE LYS A 44 -8.180 -12.873 3.361 1.00 0.00 C ATOM 592 NZ LYS A 44 -9.354 -12.930 4.276 1.00 0.00 N ATOM 0 H LYS A 44 -11.048 -10.633 -0.463 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.429 -9.184 1.279 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.876 -11.303 -0.822 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.600 -10.659 0.192 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.099 -11.719 1.491 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.911 -12.851 0.877 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.184 -11.363 2.202 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.598 -10.787 3.062 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.170 -13.760 2.727 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.261 -12.890 3.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.303 -13.794 4.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.350 -12.097 4.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.230 -12.939 3.716 1.00 0.00 H new ATOM 606 N GLU A 45 -8.619 -8.705 -1.900 1.00 0.00 N ATOM 607 CA GLU A 45 -7.961 -7.773 -2.809 1.00 0.00 C ATOM 608 C GLU A 45 -8.802 -6.514 -3.000 1.00 0.00 C ATOM 609 O GLU A 45 -8.286 -5.397 -2.961 1.00 0.00 O ATOM 610 CB GLU A 45 -7.707 -8.441 -4.162 1.00 0.00 C ATOM 611 CG GLU A 45 -7.114 -9.835 -4.052 1.00 0.00 C ATOM 612 CD GLU A 45 -7.438 -10.704 -5.252 1.00 0.00 C ATOM 613 OE1 GLU A 45 -8.487 -11.382 -5.227 1.00 0.00 O ATOM 614 OE2 GLU A 45 -6.643 -10.706 -6.215 1.00 0.00 O ATOM 0 H GLU A 45 -8.996 -9.539 -2.350 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.006 -7.487 -2.368 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.647 -8.498 -4.712 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.033 -7.814 -4.746 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.032 -9.758 -3.946 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.490 -10.315 -3.148 1.00 0.00 H new ATOM 621 N LYS A 46 -10.101 -6.703 -3.208 1.00 0.00 N ATOM 622 CA LYS A 46 -11.015 -5.585 -3.405 1.00 0.00 C ATOM 623 C LYS A 46 -10.737 -4.471 -2.401 1.00 0.00 C ATOM 624 O LYS A 46 -10.776 -3.290 -2.744 1.00 0.00 O ATOM 625 CB LYS A 46 -12.465 -6.056 -3.272 1.00 0.00 C ATOM 626 CG LYS A 46 -12.940 -6.902 -4.440 1.00 0.00 C ATOM 627 CD LYS A 46 -14.309 -7.503 -4.173 1.00 0.00 C ATOM 628 CE LYS A 46 -15.374 -6.426 -4.037 1.00 0.00 C ATOM 629 NZ LYS A 46 -16.739 -7.008 -3.905 1.00 0.00 N ATOM 0 H LYS A 46 -10.544 -7.621 -3.244 1.00 0.00 H new ATOM 0 HA LYS A 46 -10.857 -5.192 -4.409 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -12.568 -6.631 -2.352 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -13.114 -5.185 -3.178 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -12.980 -6.290 -5.341 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -12.222 -7.700 -4.628 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -14.575 -8.179 -4.986 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -14.274 -8.099 -3.261 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -15.157 -5.809 -3.165 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -15.341 -5.771 -4.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -17.436 -6.241 -3.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -16.957 -7.577 -4.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -16.778 -7.613 -3.060 1.00 0.00 H new ATOM 643 N GLU A 47 -10.454 -4.856 -1.160 1.00 0.00 N ATOM 644 CA GLU A 47 -10.169 -3.888 -0.107 1.00 0.00 C ATOM 645 C GLU A 47 -9.063 -2.928 -0.536 1.00 0.00 C ATOM 646 O GLU A 47 -9.208 -1.709 -0.429 1.00 0.00 O ATOM 647 CB GLU A 47 -9.763 -4.608 1.181 1.00 0.00 C ATOM 648 CG GLU A 47 -8.836 -3.792 2.067 1.00 0.00 C ATOM 649 CD GLU A 47 -8.936 -4.182 3.529 1.00 0.00 C ATOM 650 OE1 GLU A 47 -9.940 -3.812 4.174 1.00 0.00 O ATOM 651 OE2 GLU A 47 -8.011 -4.855 4.029 1.00 0.00 O ATOM 0 H GLU A 47 -10.416 -5.830 -0.860 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.076 -3.312 0.077 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.661 -4.861 1.745 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.273 -5.547 0.924 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.808 -3.923 1.729 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.075 -2.734 1.960 1.00 0.00 H new ATOM 658 N LEU A 48 -7.959 -3.485 -1.021 1.00 0.00 N ATOM 659 CA LEU A 48 -6.828 -2.679 -1.467 1.00 0.00 C ATOM 660 C LEU A 48 -7.251 -1.701 -2.558 1.00 0.00 C ATOM 661 O LEU A 48 -6.821 -0.547 -2.572 1.00 0.00 O ATOM 662 CB LEU A 48 -5.705 -3.581 -1.982 1.00 0.00 C ATOM 663 CG LEU A 48 -4.856 -4.273 -0.915 1.00 0.00 C ATOM 664 CD1 LEU A 48 -3.992 -5.357 -1.540 1.00 0.00 C ATOM 665 CD2 LEU A 48 -3.992 -3.257 -0.180 1.00 0.00 C ATOM 0 H LEU A 48 -7.823 -4.491 -1.115 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.464 -2.106 -0.614 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.145 -4.347 -2.620 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.045 -2.983 -2.611 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.525 -4.742 -0.193 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.395 -5.838 -0.765 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.630 -6.099 -2.020 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.331 -4.912 -2.283 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.394 -3.767 0.576 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.332 -2.760 -0.890 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.631 -2.517 0.301 1.00 0.00 H new ATOM 677 N CYS A 49 -8.098 -2.170 -3.468 1.00 0.00 N ATOM 678 CA CYS A 49 -8.581 -1.336 -4.563 1.00 0.00 C ATOM 679 C CYS A 49 -9.203 -0.048 -4.033 1.00 0.00 C ATOM 680 O CYS A 49 -9.187 0.982 -4.705 1.00 0.00 O ATOM 681 CB CYS A 49 -9.604 -2.103 -5.402 1.00 0.00 C ATOM 682 SG CYS A 49 -8.912 -3.504 -6.312 1.00 0.00 S ATOM 0 H CYS A 49 -8.464 -3.122 -3.469 1.00 0.00 H new ATOM 0 HA CYS A 49 -7.729 -1.075 -5.191 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -10.397 -2.465 -4.747 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -10.065 -1.415 -6.111 1.00 0.00 H new ATOM 0 HG CYS A 49 -8.316 -3.073 -7.384 1.00 0.00 H new ATOM 688 N GLN A 50 -9.752 -0.117 -2.824 1.00 0.00 N ATOM 689 CA GLN A 50 -10.382 1.043 -2.205 1.00 0.00 C ATOM 690 C GLN A 50 -9.354 1.887 -1.458 1.00 0.00 C ATOM 691 O GLN A 50 -9.079 3.026 -1.834 1.00 0.00 O ATOM 692 CB GLN A 50 -11.488 0.599 -1.246 1.00 0.00 C ATOM 693 CG GLN A 50 -12.491 -0.354 -1.875 1.00 0.00 C ATOM 694 CD GLN A 50 -13.694 -0.605 -0.987 1.00 0.00 C ATOM 695 OE1 GLN A 50 -14.445 0.316 -0.665 1.00 0.00 O ATOM 696 NE2 GLN A 50 -13.883 -1.857 -0.586 1.00 0.00 N ATOM 0 H GLN A 50 -9.773 -0.963 -2.255 1.00 0.00 H new ATOM 0 HA GLN A 50 -10.820 1.652 -2.996 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -11.035 0.117 -0.380 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -12.016 1.480 -0.880 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -12.827 0.055 -2.828 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -11.999 -1.303 -2.091 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -13.235 -2.589 -0.877 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -14.676 -2.086 0.013 1.00 0.00 H new ATOM 705 N VAL A 51 -8.789 1.319 -0.396 1.00 0.00 N ATOM 706 CA VAL A 51 -7.790 2.019 0.403 1.00 0.00 C ATOM 707 C VAL A 51 -6.615 2.469 -0.456 1.00 0.00 C ATOM 708 O VAL A 51 -5.891 3.399 -0.099 1.00 0.00 O ATOM 709 CB VAL A 51 -7.265 1.131 1.547 1.00 0.00 C ATOM 710 CG1 VAL A 51 -6.948 -0.266 1.036 1.00 0.00 C ATOM 711 CG2 VAL A 51 -6.041 1.763 2.192 1.00 0.00 C ATOM 0 H VAL A 51 -9.006 0.377 -0.070 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.281 2.895 0.828 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.044 1.046 2.305 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.578 -0.879 1.858 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -7.851 -0.717 0.625 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.187 -0.205 0.258 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.683 1.123 2.998 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.256 1.880 1.445 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.306 2.740 2.595 1.00 0.00 H new ATOM 721 N VAL A 52 -6.430 1.804 -1.592 1.00 0.00 N ATOM 722 CA VAL A 52 -5.343 2.137 -2.505 1.00 0.00 C ATOM 723 C VAL A 52 -5.869 2.828 -3.758 1.00 0.00 C ATOM 724 O VAL A 52 -5.103 3.410 -4.527 1.00 0.00 O ATOM 725 CB VAL A 52 -4.553 0.881 -2.918 1.00 0.00 C ATOM 726 CG1 VAL A 52 -3.216 1.269 -3.532 1.00 0.00 C ATOM 727 CG2 VAL A 52 -4.354 -0.040 -1.724 1.00 0.00 C ATOM 0 H VAL A 52 -7.019 1.031 -1.902 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.678 2.816 -1.971 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.128 0.342 -3.671 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.672 0.369 -3.818 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.386 1.886 -4.415 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.631 1.831 -2.804 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.794 -0.922 -2.034 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.800 0.486 -0.947 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.325 -0.345 -1.334 1.00 0.00 H new ATOM 737 N ARG A 53 -7.181 2.761 -3.957 1.00 0.00 N ATOM 738 CA ARG A 53 -7.811 3.380 -5.117 1.00 0.00 C ATOM 739 C ARG A 53 -7.285 2.767 -6.412 1.00 0.00 C ATOM 740 O ARG A 53 -6.888 3.482 -7.333 1.00 0.00 O ATOM 741 CB ARG A 53 -7.560 4.889 -5.116 1.00 0.00 C ATOM 742 CG ARG A 53 -8.216 5.614 -3.953 1.00 0.00 C ATOM 743 CD ARG A 53 -9.648 6.010 -4.279 1.00 0.00 C ATOM 744 NE ARG A 53 -9.710 7.242 -5.060 1.00 0.00 N ATOM 745 CZ ARG A 53 -10.817 7.686 -5.645 1.00 0.00 C ATOM 746 NH1 ARG A 53 -11.948 7.002 -5.537 1.00 0.00 N ATOM 747 NH2 ARG A 53 -10.795 8.817 -6.339 1.00 0.00 N ATOM 0 H ARG A 53 -7.829 2.284 -3.330 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.884 3.197 -5.057 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.486 5.070 -5.087 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.929 5.311 -6.051 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.206 4.973 -3.071 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.638 6.505 -3.706 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.130 5.205 -4.833 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -10.208 6.139 -3.353 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.857 7.792 -5.162 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -11.969 6.133 -5.004 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -12.797 7.345 -5.987 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -9.927 9.347 -6.424 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.646 9.157 -6.788 1.00 0.00 H new ATOM 761 N LEU A 54 -7.286 1.440 -6.476 1.00 0.00 N ATOM 762 CA LEU A 54 -6.808 0.730 -7.657 1.00 0.00 C ATOM 763 C LEU A 54 -7.903 -0.160 -8.236 1.00 0.00 C ATOM 764 O LEU A 54 -8.424 -1.044 -7.555 1.00 0.00 O ATOM 765 CB LEU A 54 -5.580 -0.112 -7.309 1.00 0.00 C ATOM 766 CG LEU A 54 -4.668 -0.484 -8.479 1.00 0.00 C ATOM 767 CD1 LEU A 54 -5.461 -0.551 -9.774 1.00 0.00 C ATOM 768 CD2 LEU A 54 -3.525 0.513 -8.601 1.00 0.00 C ATOM 0 H LEU A 54 -7.613 0.834 -5.723 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.531 1.470 -8.408 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.989 0.431 -6.572 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.918 -1.032 -6.831 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.245 -1.470 -8.286 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.795 -0.817 -10.595 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.244 -1.304 -9.683 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.914 0.420 -9.974 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.886 0.233 -9.438 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.929 1.511 -8.771 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.940 0.510 -7.681 1.00 0.00 H new ATOM 780 N VAL A 55 -8.246 0.077 -9.499 1.00 0.00 N ATOM 781 CA VAL A 55 -9.276 -0.706 -10.171 1.00 0.00 C ATOM 782 C VAL A 55 -8.968 -2.197 -10.098 1.00 0.00 C ATOM 783 O VAL A 55 -7.832 -2.632 -10.285 1.00 0.00 O ATOM 784 CB VAL A 55 -9.419 -0.295 -11.648 1.00 0.00 C ATOM 785 CG1 VAL A 55 -8.339 -0.953 -12.493 1.00 0.00 C ATOM 786 CG2 VAL A 55 -10.804 -0.649 -12.168 1.00 0.00 C ATOM 0 H VAL A 55 -7.825 0.805 -10.077 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.214 -0.506 -9.653 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.294 0.785 -11.720 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.457 -0.651 -13.534 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.357 -0.644 -12.134 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.428 -2.037 -12.418 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -10.887 -0.351 -13.213 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -10.961 -1.724 -12.083 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.558 -0.125 -11.581 1.00 0.00 H new ATOM 796 N PRO A 56 -10.004 -3.002 -9.819 1.00 0.00 N ATOM 797 CA PRO A 56 -9.870 -4.459 -9.716 1.00 0.00 C ATOM 798 C PRO A 56 -9.598 -5.113 -11.066 1.00 0.00 C ATOM 799 O PRO A 56 -9.415 -6.326 -11.153 1.00 0.00 O ATOM 800 CB PRO A 56 -11.230 -4.902 -9.170 1.00 0.00 C ATOM 801 CG PRO A 56 -12.176 -3.833 -9.596 1.00 0.00 C ATOM 802 CD PRO A 56 -11.387 -2.553 -9.584 1.00 0.00 C ATOM 0 HA PRO A 56 -9.028 -4.748 -9.087 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -11.521 -5.872 -9.573 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -11.208 -5.001 -8.085 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.573 -4.037 -10.590 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.028 -3.773 -8.918 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.724 -1.866 -10.360 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.484 -2.030 -8.632 1.00 0.00 H new ATOM 810 N GLY A 57 -9.573 -4.300 -12.118 1.00 0.00 N ATOM 811 CA GLY A 57 -9.323 -4.819 -13.450 1.00 0.00 C ATOM 812 C GLY A 57 -7.862 -4.725 -13.843 1.00 0.00 C ATOM 813 O GLY A 57 -7.403 -5.447 -14.728 1.00 0.00 O ATOM 0 H GLY A 57 -9.721 -3.292 -12.071 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -9.643 -5.860 -13.497 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.926 -4.267 -14.171 1.00 0.00 H new ATOM 817 N ALA A 58 -7.130 -3.832 -13.186 1.00 0.00 N ATOM 818 CA ALA A 58 -5.712 -3.647 -13.472 1.00 0.00 C ATOM 819 C ALA A 58 -4.847 -4.396 -12.464 1.00 0.00 C ATOM 820 O ALA A 58 -4.017 -5.225 -12.839 1.00 0.00 O ATOM 821 CB ALA A 58 -5.363 -2.166 -13.472 1.00 0.00 C ATOM 0 H ALA A 58 -7.495 -3.225 -12.452 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.509 -4.057 -14.461 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.302 -2.042 -13.687 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.950 -1.654 -14.235 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.587 -1.739 -12.494 1.00 0.00 H new ATOM 827 N TYR A 59 -5.045 -4.099 -11.185 1.00 0.00 N ATOM 828 CA TYR A 59 -4.279 -4.742 -10.124 1.00 0.00 C ATOM 829 C TYR A 59 -3.997 -6.202 -10.464 1.00 0.00 C ATOM 830 O TYR A 59 -2.973 -6.758 -10.064 1.00 0.00 O ATOM 831 CB TYR A 59 -5.034 -4.653 -8.796 1.00 0.00 C ATOM 832 CG TYR A 59 -4.667 -5.745 -7.816 1.00 0.00 C ATOM 833 CD1 TYR A 59 -3.550 -5.623 -6.998 1.00 0.00 C ATOM 834 CD2 TYR A 59 -5.435 -6.897 -7.709 1.00 0.00 C ATOM 835 CE1 TYR A 59 -3.210 -6.618 -6.102 1.00 0.00 C ATOM 836 CE2 TYR A 59 -5.103 -7.896 -6.815 1.00 0.00 C ATOM 837 CZ TYR A 59 -3.989 -7.752 -6.013 1.00 0.00 C ATOM 838 OH TYR A 59 -3.655 -8.745 -5.122 1.00 0.00 O ATOM 0 H TYR A 59 -5.729 -3.417 -10.858 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.327 -4.219 -10.030 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.835 -3.684 -8.339 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.105 -4.698 -8.993 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.938 -4.736 -7.064 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.307 -7.014 -8.336 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -2.338 -6.508 -5.474 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -5.712 -8.785 -6.744 1.00 0.00 H new ATOM 0 HH TYR A 59 -4.093 -8.574 -4.262 1.00 0.00 H new ATOM 848 N LEU A 60 -4.911 -6.817 -11.206 1.00 0.00 N ATOM 849 CA LEU A 60 -4.761 -8.213 -11.603 1.00 0.00 C ATOM 850 C LEU A 60 -3.657 -8.368 -12.644 1.00 0.00 C ATOM 851 O LEU A 60 -2.792 -9.234 -12.520 1.00 0.00 O ATOM 852 CB LEU A 60 -6.081 -8.750 -12.159 1.00 0.00 C ATOM 853 CG LEU A 60 -7.292 -8.646 -11.231 1.00 0.00 C ATOM 854 CD1 LEU A 60 -8.552 -9.115 -11.942 1.00 0.00 C ATOM 855 CD2 LEU A 60 -7.062 -9.453 -9.961 1.00 0.00 C ATOM 0 H LEU A 60 -5.764 -6.371 -11.545 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.485 -8.789 -10.719 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.308 -8.215 -13.081 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.941 -9.798 -12.425 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.424 -7.600 -10.954 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.403 -9.034 -11.266 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.726 -8.494 -12.821 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.431 -10.154 -12.250 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.934 -9.367 -9.313 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.903 -10.500 -10.219 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.184 -9.070 -9.441 1.00 0.00 H new ATOM 867 N GLU A 61 -3.694 -7.521 -13.668 1.00 0.00 N ATOM 868 CA GLU A 61 -2.695 -7.564 -14.730 1.00 0.00 C ATOM 869 C GLU A 61 -1.287 -7.432 -14.158 1.00 0.00 C ATOM 870 O GLU A 61 -0.333 -8.001 -14.690 1.00 0.00 O ATOM 871 CB GLU A 61 -2.951 -6.450 -15.747 1.00 0.00 C ATOM 872 CG GLU A 61 -3.870 -6.863 -16.884 1.00 0.00 C ATOM 873 CD GLU A 61 -3.457 -8.177 -17.519 1.00 0.00 C ATOM 874 OE1 GLU A 61 -2.435 -8.195 -18.236 1.00 0.00 O ATOM 875 OE2 GLU A 61 -4.157 -9.187 -17.299 1.00 0.00 O ATOM 0 H GLU A 61 -4.404 -6.798 -13.785 1.00 0.00 H new ATOM 0 HA GLU A 61 -2.776 -8.529 -15.231 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -3.386 -5.593 -15.233 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.998 -6.123 -16.162 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -4.890 -6.950 -16.509 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -3.875 -6.082 -17.644 1.00 0.00 H new ATOM 882 N TYR A 62 -1.164 -6.678 -13.071 1.00 0.00 N ATOM 883 CA TYR A 62 0.127 -6.468 -12.428 1.00 0.00 C ATOM 884 C TYR A 62 0.588 -7.730 -11.706 1.00 0.00 C ATOM 885 O TYR A 62 1.780 -8.034 -11.660 1.00 0.00 O ATOM 886 CB TYR A 62 0.045 -5.303 -11.439 1.00 0.00 C ATOM 887 CG TYR A 62 -0.638 -4.078 -12.003 1.00 0.00 C ATOM 888 CD1 TYR A 62 -0.650 -3.832 -13.371 1.00 0.00 C ATOM 889 CD2 TYR A 62 -1.271 -3.165 -11.168 1.00 0.00 C ATOM 890 CE1 TYR A 62 -1.272 -2.713 -13.890 1.00 0.00 C ATOM 891 CE2 TYR A 62 -1.897 -2.044 -11.679 1.00 0.00 C ATOM 892 CZ TYR A 62 -1.894 -1.822 -13.040 1.00 0.00 C ATOM 893 OH TYR A 62 -2.515 -0.707 -13.553 1.00 0.00 O ATOM 0 H TYR A 62 -1.943 -6.202 -12.617 1.00 0.00 H new ATOM 0 HA TYR A 62 0.855 -6.228 -13.203 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -0.492 -5.630 -10.548 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.053 -5.034 -11.123 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.165 -4.528 -14.040 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -1.274 -3.335 -10.101 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -1.271 -2.537 -14.956 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -2.386 -1.346 -11.016 1.00 0.00 H new ATOM 0 HH TYR A 62 -2.905 -0.184 -12.822 1.00 0.00 H new ATOM 903 N LYS A 63 -0.366 -8.464 -11.144 1.00 0.00 N ATOM 904 CA LYS A 63 -0.062 -9.696 -10.425 1.00 0.00 C ATOM 905 C LYS A 63 0.891 -10.574 -11.230 1.00 0.00 C ATOM 906 O LYS A 63 1.916 -11.025 -10.719 1.00 0.00 O ATOM 907 CB LYS A 63 -1.349 -10.466 -10.123 1.00 0.00 C ATOM 908 CG LYS A 63 -2.269 -9.753 -9.147 1.00 0.00 C ATOM 909 CD LYS A 63 -1.950 -10.123 -7.708 1.00 0.00 C ATOM 910 CE LYS A 63 -2.714 -11.363 -7.269 1.00 0.00 C ATOM 911 NZ LYS A 63 -2.596 -11.598 -5.803 1.00 0.00 N ATOM 0 H LYS A 63 -1.358 -8.227 -11.173 1.00 0.00 H new ATOM 0 HA LYS A 63 0.423 -9.429 -9.486 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.886 -10.639 -11.055 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.091 -11.444 -9.717 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.173 -8.675 -9.276 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.305 -10.009 -9.368 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.879 -10.299 -7.605 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.201 -9.289 -7.053 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.765 -11.255 -7.536 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.336 -12.232 -7.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.198 -12.401 -5.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.606 -11.810 -5.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.901 -10.747 -5.289 1.00 0.00 H new ATOM 925 N SER A 64 0.547 -10.811 -12.492 1.00 0.00 N ATOM 926 CA SER A 64 1.370 -11.637 -13.367 1.00 0.00 C ATOM 927 C SER A 64 2.792 -11.089 -13.452 1.00 0.00 C ATOM 928 O SER A 64 3.754 -11.771 -13.101 1.00 0.00 O ATOM 929 CB SER A 64 0.754 -11.708 -14.765 1.00 0.00 C ATOM 930 OG SER A 64 -0.447 -12.459 -14.756 1.00 0.00 O ATOM 0 H SER A 64 -0.297 -10.442 -12.931 1.00 0.00 H new ATOM 0 HA SER A 64 1.411 -12.641 -12.945 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.554 -10.700 -15.129 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.465 -12.161 -15.456 1.00 0.00 H new ATOM 0 HG SER A 64 -0.822 -12.488 -15.661 1.00 0.00 H new ATOM 936 N ALA A 65 2.915 -9.852 -13.921 1.00 0.00 N ATOM 937 CA ALA A 65 4.217 -9.210 -14.051 1.00 0.00 C ATOM 938 C ALA A 65 5.028 -9.349 -12.767 1.00 0.00 C ATOM 939 O ALA A 65 6.122 -9.915 -12.770 1.00 0.00 O ATOM 940 CB ALA A 65 4.048 -7.742 -14.415 1.00 0.00 C ATOM 0 H ALA A 65 2.128 -9.274 -14.217 1.00 0.00 H new ATOM 0 HA ALA A 65 4.763 -9.710 -14.851 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.029 -7.275 -14.509 1.00 0.00 H new ATOM 0 HB2 ALA A 65 3.515 -7.661 -15.363 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.479 -7.237 -13.635 1.00 0.00 H new ATOM 946 N LEU A 66 4.486 -8.828 -11.672 1.00 0.00 N ATOM 947 CA LEU A 66 5.160 -8.893 -10.380 1.00 0.00 C ATOM 948 C LEU A 66 5.642 -10.311 -10.088 1.00 0.00 C ATOM 949 O LEU A 66 6.813 -10.528 -9.772 1.00 0.00 O ATOM 950 CB LEU A 66 4.221 -8.423 -9.268 1.00 0.00 C ATOM 951 CG LEU A 66 3.956 -6.918 -9.205 1.00 0.00 C ATOM 952 CD1 LEU A 66 3.412 -6.529 -7.839 1.00 0.00 C ATOM 953 CD2 LEU A 66 5.226 -6.140 -9.517 1.00 0.00 C ATOM 0 H LEU A 66 3.582 -8.356 -11.653 1.00 0.00 H new ATOM 0 HA LEU A 66 6.027 -8.234 -10.417 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.266 -8.935 -9.385 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.637 -8.739 -8.311 1.00 0.00 H new ATOM 0 HG LEU A 66 3.207 -6.668 -9.956 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.229 -5.455 -7.813 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.478 -7.060 -7.654 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.138 -6.793 -7.070 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.019 -5.071 -9.468 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.997 -6.394 -8.789 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.573 -6.397 -10.518 1.00 0.00 H new ATOM 965 N LEU A 67 4.733 -11.273 -10.197 1.00 0.00 N ATOM 966 CA LEU A 67 5.065 -12.672 -9.948 1.00 0.00 C ATOM 967 C LEU A 67 5.967 -13.222 -11.048 1.00 0.00 C ATOM 968 O LEU A 67 6.655 -14.224 -10.857 1.00 0.00 O ATOM 969 CB LEU A 67 3.789 -13.510 -9.851 1.00 0.00 C ATOM 970 CG LEU A 67 2.830 -13.144 -8.717 1.00 0.00 C ATOM 971 CD1 LEU A 67 1.454 -13.740 -8.970 1.00 0.00 C ATOM 972 CD2 LEU A 67 3.381 -13.616 -7.380 1.00 0.00 C ATOM 0 H LEU A 67 3.760 -11.110 -10.456 1.00 0.00 H new ATOM 0 HA LEU A 67 5.602 -12.729 -9.001 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.251 -13.427 -10.796 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.073 -14.556 -9.736 1.00 0.00 H new ATOM 0 HG LEU A 67 2.733 -12.059 -8.684 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.785 -13.470 -8.153 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.057 -13.353 -9.908 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.533 -14.825 -9.030 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.686 -13.347 -6.585 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.508 -14.698 -7.400 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.345 -13.141 -7.196 1.00 0.00 H new ATOM 984 N ASN A 68 5.959 -12.559 -12.200 1.00 0.00 N ATOM 985 CA ASN A 68 6.777 -12.980 -13.331 1.00 0.00 C ATOM 986 C ASN A 68 8.260 -12.928 -12.978 1.00 0.00 C ATOM 987 O ASN A 68 8.970 -13.927 -13.089 1.00 0.00 O ATOM 988 CB ASN A 68 6.498 -12.095 -14.547 1.00 0.00 C ATOM 989 CG ASN A 68 6.697 -12.833 -15.857 1.00 0.00 C ATOM 990 OD1 ASN A 68 7.815 -13.210 -16.207 1.00 0.00 O ATOM 991 ND2 ASN A 68 5.608 -13.043 -16.588 1.00 0.00 N ATOM 0 H ASN A 68 5.395 -11.728 -12.375 1.00 0.00 H new ATOM 0 HA ASN A 68 6.516 -14.010 -13.573 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.475 -11.722 -14.495 1.00 0.00 H new ATOM 0 HB3 ASN A 68 7.155 -11.226 -14.519 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.679 -13.535 -17.479 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.701 -12.713 -16.258 1.00 0.00 H new ATOM 998 N GLU A 69 8.721 -11.755 -12.553 1.00 0.00 N ATOM 999 CA GLU A 69 10.120 -11.573 -12.185 1.00 0.00 C ATOM 1000 C GLU A 69 10.457 -12.361 -10.922 1.00 0.00 C ATOM 1001 O GLU A 69 11.333 -13.227 -10.933 1.00 0.00 O ATOM 1002 CB GLU A 69 10.424 -10.089 -11.970 1.00 0.00 C ATOM 1003 CG GLU A 69 10.941 -9.387 -13.215 1.00 0.00 C ATOM 1004 CD GLU A 69 11.292 -7.934 -12.962 1.00 0.00 C ATOM 1005 OE1 GLU A 69 11.744 -7.619 -11.841 1.00 0.00 O ATOM 1006 OE2 GLU A 69 11.114 -7.111 -13.884 1.00 0.00 O ATOM 0 H GLU A 69 8.146 -10.918 -12.455 1.00 0.00 H new ATOM 0 HA GLU A 69 10.736 -11.948 -13.002 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.518 -9.587 -11.630 1.00 0.00 H new ATOM 0 HB3 GLU A 69 11.162 -9.990 -11.174 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.823 -9.911 -13.583 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.186 -9.443 -13.999 1.00 0.00 H new ATOM 1013 N CYS A 70 9.757 -12.053 -9.836 1.00 0.00 N ATOM 1014 CA CYS A 70 9.983 -12.731 -8.564 1.00 0.00 C ATOM 1015 C CYS A 70 10.151 -14.232 -8.770 1.00 0.00 C ATOM 1016 O CYS A 70 10.746 -14.921 -7.940 1.00 0.00 O ATOM 1017 CB CYS A 70 8.821 -12.462 -7.606 1.00 0.00 C ATOM 1018 SG CYS A 70 8.834 -13.495 -6.122 1.00 0.00 S ATOM 0 H CYS A 70 9.029 -11.339 -9.810 1.00 0.00 H new ATOM 0 HA CYS A 70 10.902 -12.338 -8.129 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.846 -11.414 -7.307 1.00 0.00 H new ATOM 0 HB3 CYS A 70 7.882 -12.619 -8.137 1.00 0.00 H new ATOM 0 HG CYS A 70 9.623 -14.512 -6.308 1.00 0.00 H new ATOM 1024 N HIS A 71 9.622 -14.735 -9.881 1.00 0.00 N ATOM 1025 CA HIS A 71 9.713 -16.156 -10.196 1.00 0.00 C ATOM 1026 C HIS A 71 11.056 -16.484 -10.844 1.00 0.00 C ATOM 1027 O HIS A 71 11.817 -17.308 -10.335 1.00 0.00 O ATOM 1028 CB HIS A 71 8.572 -16.568 -11.126 1.00 0.00 C ATOM 1029 CG HIS A 71 7.287 -16.851 -10.409 1.00 0.00 C ATOM 1030 ND1 HIS A 71 6.321 -17.701 -10.903 1.00 0.00 N ATOM 1031 CD2 HIS A 71 6.814 -16.392 -9.227 1.00 0.00 C ATOM 1032 CE1 HIS A 71 5.308 -17.751 -10.057 1.00 0.00 C ATOM 1033 NE2 HIS A 71 5.582 -16.966 -9.031 1.00 0.00 N ATOM 0 H HIS A 71 9.126 -14.180 -10.578 1.00 0.00 H new ATOM 0 HA HIS A 71 9.632 -16.715 -9.264 1.00 0.00 H new ATOM 0 HB2 HIS A 71 8.405 -15.775 -11.855 1.00 0.00 H new ATOM 0 HB3 HIS A 71 8.871 -17.456 -11.683 1.00 0.00 H new ATOM 0 HD2 HIS A 71 7.313 -15.703 -8.562 1.00 0.00 H new ATOM 0 HE1 HIS A 71 4.408 -18.335 -10.183 1.00 0.00 H new ATOM 0 HE2 HIS A 71 4.977 -16.811 -8.224 1.00 0.00 H new ATOM 1042 N LYS A 72 11.339 -15.836 -11.968 1.00 0.00 N ATOM 1043 CA LYS A 72 12.589 -16.058 -12.685 1.00 0.00 C ATOM 1044 C LYS A 72 13.785 -15.645 -11.834 1.00 0.00 C ATOM 1045 O LYS A 72 14.751 -16.396 -11.699 1.00 0.00 O ATOM 1046 CB LYS A 72 12.592 -15.276 -14.001 1.00 0.00 C ATOM 1047 CG LYS A 72 12.634 -13.769 -13.813 1.00 0.00 C ATOM 1048 CD LYS A 72 12.193 -13.038 -15.069 1.00 0.00 C ATOM 1049 CE LYS A 72 13.371 -12.737 -15.982 1.00 0.00 C ATOM 1050 NZ LYS A 72 12.931 -12.412 -17.367 1.00 0.00 N ATOM 0 H LYS A 72 10.719 -15.152 -12.403 1.00 0.00 H new ATOM 0 HA LYS A 72 12.670 -17.123 -12.902 1.00 0.00 H new ATOM 0 HB2 LYS A 72 13.453 -15.584 -14.595 1.00 0.00 H new ATOM 0 HB3 LYS A 72 11.701 -15.538 -14.572 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.988 -13.487 -12.981 1.00 0.00 H new ATOM 0 HG3 LYS A 72 13.646 -13.462 -13.549 1.00 0.00 H new ATOM 0 HD2 LYS A 72 11.461 -13.643 -15.605 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.697 -12.107 -14.794 1.00 0.00 H new ATOM 0 HE2 LYS A 72 13.940 -11.901 -15.576 1.00 0.00 H new ATOM 0 HE3 LYS A 72 14.041 -13.597 -16.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 13.763 -12.213 -17.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.409 -13.219 -17.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 12.312 -11.576 -17.348 1.00 0.00 H new ATOM 1064 N GLN A 73 13.714 -14.448 -11.261 1.00 0.00 N ATOM 1065 CA GLN A 73 14.791 -13.937 -10.422 1.00 0.00 C ATOM 1066 C GLN A 73 14.833 -14.668 -9.085 1.00 0.00 C ATOM 1067 O GLN A 73 15.797 -15.369 -8.779 1.00 0.00 O ATOM 1068 CB GLN A 73 14.617 -12.435 -10.191 1.00 0.00 C ATOM 1069 CG GLN A 73 14.171 -11.676 -11.430 1.00 0.00 C ATOM 1070 CD GLN A 73 15.158 -11.796 -12.575 1.00 0.00 C ATOM 1071 OE1 GLN A 73 16.165 -12.496 -12.470 1.00 0.00 O ATOM 1072 NE2 GLN A 73 14.872 -11.113 -13.677 1.00 0.00 N ATOM 0 H GLN A 73 12.922 -13.814 -11.363 1.00 0.00 H new ATOM 0 HA GLN A 73 15.734 -14.111 -10.940 1.00 0.00 H new ATOM 0 HB2 GLN A 73 13.886 -12.280 -9.398 1.00 0.00 H new ATOM 0 HB3 GLN A 73 15.561 -12.018 -9.840 1.00 0.00 H new ATOM 0 HG2 GLN A 73 13.200 -12.052 -11.752 1.00 0.00 H new ATOM 0 HG3 GLN A 73 14.038 -10.624 -11.179 1.00 0.00 H new ATOM 0 HE21 GLN A 73 14.026 -10.545 -13.720 1.00 0.00 H new ATOM 0 HE22 GLN A 73 15.499 -11.156 -14.481 1.00 0.00 H new ATOM 1081 N GLY A 74 13.781 -14.499 -8.290 1.00 0.00 N ATOM 1082 CA GLY A 74 13.718 -15.149 -6.994 1.00 0.00 C ATOM 1083 C GLY A 74 13.500 -14.165 -5.862 1.00 0.00 C ATOM 1084 O GLY A 74 13.051 -14.542 -4.780 1.00 0.00 O ATOM 0 H GLY A 74 12.971 -13.923 -8.520 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.910 -15.880 -6.997 1.00 0.00 H new ATOM 0 HA3 GLY A 74 14.644 -15.698 -6.821 1.00 0.00 H new ATOM 1088 N GLY A 75 13.821 -12.898 -6.110 1.00 0.00 N ATOM 1089 CA GLY A 75 13.653 -11.877 -5.093 1.00 0.00 C ATOM 1090 C GLY A 75 13.339 -10.517 -5.684 1.00 0.00 C ATOM 1091 O GLY A 75 14.229 -9.831 -6.189 1.00 0.00 O ATOM 0 H GLY A 75 14.194 -12.561 -6.997 1.00 0.00 H new ATOM 0 HA2 GLY A 75 12.850 -12.170 -4.417 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.563 -11.809 -4.496 1.00 0.00 H new ATOM 1095 N LEU A 76 12.071 -10.125 -5.623 1.00 0.00 N ATOM 1096 CA LEU A 76 11.642 -8.837 -6.157 1.00 0.00 C ATOM 1097 C LEU A 76 11.390 -7.838 -5.033 1.00 0.00 C ATOM 1098 O LEU A 76 10.956 -8.211 -3.943 1.00 0.00 O ATOM 1099 CB LEU A 76 10.374 -9.008 -6.996 1.00 0.00 C ATOM 1100 CG LEU A 76 10.190 -8.015 -8.144 1.00 0.00 C ATOM 1101 CD1 LEU A 76 11.065 -8.399 -9.328 1.00 0.00 C ATOM 1102 CD2 LEU A 76 8.728 -7.945 -8.559 1.00 0.00 C ATOM 0 H LEU A 76 11.322 -10.680 -5.209 1.00 0.00 H new ATOM 0 HA LEU A 76 12.440 -8.450 -6.790 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.370 -10.016 -7.410 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.511 -8.931 -6.334 1.00 0.00 H new ATOM 0 HG LEU A 76 10.496 -7.028 -7.798 1.00 0.00 H new ATOM 0 HD11 LEU A 76 10.921 -7.681 -10.135 1.00 0.00 H new ATOM 0 HD12 LEU A 76 12.111 -8.396 -9.023 1.00 0.00 H new ATOM 0 HD13 LEU A 76 10.791 -9.395 -9.675 1.00 0.00 H new ATOM 0 HD21 LEU A 76 8.616 -7.233 -9.377 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.395 -8.930 -8.886 1.00 0.00 H new ATOM 0 HD23 LEU A 76 8.124 -7.621 -7.711 1.00 0.00 H new ATOM 1114 N ARG A 77 11.663 -6.566 -5.307 1.00 0.00 N ATOM 1115 CA ARG A 77 11.465 -5.512 -4.319 1.00 0.00 C ATOM 1116 C ARG A 77 10.553 -4.418 -4.866 1.00 0.00 C ATOM 1117 O ARG A 77 10.038 -4.524 -5.980 1.00 0.00 O ATOM 1118 CB ARG A 77 12.810 -4.911 -3.907 1.00 0.00 C ATOM 1119 CG ARG A 77 13.553 -4.240 -5.050 1.00 0.00 C ATOM 1120 CD ARG A 77 14.792 -3.510 -4.557 1.00 0.00 C ATOM 1121 NE ARG A 77 14.465 -2.476 -3.579 1.00 0.00 N ATOM 1122 CZ ARG A 77 14.332 -2.710 -2.278 1.00 0.00 C ATOM 1123 NH1 ARG A 77 14.497 -3.936 -1.802 1.00 0.00 N ATOM 1124 NH2 ARG A 77 14.034 -1.717 -1.451 1.00 0.00 N ATOM 0 H ARG A 77 12.022 -6.241 -6.205 1.00 0.00 H new ATOM 0 HA ARG A 77 10.989 -5.954 -3.444 1.00 0.00 H new ATOM 0 HB2 ARG A 77 12.645 -4.181 -3.114 1.00 0.00 H new ATOM 0 HB3 ARG A 77 13.438 -5.698 -3.490 1.00 0.00 H new ATOM 0 HG2 ARG A 77 13.840 -4.989 -5.788 1.00 0.00 H new ATOM 0 HG3 ARG A 77 12.890 -3.535 -5.552 1.00 0.00 H new ATOM 0 HD2 ARG A 77 15.481 -4.227 -4.110 1.00 0.00 H new ATOM 0 HD3 ARG A 77 15.307 -3.058 -5.404 1.00 0.00 H new ATOM 0 HE ARG A 77 14.331 -1.522 -3.913 1.00 0.00 H new ATOM 0 HH11 ARG A 77 14.727 -4.702 -2.435 1.00 0.00 H new ATOM 0 HH12 ARG A 77 14.394 -4.113 -0.803 1.00 0.00 H new ATOM 0 HH21 ARG A 77 13.907 -0.772 -1.814 1.00 0.00 H new ATOM 0 HH22 ARG A 77 13.932 -1.898 -0.452 1.00 0.00 H new ATOM 1138 N LEU A 78 10.357 -3.369 -4.076 1.00 0.00 N ATOM 1139 CA LEU A 78 9.506 -2.255 -4.480 1.00 0.00 C ATOM 1140 C LEU A 78 10.036 -1.598 -5.751 1.00 0.00 C ATOM 1141 O LEU A 78 9.384 -1.626 -6.794 1.00 0.00 O ATOM 1142 CB LEU A 78 9.418 -1.220 -3.357 1.00 0.00 C ATOM 1143 CG LEU A 78 8.456 -0.055 -3.591 1.00 0.00 C ATOM 1144 CD1 LEU A 78 7.016 -0.545 -3.598 1.00 0.00 C ATOM 1145 CD2 LEU A 78 8.651 1.019 -2.531 1.00 0.00 C ATOM 0 H LEU A 78 10.776 -3.266 -3.152 1.00 0.00 H new ATOM 0 HA LEU A 78 8.509 -2.647 -4.683 1.00 0.00 H new ATOM 0 HB2 LEU A 78 9.121 -1.731 -2.441 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.415 -0.813 -3.186 1.00 0.00 H new ATOM 0 HG LEU A 78 8.674 0.381 -4.566 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.346 0.298 -3.766 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.885 -1.277 -4.395 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.784 -1.007 -2.638 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.958 1.840 -2.713 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.460 0.596 -1.545 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.674 1.391 -2.574 1.00 0.00 H new ATOM 1157 N ALA A 79 11.224 -1.010 -5.656 1.00 0.00 N ATOM 1158 CA ALA A 79 11.844 -0.351 -6.799 1.00 0.00 C ATOM 1159 C ALA A 79 11.575 -1.119 -8.088 1.00 0.00 C ATOM 1160 O ALA A 79 11.133 -0.544 -9.082 1.00 0.00 O ATOM 1161 CB ALA A 79 13.341 -0.201 -6.574 1.00 0.00 C ATOM 0 H ALA A 79 11.776 -0.977 -4.799 1.00 0.00 H new ATOM 0 HA ALA A 79 11.402 0.640 -6.899 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.791 0.293 -7.435 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.516 0.398 -5.680 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.790 -1.186 -6.445 1.00 0.00 H new ATOM 1167 N GLN A 80 11.845 -2.420 -8.064 1.00 0.00 N ATOM 1168 CA GLN A 80 11.633 -3.266 -9.232 1.00 0.00 C ATOM 1169 C GLN A 80 10.146 -3.404 -9.542 1.00 0.00 C ATOM 1170 O GLN A 80 9.744 -3.422 -10.704 1.00 0.00 O ATOM 1171 CB GLN A 80 12.250 -4.647 -9.007 1.00 0.00 C ATOM 1172 CG GLN A 80 13.662 -4.599 -8.446 1.00 0.00 C ATOM 1173 CD GLN A 80 14.720 -4.563 -9.531 1.00 0.00 C ATOM 1174 OE1 GLN A 80 15.360 -3.535 -9.757 1.00 0.00 O ATOM 1175 NE2 GLN A 80 14.911 -5.688 -10.210 1.00 0.00 N ATOM 0 H GLN A 80 12.211 -2.911 -7.248 1.00 0.00 H new ATOM 0 HA GLN A 80 12.120 -2.793 -10.085 1.00 0.00 H new ATOM 0 HB2 GLN A 80 11.616 -5.212 -8.324 1.00 0.00 H new ATOM 0 HB3 GLN A 80 12.262 -5.189 -9.953 1.00 0.00 H new ATOM 0 HG2 GLN A 80 13.767 -3.719 -7.812 1.00 0.00 H new ATOM 0 HG3 GLN A 80 13.827 -5.470 -7.812 1.00 0.00 H new ATOM 0 HE21 GLN A 80 14.359 -6.517 -9.990 1.00 0.00 H new ATOM 0 HE22 GLN A 80 15.610 -5.724 -10.952 1.00 0.00 H new ATOM 1184 N ALA A 81 9.336 -3.502 -8.493 1.00 0.00 N ATOM 1185 CA ALA A 81 7.893 -3.637 -8.653 1.00 0.00 C ATOM 1186 C ALA A 81 7.291 -2.385 -9.282 1.00 0.00 C ATOM 1187 O ALA A 81 6.721 -2.439 -10.372 1.00 0.00 O ATOM 1188 CB ALA A 81 7.238 -3.924 -7.311 1.00 0.00 C ATOM 0 H ALA A 81 9.654 -3.490 -7.524 1.00 0.00 H new ATOM 0 HA ALA A 81 7.703 -4.475 -9.323 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.161 -4.022 -7.446 1.00 0.00 H new ATOM 0 HB2 ALA A 81 7.639 -4.851 -6.901 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.444 -3.104 -6.623 1.00 0.00 H new ATOM 1194 N ARG A 82 7.419 -1.259 -8.587 1.00 0.00 N ATOM 1195 CA ARG A 82 6.886 0.006 -9.076 1.00 0.00 C ATOM 1196 C ARG A 82 7.361 0.282 -10.500 1.00 0.00 C ATOM 1197 O ARG A 82 6.795 1.119 -11.203 1.00 0.00 O ATOM 1198 CB ARG A 82 7.307 1.152 -8.155 1.00 0.00 C ATOM 1199 CG ARG A 82 8.775 1.527 -8.281 1.00 0.00 C ATOM 1200 CD ARG A 82 9.024 2.961 -7.840 1.00 0.00 C ATOM 1201 NE ARG A 82 10.257 3.501 -8.405 1.00 0.00 N ATOM 1202 CZ ARG A 82 10.575 4.791 -8.377 1.00 0.00 C ATOM 1203 NH1 ARG A 82 9.754 5.667 -7.815 1.00 0.00 N ATOM 1204 NH2 ARG A 82 11.716 5.206 -8.912 1.00 0.00 N ATOM 0 H ARG A 82 7.888 -1.198 -7.683 1.00 0.00 H new ATOM 0 HA ARG A 82 5.798 -0.065 -9.082 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.697 2.028 -8.376 1.00 0.00 H new ATOM 0 HB3 ARG A 82 7.100 0.872 -7.122 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.378 0.849 -7.676 1.00 0.00 H new ATOM 0 HG3 ARG A 82 9.096 1.402 -9.315 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.183 3.585 -8.143 1.00 0.00 H new ATOM 0 HD3 ARG A 82 9.075 3.002 -6.752 1.00 0.00 H new ATOM 0 HE ARG A 82 10.910 2.853 -8.845 1.00 0.00 H new ATOM 0 HH11 ARG A 82 8.876 5.351 -7.403 1.00 0.00 H new ATOM 0 HH12 ARG A 82 10.000 6.657 -7.795 1.00 0.00 H new ATOM 0 HH21 ARG A 82 12.350 4.535 -9.345 1.00 0.00 H new ATOM 0 HH22 ARG A 82 11.959 6.196 -8.890 1.00 0.00 H new ATOM 1218 N ALA A 83 8.405 -0.427 -10.918 1.00 0.00 N ATOM 1219 CA ALA A 83 8.956 -0.259 -12.257 1.00 0.00 C ATOM 1220 C ALA A 83 8.263 -1.182 -13.254 1.00 0.00 C ATOM 1221 O ALA A 83 8.204 -0.888 -14.449 1.00 0.00 O ATOM 1222 CB ALA A 83 10.455 -0.518 -12.247 1.00 0.00 C ATOM 0 H ALA A 83 8.886 -1.123 -10.348 1.00 0.00 H new ATOM 0 HA ALA A 83 8.779 0.770 -12.571 1.00 0.00 H new ATOM 0 HB1 ALA A 83 10.853 -0.389 -13.253 1.00 0.00 H new ATOM 0 HB2 ALA A 83 10.941 0.186 -11.571 1.00 0.00 H new ATOM 0 HB3 ALA A 83 10.646 -1.537 -11.909 1.00 0.00 H new ATOM 1228 N LEU A 84 7.743 -2.298 -12.757 1.00 0.00 N ATOM 1229 CA LEU A 84 7.055 -3.265 -13.606 1.00 0.00 C ATOM 1230 C LEU A 84 5.642 -2.794 -13.933 1.00 0.00 C ATOM 1231 O LEU A 84 5.023 -3.271 -14.885 1.00 0.00 O ATOM 1232 CB LEU A 84 7.002 -4.630 -12.918 1.00 0.00 C ATOM 1233 CG LEU A 84 8.180 -5.566 -13.192 1.00 0.00 C ATOM 1234 CD1 LEU A 84 8.215 -6.694 -12.173 1.00 0.00 C ATOM 1235 CD2 LEU A 84 8.100 -6.124 -14.605 1.00 0.00 C ATOM 0 H LEU A 84 7.784 -2.556 -11.771 1.00 0.00 H new ATOM 0 HA LEU A 84 7.613 -3.355 -14.538 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.934 -4.470 -11.842 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.085 -5.133 -13.224 1.00 0.00 H new ATOM 0 HG LEU A 84 9.103 -4.993 -13.100 1.00 0.00 H new ATOM 0 HD11 LEU A 84 9.060 -7.349 -12.385 1.00 0.00 H new ATOM 0 HD12 LEU A 84 8.321 -6.277 -11.172 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.289 -7.266 -12.231 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.946 -6.788 -14.782 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.171 -6.681 -14.724 1.00 0.00 H new ATOM 0 HD23 LEU A 84 8.126 -5.304 -15.322 1.00 0.00 H new ATOM 1247 N ILE A 85 5.139 -1.853 -13.141 1.00 0.00 N ATOM 1248 CA ILE A 85 3.800 -1.315 -13.349 1.00 0.00 C ATOM 1249 C ILE A 85 3.858 0.121 -13.858 1.00 0.00 C ATOM 1250 O ILE A 85 2.870 0.653 -14.366 1.00 0.00 O ATOM 1251 CB ILE A 85 2.969 -1.356 -12.054 1.00 0.00 C ATOM 1252 CG1 ILE A 85 3.867 -1.121 -10.838 1.00 0.00 C ATOM 1253 CG2 ILE A 85 2.242 -2.687 -11.932 1.00 0.00 C ATOM 1254 CD1 ILE A 85 3.130 -1.189 -9.519 1.00 0.00 C ATOM 0 H ILE A 85 5.638 -1.447 -12.349 1.00 0.00 H new ATOM 0 HA ILE A 85 3.320 -1.944 -14.098 1.00 0.00 H new ATOM 0 HB ILE A 85 2.225 -0.560 -12.093 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.665 -1.863 -10.837 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.341 -0.144 -10.930 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.659 -2.700 -11.011 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.576 -2.817 -12.785 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.969 -3.498 -11.912 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.830 -1.013 -8.702 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.349 -0.428 -9.499 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.679 -2.175 -9.405 1.00 0.00 H new ATOM 1266 N LYS A 86 5.023 0.745 -13.720 1.00 0.00 N ATOM 1267 CA LYS A 86 5.213 2.120 -14.168 1.00 0.00 C ATOM 1268 C LYS A 86 4.203 3.052 -13.506 1.00 0.00 C ATOM 1269 O LYS A 86 3.738 4.014 -14.119 1.00 0.00 O ATOM 1270 CB LYS A 86 5.080 2.205 -15.690 1.00 0.00 C ATOM 1271 CG LYS A 86 6.081 1.341 -16.437 1.00 0.00 C ATOM 1272 CD LYS A 86 7.349 2.112 -16.765 1.00 0.00 C ATOM 1273 CE LYS A 86 8.397 1.950 -15.675 1.00 0.00 C ATOM 1274 NZ LYS A 86 9.297 0.793 -15.938 1.00 0.00 N ATOM 0 H LYS A 86 5.850 0.320 -13.301 1.00 0.00 H new ATOM 0 HA LYS A 86 6.216 2.435 -13.879 1.00 0.00 H new ATOM 0 HB2 LYS A 86 4.071 1.907 -15.975 1.00 0.00 H new ATOM 0 HB3 LYS A 86 5.206 3.242 -16.000 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.331 0.468 -15.834 1.00 0.00 H new ATOM 0 HG3 LYS A 86 5.629 0.973 -17.358 1.00 0.00 H new ATOM 0 HD2 LYS A 86 7.753 1.762 -17.715 1.00 0.00 H new ATOM 0 HD3 LYS A 86 7.112 3.169 -16.889 1.00 0.00 H new ATOM 0 HE2 LYS A 86 8.990 2.862 -15.603 1.00 0.00 H new ATOM 0 HE3 LYS A 86 7.903 1.814 -14.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 10.288 1.104 -15.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 9.126 0.052 -15.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 9.106 0.413 -16.887 1.00 0.00 H new ATOM 1288 N ILE A 87 3.870 2.763 -12.253 1.00 0.00 N ATOM 1289 CA ILE A 87 2.918 3.577 -11.508 1.00 0.00 C ATOM 1290 C ILE A 87 3.555 4.155 -10.249 1.00 0.00 C ATOM 1291 O ILE A 87 4.560 3.640 -9.757 1.00 0.00 O ATOM 1292 CB ILE A 87 1.671 2.765 -11.112 1.00 0.00 C ATOM 1293 CG1 ILE A 87 2.041 1.687 -10.090 1.00 0.00 C ATOM 1294 CG2 ILE A 87 1.034 2.138 -12.343 1.00 0.00 C ATOM 1295 CD1 ILE A 87 0.902 1.313 -9.168 1.00 0.00 C ATOM 0 H ILE A 87 4.246 1.971 -11.732 1.00 0.00 H new ATOM 0 HA ILE A 87 2.617 4.392 -12.167 1.00 0.00 H new ATOM 0 HB ILE A 87 0.947 3.439 -10.655 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.377 0.795 -10.620 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.882 2.038 -9.492 1.00 0.00 H new ATOM 0 HG21 ILE A 87 0.154 1.567 -12.047 1.00 0.00 H new ATOM 0 HG22 ILE A 87 0.740 2.923 -13.040 1.00 0.00 H new ATOM 0 HG23 ILE A 87 1.751 1.474 -12.826 1.00 0.00 H new ATOM 0 HD11 ILE A 87 1.236 0.544 -8.471 1.00 0.00 H new ATOM 0 HD12 ILE A 87 0.581 2.193 -8.611 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.068 0.931 -9.757 1.00 0.00 H new ATOM 1307 N ASP A 88 2.964 5.226 -9.731 1.00 0.00 N ATOM 1308 CA ASP A 88 3.472 5.873 -8.527 1.00 0.00 C ATOM 1309 C ASP A 88 3.709 4.851 -7.420 1.00 0.00 C ATOM 1310 O ASP A 88 2.797 4.123 -7.027 1.00 0.00 O ATOM 1311 CB ASP A 88 2.493 6.946 -8.047 1.00 0.00 C ATOM 1312 CG ASP A 88 3.175 8.031 -7.237 1.00 0.00 C ATOM 1313 OD1 ASP A 88 4.267 8.478 -7.645 1.00 0.00 O ATOM 1314 OD2 ASP A 88 2.617 8.432 -6.194 1.00 0.00 O ATOM 0 H ASP A 88 2.132 5.665 -10.126 1.00 0.00 H new ATOM 0 HA ASP A 88 4.424 6.344 -8.771 1.00 0.00 H new ATOM 0 HB2 ASP A 88 2.000 7.396 -8.909 1.00 0.00 H new ATOM 0 HB3 ASP A 88 1.715 6.480 -7.442 1.00 0.00 H new ATOM 1319 N VAL A 89 4.940 4.801 -6.921 1.00 0.00 N ATOM 1320 CA VAL A 89 5.297 3.868 -5.858 1.00 0.00 C ATOM 1321 C VAL A 89 4.307 3.947 -4.702 1.00 0.00 C ATOM 1322 O VAL A 89 3.983 2.937 -4.079 1.00 0.00 O ATOM 1323 CB VAL A 89 6.715 4.141 -5.325 1.00 0.00 C ATOM 1324 CG1 VAL A 89 6.808 5.546 -4.750 1.00 0.00 C ATOM 1325 CG2 VAL A 89 7.101 3.103 -4.282 1.00 0.00 C ATOM 0 H VAL A 89 5.707 5.395 -7.236 1.00 0.00 H new ATOM 0 HA VAL A 89 5.266 2.868 -6.291 1.00 0.00 H new ATOM 0 HB VAL A 89 7.417 4.067 -6.156 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.818 5.721 -4.378 1.00 0.00 H new ATOM 0 HG12 VAL A 89 6.577 6.274 -5.528 1.00 0.00 H new ATOM 0 HG13 VAL A 89 6.096 5.652 -3.931 1.00 0.00 H new ATOM 0 HG21 VAL A 89 8.106 3.311 -3.916 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.397 3.143 -3.451 1.00 0.00 H new ATOM 0 HG23 VAL A 89 7.077 2.110 -4.731 1.00 0.00 H new ATOM 1335 N ASN A 90 3.829 5.155 -4.420 1.00 0.00 N ATOM 1336 CA ASN A 90 2.875 5.366 -3.338 1.00 0.00 C ATOM 1337 C ASN A 90 1.711 4.385 -3.439 1.00 0.00 C ATOM 1338 O ASN A 90 1.047 4.088 -2.446 1.00 0.00 O ATOM 1339 CB ASN A 90 2.350 6.803 -3.366 1.00 0.00 C ATOM 1340 CG ASN A 90 3.417 7.817 -3.001 1.00 0.00 C ATOM 1341 OD1 ASN A 90 4.612 7.550 -3.132 1.00 0.00 O ATOM 1342 ND2 ASN A 90 2.990 8.986 -2.541 1.00 0.00 N ATOM 0 H ASN A 90 4.087 6.002 -4.926 1.00 0.00 H new ATOM 0 HA ASN A 90 3.391 5.193 -2.394 1.00 0.00 H new ATOM 0 HB2 ASN A 90 1.966 7.027 -4.361 1.00 0.00 H new ATOM 0 HB3 ASN A 90 1.514 6.895 -2.673 1.00 0.00 H new ATOM 0 HD21 ASN A 90 3.662 9.707 -2.279 1.00 0.00 H new ATOM 0 HD22 ASN A 90 1.990 9.163 -2.449 1.00 0.00 H new ATOM 1349 N LYS A 91 1.469 3.885 -4.646 1.00 0.00 N ATOM 1350 CA LYS A 91 0.387 2.936 -4.879 1.00 0.00 C ATOM 1351 C LYS A 91 0.832 1.514 -4.553 1.00 0.00 C ATOM 1352 O LYS A 91 0.373 0.916 -3.579 1.00 0.00 O ATOM 1353 CB LYS A 91 -0.083 3.015 -6.333 1.00 0.00 C ATOM 1354 CG LYS A 91 -0.253 4.436 -6.842 1.00 0.00 C ATOM 1355 CD LYS A 91 -1.318 4.518 -7.922 1.00 0.00 C ATOM 1356 CE LYS A 91 -2.699 4.747 -7.327 1.00 0.00 C ATOM 1357 NZ LYS A 91 -3.641 5.332 -8.321 1.00 0.00 N ATOM 0 H LYS A 91 2.008 4.122 -5.479 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.442 3.198 -4.221 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.635 2.495 -6.967 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -1.032 2.488 -6.428 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.523 5.090 -6.013 1.00 0.00 H new ATOM 0 HG3 LYS A 91 0.696 4.798 -7.238 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.078 5.329 -8.610 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.320 3.596 -8.504 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.098 3.801 -6.961 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.618 5.413 -6.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -4.571 5.473 -7.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.273 6.247 -8.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -3.738 4.685 -9.130 1.00 0.00 H new ATOM 1371 N THR A 92 1.728 0.976 -5.374 1.00 0.00 N ATOM 1372 CA THR A 92 2.235 -0.376 -5.173 1.00 0.00 C ATOM 1373 C THR A 92 2.641 -0.600 -3.722 1.00 0.00 C ATOM 1374 O THR A 92 2.512 -1.706 -3.195 1.00 0.00 O ATOM 1375 CB THR A 92 3.444 -0.663 -6.083 1.00 0.00 C ATOM 1376 OG1 THR A 92 4.061 -1.898 -5.702 1.00 0.00 O ATOM 1377 CG2 THR A 92 4.462 0.464 -6.004 1.00 0.00 C ATOM 0 H THR A 92 2.118 1.456 -6.185 1.00 0.00 H new ATOM 0 HA THR A 92 1.426 -1.059 -5.430 1.00 0.00 H new ATOM 0 HB THR A 92 3.088 -0.737 -7.110 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.828 -2.074 -6.286 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.306 0.238 -6.655 1.00 0.00 H new ATOM 0 HG22 THR A 92 3.997 1.397 -6.323 1.00 0.00 H new ATOM 0 HG23 THR A 92 4.813 0.566 -4.977 1.00 0.00 H new ATOM 1385 N ARG A 93 3.132 0.455 -3.079 1.00 0.00 N ATOM 1386 CA ARG A 93 3.557 0.372 -1.687 1.00 0.00 C ATOM 1387 C ARG A 93 2.570 -0.452 -0.865 1.00 0.00 C ATOM 1388 O ARG A 93 2.964 -1.210 0.022 1.00 0.00 O ATOM 1389 CB ARG A 93 3.692 1.773 -1.088 1.00 0.00 C ATOM 1390 CG ARG A 93 5.078 2.374 -1.251 1.00 0.00 C ATOM 1391 CD ARG A 93 5.394 3.357 -0.134 1.00 0.00 C ATOM 1392 NE ARG A 93 5.730 2.677 1.114 1.00 0.00 N ATOM 1393 CZ ARG A 93 6.183 3.304 2.194 1.00 0.00 C ATOM 1394 NH1 ARG A 93 6.352 4.619 2.179 1.00 0.00 N ATOM 1395 NH2 ARG A 93 6.466 2.616 3.292 1.00 0.00 N ATOM 0 H ARG A 93 3.245 1.377 -3.500 1.00 0.00 H new ATOM 0 HA ARG A 93 4.528 -0.122 -1.659 1.00 0.00 H new ATOM 0 HB2 ARG A 93 2.962 2.432 -1.558 1.00 0.00 H new ATOM 0 HB3 ARG A 93 3.446 1.731 -0.027 1.00 0.00 H new ATOM 0 HG2 ARG A 93 5.822 1.578 -1.258 1.00 0.00 H new ATOM 0 HG3 ARG A 93 5.145 2.881 -2.213 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.226 3.993 -0.436 1.00 0.00 H new ATOM 0 HD3 ARG A 93 4.536 4.010 0.028 1.00 0.00 H new ATOM 0 HE ARG A 93 5.610 1.665 1.159 1.00 0.00 H new ATOM 0 HH11 ARG A 93 6.134 5.152 1.337 1.00 0.00 H new ATOM 0 HH12 ARG A 93 6.700 5.098 3.010 1.00 0.00 H new ATOM 0 HH21 ARG A 93 6.336 1.604 3.308 1.00 0.00 H new ATOM 0 HH22 ARG A 93 6.814 3.098 4.121 1.00 0.00 H new ATOM 1409 N LYS A 94 1.285 -0.298 -1.165 1.00 0.00 N ATOM 1410 CA LYS A 94 0.240 -1.026 -0.456 1.00 0.00 C ATOM 1411 C LYS A 94 0.058 -2.423 -1.041 1.00 0.00 C ATOM 1412 O LYS A 94 -0.223 -3.378 -0.316 1.00 0.00 O ATOM 1413 CB LYS A 94 -1.081 -0.258 -0.522 1.00 0.00 C ATOM 1414 CG LYS A 94 -0.906 1.249 -0.600 1.00 0.00 C ATOM 1415 CD LYS A 94 -2.078 1.980 0.032 1.00 0.00 C ATOM 1416 CE LYS A 94 -1.654 3.325 0.602 1.00 0.00 C ATOM 1417 NZ LYS A 94 -2.812 4.247 0.768 1.00 0.00 N ATOM 0 H LYS A 94 0.942 0.326 -1.896 1.00 0.00 H new ATOM 0 HA LYS A 94 0.544 -1.124 0.586 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.644 -0.595 -1.392 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.677 -0.501 0.358 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.017 1.536 -0.096 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -0.807 1.551 -1.643 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -2.859 2.129 -0.713 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -2.506 1.366 0.825 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -1.169 3.174 1.566 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -0.917 3.783 -0.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -2.644 5.117 0.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -3.677 3.784 0.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.924 4.485 1.774 1.00 0.00 H new ATOM 1431 N ILE A 95 0.222 -2.535 -2.354 1.00 0.00 N ATOM 1432 CA ILE A 95 0.078 -3.816 -3.035 1.00 0.00 C ATOM 1433 C ILE A 95 1.258 -4.734 -2.734 1.00 0.00 C ATOM 1434 O ILE A 95 1.104 -5.768 -2.083 1.00 0.00 O ATOM 1435 CB ILE A 95 -0.040 -3.633 -4.560 1.00 0.00 C ATOM 1436 CG1 ILE A 95 -1.131 -2.613 -4.890 1.00 0.00 C ATOM 1437 CG2 ILE A 95 -0.333 -4.967 -5.232 1.00 0.00 C ATOM 1438 CD1 ILE A 95 -1.107 -2.147 -6.329 1.00 0.00 C ATOM 0 H ILE A 95 0.455 -1.754 -2.968 1.00 0.00 H new ATOM 0 HA ILE A 95 -0.839 -4.271 -2.660 1.00 0.00 H new ATOM 0 HB ILE A 95 0.910 -3.257 -4.941 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -2.105 -3.053 -4.675 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -1.020 -1.749 -4.235 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -0.414 -4.822 -6.309 1.00 0.00 H new ATOM 0 HG22 ILE A 95 0.475 -5.667 -5.020 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -1.271 -5.369 -4.849 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.908 -1.425 -6.491 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.147 -1.678 -6.544 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.249 -3.002 -6.991 1.00 0.00 H new ATOM 1450 N TYR A 96 2.436 -4.349 -3.211 1.00 0.00 N ATOM 1451 CA TYR A 96 3.643 -5.138 -2.994 1.00 0.00 C ATOM 1452 C TYR A 96 3.655 -5.741 -1.593 1.00 0.00 C ATOM 1453 O TYR A 96 3.687 -6.961 -1.431 1.00 0.00 O ATOM 1454 CB TYR A 96 4.887 -4.272 -3.200 1.00 0.00 C ATOM 1455 CG TYR A 96 6.178 -4.971 -2.838 1.00 0.00 C ATOM 1456 CD1 TYR A 96 6.658 -6.026 -3.604 1.00 0.00 C ATOM 1457 CD2 TYR A 96 6.919 -4.575 -1.731 1.00 0.00 C ATOM 1458 CE1 TYR A 96 7.836 -6.669 -3.277 1.00 0.00 C ATOM 1459 CE2 TYR A 96 8.100 -5.210 -1.398 1.00 0.00 C ATOM 1460 CZ TYR A 96 8.554 -6.257 -2.173 1.00 0.00 C ATOM 1461 OH TYR A 96 9.729 -6.893 -1.845 1.00 0.00 O ATOM 0 H TYR A 96 2.581 -3.496 -3.750 1.00 0.00 H new ATOM 0 HA TYR A 96 3.651 -5.951 -3.720 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.933 -3.959 -4.243 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.793 -3.367 -2.600 1.00 0.00 H new ATOM 0 HD1 TYR A 96 6.100 -6.349 -4.471 1.00 0.00 H new ATOM 0 HD2 TYR A 96 6.566 -3.757 -1.121 1.00 0.00 H new ATOM 0 HE1 TYR A 96 8.193 -7.489 -3.882 1.00 0.00 H new ATOM 0 HE2 TYR A 96 8.665 -4.888 -0.535 1.00 0.00 H new ATOM 0 HH TYR A 96 9.989 -7.496 -2.573 1.00 0.00 H new ATOM 1471 N ASP A 97 3.629 -4.877 -0.584 1.00 0.00 N ATOM 1472 CA ASP A 97 3.635 -5.323 0.804 1.00 0.00 C ATOM 1473 C ASP A 97 2.609 -6.430 1.024 1.00 0.00 C ATOM 1474 O ASP A 97 2.947 -7.522 1.483 1.00 0.00 O ATOM 1475 CB ASP A 97 3.346 -4.149 1.740 1.00 0.00 C ATOM 1476 CG ASP A 97 3.444 -4.536 3.203 1.00 0.00 C ATOM 1477 OD1 ASP A 97 2.739 -5.482 3.614 1.00 0.00 O ATOM 1478 OD2 ASP A 97 4.225 -3.894 3.936 1.00 0.00 O ATOM 0 H ASP A 97 3.604 -3.864 -0.702 1.00 0.00 H new ATOM 0 HA ASP A 97 4.625 -5.721 1.028 1.00 0.00 H new ATOM 0 HB2 ASP A 97 4.049 -3.342 1.533 1.00 0.00 H new ATOM 0 HB3 ASP A 97 2.347 -3.763 1.536 1.00 0.00 H new ATOM 1483 N PHE A 98 1.355 -6.141 0.695 1.00 0.00 N ATOM 1484 CA PHE A 98 0.278 -7.111 0.858 1.00 0.00 C ATOM 1485 C PHE A 98 0.667 -8.460 0.260 1.00 0.00 C ATOM 1486 O PHE A 98 0.375 -9.512 0.830 1.00 0.00 O ATOM 1487 CB PHE A 98 -1.004 -6.598 0.199 1.00 0.00 C ATOM 1488 CG PHE A 98 -2.087 -7.635 0.107 1.00 0.00 C ATOM 1489 CD1 PHE A 98 -3.003 -7.791 1.134 1.00 0.00 C ATOM 1490 CD2 PHE A 98 -2.188 -8.454 -1.006 1.00 0.00 C ATOM 1491 CE1 PHE A 98 -4.001 -8.744 1.053 1.00 0.00 C ATOM 1492 CE2 PHE A 98 -3.184 -9.408 -1.094 1.00 0.00 C ATOM 1493 CZ PHE A 98 -4.091 -9.554 -0.062 1.00 0.00 C ATOM 0 H PHE A 98 1.059 -5.243 0.314 1.00 0.00 H new ATOM 0 HA PHE A 98 0.100 -7.244 1.925 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -1.377 -5.744 0.764 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.769 -6.239 -0.803 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -2.937 -7.161 2.008 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -1.480 -8.346 -1.814 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -4.709 -8.855 1.861 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -3.253 -10.038 -1.968 1.00 0.00 H new ATOM 0 HZ PHE A 98 -4.869 -10.300 -0.127 1.00 0.00 H new ATOM 1503 N LEU A 99 1.326 -8.422 -0.893 1.00 0.00 N ATOM 1504 CA LEU A 99 1.755 -9.640 -1.570 1.00 0.00 C ATOM 1505 C LEU A 99 2.888 -10.318 -0.806 1.00 0.00 C ATOM 1506 O LEU A 99 2.920 -11.543 -0.681 1.00 0.00 O ATOM 1507 CB LEU A 99 2.205 -9.323 -2.997 1.00 0.00 C ATOM 1508 CG LEU A 99 1.147 -8.708 -3.914 1.00 0.00 C ATOM 1509 CD1 LEU A 99 1.763 -8.304 -5.244 1.00 0.00 C ATOM 1510 CD2 LEU A 99 -0.002 -9.682 -4.130 1.00 0.00 C ATOM 0 H LEU A 99 1.575 -7.560 -1.379 1.00 0.00 H new ATOM 0 HA LEU A 99 0.907 -10.323 -1.607 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.053 -8.641 -2.946 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.564 -10.244 -3.456 1.00 0.00 H new ATOM 0 HG LEU A 99 0.753 -7.813 -3.433 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.995 -7.868 -5.883 1.00 0.00 H new ATOM 0 HD12 LEU A 99 2.551 -7.571 -5.072 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.185 -9.183 -5.731 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.746 -9.228 -4.785 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.377 -10.595 -4.589 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.461 -9.922 -3.171 1.00 0.00 H new ATOM 1522 N ILE A 100 3.814 -9.514 -0.295 1.00 0.00 N ATOM 1523 CA ILE A 100 4.946 -10.036 0.460 1.00 0.00 C ATOM 1524 C ILE A 100 4.479 -10.787 1.702 1.00 0.00 C ATOM 1525 O ILE A 100 4.991 -11.861 2.019 1.00 0.00 O ATOM 1526 CB ILE A 100 5.907 -8.910 0.885 1.00 0.00 C ATOM 1527 CG1 ILE A 100 6.638 -8.346 -0.335 1.00 0.00 C ATOM 1528 CG2 ILE A 100 6.902 -9.424 1.916 1.00 0.00 C ATOM 1529 CD1 ILE A 100 7.756 -9.235 -0.833 1.00 0.00 C ATOM 0 H ILE A 100 3.803 -8.499 -0.390 1.00 0.00 H new ATOM 0 HA ILE A 100 5.475 -10.724 -0.200 1.00 0.00 H new ATOM 0 HB ILE A 100 5.325 -8.108 1.339 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.920 -8.193 -1.141 1.00 0.00 H new ATOM 0 HG13 ILE A 100 7.047 -7.368 -0.083 1.00 0.00 H new ATOM 0 HG21 ILE A 100 7.574 -8.617 2.207 1.00 0.00 H new ATOM 0 HG22 ILE A 100 6.364 -9.782 2.794 1.00 0.00 H new ATOM 0 HG23 ILE A 100 7.481 -10.242 1.487 1.00 0.00 H new ATOM 0 HD11 ILE A 100 8.230 -8.773 -1.699 1.00 0.00 H new ATOM 0 HD12 ILE A 100 8.495 -9.368 -0.043 1.00 0.00 H new ATOM 0 HD13 ILE A 100 7.350 -10.206 -1.116 1.00 0.00 H new ATOM 1541 N ARG A 101 3.504 -10.216 2.400 1.00 0.00 N ATOM 1542 CA ARG A 101 2.967 -10.832 3.608 1.00 0.00 C ATOM 1543 C ARG A 101 2.098 -12.038 3.263 1.00 0.00 C ATOM 1544 O ARG A 101 2.123 -13.052 3.960 1.00 0.00 O ATOM 1545 CB ARG A 101 2.150 -9.813 4.405 1.00 0.00 C ATOM 1546 CG ARG A 101 0.900 -9.336 3.684 1.00 0.00 C ATOM 1547 CD ARG A 101 -0.022 -8.568 4.618 1.00 0.00 C ATOM 1548 NE ARG A 101 0.373 -7.168 4.748 1.00 0.00 N ATOM 1549 CZ ARG A 101 0.066 -6.412 5.796 1.00 0.00 C ATOM 1550 NH1 ARG A 101 -0.637 -6.918 6.800 1.00 0.00 N ATOM 1551 NH2 ARG A 101 0.462 -5.146 5.842 1.00 0.00 N ATOM 0 H ARG A 101 3.069 -9.328 2.150 1.00 0.00 H new ATOM 0 HA ARG A 101 3.805 -11.172 4.216 1.00 0.00 H new ATOM 0 HB2 ARG A 101 1.862 -10.257 5.358 1.00 0.00 H new ATOM 0 HB3 ARG A 101 2.779 -8.952 4.631 1.00 0.00 H new ATOM 0 HG2 ARG A 101 1.183 -8.700 2.845 1.00 0.00 H new ATOM 0 HG3 ARG A 101 0.369 -10.192 3.269 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.044 -8.623 4.244 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -0.016 -9.039 5.601 1.00 0.00 H new ATOM 0 HE ARG A 101 0.914 -6.748 3.993 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -0.944 -7.890 6.769 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -0.871 -6.335 7.603 1.00 0.00 H new ATOM 0 HH21 ARG A 101 1.003 -4.752 5.072 1.00 0.00 H new ATOM 0 HH22 ARG A 101 0.225 -4.567 6.647 1.00 0.00 H new ATOM 1565 N GLU A 102 1.332 -11.920 2.184 1.00 0.00 N ATOM 1566 CA GLU A 102 0.455 -13.000 1.748 1.00 0.00 C ATOM 1567 C GLU A 102 1.267 -14.203 1.276 1.00 0.00 C ATOM 1568 O GLU A 102 0.767 -15.326 1.236 1.00 0.00 O ATOM 1569 CB GLU A 102 -0.465 -12.519 0.624 1.00 0.00 C ATOM 1570 CG GLU A 102 -1.746 -11.871 1.122 1.00 0.00 C ATOM 1571 CD GLU A 102 -2.852 -12.879 1.370 1.00 0.00 C ATOM 1572 OE1 GLU A 102 -3.549 -13.244 0.401 1.00 0.00 O ATOM 1573 OE2 GLU A 102 -3.020 -13.301 2.533 1.00 0.00 O ATOM 0 H GLU A 102 1.301 -11.087 1.595 1.00 0.00 H new ATOM 0 HA GLU A 102 -0.153 -13.305 2.599 1.00 0.00 H new ATOM 0 HB2 GLU A 102 0.076 -11.805 0.003 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.720 -13.366 -0.013 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -1.540 -11.329 2.045 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.086 -11.137 0.391 1.00 0.00 H new ATOM 1580 N GLY A 103 2.524 -13.957 0.918 1.00 0.00 N ATOM 1581 CA GLY A 103 3.385 -15.028 0.452 1.00 0.00 C ATOM 1582 C GLY A 103 3.342 -15.194 -1.054 1.00 0.00 C ATOM 1583 O GLY A 103 3.663 -16.261 -1.578 1.00 0.00 O ATOM 0 H GLY A 103 2.961 -13.036 0.942 1.00 0.00 H new ATOM 0 HA2 GLY A 103 4.410 -14.827 0.763 1.00 0.00 H new ATOM 0 HA3 GLY A 103 3.086 -15.963 0.926 1.00 0.00 H new ATOM 1587 N TYR A 104 2.942 -14.137 -1.752 1.00 0.00 N ATOM 1588 CA TYR A 104 2.853 -14.172 -3.207 1.00 0.00 C ATOM 1589 C TYR A 104 4.221 -13.941 -3.842 1.00 0.00 C ATOM 1590 O TYR A 104 4.514 -14.461 -4.919 1.00 0.00 O ATOM 1591 CB TYR A 104 1.864 -13.116 -3.704 1.00 0.00 C ATOM 1592 CG TYR A 104 0.417 -13.540 -3.589 1.00 0.00 C ATOM 1593 CD1 TYR A 104 -0.115 -14.499 -4.442 1.00 0.00 C ATOM 1594 CD2 TYR A 104 -0.417 -12.981 -2.629 1.00 0.00 C ATOM 1595 CE1 TYR A 104 -1.437 -14.889 -4.341 1.00 0.00 C ATOM 1596 CE2 TYR A 104 -1.739 -13.367 -2.520 1.00 0.00 C ATOM 1597 CZ TYR A 104 -2.244 -14.321 -3.379 1.00 0.00 C ATOM 1598 OH TYR A 104 -3.561 -14.706 -3.274 1.00 0.00 O ATOM 0 H TYR A 104 2.674 -13.246 -1.334 1.00 0.00 H new ATOM 0 HA TYR A 104 2.498 -15.160 -3.500 1.00 0.00 H new ATOM 0 HB2 TYR A 104 2.011 -12.197 -3.136 1.00 0.00 H new ATOM 0 HB3 TYR A 104 2.085 -12.886 -4.746 1.00 0.00 H new ATOM 0 HD1 TYR A 104 0.515 -14.947 -5.196 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -0.025 -12.232 -1.957 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -1.836 -15.635 -5.012 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -2.374 -12.924 -1.766 1.00 0.00 H new ATOM 0 HH TYR A 104 -3.990 -14.211 -2.545 1.00 0.00 H new ATOM 1608 N ILE A 105 5.056 -13.159 -3.166 1.00 0.00 N ATOM 1609 CA ILE A 105 6.393 -12.860 -3.661 1.00 0.00 C ATOM 1610 C ILE A 105 7.403 -12.807 -2.520 1.00 0.00 C ATOM 1611 O ILE A 105 7.051 -12.994 -1.355 1.00 0.00 O ATOM 1612 CB ILE A 105 6.426 -11.523 -4.424 1.00 0.00 C ATOM 1613 CG1 ILE A 105 5.714 -10.434 -3.618 1.00 0.00 C ATOM 1614 CG2 ILE A 105 5.785 -11.679 -5.795 1.00 0.00 C ATOM 1615 CD1 ILE A 105 5.645 -9.102 -4.332 1.00 0.00 C ATOM 0 H ILE A 105 4.829 -12.721 -2.273 1.00 0.00 H new ATOM 0 HA ILE A 105 6.663 -13.665 -4.345 1.00 0.00 H new ATOM 0 HB ILE A 105 7.466 -11.226 -4.563 1.00 0.00 H new ATOM 0 HG12 ILE A 105 4.702 -10.767 -3.388 1.00 0.00 H new ATOM 0 HG13 ILE A 105 6.230 -10.301 -2.667 1.00 0.00 H new ATOM 0 HG21 ILE A 105 5.816 -10.725 -6.322 1.00 0.00 H new ATOM 0 HG22 ILE A 105 6.331 -12.428 -6.369 1.00 0.00 H new ATOM 0 HG23 ILE A 105 4.748 -11.995 -5.678 1.00 0.00 H new ATOM 0 HD11 ILE A 105 5.127 -8.378 -3.703 1.00 0.00 H new ATOM 0 HD12 ILE A 105 6.655 -8.747 -4.538 1.00 0.00 H new ATOM 0 HD13 ILE A 105 5.103 -9.220 -5.270 1.00 0.00 H new ATOM 1627 N THR A 106 8.662 -12.547 -2.862 1.00 0.00 N ATOM 1628 CA THR A 106 9.723 -12.468 -1.867 1.00 0.00 C ATOM 1629 C THR A 106 10.411 -11.108 -1.903 1.00 0.00 C ATOM 1630 O THR A 106 10.273 -10.357 -2.869 1.00 0.00 O ATOM 1631 CB THR A 106 10.778 -13.570 -2.081 1.00 0.00 C ATOM 1632 OG1 THR A 106 10.152 -14.756 -2.583 1.00 0.00 O ATOM 1633 CG2 THR A 106 11.504 -13.884 -0.782 1.00 0.00 C ATOM 0 H THR A 106 8.971 -12.388 -3.821 1.00 0.00 H new ATOM 0 HA THR A 106 9.254 -12.609 -0.893 1.00 0.00 H new ATOM 0 HB THR A 106 11.507 -13.209 -2.807 1.00 0.00 H new ATOM 0 HG1 THR A 106 10.829 -15.451 -2.718 1.00 0.00 H new ATOM 0 HG21 THR A 106 12.244 -14.665 -0.958 1.00 0.00 H new ATOM 0 HG22 THR A 106 12.004 -12.986 -0.418 1.00 0.00 H new ATOM 0 HG23 THR A 106 10.786 -14.226 -0.037 1.00 0.00 H new ATOM 1641 N LYS A 107 11.153 -10.796 -0.846 1.00 0.00 N ATOM 1642 CA LYS A 107 11.864 -9.527 -0.758 1.00 0.00 C ATOM 1643 C LYS A 107 13.243 -9.630 -1.403 1.00 0.00 C ATOM 1644 O LYS A 107 14.018 -10.534 -1.093 1.00 0.00 O ATOM 1645 CB LYS A 107 12.005 -9.098 0.705 1.00 0.00 C ATOM 1646 CG LYS A 107 12.083 -7.593 0.893 1.00 0.00 C ATOM 1647 CD LYS A 107 10.703 -6.979 1.053 1.00 0.00 C ATOM 1648 CE LYS A 107 10.165 -7.175 2.462 1.00 0.00 C ATOM 1649 NZ LYS A 107 8.833 -6.534 2.641 1.00 0.00 N ATOM 0 H LYS A 107 11.277 -11.406 -0.038 1.00 0.00 H new ATOM 0 HA LYS A 107 11.285 -8.777 -1.297 1.00 0.00 H new ATOM 0 HB2 LYS A 107 11.157 -9.483 1.271 1.00 0.00 H new ATOM 0 HB3 LYS A 107 12.901 -9.555 1.124 1.00 0.00 H new ATOM 0 HG2 LYS A 107 12.687 -7.366 1.771 1.00 0.00 H new ATOM 0 HG3 LYS A 107 12.585 -7.144 0.036 1.00 0.00 H new ATOM 0 HD2 LYS A 107 10.749 -5.914 0.825 1.00 0.00 H new ATOM 0 HD3 LYS A 107 10.018 -7.430 0.335 1.00 0.00 H new ATOM 0 HE2 LYS A 107 10.087 -8.241 2.676 1.00 0.00 H new ATOM 0 HE3 LYS A 107 10.869 -6.756 3.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 8.331 -6.990 3.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 8.959 -5.523 2.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 8.276 -6.640 1.769 1.00 0.00 H new ATOM 1663 N ALA A 108 13.542 -8.697 -2.300 1.00 0.00 N ATOM 1664 CA ALA A 108 14.828 -8.681 -2.986 1.00 0.00 C ATOM 1665 C ALA A 108 15.885 -7.962 -2.154 1.00 0.00 C ATOM 1666 O ALA A 108 17.073 -8.000 -2.476 1.00 0.00 O ATOM 1667 CB ALA A 108 14.690 -8.023 -4.351 1.00 0.00 C ATOM 0 H ALA A 108 12.911 -7.942 -2.569 1.00 0.00 H new ATOM 0 HA ALA A 108 15.152 -9.713 -3.124 1.00 0.00 H new ATOM 0 HB1 ALA A 108 15.658 -8.018 -4.852 1.00 0.00 H new ATOM 0 HB2 ALA A 108 13.973 -8.581 -4.953 1.00 0.00 H new ATOM 0 HB3 ALA A 108 14.340 -6.998 -4.227 1.00 0.00 H new TER 1673 ALA A 108