USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 582 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 NoAdj-H: A 35 HIS HD1 : A 35 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -2.04! C(o=-2!,f=-2.8!) USER MOD Single : A 26 GLN : amide:sc= -0.118 K(o=-0.12,f=-2.1!) USER MOD Single : A 27 ASN : amide:sc= -0.577 K(o=-0.58,f=-1.5!) USER MOD Single : A 31 THR OG1 : rot 149:sc= 1 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HE2:sc= -6.3! C(o=-6.3!,f=-7.9!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Single : A 59 THR OG1 : rot -62:sc= 0.349 USER MOD Single : A 64 ASN : amide:sc= 0.621 K(o=0.62,f=-0.0092) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 161:sc= -3.35 (180deg=-4.42!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.862 K(o=-0.86,f=-2.7!) USER MOD Single : A 75 LYS NZ :NH3+ -157:sc= -0.0454 (180deg=-0.319) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.481 -33.745 26.662 1.00 0.00 N ATOM 2 CA GLY A 1 -1.996 -33.535 25.322 1.00 0.00 C ATOM 3 C GLY A 1 -1.360 -32.343 24.636 1.00 0.00 C ATOM 4 O GLY A 1 -1.798 -31.207 24.817 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.948 -34.571 27.088 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.455 -33.911 26.618 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.670 -32.903 27.243 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.821 -34.430 24.725 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.075 -33.390 25.370 1.00 0.00 H new ATOM 8 N SER A 2 -0.322 -32.600 23.847 1.00 0.00 N ATOM 9 CA SER A 2 0.380 -31.538 23.136 1.00 0.00 C ATOM 10 C SER A 2 0.166 -31.659 21.630 1.00 0.00 C ATOM 11 O SER A 2 0.994 -32.227 20.918 1.00 0.00 O ATOM 12 CB SER A 2 1.876 -31.583 23.455 1.00 0.00 C ATOM 13 OG SER A 2 2.144 -31.004 24.720 1.00 0.00 O ATOM 0 H SER A 2 0.052 -33.535 23.684 1.00 0.00 H new ATOM 0 HA SER A 2 -0.026 -30.583 23.468 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.223 -32.616 23.443 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.432 -31.051 22.683 1.00 0.00 H new ATOM 0 HG SER A 2 3.106 -31.046 24.902 1.00 0.00 H new ATOM 19 N SER A 3 -0.951 -31.121 21.152 1.00 0.00 N ATOM 20 CA SER A 3 -1.277 -31.171 19.732 1.00 0.00 C ATOM 21 C SER A 3 -2.174 -30.001 19.338 1.00 0.00 C ATOM 22 O SER A 3 -3.111 -29.654 20.056 1.00 0.00 O ATOM 23 CB SER A 3 -1.967 -32.494 19.392 1.00 0.00 C ATOM 24 OG SER A 3 -3.099 -32.705 20.217 1.00 0.00 O ATOM 0 H SER A 3 -1.646 -30.645 21.728 1.00 0.00 H new ATOM 0 HA SER A 3 -0.347 -31.099 19.169 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.271 -32.491 18.345 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.264 -33.317 19.517 1.00 0.00 H new ATOM 0 HG SER A 3 -3.523 -33.556 19.979 1.00 0.00 H new ATOM 30 N GLY A 4 -1.879 -29.397 18.191 1.00 0.00 N ATOM 31 CA GLY A 4 -2.667 -28.272 17.721 1.00 0.00 C ATOM 32 C GLY A 4 -2.320 -27.874 16.300 1.00 0.00 C ATOM 33 O GLY A 4 -1.250 -27.319 16.048 1.00 0.00 O ATOM 0 H GLY A 4 -1.109 -29.666 17.579 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.726 -28.526 17.776 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.509 -27.420 18.382 1.00 0.00 H new ATOM 37 N SER A 5 -3.224 -28.161 15.369 1.00 0.00 N ATOM 38 CA SER A 5 -3.005 -27.834 13.965 1.00 0.00 C ATOM 39 C SER A 5 -3.868 -26.649 13.542 1.00 0.00 C ATOM 40 O SER A 5 -4.847 -26.311 14.207 1.00 0.00 O ATOM 41 CB SER A 5 -3.314 -29.045 13.083 1.00 0.00 C ATOM 42 OG SER A 5 -2.362 -30.076 13.280 1.00 0.00 O ATOM 0 H SER A 5 -4.115 -28.619 15.562 1.00 0.00 H new ATOM 0 HA SER A 5 -1.957 -27.561 13.840 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.312 -29.419 13.310 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.317 -28.744 12.035 1.00 0.00 H new ATOM 0 HG SER A 5 -2.583 -30.839 12.706 1.00 0.00 H new ATOM 48 N SER A 6 -3.496 -26.021 12.431 1.00 0.00 N ATOM 49 CA SER A 6 -4.233 -24.871 11.920 1.00 0.00 C ATOM 50 C SER A 6 -4.263 -24.879 10.395 1.00 0.00 C ATOM 51 O SER A 6 -3.375 -25.432 9.748 1.00 0.00 O ATOM 52 CB SER A 6 -3.602 -23.570 12.422 1.00 0.00 C ATOM 53 OG SER A 6 -4.515 -22.491 12.327 1.00 0.00 O ATOM 0 H SER A 6 -2.689 -26.289 11.868 1.00 0.00 H new ATOM 0 HA SER A 6 -5.257 -24.935 12.287 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.285 -23.692 13.458 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.708 -23.347 11.839 1.00 0.00 H new ATOM 0 HG SER A 6 -4.089 -21.672 12.655 1.00 0.00 H new ATOM 59 N GLY A 7 -5.294 -24.262 9.826 1.00 0.00 N ATOM 60 CA GLY A 7 -5.423 -24.209 8.381 1.00 0.00 C ATOM 61 C GLY A 7 -6.428 -23.170 7.926 1.00 0.00 C ATOM 62 O GLY A 7 -7.010 -22.459 8.744 1.00 0.00 O ATOM 0 H GLY A 7 -6.043 -23.798 10.340 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.451 -23.987 7.941 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.725 -25.189 8.010 1.00 0.00 H new ATOM 66 N GLY A 8 -6.631 -23.079 6.615 1.00 0.00 N ATOM 67 CA GLY A 8 -7.572 -22.115 6.075 1.00 0.00 C ATOM 68 C GLY A 8 -7.940 -22.409 4.634 1.00 0.00 C ATOM 69 O GLY A 8 -7.749 -23.525 4.153 1.00 0.00 O ATOM 0 H GLY A 8 -6.161 -23.656 5.917 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -8.476 -22.113 6.684 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -7.142 -21.116 6.140 1.00 0.00 H new ATOM 73 N SER A 9 -8.471 -21.404 3.944 1.00 0.00 N ATOM 74 CA SER A 9 -8.872 -21.562 2.551 1.00 0.00 C ATOM 75 C SER A 9 -7.666 -21.456 1.623 1.00 0.00 C ATOM 76 O SER A 9 -7.421 -22.340 0.804 1.00 0.00 O ATOM 77 CB SER A 9 -9.913 -20.505 2.176 1.00 0.00 C ATOM 78 OG SER A 9 -11.160 -20.776 2.793 1.00 0.00 O ATOM 0 H SER A 9 -8.633 -20.473 4.327 1.00 0.00 H new ATOM 0 HA SER A 9 -9.311 -22.553 2.435 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.560 -19.519 2.479 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.037 -20.480 1.093 1.00 0.00 H new ATOM 0 HG SER A 9 -11.808 -20.086 2.539 1.00 0.00 H new ATOM 84 N GLU A 10 -6.917 -20.366 1.759 1.00 0.00 N ATOM 85 CA GLU A 10 -5.736 -20.143 0.932 1.00 0.00 C ATOM 86 C GLU A 10 -4.696 -19.315 1.680 1.00 0.00 C ATOM 87 O GLU A 10 -5.031 -18.338 2.350 1.00 0.00 O ATOM 88 CB GLU A 10 -6.124 -19.440 -0.370 1.00 0.00 C ATOM 89 CG GLU A 10 -6.656 -18.031 -0.166 1.00 0.00 C ATOM 90 CD GLU A 10 -7.777 -17.973 0.853 1.00 0.00 C ATOM 91 OE1 GLU A 10 -8.814 -18.632 0.631 1.00 0.00 O ATOM 92 OE2 GLU A 10 -7.617 -17.268 1.871 1.00 0.00 O ATOM 0 H GLU A 10 -7.107 -19.624 2.433 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.300 -21.114 0.696 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.253 -19.399 -1.024 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.881 -20.034 -0.882 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.842 -17.383 0.158 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.015 -17.641 -1.118 1.00 0.00 H new ATOM 99 N GLU A 11 -3.433 -19.713 1.561 1.00 0.00 N ATOM 100 CA GLU A 11 -2.345 -19.008 2.227 1.00 0.00 C ATOM 101 C GLU A 11 -2.391 -17.515 1.914 1.00 0.00 C ATOM 102 O GLU A 11 -1.994 -17.086 0.831 1.00 0.00 O ATOM 103 CB GLU A 11 -0.995 -19.589 1.801 1.00 0.00 C ATOM 104 CG GLU A 11 0.156 -19.180 2.705 1.00 0.00 C ATOM 105 CD GLU A 11 0.040 -19.766 4.098 1.00 0.00 C ATOM 106 OE1 GLU A 11 0.086 -21.008 4.225 1.00 0.00 O ATOM 107 OE2 GLU A 11 -0.098 -18.984 5.062 1.00 0.00 O ATOM 0 H GLU A 11 -3.139 -20.519 1.010 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.466 -19.139 3.302 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.065 -20.677 1.786 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.777 -19.270 0.782 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.097 -19.501 2.257 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.190 -18.093 2.774 1.00 0.00 H new ATOM 114 N GLU A 12 -2.878 -16.730 2.870 1.00 0.00 N ATOM 115 CA GLU A 12 -2.977 -15.286 2.694 1.00 0.00 C ATOM 116 C GLU A 12 -2.420 -14.551 3.910 1.00 0.00 C ATOM 117 O GLU A 12 -3.150 -14.251 4.854 1.00 0.00 O ATOM 118 CB GLU A 12 -4.433 -14.877 2.460 1.00 0.00 C ATOM 119 CG GLU A 12 -4.873 -14.996 1.011 1.00 0.00 C ATOM 120 CD GLU A 12 -4.301 -13.898 0.136 1.00 0.00 C ATOM 121 OE1 GLU A 12 -3.060 -13.828 0.007 1.00 0.00 O ATOM 122 OE2 GLU A 12 -5.092 -13.108 -0.421 1.00 0.00 O ATOM 0 H GLU A 12 -3.210 -17.069 3.773 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.385 -15.010 1.821 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.080 -15.498 3.080 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.570 -13.847 2.789 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.564 -15.965 0.620 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.961 -14.965 0.962 1.00 0.00 H new ATOM 129 N GLU A 13 -1.122 -14.265 3.878 1.00 0.00 N ATOM 130 CA GLU A 13 -0.467 -13.567 4.978 1.00 0.00 C ATOM 131 C GLU A 13 -0.679 -12.060 4.869 1.00 0.00 C ATOM 132 O GLU A 13 0.234 -11.274 5.124 1.00 0.00 O ATOM 133 CB GLU A 13 1.030 -13.883 4.992 1.00 0.00 C ATOM 134 CG GLU A 13 1.338 -15.370 5.041 1.00 0.00 C ATOM 135 CD GLU A 13 2.815 -15.654 5.240 1.00 0.00 C ATOM 136 OE1 GLU A 13 3.318 -15.424 6.360 1.00 0.00 O ATOM 137 OE2 GLU A 13 3.466 -16.106 4.276 1.00 0.00 O ATOM 0 H GLU A 13 -0.504 -14.506 3.103 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.913 -13.913 5.911 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.492 -13.454 4.103 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.487 -13.397 5.854 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.771 -15.828 5.852 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.004 -15.837 4.115 1.00 0.00 H new ATOM 144 N ILE A 14 -1.889 -11.665 4.487 1.00 0.00 N ATOM 145 CA ILE A 14 -2.221 -10.253 4.344 1.00 0.00 C ATOM 146 C ILE A 14 -2.885 -9.714 5.607 1.00 0.00 C ATOM 147 O ILE A 14 -3.780 -10.334 6.180 1.00 0.00 O ATOM 148 CB ILE A 14 -3.156 -10.013 3.144 1.00 0.00 C ATOM 149 CG1 ILE A 14 -2.503 -10.511 1.853 1.00 0.00 C ATOM 150 CG2 ILE A 14 -3.506 -8.536 3.032 1.00 0.00 C ATOM 151 CD1 ILE A 14 -3.437 -10.510 0.664 1.00 0.00 C ATOM 0 H ILE A 14 -2.655 -12.303 4.271 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.283 -9.724 4.175 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.077 -10.574 3.302 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.640 -9.885 1.627 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.130 -11.523 2.011 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.167 -8.382 2.179 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.008 -8.211 3.943 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.594 -7.955 2.893 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.907 -10.875 -0.216 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -4.288 -11.159 0.870 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.790 -9.495 0.480 1.00 0.00 H new ATOM 163 N PRO A 15 -2.437 -8.530 6.051 1.00 0.00 N ATOM 164 CA PRO A 15 -2.976 -7.879 7.250 1.00 0.00 C ATOM 165 C PRO A 15 -4.400 -7.375 7.045 1.00 0.00 C ATOM 166 O PRO A 15 -4.861 -7.228 5.913 1.00 0.00 O ATOM 167 CB PRO A 15 -2.020 -6.705 7.475 1.00 0.00 C ATOM 168 CG PRO A 15 -1.455 -6.412 6.128 1.00 0.00 C ATOM 169 CD PRO A 15 -1.372 -7.735 5.418 1.00 0.00 C ATOM 0 HA PRO A 15 -3.037 -8.565 8.095 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -2.544 -5.840 7.881 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -1.235 -6.964 8.186 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.090 -5.715 5.581 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -0.471 -5.950 6.209 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.535 -7.626 4.346 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -0.394 -8.199 5.546 1.00 0.00 H new ATOM 177 N PHE A 16 -5.093 -7.112 8.148 1.00 0.00 N ATOM 178 CA PHE A 16 -6.467 -6.624 8.089 1.00 0.00 C ATOM 179 C PHE A 16 -6.548 -5.171 8.549 1.00 0.00 C ATOM 180 O PHE A 16 -7.328 -4.383 8.016 1.00 0.00 O ATOM 181 CB PHE A 16 -7.378 -7.497 8.955 1.00 0.00 C ATOM 182 CG PHE A 16 -7.213 -8.968 8.704 1.00 0.00 C ATOM 183 CD1 PHE A 16 -7.635 -9.532 7.510 1.00 0.00 C ATOM 184 CD2 PHE A 16 -6.638 -9.788 9.661 1.00 0.00 C ATOM 185 CE1 PHE A 16 -7.486 -10.886 7.276 1.00 0.00 C ATOM 186 CE2 PHE A 16 -6.485 -11.143 9.432 1.00 0.00 C ATOM 187 CZ PHE A 16 -6.910 -11.692 8.238 1.00 0.00 C ATOM 0 H PHE A 16 -4.727 -7.228 9.093 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.802 -6.678 7.053 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -7.174 -7.291 10.006 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -8.416 -7.219 8.771 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -8.085 -8.906 6.754 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -6.305 -9.364 10.597 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -7.820 -11.313 6.342 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -6.034 -11.771 10.186 1.00 0.00 H new ATOM 0 HZ PHE A 16 -6.792 -12.750 8.057 1.00 0.00 H new ATOM 197 N ARG A 17 -5.737 -4.826 9.544 1.00 0.00 N ATOM 198 CA ARG A 17 -5.718 -3.469 10.077 1.00 0.00 C ATOM 199 C ARG A 17 -4.286 -2.959 10.214 1.00 0.00 C ATOM 200 O ARG A 17 -3.332 -3.736 10.172 1.00 0.00 O ATOM 201 CB ARG A 17 -6.419 -3.423 11.436 1.00 0.00 C ATOM 202 CG ARG A 17 -5.574 -3.966 12.576 1.00 0.00 C ATOM 203 CD ARG A 17 -6.043 -3.433 13.921 1.00 0.00 C ATOM 204 NE ARG A 17 -7.091 -4.266 14.505 1.00 0.00 N ATOM 205 CZ ARG A 17 -7.417 -4.242 15.793 1.00 0.00 C ATOM 206 NH1 ARG A 17 -6.780 -3.430 16.626 1.00 0.00 N ATOM 207 NH2 ARG A 17 -8.382 -5.030 16.249 1.00 0.00 N ATOM 0 H ARG A 17 -5.085 -5.467 9.997 1.00 0.00 H new ATOM 0 HA ARG A 17 -6.250 -2.823 9.379 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -6.695 -2.392 11.658 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.345 -3.995 11.377 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -5.621 -5.055 12.579 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.531 -3.693 12.419 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -5.197 -3.382 14.606 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -6.415 -2.416 13.798 1.00 0.00 H new ATOM 0 HE ARG A 17 -7.601 -4.901 13.891 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.038 -2.822 16.278 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -7.032 -3.413 17.614 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -8.874 -5.655 15.611 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.631 -5.011 17.238 1.00 0.00 H new ATOM 221 N CYS A 18 -4.144 -1.648 10.378 1.00 0.00 N ATOM 222 CA CYS A 18 -2.830 -1.033 10.520 1.00 0.00 C ATOM 223 C CYS A 18 -2.108 -1.570 11.752 1.00 0.00 C ATOM 224 O CYS A 18 -2.731 -2.128 12.656 1.00 0.00 O ATOM 225 CB CYS A 18 -2.964 0.488 10.617 1.00 0.00 C ATOM 226 SG CYS A 18 -1.384 1.359 10.872 1.00 0.00 S ATOM 0 H CYS A 18 -4.923 -0.991 10.416 1.00 0.00 H new ATOM 0 HA CYS A 18 -2.242 -1.284 9.638 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -3.428 0.860 9.704 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -3.637 0.731 11.439 1.00 0.00 H new ATOM 231 N PHE A 19 -0.790 -1.399 11.781 1.00 0.00 N ATOM 232 CA PHE A 19 0.017 -1.867 12.901 1.00 0.00 C ATOM 233 C PHE A 19 0.605 -0.692 13.677 1.00 0.00 C ATOM 234 O PHE A 19 0.854 -0.790 14.879 1.00 0.00 O ATOM 235 CB PHE A 19 1.142 -2.777 12.401 1.00 0.00 C ATOM 236 CG PHE A 19 1.664 -2.394 11.046 1.00 0.00 C ATOM 237 CD1 PHE A 19 0.988 -2.770 9.897 1.00 0.00 C ATOM 238 CD2 PHE A 19 2.833 -1.660 10.921 1.00 0.00 C ATOM 239 CE1 PHE A 19 1.465 -2.420 8.648 1.00 0.00 C ATOM 240 CE2 PHE A 19 3.315 -1.306 9.675 1.00 0.00 C ATOM 241 CZ PHE A 19 2.631 -1.688 8.537 1.00 0.00 C ATOM 0 H PHE A 19 -0.259 -0.940 11.041 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.630 -2.434 13.571 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.963 -2.754 13.118 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.779 -3.804 12.365 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.077 -3.344 9.978 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.373 -1.361 11.807 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.927 -2.718 7.760 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.226 -0.731 9.591 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.007 -1.415 7.562 1.00 0.00 H new ATOM 251 N ILE A 20 0.825 0.418 12.980 1.00 0.00 N ATOM 252 CA ILE A 20 1.382 1.612 13.603 1.00 0.00 C ATOM 253 C ILE A 20 0.399 2.226 14.593 1.00 0.00 C ATOM 254 O ILE A 20 0.796 2.761 15.629 1.00 0.00 O ATOM 255 CB ILE A 20 1.762 2.671 12.551 1.00 0.00 C ATOM 256 CG1 ILE A 20 2.856 2.133 11.626 1.00 0.00 C ATOM 257 CG2 ILE A 20 2.218 3.953 13.230 1.00 0.00 C ATOM 258 CD1 ILE A 20 3.048 2.958 10.373 1.00 0.00 C ATOM 0 H ILE A 20 0.626 0.515 11.984 1.00 0.00 H new ATOM 0 HA ILE A 20 2.281 1.300 14.134 1.00 0.00 H new ATOM 0 HB ILE A 20 0.881 2.896 11.949 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.797 2.095 12.174 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.610 1.109 11.343 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.483 4.691 12.473 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.411 4.343 13.850 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.087 3.745 13.854 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.839 2.518 9.765 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.119 2.975 9.803 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.325 3.976 10.647 1.00 0.00 H new ATOM 270 N CYS A 21 -0.887 2.144 14.270 1.00 0.00 N ATOM 271 CA CYS A 21 -1.930 2.689 15.131 1.00 0.00 C ATOM 272 C CYS A 21 -2.870 1.588 15.612 1.00 0.00 C ATOM 273 O CYS A 21 -3.650 1.787 16.543 1.00 0.00 O ATOM 274 CB CYS A 21 -2.724 3.764 14.386 1.00 0.00 C ATOM 275 SG CYS A 21 -3.395 3.216 12.784 1.00 0.00 S ATOM 0 H CYS A 21 -1.232 1.705 13.417 1.00 0.00 H new ATOM 0 HA CYS A 21 -1.451 3.138 16.001 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -3.547 4.096 15.018 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.080 4.628 14.222 1.00 0.00 H new ATOM 280 N ARG A 22 -2.788 0.426 14.971 1.00 0.00 N ATOM 281 CA ARG A 22 -3.632 -0.707 15.333 1.00 0.00 C ATOM 282 C ARG A 22 -5.102 -0.396 15.068 1.00 0.00 C ATOM 283 O ARG A 22 -5.981 -0.834 15.809 1.00 0.00 O ATOM 284 CB ARG A 22 -3.433 -1.068 16.806 1.00 0.00 C ATOM 285 CG ARG A 22 -1.994 -1.401 17.163 1.00 0.00 C ATOM 286 CD ARG A 22 -1.514 -2.647 16.436 1.00 0.00 C ATOM 287 NE ARG A 22 -0.226 -3.115 16.943 1.00 0.00 N ATOM 288 CZ ARG A 22 -0.098 -3.923 17.989 1.00 0.00 C ATOM 289 NH1 ARG A 22 -1.174 -4.352 18.635 1.00 0.00 N ATOM 290 NH2 ARG A 22 1.107 -4.305 18.390 1.00 0.00 N ATOM 0 H ARG A 22 -2.146 0.245 14.199 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.341 -1.557 14.715 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.768 -0.235 17.424 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.066 -1.921 17.051 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.351 -0.559 16.908 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.910 -1.551 18.239 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -2.256 -3.438 16.545 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.429 -2.435 15.370 1.00 0.00 H new ATOM 0 HE ARG A 22 0.621 -2.804 16.467 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.102 -4.061 18.329 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.073 -4.973 19.438 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.937 -3.978 17.895 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.204 -4.926 19.194 1.00 0.00 H new ATOM 304 N GLN A 23 -5.360 0.362 14.007 1.00 0.00 N ATOM 305 CA GLN A 23 -6.723 0.732 13.646 1.00 0.00 C ATOM 306 C GLN A 23 -7.051 0.282 12.226 1.00 0.00 C ATOM 307 O GLN A 23 -6.188 -0.226 11.511 1.00 0.00 O ATOM 308 CB GLN A 23 -6.914 2.245 13.772 1.00 0.00 C ATOM 309 CG GLN A 23 -5.942 2.902 14.738 1.00 0.00 C ATOM 310 CD GLN A 23 -6.404 2.816 16.179 1.00 0.00 C ATOM 311 OE1 GLN A 23 -7.500 2.332 16.464 1.00 0.00 O ATOM 312 NE2 GLN A 23 -5.569 3.286 17.098 1.00 0.00 N ATOM 0 H GLN A 23 -4.643 0.732 13.383 1.00 0.00 H new ATOM 0 HA GLN A 23 -7.403 0.229 14.333 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.800 2.701 12.788 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.933 2.448 14.101 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -4.966 2.427 14.644 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -5.814 3.949 14.463 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -4.670 3.679 16.817 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -5.826 3.254 18.085 1.00 0.00 H new ATOM 321 N ALA A 24 -8.304 0.473 11.825 1.00 0.00 N ATOM 322 CA ALA A 24 -8.745 0.088 10.490 1.00 0.00 C ATOM 323 C ALA A 24 -7.913 0.781 9.416 1.00 0.00 C ATOM 324 O ALA A 24 -7.759 2.002 9.428 1.00 0.00 O ATOM 325 CB ALA A 24 -10.220 0.411 10.308 1.00 0.00 C ATOM 0 H ALA A 24 -9.031 0.892 12.405 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.604 -0.988 10.384 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -10.536 0.118 9.307 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -10.806 -0.135 11.047 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -10.377 1.482 10.439 1.00 0.00 H new ATOM 331 N PHE A 25 -7.378 -0.006 8.489 1.00 0.00 N ATOM 332 CA PHE A 25 -6.561 0.532 7.408 1.00 0.00 C ATOM 333 C PHE A 25 -7.282 1.673 6.697 1.00 0.00 C ATOM 334 O PHE A 25 -8.283 1.459 6.015 1.00 0.00 O ATOM 335 CB PHE A 25 -6.214 -0.570 6.405 1.00 0.00 C ATOM 336 CG PHE A 25 -4.932 -1.287 6.721 1.00 0.00 C ATOM 337 CD1 PHE A 25 -3.784 -0.576 7.032 1.00 0.00 C ATOM 338 CD2 PHE A 25 -4.875 -2.671 6.706 1.00 0.00 C ATOM 339 CE1 PHE A 25 -2.603 -1.232 7.324 1.00 0.00 C ATOM 340 CE2 PHE A 25 -3.697 -3.333 6.997 1.00 0.00 C ATOM 341 CZ PHE A 25 -2.559 -2.613 7.305 1.00 0.00 C ATOM 0 H PHE A 25 -7.496 -1.019 8.465 1.00 0.00 H new ATOM 0 HA PHE A 25 -5.640 0.922 7.842 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.028 -1.294 6.377 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.141 -0.134 5.409 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.812 0.504 7.046 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.761 -3.239 6.464 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.716 -0.666 7.567 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -3.666 -4.412 6.984 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.637 -3.128 7.530 1.00 0.00 H new ATOM 351 N GLN A 26 -6.764 2.886 6.863 1.00 0.00 N ATOM 352 CA GLN A 26 -7.359 4.062 6.238 1.00 0.00 C ATOM 353 C GLN A 26 -6.464 4.599 5.126 1.00 0.00 C ATOM 354 O GLN A 26 -5.464 5.266 5.388 1.00 0.00 O ATOM 355 CB GLN A 26 -7.603 5.152 7.283 1.00 0.00 C ATOM 356 CG GLN A 26 -8.600 6.210 6.837 1.00 0.00 C ATOM 357 CD GLN A 26 -8.409 7.531 7.556 1.00 0.00 C ATOM 358 OE1 GLN A 26 -7.444 7.713 8.298 1.00 0.00 O ATOM 359 NE2 GLN A 26 -9.331 8.462 7.338 1.00 0.00 N ATOM 0 H GLN A 26 -5.935 3.080 7.424 1.00 0.00 H new ATOM 0 HA GLN A 26 -8.313 3.767 5.801 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -7.964 4.689 8.201 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.655 5.635 7.520 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.501 6.367 5.763 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.613 5.847 7.014 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.115 8.268 6.715 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -9.255 9.371 7.794 1.00 0.00 H new ATOM 368 N ASN A 27 -6.831 4.303 3.883 1.00 0.00 N ATOM 369 CA ASN A 27 -6.060 4.755 2.730 1.00 0.00 C ATOM 370 C ASN A 27 -4.643 4.192 2.768 1.00 0.00 C ATOM 371 O ASN A 27 -3.656 4.920 2.669 1.00 0.00 O ATOM 372 CB ASN A 27 -6.013 6.284 2.691 1.00 0.00 C ATOM 373 CG ASN A 27 -7.314 6.915 3.146 1.00 0.00 C ATOM 374 OD1 ASN A 27 -8.384 6.320 3.016 1.00 0.00 O ATOM 375 ND2 ASN A 27 -7.229 8.127 3.681 1.00 0.00 N ATOM 0 H ASN A 27 -7.657 3.752 3.648 1.00 0.00 H new ATOM 0 HA ASN A 27 -6.552 4.390 1.829 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.200 6.636 3.326 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -5.789 6.612 1.676 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -8.072 8.602 4.004 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -6.321 8.583 3.769 1.00 0.00 H new ATOM 382 N PRO A 28 -4.539 2.862 2.915 1.00 0.00 N ATOM 383 CA PRO A 28 -3.247 2.171 2.968 1.00 0.00 C ATOM 384 C PRO A 28 -2.531 2.177 1.622 1.00 0.00 C ATOM 385 O PRO A 28 -3.161 2.059 0.571 1.00 0.00 O ATOM 386 CB PRO A 28 -3.626 0.742 3.365 1.00 0.00 C ATOM 387 CG PRO A 28 -5.032 0.579 2.900 1.00 0.00 C ATOM 388 CD PRO A 28 -5.673 1.932 3.040 1.00 0.00 C ATOM 0 HA PRO A 28 -2.556 2.652 3.660 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -2.967 0.013 2.895 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.546 0.596 4.442 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.064 0.237 1.866 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.557 -0.166 3.498 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.421 2.104 2.266 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -6.177 2.040 4.000 1.00 0.00 H new ATOM 396 N VAL A 29 -1.209 2.316 1.661 1.00 0.00 N ATOM 397 CA VAL A 29 -0.406 2.336 0.444 1.00 0.00 C ATOM 398 C VAL A 29 0.625 1.213 0.447 1.00 0.00 C ATOM 399 O VAL A 29 1.246 0.929 1.471 1.00 0.00 O ATOM 400 CB VAL A 29 0.319 3.684 0.272 1.00 0.00 C ATOM 401 CG1 VAL A 29 -0.683 4.802 0.030 1.00 0.00 C ATOM 402 CG2 VAL A 29 1.181 3.983 1.489 1.00 0.00 C ATOM 0 H VAL A 29 -0.672 2.416 2.522 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.092 2.192 -0.390 1.00 0.00 H new ATOM 0 HB VAL A 29 0.971 3.619 -0.599 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.152 5.747 -0.089 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.254 4.590 -0.874 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.362 4.872 0.880 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.686 4.939 1.351 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.552 4.030 2.378 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.924 3.195 1.611 1.00 0.00 H new ATOM 412 N VAL A 30 0.803 0.577 -0.706 1.00 0.00 N ATOM 413 CA VAL A 30 1.761 -0.515 -0.837 1.00 0.00 C ATOM 414 C VAL A 30 3.146 0.010 -1.196 1.00 0.00 C ATOM 415 O VAL A 30 3.294 0.853 -2.081 1.00 0.00 O ATOM 416 CB VAL A 30 1.315 -1.527 -1.909 1.00 0.00 C ATOM 417 CG1 VAL A 30 1.442 -0.924 -3.300 1.00 0.00 C ATOM 418 CG2 VAL A 30 2.124 -2.810 -1.799 1.00 0.00 C ATOM 0 H VAL A 30 0.297 0.799 -1.563 1.00 0.00 H new ATOM 0 HA VAL A 30 1.804 -1.016 0.130 1.00 0.00 H new ATOM 0 HB VAL A 30 0.266 -1.770 -1.740 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.122 -1.654 -4.044 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.814 -0.036 -3.370 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.481 -0.650 -3.484 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.796 -3.514 -2.564 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.181 -2.587 -1.941 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.976 -3.250 -0.813 1.00 0.00 H new ATOM 428 N THR A 31 4.162 -0.494 -0.501 1.00 0.00 N ATOM 429 CA THR A 31 5.537 -0.076 -0.745 1.00 0.00 C ATOM 430 C THR A 31 6.339 -1.187 -1.413 1.00 0.00 C ATOM 431 O THR A 31 5.827 -2.282 -1.648 1.00 0.00 O ATOM 432 CB THR A 31 6.240 0.334 0.563 1.00 0.00 C ATOM 433 OG1 THR A 31 5.917 -0.594 1.604 1.00 0.00 O ATOM 434 CG2 THR A 31 5.827 1.738 0.981 1.00 0.00 C ATOM 0 H THR A 31 4.058 -1.192 0.235 1.00 0.00 H new ATOM 0 HA THR A 31 5.492 0.786 -1.410 1.00 0.00 H new ATOM 0 HB THR A 31 7.316 0.325 0.391 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.670 -0.660 2.228 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.336 2.006 1.907 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.100 2.446 0.199 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.749 1.769 1.137 1.00 0.00 H new ATOM 442 N LYS A 32 7.600 -0.899 -1.717 1.00 0.00 N ATOM 443 CA LYS A 32 8.475 -1.874 -2.356 1.00 0.00 C ATOM 444 C LYS A 32 8.685 -3.088 -1.458 1.00 0.00 C ATOM 445 O LYS A 32 8.941 -4.193 -1.939 1.00 0.00 O ATOM 446 CB LYS A 32 9.825 -1.236 -2.693 1.00 0.00 C ATOM 447 CG LYS A 32 9.824 -0.464 -4.001 1.00 0.00 C ATOM 448 CD LYS A 32 11.144 0.253 -4.227 1.00 0.00 C ATOM 449 CE LYS A 32 11.192 0.916 -5.595 1.00 0.00 C ATOM 450 NZ LYS A 32 11.694 -0.014 -6.644 1.00 0.00 N ATOM 0 H LYS A 32 8.039 0.003 -1.531 1.00 0.00 H new ATOM 0 HA LYS A 32 7.996 -2.204 -3.278 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.111 -0.564 -1.884 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.584 -2.017 -2.742 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.634 -1.148 -4.828 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.011 0.262 -3.995 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.288 1.006 -3.452 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.965 -0.458 -4.137 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.195 1.264 -5.865 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.835 1.795 -5.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.712 0.475 -7.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.655 -0.327 -6.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.066 -0.841 -6.704 1.00 0.00 H new ATOM 464 N CYS A 33 8.575 -2.877 -0.150 1.00 0.00 N ATOM 465 CA CYS A 33 8.752 -3.954 0.816 1.00 0.00 C ATOM 466 C CYS A 33 7.477 -4.782 0.947 1.00 0.00 C ATOM 467 O CYS A 33 7.340 -5.589 1.867 1.00 0.00 O ATOM 468 CB CYS A 33 9.145 -3.384 2.181 1.00 0.00 C ATOM 469 SG CYS A 33 8.109 -1.990 2.730 1.00 0.00 S ATOM 0 H CYS A 33 8.364 -1.969 0.265 1.00 0.00 H new ATOM 0 HA CYS A 33 9.551 -4.603 0.457 1.00 0.00 H new ATOM 0 HB2 CYS A 33 9.089 -4.179 2.925 1.00 0.00 H new ATOM 0 HB3 CYS A 33 10.184 -3.057 2.141 1.00 0.00 H new ATOM 474 N ARG A 34 6.546 -4.577 0.021 1.00 0.00 N ATOM 475 CA ARG A 34 5.282 -5.303 0.033 1.00 0.00 C ATOM 476 C ARG A 34 4.560 -5.114 1.363 1.00 0.00 C ATOM 477 O ARG A 34 4.075 -6.076 1.961 1.00 0.00 O ATOM 478 CB ARG A 34 5.523 -6.792 -0.223 1.00 0.00 C ATOM 479 CG ARG A 34 5.630 -7.147 -1.697 1.00 0.00 C ATOM 480 CD ARG A 34 4.276 -7.078 -2.386 1.00 0.00 C ATOM 481 NE ARG A 34 4.360 -7.452 -3.796 1.00 0.00 N ATOM 482 CZ ARG A 34 4.325 -8.708 -4.226 1.00 0.00 C ATOM 483 NH1 ARG A 34 4.208 -9.705 -3.361 1.00 0.00 N ATOM 484 NH2 ARG A 34 4.406 -8.968 -5.525 1.00 0.00 N ATOM 0 H ARG A 34 6.644 -3.914 -0.748 1.00 0.00 H new ATOM 0 HA ARG A 34 4.653 -4.902 -0.762 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.440 -7.095 0.283 1.00 0.00 H new ATOM 0 HB3 ARG A 34 4.709 -7.365 0.222 1.00 0.00 H new ATOM 0 HG2 ARG A 34 6.324 -6.465 -2.187 1.00 0.00 H new ATOM 0 HG3 ARG A 34 6.042 -8.151 -1.802 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.576 -7.740 -1.876 1.00 0.00 H new ATOM 0 HD3 ARG A 34 3.878 -6.067 -2.302 1.00 0.00 H new ATOM 0 HE ARG A 34 4.450 -6.708 -4.488 1.00 0.00 H new ATOM 0 HH11 ARG A 34 4.145 -9.509 -2.362 1.00 0.00 H new ATOM 0 HH12 ARG A 34 4.181 -10.669 -3.694 1.00 0.00 H new ATOM 0 HH21 ARG A 34 4.495 -8.203 -6.194 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.379 -9.933 -5.855 1.00 0.00 H new ATOM 498 N HIS A 35 4.491 -3.869 1.822 1.00 0.00 N ATOM 499 CA HIS A 35 3.827 -3.554 3.083 1.00 0.00 C ATOM 500 C HIS A 35 2.805 -2.437 2.894 1.00 0.00 C ATOM 501 O HIS A 35 2.868 -1.682 1.924 1.00 0.00 O ATOM 502 CB HIS A 35 4.856 -3.147 4.137 1.00 0.00 C ATOM 503 CG HIS A 35 5.628 -4.302 4.698 1.00 0.00 C ATOM 504 ND1 HIS A 35 6.769 -4.147 5.457 1.00 0.00 N ATOM 505 CD2 HIS A 35 5.415 -5.636 4.609 1.00 0.00 C ATOM 506 CE1 HIS A 35 7.226 -5.336 5.808 1.00 0.00 C ATOM 507 NE2 HIS A 35 6.422 -6.256 5.307 1.00 0.00 N ATOM 0 H HIS A 35 4.886 -3.061 1.340 1.00 0.00 H new ATOM 0 HA HIS A 35 3.304 -4.447 3.423 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.553 -2.434 3.696 1.00 0.00 H new ATOM 0 HB3 HIS A 35 4.346 -2.632 4.951 1.00 0.00 H new ATOM 0 HD2 HIS A 35 4.604 -6.122 4.086 1.00 0.00 H new ATOM 0 HE1 HIS A 35 8.107 -5.524 6.403 1.00 0.00 H new ATOM 0 HE2 HIS A 35 6.531 -7.264 5.420 1.00 0.00 H new ATOM 515 N TYR A 36 1.865 -2.338 3.827 1.00 0.00 N ATOM 516 CA TYR A 36 0.828 -1.316 3.762 1.00 0.00 C ATOM 517 C TYR A 36 0.831 -0.456 5.023 1.00 0.00 C ATOM 518 O TYR A 36 1.144 -0.933 6.113 1.00 0.00 O ATOM 519 CB TYR A 36 -0.545 -1.963 3.576 1.00 0.00 C ATOM 520 CG TYR A 36 -0.545 -3.112 2.593 1.00 0.00 C ATOM 521 CD1 TYR A 36 -0.569 -2.879 1.223 1.00 0.00 C ATOM 522 CD2 TYR A 36 -0.521 -4.429 3.033 1.00 0.00 C ATOM 523 CE1 TYR A 36 -0.570 -3.925 0.321 1.00 0.00 C ATOM 524 CE2 TYR A 36 -0.520 -5.482 2.138 1.00 0.00 C ATOM 525 CZ TYR A 36 -0.545 -5.224 0.783 1.00 0.00 C ATOM 526 OH TYR A 36 -0.545 -6.270 -0.112 1.00 0.00 O ATOM 0 H TYR A 36 1.800 -2.954 4.638 1.00 0.00 H new ATOM 0 HA TYR A 36 1.039 -0.675 2.906 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -0.902 -2.322 4.541 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.251 -1.205 3.236 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.587 -1.863 0.858 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -0.503 -4.634 4.093 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.590 -3.727 -0.740 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -0.500 -6.500 2.497 1.00 0.00 H new ATOM 0 HH TYR A 36 -0.525 -7.119 0.377 1.00 0.00 H new ATOM 536 N PHE A 37 0.479 0.816 4.864 1.00 0.00 N ATOM 537 CA PHE A 37 0.441 1.744 5.988 1.00 0.00 C ATOM 538 C PHE A 37 -0.534 2.887 5.717 1.00 0.00 C ATOM 539 O PHE A 37 -0.626 3.386 4.595 1.00 0.00 O ATOM 540 CB PHE A 37 1.838 2.305 6.261 1.00 0.00 C ATOM 541 CG PHE A 37 2.944 1.336 5.955 1.00 0.00 C ATOM 542 CD1 PHE A 37 3.211 0.959 4.649 1.00 0.00 C ATOM 543 CD2 PHE A 37 3.716 0.801 6.974 1.00 0.00 C ATOM 544 CE1 PHE A 37 4.227 0.067 4.364 1.00 0.00 C ATOM 545 CE2 PHE A 37 4.734 -0.091 6.695 1.00 0.00 C ATOM 546 CZ PHE A 37 4.990 -0.459 5.388 1.00 0.00 C ATOM 0 H PHE A 37 0.216 1.227 3.968 1.00 0.00 H new ATOM 0 HA PHE A 37 0.098 1.198 6.867 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.981 3.207 5.666 1.00 0.00 H new ATOM 0 HB3 PHE A 37 1.904 2.600 7.308 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.618 1.367 3.844 1.00 0.00 H new ATOM 0 HD2 PHE A 37 3.520 1.084 7.998 1.00 0.00 H new ATOM 0 HE1 PHE A 37 4.424 -0.219 3.341 1.00 0.00 H new ATOM 0 HE2 PHE A 37 5.329 -0.500 7.498 1.00 0.00 H new ATOM 0 HZ PHE A 37 5.785 -1.156 5.168 1.00 0.00 H new ATOM 556 N CYS A 38 -1.260 3.295 6.752 1.00 0.00 N ATOM 557 CA CYS A 38 -2.229 4.377 6.628 1.00 0.00 C ATOM 558 C CYS A 38 -1.599 5.598 5.964 1.00 0.00 C ATOM 559 O CYS A 38 -0.540 6.066 6.382 1.00 0.00 O ATOM 560 CB CYS A 38 -2.779 4.758 8.004 1.00 0.00 C ATOM 561 SG CYS A 38 -3.365 3.341 8.988 1.00 0.00 S ATOM 0 H CYS A 38 -1.196 2.892 7.687 1.00 0.00 H new ATOM 0 HA CYS A 38 -3.049 4.027 6.001 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -2.001 5.278 8.563 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.602 5.461 7.873 1.00 0.00 H new ATOM 566 N GLU A 39 -2.258 6.108 4.929 1.00 0.00 N ATOM 567 CA GLU A 39 -1.762 7.274 4.207 1.00 0.00 C ATOM 568 C GLU A 39 -1.171 8.300 5.171 1.00 0.00 C ATOM 569 O GLU A 39 -0.237 9.024 4.828 1.00 0.00 O ATOM 570 CB GLU A 39 -2.887 7.914 3.391 1.00 0.00 C ATOM 571 CG GLU A 39 -2.431 9.090 2.544 1.00 0.00 C ATOM 572 CD GLU A 39 -3.523 10.125 2.348 1.00 0.00 C ATOM 573 OE1 GLU A 39 -4.571 9.779 1.765 1.00 0.00 O ATOM 574 OE2 GLU A 39 -3.328 11.281 2.778 1.00 0.00 O ATOM 0 H GLU A 39 -3.136 5.733 4.571 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.976 6.942 3.529 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.328 7.158 2.741 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.672 8.248 4.070 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.569 9.561 3.017 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.101 8.726 1.571 1.00 0.00 H new ATOM 581 N SER A 40 -1.724 8.355 6.379 1.00 0.00 N ATOM 582 CA SER A 40 -1.256 9.294 7.392 1.00 0.00 C ATOM 583 C SER A 40 -0.032 8.744 8.117 1.00 0.00 C ATOM 584 O SER A 40 0.936 9.466 8.361 1.00 0.00 O ATOM 585 CB SER A 40 -2.370 9.588 8.398 1.00 0.00 C ATOM 586 OG SER A 40 -3.561 9.983 7.739 1.00 0.00 O ATOM 0 H SER A 40 -2.496 7.760 6.680 1.00 0.00 H new ATOM 0 HA SER A 40 -0.975 10.221 6.892 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.562 8.701 9.002 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.050 10.376 9.080 1.00 0.00 H new ATOM 0 HG SER A 40 -4.258 10.164 8.404 1.00 0.00 H new ATOM 592 N CYS A 41 -0.081 7.461 8.460 1.00 0.00 N ATOM 593 CA CYS A 41 1.022 6.813 9.159 1.00 0.00 C ATOM 594 C CYS A 41 2.280 6.799 8.295 1.00 0.00 C ATOM 595 O CYS A 41 3.378 7.077 8.775 1.00 0.00 O ATOM 596 CB CYS A 41 0.639 5.383 9.543 1.00 0.00 C ATOM 597 SG CYS A 41 -0.481 5.272 10.976 1.00 0.00 S ATOM 0 H CYS A 41 -0.874 6.849 8.265 1.00 0.00 H new ATOM 0 HA CYS A 41 1.230 7.383 10.065 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.165 4.903 8.687 1.00 0.00 H new ATOM 0 HB3 CYS A 41 1.547 4.821 9.761 1.00 0.00 H new ATOM 602 N ALA A 42 2.110 6.476 7.017 1.00 0.00 N ATOM 603 CA ALA A 42 3.230 6.428 6.086 1.00 0.00 C ATOM 604 C ALA A 42 3.907 7.790 5.972 1.00 0.00 C ATOM 605 O ALA A 42 5.135 7.888 5.994 1.00 0.00 O ATOM 606 CB ALA A 42 2.760 5.954 4.718 1.00 0.00 C ATOM 0 H ALA A 42 1.207 6.244 6.603 1.00 0.00 H new ATOM 0 HA ALA A 42 3.962 5.718 6.472 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.607 5.923 4.033 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.329 4.957 4.807 1.00 0.00 H new ATOM 0 HB3 ALA A 42 2.007 6.642 4.333 1.00 0.00 H new ATOM 612 N LEU A 43 3.100 8.838 5.849 1.00 0.00 N ATOM 613 CA LEU A 43 3.622 10.195 5.730 1.00 0.00 C ATOM 614 C LEU A 43 4.227 10.663 7.050 1.00 0.00 C ATOM 615 O LEU A 43 5.363 11.132 7.091 1.00 0.00 O ATOM 616 CB LEU A 43 2.511 11.153 5.297 1.00 0.00 C ATOM 617 CG LEU A 43 1.893 10.887 3.924 1.00 0.00 C ATOM 618 CD1 LEU A 43 0.657 11.749 3.719 1.00 0.00 C ATOM 619 CD2 LEU A 43 2.911 11.141 2.822 1.00 0.00 C ATOM 0 H LEU A 43 2.082 8.774 5.829 1.00 0.00 H new ATOM 0 HA LEU A 43 4.406 10.192 4.973 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.717 11.118 6.043 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.910 12.167 5.303 1.00 0.00 H new ATOM 0 HG LEU A 43 1.593 9.840 3.879 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.231 11.546 2.737 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.079 11.518 4.489 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.933 12.802 3.785 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.453 10.947 1.852 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.243 12.178 2.865 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.767 10.480 2.958 1.00 0.00 H new ATOM 631 N GLU A 44 3.459 10.530 8.127 1.00 0.00 N ATOM 632 CA GLU A 44 3.921 10.938 9.449 1.00 0.00 C ATOM 633 C GLU A 44 5.217 10.222 9.818 1.00 0.00 C ATOM 634 O GLU A 44 6.211 10.857 10.170 1.00 0.00 O ATOM 635 CB GLU A 44 2.848 10.648 10.501 1.00 0.00 C ATOM 636 CG GLU A 44 3.147 11.259 11.859 1.00 0.00 C ATOM 637 CD GLU A 44 3.156 12.775 11.828 1.00 0.00 C ATOM 638 OE1 GLU A 44 2.092 13.369 11.554 1.00 0.00 O ATOM 639 OE2 GLU A 44 4.227 13.368 12.077 1.00 0.00 O ATOM 0 H GLU A 44 2.515 10.143 8.110 1.00 0.00 H new ATOM 0 HA GLU A 44 4.114 12.011 9.423 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.890 11.027 10.145 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.743 9.569 10.613 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.402 10.919 12.578 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.115 10.901 12.209 1.00 0.00 H new ATOM 646 N HIS A 45 5.197 8.895 9.734 1.00 0.00 N ATOM 647 CA HIS A 45 6.370 8.092 10.059 1.00 0.00 C ATOM 648 C HIS A 45 7.556 8.480 9.181 1.00 0.00 C ATOM 649 O HIS A 45 8.675 8.641 9.667 1.00 0.00 O ATOM 650 CB HIS A 45 6.059 6.604 9.887 1.00 0.00 C ATOM 651 CG HIS A 45 7.026 5.705 10.594 1.00 0.00 C ATOM 652 ND1 HIS A 45 7.349 5.846 11.927 1.00 0.00 N ATOM 653 CD2 HIS A 45 7.740 4.646 10.145 1.00 0.00 C ATOM 654 CE1 HIS A 45 8.221 4.914 12.267 1.00 0.00 C ATOM 655 NE2 HIS A 45 8.475 4.172 11.204 1.00 0.00 N ATOM 0 H HIS A 45 4.382 8.354 9.444 1.00 0.00 H new ATOM 0 HA HIS A 45 6.633 8.284 11.099 1.00 0.00 H new ATOM 0 HB2 HIS A 45 5.053 6.406 10.258 1.00 0.00 H new ATOM 0 HB3 HIS A 45 6.060 6.361 8.824 1.00 0.00 H new ATOM 0 HD1 HIS A 45 6.973 6.559 12.553 1.00 0.00 H new ATOM 0 HD2 HIS A 45 7.733 4.248 9.141 1.00 0.00 H new ATOM 0 HE1 HIS A 45 8.653 4.781 13.248 1.00 0.00 H new ATOM 663 N PHE A 46 7.302 8.629 7.885 1.00 0.00 N ATOM 664 CA PHE A 46 8.348 8.998 6.938 1.00 0.00 C ATOM 665 C PHE A 46 9.098 10.239 7.412 1.00 0.00 C ATOM 666 O PHE A 46 10.323 10.313 7.314 1.00 0.00 O ATOM 667 CB PHE A 46 7.747 9.248 5.553 1.00 0.00 C ATOM 668 CG PHE A 46 8.699 9.911 4.598 1.00 0.00 C ATOM 669 CD1 PHE A 46 9.903 9.309 4.270 1.00 0.00 C ATOM 670 CD2 PHE A 46 8.389 11.136 4.029 1.00 0.00 C ATOM 671 CE1 PHE A 46 10.780 9.916 3.391 1.00 0.00 C ATOM 672 CE2 PHE A 46 9.262 11.747 3.150 1.00 0.00 C ATOM 673 CZ PHE A 46 10.460 11.137 2.831 1.00 0.00 C ATOM 0 H PHE A 46 6.381 8.500 7.466 1.00 0.00 H new ATOM 0 HA PHE A 46 9.055 8.171 6.875 1.00 0.00 H new ATOM 0 HB2 PHE A 46 7.423 8.298 5.129 1.00 0.00 H new ATOM 0 HB3 PHE A 46 6.858 9.870 5.658 1.00 0.00 H new ATOM 0 HD1 PHE A 46 10.159 8.355 4.706 1.00 0.00 H new ATOM 0 HD2 PHE A 46 7.455 11.618 4.276 1.00 0.00 H new ATOM 0 HE1 PHE A 46 11.715 9.436 3.142 1.00 0.00 H new ATOM 0 HE2 PHE A 46 9.008 12.701 2.712 1.00 0.00 H new ATOM 0 HZ PHE A 46 11.145 11.614 2.145 1.00 0.00 H new ATOM 683 N ARG A 47 8.353 11.213 7.925 1.00 0.00 N ATOM 684 CA ARG A 47 8.946 12.452 8.413 1.00 0.00 C ATOM 685 C ARG A 47 10.039 12.165 9.438 1.00 0.00 C ATOM 686 O ARG A 47 11.189 12.569 9.264 1.00 0.00 O ATOM 687 CB ARG A 47 7.872 13.347 9.034 1.00 0.00 C ATOM 688 CG ARG A 47 6.993 14.045 8.009 1.00 0.00 C ATOM 689 CD ARG A 47 5.940 14.914 8.678 1.00 0.00 C ATOM 690 NE ARG A 47 4.805 15.175 7.796 1.00 0.00 N ATOM 691 CZ ARG A 47 3.835 16.036 8.082 1.00 0.00 C ATOM 692 NH1 ARG A 47 3.862 16.716 9.220 1.00 0.00 N ATOM 693 NH2 ARG A 47 2.836 16.220 7.228 1.00 0.00 N ATOM 0 H ARG A 47 7.338 11.168 8.013 1.00 0.00 H new ATOM 0 HA ARG A 47 9.394 12.969 7.565 1.00 0.00 H new ATOM 0 HB2 ARG A 47 7.243 12.744 9.689 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.354 14.099 9.659 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.612 14.660 7.356 1.00 0.00 H new ATOM 0 HG3 ARG A 47 6.506 13.301 7.379 1.00 0.00 H new ATOM 0 HD2 ARG A 47 5.588 14.424 9.586 1.00 0.00 H new ATOM 0 HD3 ARG A 47 6.389 15.860 8.980 1.00 0.00 H new ATOM 0 HE ARG A 47 4.755 14.668 6.912 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.629 16.578 9.878 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.116 17.377 9.437 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.813 15.700 6.351 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.092 16.881 7.449 1.00 0.00 H new ATOM 707 N ALA A 48 9.672 11.466 10.507 1.00 0.00 N ATOM 708 CA ALA A 48 10.621 11.124 11.559 1.00 0.00 C ATOM 709 C ALA A 48 11.681 10.154 11.048 1.00 0.00 C ATOM 710 O ALA A 48 12.880 10.422 11.139 1.00 0.00 O ATOM 711 CB ALA A 48 9.892 10.530 12.755 1.00 0.00 C ATOM 0 H ALA A 48 8.724 11.125 10.667 1.00 0.00 H new ATOM 0 HA ALA A 48 11.124 12.039 11.872 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.613 10.279 13.533 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.178 11.256 13.143 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.362 9.628 12.447 1.00 0.00 H new ATOM 717 N THR A 49 11.233 9.024 10.511 1.00 0.00 N ATOM 718 CA THR A 49 12.142 8.013 9.987 1.00 0.00 C ATOM 719 C THR A 49 11.887 7.758 8.506 1.00 0.00 C ATOM 720 O THR A 49 10.788 7.386 8.095 1.00 0.00 O ATOM 721 CB THR A 49 12.008 6.684 10.755 1.00 0.00 C ATOM 722 OG1 THR A 49 12.938 5.725 10.241 1.00 0.00 O ATOM 723 CG2 THR A 49 10.593 6.136 10.645 1.00 0.00 C ATOM 0 H THR A 49 10.245 8.786 10.428 1.00 0.00 H new ATOM 0 HA THR A 49 13.153 8.400 10.118 1.00 0.00 H new ATOM 0 HB THR A 49 12.227 6.873 11.806 1.00 0.00 H new ATOM 0 HG1 THR A 49 12.847 4.884 10.736 1.00 0.00 H new ATOM 0 HG21 THR A 49 10.523 5.198 11.195 1.00 0.00 H new ATOM 0 HG22 THR A 49 9.890 6.856 11.064 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.351 5.961 9.597 1.00 0.00 H new ATOM 731 N PRO A 50 12.926 7.962 7.682 1.00 0.00 N ATOM 732 CA PRO A 50 12.839 7.759 6.233 1.00 0.00 C ATOM 733 C PRO A 50 12.707 6.286 5.861 1.00 0.00 C ATOM 734 O PRO A 50 12.550 5.944 4.689 1.00 0.00 O ATOM 735 CB PRO A 50 14.164 8.325 5.715 1.00 0.00 C ATOM 736 CG PRO A 50 15.101 8.209 6.867 1.00 0.00 C ATOM 737 CD PRO A 50 14.266 8.406 8.102 1.00 0.00 C ATOM 0 HA PRO A 50 11.959 8.240 5.806 1.00 0.00 H new ATOM 0 HB2 PRO A 50 14.525 7.763 4.853 1.00 0.00 H new ATOM 0 HB3 PRO A 50 14.054 9.362 5.397 1.00 0.00 H new ATOM 0 HG2 PRO A 50 15.588 7.234 6.877 1.00 0.00 H new ATOM 0 HG3 PRO A 50 15.890 8.959 6.806 1.00 0.00 H new ATOM 0 HD2 PRO A 50 14.641 7.816 8.939 1.00 0.00 H new ATOM 0 HD3 PRO A 50 14.262 9.448 8.423 1.00 0.00 H new ATOM 745 N ARG A 51 12.772 5.419 6.866 1.00 0.00 N ATOM 746 CA ARG A 51 12.660 3.982 6.643 1.00 0.00 C ATOM 747 C ARG A 51 11.266 3.482 7.011 1.00 0.00 C ATOM 748 O ARG A 51 10.409 4.256 7.436 1.00 0.00 O ATOM 749 CB ARG A 51 13.714 3.234 7.461 1.00 0.00 C ATOM 750 CG ARG A 51 15.143 3.592 7.086 1.00 0.00 C ATOM 751 CD ARG A 51 16.146 2.692 7.791 1.00 0.00 C ATOM 752 NE ARG A 51 16.599 3.263 9.057 1.00 0.00 N ATOM 753 CZ ARG A 51 17.472 2.668 9.861 1.00 0.00 C ATOM 754 NH1 ARG A 51 17.985 1.490 9.532 1.00 0.00 N ATOM 755 NH2 ARG A 51 17.835 3.250 10.996 1.00 0.00 N ATOM 0 H ARG A 51 12.902 5.686 7.842 1.00 0.00 H new ATOM 0 HA ARG A 51 12.828 3.790 5.583 1.00 0.00 H new ATOM 0 HB2 ARG A 51 13.560 3.448 8.519 1.00 0.00 H new ATOM 0 HB3 ARG A 51 13.570 2.162 7.329 1.00 0.00 H new ATOM 0 HG2 ARG A 51 15.270 3.505 6.007 1.00 0.00 H new ATOM 0 HG3 ARG A 51 15.339 4.632 7.347 1.00 0.00 H new ATOM 0 HD2 ARG A 51 15.693 1.718 7.974 1.00 0.00 H new ATOM 0 HD3 ARG A 51 17.005 2.527 7.140 1.00 0.00 H new ATOM 0 HE ARG A 51 16.224 4.169 9.339 1.00 0.00 H new ATOM 0 HH11 ARG A 51 17.709 1.039 8.660 1.00 0.00 H new ATOM 0 HH12 ARG A 51 18.656 1.035 10.151 1.00 0.00 H new ATOM 0 HH21 ARG A 51 17.443 4.156 11.252 1.00 0.00 H new ATOM 0 HH22 ARG A 51 18.506 2.791 11.613 1.00 0.00 H new ATOM 769 N CYS A 52 11.047 2.182 6.843 1.00 0.00 N ATOM 770 CA CYS A 52 9.758 1.577 7.156 1.00 0.00 C ATOM 771 C CYS A 52 9.576 1.432 8.664 1.00 0.00 C ATOM 772 O CYS A 52 10.520 1.615 9.434 1.00 0.00 O ATOM 773 CB CYS A 52 9.636 0.208 6.483 1.00 0.00 C ATOM 774 SG CYS A 52 7.935 -0.440 6.417 1.00 0.00 S ATOM 0 H CYS A 52 11.746 1.527 6.492 1.00 0.00 H new ATOM 0 HA CYS A 52 8.976 2.233 6.775 1.00 0.00 H new ATOM 0 HB2 CYS A 52 10.026 0.278 5.468 1.00 0.00 H new ATOM 0 HB3 CYS A 52 10.264 -0.505 7.017 1.00 0.00 H new ATOM 779 N TYR A 53 8.358 1.103 9.079 1.00 0.00 N ATOM 780 CA TYR A 53 8.052 0.936 10.494 1.00 0.00 C ATOM 781 C TYR A 53 8.082 -0.537 10.888 1.00 0.00 C ATOM 782 O TYR A 53 8.137 -0.874 12.071 1.00 0.00 O ATOM 783 CB TYR A 53 6.680 1.533 10.815 1.00 0.00 C ATOM 784 CG TYR A 53 6.165 1.163 12.187 1.00 0.00 C ATOM 785 CD1 TYR A 53 5.446 -0.009 12.389 1.00 0.00 C ATOM 786 CD2 TYR A 53 6.397 1.986 13.283 1.00 0.00 C ATOM 787 CE1 TYR A 53 4.973 -0.350 13.642 1.00 0.00 C ATOM 788 CE2 TYR A 53 5.929 1.652 14.539 1.00 0.00 C ATOM 789 CZ TYR A 53 5.217 0.484 14.713 1.00 0.00 C ATOM 790 OH TYR A 53 4.749 0.147 15.963 1.00 0.00 O ATOM 0 H TYR A 53 7.566 0.947 8.455 1.00 0.00 H new ATOM 0 HA TYR A 53 8.814 1.463 11.068 1.00 0.00 H new ATOM 0 HB2 TYR A 53 6.739 2.619 10.739 1.00 0.00 H new ATOM 0 HB3 TYR A 53 5.963 1.199 10.065 1.00 0.00 H new ATOM 0 HD1 TYR A 53 5.254 -0.665 11.553 1.00 0.00 H new ATOM 0 HD2 TYR A 53 6.953 2.902 13.150 1.00 0.00 H new ATOM 0 HE1 TYR A 53 4.415 -1.264 13.782 1.00 0.00 H new ATOM 0 HE2 TYR A 53 6.120 2.302 15.380 1.00 0.00 H new ATOM 0 HH TYR A 53 5.007 0.840 16.607 1.00 0.00 H new ATOM 800 N ILE A 54 8.048 -1.411 9.888 1.00 0.00 N ATOM 801 CA ILE A 54 8.074 -2.849 10.128 1.00 0.00 C ATOM 802 C ILE A 54 9.403 -3.455 9.691 1.00 0.00 C ATOM 803 O ILE A 54 10.085 -4.114 10.476 1.00 0.00 O ATOM 804 CB ILE A 54 6.928 -3.564 9.388 1.00 0.00 C ATOM 805 CG1 ILE A 54 5.590 -3.271 10.071 1.00 0.00 C ATOM 806 CG2 ILE A 54 7.185 -5.062 9.336 1.00 0.00 C ATOM 807 CD1 ILE A 54 4.397 -3.825 9.324 1.00 0.00 C ATOM 0 H ILE A 54 8.002 -1.149 8.903 1.00 0.00 H new ATOM 0 HA ILE A 54 7.948 -2.992 11.201 1.00 0.00 H new ATOM 0 HB ILE A 54 6.884 -3.187 8.366 1.00 0.00 H new ATOM 0 HG12 ILE A 54 5.605 -3.690 11.077 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.474 -2.192 10.177 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.367 -5.554 8.810 1.00 0.00 H new ATOM 0 HG22 ILE A 54 8.121 -5.253 8.810 1.00 0.00 H new ATOM 0 HG23 ILE A 54 7.252 -5.455 10.350 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.483 -3.580 9.865 1.00 0.00 H new ATOM 0 HD12 ILE A 54 4.357 -3.387 8.327 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.490 -4.908 9.241 1.00 0.00 H new ATOM 819 N CYS A 55 9.766 -3.227 8.433 1.00 0.00 N ATOM 820 CA CYS A 55 11.014 -3.750 7.890 1.00 0.00 C ATOM 821 C CYS A 55 12.135 -2.723 8.020 1.00 0.00 C ATOM 822 O CYS A 55 13.301 -3.026 7.765 1.00 0.00 O ATOM 823 CB CYS A 55 10.832 -4.139 6.422 1.00 0.00 C ATOM 824 SG CYS A 55 10.438 -2.740 5.325 1.00 0.00 S ATOM 0 H CYS A 55 9.213 -2.683 7.770 1.00 0.00 H new ATOM 0 HA CYS A 55 11.288 -4.636 8.462 1.00 0.00 H new ATOM 0 HB2 CYS A 55 11.745 -4.618 6.068 1.00 0.00 H new ATOM 0 HB3 CYS A 55 10.035 -4.879 6.350 1.00 0.00 H new ATOM 829 N ASP A 56 11.774 -1.508 8.419 1.00 0.00 N ATOM 830 CA ASP A 56 12.750 -0.437 8.585 1.00 0.00 C ATOM 831 C ASP A 56 13.706 -0.384 7.397 1.00 0.00 C ATOM 832 O ASP A 56 14.923 -0.351 7.570 1.00 0.00 O ATOM 833 CB ASP A 56 13.538 -0.631 9.881 1.00 0.00 C ATOM 834 CG ASP A 56 12.681 -0.427 11.115 1.00 0.00 C ATOM 835 OD1 ASP A 56 12.323 0.734 11.404 1.00 0.00 O ATOM 836 OD2 ASP A 56 12.368 -1.428 11.792 1.00 0.00 O ATOM 0 H ASP A 56 10.813 -1.240 8.633 1.00 0.00 H new ATOM 0 HA ASP A 56 12.209 0.508 8.636 1.00 0.00 H new ATOM 0 HB2 ASP A 56 13.962 -1.635 9.898 1.00 0.00 H new ATOM 0 HB3 ASP A 56 14.374 0.068 9.903 1.00 0.00 H new ATOM 841 N GLN A 57 13.144 -0.376 6.192 1.00 0.00 N ATOM 842 CA GLN A 57 13.948 -0.328 4.976 1.00 0.00 C ATOM 843 C GLN A 57 13.909 1.063 4.352 1.00 0.00 C ATOM 844 O GLN A 57 12.994 1.852 4.591 1.00 0.00 O ATOM 845 CB GLN A 57 13.449 -1.366 3.970 1.00 0.00 C ATOM 846 CG GLN A 57 13.937 -2.777 4.258 1.00 0.00 C ATOM 847 CD GLN A 57 14.112 -3.603 2.999 1.00 0.00 C ATOM 848 OE1 GLN A 57 13.315 -3.304 1.979 1.00 0.00 O flip ATOM 849 NE2 GLN A 57 14.954 -4.499 2.942 1.00 0.00 N flip ATOM 0 H GLN A 57 12.137 -0.402 6.032 1.00 0.00 H new ATOM 0 HA GLN A 57 14.980 -0.557 5.243 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.359 -1.361 3.966 1.00 0.00 H new ATOM 0 HB3 GLN A 57 13.772 -1.076 2.970 1.00 0.00 H new ATOM 0 HG2 GLN A 57 14.887 -2.727 4.790 1.00 0.00 H new ATOM 0 HG3 GLN A 57 13.227 -3.275 4.919 1.00 0.00 H new ATOM 0 HE21 GLN A 57 15.546 -4.695 3.749 1.00 0.00 H new ATOM 0 HE22 GLN A 57 15.060 -5.045 2.087 1.00 0.00 H new ATOM 858 N PRO A 58 14.924 1.372 3.532 1.00 0.00 N ATOM 859 CA PRO A 58 15.028 2.669 2.856 1.00 0.00 C ATOM 860 C PRO A 58 13.970 2.844 1.772 1.00 0.00 C ATOM 861 O PRO A 58 14.222 2.584 0.595 1.00 0.00 O ATOM 862 CB PRO A 58 16.427 2.635 2.237 1.00 0.00 C ATOM 863 CG PRO A 58 16.728 1.186 2.061 1.00 0.00 C ATOM 864 CD PRO A 58 16.048 0.481 3.201 1.00 0.00 C ATOM 0 HA PRO A 58 14.871 3.501 3.543 1.00 0.00 H new ATOM 0 HB2 PRO A 58 16.451 3.163 1.284 1.00 0.00 H new ATOM 0 HB3 PRO A 58 17.159 3.115 2.886 1.00 0.00 H new ATOM 0 HG2 PRO A 58 16.358 0.824 1.102 1.00 0.00 H new ATOM 0 HG3 PRO A 58 17.803 1.006 2.076 1.00 0.00 H new ATOM 0 HD2 PRO A 58 15.702 -0.511 2.911 1.00 0.00 H new ATOM 0 HD3 PRO A 58 16.719 0.349 4.049 1.00 0.00 H new ATOM 872 N THR A 59 12.784 3.289 2.175 1.00 0.00 N ATOM 873 CA THR A 59 11.687 3.498 1.239 1.00 0.00 C ATOM 874 C THR A 59 12.033 4.578 0.220 1.00 0.00 C ATOM 875 O THR A 59 11.675 4.476 -0.953 1.00 0.00 O ATOM 876 CB THR A 59 10.391 3.896 1.971 1.00 0.00 C ATOM 877 OG1 THR A 59 10.596 5.106 2.707 1.00 0.00 O ATOM 878 CG2 THR A 59 9.943 2.791 2.916 1.00 0.00 C ATOM 0 H THR A 59 12.559 3.512 3.145 1.00 0.00 H new ATOM 0 HA THR A 59 11.528 2.551 0.723 1.00 0.00 H new ATOM 0 HB THR A 59 9.612 4.053 1.225 1.00 0.00 H new ATOM 0 HG1 THR A 59 11.291 4.964 3.383 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.026 3.094 3.422 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.760 1.879 2.348 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.722 2.607 3.656 1.00 0.00 H new ATOM 886 N GLY A 60 12.733 5.613 0.675 1.00 0.00 N ATOM 887 CA GLY A 60 13.116 6.696 -0.211 1.00 0.00 C ATOM 888 C GLY A 60 11.937 7.556 -0.620 1.00 0.00 C ATOM 889 O GLY A 60 11.870 8.033 -1.752 1.00 0.00 O ATOM 0 H GLY A 60 13.041 5.720 1.641 1.00 0.00 H new ATOM 0 HA2 GLY A 60 13.862 7.319 0.283 1.00 0.00 H new ATOM 0 HA3 GLY A 60 13.587 6.282 -1.103 1.00 0.00 H new ATOM 893 N GLY A 61 11.001 7.753 0.304 1.00 0.00 N ATOM 894 CA GLY A 61 9.830 8.559 0.014 1.00 0.00 C ATOM 895 C GLY A 61 8.992 7.981 -1.109 1.00 0.00 C ATOM 896 O GLY A 61 8.441 8.721 -1.925 1.00 0.00 O ATOM 0 H GLY A 61 11.033 7.369 1.248 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.219 8.643 0.913 1.00 0.00 H new ATOM 0 HA3 GLY A 61 10.144 9.568 -0.254 1.00 0.00 H new ATOM 900 N ILE A 62 8.897 6.657 -1.153 1.00 0.00 N ATOM 901 CA ILE A 62 8.121 5.981 -2.185 1.00 0.00 C ATOM 902 C ILE A 62 6.887 5.307 -1.593 1.00 0.00 C ATOM 903 O ILE A 62 6.958 4.674 -0.539 1.00 0.00 O ATOM 904 CB ILE A 62 8.965 4.925 -2.923 1.00 0.00 C ATOM 905 CG1 ILE A 62 10.162 5.585 -3.610 1.00 0.00 C ATOM 906 CG2 ILE A 62 8.110 4.179 -3.937 1.00 0.00 C ATOM 907 CD1 ILE A 62 11.177 4.596 -4.138 1.00 0.00 C ATOM 0 H ILE A 62 9.348 6.031 -0.486 1.00 0.00 H new ATOM 0 HA ILE A 62 7.808 6.746 -2.896 1.00 0.00 H new ATOM 0 HB ILE A 62 9.340 4.207 -2.194 1.00 0.00 H new ATOM 0 HG12 ILE A 62 9.803 6.200 -4.435 1.00 0.00 H new ATOM 0 HG13 ILE A 62 10.653 6.254 -2.903 1.00 0.00 H new ATOM 0 HG21 ILE A 62 8.720 3.436 -4.451 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.288 3.681 -3.423 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.709 4.885 -4.664 1.00 0.00 H new ATOM 0 HD11 ILE A 62 11.997 5.135 -4.612 1.00 0.00 H new ATOM 0 HD12 ILE A 62 11.564 3.997 -3.314 1.00 0.00 H new ATOM 0 HD13 ILE A 62 10.702 3.942 -4.869 1.00 0.00 H new ATOM 919 N PHE A 63 5.758 5.446 -2.278 1.00 0.00 N ATOM 920 CA PHE A 63 4.508 4.850 -1.821 1.00 0.00 C ATOM 921 C PHE A 63 3.543 4.649 -2.986 1.00 0.00 C ATOM 922 O PHE A 63 3.281 5.572 -3.756 1.00 0.00 O ATOM 923 CB PHE A 63 3.858 5.732 -0.753 1.00 0.00 C ATOM 924 CG PHE A 63 4.703 5.904 0.477 1.00 0.00 C ATOM 925 CD1 PHE A 63 4.784 4.896 1.424 1.00 0.00 C ATOM 926 CD2 PHE A 63 5.416 7.074 0.686 1.00 0.00 C ATOM 927 CE1 PHE A 63 5.559 5.052 2.557 1.00 0.00 C ATOM 928 CE2 PHE A 63 6.193 7.236 1.817 1.00 0.00 C ATOM 929 CZ PHE A 63 6.266 6.223 2.754 1.00 0.00 C ATOM 0 H PHE A 63 5.682 5.966 -3.152 1.00 0.00 H new ATOM 0 HA PHE A 63 4.736 3.876 -1.389 1.00 0.00 H new ATOM 0 HB2 PHE A 63 3.649 6.713 -1.181 1.00 0.00 H new ATOM 0 HB3 PHE A 63 2.900 5.298 -0.468 1.00 0.00 H new ATOM 0 HD1 PHE A 63 4.235 3.978 1.275 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.364 7.868 -0.044 1.00 0.00 H new ATOM 0 HE1 PHE A 63 5.612 4.259 3.288 1.00 0.00 H new ATOM 0 HE2 PHE A 63 6.743 8.153 1.969 1.00 0.00 H new ATOM 0 HZ PHE A 63 6.874 6.346 3.638 1.00 0.00 H new ATOM 939 N ASN A 64 3.018 3.434 -3.108 1.00 0.00 N ATOM 940 CA ASN A 64 2.083 3.110 -4.180 1.00 0.00 C ATOM 941 C ASN A 64 0.688 2.843 -3.622 1.00 0.00 C ATOM 942 O ASN A 64 0.522 2.308 -2.526 1.00 0.00 O ATOM 943 CB ASN A 64 2.574 1.889 -4.961 1.00 0.00 C ATOM 944 CG ASN A 64 4.052 1.969 -5.289 1.00 0.00 C ATOM 945 OD1 ASN A 64 4.435 2.369 -6.389 1.00 0.00 O ATOM 946 ND2 ASN A 64 4.892 1.588 -4.333 1.00 0.00 N ATOM 0 H ASN A 64 3.224 2.658 -2.479 1.00 0.00 H new ATOM 0 HA ASN A 64 2.029 3.966 -4.853 1.00 0.00 H new ATOM 0 HB2 ASN A 64 2.382 0.988 -4.379 1.00 0.00 H new ATOM 0 HB3 ASN A 64 2.004 1.799 -5.886 1.00 0.00 H new ATOM 0 HD21 ASN A 64 5.898 1.620 -4.496 1.00 0.00 H new ATOM 0 HD22 ASN A 64 4.531 1.263 -3.436 1.00 0.00 H new ATOM 953 N PRO A 65 -0.340 3.225 -4.394 1.00 0.00 N ATOM 954 CA PRO A 65 -1.739 3.036 -3.999 1.00 0.00 C ATOM 955 C PRO A 65 -2.151 1.568 -4.006 1.00 0.00 C ATOM 956 O PRO A 65 -2.267 0.951 -5.065 1.00 0.00 O ATOM 957 CB PRO A 65 -2.517 3.815 -5.063 1.00 0.00 C ATOM 958 CG PRO A 65 -1.620 3.829 -6.252 1.00 0.00 C ATOM 959 CD PRO A 65 -0.217 3.869 -5.712 1.00 0.00 C ATOM 0 HA PRO A 65 -1.924 3.378 -2.981 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -3.468 3.333 -5.290 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -2.744 4.826 -4.726 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -1.776 2.944 -6.869 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.821 4.696 -6.882 1.00 0.00 H new ATOM 0 HD2 PRO A 65 0.478 3.332 -6.358 1.00 0.00 H new ATOM 0 HD3 PRO A 65 0.152 4.891 -5.627 1.00 0.00 H new ATOM 967 N ALA A 66 -2.371 1.013 -2.819 1.00 0.00 N ATOM 968 CA ALA A 66 -2.772 -0.382 -2.689 1.00 0.00 C ATOM 969 C ALA A 66 -4.289 -0.524 -2.745 1.00 0.00 C ATOM 970 O ALA A 66 -4.871 -1.356 -2.049 1.00 0.00 O ATOM 971 CB ALA A 66 -2.232 -0.968 -1.393 1.00 0.00 C ATOM 0 H ALA A 66 -2.278 1.509 -1.933 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.350 -0.936 -3.528 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.539 -2.010 -1.309 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.144 -0.909 -1.393 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.626 -0.405 -0.547 1.00 0.00 H new ATOM 977 N LYS A 67 -4.925 0.293 -3.577 1.00 0.00 N ATOM 978 CA LYS A 67 -6.375 0.259 -3.725 1.00 0.00 C ATOM 979 C LYS A 67 -6.858 -1.156 -4.030 1.00 0.00 C ATOM 980 O LYS A 67 -7.904 -1.582 -3.544 1.00 0.00 O ATOM 981 CB LYS A 67 -6.818 1.211 -4.838 1.00 0.00 C ATOM 982 CG LYS A 67 -6.395 2.652 -4.609 1.00 0.00 C ATOM 983 CD LYS A 67 -7.474 3.442 -3.888 1.00 0.00 C ATOM 984 CE LYS A 67 -7.259 3.433 -2.382 1.00 0.00 C ATOM 985 NZ LYS A 67 -8.221 4.326 -1.679 1.00 0.00 N ATOM 0 H LYS A 67 -4.458 0.988 -4.160 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.818 0.581 -2.783 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.405 0.866 -5.786 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.903 1.170 -4.930 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.475 2.674 -4.025 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.175 3.124 -5.567 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.477 4.470 -4.250 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.452 3.020 -4.120 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.367 2.416 -2.006 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.240 3.749 -2.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.042 4.292 -0.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.101 5.301 -2.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.193 4.009 -1.871 1.00 0.00 H new ATOM 999 N GLU A 68 -6.087 -1.878 -4.837 1.00 0.00 N ATOM 1000 CA GLU A 68 -6.437 -3.245 -5.206 1.00 0.00 C ATOM 1001 C GLU A 68 -6.527 -4.135 -3.970 1.00 0.00 C ATOM 1002 O GLU A 68 -7.403 -4.995 -3.873 1.00 0.00 O ATOM 1003 CB GLU A 68 -5.406 -3.813 -6.184 1.00 0.00 C ATOM 1004 CG GLU A 68 -5.650 -3.409 -7.628 1.00 0.00 C ATOM 1005 CD GLU A 68 -4.807 -4.203 -8.606 1.00 0.00 C ATOM 1006 OE1 GLU A 68 -3.587 -3.949 -8.681 1.00 0.00 O ATOM 1007 OE2 GLU A 68 -5.367 -5.080 -9.297 1.00 0.00 O ATOM 0 H GLU A 68 -5.217 -1.540 -5.247 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.413 -3.225 -5.690 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.412 -3.480 -5.885 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.412 -4.901 -6.114 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -6.704 -3.548 -7.867 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.433 -2.347 -7.746 1.00 0.00 H new ATOM 1014 N LEU A 69 -5.614 -3.924 -3.028 1.00 0.00 N ATOM 1015 CA LEU A 69 -5.589 -4.707 -1.798 1.00 0.00 C ATOM 1016 C LEU A 69 -6.889 -4.538 -1.018 1.00 0.00 C ATOM 1017 O LEU A 69 -7.479 -5.515 -0.558 1.00 0.00 O ATOM 1018 CB LEU A 69 -4.401 -4.289 -0.929 1.00 0.00 C ATOM 1019 CG LEU A 69 -4.454 -4.729 0.535 1.00 0.00 C ATOM 1020 CD1 LEU A 69 -4.120 -6.207 0.661 1.00 0.00 C ATOM 1021 CD2 LEU A 69 -3.502 -3.892 1.378 1.00 0.00 C ATOM 0 H LEU A 69 -4.881 -3.217 -3.093 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.483 -5.758 -2.067 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.491 -4.690 -1.375 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.319 -3.202 -0.959 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.468 -4.574 0.904 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.163 -6.502 1.710 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.840 -6.793 0.090 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.117 -6.388 0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.553 -4.219 2.417 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.484 -4.015 1.008 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.787 -2.842 1.314 1.00 0.00 H new ATOM 1033 N MET A 70 -7.330 -3.293 -0.875 1.00 0.00 N ATOM 1034 CA MET A 70 -8.562 -2.997 -0.154 1.00 0.00 C ATOM 1035 C MET A 70 -9.763 -3.634 -0.846 1.00 0.00 C ATOM 1036 O MET A 70 -10.630 -4.217 -0.194 1.00 0.00 O ATOM 1037 CB MET A 70 -8.765 -1.485 -0.046 1.00 0.00 C ATOM 1038 CG MET A 70 -7.706 -0.789 0.795 1.00 0.00 C ATOM 1039 SD MET A 70 -7.764 -1.279 2.529 1.00 0.00 S ATOM 1040 CE MET A 70 -6.320 -2.334 2.631 1.00 0.00 C ATOM 0 H MET A 70 -6.853 -2.473 -1.249 1.00 0.00 H new ATOM 0 HA MET A 70 -8.476 -3.417 0.848 1.00 0.00 H new ATOM 0 HB2 MET A 70 -8.764 -1.054 -1.047 1.00 0.00 H new ATOM 0 HB3 MET A 70 -9.747 -1.288 0.385 1.00 0.00 H new ATOM 0 HG2 MET A 70 -6.720 -1.015 0.390 1.00 0.00 H new ATOM 0 HG3 MET A 70 -7.841 0.290 0.722 1.00 0.00 H new ATOM 0 HE1 MET A 70 -6.021 -2.442 3.674 1.00 0.00 H new ATOM 0 HE2 MET A 70 -6.556 -3.314 2.217 1.00 0.00 H new ATOM 0 HE3 MET A 70 -5.503 -1.888 2.064 1.00 0.00 H new ATOM 1050 N ALA A 71 -9.808 -3.519 -2.169 1.00 0.00 N ATOM 1051 CA ALA A 71 -10.902 -4.085 -2.949 1.00 0.00 C ATOM 1052 C ALA A 71 -11.150 -5.541 -2.570 1.00 0.00 C ATOM 1053 O ALA A 71 -12.255 -5.912 -2.175 1.00 0.00 O ATOM 1054 CB ALA A 71 -10.606 -3.967 -4.436 1.00 0.00 C ATOM 0 H ALA A 71 -9.099 -3.039 -2.724 1.00 0.00 H new ATOM 0 HA ALA A 71 -11.806 -3.520 -2.724 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -11.431 -4.394 -5.006 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -10.487 -2.916 -4.701 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.688 -4.506 -4.668 1.00 0.00 H new ATOM 1060 N LYS A 72 -10.114 -6.364 -2.694 1.00 0.00 N ATOM 1061 CA LYS A 72 -10.218 -7.781 -2.364 1.00 0.00 C ATOM 1062 C LYS A 72 -10.959 -7.980 -1.046 1.00 0.00 C ATOM 1063 O LYS A 72 -11.876 -8.798 -0.955 1.00 0.00 O ATOM 1064 CB LYS A 72 -8.825 -8.409 -2.278 1.00 0.00 C ATOM 1065 CG LYS A 72 -8.006 -8.250 -3.548 1.00 0.00 C ATOM 1066 CD LYS A 72 -6.645 -8.912 -3.419 1.00 0.00 C ATOM 1067 CE LYS A 72 -5.899 -8.914 -4.745 1.00 0.00 C ATOM 1068 NZ LYS A 72 -6.260 -10.091 -5.583 1.00 0.00 N ATOM 0 H LYS A 72 -9.192 -6.074 -3.021 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.783 -8.272 -3.156 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.283 -7.957 -1.447 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.928 -9.470 -2.052 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.546 -8.687 -4.388 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.877 -7.190 -3.769 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.054 -8.388 -2.668 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.769 -9.937 -3.068 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.125 -7.997 -5.290 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.825 -8.917 -4.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.731 -10.056 -6.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.021 -10.966 -5.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.280 -10.074 -5.784 1.00 0.00 H new ATOM 1082 N LEU A 73 -10.559 -7.226 -0.028 1.00 0.00 N ATOM 1083 CA LEU A 73 -11.187 -7.319 1.285 1.00 0.00 C ATOM 1084 C LEU A 73 -12.705 -7.218 1.171 1.00 0.00 C ATOM 1085 O LEU A 73 -13.431 -8.087 1.651 1.00 0.00 O ATOM 1086 CB LEU A 73 -10.659 -6.216 2.204 1.00 0.00 C ATOM 1087 CG LEU A 73 -9.160 -6.256 2.507 1.00 0.00 C ATOM 1088 CD1 LEU A 73 -8.674 -4.893 2.976 1.00 0.00 C ATOM 1089 CD2 LEU A 73 -8.856 -7.320 3.551 1.00 0.00 C ATOM 0 H LEU A 73 -9.803 -6.544 -0.087 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.937 -8.290 1.712 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -10.893 -5.252 1.753 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -11.202 -6.266 3.148 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.630 -6.513 1.590 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.606 -4.940 3.187 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.858 -4.153 2.197 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.210 -4.607 3.881 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.785 -7.335 3.754 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -9.397 -7.093 4.470 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.168 -8.296 3.178 1.00 0.00 H new ATOM 1101 N GLN A 74 -13.175 -6.152 0.532 1.00 0.00 N ATOM 1102 CA GLN A 74 -14.607 -5.939 0.354 1.00 0.00 C ATOM 1103 C GLN A 74 -15.285 -7.202 -0.165 1.00 0.00 C ATOM 1104 O GLN A 74 -14.635 -8.082 -0.730 1.00 0.00 O ATOM 1105 CB GLN A 74 -14.855 -4.779 -0.612 1.00 0.00 C ATOM 1106 CG GLN A 74 -16.263 -4.210 -0.531 1.00 0.00 C ATOM 1107 CD GLN A 74 -16.538 -3.520 0.790 1.00 0.00 C ATOM 1108 OE1 GLN A 74 -16.597 -4.162 1.839 1.00 0.00 O ATOM 1109 NE2 GLN A 74 -16.708 -2.204 0.746 1.00 0.00 N ATOM 0 H GLN A 74 -12.586 -5.423 0.129 1.00 0.00 H new ATOM 0 HA GLN A 74 -15.035 -5.692 1.325 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -14.138 -3.984 -0.404 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -14.667 -5.119 -1.631 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -16.411 -3.500 -1.345 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -16.985 -5.014 -0.674 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -16.651 -1.712 -0.146 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -16.896 -1.685 1.604 1.00 0.00 H new ATOM 1118 N LYS A 75 -16.597 -7.287 0.030 1.00 0.00 N ATOM 1119 CA LYS A 75 -17.365 -8.442 -0.419 1.00 0.00 C ATOM 1120 C LYS A 75 -17.264 -8.608 -1.932 1.00 0.00 C ATOM 1121 O LYS A 75 -16.970 -9.695 -2.428 1.00 0.00 O ATOM 1122 CB LYS A 75 -18.832 -8.296 -0.008 1.00 0.00 C ATOM 1123 CG LYS A 75 -19.146 -8.902 1.349 1.00 0.00 C ATOM 1124 CD LYS A 75 -18.979 -7.885 2.466 1.00 0.00 C ATOM 1125 CE LYS A 75 -17.570 -7.910 3.038 1.00 0.00 C ATOM 1126 NZ LYS A 75 -17.298 -9.169 3.785 1.00 0.00 N ATOM 0 H LYS A 75 -17.151 -6.569 0.497 1.00 0.00 H new ATOM 0 HA LYS A 75 -16.948 -9.331 0.055 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -19.093 -7.238 0.007 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -19.461 -8.769 -0.762 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -20.168 -9.282 1.351 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -18.489 -9.753 1.529 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -19.201 -6.887 2.087 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -19.698 -8.092 3.259 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -16.847 -7.804 2.229 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -17.432 -7.057 3.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -16.528 -9.009 4.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -18.156 -9.462 4.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -17.020 -9.916 3.117 1.00 0.00 H new ATOM 1140 N SER A 76 -17.509 -7.522 -2.659 1.00 0.00 N ATOM 1141 CA SER A 76 -17.448 -7.549 -4.116 1.00 0.00 C ATOM 1142 C SER A 76 -16.232 -8.336 -4.594 1.00 0.00 C ATOM 1143 O SER A 76 -16.362 -9.437 -5.127 1.00 0.00 O ATOM 1144 CB SER A 76 -17.398 -6.124 -4.671 1.00 0.00 C ATOM 1145 OG SER A 76 -17.734 -6.101 -6.048 1.00 0.00 O ATOM 0 H SER A 76 -17.751 -6.614 -2.263 1.00 0.00 H new ATOM 0 HA SER A 76 -18.347 -8.044 -4.484 1.00 0.00 H new ATOM 0 HB2 SER A 76 -18.088 -5.489 -4.115 1.00 0.00 H new ATOM 0 HB3 SER A 76 -16.399 -5.710 -4.530 1.00 0.00 H new ATOM 0 HG SER A 76 -17.696 -5.179 -6.379 1.00 0.00 H new ATOM 1151 N GLY A 77 -15.048 -7.762 -4.400 1.00 0.00 N ATOM 1152 CA GLY A 77 -13.825 -8.423 -4.817 1.00 0.00 C ATOM 1153 C GLY A 77 -12.981 -7.557 -5.730 1.00 0.00 C ATOM 1154 O GLY A 77 -12.266 -6.659 -5.284 1.00 0.00 O ATOM 0 H GLY A 77 -14.914 -6.851 -3.961 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -13.242 -8.692 -3.936 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -14.074 -9.352 -5.330 1.00 0.00 H new ATOM 1158 N PRO A 78 -13.056 -7.825 -7.042 1.00 0.00 N ATOM 1159 CA PRO A 78 -12.297 -7.075 -8.048 1.00 0.00 C ATOM 1160 C PRO A 78 -12.806 -5.646 -8.211 1.00 0.00 C ATOM 1161 O PRO A 78 -13.933 -5.331 -7.830 1.00 0.00 O ATOM 1162 CB PRO A 78 -12.526 -7.874 -9.333 1.00 0.00 C ATOM 1163 CG PRO A 78 -13.821 -8.577 -9.117 1.00 0.00 C ATOM 1164 CD PRO A 78 -13.887 -8.880 -7.645 1.00 0.00 C ATOM 0 HA PRO A 78 -11.247 -6.973 -7.775 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -12.571 -7.219 -10.203 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -11.716 -8.582 -9.509 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -14.660 -7.953 -9.425 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -13.871 -9.492 -9.707 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -14.911 -8.846 -7.273 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -13.499 -9.874 -7.422 1.00 0.00 H new ATOM 1172 N SER A 79 -11.968 -4.786 -8.780 1.00 0.00 N ATOM 1173 CA SER A 79 -12.332 -3.390 -8.991 1.00 0.00 C ATOM 1174 C SER A 79 -12.278 -3.032 -10.473 1.00 0.00 C ATOM 1175 O SER A 79 -11.244 -2.598 -10.981 1.00 0.00 O ATOM 1176 CB SER A 79 -11.398 -2.472 -8.199 1.00 0.00 C ATOM 1177 OG SER A 79 -11.694 -1.109 -8.445 1.00 0.00 O ATOM 0 H SER A 79 -11.032 -5.031 -9.103 1.00 0.00 H new ATOM 0 HA SER A 79 -13.354 -3.250 -8.638 1.00 0.00 H new ATOM 0 HB2 SER A 79 -11.494 -2.682 -7.134 1.00 0.00 H new ATOM 0 HB3 SER A 79 -10.363 -2.678 -8.472 1.00 0.00 H new ATOM 0 HG SER A 79 -11.085 -0.543 -7.926 1.00 0.00 H new ATOM 1183 N SER A 80 -13.400 -3.217 -11.161 1.00 0.00 N ATOM 1184 CA SER A 80 -13.481 -2.918 -12.586 1.00 0.00 C ATOM 1185 C SER A 80 -14.577 -1.894 -12.865 1.00 0.00 C ATOM 1186 O SER A 80 -15.685 -2.248 -13.265 1.00 0.00 O ATOM 1187 CB SER A 80 -13.747 -4.197 -13.383 1.00 0.00 C ATOM 1188 OG SER A 80 -13.896 -3.915 -14.764 1.00 0.00 O ATOM 0 H SER A 80 -14.265 -3.572 -10.755 1.00 0.00 H new ATOM 0 HA SER A 80 -12.526 -2.496 -12.898 1.00 0.00 H new ATOM 0 HB2 SER A 80 -12.924 -4.897 -13.238 1.00 0.00 H new ATOM 0 HB3 SER A 80 -14.648 -4.682 -13.008 1.00 0.00 H new ATOM 0 HG SER A 80 -14.064 -4.748 -15.252 1.00 0.00 H new ATOM 1194 N GLY A 81 -14.257 -0.621 -12.650 1.00 0.00 N ATOM 1195 CA GLY A 81 -15.224 0.436 -12.883 1.00 0.00 C ATOM 1196 C GLY A 81 -15.305 0.836 -14.342 1.00 0.00 C ATOM 1197 O GLY A 81 -16.405 1.084 -14.835 1.00 0.00 O ATOM 0 H GLY A 81 -13.346 -0.303 -12.319 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -16.206 0.106 -12.545 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -14.957 1.307 -12.285 1.00 0.00 H new TER 1201 GLY A 81 HETATM 1202 ZN ZN A 201 -2.049 3.585 10.936 1.00 0.00 ZN HETATM 1203 ZN ZN A 401 8.160 -2.323 5.078 1.00 0.00 ZN