USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 492 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 42 HIS HD1 : A 42 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 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot -57:sc= 0.261 USER MOD Single : A 15 THR OG1 : rot 43:sc= 0.422 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.115 K(o=-0.11,f=-1.9!) USER MOD Single : A 31 ASN : amide:sc= -0.0739 K(o=-0.074,f=-1.1) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 127:sc= 1.33 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.245 X(o=-0.24,f=-0.69) USER MOD Single : A 52 SER OG : rot 116:sc= -0.624 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -4.65! C(o=-4.7!,f=-11!) USER MOD Single : A 57 ASN : amide:sc= -0.868 K(o=-0.87,f=-3.3) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.0906 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN :FLIP amide:sc= -0.203 F(o=-0.9,f=-0.2) USER MOD Single : A 68 HIS : no HD1:sc= -0.0321 X(o=-0.032,f=-0.48) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -32.992 -33.753 -14.129 1.00 0.00 N ATOM 2 CA GLY A 1 -31.619 -33.496 -14.522 1.00 0.00 C ATOM 3 C GLY A 1 -30.632 -33.794 -13.411 1.00 0.00 C ATOM 4 O GLY A 1 -30.491 -34.941 -12.988 1.00 0.00 O ATOM 0 H1 GLY A 1 -33.627 -33.534 -14.923 1.00 0.00 H new ATOM 0 H2 GLY A 1 -33.097 -34.754 -13.868 1.00 0.00 H new ATOM 0 H3 GLY A 1 -33.238 -33.155 -13.314 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -31.374 -34.103 -15.394 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -31.519 -32.453 -14.822 1.00 0.00 H new ATOM 8 N SER A 2 -29.944 -32.759 -12.939 1.00 0.00 N ATOM 9 CA SER A 2 -28.961 -32.917 -11.874 1.00 0.00 C ATOM 10 C SER A 2 -28.961 -31.703 -10.950 1.00 0.00 C ATOM 11 O SER A 2 -29.549 -30.669 -11.266 1.00 0.00 O ATOM 12 CB SER A 2 -27.565 -33.122 -12.466 1.00 0.00 C ATOM 13 OG SER A 2 -27.501 -34.321 -13.219 1.00 0.00 O ATOM 0 H SER A 2 -30.049 -31.803 -13.277 1.00 0.00 H new ATOM 0 HA SER A 2 -29.233 -33.796 -11.290 1.00 0.00 H new ATOM 0 HB2 SER A 2 -27.309 -32.275 -13.103 1.00 0.00 H new ATOM 0 HB3 SER A 2 -26.827 -33.153 -11.664 1.00 0.00 H new ATOM 0 HG SER A 2 -26.599 -34.428 -13.588 1.00 0.00 H new ATOM 19 N SER A 3 -28.296 -31.837 -9.807 1.00 0.00 N ATOM 20 CA SER A 3 -28.222 -30.753 -8.834 1.00 0.00 C ATOM 21 C SER A 3 -26.947 -30.856 -8.003 1.00 0.00 C ATOM 22 O SER A 3 -26.368 -31.932 -7.863 1.00 0.00 O ATOM 23 CB SER A 3 -29.446 -30.779 -7.916 1.00 0.00 C ATOM 24 OG SER A 3 -29.461 -29.653 -7.055 1.00 0.00 O ATOM 0 H SER A 3 -27.801 -32.685 -9.532 1.00 0.00 H new ATOM 0 HA SER A 3 -28.205 -29.809 -9.379 1.00 0.00 H new ATOM 0 HB2 SER A 3 -30.355 -30.793 -8.517 1.00 0.00 H new ATOM 0 HB3 SER A 3 -29.441 -31.694 -7.324 1.00 0.00 H new ATOM 0 HG SER A 3 -30.253 -29.692 -6.480 1.00 0.00 H new ATOM 30 N GLY A 4 -26.514 -29.725 -7.453 1.00 0.00 N ATOM 31 CA GLY A 4 -25.310 -29.708 -6.642 1.00 0.00 C ATOM 32 C GLY A 4 -24.636 -28.351 -6.635 1.00 0.00 C ATOM 33 O GLY A 4 -25.262 -27.337 -6.945 1.00 0.00 O ATOM 0 H GLY A 4 -26.975 -28.821 -7.555 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -25.560 -29.991 -5.620 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -24.611 -30.455 -7.018 1.00 0.00 H new ATOM 37 N SER A 5 -23.355 -28.330 -6.278 1.00 0.00 N ATOM 38 CA SER A 5 -22.597 -27.085 -6.226 1.00 0.00 C ATOM 39 C SER A 5 -21.617 -26.997 -7.392 1.00 0.00 C ATOM 40 O SER A 5 -21.260 -28.009 -7.995 1.00 0.00 O ATOM 41 CB SER A 5 -21.840 -26.980 -4.901 1.00 0.00 C ATOM 42 OG SER A 5 -22.734 -26.976 -3.801 1.00 0.00 O ATOM 0 H SER A 5 -22.821 -29.160 -6.021 1.00 0.00 H new ATOM 0 HA SER A 5 -23.301 -26.256 -6.302 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.147 -27.816 -4.807 1.00 0.00 H new ATOM 0 HB3 SER A 5 -21.243 -26.068 -4.891 1.00 0.00 H new ATOM 0 HG SER A 5 -22.225 -26.910 -2.966 1.00 0.00 H new ATOM 48 N SER A 6 -21.187 -25.779 -7.705 1.00 0.00 N ATOM 49 CA SER A 6 -20.252 -25.556 -8.801 1.00 0.00 C ATOM 50 C SER A 6 -19.360 -24.350 -8.518 1.00 0.00 C ATOM 51 O SER A 6 -19.844 -23.276 -8.164 1.00 0.00 O ATOM 52 CB SER A 6 -21.011 -25.347 -10.112 1.00 0.00 C ATOM 53 OG SER A 6 -20.147 -24.880 -11.134 1.00 0.00 O ATOM 0 H SER A 6 -21.472 -24.931 -7.215 1.00 0.00 H new ATOM 0 HA SER A 6 -19.620 -26.439 -8.892 1.00 0.00 H new ATOM 0 HB2 SER A 6 -21.472 -26.285 -10.422 1.00 0.00 H new ATOM 0 HB3 SER A 6 -21.818 -24.630 -9.958 1.00 0.00 H new ATOM 0 HG SER A 6 -20.657 -24.756 -11.962 1.00 0.00 H new ATOM 59 N GLY A 7 -18.054 -24.538 -8.678 1.00 0.00 N ATOM 60 CA GLY A 7 -17.114 -23.458 -8.436 1.00 0.00 C ATOM 61 C GLY A 7 -16.641 -23.414 -6.997 1.00 0.00 C ATOM 62 O GLY A 7 -17.086 -22.573 -6.214 1.00 0.00 O ATOM 0 H GLY A 7 -17.630 -25.418 -8.971 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.254 -23.575 -9.095 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.584 -22.508 -8.690 1.00 0.00 H new ATOM 66 N THR A 8 -15.736 -24.322 -6.645 1.00 0.00 N ATOM 67 CA THR A 8 -15.204 -24.385 -5.289 1.00 0.00 C ATOM 68 C THR A 8 -13.811 -25.002 -5.274 1.00 0.00 C ATOM 69 O THR A 8 -13.320 -25.478 -6.297 1.00 0.00 O ATOM 70 CB THR A 8 -16.125 -25.200 -4.362 1.00 0.00 C ATOM 71 OG1 THR A 8 -16.344 -26.504 -4.912 1.00 0.00 O ATOM 72 CG2 THR A 8 -17.459 -24.495 -4.167 1.00 0.00 C ATOM 0 H THR A 8 -15.356 -25.024 -7.280 1.00 0.00 H new ATOM 0 HA THR A 8 -15.148 -23.360 -4.923 1.00 0.00 H new ATOM 0 HB THR A 8 -15.637 -25.293 -3.392 1.00 0.00 H new ATOM 0 HG1 THR A 8 -16.929 -27.016 -4.316 1.00 0.00 H new ATOM 0 HG21 THR A 8 -18.092 -25.090 -3.509 1.00 0.00 H new ATOM 0 HG22 THR A 8 -17.291 -23.515 -3.720 1.00 0.00 H new ATOM 0 HG23 THR A 8 -17.951 -24.374 -5.132 1.00 0.00 H new ATOM 80 N GLY A 9 -13.177 -24.992 -4.105 1.00 0.00 N ATOM 81 CA GLY A 9 -11.845 -25.555 -3.979 1.00 0.00 C ATOM 82 C GLY A 9 -10.757 -24.516 -4.162 1.00 0.00 C ATOM 83 O GLY A 9 -10.060 -24.162 -3.210 1.00 0.00 O ATOM 0 H GLY A 9 -13.562 -24.604 -3.244 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.741 -26.017 -2.997 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -11.716 -26.345 -4.719 1.00 0.00 H new ATOM 87 N LEU A 10 -10.608 -24.027 -5.388 1.00 0.00 N ATOM 88 CA LEU A 10 -9.595 -23.023 -5.693 1.00 0.00 C ATOM 89 C LEU A 10 -9.704 -21.833 -4.745 1.00 0.00 C ATOM 90 O LEU A 10 -10.804 -21.399 -4.402 1.00 0.00 O ATOM 91 CB LEU A 10 -9.736 -22.551 -7.141 1.00 0.00 C ATOM 92 CG LEU A 10 -11.072 -21.903 -7.508 1.00 0.00 C ATOM 93 CD1 LEU A 10 -11.046 -20.415 -7.197 1.00 0.00 C ATOM 94 CD2 LEU A 10 -11.392 -22.137 -8.977 1.00 0.00 C ATOM 0 H LEU A 10 -11.176 -24.309 -6.187 1.00 0.00 H new ATOM 0 HA LEU A 10 -8.615 -23.480 -5.560 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.939 -21.837 -7.349 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.577 -23.406 -7.798 1.00 0.00 H new ATOM 0 HG LEU A 10 -11.856 -22.365 -6.908 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -12.005 -19.971 -7.465 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -10.863 -20.269 -6.132 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -10.252 -19.937 -7.771 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -12.346 -21.669 -9.221 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -10.606 -21.702 -9.594 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -11.453 -23.208 -9.170 1.00 0.00 H new ATOM 106 N ARG A 11 -8.557 -21.308 -4.328 1.00 0.00 N ATOM 107 CA ARG A 11 -8.524 -20.167 -3.421 1.00 0.00 C ATOM 108 C ARG A 11 -7.469 -19.155 -3.858 1.00 0.00 C ATOM 109 O ARG A 11 -6.433 -19.506 -4.424 1.00 0.00 O ATOM 110 CB ARG A 11 -8.238 -20.633 -1.992 1.00 0.00 C ATOM 111 CG ARG A 11 -6.845 -21.213 -1.808 1.00 0.00 C ATOM 112 CD ARG A 11 -6.528 -21.447 -0.339 1.00 0.00 C ATOM 113 NE ARG A 11 -6.350 -20.193 0.389 1.00 0.00 N ATOM 114 CZ ARG A 11 -5.719 -20.104 1.555 1.00 0.00 C ATOM 115 NH1 ARG A 11 -5.209 -21.188 2.122 1.00 0.00 N ATOM 116 NH2 ARG A 11 -5.597 -18.927 2.155 1.00 0.00 N ATOM 0 H ARG A 11 -7.638 -21.654 -4.604 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.500 -19.683 -3.450 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.364 -19.791 -1.312 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -8.975 -21.384 -1.709 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.767 -22.154 -2.353 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.108 -20.534 -2.237 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.334 -22.021 0.119 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.622 -22.047 -0.255 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.731 -19.340 -0.020 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.300 -22.094 1.663 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -4.725 -21.116 3.017 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.988 -18.091 1.721 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.113 -18.859 3.050 1.00 0.00 H new ATOM 130 N PRO A 12 -7.737 -17.868 -3.591 1.00 0.00 N ATOM 131 CA PRO A 12 -6.824 -16.779 -3.949 1.00 0.00 C ATOM 132 C PRO A 12 -5.552 -16.790 -3.108 1.00 0.00 C ATOM 133 O PRO A 12 -5.553 -17.257 -1.970 1.00 0.00 O ATOM 134 CB PRO A 12 -7.644 -15.519 -3.661 1.00 0.00 C ATOM 135 CG PRO A 12 -8.631 -15.938 -2.626 1.00 0.00 C ATOM 136 CD PRO A 12 -8.953 -17.378 -2.920 1.00 0.00 C ATOM 0 HA PRO A 12 -6.483 -16.855 -4.982 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.011 -14.709 -3.299 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -8.143 -15.157 -4.560 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.216 -15.827 -1.624 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -9.528 -15.321 -2.670 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -9.162 -17.937 -2.008 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -9.831 -17.471 -3.560 1.00 0.00 H new ATOM 144 N SER A 13 -4.468 -16.271 -3.677 1.00 0.00 N ATOM 145 CA SER A 13 -3.187 -16.225 -2.981 1.00 0.00 C ATOM 146 C SER A 13 -2.751 -14.782 -2.743 1.00 0.00 C ATOM 147 O SER A 13 -1.597 -14.424 -2.979 1.00 0.00 O ATOM 148 CB SER A 13 -2.118 -16.968 -3.784 1.00 0.00 C ATOM 149 OG SER A 13 -0.939 -17.147 -3.020 1.00 0.00 O ATOM 0 H SER A 13 -4.451 -15.877 -4.618 1.00 0.00 H new ATOM 0 HA SER A 13 -3.308 -16.714 -2.015 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.503 -17.938 -4.097 1.00 0.00 H new ATOM 0 HB3 SER A 13 -1.886 -16.409 -4.691 1.00 0.00 H new ATOM 0 HG SER A 13 -0.607 -16.275 -2.721 1.00 0.00 H new ATOM 155 N GLY A 14 -3.682 -13.958 -2.274 1.00 0.00 N ATOM 156 CA GLY A 14 -3.375 -12.564 -2.012 1.00 0.00 C ATOM 157 C GLY A 14 -4.153 -12.010 -0.835 1.00 0.00 C ATOM 158 O GLY A 14 -4.934 -11.069 -0.983 1.00 0.00 O ATOM 0 H GLY A 14 -4.644 -14.231 -2.071 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -2.307 -12.460 -1.819 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.597 -11.973 -2.901 1.00 0.00 H new ATOM 162 N THR A 15 -3.943 -12.596 0.340 1.00 0.00 N ATOM 163 CA THR A 15 -4.633 -12.158 1.547 1.00 0.00 C ATOM 164 C THR A 15 -4.011 -10.882 2.103 1.00 0.00 C ATOM 165 O THR A 15 -2.862 -10.882 2.545 1.00 0.00 O ATOM 166 CB THR A 15 -4.605 -13.246 2.636 1.00 0.00 C ATOM 167 OG1 THR A 15 -3.257 -13.663 2.878 1.00 0.00 O ATOM 168 CG2 THR A 15 -5.446 -14.445 2.224 1.00 0.00 C ATOM 0 H THR A 15 -3.300 -13.375 0.481 1.00 0.00 H new ATOM 0 HA THR A 15 -5.668 -11.962 1.266 1.00 0.00 H new ATOM 0 HB THR A 15 -5.024 -12.825 3.550 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.673 -12.877 2.912 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.411 -15.201 3.009 1.00 0.00 H new ATOM 0 HG22 THR A 15 -6.478 -14.130 2.069 1.00 0.00 H new ATOM 0 HG23 THR A 15 -5.052 -14.865 1.298 1.00 0.00 H new ATOM 176 N VAL A 16 -4.776 -9.796 2.079 1.00 0.00 N ATOM 177 CA VAL A 16 -4.300 -8.513 2.583 1.00 0.00 C ATOM 178 C VAL A 16 -4.900 -8.203 3.949 1.00 0.00 C ATOM 179 O VAL A 16 -6.032 -8.587 4.243 1.00 0.00 O ATOM 180 CB VAL A 16 -4.642 -7.367 1.612 1.00 0.00 C ATOM 181 CG1 VAL A 16 -3.780 -7.452 0.361 1.00 0.00 C ATOM 182 CG2 VAL A 16 -6.120 -7.395 1.254 1.00 0.00 C ATOM 0 H VAL A 16 -5.729 -9.779 1.716 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.217 -8.591 2.674 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.430 -6.419 2.107 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.036 -6.635 -0.313 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.728 -7.378 0.638 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.958 -8.404 -0.139 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.344 -6.579 0.567 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -6.361 -8.346 0.778 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.716 -7.281 2.160 1.00 0.00 H new ATOM 192 N SER A 17 -4.134 -7.505 4.781 1.00 0.00 N ATOM 193 CA SER A 17 -4.588 -7.146 6.119 1.00 0.00 C ATOM 194 C SER A 17 -4.033 -5.787 6.535 1.00 0.00 C ATOM 195 O SER A 17 -2.826 -5.627 6.722 1.00 0.00 O ATOM 196 CB SER A 17 -4.164 -8.213 7.130 1.00 0.00 C ATOM 197 OG SER A 17 -4.657 -9.489 6.761 1.00 0.00 O ATOM 0 H SER A 17 -3.196 -7.177 4.552 1.00 0.00 H new ATOM 0 HA SER A 17 -5.676 -7.085 6.101 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.076 -8.245 7.195 1.00 0.00 H new ATOM 0 HB3 SER A 17 -4.535 -7.948 8.120 1.00 0.00 H new ATOM 0 HG SER A 17 -4.371 -10.154 7.422 1.00 0.00 H new ATOM 203 N CYS A 18 -4.922 -4.809 6.677 1.00 0.00 N ATOM 204 CA CYS A 18 -4.523 -3.463 7.070 1.00 0.00 C ATOM 205 C CYS A 18 -4.671 -3.270 8.576 1.00 0.00 C ATOM 206 O CYS A 18 -5.761 -3.381 9.138 1.00 0.00 O ATOM 207 CB CYS A 18 -5.362 -2.423 6.326 1.00 0.00 C ATOM 208 SG CYS A 18 -5.086 -0.710 6.881 1.00 0.00 S ATOM 0 H CYS A 18 -5.924 -4.924 6.526 1.00 0.00 H new ATOM 0 HA CYS A 18 -3.474 -3.330 6.806 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -5.141 -2.488 5.261 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -6.417 -2.668 6.449 1.00 0.00 H new ATOM 213 N PRO A 19 -3.548 -2.973 9.247 1.00 0.00 N ATOM 214 CA PRO A 19 -3.526 -2.756 10.697 1.00 0.00 C ATOM 215 C PRO A 19 -4.227 -1.463 11.101 1.00 0.00 C ATOM 216 O PRO A 19 -4.625 -1.296 12.254 1.00 0.00 O ATOM 217 CB PRO A 19 -2.032 -2.679 11.022 1.00 0.00 C ATOM 218 CG PRO A 19 -1.392 -2.231 9.754 1.00 0.00 C ATOM 219 CD PRO A 19 -2.214 -2.824 8.643 1.00 0.00 C ATOM 0 HA PRO A 19 -4.053 -3.544 11.235 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.839 -1.977 11.833 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.645 -3.647 11.340 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.375 -1.143 9.689 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.358 -2.570 9.698 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.239 -2.172 7.770 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.813 -3.783 8.314 1.00 0.00 H new ATOM 227 N ILE A 20 -4.374 -0.552 10.145 1.00 0.00 N ATOM 228 CA ILE A 20 -5.028 0.725 10.402 1.00 0.00 C ATOM 229 C ILE A 20 -6.517 0.536 10.670 1.00 0.00 C ATOM 230 O ILE A 20 -7.006 0.836 11.760 1.00 0.00 O ATOM 231 CB ILE A 20 -4.850 1.696 9.220 1.00 0.00 C ATOM 232 CG1 ILE A 20 -3.389 1.719 8.766 1.00 0.00 C ATOM 233 CG2 ILE A 20 -5.311 3.093 9.608 1.00 0.00 C ATOM 234 CD1 ILE A 20 -2.438 2.247 9.816 1.00 0.00 C ATOM 0 H ILE A 20 -4.049 -0.674 9.186 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.553 1.150 11.286 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.464 1.349 8.389 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.087 0.709 8.489 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.305 2.334 7.870 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.179 3.768 8.762 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.364 3.064 9.888 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.721 3.450 10.452 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.421 2.234 9.425 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.714 3.269 10.076 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.493 1.619 10.705 1.00 0.00 H new ATOM 246 N CYS A 21 -7.234 0.034 9.670 1.00 0.00 N ATOM 247 CA CYS A 21 -8.668 -0.197 9.797 1.00 0.00 C ATOM 248 C CYS A 21 -8.947 -1.593 10.348 1.00 0.00 C ATOM 249 O CYS A 21 -10.029 -1.860 10.869 1.00 0.00 O ATOM 250 CB CYS A 21 -9.355 -0.026 8.441 1.00 0.00 C ATOM 251 SG CYS A 21 -8.658 -1.066 7.117 1.00 0.00 S ATOM 0 H CYS A 21 -6.845 -0.221 8.762 1.00 0.00 H new ATOM 0 HA CYS A 21 -9.069 0.538 10.495 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -10.414 -0.258 8.551 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -9.287 1.020 8.141 1.00 0.00 H new ATOM 256 N MET A 22 -7.962 -2.477 10.231 1.00 0.00 N ATOM 257 CA MET A 22 -8.101 -3.844 10.719 1.00 0.00 C ATOM 258 C MET A 22 -9.295 -4.535 10.068 1.00 0.00 C ATOM 259 O MET A 22 -10.072 -5.215 10.739 1.00 0.00 O ATOM 260 CB MET A 22 -8.259 -3.852 12.240 1.00 0.00 C ATOM 261 CG MET A 22 -6.937 -3.800 12.989 1.00 0.00 C ATOM 262 SD MET A 22 -7.104 -4.264 14.724 1.00 0.00 S ATOM 263 CE MET A 22 -6.554 -2.762 15.530 1.00 0.00 C ATOM 0 H MET A 22 -7.059 -2.271 9.803 1.00 0.00 H new ATOM 0 HA MET A 22 -7.197 -4.392 10.452 1.00 0.00 H new ATOM 0 HB2 MET A 22 -8.870 -3.000 12.538 1.00 0.00 H new ATOM 0 HB3 MET A 22 -8.800 -4.751 12.536 1.00 0.00 H new ATOM 0 HG2 MET A 22 -6.223 -4.467 12.505 1.00 0.00 H new ATOM 0 HG3 MET A 22 -6.526 -2.792 12.924 1.00 0.00 H new ATOM 0 HE1 MET A 22 -6.600 -2.892 16.611 1.00 0.00 H new ATOM 0 HE2 MET A 22 -5.528 -2.545 15.234 1.00 0.00 H new ATOM 0 HE3 MET A 22 -7.199 -1.934 15.236 1.00 0.00 H new ATOM 273 N ASP A 23 -9.435 -4.357 8.759 1.00 0.00 N ATOM 274 CA ASP A 23 -10.535 -4.964 8.018 1.00 0.00 C ATOM 275 C ASP A 23 -10.016 -6.007 7.033 1.00 0.00 C ATOM 276 O ASP A 23 -8.813 -6.249 6.947 1.00 0.00 O ATOM 277 CB ASP A 23 -11.329 -3.890 7.272 1.00 0.00 C ATOM 278 CG ASP A 23 -12.790 -4.259 7.111 1.00 0.00 C ATOM 279 OD1 ASP A 23 -13.128 -5.445 7.307 1.00 0.00 O ATOM 280 OD2 ASP A 23 -13.597 -3.361 6.788 1.00 0.00 O ATOM 0 H ASP A 23 -8.801 -3.797 8.189 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.192 -5.460 8.732 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -11.253 -2.946 7.811 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -10.886 -3.732 6.288 1.00 0.00 H new ATOM 285 N GLY A 24 -10.933 -6.623 6.294 1.00 0.00 N ATOM 286 CA GLY A 24 -10.548 -7.634 5.326 1.00 0.00 C ATOM 287 C GLY A 24 -10.451 -7.081 3.918 1.00 0.00 C ATOM 288 O GLY A 24 -10.603 -5.878 3.704 1.00 0.00 O ATOM 0 H GLY A 24 -11.935 -6.440 6.348 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -9.587 -8.060 5.613 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.275 -8.446 5.345 1.00 0.00 H new ATOM 292 N TYR A 25 -10.195 -7.960 2.955 1.00 0.00 N ATOM 293 CA TYR A 25 -10.073 -7.553 1.561 1.00 0.00 C ATOM 294 C TYR A 25 -11.447 -7.314 0.941 1.00 0.00 C ATOM 295 O TYR A 25 -11.650 -6.343 0.211 1.00 0.00 O ATOM 296 CB TYR A 25 -9.319 -8.616 0.761 1.00 0.00 C ATOM 297 CG TYR A 25 -9.451 -8.455 -0.736 1.00 0.00 C ATOM 298 CD1 TYR A 25 -8.603 -7.610 -1.442 1.00 0.00 C ATOM 299 CD2 TYR A 25 -10.425 -9.147 -1.446 1.00 0.00 C ATOM 300 CE1 TYR A 25 -8.721 -7.459 -2.810 1.00 0.00 C ATOM 301 CE2 TYR A 25 -10.549 -9.004 -2.814 1.00 0.00 C ATOM 302 CZ TYR A 25 -9.695 -8.159 -3.492 1.00 0.00 C ATOM 303 OH TYR A 25 -9.816 -8.012 -4.854 1.00 0.00 O ATOM 0 H TYR A 25 -10.068 -8.959 3.115 1.00 0.00 H new ATOM 0 HA TYR A 25 -9.512 -6.619 1.530 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -8.263 -8.580 1.030 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -9.687 -9.602 1.046 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.838 -7.062 -0.912 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -11.097 -9.808 -0.919 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -8.055 -6.797 -3.343 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -11.311 -9.551 -3.350 1.00 0.00 H new ATOM 0 HH TYR A 25 -10.549 -8.575 -5.180 1.00 0.00 H new ATOM 313 N SER A 26 -12.386 -8.206 1.238 1.00 0.00 N ATOM 314 CA SER A 26 -13.740 -8.096 0.708 1.00 0.00 C ATOM 315 C SER A 26 -14.432 -6.845 1.243 1.00 0.00 C ATOM 316 O SER A 26 -15.297 -6.272 0.582 1.00 0.00 O ATOM 317 CB SER A 26 -14.555 -9.338 1.071 1.00 0.00 C ATOM 318 OG SER A 26 -15.814 -9.330 0.420 1.00 0.00 O ATOM 0 H SER A 26 -12.234 -9.013 1.843 1.00 0.00 H new ATOM 0 HA SER A 26 -13.674 -8.018 -0.377 1.00 0.00 H new ATOM 0 HB2 SER A 26 -14.002 -10.234 0.790 1.00 0.00 H new ATOM 0 HB3 SER A 26 -14.700 -9.379 2.150 1.00 0.00 H new ATOM 0 HG SER A 26 -16.315 -10.135 0.667 1.00 0.00 H new ATOM 324 N GLU A 27 -14.043 -6.429 2.444 1.00 0.00 N ATOM 325 CA GLU A 27 -14.627 -5.248 3.068 1.00 0.00 C ATOM 326 C GLU A 27 -14.086 -3.972 2.429 1.00 0.00 C ATOM 327 O GLU A 27 -14.850 -3.139 1.940 1.00 0.00 O ATOM 328 CB GLU A 27 -14.336 -5.241 4.571 1.00 0.00 C ATOM 329 CG GLU A 27 -15.282 -6.115 5.377 1.00 0.00 C ATOM 330 CD GLU A 27 -14.784 -7.540 5.518 1.00 0.00 C ATOM 331 OE1 GLU A 27 -14.054 -8.005 4.619 1.00 0.00 O ATOM 332 OE2 GLU A 27 -15.124 -8.189 6.529 1.00 0.00 O ATOM 0 H GLU A 27 -13.327 -6.892 3.004 1.00 0.00 H new ATOM 0 HA GLU A 27 -15.705 -5.283 2.914 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -13.313 -5.579 4.736 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -14.397 -4.217 4.940 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -15.415 -5.681 6.368 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -16.261 -6.122 4.898 1.00 0.00 H new ATOM 339 N ILE A 28 -12.766 -3.826 2.438 1.00 0.00 N ATOM 340 CA ILE A 28 -12.123 -2.653 1.859 1.00 0.00 C ATOM 341 C ILE A 28 -12.586 -2.425 0.424 1.00 0.00 C ATOM 342 O ILE A 28 -12.865 -1.295 0.022 1.00 0.00 O ATOM 343 CB ILE A 28 -10.589 -2.785 1.877 1.00 0.00 C ATOM 344 CG1 ILE A 28 -10.078 -2.858 3.318 1.00 0.00 C ATOM 345 CG2 ILE A 28 -9.948 -1.618 1.141 1.00 0.00 C ATOM 346 CD1 ILE A 28 -8.750 -3.569 3.453 1.00 0.00 C ATOM 0 H ILE A 28 -12.120 -4.506 2.840 1.00 0.00 H new ATOM 0 HA ILE A 28 -12.413 -1.799 2.472 1.00 0.00 H new ATOM 0 HB ILE A 28 -10.313 -3.707 1.366 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -9.981 -1.846 3.712 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -10.819 -3.370 3.932 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -8.864 -1.726 1.163 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -10.291 -1.608 0.106 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -10.229 -0.683 1.626 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -8.450 -3.583 4.501 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.846 -4.592 3.090 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.995 -3.045 2.866 1.00 0.00 H new ATOM 358 N VAL A 29 -12.666 -3.506 -0.345 1.00 0.00 N ATOM 359 CA VAL A 29 -13.098 -3.425 -1.736 1.00 0.00 C ATOM 360 C VAL A 29 -14.601 -3.191 -1.832 1.00 0.00 C ATOM 361 O VAL A 29 -15.087 -2.605 -2.799 1.00 0.00 O ATOM 362 CB VAL A 29 -12.738 -4.707 -2.511 1.00 0.00 C ATOM 363 CG1 VAL A 29 -11.276 -5.069 -2.296 1.00 0.00 C ATOM 364 CG2 VAL A 29 -13.647 -5.853 -2.094 1.00 0.00 C ATOM 0 H VAL A 29 -12.437 -4.448 -0.029 1.00 0.00 H new ATOM 0 HA VAL A 29 -12.573 -2.580 -2.182 1.00 0.00 H new ATOM 0 HB VAL A 29 -12.888 -4.523 -3.575 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -11.041 -5.977 -2.851 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -10.644 -4.254 -2.648 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -11.095 -5.236 -1.234 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -13.379 -6.751 -2.651 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -13.531 -6.040 -1.026 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -14.684 -5.591 -2.305 1.00 0.00 H new ATOM 374 N GLN A 30 -15.332 -3.653 -0.822 1.00 0.00 N ATOM 375 CA GLN A 30 -16.781 -3.493 -0.793 1.00 0.00 C ATOM 376 C GLN A 30 -17.164 -2.028 -0.616 1.00 0.00 C ATOM 377 O GLN A 30 -17.658 -1.628 0.437 1.00 0.00 O ATOM 378 CB GLN A 30 -17.384 -4.330 0.336 1.00 0.00 C ATOM 379 CG GLN A 30 -18.863 -4.063 0.568 1.00 0.00 C ATOM 380 CD GLN A 30 -19.581 -5.250 1.179 1.00 0.00 C ATOM 381 OE1 GLN A 30 -18.983 -6.300 1.413 1.00 0.00 O ATOM 382 NE2 GLN A 30 -20.873 -5.088 1.443 1.00 0.00 N ATOM 0 H GLN A 30 -14.945 -4.141 -0.014 1.00 0.00 H new ATOM 0 HA GLN A 30 -17.179 -3.840 -1.746 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -17.246 -5.387 0.108 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -16.838 -4.129 1.258 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -18.974 -3.199 1.224 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -19.335 -3.806 -0.380 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -21.329 -4.200 1.233 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -21.409 -5.851 1.856 1.00 0.00 H new ATOM 391 N ASN A 31 -16.932 -1.231 -1.655 1.00 0.00 N ATOM 392 CA ASN A 31 -17.252 0.191 -1.613 1.00 0.00 C ATOM 393 C ASN A 31 -16.658 0.847 -0.370 1.00 0.00 C ATOM 394 O ASN A 31 -17.345 1.567 0.352 1.00 0.00 O ATOM 395 CB ASN A 31 -18.768 0.395 -1.636 1.00 0.00 C ATOM 396 CG ASN A 31 -19.407 -0.155 -2.897 1.00 0.00 C ATOM 397 OD1 ASN A 31 -19.328 -1.352 -3.175 1.00 0.00 O ATOM 398 ND2 ASN A 31 -20.044 0.720 -3.667 1.00 0.00 N ATOM 0 H ASN A 31 -16.524 -1.546 -2.535 1.00 0.00 H new ATOM 0 HA ASN A 31 -16.815 0.662 -2.494 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -19.210 -0.091 -0.766 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -18.990 1.459 -1.554 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -20.493 0.409 -4.528 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -20.084 1.703 -3.397 1.00 0.00 H new ATOM 405 N GLY A 32 -15.376 0.591 -0.128 1.00 0.00 N ATOM 406 CA GLY A 32 -14.711 1.164 1.027 1.00 0.00 C ATOM 407 C GLY A 32 -13.489 1.978 0.649 1.00 0.00 C ATOM 408 O GLY A 32 -13.564 3.200 0.520 1.00 0.00 O ATOM 0 H GLY A 32 -14.786 -0.003 -0.711 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -15.413 1.798 1.569 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -14.415 0.364 1.706 1.00 0.00 H new ATOM 412 N ARG A 33 -12.360 1.299 0.471 1.00 0.00 N ATOM 413 CA ARG A 33 -11.116 1.968 0.108 1.00 0.00 C ATOM 414 C ARG A 33 -10.352 1.162 -0.939 1.00 0.00 C ATOM 415 O ARG A 33 -10.688 0.011 -1.219 1.00 0.00 O ATOM 416 CB ARG A 33 -10.243 2.174 1.347 1.00 0.00 C ATOM 417 CG ARG A 33 -10.813 3.180 2.333 1.00 0.00 C ATOM 418 CD ARG A 33 -10.411 4.602 1.974 1.00 0.00 C ATOM 419 NE ARG A 33 -11.390 5.243 1.102 1.00 0.00 N ATOM 420 CZ ARG A 33 -12.503 5.818 1.544 1.00 0.00 C ATOM 421 NH1 ARG A 33 -12.776 5.831 2.841 1.00 0.00 N ATOM 422 NH2 ARG A 33 -13.346 6.382 0.687 1.00 0.00 N ATOM 0 H ARG A 33 -12.281 0.287 0.572 1.00 0.00 H new ATOM 0 HA ARG A 33 -11.365 2.940 -0.317 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.112 1.217 1.852 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.254 2.506 1.033 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -11.900 3.101 2.348 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -10.463 2.945 3.338 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -10.299 5.188 2.886 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.439 4.591 1.481 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.210 5.250 0.098 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -12.131 5.399 3.502 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -13.631 6.273 3.178 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.139 6.374 -0.312 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -14.200 6.823 1.027 1.00 0.00 H new ATOM 436 N LEU A 34 -9.322 1.775 -1.513 1.00 0.00 N ATOM 437 CA LEU A 34 -8.510 1.115 -2.529 1.00 0.00 C ATOM 438 C LEU A 34 -7.284 0.458 -1.904 1.00 0.00 C ATOM 439 O LEU A 34 -6.585 1.068 -1.093 1.00 0.00 O ATOM 440 CB LEU A 34 -8.074 2.123 -3.595 1.00 0.00 C ATOM 441 CG LEU A 34 -9.104 2.440 -4.680 1.00 0.00 C ATOM 442 CD1 LEU A 34 -10.118 3.455 -4.173 1.00 0.00 C ATOM 443 CD2 LEU A 34 -8.415 2.952 -5.936 1.00 0.00 C ATOM 0 H LEU A 34 -9.030 2.727 -1.292 1.00 0.00 H new ATOM 0 HA LEU A 34 -9.117 0.339 -2.996 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.802 3.054 -3.097 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.173 1.745 -4.077 1.00 0.00 H new ATOM 0 HG LEU A 34 -9.635 1.521 -4.930 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -10.843 3.668 -4.958 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -10.634 3.050 -3.303 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -9.604 4.375 -3.894 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.163 3.172 -6.697 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.858 3.859 -5.701 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -7.729 2.192 -6.310 1.00 0.00 H new ATOM 455 N ILE A 35 -7.027 -0.788 -2.287 1.00 0.00 N ATOM 456 CA ILE A 35 -5.883 -1.527 -1.766 1.00 0.00 C ATOM 457 C ILE A 35 -4.572 -0.951 -2.291 1.00 0.00 C ATOM 458 O ILE A 35 -4.316 -0.960 -3.495 1.00 0.00 O ATOM 459 CB ILE A 35 -5.961 -3.020 -2.137 1.00 0.00 C ATOM 460 CG1 ILE A 35 -7.207 -3.657 -1.519 1.00 0.00 C ATOM 461 CG2 ILE A 35 -4.705 -3.745 -1.678 1.00 0.00 C ATOM 462 CD1 ILE A 35 -7.196 -3.662 -0.006 1.00 0.00 C ATOM 0 H ILE A 35 -7.595 -1.307 -2.956 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.911 -1.429 -0.681 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.032 -3.107 -3.221 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.090 -3.120 -1.866 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.296 -4.683 -1.877 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.774 -4.799 -1.947 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.833 -3.304 -2.161 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.606 -3.652 -0.596 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.109 -4.128 0.363 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.332 -4.224 0.350 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.138 -2.637 0.361 1.00 0.00 H new ATOM 474 N VAL A 36 -3.744 -0.454 -1.378 1.00 0.00 N ATOM 475 CA VAL A 36 -2.457 0.123 -1.748 1.00 0.00 C ATOM 476 C VAL A 36 -1.304 -0.667 -1.138 1.00 0.00 C ATOM 477 O VAL A 36 -1.459 -1.307 -0.098 1.00 0.00 O ATOM 478 CB VAL A 36 -2.351 1.593 -1.299 1.00 0.00 C ATOM 479 CG1 VAL A 36 -3.178 2.490 -2.208 1.00 0.00 C ATOM 480 CG2 VAL A 36 -2.788 1.740 0.150 1.00 0.00 C ATOM 0 H VAL A 36 -3.941 -0.439 -0.377 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.391 0.077 -2.835 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.309 1.903 -1.373 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.091 3.524 -1.875 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.813 2.406 -3.232 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.223 2.183 -2.169 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.707 2.785 0.450 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.822 1.412 0.253 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.149 1.129 0.787 1.00 0.00 H new ATOM 490 N SER A 37 -0.148 -0.617 -1.792 1.00 0.00 N ATOM 491 CA SER A 37 1.030 -1.331 -1.315 1.00 0.00 C ATOM 492 C SER A 37 2.184 -0.366 -1.060 1.00 0.00 C ATOM 493 O SER A 37 2.293 0.676 -1.706 1.00 0.00 O ATOM 494 CB SER A 37 1.455 -2.393 -2.332 1.00 0.00 C ATOM 495 OG SER A 37 1.691 -1.816 -3.604 1.00 0.00 O ATOM 0 H SER A 37 -0.002 -0.090 -2.653 1.00 0.00 H new ATOM 0 HA SER A 37 0.772 -1.819 -0.375 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.358 -2.894 -1.983 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.679 -3.154 -2.413 1.00 0.00 H new ATOM 0 HG SER A 37 1.963 -2.515 -4.235 1.00 0.00 H new ATOM 501 N THR A 38 3.045 -0.721 -0.111 1.00 0.00 N ATOM 502 CA THR A 38 4.190 0.113 0.232 1.00 0.00 C ATOM 503 C THR A 38 5.501 -0.579 -0.124 1.00 0.00 C ATOM 504 O THR A 38 5.547 -1.800 -0.275 1.00 0.00 O ATOM 505 CB THR A 38 4.200 0.464 1.732 1.00 0.00 C ATOM 506 OG1 THR A 38 4.270 -0.733 2.515 1.00 0.00 O ATOM 507 CG2 THR A 38 2.954 1.251 2.111 1.00 0.00 C ATOM 0 H THR A 38 2.971 -1.580 0.433 1.00 0.00 H new ATOM 0 HA THR A 38 4.097 1.031 -0.348 1.00 0.00 H new ATOM 0 HB THR A 38 5.076 1.081 1.933 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.021 -0.671 3.141 1.00 0.00 H new ATOM 0 HG21 THR A 38 2.983 1.488 3.175 1.00 0.00 H new ATOM 0 HG22 THR A 38 2.918 2.175 1.534 1.00 0.00 H new ATOM 0 HG23 THR A 38 2.067 0.654 1.896 1.00 0.00 H new ATOM 515 N GLU A 39 6.564 0.208 -0.257 1.00 0.00 N ATOM 516 CA GLU A 39 7.875 -0.331 -0.596 1.00 0.00 C ATOM 517 C GLU A 39 8.498 -1.042 0.603 1.00 0.00 C ATOM 518 O GLU A 39 9.037 -2.141 0.475 1.00 0.00 O ATOM 519 CB GLU A 39 8.802 0.787 -1.077 1.00 0.00 C ATOM 520 CG GLU A 39 9.003 1.893 -0.055 1.00 0.00 C ATOM 521 CD GLU A 39 9.649 3.129 -0.651 1.00 0.00 C ATOM 522 OE1 GLU A 39 9.500 3.347 -1.871 1.00 0.00 O ATOM 523 OE2 GLU A 39 10.304 3.878 0.104 1.00 0.00 O ATOM 0 H GLU A 39 6.543 1.220 -0.135 1.00 0.00 H new ATOM 0 HA GLU A 39 7.744 -1.056 -1.399 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.771 0.359 -1.332 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.393 1.218 -1.991 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.039 2.164 0.376 1.00 0.00 H new ATOM 0 HG3 GLU A 39 9.623 1.521 0.760 1.00 0.00 H new ATOM 530 N CYS A 40 8.419 -0.406 1.767 1.00 0.00 N ATOM 531 CA CYS A 40 8.975 -0.975 2.989 1.00 0.00 C ATOM 532 C CYS A 40 8.731 -2.480 3.048 1.00 0.00 C ATOM 533 O CYS A 40 9.590 -3.242 3.488 1.00 0.00 O ATOM 534 CB CYS A 40 8.360 -0.299 4.216 1.00 0.00 C ATOM 535 SG CYS A 40 6.590 -0.655 4.453 1.00 0.00 S ATOM 0 H CYS A 40 7.975 0.504 1.890 1.00 0.00 H new ATOM 0 HA CYS A 40 10.051 -0.799 2.986 1.00 0.00 H new ATOM 0 HB2 CYS A 40 8.906 -0.617 5.104 1.00 0.00 H new ATOM 0 HB3 CYS A 40 8.494 0.779 4.129 1.00 0.00 H new ATOM 540 N GLY A 41 7.551 -2.901 2.600 1.00 0.00 N ATOM 541 CA GLY A 41 7.215 -4.312 2.611 1.00 0.00 C ATOM 542 C GLY A 41 5.964 -4.604 3.416 1.00 0.00 C ATOM 543 O GLY A 41 5.916 -5.577 4.171 1.00 0.00 O ATOM 0 H GLY A 41 6.823 -2.290 2.230 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.073 -4.656 1.587 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.050 -4.878 3.025 1.00 0.00 H new ATOM 547 N HIS A 42 4.950 -3.760 3.258 1.00 0.00 N ATOM 548 CA HIS A 42 3.693 -3.932 3.978 1.00 0.00 C ATOM 549 C HIS A 42 2.503 -3.625 3.074 1.00 0.00 C ATOM 550 O HIS A 42 2.665 -3.372 1.881 1.00 0.00 O ATOM 551 CB HIS A 42 3.659 -3.028 5.211 1.00 0.00 C ATOM 552 CG HIS A 42 4.518 -3.516 6.336 1.00 0.00 C ATOM 553 ND1 HIS A 42 5.405 -2.705 7.012 1.00 0.00 N ATOM 554 CD2 HIS A 42 4.622 -4.741 6.904 1.00 0.00 C ATOM 555 CE1 HIS A 42 6.018 -3.410 7.946 1.00 0.00 C ATOM 556 NE2 HIS A 42 5.561 -4.648 7.902 1.00 0.00 N ATOM 0 H HIS A 42 4.974 -2.950 2.638 1.00 0.00 H new ATOM 0 HA HIS A 42 3.625 -4.972 4.298 1.00 0.00 H new ATOM 0 HB2 HIS A 42 3.982 -2.027 4.926 1.00 0.00 H new ATOM 0 HB3 HIS A 42 2.630 -2.943 5.561 1.00 0.00 H new ATOM 0 HD2 HIS A 42 4.070 -5.626 6.624 1.00 0.00 H new ATOM 0 HE1 HIS A 42 6.766 -3.037 8.630 1.00 0.00 H new ATOM 0 HE2 HIS A 42 5.857 -5.411 8.510 1.00 0.00 H new ATOM 564 N VAL A 43 1.305 -3.651 3.651 1.00 0.00 N ATOM 565 CA VAL A 43 0.088 -3.375 2.898 1.00 0.00 C ATOM 566 C VAL A 43 -0.841 -2.448 3.675 1.00 0.00 C ATOM 567 O VAL A 43 -0.944 -2.538 4.899 1.00 0.00 O ATOM 568 CB VAL A 43 -0.668 -4.673 2.558 1.00 0.00 C ATOM 569 CG1 VAL A 43 -1.926 -4.366 1.760 1.00 0.00 C ATOM 570 CG2 VAL A 43 0.236 -5.631 1.796 1.00 0.00 C ATOM 0 H VAL A 43 1.152 -3.860 4.637 1.00 0.00 H new ATOM 0 HA VAL A 43 0.393 -2.887 1.972 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.967 -5.154 3.490 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.446 -5.296 1.529 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.580 -3.720 2.346 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.655 -3.862 0.832 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.314 -6.543 1.564 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.566 -5.161 0.870 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.104 -5.877 2.408 1.00 0.00 H new ATOM 580 N PHE A 44 -1.516 -1.557 2.956 1.00 0.00 N ATOM 581 CA PHE A 44 -2.436 -0.613 3.577 1.00 0.00 C ATOM 582 C PHE A 44 -3.515 -0.175 2.591 1.00 0.00 C ATOM 583 O PHE A 44 -3.541 -0.622 1.443 1.00 0.00 O ATOM 584 CB PHE A 44 -1.675 0.610 4.093 1.00 0.00 C ATOM 585 CG PHE A 44 -0.631 0.277 5.120 1.00 0.00 C ATOM 586 CD1 PHE A 44 -0.951 0.249 6.468 1.00 0.00 C ATOM 587 CD2 PHE A 44 0.670 -0.009 4.738 1.00 0.00 C ATOM 588 CE1 PHE A 44 0.008 -0.056 7.416 1.00 0.00 C ATOM 589 CE2 PHE A 44 1.633 -0.316 5.681 1.00 0.00 C ATOM 590 CZ PHE A 44 1.301 -0.340 7.022 1.00 0.00 C ATOM 0 H PHE A 44 -1.443 -1.469 1.942 1.00 0.00 H new ATOM 0 HA PHE A 44 -2.918 -1.114 4.417 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -1.198 1.113 3.252 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -2.386 1.315 4.524 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -1.961 0.468 6.782 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.935 0.008 3.691 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.254 -0.072 8.464 1.00 0.00 H new ATOM 0 HE2 PHE A 44 2.643 -0.537 5.370 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.051 -0.580 7.761 1.00 0.00 H new ATOM 600 N CYS A 45 -4.404 0.701 3.046 1.00 0.00 N ATOM 601 CA CYS A 45 -5.487 1.199 2.206 1.00 0.00 C ATOM 602 C CYS A 45 -5.222 2.639 1.774 1.00 0.00 C ATOM 603 O CYS A 45 -4.528 3.386 2.463 1.00 0.00 O ATOM 604 CB CYS A 45 -6.820 1.116 2.952 1.00 0.00 C ATOM 605 SG CYS A 45 -7.046 -0.424 3.899 1.00 0.00 S ATOM 0 H CYS A 45 -4.396 1.081 3.992 1.00 0.00 H new ATOM 0 HA CYS A 45 -5.538 0.574 1.315 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -6.897 1.964 3.633 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -7.633 1.211 2.233 1.00 0.00 H new ATOM 610 N SER A 46 -5.780 3.020 0.630 1.00 0.00 N ATOM 611 CA SER A 46 -5.602 4.368 0.104 1.00 0.00 C ATOM 612 C SER A 46 -5.623 5.398 1.230 1.00 0.00 C ATOM 613 O SER A 46 -4.594 5.980 1.571 1.00 0.00 O ATOM 614 CB SER A 46 -6.696 4.690 -0.916 1.00 0.00 C ATOM 615 OG SER A 46 -6.660 6.056 -1.288 1.00 0.00 O ATOM 0 H SER A 46 -6.360 2.414 0.049 1.00 0.00 H new ATOM 0 HA SER A 46 -4.631 4.413 -0.389 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.568 4.066 -1.800 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.672 4.450 -0.495 1.00 0.00 H new ATOM 0 HG SER A 46 -7.368 6.236 -1.942 1.00 0.00 H new ATOM 621 N GLN A 47 -6.802 5.615 1.803 1.00 0.00 N ATOM 622 CA GLN A 47 -6.958 6.574 2.890 1.00 0.00 C ATOM 623 C GLN A 47 -6.025 6.240 4.049 1.00 0.00 C ATOM 624 O GLN A 47 -5.097 6.991 4.349 1.00 0.00 O ATOM 625 CB GLN A 47 -8.408 6.594 3.377 1.00 0.00 C ATOM 626 CG GLN A 47 -8.712 7.733 4.337 1.00 0.00 C ATOM 627 CD GLN A 47 -8.256 9.079 3.809 1.00 0.00 C ATOM 628 OE1 GLN A 47 -7.101 9.468 3.983 1.00 0.00 O ATOM 629 NE2 GLN A 47 -9.164 9.798 3.159 1.00 0.00 N ATOM 0 H GLN A 47 -7.663 5.140 1.533 1.00 0.00 H new ATOM 0 HA GLN A 47 -6.696 7.561 2.510 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -9.071 6.670 2.515 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.631 5.647 3.868 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -9.785 7.766 4.527 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -8.225 7.538 5.292 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -10.110 9.436 3.038 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -8.915 10.712 2.781 1.00 0.00 H new ATOM 638 N CYS A 48 -6.277 5.108 4.697 1.00 0.00 N ATOM 639 CA CYS A 48 -5.460 4.673 5.824 1.00 0.00 C ATOM 640 C CYS A 48 -4.008 5.103 5.641 1.00 0.00 C ATOM 641 O CYS A 48 -3.479 5.893 6.425 1.00 0.00 O ATOM 642 CB CYS A 48 -5.538 3.153 5.981 1.00 0.00 C ATOM 643 SG CYS A 48 -7.222 2.519 6.260 1.00 0.00 S ATOM 0 H CYS A 48 -7.041 4.475 4.461 1.00 0.00 H new ATOM 0 HA CYS A 48 -5.849 5.145 6.726 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.129 2.685 5.086 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -4.905 2.852 6.816 1.00 0.00 H new ATOM 648 N LEU A 49 -3.368 4.580 4.602 1.00 0.00 N ATOM 649 CA LEU A 49 -1.976 4.909 4.315 1.00 0.00 C ATOM 650 C LEU A 49 -1.775 6.420 4.258 1.00 0.00 C ATOM 651 O LEU A 49 -0.985 6.980 5.019 1.00 0.00 O ATOM 652 CB LEU A 49 -1.544 4.275 2.991 1.00 0.00 C ATOM 653 CG LEU A 49 -0.038 4.223 2.732 1.00 0.00 C ATOM 654 CD1 LEU A 49 0.689 3.623 3.926 1.00 0.00 C ATOM 655 CD2 LEU A 49 0.259 3.427 1.469 1.00 0.00 C ATOM 0 H LEU A 49 -3.791 3.926 3.943 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.360 4.509 5.120 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.934 3.258 2.954 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.014 4.827 2.177 1.00 0.00 H new ATOM 0 HG LEU A 49 0.322 5.242 2.588 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.760 3.594 3.723 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.503 4.234 4.810 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.326 2.611 4.102 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.336 3.401 1.300 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.115 2.410 1.584 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.230 3.900 0.617 1.00 0.00 H new ATOM 667 N ARG A 50 -2.495 7.074 3.353 1.00 0.00 N ATOM 668 CA ARG A 50 -2.397 8.520 3.198 1.00 0.00 C ATOM 669 C ARG A 50 -2.410 9.215 4.556 1.00 0.00 C ATOM 670 O ARG A 50 -1.668 10.171 4.783 1.00 0.00 O ATOM 671 CB ARG A 50 -3.547 9.042 2.335 1.00 0.00 C ATOM 672 CG ARG A 50 -3.377 10.489 1.902 1.00 0.00 C ATOM 673 CD ARG A 50 -4.598 10.993 1.149 1.00 0.00 C ATOM 674 NE ARG A 50 -4.370 12.307 0.554 1.00 0.00 N ATOM 675 CZ ARG A 50 -4.302 13.431 1.258 1.00 0.00 C ATOM 676 NH1 ARG A 50 -4.443 13.401 2.576 1.00 0.00 N ATOM 677 NH2 ARG A 50 -4.092 14.588 0.644 1.00 0.00 N ATOM 0 H ARG A 50 -3.153 6.625 2.716 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.451 8.743 2.704 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -3.638 8.415 1.448 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.480 8.945 2.891 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -3.205 11.114 2.778 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.495 10.579 1.268 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -4.861 10.281 0.366 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -5.448 11.046 1.830 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.257 12.365 -0.458 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -4.604 12.513 3.052 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -4.390 14.266 3.114 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.983 14.615 -0.370 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -4.040 15.451 1.186 1.00 0.00 H new ATOM 691 N ASP A 51 -3.259 8.729 5.455 1.00 0.00 N ATOM 692 CA ASP A 51 -3.369 9.302 6.791 1.00 0.00 C ATOM 693 C ASP A 51 -2.041 9.204 7.536 1.00 0.00 C ATOM 694 O ASP A 51 -1.623 10.148 8.207 1.00 0.00 O ATOM 695 CB ASP A 51 -4.467 8.593 7.585 1.00 0.00 C ATOM 696 CG ASP A 51 -4.902 9.382 8.804 1.00 0.00 C ATOM 697 OD1 ASP A 51 -5.432 10.499 8.629 1.00 0.00 O ATOM 698 OD2 ASP A 51 -4.712 8.883 9.933 1.00 0.00 O ATOM 0 H ASP A 51 -3.881 7.939 5.282 1.00 0.00 H new ATOM 0 HA ASP A 51 -3.630 10.355 6.687 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.328 8.425 6.938 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.109 7.613 7.899 1.00 0.00 H new ATOM 703 N SER A 52 -1.384 8.056 7.414 1.00 0.00 N ATOM 704 CA SER A 52 -0.105 7.832 8.079 1.00 0.00 C ATOM 705 C SER A 52 0.995 8.672 7.437 1.00 0.00 C ATOM 706 O SER A 52 1.965 9.053 8.095 1.00 0.00 O ATOM 707 CB SER A 52 0.270 6.350 8.023 1.00 0.00 C ATOM 708 OG SER A 52 1.509 6.113 8.670 1.00 0.00 O ATOM 0 H SER A 52 -1.716 7.266 6.861 1.00 0.00 H new ATOM 0 HA SER A 52 -0.207 8.134 9.121 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.511 5.756 8.497 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.331 6.026 6.984 1.00 0.00 H new ATOM 0 HG SER A 52 1.366 5.537 9.450 1.00 0.00 H new ATOM 714 N LEU A 53 0.838 8.956 6.149 1.00 0.00 N ATOM 715 CA LEU A 53 1.818 9.751 5.417 1.00 0.00 C ATOM 716 C LEU A 53 1.660 11.235 5.732 1.00 0.00 C ATOM 717 O LEU A 53 2.646 11.954 5.897 1.00 0.00 O ATOM 718 CB LEU A 53 1.670 9.519 3.912 1.00 0.00 C ATOM 719 CG LEU A 53 2.269 8.220 3.372 1.00 0.00 C ATOM 720 CD1 LEU A 53 3.716 8.074 3.816 1.00 0.00 C ATOM 721 CD2 LEU A 53 1.446 7.023 3.827 1.00 0.00 C ATOM 0 H LEU A 53 0.042 8.648 5.590 1.00 0.00 H new ATOM 0 HA LEU A 53 2.813 9.436 5.731 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.609 9.537 3.664 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.134 10.355 3.388 1.00 0.00 H new ATOM 0 HG LEU A 53 2.247 8.258 2.283 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.125 7.144 3.422 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.299 8.915 3.440 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.763 8.059 4.905 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.887 6.107 3.433 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.435 6.982 4.916 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.425 7.122 3.458 1.00 0.00 H new ATOM 733 N LYS A 54 0.414 11.688 5.815 1.00 0.00 N ATOM 734 CA LYS A 54 0.125 13.085 6.114 1.00 0.00 C ATOM 735 C LYS A 54 0.435 13.405 7.572 1.00 0.00 C ATOM 736 O LYS A 54 0.990 14.459 7.882 1.00 0.00 O ATOM 737 CB LYS A 54 -1.342 13.400 5.812 1.00 0.00 C ATOM 738 CG LYS A 54 -2.303 12.897 6.875 1.00 0.00 C ATOM 739 CD LYS A 54 -3.731 13.327 6.585 1.00 0.00 C ATOM 740 CE LYS A 54 -3.978 14.766 7.014 1.00 0.00 C ATOM 741 NZ LYS A 54 -5.048 15.410 6.204 1.00 0.00 N ATOM 0 H LYS A 54 -0.413 11.107 5.679 1.00 0.00 H new ATOM 0 HA LYS A 54 0.761 13.705 5.482 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.460 14.479 5.709 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.610 12.957 4.853 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.253 11.809 6.926 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.999 13.277 7.850 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.934 13.224 5.519 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.424 12.667 7.106 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.257 14.788 8.067 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.055 15.338 6.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.186 16.389 6.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.771 15.412 5.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.935 14.880 6.317 1.00 0.00 H new ATOM 755 N ASN A 55 0.074 12.488 8.464 1.00 0.00 N ATOM 756 CA ASN A 55 0.316 12.673 9.891 1.00 0.00 C ATOM 757 C ASN A 55 1.800 12.535 10.214 1.00 0.00 C ATOM 758 O ASN A 55 2.333 13.260 11.054 1.00 0.00 O ATOM 759 CB ASN A 55 -0.491 11.656 10.701 1.00 0.00 C ATOM 760 CG ASN A 55 0.296 10.393 10.991 1.00 0.00 C ATOM 761 OD1 ASN A 55 0.857 9.777 10.084 1.00 0.00 O ATOM 762 ND2 ASN A 55 0.341 10.001 12.259 1.00 0.00 N ATOM 0 H ASN A 55 -0.387 11.610 8.224 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.003 13.679 10.161 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -0.803 12.110 11.641 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -1.398 11.398 10.155 1.00 0.00 H new ATOM 0 HD21 ASN A 55 0.856 9.158 12.514 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.139 10.543 12.978 1.00 0.00 H new ATOM 769 N ALA A 56 2.462 11.601 9.540 1.00 0.00 N ATOM 770 CA ALA A 56 3.886 11.369 9.753 1.00 0.00 C ATOM 771 C ALA A 56 4.563 10.898 8.471 1.00 0.00 C ATOM 772 O ALA A 56 3.898 10.590 7.484 1.00 0.00 O ATOM 773 CB ALA A 56 4.095 10.354 10.867 1.00 0.00 C ATOM 0 H ALA A 56 2.035 10.992 8.842 1.00 0.00 H new ATOM 0 HA ALA A 56 4.343 12.314 10.048 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.163 10.191 11.015 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.654 10.731 11.790 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.618 9.412 10.595 1.00 0.00 H new ATOM 779 N ASN A 57 5.891 10.845 8.494 1.00 0.00 N ATOM 780 CA ASN A 57 6.659 10.412 7.332 1.00 0.00 C ATOM 781 C ASN A 57 7.321 9.061 7.590 1.00 0.00 C ATOM 782 O ASN A 57 8.528 8.904 7.407 1.00 0.00 O ATOM 783 CB ASN A 57 7.722 11.454 6.980 1.00 0.00 C ATOM 784 CG ASN A 57 8.541 11.057 5.767 1.00 0.00 C ATOM 785 OD1 ASN A 57 8.202 10.111 5.057 1.00 0.00 O ATOM 786 ND2 ASN A 57 9.628 11.782 5.525 1.00 0.00 N ATOM 0 H ASN A 57 6.457 11.096 9.304 1.00 0.00 H new ATOM 0 HA ASN A 57 5.972 10.306 6.493 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.239 12.413 6.791 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.386 11.594 7.833 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.219 11.563 4.723 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.871 12.558 6.141 1.00 0.00 H new ATOM 793 N THR A 58 6.521 8.088 8.015 1.00 0.00 N ATOM 794 CA THR A 58 7.028 6.751 8.299 1.00 0.00 C ATOM 795 C THR A 58 5.907 5.720 8.269 1.00 0.00 C ATOM 796 O THR A 58 4.726 6.071 8.259 1.00 0.00 O ATOM 797 CB THR A 58 7.727 6.695 9.671 1.00 0.00 C ATOM 798 OG1 THR A 58 6.884 7.274 10.673 1.00 0.00 O ATOM 799 CG2 THR A 58 9.057 7.431 9.632 1.00 0.00 C ATOM 0 H THR A 58 5.519 8.201 8.170 1.00 0.00 H new ATOM 0 HA THR A 58 7.754 6.516 7.520 1.00 0.00 H new ATOM 0 HB THR A 58 7.917 5.650 9.915 1.00 0.00 H new ATOM 0 HG1 THR A 58 7.334 7.233 11.543 1.00 0.00 H new ATOM 0 HG21 THR A 58 9.531 7.377 10.612 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.707 6.969 8.889 1.00 0.00 H new ATOM 0 HG23 THR A 58 8.888 8.475 9.367 1.00 0.00 H new ATOM 807 N CYS A 59 6.281 4.445 8.256 1.00 0.00 N ATOM 808 CA CYS A 59 5.307 3.361 8.228 1.00 0.00 C ATOM 809 C CYS A 59 4.818 3.032 9.636 1.00 0.00 C ATOM 810 O CYS A 59 5.599 2.929 10.583 1.00 0.00 O ATOM 811 CB CYS A 59 5.917 2.115 7.584 1.00 0.00 C ATOM 812 SG CYS A 59 4.756 0.722 7.413 1.00 0.00 S ATOM 0 H CYS A 59 7.253 4.137 8.264 1.00 0.00 H new ATOM 0 HA CYS A 59 4.454 3.688 7.633 1.00 0.00 H new ATOM 0 HB2 CYS A 59 6.299 2.379 6.598 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.770 1.792 8.180 1.00 0.00 H new ATOM 817 N PRO A 60 3.495 2.863 9.779 1.00 0.00 N ATOM 818 CA PRO A 60 2.872 2.543 11.066 1.00 0.00 C ATOM 819 C PRO A 60 3.202 1.130 11.534 1.00 0.00 C ATOM 820 O PRO A 60 2.652 0.647 12.525 1.00 0.00 O ATOM 821 CB PRO A 60 1.375 2.675 10.779 1.00 0.00 C ATOM 822 CG PRO A 60 1.247 2.431 9.315 1.00 0.00 C ATOM 823 CD PRO A 60 2.506 2.971 8.694 1.00 0.00 C ATOM 0 HA PRO A 60 3.226 3.197 11.863 1.00 0.00 H new ATOM 0 HB2 PRO A 60 0.797 1.951 11.353 1.00 0.00 H new ATOM 0 HB3 PRO A 60 1.006 3.664 11.049 1.00 0.00 H new ATOM 0 HG2 PRO A 60 1.133 1.367 9.105 1.00 0.00 H new ATOM 0 HG3 PRO A 60 0.367 2.932 8.911 1.00 0.00 H new ATOM 0 HD2 PRO A 60 2.803 2.392 7.820 1.00 0.00 H new ATOM 0 HD3 PRO A 60 2.381 4.003 8.365 1.00 0.00 H new ATOM 831 N THR A 61 4.105 0.469 10.816 1.00 0.00 N ATOM 832 CA THR A 61 4.508 -0.890 11.157 1.00 0.00 C ATOM 833 C THR A 61 6.012 -0.975 11.389 1.00 0.00 C ATOM 834 O THR A 61 6.468 -1.135 12.522 1.00 0.00 O ATOM 835 CB THR A 61 4.113 -1.887 10.052 1.00 0.00 C ATOM 836 OG1 THR A 61 2.754 -1.668 9.656 1.00 0.00 O ATOM 837 CG2 THR A 61 4.282 -3.321 10.531 1.00 0.00 C ATOM 0 H THR A 61 4.571 0.853 9.994 1.00 0.00 H new ATOM 0 HA THR A 61 3.986 -1.153 12.077 1.00 0.00 H new ATOM 0 HB THR A 61 4.770 -1.726 9.197 1.00 0.00 H new ATOM 0 HG1 THR A 61 2.512 -2.305 8.952 1.00 0.00 H new ATOM 0 HG21 THR A 61 3.997 -4.007 9.733 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.323 -3.493 10.803 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.647 -3.491 11.400 1.00 0.00 H new ATOM 845 N CYS A 62 6.780 -0.867 10.310 1.00 0.00 N ATOM 846 CA CYS A 62 8.234 -0.932 10.395 1.00 0.00 C ATOM 847 C CYS A 62 8.810 0.398 10.871 1.00 0.00 C ATOM 848 O CYS A 62 9.935 0.456 11.368 1.00 0.00 O ATOM 849 CB CYS A 62 8.829 -1.301 9.035 1.00 0.00 C ATOM 850 SG CYS A 62 8.144 -0.349 7.641 1.00 0.00 S ATOM 0 H CYS A 62 6.419 -0.734 9.365 1.00 0.00 H new ATOM 0 HA CYS A 62 8.497 -1.702 11.120 1.00 0.00 H new ATOM 0 HB2 CYS A 62 9.908 -1.150 9.069 1.00 0.00 H new ATOM 0 HB3 CYS A 62 8.662 -2.363 8.853 1.00 0.00 H new ATOM 855 N ARG A 63 8.031 1.464 10.717 1.00 0.00 N ATOM 856 CA ARG A 63 8.464 2.793 11.130 1.00 0.00 C ATOM 857 C ARG A 63 9.724 3.212 10.379 1.00 0.00 C ATOM 858 O ARG A 63 10.649 3.779 10.962 1.00 0.00 O ATOM 859 CB ARG A 63 8.723 2.823 12.638 1.00 0.00 C ATOM 860 CG ARG A 63 7.459 2.715 13.475 1.00 0.00 C ATOM 861 CD ARG A 63 6.826 4.078 13.705 1.00 0.00 C ATOM 862 NE ARG A 63 7.491 4.817 14.775 1.00 0.00 N ATOM 863 CZ ARG A 63 7.277 4.592 16.067 1.00 0.00 C ATOM 864 NH1 ARG A 63 6.421 3.654 16.447 1.00 0.00 N ATOM 865 NH2 ARG A 63 7.921 5.306 16.981 1.00 0.00 N ATOM 0 H ARG A 63 7.097 1.433 10.309 1.00 0.00 H new ATOM 0 HA ARG A 63 7.668 3.498 10.891 1.00 0.00 H new ATOM 0 HB2 ARG A 63 9.393 2.004 12.899 1.00 0.00 H new ATOM 0 HB3 ARG A 63 9.238 3.749 12.891 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.745 2.061 12.975 1.00 0.00 H new ATOM 0 HG3 ARG A 63 7.695 2.255 14.435 1.00 0.00 H new ATOM 0 HD2 ARG A 63 6.869 4.658 12.783 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.772 3.951 13.953 1.00 0.00 H new ATOM 0 HE ARG A 63 8.156 5.546 14.516 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.925 3.103 15.747 1.00 0.00 H new ATOM 0 HH12 ARG A 63 6.259 3.483 17.439 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.581 6.028 16.692 1.00 0.00 H new ATOM 0 HH22 ARG A 63 7.756 5.133 17.973 1.00 0.00 H new ATOM 879 N LYS A 64 9.754 2.930 9.081 1.00 0.00 N ATOM 880 CA LYS A 64 10.900 3.278 8.248 1.00 0.00 C ATOM 881 C LYS A 64 10.679 4.616 7.551 1.00 0.00 C ATOM 882 O LYS A 64 9.572 5.155 7.554 1.00 0.00 O ATOM 883 CB LYS A 64 11.151 2.184 7.208 1.00 0.00 C ATOM 884 CG LYS A 64 12.622 1.962 6.901 1.00 0.00 C ATOM 885 CD LYS A 64 12.813 0.927 5.805 1.00 0.00 C ATOM 886 CE LYS A 64 14.264 0.481 5.707 1.00 0.00 C ATOM 887 NZ LYS A 64 14.546 -0.207 4.417 1.00 0.00 N ATOM 0 H LYS A 64 8.998 2.461 8.582 1.00 0.00 H new ATOM 0 HA LYS A 64 11.774 3.365 8.893 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.718 1.249 7.564 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.631 2.445 6.286 1.00 0.00 H new ATOM 0 HG2 LYS A 64 13.077 2.904 6.596 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.138 1.636 7.804 1.00 0.00 H new ATOM 0 HD2 LYS A 64 12.178 0.063 6.004 1.00 0.00 H new ATOM 0 HD3 LYS A 64 12.494 1.344 4.850 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.918 1.347 5.807 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.495 -0.190 6.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 15.545 -0.496 4.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.940 -1.048 4.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 14.350 0.441 3.628 1.00 0.00 H new ATOM 901 N LYS A 65 11.739 5.148 6.951 1.00 0.00 N ATOM 902 CA LYS A 65 11.661 6.422 6.247 1.00 0.00 C ATOM 903 C LYS A 65 11.006 6.249 4.880 1.00 0.00 C ATOM 904 O LYS A 65 11.580 6.618 3.855 1.00 0.00 O ATOM 905 CB LYS A 65 13.059 7.023 6.081 1.00 0.00 C ATOM 906 CG LYS A 65 13.452 7.965 7.206 1.00 0.00 C ATOM 907 CD LYS A 65 13.589 7.229 8.528 1.00 0.00 C ATOM 908 CE LYS A 65 14.552 6.057 8.416 1.00 0.00 C ATOM 909 NZ LYS A 65 15.264 5.800 9.699 1.00 0.00 N ATOM 0 H LYS A 65 12.663 4.716 6.939 1.00 0.00 H new ATOM 0 HA LYS A 65 11.048 7.100 6.841 1.00 0.00 H new ATOM 0 HB2 LYS A 65 13.788 6.215 6.023 1.00 0.00 H new ATOM 0 HB3 LYS A 65 13.104 7.562 5.134 1.00 0.00 H new ATOM 0 HG2 LYS A 65 14.396 8.452 6.961 1.00 0.00 H new ATOM 0 HG3 LYS A 65 12.703 8.751 7.302 1.00 0.00 H new ATOM 0 HD2 LYS A 65 13.941 7.919 9.295 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.611 6.869 8.848 1.00 0.00 H new ATOM 0 HE2 LYS A 65 14.003 5.163 8.120 1.00 0.00 H new ATOM 0 HE3 LYS A 65 15.280 6.259 7.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 15.911 4.994 9.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 15.808 6.644 9.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 14.571 5.582 10.443 1.00 0.00 H new ATOM 923 N ILE A 66 9.801 5.687 4.874 1.00 0.00 N ATOM 924 CA ILE A 66 9.068 5.469 3.633 1.00 0.00 C ATOM 925 C ILE A 66 8.695 6.793 2.974 1.00 0.00 C ATOM 926 O ILE A 66 8.191 7.703 3.630 1.00 0.00 O ATOM 927 CB ILE A 66 7.787 4.649 3.874 1.00 0.00 C ATOM 928 CG1 ILE A 66 6.955 5.279 4.993 1.00 0.00 C ATOM 929 CG2 ILE A 66 8.136 3.208 4.213 1.00 0.00 C ATOM 930 CD1 ILE A 66 5.526 4.783 5.037 1.00 0.00 C ATOM 0 H ILE A 66 9.313 5.375 5.713 1.00 0.00 H new ATOM 0 HA ILE A 66 9.729 4.910 2.970 1.00 0.00 H new ATOM 0 HB ILE A 66 7.194 4.653 2.960 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.433 5.072 5.951 1.00 0.00 H new ATOM 0 HG13 ILE A 66 6.951 6.362 4.867 1.00 0.00 H new ATOM 0 HG21 ILE A 66 7.220 2.642 4.381 1.00 0.00 H new ATOM 0 HG22 ILE A 66 8.691 2.764 3.387 1.00 0.00 H new ATOM 0 HG23 ILE A 66 8.747 3.184 5.115 1.00 0.00 H new ATOM 0 HD11 ILE A 66 4.996 5.272 5.854 1.00 0.00 H new ATOM 0 HD12 ILE A 66 5.031 5.015 4.094 1.00 0.00 H new ATOM 0 HD13 ILE A 66 5.520 3.704 5.195 1.00 0.00 H new ATOM 942 N ASN A 67 8.945 6.891 1.673 1.00 0.00 N ATOM 943 CA ASN A 67 8.634 8.103 0.924 1.00 0.00 C ATOM 944 C ASN A 67 8.802 7.875 -0.575 1.00 0.00 C ATOM 945 O ASN A 67 9.915 7.669 -1.062 1.00 0.00 O ATOM 946 CB ASN A 67 9.533 9.254 1.380 1.00 0.00 C ATOM 947 CG ASN A 67 9.056 10.599 0.868 1.00 0.00 C ATOM 948 OD1 ASN A 67 9.652 11.061 -0.225 1.00 0.00 O flip ATOM 949 ND2 ASN A 67 8.161 11.214 1.448 1.00 0.00 N flip ATOM 0 H ASN A 67 9.362 6.146 1.115 1.00 0.00 H new ATOM 0 HA ASN A 67 7.594 8.364 1.119 1.00 0.00 H new ATOM 0 HB2 ASN A 67 9.568 9.275 2.469 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.551 9.076 1.032 1.00 0.00 H new ATOM 0 HD21 ASN A 67 7.731 10.820 2.285 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.849 12.117 1.091 1.00 0.00 H new ATOM 956 N HIS A 68 7.691 7.913 -1.303 1.00 0.00 N ATOM 957 CA HIS A 68 7.715 7.712 -2.747 1.00 0.00 C ATOM 958 C HIS A 68 8.380 8.892 -3.449 1.00 0.00 C ATOM 959 O HIS A 68 7.716 9.856 -3.830 1.00 0.00 O ATOM 960 CB HIS A 68 6.295 7.521 -3.280 1.00 0.00 C ATOM 961 CG HIS A 68 6.240 6.806 -4.596 1.00 0.00 C ATOM 962 ND1 HIS A 68 6.846 7.285 -5.738 1.00 0.00 N ATOM 963 CD2 HIS A 68 5.648 5.641 -4.946 1.00 0.00 C ATOM 964 CE1 HIS A 68 6.627 6.446 -6.735 1.00 0.00 C ATOM 965 NE2 HIS A 68 5.903 5.439 -6.280 1.00 0.00 N ATOM 0 H HIS A 68 6.762 8.081 -0.916 1.00 0.00 H new ATOM 0 HA HIS A 68 8.297 6.814 -2.954 1.00 0.00 H new ATOM 0 HB2 HIS A 68 5.713 6.962 -2.547 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.821 8.497 -3.386 1.00 0.00 H new ATOM 0 HD2 HIS A 68 5.080 4.991 -4.297 1.00 0.00 H new ATOM 0 HE1 HIS A 68 6.980 6.563 -7.749 1.00 0.00 H new ATOM 0 HE2 HIS A 68 5.585 4.641 -6.830 1.00 0.00 H new ATOM 973 N LYS A 69 9.696 8.810 -3.616 1.00 0.00 N ATOM 974 CA LYS A 69 10.452 9.870 -4.272 1.00 0.00 C ATOM 975 C LYS A 69 11.584 9.289 -5.114 1.00 0.00 C ATOM 976 O LYS A 69 12.062 8.198 -4.809 1.00 0.00 O ATOM 977 CB LYS A 69 11.020 10.838 -3.232 1.00 0.00 C ATOM 978 CG LYS A 69 11.695 12.056 -3.840 1.00 0.00 C ATOM 979 CD LYS A 69 13.165 11.796 -4.121 1.00 0.00 C ATOM 980 CE LYS A 69 13.804 12.959 -4.865 1.00 0.00 C ATOM 981 NZ LYS A 69 15.289 12.855 -4.885 1.00 0.00 N ATOM 0 H LYS A 69 10.261 8.020 -3.306 1.00 0.00 H new ATOM 0 HA LYS A 69 9.774 10.412 -4.931 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.214 11.169 -2.577 1.00 0.00 H new ATOM 0 HB3 LYS A 69 11.740 10.307 -2.609 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.189 12.329 -4.766 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.598 12.904 -3.162 1.00 0.00 H new ATOM 0 HD2 LYS A 69 13.692 11.630 -3.182 1.00 0.00 H new ATOM 0 HD3 LYS A 69 13.268 10.885 -4.710 1.00 0.00 H new ATOM 0 HE2 LYS A 69 13.428 12.986 -5.888 1.00 0.00 H new ATOM 0 HE3 LYS A 69 13.512 13.897 -4.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 15.687 13.666 -5.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 15.650 12.854 -3.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 15.569 11.972 -5.358 1.00 0.00 H new TER 995 LYS A 69 HETATM 996 ZN ZN A 201 -7.108 0.312 6.115 1.00 0.00 ZN HETATM 997 ZN ZN A 401 6.231 -1.007 6.740 1.00 0.00 ZN