USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 570 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 TYR OH : rot 18:sc= 0.452 USER MOD Set 1.2: A 49 SER OG : rot 92:sc= 1.65 USER MOD Set 2.1: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 33 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 14 SER OG : rot -125:sc= 1.22 USER MOD Set 3.2: A 16 SER OG : rot 180:sc= 1.09 USER MOD Single : A 3 LYS NZ :NH3+ 173:sc= 1.18 (180deg=1.14) USER MOD Single : A 5 THR OG1 : rot 92:sc= 0.51 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot -1:sc= 0.651 USER MOD Single : A 18 ASN : amide:sc= -0.519! C(o=-0.52!,f=-11!) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 1.16 (180deg=1.16) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= 0.678 K(o=0.68,f=-6.7!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.224 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 175:sc= 1.22 (180deg=1.19) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc=-0.00448 X(o=-0.0045,f=0) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 60 LYS NZ :NH3+ -177:sc= 0.879 (180deg=0.872) USER MOD Single : A 64 TYR OH : rot -32:sc= -0.15 USER MOD Single : A 66 GLN : amide:sc= 0.518 K(o=0.52,f=-0.39) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 11 N VAL A 2 -3.811 -13.620 -6.672 1.00 0.00 N ATOM 12 CA VAL A 2 -3.224 -12.286 -6.686 1.00 0.00 C ATOM 13 C VAL A 2 -2.572 -11.985 -8.030 1.00 0.00 C ATOM 14 O VAL A 2 -1.487 -12.485 -8.331 1.00 0.00 O ATOM 15 CB VAL A 2 -2.172 -12.152 -5.568 1.00 0.00 C ATOM 16 CG1 VAL A 2 -1.575 -10.753 -5.561 1.00 0.00 C ATOM 17 CG2 VAL A 2 -2.803 -12.477 -4.223 1.00 0.00 C ATOM 0 HA VAL A 2 -4.028 -11.569 -6.519 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.365 -12.860 -5.755 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.834 -10.677 -4.765 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -1.097 -10.556 -6.521 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.365 -10.021 -5.392 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.054 -12.380 -3.437 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.623 -11.786 -4.029 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -3.184 -13.498 -4.237 1.00 0.00 H new ATOM 27 N LYS A 3 -3.240 -11.167 -8.836 1.00 0.00 N ATOM 28 CA LYS A 3 -2.760 -10.852 -10.175 1.00 0.00 C ATOM 29 C LYS A 3 -1.535 -9.948 -10.124 1.00 0.00 C ATOM 30 O LYS A 3 -0.460 -10.314 -10.597 1.00 0.00 O ATOM 31 CB LYS A 3 -3.867 -10.190 -10.999 1.00 0.00 C ATOM 32 CG LYS A 3 -3.470 -9.852 -12.430 1.00 0.00 C ATOM 33 CD LYS A 3 -4.643 -9.274 -13.208 1.00 0.00 C ATOM 34 CE LYS A 3 -4.228 -8.859 -14.611 1.00 0.00 C ATOM 35 NZ LYS A 3 -5.369 -8.301 -15.386 1.00 0.00 N ATOM 0 H LYS A 3 -4.116 -10.710 -8.584 1.00 0.00 H new ATOM 0 HA LYS A 3 -2.473 -11.788 -10.654 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.732 -10.853 -11.022 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -4.180 -9.275 -10.496 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -2.648 -9.136 -12.422 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.106 -10.749 -12.930 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -5.442 -10.013 -13.267 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -5.045 -8.412 -12.676 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.433 -8.116 -14.549 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.818 -9.721 -15.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -5.022 -7.922 -16.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -6.065 -9.052 -15.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -5.819 -7.538 -14.841 1.00 0.00 H new ATOM 49 N GLU A 4 -1.705 -8.763 -9.546 1.00 0.00 N ATOM 50 CA GLU A 4 -0.620 -7.793 -9.455 1.00 0.00 C ATOM 51 C GLU A 4 -0.133 -7.645 -8.019 1.00 0.00 C ATOM 52 O GLU A 4 -0.907 -7.787 -7.073 1.00 0.00 O ATOM 53 CB GLU A 4 -1.073 -6.434 -9.993 1.00 0.00 C ATOM 54 CG GLU A 4 -1.405 -6.424 -11.478 1.00 0.00 C ATOM 55 CD GLU A 4 -1.833 -5.071 -11.974 1.00 0.00 C ATOM 56 OE1 GLU A 4 -1.971 -4.180 -11.168 1.00 0.00 O ATOM 57 OE2 GLU A 4 -2.023 -4.926 -13.158 1.00 0.00 O ATOM 0 H GLU A 4 -2.584 -8.452 -9.134 1.00 0.00 H new ATOM 0 HA GLU A 4 0.207 -8.161 -10.062 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.951 -6.111 -9.435 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.288 -5.702 -9.804 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.532 -6.753 -12.042 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.200 -7.144 -11.672 1.00 0.00 H new ATOM 64 N THR A 5 1.155 -7.359 -7.864 1.00 0.00 N ATOM 65 CA THR A 5 1.750 -7.200 -6.541 1.00 0.00 C ATOM 66 C THR A 5 2.279 -5.785 -6.343 1.00 0.00 C ATOM 67 O THR A 5 2.891 -5.479 -5.320 1.00 0.00 O ATOM 68 CB THR A 5 2.887 -8.214 -6.320 1.00 0.00 C ATOM 69 OG1 THR A 5 3.927 -7.988 -7.281 1.00 0.00 O ATOM 70 CG2 THR A 5 2.369 -9.636 -6.464 1.00 0.00 C ATOM 0 H THR A 5 1.808 -7.232 -8.638 1.00 0.00 H new ATOM 0 HA THR A 5 0.965 -7.386 -5.808 1.00 0.00 H new ATOM 0 HB THR A 5 3.280 -8.082 -5.312 1.00 0.00 H new ATOM 0 HG1 THR A 5 4.594 -7.377 -6.904 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.187 -10.339 -6.305 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.587 -9.815 -5.726 1.00 0.00 H new ATOM 0 HG23 THR A 5 1.961 -9.775 -7.465 1.00 0.00 H new ATOM 78 N LYS A 6 2.040 -4.926 -7.328 1.00 0.00 N ATOM 79 CA LYS A 6 2.624 -3.589 -7.336 1.00 0.00 C ATOM 80 C LYS A 6 2.341 -2.857 -6.033 1.00 0.00 C ATOM 81 O LYS A 6 3.255 -2.340 -5.389 1.00 0.00 O ATOM 82 CB LYS A 6 2.094 -2.781 -8.521 1.00 0.00 C ATOM 83 CG LYS A 6 2.671 -1.376 -8.633 1.00 0.00 C ATOM 84 CD LYS A 6 2.156 -0.665 -9.876 1.00 0.00 C ATOM 85 CE LYS A 6 2.721 0.743 -9.982 1.00 0.00 C ATOM 86 NZ LYS A 6 2.279 1.429 -11.228 1.00 0.00 N ATOM 0 H LYS A 6 1.446 -5.131 -8.131 1.00 0.00 H new ATOM 0 HA LYS A 6 3.704 -3.697 -7.437 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.310 -3.324 -9.441 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.009 -2.710 -8.440 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.407 -0.800 -7.746 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.759 -1.429 -8.666 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.429 -1.236 -10.763 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.067 -0.621 -9.847 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.407 1.326 -9.116 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.810 0.699 -9.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.686 2.385 -11.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.601 0.887 -12.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.241 1.494 -11.239 1.00 0.00 H new ATOM 100 N LEU A 7 1.071 -2.812 -5.648 1.00 0.00 N ATOM 101 CA LEU A 7 0.655 -2.075 -4.462 1.00 0.00 C ATOM 102 C LEU A 7 1.172 -2.739 -3.191 1.00 0.00 C ATOM 103 O LEU A 7 1.492 -2.064 -2.212 1.00 0.00 O ATOM 104 CB LEU A 7 -0.875 -1.977 -4.407 1.00 0.00 C ATOM 105 CG LEU A 7 -1.531 -1.187 -5.548 1.00 0.00 C ATOM 106 CD1 LEU A 7 -3.037 -1.134 -5.329 1.00 0.00 C ATOM 107 CD2 LEU A 7 -0.937 0.212 -5.604 1.00 0.00 C ATOM 0 H LEU A 7 0.310 -3.279 -6.142 1.00 0.00 H new ATOM 0 HA LEU A 7 1.080 -1.073 -4.526 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.286 -2.987 -4.405 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.158 -1.516 -3.461 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.339 -1.680 -6.501 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.503 -0.573 -6.139 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.438 -2.147 -5.312 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.249 -0.644 -4.379 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.403 0.773 -6.414 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.118 0.722 -4.658 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.137 0.145 -5.780 1.00 0.00 H new ATOM 119 N TYR A 8 1.250 -4.065 -3.213 1.00 0.00 N ATOM 120 CA TYR A 8 1.803 -4.818 -2.093 1.00 0.00 C ATOM 121 C TYR A 8 3.301 -4.580 -1.955 1.00 0.00 C ATOM 122 O TYR A 8 3.835 -4.562 -0.845 1.00 0.00 O ATOM 123 CB TYR A 8 1.516 -6.313 -2.261 1.00 0.00 C ATOM 124 CG TYR A 8 0.048 -6.666 -2.182 1.00 0.00 C ATOM 125 CD1 TYR A 8 -0.649 -6.994 -3.335 1.00 0.00 C ATOM 126 CD2 TYR A 8 -0.602 -6.662 -0.956 1.00 0.00 C ATOM 127 CE1 TYR A 8 -1.991 -7.316 -3.263 1.00 0.00 C ATOM 128 CE2 TYR A 8 -1.943 -6.985 -0.884 1.00 0.00 C ATOM 129 CZ TYR A 8 -2.636 -7.310 -2.031 1.00 0.00 C ATOM 130 OH TYR A 8 -3.973 -7.631 -1.960 1.00 0.00 O ATOM 0 H TYR A 8 0.937 -4.641 -3.995 1.00 0.00 H new ATOM 0 HA TYR A 8 1.320 -4.466 -1.181 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.908 -6.643 -3.223 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.055 -6.865 -1.491 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -0.143 -6.998 -4.289 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -0.059 -6.406 -0.058 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -2.536 -7.571 -4.160 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -2.449 -6.983 0.070 1.00 0.00 H new ATOM 0 HH TYR A 8 -4.313 -7.818 -2.860 1.00 0.00 H new ATOM 140 N ASP A 9 3.973 -4.396 -3.086 1.00 0.00 N ATOM 141 CA ASP A 9 5.408 -4.140 -3.091 1.00 0.00 C ATOM 142 C ASP A 9 5.715 -2.719 -2.632 1.00 0.00 C ATOM 143 O ASP A 9 6.736 -2.471 -1.990 1.00 0.00 O ATOM 144 CB ASP A 9 5.990 -4.366 -4.488 1.00 0.00 C ATOM 145 CG ASP A 9 5.971 -5.830 -4.907 1.00 0.00 C ATOM 146 OD1 ASP A 9 6.034 -6.675 -4.045 1.00 0.00 O ATOM 147 OD2 ASP A 9 5.894 -6.089 -6.084 1.00 0.00 O ATOM 0 H ASP A 9 3.546 -4.419 -4.012 1.00 0.00 H new ATOM 0 HA ASP A 9 5.870 -4.838 -2.393 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.424 -3.779 -5.211 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.016 -3.999 -4.512 1.00 0.00 H new ATOM 152 N LEU A 10 4.824 -1.791 -2.964 1.00 0.00 N ATOM 153 CA LEU A 10 4.933 -0.419 -2.483 1.00 0.00 C ATOM 154 C LEU A 10 4.826 -0.357 -0.964 1.00 0.00 C ATOM 155 O LEU A 10 5.563 0.381 -0.309 1.00 0.00 O ATOM 156 CB LEU A 10 3.841 0.453 -3.113 1.00 0.00 C ATOM 157 CG LEU A 10 4.017 0.765 -4.605 1.00 0.00 C ATOM 158 CD1 LEU A 10 2.769 1.461 -5.130 1.00 0.00 C ATOM 159 CD2 LEU A 10 5.251 1.634 -4.800 1.00 0.00 C ATOM 0 H LEU A 10 4.018 -1.964 -3.565 1.00 0.00 H new ATOM 0 HA LEU A 10 5.912 -0.040 -2.775 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.881 -0.044 -2.975 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.794 1.395 -2.567 1.00 0.00 H new ATOM 0 HG LEU A 10 4.156 -0.160 -5.165 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.895 1.682 -6.190 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.905 0.810 -4.995 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.612 2.390 -4.581 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.376 1.856 -5.860 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.131 2.565 -4.246 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.131 1.104 -4.434 1.00 0.00 H new ATOM 171 N LEU A 11 3.905 -1.137 -0.409 1.00 0.00 N ATOM 172 CA LEU A 11 3.729 -1.205 1.037 1.00 0.00 C ATOM 173 C LEU A 11 4.805 -2.069 1.682 1.00 0.00 C ATOM 174 O LEU A 11 5.189 -1.845 2.829 1.00 0.00 O ATOM 175 CB LEU A 11 2.342 -1.766 1.377 1.00 0.00 C ATOM 176 CG LEU A 11 1.152 -0.891 0.962 1.00 0.00 C ATOM 177 CD1 LEU A 11 -0.148 -1.594 1.329 1.00 0.00 C ATOM 178 CD2 LEU A 11 1.253 0.464 1.647 1.00 0.00 C ATOM 0 H LEU A 11 3.268 -1.732 -0.939 1.00 0.00 H new ATOM 0 HA LEU A 11 3.817 -0.193 1.433 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.237 -2.740 0.900 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.291 -1.931 2.453 1.00 0.00 H new ATOM 0 HG LEU A 11 1.165 -0.732 -0.116 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.994 -0.972 1.034 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.203 -2.551 0.810 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.179 -1.762 2.405 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.407 1.085 1.352 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.242 0.327 2.728 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.182 0.952 1.352 1.00 0.00 H new ATOM 190 N GLY A 12 5.286 -3.059 0.938 1.00 0.00 N ATOM 191 CA GLY A 12 6.312 -3.965 1.439 1.00 0.00 C ATOM 192 C GLY A 12 5.706 -5.054 2.316 1.00 0.00 C ATOM 193 O GLY A 12 6.252 -5.396 3.363 1.00 0.00 O ATOM 0 H GLY A 12 4.981 -3.254 -0.016 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.839 -4.421 0.601 1.00 0.00 H new ATOM 0 HA3 GLY A 12 7.050 -3.402 2.011 1.00 0.00 H new ATOM 197 N VAL A 13 4.572 -5.594 1.879 1.00 0.00 N ATOM 198 CA VAL A 13 3.844 -6.582 2.665 1.00 0.00 C ATOM 199 C VAL A 13 3.217 -7.644 1.772 1.00 0.00 C ATOM 200 O VAL A 13 2.699 -7.340 0.697 1.00 0.00 O ATOM 201 CB VAL A 13 2.739 -5.896 3.494 1.00 0.00 C ATOM 202 CG1 VAL A 13 1.743 -5.200 2.578 1.00 0.00 C ATOM 203 CG2 VAL A 13 2.039 -6.921 4.373 1.00 0.00 C ATOM 0 H VAL A 13 4.138 -5.363 0.985 1.00 0.00 H new ATOM 0 HA VAL A 13 4.558 -7.065 3.333 1.00 0.00 H new ATOM 0 HB VAL A 13 3.194 -5.141 4.135 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.970 -4.721 3.178 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.260 -4.446 1.984 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.285 -5.933 1.915 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.260 -6.429 4.956 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.591 -7.692 3.746 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.763 -7.377 5.048 1.00 0.00 H new ATOM 213 N SER A 14 3.268 -8.893 2.221 1.00 0.00 N ATOM 214 CA SER A 14 2.714 -10.005 1.457 1.00 0.00 C ATOM 215 C SER A 14 1.206 -9.863 1.291 1.00 0.00 C ATOM 216 O SER A 14 0.514 -9.403 2.197 1.00 0.00 O ATOM 217 CB SER A 14 3.033 -11.319 2.143 1.00 0.00 C ATOM 218 OG SER A 14 2.392 -12.389 1.504 1.00 0.00 O ATOM 0 H SER A 14 3.688 -9.161 3.111 1.00 0.00 H new ATOM 0 HA SER A 14 3.170 -9.992 0.467 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.111 -11.482 2.140 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.720 -11.274 3.186 1.00 0.00 H new ATOM 0 HG SER A 14 1.852 -12.883 2.156 1.00 0.00 H new ATOM 224 N PRO A 15 0.706 -10.261 0.127 1.00 0.00 N ATOM 225 CA PRO A 15 -0.724 -10.203 -0.152 1.00 0.00 C ATOM 226 C PRO A 15 -1.482 -11.266 0.635 1.00 0.00 C ATOM 227 O PRO A 15 -2.712 -11.253 0.687 1.00 0.00 O ATOM 228 CB PRO A 15 -0.793 -10.462 -1.660 1.00 0.00 C ATOM 229 CG PRO A 15 0.407 -11.300 -1.942 1.00 0.00 C ATOM 230 CD PRO A 15 1.473 -10.746 -1.036 1.00 0.00 C ATOM 0 HA PRO A 15 -1.182 -9.257 0.137 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -1.713 -10.979 -1.934 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -0.770 -9.531 -2.226 1.00 0.00 H new ATOM 0 HG2 PRO A 15 0.215 -12.352 -1.732 1.00 0.00 H new ATOM 0 HG3 PRO A 15 0.701 -11.232 -2.989 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.197 -11.510 -0.751 1.00 0.00 H new ATOM 0 HD3 PRO A 15 2.031 -9.941 -1.515 1.00 0.00 H new ATOM 238 N SER A 16 -0.741 -12.184 1.246 1.00 0.00 N ATOM 239 CA SER A 16 -1.331 -13.177 2.135 1.00 0.00 C ATOM 240 C SER A 16 -1.671 -12.569 3.491 1.00 0.00 C ATOM 241 O SER A 16 -2.367 -13.184 4.299 1.00 0.00 O ATOM 242 CB SER A 16 -0.380 -14.344 2.318 1.00 0.00 C ATOM 243 OG SER A 16 0.759 -13.957 3.036 1.00 0.00 O ATOM 0 H SER A 16 0.271 -12.261 1.141 1.00 0.00 H new ATOM 0 HA SER A 16 -2.255 -13.532 1.678 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.888 -15.152 2.844 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.085 -14.733 1.344 1.00 0.00 H new ATOM 0 HG SER A 16 1.356 -14.727 3.142 1.00 0.00 H new ATOM 249 N ALA A 17 -1.174 -11.362 3.733 1.00 0.00 N ATOM 250 CA ALA A 17 -1.446 -10.657 4.981 1.00 0.00 C ATOM 251 C ALA A 17 -2.889 -10.172 5.033 1.00 0.00 C ATOM 252 O ALA A 17 -3.482 -9.842 4.006 1.00 0.00 O ATOM 253 CB ALA A 17 -0.487 -9.488 5.149 1.00 0.00 C ATOM 0 H ALA A 17 -0.580 -10.850 3.081 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.295 -11.356 5.804 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.703 -8.972 6.085 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.538 -9.858 5.167 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.608 -8.795 4.316 1.00 0.00 H new ATOM 259 N ASN A 18 -3.450 -10.127 6.237 1.00 0.00 N ATOM 260 CA ASN A 18 -4.819 -9.664 6.428 1.00 0.00 C ATOM 261 C ASN A 18 -4.882 -8.143 6.489 1.00 0.00 C ATOM 262 O ASN A 18 -3.864 -7.463 6.356 1.00 0.00 O ATOM 263 CB ASN A 18 -5.419 -10.273 7.682 1.00 0.00 C ATOM 264 CG ASN A 18 -4.752 -9.783 8.939 1.00 0.00 C ATOM 265 OD1 ASN A 18 -4.282 -8.642 9.001 1.00 0.00 O ATOM 266 ND2 ASN A 18 -4.704 -10.625 9.940 1.00 0.00 N ATOM 0 H ASN A 18 -2.976 -10.406 7.096 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.406 -9.990 5.569 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.482 -10.037 7.723 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.336 -11.359 7.630 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -4.265 -10.349 10.818 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -5.106 -11.557 9.842 1.00 0.00 H new ATOM 273 N GLU A 19 -6.084 -7.613 6.690 1.00 0.00 N ATOM 274 CA GLU A 19 -6.317 -6.178 6.581 1.00 0.00 C ATOM 275 C GLU A 19 -5.473 -5.405 7.586 1.00 0.00 C ATOM 276 O GLU A 19 -4.906 -4.361 7.262 1.00 0.00 O ATOM 277 CB GLU A 19 -7.799 -5.860 6.793 1.00 0.00 C ATOM 278 CG GLU A 19 -8.710 -6.340 5.672 1.00 0.00 C ATOM 279 CD GLU A 19 -10.169 -6.126 5.975 1.00 0.00 C ATOM 280 OE1 GLU A 19 -10.479 -5.742 7.076 1.00 0.00 O ATOM 281 OE2 GLU A 19 -10.974 -6.350 5.100 1.00 0.00 O ATOM 0 H GLU A 19 -6.913 -8.157 6.930 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.025 -5.869 5.577 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.125 -6.313 7.729 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.915 -4.782 6.903 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.454 -5.815 4.752 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.532 -7.401 5.494 1.00 0.00 H new ATOM 288 N GLN A 20 -5.394 -5.924 8.807 1.00 0.00 N ATOM 289 CA GLN A 20 -4.655 -5.259 9.874 1.00 0.00 C ATOM 290 C GLN A 20 -3.157 -5.264 9.592 1.00 0.00 C ATOM 291 O GLN A 20 -2.469 -4.273 9.839 1.00 0.00 O ATOM 292 CB GLN A 20 -4.935 -5.934 11.220 1.00 0.00 C ATOM 293 CG GLN A 20 -6.350 -5.733 11.735 1.00 0.00 C ATOM 294 CD GLN A 20 -6.602 -6.468 13.037 1.00 0.00 C ATOM 295 OE1 GLN A 20 -5.893 -7.420 13.376 1.00 0.00 O ATOM 296 NE2 GLN A 20 -7.617 -6.032 13.776 1.00 0.00 N ATOM 0 H GLN A 20 -5.833 -6.803 9.082 1.00 0.00 H new ATOM 0 HA GLN A 20 -4.992 -4.223 9.918 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.743 -7.003 11.125 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.233 -5.549 11.960 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -6.533 -4.668 11.881 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.060 -6.078 10.983 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -8.177 -5.241 13.457 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -7.836 -6.488 14.662 1.00 0.00 H new ATOM 305 N GLU A 21 -2.660 -6.381 9.077 1.00 0.00 N ATOM 306 CA GLU A 21 -1.241 -6.519 8.771 1.00 0.00 C ATOM 307 C GLU A 21 -0.853 -5.677 7.563 1.00 0.00 C ATOM 308 O GLU A 21 0.258 -5.153 7.490 1.00 0.00 O ATOM 309 CB GLU A 21 -0.890 -7.987 8.516 1.00 0.00 C ATOM 310 CG GLU A 21 -0.980 -8.878 9.747 1.00 0.00 C ATOM 311 CD GLU A 21 -0.043 -8.454 10.845 1.00 0.00 C ATOM 312 OE1 GLU A 21 1.102 -8.201 10.557 1.00 0.00 O ATOM 313 OE2 GLU A 21 -0.474 -8.385 11.971 1.00 0.00 O ATOM 0 H GLU A 21 -3.219 -7.206 8.862 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.679 -6.161 9.633 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.557 -8.380 7.749 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.123 -8.042 8.116 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.003 -8.866 10.124 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.757 -9.906 9.462 1.00 0.00 H new ATOM 320 N LEU A 22 -1.777 -5.549 6.616 1.00 0.00 N ATOM 321 CA LEU A 22 -1.588 -4.660 5.477 1.00 0.00 C ATOM 322 C LEU A 22 -1.496 -3.207 5.922 1.00 0.00 C ATOM 323 O LEU A 22 -0.695 -2.435 5.394 1.00 0.00 O ATOM 324 CB LEU A 22 -2.743 -4.823 4.480 1.00 0.00 C ATOM 325 CG LEU A 22 -2.788 -6.160 3.726 1.00 0.00 C ATOM 326 CD1 LEU A 22 -4.081 -6.249 2.927 1.00 0.00 C ATOM 327 CD2 LEU A 22 -1.573 -6.270 2.817 1.00 0.00 C ATOM 0 H LEU A 22 -2.665 -6.051 6.616 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.650 -4.932 4.993 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.683 -4.698 5.018 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.684 -4.016 3.749 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.764 -6.989 4.433 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.113 -7.198 2.392 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.932 -6.185 3.605 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.124 -5.427 2.212 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.604 -7.219 2.281 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.579 -5.448 2.101 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.664 -6.222 3.417 1.00 0.00 H new ATOM 339 N LYS A 23 -2.320 -2.838 6.896 1.00 0.00 N ATOM 340 CA LYS A 23 -2.260 -1.507 7.489 1.00 0.00 C ATOM 341 C LYS A 23 -0.909 -1.259 8.148 1.00 0.00 C ATOM 342 O LYS A 23 -0.326 -0.184 8.003 1.00 0.00 O ATOM 343 CB LYS A 23 -3.384 -1.323 8.508 1.00 0.00 C ATOM 344 CG LYS A 23 -3.425 0.055 9.159 1.00 0.00 C ATOM 345 CD LYS A 23 -4.627 0.195 10.081 1.00 0.00 C ATOM 346 CE LYS A 23 -4.664 1.566 10.739 1.00 0.00 C ATOM 347 NZ LYS A 23 -5.836 1.719 11.642 1.00 0.00 N ATOM 0 H LYS A 23 -3.039 -3.443 7.293 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.387 -0.779 6.688 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.339 -1.507 8.015 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.278 -2.077 9.288 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.508 0.219 9.725 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.465 0.823 8.387 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.544 0.037 9.513 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.591 -0.578 10.849 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.746 1.721 11.307 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.696 2.337 9.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.823 2.667 12.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.713 1.597 11.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.792 1.000 12.392 1.00 0.00 H new ATOM 361 N LYS A 24 -0.416 -2.258 8.871 1.00 0.00 N ATOM 362 CA LYS A 24 0.893 -2.172 9.507 1.00 0.00 C ATOM 363 C LYS A 24 1.986 -1.902 8.480 1.00 0.00 C ATOM 364 O LYS A 24 2.895 -1.107 8.722 1.00 0.00 O ATOM 365 CB LYS A 24 1.201 -3.457 10.276 1.00 0.00 C ATOM 366 CG LYS A 24 0.365 -3.655 11.533 1.00 0.00 C ATOM 367 CD LYS A 24 0.691 -4.976 12.212 1.00 0.00 C ATOM 368 CE LYS A 24 -0.214 -5.221 13.411 1.00 0.00 C ATOM 369 NZ LYS A 24 0.052 -6.538 14.048 1.00 0.00 N ATOM 0 H LYS A 24 -0.905 -3.139 9.032 1.00 0.00 H new ATOM 0 HA LYS A 24 0.869 -1.338 10.208 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.045 -4.308 9.613 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.255 -3.457 10.552 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.546 -2.833 12.226 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.694 -3.628 11.276 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.580 -5.792 11.497 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.732 -4.974 12.534 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.068 -4.427 14.144 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.256 -5.175 13.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.585 -6.666 14.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.112 -7.297 13.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.039 -6.573 14.373 1.00 0.00 H new ATOM 383 N GLY A 25 1.892 -2.567 7.334 1.00 0.00 N ATOM 384 CA GLY A 25 2.823 -2.334 6.236 1.00 0.00 C ATOM 385 C GLY A 25 2.810 -0.875 5.801 1.00 0.00 C ATOM 386 O GLY A 25 3.862 -0.267 5.602 1.00 0.00 O ATOM 0 H GLY A 25 1.180 -3.272 7.141 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.830 -2.615 6.544 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.559 -2.970 5.391 1.00 0.00 H new ATOM 390 N TYR A 26 1.614 -0.317 5.654 1.00 0.00 N ATOM 391 CA TYR A 26 1.462 1.090 5.301 1.00 0.00 C ATOM 392 C TYR A 26 2.077 1.992 6.364 1.00 0.00 C ATOM 393 O TYR A 26 2.823 2.920 6.048 1.00 0.00 O ATOM 394 CB TYR A 26 -0.016 1.435 5.102 1.00 0.00 C ATOM 395 CG TYR A 26 -0.272 2.910 4.880 1.00 0.00 C ATOM 396 CD1 TYR A 26 0.254 3.546 3.766 1.00 0.00 C ATOM 397 CD2 TYR A 26 -1.035 3.626 5.792 1.00 0.00 C ATOM 398 CE1 TYR A 26 0.019 4.891 3.563 1.00 0.00 C ATOM 399 CE2 TYR A 26 -1.270 4.972 5.589 1.00 0.00 C ATOM 400 CZ TYR A 26 -0.746 5.605 4.480 1.00 0.00 C ATOM 401 OH TYR A 26 -0.979 6.946 4.279 1.00 0.00 O ATOM 0 H TYR A 26 0.734 -0.818 5.774 1.00 0.00 H new ATOM 0 HA TYR A 26 1.992 1.261 4.364 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.399 0.876 4.248 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.578 1.105 5.976 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.848 2.989 3.057 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.445 3.131 6.660 1.00 0.00 H new ATOM 0 HE1 TYR A 26 0.428 5.387 2.695 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.864 5.529 6.298 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.794 7.174 3.344 1.00 0.00 H new ATOM 411 N ARG A 27 1.762 1.714 7.624 1.00 0.00 N ATOM 412 CA ARG A 27 2.235 2.535 8.732 1.00 0.00 C ATOM 413 C ARG A 27 3.757 2.618 8.743 1.00 0.00 C ATOM 414 O ARG A 27 4.329 3.684 8.975 1.00 0.00 O ATOM 415 CB ARG A 27 1.751 1.974 10.060 1.00 0.00 C ATOM 416 CG ARG A 27 0.259 2.128 10.313 1.00 0.00 C ATOM 417 CD ARG A 27 -0.156 1.458 11.573 1.00 0.00 C ATOM 418 NE ARG A 27 0.410 2.108 12.743 1.00 0.00 N ATOM 419 CZ ARG A 27 0.405 1.585 13.986 1.00 0.00 C ATOM 420 NH1 ARG A 27 -0.136 0.406 14.200 1.00 0.00 N ATOM 421 NH2 ARG A 27 0.946 2.255 14.987 1.00 0.00 N ATOM 0 H ARG A 27 1.180 0.925 7.904 1.00 0.00 H new ATOM 0 HA ARG A 27 1.829 3.537 8.594 1.00 0.00 H new ATOM 0 HB2 ARG A 27 2.005 0.915 10.105 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.294 2.467 10.866 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.006 3.187 10.363 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.298 1.706 9.476 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -1.244 1.462 11.646 1.00 0.00 H new ATOM 0 HD3 ARG A 27 0.158 0.414 11.550 1.00 0.00 H new ATOM 0 HE ARG A 27 0.841 3.024 12.615 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.552 -0.112 13.426 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -0.140 0.010 15.140 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.368 3.169 14.820 1.00 0.00 H new ATOM 0 HH22 ARG A 27 0.942 1.859 15.927 1.00 0.00 H new ATOM 435 N LYS A 28 4.407 1.488 8.494 1.00 0.00 N ATOM 436 CA LYS A 28 5.864 1.438 8.437 1.00 0.00 C ATOM 437 C LYS A 28 6.398 2.264 7.274 1.00 0.00 C ATOM 438 O LYS A 28 7.326 3.056 7.437 1.00 0.00 O ATOM 439 CB LYS A 28 6.347 -0.007 8.319 1.00 0.00 C ATOM 440 CG LYS A 28 6.148 -0.842 9.578 1.00 0.00 C ATOM 441 CD LYS A 28 6.615 -2.275 9.372 1.00 0.00 C ATOM 442 CE LYS A 28 6.397 -3.114 10.621 1.00 0.00 C ATOM 443 NZ LYS A 28 6.831 -4.525 10.426 1.00 0.00 N ATOM 0 H LYS A 28 3.948 0.592 8.328 1.00 0.00 H new ATOM 0 HA LYS A 28 6.248 1.865 9.364 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.822 -0.486 7.493 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.407 -0.003 8.064 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.699 -0.393 10.405 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.094 -0.837 9.857 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.075 -2.718 8.535 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.673 -2.280 9.108 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.949 -2.676 11.453 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.342 -3.093 10.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.666 -5.063 11.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.287 -4.951 9.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.844 -4.547 10.192 1.00 0.00 H new ATOM 457 N ALA A 29 5.806 2.077 6.099 1.00 0.00 N ATOM 458 CA ALA A 29 6.209 2.818 4.910 1.00 0.00 C ATOM 459 C ALA A 29 5.863 4.295 5.040 1.00 0.00 C ATOM 460 O ALA A 29 6.584 5.158 4.538 1.00 0.00 O ATOM 461 CB ALA A 29 5.554 2.227 3.671 1.00 0.00 C ATOM 0 H ALA A 29 5.044 1.417 5.945 1.00 0.00 H new ATOM 0 HA ALA A 29 7.291 2.733 4.810 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.864 2.791 2.791 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.857 1.186 3.560 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.470 2.280 3.772 1.00 0.00 H new ATOM 467 N ALA A 30 4.754 4.582 5.713 1.00 0.00 N ATOM 468 CA ALA A 30 4.300 5.955 5.895 1.00 0.00 C ATOM 469 C ALA A 30 5.320 6.773 6.676 1.00 0.00 C ATOM 470 O ALA A 30 5.575 7.934 6.356 1.00 0.00 O ATOM 471 CB ALA A 30 2.951 5.979 6.599 1.00 0.00 C ATOM 0 H ALA A 30 4.152 3.880 6.142 1.00 0.00 H new ATOM 0 HA ALA A 30 4.190 6.406 4.909 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.626 7.011 6.727 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.218 5.440 5.999 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.042 5.503 7.575 1.00 0.00 H new ATOM 477 N LEU A 31 5.899 6.163 7.704 1.00 0.00 N ATOM 478 CA LEU A 31 6.976 6.790 8.460 1.00 0.00 C ATOM 479 C LEU A 31 8.270 6.821 7.657 1.00 0.00 C ATOM 480 O LEU A 31 9.010 7.804 7.695 1.00 0.00 O ATOM 481 CB LEU A 31 7.203 6.040 9.780 1.00 0.00 C ATOM 482 CG LEU A 31 6.064 6.134 10.803 1.00 0.00 C ATOM 483 CD1 LEU A 31 6.363 5.214 11.980 1.00 0.00 C ATOM 484 CD2 LEU A 31 5.910 7.576 11.262 1.00 0.00 C ATOM 0 H LEU A 31 5.640 5.233 8.033 1.00 0.00 H new ATOM 0 HA LEU A 31 6.680 7.817 8.673 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.377 4.988 9.554 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.114 6.422 10.242 1.00 0.00 H new ATOM 0 HG LEU A 31 5.126 5.817 10.347 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.554 5.280 12.708 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.450 4.187 11.626 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.299 5.516 12.449 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.100 7.642 11.989 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.839 7.913 11.722 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.680 8.208 10.404 1.00 0.00 H new ATOM 496 N LYS A 32 8.537 5.740 6.932 1.00 0.00 N ATOM 497 CA LYS A 32 9.746 5.639 6.124 1.00 0.00 C ATOM 498 C LYS A 32 9.824 6.770 5.107 1.00 0.00 C ATOM 499 O LYS A 32 10.886 7.357 4.898 1.00 0.00 O ATOM 500 CB LYS A 32 9.803 4.287 5.411 1.00 0.00 C ATOM 501 CG LYS A 32 11.059 4.066 4.582 1.00 0.00 C ATOM 502 CD LYS A 32 11.095 2.662 3.995 1.00 0.00 C ATOM 503 CE LYS A 32 12.346 2.443 3.158 1.00 0.00 C ATOM 504 NZ LYS A 32 12.408 1.065 2.600 1.00 0.00 N ATOM 0 H LYS A 32 7.931 4.921 6.888 1.00 0.00 H new ATOM 0 HA LYS A 32 10.602 5.722 6.794 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.730 3.494 6.155 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.933 4.196 4.761 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.100 4.800 3.777 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.940 4.225 5.204 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.061 1.928 4.800 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.210 2.501 3.379 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.368 3.166 2.342 1.00 0.00 H new ATOM 0 HE3 LYS A 32 13.229 2.626 3.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.275 0.957 2.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.413 0.375 3.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.579 0.898 1.995 1.00 0.00 H new ATOM 518 N TYR A 33 8.694 7.073 4.478 1.00 0.00 N ATOM 519 CA TYR A 33 8.649 8.082 3.426 1.00 0.00 C ATOM 520 C TYR A 33 7.898 9.325 3.887 1.00 0.00 C ATOM 521 O TYR A 33 7.418 10.111 3.070 1.00 0.00 O ATOM 522 CB TYR A 33 8.004 7.510 2.162 1.00 0.00 C ATOM 523 CG TYR A 33 8.682 6.264 1.640 1.00 0.00 C ATOM 524 CD1 TYR A 33 9.964 6.341 1.113 1.00 0.00 C ATOM 525 CD2 TYR A 33 8.024 5.044 1.688 1.00 0.00 C ATOM 526 CE1 TYR A 33 10.583 5.202 0.637 1.00 0.00 C ATOM 527 CE2 TYR A 33 8.644 3.905 1.212 1.00 0.00 C ATOM 528 CZ TYR A 33 9.919 3.981 0.688 1.00 0.00 C ATOM 529 OH TYR A 33 10.536 2.847 0.213 1.00 0.00 O ATOM 0 H TYR A 33 7.796 6.634 4.679 1.00 0.00 H new ATOM 0 HA TYR A 33 9.674 8.372 3.197 1.00 0.00 H new ATOM 0 HB2 TYR A 33 6.958 7.283 2.370 1.00 0.00 H new ATOM 0 HB3 TYR A 33 8.016 8.272 1.383 1.00 0.00 H new ATOM 0 HD1 TYR A 33 10.477 7.291 1.075 1.00 0.00 H new ATOM 0 HD2 TYR A 33 7.026 4.984 2.098 1.00 0.00 H new ATOM 0 HE1 TYR A 33 11.580 5.259 0.226 1.00 0.00 H new ATOM 0 HE2 TYR A 33 8.131 2.955 1.250 1.00 0.00 H new ATOM 0 HH TYR A 33 9.938 2.079 0.323 1.00 0.00 H new ATOM 539 N HIS A 34 7.800 9.498 5.201 1.00 0.00 N ATOM 540 CA HIS A 34 6.993 10.567 5.774 1.00 0.00 C ATOM 541 C HIS A 34 7.340 11.913 5.154 1.00 0.00 C ATOM 542 O HIS A 34 8.513 12.256 5.009 1.00 0.00 O ATOM 543 CB HIS A 34 7.183 10.634 7.293 1.00 0.00 C ATOM 544 CG HIS A 34 6.112 11.403 8.001 1.00 0.00 C ATOM 545 ND1 HIS A 34 6.040 12.780 7.967 1.00 0.00 N ATOM 546 CD2 HIS A 34 5.070 10.990 8.761 1.00 0.00 C ATOM 547 CE1 HIS A 34 4.998 13.180 8.677 1.00 0.00 C ATOM 548 NE2 HIS A 34 4.394 12.113 9.168 1.00 0.00 N ATOM 0 H HIS A 34 8.270 8.910 5.889 1.00 0.00 H new ATOM 0 HA HIS A 34 5.949 10.343 5.554 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.213 9.620 7.691 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.149 11.090 7.509 1.00 0.00 H new ATOM 0 HD2 HIS A 34 4.818 9.968 9.002 1.00 0.00 H new ATOM 0 HE1 HIS A 34 4.693 14.205 8.829 1.00 0.00 H new ATOM 0 HE2 HIS A 34 3.560 12.122 9.755 1.00 0.00 H new ATOM 556 N PRO A 35 6.314 12.675 4.789 1.00 0.00 N ATOM 557 CA PRO A 35 6.509 13.948 4.108 1.00 0.00 C ATOM 558 C PRO A 35 7.434 14.862 4.902 1.00 0.00 C ATOM 559 O PRO A 35 8.215 15.621 4.330 1.00 0.00 O ATOM 560 CB PRO A 35 5.088 14.516 4.026 1.00 0.00 C ATOM 561 CG PRO A 35 4.216 13.311 3.939 1.00 0.00 C ATOM 562 CD PRO A 35 4.866 12.311 4.861 1.00 0.00 C ATOM 0 HA PRO A 35 6.983 13.847 3.132 1.00 0.00 H new ATOM 0 HB2 PRO A 35 4.849 15.118 4.903 1.00 0.00 H new ATOM 0 HB3 PRO A 35 4.966 15.159 3.155 1.00 0.00 H new ATOM 0 HG2 PRO A 35 3.196 13.535 4.251 1.00 0.00 H new ATOM 0 HG3 PRO A 35 4.161 12.933 2.918 1.00 0.00 H new ATOM 0 HD2 PRO A 35 4.481 12.390 5.878 1.00 0.00 H new ATOM 0 HD3 PRO A 35 4.691 11.287 4.532 1.00 0.00 H new ATOM 570 N ASP A 36 7.340 14.784 6.226 1.00 0.00 N ATOM 571 CA ASP A 36 8.070 15.694 7.100 1.00 0.00 C ATOM 572 C ASP A 36 9.416 15.109 7.504 1.00 0.00 C ATOM 573 O ASP A 36 10.142 15.692 8.308 1.00 0.00 O ATOM 574 CB ASP A 36 7.248 16.010 8.351 1.00 0.00 C ATOM 575 CG ASP A 36 5.981 16.798 8.045 1.00 0.00 C ATOM 576 OD1 ASP A 36 5.960 17.491 7.055 1.00 0.00 O ATOM 577 OD2 ASP A 36 5.048 16.702 8.805 1.00 0.00 O ATOM 0 H ASP A 36 6.765 14.099 6.717 1.00 0.00 H new ATOM 0 HA ASP A 36 8.247 16.615 6.545 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.979 15.078 8.848 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.863 16.577 9.050 1.00 0.00 H new ATOM 582 N LYS A 37 9.745 13.949 6.943 1.00 0.00 N ATOM 583 CA LYS A 37 11.035 13.317 7.187 1.00 0.00 C ATOM 584 C LYS A 37 12.115 13.902 6.284 1.00 0.00 C ATOM 585 O LYS A 37 11.932 14.011 5.072 1.00 0.00 O ATOM 586 CB LYS A 37 10.939 11.806 6.980 1.00 0.00 C ATOM 587 CG LYS A 37 12.201 11.038 7.355 1.00 0.00 C ATOM 588 CD LYS A 37 11.991 9.536 7.227 1.00 0.00 C ATOM 589 CE LYS A 37 13.240 8.768 7.635 1.00 0.00 C ATOM 590 NZ LYS A 37 13.043 7.295 7.537 1.00 0.00 N ATOM 0 H LYS A 37 9.133 13.428 6.315 1.00 0.00 H new ATOM 0 HA LYS A 37 11.312 13.515 8.222 1.00 0.00 H new ATOM 0 HB2 LYS A 37 10.106 11.423 7.570 1.00 0.00 H new ATOM 0 HB3 LYS A 37 10.706 11.609 5.934 1.00 0.00 H new ATOM 0 HG2 LYS A 37 13.024 11.349 6.711 1.00 0.00 H new ATOM 0 HG3 LYS A 37 12.487 11.282 8.378 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.152 9.229 7.852 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.729 9.289 6.198 1.00 0.00 H new ATOM 0 HE2 LYS A 37 14.073 9.066 6.999 1.00 0.00 H new ATOM 0 HE3 LYS A 37 13.510 9.031 8.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.916 6.808 7.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.264 7.006 8.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.811 7.040 6.556 1.00 0.00 H new ATOM 604 N PRO A 38 13.240 14.276 6.882 1.00 0.00 N ATOM 605 CA PRO A 38 14.342 14.874 6.137 1.00 0.00 C ATOM 606 C PRO A 38 14.733 14.011 4.945 1.00 0.00 C ATOM 607 O PRO A 38 15.066 14.524 3.877 1.00 0.00 O ATOM 608 CB PRO A 38 15.464 14.944 7.177 1.00 0.00 C ATOM 609 CG PRO A 38 14.751 15.117 8.474 1.00 0.00 C ATOM 610 CD PRO A 38 13.530 14.247 8.350 1.00 0.00 C ATOM 0 HA PRO A 38 14.098 15.847 5.711 1.00 0.00 H new ATOM 0 HB2 PRO A 38 16.068 14.037 7.173 1.00 0.00 H new ATOM 0 HB3 PRO A 38 16.139 15.777 6.979 1.00 0.00 H new ATOM 0 HG2 PRO A 38 15.374 14.810 9.314 1.00 0.00 H new ATOM 0 HG3 PRO A 38 14.481 16.159 8.643 1.00 0.00 H new ATOM 0 HD2 PRO A 38 13.720 13.233 8.703 1.00 0.00 H new ATOM 0 HD3 PRO A 38 12.696 14.637 8.933 1.00 0.00 H new ATOM 618 N THR A 39 14.690 12.696 5.134 1.00 0.00 N ATOM 619 CA THR A 39 15.031 11.758 4.070 1.00 0.00 C ATOM 620 C THR A 39 13.822 10.927 3.661 1.00 0.00 C ATOM 621 O THR A 39 13.947 9.744 3.346 1.00 0.00 O ATOM 622 CB THR A 39 16.178 10.825 4.500 1.00 0.00 C ATOM 623 OG1 THR A 39 15.806 10.125 5.694 1.00 0.00 O ATOM 624 CG2 THR A 39 17.447 11.624 4.759 1.00 0.00 C ATOM 0 H THR A 39 14.422 12.256 6.014 1.00 0.00 H new ATOM 0 HA THR A 39 15.358 12.347 3.213 1.00 0.00 H new ATOM 0 HB THR A 39 16.367 10.112 3.697 1.00 0.00 H new ATOM 0 HG1 THR A 39 16.536 9.530 5.966 1.00 0.00 H new ATOM 0 HG21 THR A 39 18.247 10.948 5.062 1.00 0.00 H new ATOM 0 HG22 THR A 39 17.739 12.148 3.849 1.00 0.00 H new ATOM 0 HG23 THR A 39 17.265 12.349 5.552 1.00 0.00 H new ATOM 632 N GLY A 40 12.651 11.554 3.668 1.00 0.00 N ATOM 633 CA GLY A 40 11.424 10.891 3.241 1.00 0.00 C ATOM 634 C GLY A 40 11.195 11.066 1.746 1.00 0.00 C ATOM 635 O GLY A 40 12.105 11.449 1.009 1.00 0.00 O ATOM 0 H GLY A 40 12.525 12.522 3.965 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.479 9.829 3.481 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.576 11.299 3.792 1.00 0.00 H new ATOM 639 N ASP A 41 9.974 10.785 1.302 1.00 0.00 N ATOM 640 CA ASP A 41 9.634 10.875 -0.113 1.00 0.00 C ATOM 641 C ASP A 41 8.138 11.078 -0.308 1.00 0.00 C ATOM 642 O ASP A 41 7.356 10.131 -0.221 1.00 0.00 O ATOM 643 CB ASP A 41 10.085 9.615 -0.855 1.00 0.00 C ATOM 644 CG ASP A 41 9.851 9.696 -2.357 1.00 0.00 C ATOM 645 OD1 ASP A 41 9.040 10.488 -2.771 1.00 0.00 O ATOM 646 OD2 ASP A 41 10.489 8.964 -3.078 1.00 0.00 O ATOM 0 H ASP A 41 9.203 10.493 1.903 1.00 0.00 H new ATOM 0 HA ASP A 41 10.157 11.739 -0.524 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.145 9.448 -0.666 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.551 8.753 -0.455 1.00 0.00 H new ATOM 651 N THR A 42 7.741 12.319 -0.570 1.00 0.00 N ATOM 652 CA THR A 42 6.331 12.671 -0.669 1.00 0.00 C ATOM 653 C THR A 42 5.654 11.916 -1.807 1.00 0.00 C ATOM 654 O THR A 42 4.534 11.427 -1.661 1.00 0.00 O ATOM 655 CB THR A 42 6.149 14.185 -0.874 1.00 0.00 C ATOM 656 OG1 THR A 42 6.692 14.890 0.250 1.00 0.00 O ATOM 657 CG2 THR A 42 4.675 14.531 -1.020 1.00 0.00 C ATOM 0 H THR A 42 8.380 13.100 -0.718 1.00 0.00 H new ATOM 0 HA THR A 42 5.861 12.385 0.272 1.00 0.00 H new ATOM 0 HB THR A 42 6.672 14.478 -1.784 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.577 15.854 0.118 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.566 15.606 -1.164 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.262 14.006 -1.881 1.00 0.00 H new ATOM 0 HG23 THR A 42 4.140 14.230 -0.120 1.00 0.00 H new ATOM 665 N GLU A 43 6.342 11.823 -2.940 1.00 0.00 N ATOM 666 CA GLU A 43 5.817 11.110 -4.099 1.00 0.00 C ATOM 667 C GLU A 43 5.527 9.652 -3.764 1.00 0.00 C ATOM 668 O GLU A 43 4.451 9.138 -4.067 1.00 0.00 O ATOM 669 CB GLU A 43 6.804 11.189 -5.266 1.00 0.00 C ATOM 670 CG GLU A 43 6.331 10.500 -6.537 1.00 0.00 C ATOM 671 CD GLU A 43 7.292 10.658 -7.682 1.00 0.00 C ATOM 672 OE1 GLU A 43 8.286 11.322 -7.509 1.00 0.00 O ATOM 673 OE2 GLU A 43 7.035 10.113 -8.728 1.00 0.00 O ATOM 0 H GLU A 43 7.265 12.233 -3.080 1.00 0.00 H new ATOM 0 HA GLU A 43 4.881 11.588 -4.388 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.002 12.238 -5.488 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.750 10.744 -4.957 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.185 9.439 -6.336 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.361 10.906 -6.825 1.00 0.00 H new ATOM 680 N LYS A 44 6.495 8.992 -3.137 1.00 0.00 N ATOM 681 CA LYS A 44 6.333 7.600 -2.734 1.00 0.00 C ATOM 682 C LYS A 44 5.270 7.460 -1.652 1.00 0.00 C ATOM 683 O LYS A 44 4.519 6.485 -1.629 1.00 0.00 O ATOM 684 CB LYS A 44 7.664 7.028 -2.239 1.00 0.00 C ATOM 685 CG LYS A 44 7.626 5.542 -1.909 1.00 0.00 C ATOM 686 CD LYS A 44 7.289 4.712 -3.139 1.00 0.00 C ATOM 687 CE LYS A 44 8.374 4.825 -4.199 1.00 0.00 C ATOM 688 NZ LYS A 44 8.082 3.980 -5.387 1.00 0.00 N ATOM 0 H LYS A 44 7.399 9.398 -2.897 1.00 0.00 H new ATOM 0 HA LYS A 44 6.007 7.036 -3.608 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.425 7.199 -3.001 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.973 7.577 -1.350 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.592 5.231 -1.511 1.00 0.00 H new ATOM 0 HG3 LYS A 44 6.886 5.359 -1.130 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.166 3.668 -2.852 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.337 5.043 -3.554 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.471 5.865 -4.509 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.332 4.530 -3.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.801 4.150 -6.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 8.099 2.977 -5.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.142 4.221 -5.762 1.00 0.00 H new ATOM 702 N PHE A 45 5.211 8.441 -0.757 1.00 0.00 N ATOM 703 CA PHE A 45 4.183 8.474 0.277 1.00 0.00 C ATOM 704 C PHE A 45 2.788 8.447 -0.333 1.00 0.00 C ATOM 705 O PHE A 45 1.897 7.755 0.162 1.00 0.00 O ATOM 706 CB PHE A 45 4.342 9.721 1.148 1.00 0.00 C ATOM 707 CG PHE A 45 3.377 9.783 2.299 1.00 0.00 C ATOM 708 CD1 PHE A 45 2.221 10.545 2.212 1.00 0.00 C ATOM 709 CD2 PHE A 45 3.624 9.080 3.468 1.00 0.00 C ATOM 710 CE1 PHE A 45 1.334 10.603 3.270 1.00 0.00 C ATOM 711 CE2 PHE A 45 2.738 9.136 4.526 1.00 0.00 C ATOM 712 CZ PHE A 45 1.592 9.898 4.427 1.00 0.00 C ATOM 0 H PHE A 45 5.864 9.224 -0.727 1.00 0.00 H new ATOM 0 HA PHE A 45 4.306 7.585 0.896 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.360 9.754 1.537 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.209 10.607 0.526 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.012 11.098 1.308 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.519 8.482 3.552 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.438 11.201 3.191 1.00 0.00 H new ATOM 0 HE2 PHE A 45 2.942 8.583 5.431 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.898 9.942 5.254 1.00 0.00 H new ATOM 722 N LYS A 46 2.603 9.205 -1.408 1.00 0.00 N ATOM 723 CA LYS A 46 1.337 9.215 -2.130 1.00 0.00 C ATOM 724 C LYS A 46 1.052 7.858 -2.760 1.00 0.00 C ATOM 725 O LYS A 46 -0.089 7.391 -2.763 1.00 0.00 O ATOM 726 CB LYS A 46 1.342 10.303 -3.206 1.00 0.00 C ATOM 727 CG LYS A 46 1.289 11.724 -2.663 1.00 0.00 C ATOM 728 CD LYS A 46 1.332 12.747 -3.788 1.00 0.00 C ATOM 729 CE LYS A 46 1.266 14.169 -3.247 1.00 0.00 C ATOM 730 NZ LYS A 46 1.329 15.181 -4.336 1.00 0.00 N ATOM 0 H LYS A 46 3.315 9.821 -1.799 1.00 0.00 H new ATOM 0 HA LYS A 46 0.546 9.431 -1.412 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.240 10.192 -3.813 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.489 10.147 -3.867 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.378 11.859 -2.080 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.128 11.889 -1.986 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.248 12.618 -4.365 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.499 12.576 -4.470 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.343 14.300 -2.683 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.090 14.332 -2.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 1.281 16.136 -3.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.221 15.073 -4.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.528 15.043 -4.985 1.00 0.00 H new ATOM 744 N GLU A 47 2.093 7.227 -3.291 1.00 0.00 N ATOM 745 CA GLU A 47 1.951 5.934 -3.953 1.00 0.00 C ATOM 746 C GLU A 47 1.490 4.862 -2.974 1.00 0.00 C ATOM 747 O GLU A 47 0.602 4.068 -3.282 1.00 0.00 O ATOM 748 CB GLU A 47 3.274 5.516 -4.598 1.00 0.00 C ATOM 749 CG GLU A 47 3.666 6.338 -5.819 1.00 0.00 C ATOM 750 CD GLU A 47 4.964 5.892 -6.431 1.00 0.00 C ATOM 751 OE1 GLU A 47 5.544 4.957 -5.934 1.00 0.00 O ATOM 752 OE2 GLU A 47 5.377 6.487 -7.397 1.00 0.00 O ATOM 0 H GLU A 47 3.046 7.590 -3.276 1.00 0.00 H new ATOM 0 HA GLU A 47 1.193 6.039 -4.729 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.067 5.592 -3.854 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.208 4.467 -4.887 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.875 6.270 -6.566 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.746 7.387 -5.534 1.00 0.00 H new ATOM 759 N ILE A 48 2.100 4.844 -1.793 1.00 0.00 N ATOM 760 CA ILE A 48 1.771 3.854 -0.776 1.00 0.00 C ATOM 761 C ILE A 48 0.437 4.173 -0.109 1.00 0.00 C ATOM 762 O ILE A 48 -0.221 3.287 0.437 1.00 0.00 O ATOM 763 CB ILE A 48 2.875 3.779 0.295 1.00 0.00 C ATOM 764 CG1 ILE A 48 2.979 5.106 1.049 1.00 0.00 C ATOM 765 CG2 ILE A 48 4.209 3.418 -0.341 1.00 0.00 C ATOM 766 CD1 ILE A 48 3.884 5.051 2.259 1.00 0.00 C ATOM 0 H ILE A 48 2.826 5.505 -1.517 1.00 0.00 H new ATOM 0 HA ILE A 48 1.693 2.888 -1.276 1.00 0.00 H new ATOM 0 HB ILE A 48 2.613 2.998 1.009 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.346 5.873 0.367 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.982 5.412 1.366 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.978 3.369 0.430 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.127 2.449 -0.834 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.479 4.177 -1.076 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.907 6.028 2.741 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.507 4.308 2.962 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.892 4.776 1.947 1.00 0.00 H new ATOM 778 N SER A 49 0.046 5.441 -0.158 1.00 0.00 N ATOM 779 CA SER A 49 -1.261 5.858 0.337 1.00 0.00 C ATOM 780 C SER A 49 -2.378 5.361 -0.572 1.00 0.00 C ATOM 781 O SER A 49 -3.439 4.953 -0.101 1.00 0.00 O ATOM 782 CB SER A 49 -1.320 7.369 0.444 1.00 0.00 C ATOM 783 OG SER A 49 -0.463 7.834 1.450 1.00 0.00 O ATOM 0 H SER A 49 0.615 6.199 -0.535 1.00 0.00 H new ATOM 0 HA SER A 49 -1.403 5.419 1.325 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.043 7.816 -0.511 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.342 7.683 0.658 1.00 0.00 H new ATOM 0 HG SER A 49 0.414 8.039 1.064 1.00 0.00 H new ATOM 789 N GLU A 50 -2.132 5.396 -1.878 1.00 0.00 N ATOM 790 CA GLU A 50 -3.022 4.761 -2.842 1.00 0.00 C ATOM 791 C GLU A 50 -3.077 3.254 -2.633 1.00 0.00 C ATOM 792 O GLU A 50 -4.151 2.652 -2.657 1.00 0.00 O ATOM 793 CB GLU A 50 -2.568 5.071 -4.271 1.00 0.00 C ATOM 794 CG GLU A 50 -2.883 6.486 -4.738 1.00 0.00 C ATOM 795 CD GLU A 50 -2.418 6.754 -6.142 1.00 0.00 C ATOM 796 OE1 GLU A 50 -1.478 6.127 -6.567 1.00 0.00 O ATOM 797 OE2 GLU A 50 -3.004 7.590 -6.791 1.00 0.00 O ATOM 0 H GLU A 50 -1.323 5.858 -2.293 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.022 5.165 -2.687 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.492 4.909 -4.341 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.041 4.363 -4.951 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.959 6.652 -4.679 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.412 7.200 -4.062 1.00 0.00 H new ATOM 804 N ALA A 51 -1.912 2.647 -2.427 1.00 0.00 N ATOM 805 CA ALA A 51 -1.830 1.219 -2.147 1.00 0.00 C ATOM 806 C ALA A 51 -2.658 0.848 -0.923 1.00 0.00 C ATOM 807 O ALA A 51 -3.413 -0.123 -0.942 1.00 0.00 O ATOM 808 CB ALA A 51 -0.382 0.799 -1.953 1.00 0.00 C ATOM 0 H ALA A 51 -1.011 3.124 -2.449 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.240 0.685 -3.005 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.338 -0.270 -1.745 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.184 1.016 -2.859 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.048 1.350 -1.116 1.00 0.00 H new ATOM 814 N PHE A 52 -2.511 1.630 0.142 1.00 0.00 N ATOM 815 CA PHE A 52 -3.268 1.405 1.368 1.00 0.00 C ATOM 816 C PHE A 52 -4.767 1.504 1.115 1.00 0.00 C ATOM 817 O PHE A 52 -5.518 0.572 1.406 1.00 0.00 O ATOM 818 CB PHE A 52 -2.859 2.414 2.441 1.00 0.00 C ATOM 819 CG PHE A 52 -3.693 2.342 3.689 1.00 0.00 C ATOM 820 CD1 PHE A 52 -3.612 1.245 4.532 1.00 0.00 C ATOM 821 CD2 PHE A 52 -4.560 3.373 4.021 1.00 0.00 C ATOM 822 CE1 PHE A 52 -4.379 1.178 5.680 1.00 0.00 C ATOM 823 CE2 PHE A 52 -5.326 3.310 5.168 1.00 0.00 C ATOM 824 CZ PHE A 52 -5.236 2.211 5.999 1.00 0.00 C ATOM 0 H PHE A 52 -1.874 2.426 0.180 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.042 0.398 1.717 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.814 2.248 2.703 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.928 3.420 2.026 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.942 0.433 4.289 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.637 4.235 3.375 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.307 0.317 6.328 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.996 4.120 5.415 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.835 2.160 6.896 1.00 0.00 H new ATOM 834 N GLU A 53 -5.198 2.637 0.573 1.00 0.00 N ATOM 835 CA GLU A 53 -6.615 2.888 0.343 1.00 0.00 C ATOM 836 C GLU A 53 -7.245 1.772 -0.480 1.00 0.00 C ATOM 837 O GLU A 53 -8.308 1.256 -0.135 1.00 0.00 O ATOM 838 CB GLU A 53 -6.812 4.230 -0.365 1.00 0.00 C ATOM 839 CG GLU A 53 -8.221 4.461 -0.895 1.00 0.00 C ATOM 840 CD GLU A 53 -9.249 4.559 0.198 1.00 0.00 C ATOM 841 OE1 GLU A 53 -8.880 4.849 1.310 1.00 0.00 O ATOM 842 OE2 GLU A 53 -10.404 4.341 -0.081 1.00 0.00 O ATOM 0 H GLU A 53 -4.584 3.398 0.284 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.109 2.920 1.314 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -6.562 5.033 0.328 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.109 4.295 -1.196 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.236 5.378 -1.484 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.489 3.646 -1.567 1.00 0.00 H new ATOM 849 N ILE A 54 -6.582 1.402 -1.571 1.00 0.00 N ATOM 850 CA ILE A 54 -7.101 0.380 -2.472 1.00 0.00 C ATOM 851 C ILE A 54 -7.134 -0.985 -1.797 1.00 0.00 C ATOM 852 O ILE A 54 -8.097 -1.737 -1.944 1.00 0.00 O ATOM 853 CB ILE A 54 -6.252 0.298 -3.755 1.00 0.00 C ATOM 854 CG1 ILE A 54 -6.419 1.572 -4.587 1.00 0.00 C ATOM 855 CG2 ILE A 54 -6.638 -0.927 -4.571 1.00 0.00 C ATOM 856 CD1 ILE A 54 -5.395 1.718 -5.692 1.00 0.00 C ATOM 0 H ILE A 54 -5.684 1.795 -1.852 1.00 0.00 H new ATOM 0 HA ILE A 54 -8.120 0.666 -2.735 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.204 0.206 -3.472 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.417 1.580 -5.026 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.354 2.437 -3.927 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.029 -0.970 -5.474 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.472 -1.826 -3.978 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.691 -0.864 -4.846 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.578 2.644 -6.237 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.395 1.743 -5.260 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.474 0.873 -6.376 1.00 0.00 H new ATOM 868 N LEU A 55 -6.077 -1.299 -1.057 1.00 0.00 N ATOM 869 CA LEU A 55 -5.936 -2.613 -0.440 1.00 0.00 C ATOM 870 C LEU A 55 -6.614 -2.658 0.923 1.00 0.00 C ATOM 871 O LEU A 55 -6.746 -3.723 1.526 1.00 0.00 O ATOM 872 CB LEU A 55 -4.452 -2.972 -0.293 1.00 0.00 C ATOM 873 CG LEU A 55 -3.659 -3.080 -1.601 1.00 0.00 C ATOM 874 CD1 LEU A 55 -2.197 -3.368 -1.290 1.00 0.00 C ATOM 875 CD2 LEU A 55 -4.261 -4.177 -2.469 1.00 0.00 C ATOM 0 H LEU A 55 -5.304 -0.661 -0.869 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.422 -3.341 -1.089 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.976 -2.220 0.337 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.378 -3.923 0.234 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.713 -2.139 -2.148 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.635 -3.444 -2.221 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.788 -2.559 -0.684 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.120 -4.307 -0.742 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.698 -4.255 -3.399 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.216 -5.127 -1.937 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.300 -3.935 -2.693 1.00 0.00 H new ATOM 887 N ASN A 56 -7.043 -1.495 1.403 1.00 0.00 N ATOM 888 CA ASN A 56 -7.809 -1.414 2.641 1.00 0.00 C ATOM 889 C ASN A 56 -9.280 -1.732 2.400 1.00 0.00 C ATOM 890 O ASN A 56 -9.832 -2.652 3.002 1.00 0.00 O ATOM 891 CB ASN A 56 -7.657 -0.044 3.274 1.00 0.00 C ATOM 892 CG ASN A 56 -8.349 0.058 4.605 1.00 0.00 C ATOM 893 OD1 ASN A 56 -8.063 -0.712 5.528 1.00 0.00 O ATOM 894 ND2 ASN A 56 -9.255 0.996 4.721 1.00 0.00 N ATOM 0 H ASN A 56 -6.873 -0.596 0.953 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.413 -2.160 3.330 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -6.597 0.178 3.402 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -8.062 0.711 2.600 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -9.758 1.114 5.601 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -9.458 1.609 3.932 1.00 0.00 H new ATOM 901 N ASP A 57 -9.908 -0.965 1.515 1.00 0.00 N ATOM 902 CA ASP A 57 -11.287 -1.228 1.116 1.00 0.00 C ATOM 903 C ASP A 57 -11.421 -2.600 0.468 1.00 0.00 C ATOM 904 O ASP A 57 -10.775 -2.887 -0.539 1.00 0.00 O ATOM 905 CB ASP A 57 -11.778 -0.148 0.148 1.00 0.00 C ATOM 906 CG ASP A 57 -13.250 -0.303 -0.211 1.00 0.00 C ATOM 907 OD1 ASP A 57 -14.074 0.218 0.504 1.00 0.00 O ATOM 908 OD2 ASP A 57 -13.538 -0.939 -1.196 1.00 0.00 O ATOM 0 H ASP A 57 -9.485 -0.156 1.060 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.902 -1.211 2.016 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.619 0.833 0.595 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.181 -0.184 -0.763 1.00 0.00 H new ATOM 913 N PRO A 58 -12.264 -3.444 1.053 1.00 0.00 N ATOM 914 CA PRO A 58 -12.409 -4.821 0.598 1.00 0.00 C ATOM 915 C PRO A 58 -12.723 -4.878 -0.893 1.00 0.00 C ATOM 916 O PRO A 58 -12.170 -5.701 -1.622 1.00 0.00 O ATOM 917 CB PRO A 58 -13.576 -5.343 1.441 1.00 0.00 C ATOM 918 CG PRO A 58 -13.465 -4.591 2.723 1.00 0.00 C ATOM 919 CD PRO A 58 -13.046 -3.205 2.311 1.00 0.00 C ATOM 0 HA PRO A 58 -11.502 -5.413 0.718 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -14.533 -5.160 0.953 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -13.501 -6.418 1.602 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -14.415 -4.576 3.258 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -12.731 -5.046 3.388 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -13.907 -2.560 2.134 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -12.439 -2.723 3.077 1.00 0.00 H new ATOM 927 N GLN A 59 -13.614 -3.997 -1.338 1.00 0.00 N ATOM 928 CA GLN A 59 -14.048 -3.986 -2.729 1.00 0.00 C ATOM 929 C GLN A 59 -12.907 -3.595 -3.659 1.00 0.00 C ATOM 930 O GLN A 59 -12.637 -4.278 -4.648 1.00 0.00 O ATOM 931 CB GLN A 59 -15.226 -3.024 -2.916 1.00 0.00 C ATOM 932 CG GLN A 59 -15.790 -2.996 -4.325 1.00 0.00 C ATOM 933 CD GLN A 59 -17.015 -2.109 -4.440 1.00 0.00 C ATOM 934 OE1 GLN A 59 -17.410 -1.444 -3.479 1.00 0.00 O ATOM 935 NE2 GLN A 59 -17.624 -2.093 -5.620 1.00 0.00 N ATOM 0 H GLN A 59 -14.049 -3.282 -0.755 1.00 0.00 H new ATOM 0 HA GLN A 59 -14.368 -4.996 -2.985 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -16.021 -3.302 -2.224 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -14.905 -2.018 -2.645 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -15.023 -2.642 -5.014 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -16.049 -4.010 -4.630 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -17.263 -2.659 -6.388 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -18.453 -1.515 -5.758 1.00 0.00 H new ATOM 944 N LYS A 60 -12.239 -2.492 -3.338 1.00 0.00 N ATOM 945 CA LYS A 60 -11.117 -2.015 -4.138 1.00 0.00 C ATOM 946 C LYS A 60 -9.991 -3.039 -4.172 1.00 0.00 C ATOM 947 O LYS A 60 -9.362 -3.250 -5.209 1.00 0.00 O ATOM 948 CB LYS A 60 -10.601 -0.682 -3.594 1.00 0.00 C ATOM 949 CG LYS A 60 -11.556 0.487 -3.783 1.00 0.00 C ATOM 950 CD LYS A 60 -10.974 1.774 -3.217 1.00 0.00 C ATOM 951 CE LYS A 60 -11.965 2.924 -3.318 1.00 0.00 C ATOM 952 NZ LYS A 60 -11.397 4.197 -2.796 1.00 0.00 N ATOM 0 H LYS A 60 -12.456 -1.911 -2.528 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.473 -1.867 -5.158 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.390 -0.795 -2.530 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.656 -0.446 -4.083 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.769 0.617 -4.844 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -12.504 0.268 -3.292 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.697 1.622 -2.174 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.061 2.030 -3.755 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.260 3.058 -4.359 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.868 2.674 -2.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.121 4.942 -2.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.092 4.063 -1.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.580 4.476 -3.376 1.00 0.00 H new ATOM 966 N ARG A 61 -9.740 -3.675 -3.032 1.00 0.00 N ATOM 967 CA ARG A 61 -8.696 -4.688 -2.934 1.00 0.00 C ATOM 968 C ARG A 61 -8.966 -5.850 -3.881 1.00 0.00 C ATOM 969 O ARG A 61 -8.077 -6.285 -4.614 1.00 0.00 O ATOM 970 CB ARG A 61 -8.593 -5.211 -1.509 1.00 0.00 C ATOM 971 CG ARG A 61 -7.533 -6.283 -1.298 1.00 0.00 C ATOM 972 CD ARG A 61 -7.613 -6.872 0.064 1.00 0.00 C ATOM 973 NE ARG A 61 -8.946 -7.368 0.363 1.00 0.00 N ATOM 974 CZ ARG A 61 -9.501 -8.458 -0.202 1.00 0.00 C ATOM 975 NH1 ARG A 61 -8.828 -9.153 -1.090 1.00 0.00 N ATOM 976 NH2 ARG A 61 -10.723 -8.829 0.139 1.00 0.00 N ATOM 0 H ARG A 61 -10.246 -3.506 -2.163 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.754 -4.218 -3.217 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.381 -4.374 -0.844 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -9.562 -5.615 -1.214 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.657 -7.069 -2.043 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.544 -5.852 -1.451 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.895 -7.687 0.150 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.331 -6.120 0.802 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.500 -6.855 1.049 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.884 -8.868 -1.352 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.249 -9.978 -1.517 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -11.246 -8.290 0.830 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.143 -9.654 -0.289 1.00 0.00 H new ATOM 990 N GLU A 62 -10.197 -6.349 -3.861 1.00 0.00 N ATOM 991 CA GLU A 62 -10.587 -7.458 -4.723 1.00 0.00 C ATOM 992 C GLU A 62 -10.473 -7.080 -6.195 1.00 0.00 C ATOM 993 O GLU A 62 -10.048 -7.886 -7.022 1.00 0.00 O ATOM 994 CB GLU A 62 -12.019 -7.900 -4.410 1.00 0.00 C ATOM 995 CG GLU A 62 -12.164 -8.689 -3.116 1.00 0.00 C ATOM 996 CD GLU A 62 -11.522 -10.047 -3.184 1.00 0.00 C ATOM 997 OE1 GLU A 62 -11.473 -10.608 -4.253 1.00 0.00 O ATOM 998 OE2 GLU A 62 -11.079 -10.524 -2.165 1.00 0.00 O ATOM 0 H GLU A 62 -10.942 -6.003 -3.257 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.905 -8.286 -4.527 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -12.656 -7.017 -4.356 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.387 -8.509 -5.236 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.718 -8.122 -2.299 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -13.223 -8.804 -2.883 1.00 0.00 H new ATOM 1005 N ILE A 63 -10.856 -5.848 -6.514 1.00 0.00 N ATOM 1006 CA ILE A 63 -10.742 -5.340 -7.876 1.00 0.00 C ATOM 1007 C ILE A 63 -9.292 -5.332 -8.341 1.00 0.00 C ATOM 1008 O ILE A 63 -8.988 -5.726 -9.467 1.00 0.00 O ATOM 1009 CB ILE A 63 -11.324 -3.918 -7.982 1.00 0.00 C ATOM 1010 CG1 ILE A 63 -12.843 -3.948 -7.792 1.00 0.00 C ATOM 1011 CG2 ILE A 63 -10.962 -3.294 -9.320 1.00 0.00 C ATOM 1012 CD1 ILE A 63 -13.457 -2.585 -7.565 1.00 0.00 C ATOM 0 H ILE A 63 -11.248 -5.183 -5.847 1.00 0.00 H new ATOM 0 HA ILE A 63 -11.313 -6.008 -8.521 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.891 -3.305 -7.191 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -13.301 -4.400 -8.672 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -13.081 -4.589 -6.943 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -11.381 -2.289 -9.378 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -9.877 -3.241 -9.415 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -11.368 -3.904 -10.127 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -14.535 -2.688 -7.439 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -13.028 -2.137 -6.668 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -13.251 -1.946 -8.424 1.00 0.00 H new ATOM 1024 N TYR A 64 -8.398 -4.880 -7.469 1.00 0.00 N ATOM 1025 CA TYR A 64 -6.968 -4.901 -7.754 1.00 0.00 C ATOM 1026 C TYR A 64 -6.468 -6.326 -7.950 1.00 0.00 C ATOM 1027 O TYR A 64 -5.799 -6.629 -8.938 1.00 0.00 O ATOM 1028 CB TYR A 64 -6.187 -4.215 -6.631 1.00 0.00 C ATOM 1029 CG TYR A 64 -4.686 -4.287 -6.800 1.00 0.00 C ATOM 1030 CD1 TYR A 64 -4.057 -3.508 -7.758 1.00 0.00 C ATOM 1031 CD2 TYR A 64 -3.938 -5.133 -5.994 1.00 0.00 C ATOM 1032 CE1 TYR A 64 -2.685 -3.574 -7.912 1.00 0.00 C ATOM 1033 CE2 TYR A 64 -2.567 -5.199 -6.147 1.00 0.00 C ATOM 1034 CZ TYR A 64 -1.941 -4.424 -7.102 1.00 0.00 C ATOM 1035 OH TYR A 64 -0.574 -4.490 -7.255 1.00 0.00 O ATOM 0 H TYR A 64 -8.639 -4.494 -6.556 1.00 0.00 H new ATOM 0 HA TYR A 64 -6.804 -4.353 -8.682 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.488 -3.169 -6.579 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -6.459 -4.673 -5.680 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -4.639 -2.849 -8.385 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.428 -5.740 -5.247 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -2.193 -2.968 -8.658 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -1.985 -5.857 -5.519 1.00 0.00 H new ATOM 0 HH TYR A 64 -0.342 -4.336 -8.195 1.00 0.00 H new ATOM 1045 N ASP A 65 -6.796 -7.199 -7.002 1.00 0.00 N ATOM 1046 CA ASP A 65 -6.308 -8.573 -7.025 1.00 0.00 C ATOM 1047 C ASP A 65 -6.798 -9.311 -8.264 1.00 0.00 C ATOM 1048 O ASP A 65 -6.077 -10.128 -8.838 1.00 0.00 O ATOM 1049 CB ASP A 65 -6.757 -9.321 -5.767 1.00 0.00 C ATOM 1050 CG ASP A 65 -6.050 -8.840 -4.508 1.00 0.00 C ATOM 1051 OD1 ASP A 65 -5.040 -8.187 -4.630 1.00 0.00 O ATOM 1052 OD2 ASP A 65 -6.527 -9.129 -3.437 1.00 0.00 O ATOM 0 H ASP A 65 -7.398 -6.979 -6.208 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.219 -8.538 -7.053 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.833 -9.199 -5.642 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -6.570 -10.387 -5.898 1.00 0.00 H new ATOM 1057 N GLN A 66 -8.029 -9.019 -8.673 1.00 0.00 N ATOM 1058 CA GLN A 66 -8.668 -9.747 -9.762 1.00 0.00 C ATOM 1059 C GLN A 66 -8.314 -9.140 -11.113 1.00 0.00 C ATOM 1060 O GLN A 66 -8.086 -9.857 -12.086 1.00 0.00 O ATOM 1061 CB GLN A 66 -10.188 -9.764 -9.577 1.00 0.00 C ATOM 1062 CG GLN A 66 -10.662 -10.595 -8.396 1.00 0.00 C ATOM 1063 CD GLN A 66 -12.168 -10.547 -8.224 1.00 0.00 C ATOM 1064 OE1 GLN A 66 -12.919 -10.508 -9.204 1.00 0.00 O ATOM 1065 NE2 GLN A 66 -12.620 -10.550 -6.975 1.00 0.00 N ATOM 0 H GLN A 66 -8.604 -8.282 -8.265 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.296 -10.771 -9.740 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -10.539 -8.740 -9.451 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.649 -10.149 -10.486 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -10.347 -11.630 -8.533 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -10.183 -10.234 -7.486 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -11.963 -10.583 -6.195 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -13.624 -10.519 -6.796 1.00 0.00 H new ATOM 1074 N TYR A 67 -8.273 -7.813 -11.167 1.00 0.00 N ATOM 1075 CA TYR A 67 -8.215 -7.097 -12.436 1.00 0.00 C ATOM 1076 C TYR A 67 -6.924 -6.299 -12.558 1.00 0.00 C ATOM 1077 O TYR A 67 -6.263 -6.323 -13.596 1.00 0.00 O ATOM 1078 CB TYR A 67 -9.427 -6.176 -12.587 1.00 0.00 C ATOM 1079 CG TYR A 67 -10.755 -6.898 -12.519 1.00 0.00 C ATOM 1080 CD1 TYR A 67 -11.164 -7.698 -13.577 1.00 0.00 C ATOM 1081 CD2 TYR A 67 -11.563 -6.759 -11.402 1.00 0.00 C ATOM 1082 CE1 TYR A 67 -12.377 -8.358 -13.515 1.00 0.00 C ATOM 1083 CE2 TYR A 67 -12.775 -7.418 -11.340 1.00 0.00 C ATOM 1084 CZ TYR A 67 -13.183 -8.213 -12.391 1.00 0.00 C ATOM 1085 OH TYR A 67 -14.390 -8.871 -12.329 1.00 0.00 O ATOM 0 H TYR A 67 -8.279 -7.210 -10.344 1.00 0.00 H new ATOM 0 HA TYR A 67 -8.233 -7.834 -13.239 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -9.396 -5.418 -11.804 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -9.357 -5.652 -13.540 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -10.535 -7.805 -14.448 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -11.245 -6.135 -10.580 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -12.697 -8.983 -14.335 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -13.404 -7.311 -10.468 1.00 0.00 H new ATOM 0 HH TYR A 67 -14.831 -8.666 -11.478 1.00 0.00 H new ATOM 1095 N GLY A 68 -6.571 -5.588 -11.492 1.00 0.00 N ATOM 1096 CA GLY A 68 -5.298 -4.879 -11.431 1.00 0.00 C ATOM 1097 C GLY A 68 -5.499 -3.419 -11.048 1.00 0.00 C ATOM 1098 O GLY A 68 -6.619 -2.985 -10.782 1.00 0.00 O ATOM 0 H GLY A 68 -7.149 -5.488 -10.658 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.644 -5.362 -10.704 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.799 -4.939 -12.398 1.00 0.00 H new ATOM 1102 N LEU A 69 -4.404 -2.665 -11.020 1.00 0.00 N ATOM 1103 CA LEU A 69 -4.437 -1.285 -10.547 1.00 0.00 C ATOM 1104 C LEU A 69 -5.313 -0.417 -11.442 1.00 0.00 C ATOM 1105 O LEU A 69 -6.145 0.350 -10.957 1.00 0.00 O ATOM 1106 CB LEU A 69 -3.017 -0.709 -10.496 1.00 0.00 C ATOM 1107 CG LEU A 69 -2.908 0.756 -10.051 1.00 0.00 C ATOM 1108 CD1 LEU A 69 -3.505 0.910 -8.660 1.00 0.00 C ATOM 1109 CD2 LEU A 69 -1.450 1.186 -10.073 1.00 0.00 C ATOM 0 H LEU A 69 -3.483 -2.986 -11.319 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.864 -1.285 -9.544 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.421 -1.320 -9.819 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.571 -0.803 -11.486 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.464 1.396 -10.736 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.428 1.950 -8.344 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.554 0.614 -8.679 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.962 0.276 -7.959 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.373 2.226 -9.757 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.875 0.557 -9.394 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.056 1.084 -11.084 1.00 0.00 H new ATOM 1121 N GLU A 70 -5.120 -0.543 -12.751 1.00 0.00 N ATOM 1122 CA GLU A 70 -5.887 0.235 -13.716 1.00 0.00 C ATOM 1123 C GLU A 70 -7.381 0.155 -13.427 1.00 0.00 C ATOM 1124 O GLU A 70 -8.075 1.172 -13.406 1.00 0.00 O ATOM 1125 CB GLU A 70 -5.607 -0.253 -15.138 1.00 0.00 C ATOM 1126 CG GLU A 70 -6.336 0.524 -16.226 1.00 0.00 C ATOM 1127 CD GLU A 70 -6.019 0.030 -17.610 1.00 0.00 C ATOM 1128 OE1 GLU A 70 -5.245 -0.888 -17.731 1.00 0.00 O ATOM 1129 OE2 GLU A 70 -6.552 0.572 -18.549 1.00 0.00 O ATOM 0 H GLU A 70 -4.438 -1.177 -13.168 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.575 1.276 -13.626 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.535 -0.195 -15.324 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.887 -1.304 -15.210 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.411 0.453 -16.058 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.070 1.579 -16.152 1.00 0.00 H new ATOM 1136 N ALA A 71 -7.870 -1.060 -13.203 1.00 0.00 N ATOM 1137 CA ALA A 71 -9.272 -1.270 -12.863 1.00 0.00 C ATOM 1138 C ALA A 71 -9.618 -0.625 -11.527 1.00 0.00 C ATOM 1139 O ALA A 71 -10.650 0.032 -11.392 1.00 0.00 O ATOM 1140 CB ALA A 71 -9.591 -2.759 -12.828 1.00 0.00 C ATOM 0 H ALA A 71 -7.315 -1.915 -13.251 1.00 0.00 H new ATOM 0 HA ALA A 71 -9.879 -0.796 -13.634 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.641 -2.900 -12.573 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.393 -3.197 -13.807 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -8.967 -3.247 -12.080 1.00 0.00 H new ATOM 1146 N ALA A 72 -8.747 -0.814 -10.540 1.00 0.00 N ATOM 1147 CA ALA A 72 -8.966 -0.262 -9.209 1.00 0.00 C ATOM 1148 C ALA A 72 -9.075 1.257 -9.254 1.00 0.00 C ATOM 1149 O ALA A 72 -9.856 1.855 -8.515 1.00 0.00 O ATOM 1150 CB ALA A 72 -7.846 -0.685 -8.270 1.00 0.00 C ATOM 0 H ALA A 72 -7.882 -1.346 -10.638 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.910 -0.656 -8.832 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.023 -0.265 -7.280 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.818 -1.773 -8.203 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.893 -0.321 -8.653 1.00 0.00 H new