USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 761 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 3 LYS NZ :NH3+ -169:sc= 1 (180deg=0.91) USER MOD Set 1.2: A 5 ASN : amide:sc=-0.00723 X(o=0.99,f=0.58) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 85:sc= 0.436 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 12 LYS NZ :NH3+ -128:sc= -0.281 (180deg=-0.652) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.754 K(o=-0.75,f=-0.032) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.0856 K(o=-0.086,f=-0.7) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.393 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.188 X(o=-0.19,f=-0.014) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 HIS : no HD1:sc=-0.00632 X(o=-0.0063,f=-0.0063) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 140:sc= -2.68! USER MOD Single : A 60 HIS : no HD1:sc= -3.19 K(o=-3.2,f=-2.6!) USER MOD Single : A 62 LYS NZ :NH3+ -121:sc= 0.136 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot -57:sc= 0.94 USER MOD Single : A 84 HIS : no HD1:sc= -1.15 K(o=-1.1,f=-0.087) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N LEU A 2 -11.074 -3.671 9.160 1.00 0.00 N ATOM 21 CA LEU A 2 -11.987 -3.786 8.030 1.00 0.00 C ATOM 22 C LEU A 2 -11.519 -4.869 7.062 1.00 0.00 C ATOM 23 O LEU A 2 -10.364 -5.294 7.102 1.00 0.00 O ATOM 24 CB LEU A 2 -12.099 -2.447 7.298 1.00 0.00 C ATOM 25 CG LEU A 2 -12.390 -1.244 8.196 1.00 0.00 C ATOM 26 CD1 LEU A 2 -11.984 0.048 7.504 1.00 0.00 C ATOM 27 CD2 LEU A 2 -13.863 -1.207 8.574 1.00 0.00 C ATOM 0 HA LEU A 2 -12.968 -4.065 8.415 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -11.168 -2.264 6.761 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -12.889 -2.523 6.550 1.00 0.00 H new ATOM 0 HG LEU A 2 -11.802 -1.344 9.109 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -12.198 0.894 8.158 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -10.917 0.022 7.282 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -12.545 0.156 6.576 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -14.053 -0.345 9.213 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -14.469 -1.130 7.671 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -14.124 -2.120 9.109 1.00 0.00 H new ATOM 39 N LYS A 3 -12.423 -5.313 6.195 1.00 0.00 N ATOM 40 CA LYS A 3 -12.102 -6.346 5.219 1.00 0.00 C ATOM 41 C LYS A 3 -10.984 -5.885 4.289 1.00 0.00 C ATOM 42 O LYS A 3 -10.964 -4.736 3.847 1.00 0.00 O ATOM 43 CB LYS A 3 -13.345 -6.710 4.404 1.00 0.00 C ATOM 44 CG LYS A 3 -13.639 -8.201 4.375 1.00 0.00 C ATOM 45 CD LYS A 3 -12.737 -8.927 3.390 1.00 0.00 C ATOM 46 CE LYS A 3 -13.144 -8.650 1.952 1.00 0.00 C ATOM 47 NZ LYS A 3 -12.177 -9.230 0.978 1.00 0.00 N ATOM 0 H LYS A 3 -13.384 -4.973 6.149 1.00 0.00 H new ATOM 0 HA LYS A 3 -11.760 -7.229 5.758 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -14.207 -6.186 4.818 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -13.216 -6.354 3.382 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -13.502 -8.619 5.372 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -14.682 -8.362 4.102 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -11.704 -8.615 3.543 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -12.778 -9.999 3.580 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -14.135 -9.064 1.769 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -13.215 -7.574 1.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -12.383 -8.866 0.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -11.209 -8.963 1.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -12.263 -10.266 0.978 1.00 0.00 H new ATOM 61 N LEU A 4 -10.053 -6.788 3.997 1.00 0.00 N ATOM 62 CA LEU A 4 -8.931 -6.473 3.121 1.00 0.00 C ATOM 63 C LEU A 4 -8.979 -7.315 1.850 1.00 0.00 C ATOM 64 O LEU A 4 -9.549 -8.406 1.837 1.00 0.00 O ATOM 65 CB LEU A 4 -7.606 -6.706 3.850 1.00 0.00 C ATOM 66 CG LEU A 4 -6.354 -6.341 3.051 1.00 0.00 C ATOM 67 CD1 LEU A 4 -5.291 -5.747 3.962 1.00 0.00 C ATOM 68 CD2 LEU A 4 -5.812 -7.563 2.325 1.00 0.00 C ATOM 0 H LEU A 4 -10.054 -7.743 4.354 1.00 0.00 H new ATOM 0 HA LEU A 4 -9.005 -5.422 2.842 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.610 -6.127 4.774 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.544 -7.757 4.133 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.627 -5.591 2.309 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.408 -5.494 3.375 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.681 -4.847 4.437 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.021 -6.474 4.728 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -4.921 -7.286 1.761 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.556 -8.334 3.052 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -6.570 -7.946 1.641 1.00 0.00 H new ATOM 80 N ASN A 5 -8.375 -6.800 0.783 1.00 0.00 N ATOM 81 CA ASN A 5 -8.348 -7.502 -0.493 1.00 0.00 C ATOM 82 C ASN A 5 -6.956 -7.442 -1.116 1.00 0.00 C ATOM 83 O ASN A 5 -6.074 -6.743 -0.618 1.00 0.00 O ATOM 84 CB ASN A 5 -9.374 -6.900 -1.453 1.00 0.00 C ATOM 85 CG ASN A 5 -10.022 -7.946 -2.339 1.00 0.00 C ATOM 86 OD1 ASN A 5 -10.545 -8.949 -1.854 1.00 0.00 O ATOM 87 ND2 ASN A 5 -9.990 -7.715 -3.647 1.00 0.00 N ATOM 0 H ASN A 5 -7.898 -5.898 0.778 1.00 0.00 H new ATOM 0 HA ASN A 5 -8.602 -8.546 -0.310 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.145 -6.385 -0.880 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -8.887 -6.151 -2.077 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -10.410 -8.383 -4.293 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -9.545 -6.870 -4.005 1.00 0.00 H new ATOM 94 N LEU A 6 -6.766 -8.178 -2.205 1.00 0.00 N ATOM 95 CA LEU A 6 -5.481 -8.207 -2.894 1.00 0.00 C ATOM 96 C LEU A 6 -5.674 -8.203 -4.406 1.00 0.00 C ATOM 97 O LEU A 6 -6.345 -9.074 -4.959 1.00 0.00 O ATOM 98 CB LEU A 6 -4.681 -9.440 -2.472 1.00 0.00 C ATOM 99 CG LEU A 6 -4.090 -9.378 -1.062 1.00 0.00 C ATOM 100 CD1 LEU A 6 -5.019 -10.053 -0.065 1.00 0.00 C ATOM 101 CD2 LEU A 6 -2.713 -10.024 -1.030 1.00 0.00 C ATOM 0 H LEU A 6 -7.486 -8.763 -2.630 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.927 -7.311 -2.616 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.328 -10.315 -2.540 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.869 -9.588 -3.184 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.984 -8.331 -0.780 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -4.583 -10.000 0.933 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.984 -9.547 -0.067 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -5.157 -11.097 -0.345 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.309 -9.970 -0.019 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.794 -11.068 -1.333 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.048 -9.498 -1.715 1.00 0.00 H new ATOM 113 N LYS A 7 -5.079 -7.217 -5.070 1.00 0.00 N ATOM 114 CA LYS A 7 -5.184 -7.099 -6.520 1.00 0.00 C ATOM 115 C LYS A 7 -3.947 -7.678 -7.202 1.00 0.00 C ATOM 116 O LYS A 7 -2.897 -7.827 -6.581 1.00 0.00 O ATOM 117 CB LYS A 7 -5.363 -5.634 -6.921 1.00 0.00 C ATOM 118 CG LYS A 7 -6.809 -5.168 -6.890 1.00 0.00 C ATOM 119 CD LYS A 7 -7.537 -5.525 -8.176 1.00 0.00 C ATOM 120 CE LYS A 7 -8.983 -5.909 -7.911 1.00 0.00 C ATOM 121 NZ LYS A 7 -9.809 -5.859 -9.148 1.00 0.00 N ATOM 0 H LYS A 7 -4.519 -6.488 -4.627 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.056 -7.666 -6.845 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.774 -5.008 -6.251 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.965 -5.489 -7.925 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.321 -5.623 -6.042 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.841 -4.089 -6.740 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.504 -4.677 -8.861 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.024 -6.352 -8.668 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.020 -6.914 -7.491 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.406 -5.236 -7.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -10.788 -6.128 -8.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -9.795 -4.894 -9.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -9.422 -6.520 -9.851 1.00 0.00 H new ATOM 135 N LYS A 8 -4.082 -8.003 -8.485 1.00 0.00 N ATOM 136 CA LYS A 8 -2.976 -8.565 -9.250 1.00 0.00 C ATOM 137 C LYS A 8 -1.791 -7.605 -9.278 1.00 0.00 C ATOM 138 O LYS A 8 -0.635 -8.029 -9.269 1.00 0.00 O ATOM 139 CB LYS A 8 -3.425 -8.881 -10.679 1.00 0.00 C ATOM 140 CG LYS A 8 -2.402 -9.673 -11.476 1.00 0.00 C ATOM 141 CD LYS A 8 -2.381 -9.249 -12.934 1.00 0.00 C ATOM 142 CE LYS A 8 -1.844 -10.355 -13.828 1.00 0.00 C ATOM 143 NZ LYS A 8 -2.935 -11.219 -14.359 1.00 0.00 N ATOM 0 H LYS A 8 -4.946 -7.887 -9.015 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.662 -9.488 -8.763 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.358 -9.443 -10.642 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.635 -7.947 -11.200 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.413 -9.532 -11.041 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.631 -10.736 -11.409 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.389 -8.981 -13.251 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.764 -8.357 -13.046 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.293 -9.915 -14.659 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.138 -10.966 -13.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.527 -11.961 -14.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.445 -11.660 -13.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.595 -10.641 -14.917 1.00 0.00 H new ATOM 157 N SER A 9 -2.086 -6.310 -9.313 1.00 0.00 N ATOM 158 CA SER A 9 -1.047 -5.287 -9.342 1.00 0.00 C ATOM 159 C SER A 9 -0.320 -5.207 -8.003 1.00 0.00 C ATOM 160 O SER A 9 0.831 -4.777 -7.936 1.00 0.00 O ATOM 161 CB SER A 9 -1.651 -3.926 -9.689 1.00 0.00 C ATOM 162 OG SER A 9 -3.004 -3.847 -9.273 1.00 0.00 O ATOM 0 H SER A 9 -3.038 -5.943 -9.322 1.00 0.00 H new ATOM 0 HA SER A 9 -0.324 -5.563 -10.110 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.073 -3.136 -9.210 1.00 0.00 H new ATOM 0 HB3 SER A 9 -1.588 -3.760 -10.764 1.00 0.00 H new ATOM 0 HG SER A 9 -3.042 -3.578 -8.332 1.00 0.00 H new ATOM 168 N PHE A 10 -0.999 -5.622 -6.938 1.00 0.00 N ATOM 169 CA PHE A 10 -0.415 -5.592 -5.601 1.00 0.00 C ATOM 170 C PHE A 10 0.405 -6.850 -5.335 1.00 0.00 C ATOM 171 O PHE A 10 1.416 -6.809 -4.635 1.00 0.00 O ATOM 172 CB PHE A 10 -1.512 -5.453 -4.547 1.00 0.00 C ATOM 173 CG PHE A 10 -0.985 -5.267 -3.153 1.00 0.00 C ATOM 174 CD1 PHE A 10 -0.560 -6.355 -2.407 1.00 0.00 C ATOM 175 CD2 PHE A 10 -0.912 -4.003 -2.588 1.00 0.00 C ATOM 176 CE1 PHE A 10 -0.072 -6.186 -1.125 1.00 0.00 C ATOM 177 CE2 PHE A 10 -0.427 -3.829 -1.306 1.00 0.00 C ATOM 178 CZ PHE A 10 -0.006 -4.922 -0.574 1.00 0.00 C ATOM 0 H PHE A 10 -1.952 -5.982 -6.974 1.00 0.00 H new ATOM 0 HA PHE A 10 0.249 -4.729 -5.542 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.145 -4.604 -4.803 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -2.144 -6.341 -4.572 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.611 -7.346 -2.832 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.238 -3.145 -3.156 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.257 -7.042 -0.555 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.377 -2.839 -0.877 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.374 -4.788 0.428 1.00 0.00 H new ATOM 188 N GLN A 11 -0.037 -7.969 -5.892 1.00 0.00 N ATOM 189 CA GLN A 11 0.658 -9.237 -5.708 1.00 0.00 C ATOM 190 C GLN A 11 2.099 -9.151 -6.206 1.00 0.00 C ATOM 191 O GLN A 11 2.991 -9.815 -5.677 1.00 0.00 O ATOM 192 CB GLN A 11 -0.078 -10.359 -6.441 1.00 0.00 C ATOM 193 CG GLN A 11 -1.439 -10.681 -5.846 1.00 0.00 C ATOM 194 CD GLN A 11 -2.030 -11.962 -6.402 1.00 0.00 C ATOM 195 OE1 GLN A 11 -1.337 -12.970 -6.544 1.00 0.00 O ATOM 196 NE2 GLN A 11 -3.319 -11.929 -6.723 1.00 0.00 N ATOM 0 H GLN A 11 -0.872 -8.025 -6.474 1.00 0.00 H new ATOM 0 HA GLN A 11 0.675 -9.457 -4.641 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.205 -10.077 -7.486 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.538 -11.258 -6.426 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.347 -10.768 -4.763 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.122 -9.855 -6.043 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.856 -11.072 -6.589 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.771 -12.760 -7.103 1.00 0.00 H new ATOM 205 N LYS A 12 2.318 -8.333 -7.231 1.00 0.00 N ATOM 206 CA LYS A 12 3.649 -8.166 -7.808 1.00 0.00 C ATOM 207 C LYS A 12 4.424 -7.031 -7.134 1.00 0.00 C ATOM 208 O LYS A 12 5.599 -6.810 -7.433 1.00 0.00 O ATOM 209 CB LYS A 12 3.541 -7.900 -9.310 1.00 0.00 C ATOM 210 CG LYS A 12 2.609 -8.860 -10.033 1.00 0.00 C ATOM 211 CD LYS A 12 2.655 -8.654 -11.537 1.00 0.00 C ATOM 212 CE LYS A 12 3.528 -9.696 -12.218 1.00 0.00 C ATOM 213 NZ LYS A 12 3.005 -11.076 -12.015 1.00 0.00 N ATOM 0 H LYS A 12 1.591 -7.775 -7.680 1.00 0.00 H new ATOM 0 HA LYS A 12 4.199 -9.092 -7.638 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.190 -6.880 -9.465 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.534 -7.967 -9.755 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.888 -9.887 -9.797 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.589 -8.717 -9.676 1.00 0.00 H new ATOM 0 HD2 LYS A 12 1.645 -8.704 -11.943 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.038 -7.658 -11.757 1.00 0.00 H new ATOM 0 HE2 LYS A 12 3.583 -9.482 -13.285 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.543 -9.631 -11.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 3.765 -11.685 -11.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.220 -11.053 -11.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 2.664 -11.455 -12.922 1.00 0.00 H new ATOM 227 N ASP A 13 3.772 -6.309 -6.231 1.00 0.00 N ATOM 228 CA ASP A 13 4.418 -5.201 -5.536 1.00 0.00 C ATOM 229 C ASP A 13 5.081 -5.665 -4.237 1.00 0.00 C ATOM 230 O ASP A 13 5.926 -4.967 -3.676 1.00 0.00 O ATOM 231 CB ASP A 13 3.409 -4.077 -5.258 1.00 0.00 C ATOM 232 CG ASP A 13 2.452 -4.378 -4.111 1.00 0.00 C ATOM 233 OD1 ASP A 13 2.756 -5.267 -3.288 1.00 0.00 O ATOM 234 OD2 ASP A 13 1.398 -3.716 -4.034 1.00 0.00 O ATOM 0 H ASP A 13 2.801 -6.469 -5.963 1.00 0.00 H new ATOM 0 HA ASP A 13 5.201 -4.812 -6.186 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.954 -3.160 -5.033 1.00 0.00 H new ATOM 0 HB3 ASP A 13 2.830 -3.890 -6.162 1.00 0.00 H new ATOM 239 N PHE A 14 4.685 -6.839 -3.765 1.00 0.00 N ATOM 240 CA PHE A 14 5.225 -7.395 -2.535 1.00 0.00 C ATOM 241 C PHE A 14 6.440 -8.275 -2.811 1.00 0.00 C ATOM 242 O PHE A 14 7.553 -7.951 -2.411 1.00 0.00 O ATOM 243 CB PHE A 14 4.142 -8.197 -1.808 1.00 0.00 C ATOM 244 CG PHE A 14 4.623 -8.882 -0.559 1.00 0.00 C ATOM 245 CD1 PHE A 14 5.294 -10.093 -0.632 1.00 0.00 C ATOM 246 CD2 PHE A 14 4.401 -8.320 0.687 1.00 0.00 C ATOM 247 CE1 PHE A 14 5.735 -10.728 0.513 1.00 0.00 C ATOM 248 CE2 PHE A 14 4.837 -8.950 1.836 1.00 0.00 C ATOM 249 CZ PHE A 14 5.506 -10.155 1.750 1.00 0.00 C ATOM 0 H PHE A 14 3.987 -7.427 -4.220 1.00 0.00 H new ATOM 0 HA PHE A 14 5.549 -6.570 -1.901 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.321 -7.528 -1.550 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.740 -8.947 -2.490 1.00 0.00 H new ATOM 0 HD1 PHE A 14 5.474 -10.546 -1.596 1.00 0.00 H new ATOM 0 HD2 PHE A 14 3.880 -7.377 0.761 1.00 0.00 H new ATOM 0 HE1 PHE A 14 6.258 -11.670 0.442 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.655 -8.501 2.801 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.850 -10.649 2.647 1.00 0.00 H new ATOM 259 N ASP A 15 6.206 -9.397 -3.484 1.00 0.00 N ATOM 260 CA ASP A 15 7.268 -10.343 -3.805 1.00 0.00 C ATOM 261 C ASP A 15 7.902 -10.053 -5.163 1.00 0.00 C ATOM 262 O ASP A 15 9.122 -10.122 -5.311 1.00 0.00 O ATOM 263 CB ASP A 15 6.722 -11.772 -3.784 1.00 0.00 C ATOM 264 CG ASP A 15 6.880 -12.430 -2.426 1.00 0.00 C ATOM 265 OD1 ASP A 15 7.770 -12.004 -1.660 1.00 0.00 O ATOM 266 OD2 ASP A 15 6.114 -13.370 -2.129 1.00 0.00 O ATOM 0 H ASP A 15 5.284 -9.674 -3.819 1.00 0.00 H new ATOM 0 HA ASP A 15 8.043 -10.233 -3.046 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.667 -11.759 -4.058 1.00 0.00 H new ATOM 0 HB3 ASP A 15 7.240 -12.367 -4.536 1.00 0.00 H new ATOM 271 N LYS A 16 7.072 -9.751 -6.159 1.00 0.00 N ATOM 272 CA LYS A 16 7.574 -9.479 -7.503 1.00 0.00 C ATOM 273 C LYS A 16 8.303 -8.141 -7.572 1.00 0.00 C ATOM 274 O LYS A 16 9.059 -7.888 -8.511 1.00 0.00 O ATOM 275 CB LYS A 16 6.435 -9.513 -8.522 1.00 0.00 C ATOM 276 CG LYS A 16 6.878 -9.929 -9.916 1.00 0.00 C ATOM 277 CD LYS A 16 6.058 -11.098 -10.440 1.00 0.00 C ATOM 278 CE LYS A 16 6.635 -12.431 -9.988 1.00 0.00 C ATOM 279 NZ LYS A 16 6.719 -13.408 -11.109 1.00 0.00 N ATOM 0 H LYS A 16 6.058 -9.689 -6.062 1.00 0.00 H new ATOM 0 HA LYS A 16 8.290 -10.263 -7.748 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.667 -10.203 -8.173 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.976 -8.526 -8.575 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.782 -9.083 -10.596 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.933 -10.204 -9.896 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.030 -11.008 -10.090 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.028 -11.064 -11.529 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.629 -12.273 -9.569 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.015 -12.844 -9.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.117 -14.303 -10.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.768 -13.578 -11.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.331 -13.025 -11.858 1.00 0.00 H new ATOM 293 N LEU A 17 8.091 -7.290 -6.571 1.00 0.00 N ATOM 294 CA LEU A 17 8.751 -5.994 -6.536 1.00 0.00 C ATOM 295 C LEU A 17 10.172 -6.148 -6.022 1.00 0.00 C ATOM 296 O LEU A 17 11.091 -5.473 -6.486 1.00 0.00 O ATOM 297 CB LEU A 17 7.976 -5.020 -5.650 1.00 0.00 C ATOM 298 CG LEU A 17 8.000 -3.562 -6.109 1.00 0.00 C ATOM 299 CD1 LEU A 17 6.976 -2.743 -5.338 1.00 0.00 C ATOM 300 CD2 LEU A 17 9.392 -2.973 -5.939 1.00 0.00 C ATOM 0 H LEU A 17 7.472 -7.475 -5.781 1.00 0.00 H new ATOM 0 HA LEU A 17 8.780 -5.592 -7.549 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.939 -5.350 -5.596 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.381 -5.073 -4.639 1.00 0.00 H new ATOM 0 HG LEU A 17 7.739 -3.530 -7.167 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.007 -1.708 -5.678 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.980 -3.151 -5.509 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.206 -2.782 -4.273 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.391 -1.935 -6.271 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.680 -3.018 -4.889 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.104 -3.544 -6.536 1.00 0.00 H new ATOM 312 N LEU A 18 10.348 -7.048 -5.061 1.00 0.00 N ATOM 313 CA LEU A 18 11.672 -7.292 -4.489 1.00 0.00 C ATOM 314 C LEU A 18 12.602 -7.917 -5.524 1.00 0.00 C ATOM 315 O LEU A 18 13.769 -7.541 -5.630 1.00 0.00 O ATOM 316 CB LEU A 18 11.576 -8.202 -3.261 1.00 0.00 C ATOM 317 CG LEU A 18 10.255 -8.126 -2.499 1.00 0.00 C ATOM 318 CD1 LEU A 18 10.338 -8.914 -1.207 1.00 0.00 C ATOM 319 CD2 LEU A 18 9.878 -6.677 -2.227 1.00 0.00 C ATOM 0 H LEU A 18 9.601 -7.617 -4.663 1.00 0.00 H new ATOM 0 HA LEU A 18 12.083 -6.331 -4.182 1.00 0.00 H new ATOM 0 HB2 LEU A 18 11.735 -9.232 -3.579 1.00 0.00 H new ATOM 0 HB3 LEU A 18 12.387 -7.950 -2.577 1.00 0.00 H new ATOM 0 HG LEU A 18 9.475 -8.570 -3.117 1.00 0.00 H new ATOM 0 HD11 LEU A 18 9.387 -8.848 -0.679 1.00 0.00 H new ATOM 0 HD12 LEU A 18 10.556 -9.958 -1.431 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.130 -8.504 -0.581 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.934 -6.643 -1.683 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.658 -6.204 -1.630 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.772 -6.145 -3.172 1.00 0.00 H new ATOM 331 N LEU A 19 12.079 -8.874 -6.283 1.00 0.00 N ATOM 332 CA LEU A 19 12.863 -9.551 -7.310 1.00 0.00 C ATOM 333 C LEU A 19 13.359 -8.559 -8.358 1.00 0.00 C ATOM 334 O LEU A 19 14.501 -8.639 -8.812 1.00 0.00 O ATOM 335 CB LEU A 19 12.031 -10.649 -7.978 1.00 0.00 C ATOM 336 CG LEU A 19 12.303 -12.066 -7.470 1.00 0.00 C ATOM 337 CD1 LEU A 19 11.099 -12.961 -7.720 1.00 0.00 C ATOM 338 CD2 LEU A 19 13.544 -12.640 -8.137 1.00 0.00 C ATOM 0 H LEU A 19 11.115 -9.199 -6.206 1.00 0.00 H new ATOM 0 HA LEU A 19 13.729 -10.006 -6.830 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.975 -10.423 -7.832 1.00 0.00 H new ATOM 0 HB3 LEU A 19 12.217 -10.622 -9.052 1.00 0.00 H new ATOM 0 HG LEU A 19 12.480 -12.021 -6.395 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.310 -13.965 -7.353 1.00 0.00 H new ATOM 0 HD12 LEU A 19 10.231 -12.558 -7.198 1.00 0.00 H new ATOM 0 HD13 LEU A 19 10.892 -13.002 -8.789 1.00 0.00 H new ATOM 0 HD21 LEU A 19 13.724 -13.649 -7.765 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.395 -12.673 -9.216 1.00 0.00 H new ATOM 0 HD23 LEU A 19 14.404 -12.010 -7.909 1.00 0.00 H new ATOM 350 N ASN A 20 12.493 -7.625 -8.737 1.00 0.00 N ATOM 351 CA ASN A 20 12.841 -6.617 -9.733 1.00 0.00 C ATOM 352 C ASN A 20 14.065 -5.817 -9.294 1.00 0.00 C ATOM 353 O ASN A 20 14.813 -5.301 -10.125 1.00 0.00 O ATOM 354 CB ASN A 20 11.660 -5.676 -9.971 1.00 0.00 C ATOM 355 CG ASN A 20 11.806 -4.876 -11.250 1.00 0.00 C ATOM 356 OD1 ASN A 20 11.118 -5.133 -12.238 1.00 0.00 O ATOM 357 ND2 ASN A 20 12.705 -3.899 -11.237 1.00 0.00 N ATOM 0 H ASN A 20 11.545 -7.545 -8.370 1.00 0.00 H new ATOM 0 HA ASN A 20 13.080 -7.130 -10.664 1.00 0.00 H new ATOM 0 HB2 ASN A 20 10.739 -6.257 -10.013 1.00 0.00 H new ATOM 0 HB3 ASN A 20 11.568 -4.993 -9.127 1.00 0.00 H new ATOM 0 HD21 ASN A 20 12.847 -3.326 -12.069 1.00 0.00 H new ATOM 0 HD22 ASN A 20 13.253 -3.722 -10.395 1.00 0.00 H new ATOM 364 N GLY A 21 14.262 -5.716 -7.983 1.00 0.00 N ATOM 365 CA GLY A 21 15.397 -4.978 -7.457 1.00 0.00 C ATOM 366 C GLY A 21 15.007 -4.032 -6.338 1.00 0.00 C ATOM 367 O GLY A 21 15.511 -2.912 -6.261 1.00 0.00 O ATOM 0 H GLY A 21 13.656 -6.132 -7.275 1.00 0.00 H new ATOM 0 HA2 GLY A 21 16.145 -5.681 -7.090 1.00 0.00 H new ATOM 0 HA3 GLY A 21 15.862 -4.410 -8.263 1.00 0.00 H new ATOM 371 N PHE A 22 14.108 -4.484 -5.470 1.00 0.00 N ATOM 372 CA PHE A 22 13.651 -3.672 -4.350 1.00 0.00 C ATOM 373 C PHE A 22 13.965 -4.354 -3.022 1.00 0.00 C ATOM 374 O PHE A 22 14.079 -5.578 -2.953 1.00 0.00 O ATOM 375 CB PHE A 22 12.148 -3.418 -4.465 1.00 0.00 C ATOM 376 CG PHE A 22 11.608 -2.519 -3.390 1.00 0.00 C ATOM 377 CD1 PHE A 22 11.690 -1.141 -3.514 1.00 0.00 C ATOM 378 CD2 PHE A 22 11.018 -3.053 -2.257 1.00 0.00 C ATOM 379 CE1 PHE A 22 11.193 -0.312 -2.526 1.00 0.00 C ATOM 380 CE2 PHE A 22 10.518 -2.229 -1.264 1.00 0.00 C ATOM 381 CZ PHE A 22 10.606 -0.857 -1.400 1.00 0.00 C ATOM 0 H PHE A 22 13.682 -5.409 -5.521 1.00 0.00 H new ATOM 0 HA PHE A 22 14.178 -2.719 -4.380 1.00 0.00 H new ATOM 0 HB2 PHE A 22 11.936 -2.975 -5.438 1.00 0.00 H new ATOM 0 HB3 PHE A 22 11.622 -4.372 -4.427 1.00 0.00 H new ATOM 0 HD1 PHE A 22 12.147 -0.710 -4.392 1.00 0.00 H new ATOM 0 HD2 PHE A 22 10.947 -4.125 -2.147 1.00 0.00 H new ATOM 0 HE1 PHE A 22 11.263 0.760 -2.634 1.00 0.00 H new ATOM 0 HE2 PHE A 22 10.060 -2.657 -0.385 1.00 0.00 H new ATOM 0 HZ PHE A 22 10.216 -0.211 -0.627 1.00 0.00 H new ATOM 391 N ASP A 23 14.104 -3.555 -1.970 1.00 0.00 N ATOM 392 CA ASP A 23 14.406 -4.083 -0.645 1.00 0.00 C ATOM 393 C ASP A 23 13.226 -4.877 -0.093 1.00 0.00 C ATOM 394 O ASP A 23 12.084 -4.422 -0.131 1.00 0.00 O ATOM 395 CB ASP A 23 14.760 -2.943 0.311 1.00 0.00 C ATOM 396 CG ASP A 23 15.708 -3.384 1.410 1.00 0.00 C ATOM 397 OD1 ASP A 23 15.551 -4.518 1.910 1.00 0.00 O ATOM 398 OD2 ASP A 23 16.608 -2.596 1.769 1.00 0.00 O ATOM 0 H ASP A 23 14.012 -2.540 -2.009 1.00 0.00 H new ATOM 0 HA ASP A 23 15.261 -4.753 -0.734 1.00 0.00 H new ATOM 0 HB2 ASP A 23 15.215 -2.128 -0.252 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.847 -2.551 0.758 1.00 0.00 H new ATOM 403 N ASP A 24 13.513 -6.069 0.422 1.00 0.00 N ATOM 404 CA ASP A 24 12.478 -6.928 0.987 1.00 0.00 C ATOM 405 C ASP A 24 12.300 -6.662 2.478 1.00 0.00 C ATOM 406 O ASP A 24 11.230 -6.894 3.036 1.00 0.00 O ATOM 407 CB ASP A 24 12.829 -8.400 0.766 1.00 0.00 C ATOM 408 CG ASP A 24 14.248 -8.729 1.188 1.00 0.00 C ATOM 409 OD1 ASP A 24 15.191 -8.243 0.526 1.00 0.00 O ATOM 410 OD2 ASP A 24 14.416 -9.471 2.178 1.00 0.00 O ATOM 0 H ASP A 24 14.454 -6.462 0.460 1.00 0.00 H new ATOM 0 HA ASP A 24 11.541 -6.701 0.479 1.00 0.00 H new ATOM 0 HB2 ASP A 24 12.133 -9.024 1.326 1.00 0.00 H new ATOM 0 HB3 ASP A 24 12.701 -8.646 -0.288 1.00 0.00 H new ATOM 415 N SER A 25 13.359 -6.180 3.122 1.00 0.00 N ATOM 416 CA SER A 25 13.318 -5.890 4.552 1.00 0.00 C ATOM 417 C SER A 25 12.404 -4.704 4.852 1.00 0.00 C ATOM 418 O SER A 25 11.778 -4.646 5.909 1.00 0.00 O ATOM 419 CB SER A 25 14.728 -5.606 5.074 1.00 0.00 C ATOM 420 OG SER A 25 15.614 -6.662 4.749 1.00 0.00 O ATOM 0 H SER A 25 14.255 -5.982 2.677 1.00 0.00 H new ATOM 0 HA SER A 25 12.915 -6.766 5.059 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.096 -4.673 4.647 1.00 0.00 H new ATOM 0 HB3 SER A 25 14.699 -5.471 6.155 1.00 0.00 H new ATOM 0 HG SER A 25 16.509 -6.456 5.092 1.00 0.00 H new ATOM 426 N VAL A 26 12.338 -3.762 3.918 1.00 0.00 N ATOM 427 CA VAL A 26 11.503 -2.578 4.090 1.00 0.00 C ATOM 428 C VAL A 26 10.020 -2.935 4.072 1.00 0.00 C ATOM 429 O VAL A 26 9.206 -2.278 4.721 1.00 0.00 O ATOM 430 CB VAL A 26 11.785 -1.527 2.998 1.00 0.00 C ATOM 431 CG1 VAL A 26 11.432 -2.072 1.622 1.00 0.00 C ATOM 432 CG2 VAL A 26 11.021 -0.242 3.282 1.00 0.00 C ATOM 0 H VAL A 26 12.851 -3.794 3.037 1.00 0.00 H new ATOM 0 HA VAL A 26 11.755 -2.156 5.063 1.00 0.00 H new ATOM 0 HB VAL A 26 12.851 -1.300 3.009 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.639 -1.314 0.866 1.00 0.00 H new ATOM 0 HG12 VAL A 26 12.030 -2.960 1.418 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.374 -2.333 1.594 1.00 0.00 H new ATOM 0 HG21 VAL A 26 11.233 0.488 2.500 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.952 -0.452 3.303 1.00 0.00 H new ATOM 0 HG23 VAL A 26 11.331 0.160 4.247 1.00 0.00 H new ATOM 442 N LEU A 27 9.673 -3.978 3.324 1.00 0.00 N ATOM 443 CA LEU A 27 8.286 -4.416 3.222 1.00 0.00 C ATOM 444 C LEU A 27 7.762 -4.895 4.574 1.00 0.00 C ATOM 445 O LEU A 27 6.600 -4.677 4.912 1.00 0.00 O ATOM 446 CB LEU A 27 8.154 -5.526 2.173 1.00 0.00 C ATOM 447 CG LEU A 27 8.441 -6.947 2.671 1.00 0.00 C ATOM 448 CD1 LEU A 27 7.160 -7.615 3.145 1.00 0.00 C ATOM 449 CD2 LEU A 27 9.098 -7.771 1.578 1.00 0.00 C ATOM 0 H LEU A 27 10.333 -4.535 2.780 1.00 0.00 H new ATOM 0 HA LEU A 27 7.683 -3.564 2.909 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.142 -5.500 1.768 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.833 -5.305 1.349 1.00 0.00 H new ATOM 0 HG LEU A 27 9.128 -6.884 3.515 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.383 -8.623 3.495 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.728 -7.035 3.960 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.450 -7.666 2.320 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.295 -8.777 1.949 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.434 -7.826 0.715 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.037 -7.303 1.284 1.00 0.00 H new ATOM 461 N ASN A 28 8.629 -5.547 5.341 1.00 0.00 N ATOM 462 CA ASN A 28 8.256 -6.057 6.655 1.00 0.00 C ATOM 463 C ASN A 28 7.908 -4.919 7.611 1.00 0.00 C ATOM 464 O ASN A 28 7.255 -5.135 8.632 1.00 0.00 O ATOM 465 CB ASN A 28 9.392 -6.899 7.239 1.00 0.00 C ATOM 466 CG ASN A 28 8.886 -8.004 8.146 1.00 0.00 C ATOM 467 OD1 ASN A 28 7.906 -8.679 7.834 1.00 0.00 O ATOM 468 ND2 ASN A 28 9.555 -8.193 9.277 1.00 0.00 N ATOM 0 H ASN A 28 9.596 -5.735 5.075 1.00 0.00 H new ATOM 0 HA ASN A 28 7.372 -6.682 6.532 1.00 0.00 H new ATOM 0 HB2 ASN A 28 9.971 -7.337 6.426 1.00 0.00 H new ATOM 0 HB3 ASN A 28 10.068 -6.253 7.800 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.261 -8.922 9.927 1.00 0.00 H new ATOM 0 HD22 ASN A 28 10.363 -7.609 9.495 1.00 0.00 H new ATOM 475 N GLU A 29 8.349 -3.709 7.279 1.00 0.00 N ATOM 476 CA GLU A 29 8.083 -2.545 8.116 1.00 0.00 C ATOM 477 C GLU A 29 6.742 -1.909 7.762 1.00 0.00 C ATOM 478 O GLU A 29 6.027 -1.425 8.638 1.00 0.00 O ATOM 479 CB GLU A 29 9.204 -1.516 7.964 1.00 0.00 C ATOM 480 CG GLU A 29 10.581 -2.061 8.299 1.00 0.00 C ATOM 481 CD GLU A 29 11.430 -1.070 9.071 1.00 0.00 C ATOM 482 OE1 GLU A 29 11.195 0.149 8.929 1.00 0.00 O ATOM 483 OE2 GLU A 29 12.329 -1.511 9.817 1.00 0.00 O ATOM 0 H GLU A 29 8.891 -3.510 6.438 1.00 0.00 H new ATOM 0 HA GLU A 29 8.041 -2.879 9.153 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.209 -1.146 6.939 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.993 -0.664 8.610 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.473 -2.974 8.884 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.094 -2.332 7.376 1.00 0.00 H new ATOM 490 N VAL A 30 6.410 -1.909 6.476 1.00 0.00 N ATOM 491 CA VAL A 30 5.155 -1.325 6.016 1.00 0.00 C ATOM 492 C VAL A 30 4.010 -2.331 6.099 1.00 0.00 C ATOM 493 O VAL A 30 2.938 -2.018 6.617 1.00 0.00 O ATOM 494 CB VAL A 30 5.269 -0.793 4.571 1.00 0.00 C ATOM 495 CG1 VAL A 30 5.569 -1.923 3.597 1.00 0.00 C ATOM 496 CG2 VAL A 30 4.000 -0.055 4.169 1.00 0.00 C ATOM 0 H VAL A 30 6.989 -2.305 5.736 1.00 0.00 H new ATOM 0 HA VAL A 30 4.939 -0.487 6.679 1.00 0.00 H new ATOM 0 HB VAL A 30 6.100 -0.089 4.534 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.644 -1.522 2.586 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.511 -2.398 3.870 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.767 -2.660 3.636 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.101 0.312 3.148 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.150 -0.734 4.228 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.840 0.787 4.843 1.00 0.00 H new ATOM 506 N ILE A 31 4.240 -3.542 5.599 1.00 0.00 N ATOM 507 CA ILE A 31 3.218 -4.581 5.636 1.00 0.00 C ATOM 508 C ILE A 31 2.816 -4.870 7.079 1.00 0.00 C ATOM 509 O ILE A 31 1.639 -5.068 7.381 1.00 0.00 O ATOM 510 CB ILE A 31 3.708 -5.884 4.956 1.00 0.00 C ATOM 511 CG1 ILE A 31 3.380 -5.853 3.462 1.00 0.00 C ATOM 512 CG2 ILE A 31 3.088 -7.117 5.606 1.00 0.00 C ATOM 513 CD1 ILE A 31 4.097 -4.755 2.708 1.00 0.00 C ATOM 0 H ILE A 31 5.119 -3.826 5.166 1.00 0.00 H new ATOM 0 HA ILE A 31 2.352 -4.216 5.083 1.00 0.00 H new ATOM 0 HB ILE A 31 4.789 -5.945 5.085 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.641 -6.815 3.021 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.305 -5.726 3.337 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.452 -8.014 5.106 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.365 -7.151 6.660 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.003 -7.068 5.518 1.00 0.00 H new ATOM 0 HD11 ILE A 31 3.817 -4.794 1.655 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.818 -3.786 3.123 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.174 -4.893 2.802 1.00 0.00 H new ATOM 525 N LEU A 32 3.805 -4.888 7.964 1.00 0.00 N ATOM 526 CA LEU A 32 3.569 -5.146 9.378 1.00 0.00 C ATOM 527 C LEU A 32 2.487 -4.221 9.924 1.00 0.00 C ATOM 528 O LEU A 32 1.430 -4.677 10.358 1.00 0.00 O ATOM 529 CB LEU A 32 4.877 -4.980 10.164 1.00 0.00 C ATOM 530 CG LEU A 32 4.732 -4.537 11.626 1.00 0.00 C ATOM 531 CD1 LEU A 32 5.752 -5.248 12.504 1.00 0.00 C ATOM 532 CD2 LEU A 32 4.885 -3.026 11.742 1.00 0.00 C ATOM 0 H LEU A 32 4.783 -4.726 7.725 1.00 0.00 H new ATOM 0 HA LEU A 32 3.219 -6.172 9.494 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.412 -5.929 10.144 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.500 -4.252 9.645 1.00 0.00 H new ATOM 0 HG LEU A 32 3.735 -4.809 11.972 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.634 -4.921 13.537 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.596 -6.325 12.444 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.758 -5.008 12.160 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.779 -2.729 12.785 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.869 -2.731 11.378 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.116 -2.536 11.145 1.00 0.00 H new ATOM 544 N THR A 33 2.753 -2.921 9.901 1.00 0.00 N ATOM 545 CA THR A 33 1.797 -1.943 10.402 1.00 0.00 C ATOM 546 C THR A 33 0.419 -2.151 9.779 1.00 0.00 C ATOM 547 O THR A 33 -0.602 -2.052 10.460 1.00 0.00 O ATOM 548 CB THR A 33 2.290 -0.521 10.127 1.00 0.00 C ATOM 549 OG1 THR A 33 3.520 -0.281 10.785 1.00 0.00 O ATOM 550 CG2 THR A 33 1.315 0.549 10.569 1.00 0.00 C ATOM 0 H THR A 33 3.620 -2.521 9.542 1.00 0.00 H new ATOM 0 HA THR A 33 1.709 -2.084 11.479 1.00 0.00 H new ATOM 0 HB THR A 33 2.403 -0.460 9.045 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.820 0.633 10.596 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.728 1.533 10.344 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.371 0.422 10.039 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.143 0.464 11.642 1.00 0.00 H new ATOM 558 N LEU A 34 0.397 -2.441 8.483 1.00 0.00 N ATOM 559 CA LEU A 34 -0.856 -2.664 7.774 1.00 0.00 C ATOM 560 C LEU A 34 -1.629 -3.823 8.396 1.00 0.00 C ATOM 561 O LEU A 34 -2.859 -3.797 8.464 1.00 0.00 O ATOM 562 CB LEU A 34 -0.588 -2.948 6.295 1.00 0.00 C ATOM 563 CG LEU A 34 -0.053 -1.760 5.495 1.00 0.00 C ATOM 564 CD1 LEU A 34 0.202 -2.160 4.050 1.00 0.00 C ATOM 565 CD2 LEU A 34 -1.025 -0.591 5.564 1.00 0.00 C ATOM 0 H LEU A 34 1.232 -2.527 7.903 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.459 -1.760 7.857 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.127 -3.767 6.222 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.514 -3.290 5.833 1.00 0.00 H new ATOM 0 HG LEU A 34 0.894 -1.446 5.935 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.582 -1.301 3.497 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.936 -2.965 4.020 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.729 -2.500 3.597 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.629 0.246 4.989 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.987 -0.893 5.150 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.157 -0.288 6.603 1.00 0.00 H new ATOM 577 N ARG A 35 -0.900 -4.837 8.850 1.00 0.00 N ATOM 578 CA ARG A 35 -1.516 -6.006 9.468 1.00 0.00 C ATOM 579 C ARG A 35 -1.354 -5.979 10.987 1.00 0.00 C ATOM 580 O ARG A 35 -1.465 -7.014 11.646 1.00 0.00 O ATOM 581 CB ARG A 35 -0.906 -7.294 8.907 1.00 0.00 C ATOM 582 CG ARG A 35 -0.600 -7.231 7.418 1.00 0.00 C ATOM 583 CD ARG A 35 -0.776 -8.587 6.752 1.00 0.00 C ATOM 584 NE ARG A 35 -0.157 -9.665 7.523 1.00 0.00 N ATOM 585 CZ ARG A 35 -0.818 -10.460 8.364 1.00 0.00 C ATOM 586 NH1 ARG A 35 -2.120 -10.301 8.564 1.00 0.00 N ATOM 587 NH2 ARG A 35 -0.169 -11.418 9.013 1.00 0.00 N ATOM 0 H ARG A 35 0.118 -4.873 8.802 1.00 0.00 H new ATOM 0 HA ARG A 35 -2.580 -5.981 9.233 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.014 -7.515 9.448 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.592 -8.121 9.093 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.257 -6.503 6.942 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.422 -6.883 7.271 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.839 -8.794 6.629 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.339 -8.559 5.754 1.00 0.00 H new ATOM 0 HE ARG A 35 0.845 -9.818 7.410 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -2.625 -9.564 8.072 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -2.616 -10.915 9.210 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.833 -11.544 8.868 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -0.672 -12.028 9.657 1.00 0.00 H new ATOM 601 N LYS A 36 -1.089 -4.798 11.541 1.00 0.00 N ATOM 602 CA LYS A 36 -0.913 -4.658 12.984 1.00 0.00 C ATOM 603 C LYS A 36 -2.090 -3.931 13.622 1.00 0.00 C ATOM 604 O LYS A 36 -1.998 -3.469 14.760 1.00 0.00 O ATOM 605 CB LYS A 36 0.378 -3.901 13.296 1.00 0.00 C ATOM 606 CG LYS A 36 1.619 -4.780 13.369 1.00 0.00 C ATOM 607 CD LYS A 36 1.387 -6.027 14.210 1.00 0.00 C ATOM 608 CE LYS A 36 1.351 -7.272 13.341 1.00 0.00 C ATOM 609 NZ LYS A 36 1.829 -8.477 14.074 1.00 0.00 N ATOM 0 H LYS A 36 -0.992 -3.929 11.016 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.857 -5.663 13.403 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.532 -3.139 12.532 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.259 -3.381 14.246 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.916 -5.072 12.362 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.445 -4.207 13.791 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.179 -6.121 14.953 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.448 -5.933 14.755 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.333 -7.441 12.991 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.970 -7.116 12.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.788 -9.305 13.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.810 -8.327 14.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.223 -8.642 14.903 1.00 0.00 H new ATOM 623 N LYS A 37 -3.192 -3.827 12.892 1.00 0.00 N ATOM 624 CA LYS A 37 -4.380 -3.152 13.403 1.00 0.00 C ATOM 625 C LYS A 37 -4.064 -1.699 13.753 1.00 0.00 C ATOM 626 O LYS A 37 -4.770 -1.076 14.547 1.00 0.00 O ATOM 627 CB LYS A 37 -4.919 -3.878 14.640 1.00 0.00 C ATOM 628 CG LYS A 37 -4.650 -5.378 14.647 1.00 0.00 C ATOM 629 CD LYS A 37 -5.192 -6.034 15.906 1.00 0.00 C ATOM 630 CE LYS A 37 -4.090 -6.277 16.924 1.00 0.00 C ATOM 631 NZ LYS A 37 -4.632 -6.458 18.299 1.00 0.00 N ATOM 0 H LYS A 37 -3.289 -4.199 11.947 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.141 -3.169 12.623 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.473 -3.436 15.531 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.994 -3.712 14.706 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.109 -5.835 13.770 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.577 -5.557 14.575 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.962 -5.400 16.346 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.667 -6.981 15.649 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.522 -7.162 16.639 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.396 -5.436 16.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.848 -6.621 18.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.153 -5.604 18.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.274 -7.276 18.314 1.00 0.00 H new ATOM 645 N GLU A 38 -2.997 -1.166 13.163 1.00 0.00 N ATOM 646 CA GLU A 38 -2.588 0.210 13.415 1.00 0.00 C ATOM 647 C GLU A 38 -3.263 1.173 12.440 1.00 0.00 C ATOM 648 O GLU A 38 -2.960 1.168 11.246 1.00 0.00 O ATOM 649 CB GLU A 38 -1.068 0.338 13.300 1.00 0.00 C ATOM 650 CG GLU A 38 -0.462 1.327 14.282 1.00 0.00 C ATOM 651 CD GLU A 38 0.779 0.786 14.965 1.00 0.00 C ATOM 652 OE1 GLU A 38 0.635 0.063 15.974 1.00 0.00 O ATOM 653 OE2 GLU A 38 1.895 1.086 14.491 1.00 0.00 O ATOM 0 H GLU A 38 -2.400 -1.669 12.506 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.897 0.473 14.427 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.617 -0.641 13.459 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.814 0.645 12.285 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.210 2.248 13.756 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.205 1.585 15.037 1.00 0.00 H new ATOM 660 N PRO A 39 -4.190 2.015 12.931 1.00 0.00 N ATOM 661 CA PRO A 39 -4.900 2.981 12.088 1.00 0.00 C ATOM 662 C PRO A 39 -4.007 4.141 11.660 1.00 0.00 C ATOM 663 O PRO A 39 -3.559 4.931 12.490 1.00 0.00 O ATOM 664 CB PRO A 39 -6.026 3.478 12.993 1.00 0.00 C ATOM 665 CG PRO A 39 -5.498 3.315 14.376 1.00 0.00 C ATOM 666 CD PRO A 39 -4.617 2.095 14.342 1.00 0.00 C ATOM 0 HA PRO A 39 -5.249 2.533 11.158 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -6.273 4.519 12.783 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -6.937 2.899 12.846 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -4.934 4.195 14.685 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -6.310 3.190 15.092 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -3.765 2.197 15.014 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -5.159 1.200 14.648 1.00 0.00 H new ATOM 674 N LEU A 40 -3.754 4.237 10.359 1.00 0.00 N ATOM 675 CA LEU A 40 -2.915 5.301 9.820 1.00 0.00 C ATOM 676 C LEU A 40 -3.523 6.670 10.105 1.00 0.00 C ATOM 677 O LEU A 40 -4.737 6.851 10.025 1.00 0.00 O ATOM 678 CB LEU A 40 -2.727 5.117 8.313 1.00 0.00 C ATOM 679 CG LEU A 40 -2.026 3.820 7.903 1.00 0.00 C ATOM 680 CD1 LEU A 40 -2.674 3.230 6.658 1.00 0.00 C ATOM 681 CD2 LEU A 40 -0.543 4.070 7.666 1.00 0.00 C ATOM 0 H LEU A 40 -4.118 3.591 9.659 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.943 5.246 10.310 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.705 5.151 7.833 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.153 5.960 7.928 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.130 3.101 8.716 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.161 2.308 6.383 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.723 3.015 6.861 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.602 3.944 5.837 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.059 3.138 7.375 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.421 4.806 6.871 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.086 4.446 8.582 1.00 0.00 H new ATOM 693 N ASP A 41 -2.668 7.632 10.438 1.00 0.00 N ATOM 694 CA ASP A 41 -3.119 8.986 10.736 1.00 0.00 C ATOM 695 C ASP A 41 -3.521 9.720 9.458 1.00 0.00 C ATOM 696 O ASP A 41 -3.040 9.398 8.370 1.00 0.00 O ATOM 697 CB ASP A 41 -2.017 9.765 11.458 1.00 0.00 C ATOM 698 CG ASP A 41 -1.436 8.993 12.626 1.00 0.00 C ATOM 699 OD1 ASP A 41 -0.472 8.229 12.412 1.00 0.00 O ATOM 700 OD2 ASP A 41 -1.945 9.153 13.756 1.00 0.00 O ATOM 0 H ASP A 41 -1.659 7.499 10.508 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.992 8.917 11.385 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.222 10.004 10.752 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.420 10.712 11.816 1.00 0.00 H new ATOM 705 N PRO A 42 -4.412 10.720 9.571 1.00 0.00 N ATOM 706 CA PRO A 42 -4.876 11.500 8.418 1.00 0.00 C ATOM 707 C PRO A 42 -3.763 12.341 7.795 1.00 0.00 C ATOM 708 O PRO A 42 -3.918 12.870 6.695 1.00 0.00 O ATOM 709 CB PRO A 42 -5.963 12.403 9.005 1.00 0.00 C ATOM 710 CG PRO A 42 -5.642 12.494 10.458 1.00 0.00 C ATOM 711 CD PRO A 42 -5.035 11.171 10.828 1.00 0.00 C ATOM 0 HA PRO A 42 -5.230 10.856 7.613 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -5.955 13.387 8.536 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -6.956 11.982 8.845 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -4.948 13.311 10.654 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -6.539 12.690 11.045 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.300 11.275 11.626 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.789 10.466 11.179 1.00 0.00 H new ATOM 719 N GLN A 43 -2.643 12.459 8.502 1.00 0.00 N ATOM 720 CA GLN A 43 -1.509 13.234 8.011 1.00 0.00 C ATOM 721 C GLN A 43 -0.590 12.384 7.135 1.00 0.00 C ATOM 722 O GLN A 43 0.501 12.819 6.765 1.00 0.00 O ATOM 723 CB GLN A 43 -0.719 13.816 9.184 1.00 0.00 C ATOM 724 CG GLN A 43 -1.505 14.824 10.008 1.00 0.00 C ATOM 725 CD GLN A 43 -1.497 16.210 9.393 1.00 0.00 C ATOM 726 OE1 GLN A 43 -2.550 16.797 9.145 1.00 0.00 O ATOM 727 NE2 GLN A 43 -0.305 16.740 9.145 1.00 0.00 N ATOM 0 H GLN A 43 -2.497 12.029 9.415 1.00 0.00 H new ATOM 0 HA GLN A 43 -1.901 14.048 7.401 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -0.396 13.002 9.833 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.182 14.296 8.802 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -2.535 14.481 10.110 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -1.085 14.873 11.013 1.00 0.00 H new ATOM 0 HE21 GLN A 43 0.542 16.217 9.367 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -0.236 17.670 8.732 1.00 0.00 H new ATOM 736 N PHE A 44 -1.032 11.171 6.804 1.00 0.00 N ATOM 737 CA PHE A 44 -0.241 10.273 5.970 1.00 0.00 C ATOM 738 C PHE A 44 -0.564 10.466 4.488 1.00 0.00 C ATOM 739 O PHE A 44 -0.136 9.677 3.646 1.00 0.00 O ATOM 740 CB PHE A 44 -0.494 8.818 6.371 1.00 0.00 C ATOM 741 CG PHE A 44 0.285 8.383 7.580 1.00 0.00 C ATOM 742 CD1 PHE A 44 0.356 9.191 8.704 1.00 0.00 C ATOM 743 CD2 PHE A 44 0.946 7.165 7.593 1.00 0.00 C ATOM 744 CE1 PHE A 44 1.070 8.793 9.818 1.00 0.00 C ATOM 745 CE2 PHE A 44 1.664 6.763 8.703 1.00 0.00 C ATOM 746 CZ PHE A 44 1.726 7.576 9.818 1.00 0.00 C ATOM 0 H PHE A 44 -1.931 10.791 7.101 1.00 0.00 H new ATOM 0 HA PHE A 44 0.811 10.512 6.125 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -1.558 8.684 6.567 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.240 8.169 5.533 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -0.153 10.143 8.709 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.899 6.523 6.726 1.00 0.00 H new ATOM 0 HE1 PHE A 44 1.116 9.432 10.688 1.00 0.00 H new ATOM 0 HE2 PHE A 44 2.177 5.813 8.699 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.285 7.262 10.687 1.00 0.00 H new ATOM 756 N GLN A 45 -1.319 11.518 4.175 1.00 0.00 N ATOM 757 CA GLN A 45 -1.694 11.805 2.794 1.00 0.00 C ATOM 758 C GLN A 45 -2.574 10.697 2.226 1.00 0.00 C ATOM 759 O GLN A 45 -2.409 10.284 1.077 1.00 0.00 O ATOM 760 CB GLN A 45 -0.442 11.976 1.928 1.00 0.00 C ATOM 761 CG GLN A 45 0.575 12.943 2.512 1.00 0.00 C ATOM 762 CD GLN A 45 0.228 14.392 2.231 1.00 0.00 C ATOM 763 OE1 GLN A 45 0.305 14.851 1.092 1.00 0.00 O ATOM 764 NE2 GLN A 45 -0.155 15.122 3.272 1.00 0.00 N ATOM 0 H GLN A 45 -1.682 12.183 4.858 1.00 0.00 H new ATOM 0 HA GLN A 45 -2.263 12.735 2.784 1.00 0.00 H new ATOM 0 HB2 GLN A 45 0.031 11.003 1.792 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.739 12.327 0.940 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.639 12.791 3.589 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.560 12.722 2.100 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.205 14.701 4.200 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -0.399 16.104 3.144 1.00 0.00 H new ATOM 773 N ASP A 46 -3.510 10.219 3.038 1.00 0.00 N ATOM 774 CA ASP A 46 -4.419 9.160 2.617 1.00 0.00 C ATOM 775 C ASP A 46 -5.651 9.741 1.932 1.00 0.00 C ATOM 776 O ASP A 46 -6.716 9.856 2.540 1.00 0.00 O ATOM 777 CB ASP A 46 -4.840 8.313 3.819 1.00 0.00 C ATOM 778 CG ASP A 46 -5.513 9.138 4.899 1.00 0.00 C ATOM 779 OD1 ASP A 46 -4.792 9.757 5.709 1.00 0.00 O ATOM 780 OD2 ASP A 46 -6.761 9.162 4.935 1.00 0.00 O ATOM 0 H ASP A 46 -3.659 10.548 3.992 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.893 8.527 1.902 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.521 7.529 3.487 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.963 7.818 4.237 1.00 0.00 H new ATOM 785 N HIS A 47 -5.501 10.103 0.661 1.00 0.00 N ATOM 786 CA HIS A 47 -6.604 10.671 -0.106 1.00 0.00 C ATOM 787 C HIS A 47 -6.614 10.123 -1.529 1.00 0.00 C ATOM 788 O HIS A 47 -5.770 9.307 -1.897 1.00 0.00 O ATOM 789 CB HIS A 47 -6.497 12.197 -0.137 1.00 0.00 C ATOM 790 CG HIS A 47 -6.759 12.842 1.190 1.00 0.00 C ATOM 791 ND1 HIS A 47 -8.016 12.927 1.750 1.00 0.00 N ATOM 792 CD2 HIS A 47 -5.916 13.433 2.068 1.00 0.00 C ATOM 793 CE1 HIS A 47 -7.936 13.545 2.915 1.00 0.00 C ATOM 794 NE2 HIS A 47 -6.672 13.862 3.132 1.00 0.00 N ATOM 0 H HIS A 47 -4.628 10.013 0.142 1.00 0.00 H new ATOM 0 HA HIS A 47 -7.537 10.388 0.381 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -5.500 12.476 -0.477 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -7.205 12.588 -0.868 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -4.848 13.546 1.954 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -8.763 13.755 3.577 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -6.315 14.347 3.956 1.00 0.00 H new ATOM 803 N ALA A 48 -7.578 10.576 -2.324 1.00 0.00 N ATOM 804 CA ALA A 48 -7.699 10.133 -3.708 1.00 0.00 C ATOM 805 C ALA A 48 -6.737 10.891 -4.615 1.00 0.00 C ATOM 806 O ALA A 48 -6.762 12.120 -4.673 1.00 0.00 O ATOM 807 CB ALA A 48 -9.131 10.302 -4.193 1.00 0.00 C ATOM 0 H ALA A 48 -8.287 11.250 -2.033 1.00 0.00 H new ATOM 0 HA ALA A 48 -7.436 9.076 -3.749 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -9.207 9.967 -5.228 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.799 9.707 -3.570 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.415 11.352 -4.130 1.00 0.00 H new ATOM 813 N LEU A 49 -5.891 10.149 -5.323 1.00 0.00 N ATOM 814 CA LEU A 49 -4.919 10.752 -6.228 1.00 0.00 C ATOM 815 C LEU A 49 -5.607 11.309 -7.471 1.00 0.00 C ATOM 816 O LEU A 49 -6.832 11.259 -7.589 1.00 0.00 O ATOM 817 CB LEU A 49 -3.862 9.723 -6.634 1.00 0.00 C ATOM 818 CG LEU A 49 -2.644 9.650 -5.711 1.00 0.00 C ATOM 819 CD1 LEU A 49 -1.886 8.349 -5.930 1.00 0.00 C ATOM 820 CD2 LEU A 49 -1.730 10.845 -5.941 1.00 0.00 C ATOM 0 H LEU A 49 -5.859 9.130 -5.287 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.432 11.575 -5.704 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.330 8.739 -6.672 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.521 9.953 -7.643 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.992 9.675 -4.678 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.023 8.314 -5.265 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.542 7.505 -5.717 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.549 8.294 -6.965 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.869 10.777 -5.276 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.390 10.849 -6.977 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.276 11.766 -5.735 1.00 0.00 H new ATOM 832 N LYS A 50 -4.812 11.839 -8.394 1.00 0.00 N ATOM 833 CA LYS A 50 -5.345 12.407 -9.627 1.00 0.00 C ATOM 834 C LYS A 50 -4.688 11.767 -10.847 1.00 0.00 C ATOM 835 O LYS A 50 -3.720 11.017 -10.722 1.00 0.00 O ATOM 836 CB LYS A 50 -5.131 13.921 -9.652 1.00 0.00 C ATOM 837 CG LYS A 50 -6.014 14.676 -8.671 1.00 0.00 C ATOM 838 CD LYS A 50 -6.709 15.853 -9.336 1.00 0.00 C ATOM 839 CE LYS A 50 -7.178 16.873 -8.311 1.00 0.00 C ATOM 840 NZ LYS A 50 -8.517 17.430 -8.654 1.00 0.00 N ATOM 0 H LYS A 50 -3.796 11.887 -8.312 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.415 12.200 -9.661 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.086 14.136 -9.427 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.323 14.290 -10.659 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.761 13.999 -8.257 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.410 15.033 -7.837 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.027 16.330 -10.040 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.562 15.495 -9.912 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.220 16.406 -7.327 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.453 17.684 -8.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.801 18.121 -7.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.471 17.898 -9.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -9.215 16.660 -8.689 1.00 0.00 H new ATOM 854 N GLY A 51 -5.220 12.071 -12.027 1.00 0.00 N ATOM 855 CA GLY A 51 -4.673 11.518 -13.252 1.00 0.00 C ATOM 856 C GLY A 51 -5.062 10.066 -13.457 1.00 0.00 C ATOM 857 O GLY A 51 -6.234 9.708 -13.338 1.00 0.00 O ATOM 0 H GLY A 51 -6.020 12.690 -12.156 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.021 12.107 -14.100 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.586 11.600 -13.231 1.00 0.00 H new ATOM 861 N LYS A 52 -4.077 9.231 -13.766 1.00 0.00 N ATOM 862 CA LYS A 52 -4.321 7.810 -13.989 1.00 0.00 C ATOM 863 C LYS A 52 -4.830 7.140 -12.717 1.00 0.00 C ATOM 864 O LYS A 52 -5.605 6.185 -12.776 1.00 0.00 O ATOM 865 CB LYS A 52 -3.040 7.121 -14.466 1.00 0.00 C ATOM 866 CG LYS A 52 -2.515 7.660 -15.787 1.00 0.00 C ATOM 867 CD LYS A 52 -2.027 6.539 -16.691 1.00 0.00 C ATOM 868 CE LYS A 52 -1.096 7.060 -17.773 1.00 0.00 C ATOM 869 NZ LYS A 52 -0.967 6.102 -18.905 1.00 0.00 N ATOM 0 H LYS A 52 -3.102 9.513 -13.868 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.086 7.713 -14.760 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.269 7.237 -13.704 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.229 6.052 -14.568 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.303 8.219 -16.292 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.699 8.358 -15.598 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.509 5.789 -16.094 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.882 6.044 -17.152 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.471 8.013 -18.146 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.112 7.250 -17.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.324 6.495 -19.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.585 5.200 -18.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.902 5.940 -19.331 1.00 0.00 H new ATOM 883 N TRP A 53 -4.388 7.645 -11.571 1.00 0.00 N ATOM 884 CA TRP A 53 -4.799 7.094 -10.284 1.00 0.00 C ATOM 885 C TRP A 53 -5.943 7.903 -9.685 1.00 0.00 C ATOM 886 O TRP A 53 -5.988 8.131 -8.475 1.00 0.00 O ATOM 887 CB TRP A 53 -3.613 7.068 -9.317 1.00 0.00 C ATOM 888 CG TRP A 53 -2.591 6.027 -9.656 1.00 0.00 C ATOM 889 CD1 TRP A 53 -1.377 6.233 -10.242 1.00 0.00 C ATOM 890 CD2 TRP A 53 -2.696 4.617 -9.430 1.00 0.00 C ATOM 891 NE1 TRP A 53 -0.718 5.036 -10.395 1.00 0.00 N ATOM 892 CE2 TRP A 53 -1.507 4.030 -9.904 1.00 0.00 C ATOM 893 CE3 TRP A 53 -3.677 3.794 -8.873 1.00 0.00 C ATOM 894 CZ2 TRP A 53 -1.276 2.659 -9.837 1.00 0.00 C ATOM 895 CZ3 TRP A 53 -3.446 2.432 -8.807 1.00 0.00 C ATOM 896 CH2 TRP A 53 -2.254 1.877 -9.286 1.00 0.00 C ATOM 0 H TRP A 53 -3.745 8.435 -11.506 1.00 0.00 H new ATOM 0 HA TRP A 53 -5.149 6.075 -10.447 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -3.135 8.048 -9.313 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -3.981 6.889 -8.307 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.990 7.196 -10.542 1.00 0.00 H new ATOM 0 HE1 TRP A 53 0.207 4.917 -10.807 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -4.600 4.214 -8.500 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -0.357 2.228 -10.207 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -4.198 1.786 -8.379 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -2.103 0.810 -9.219 1.00 0.00 H new ATOM 907 N LYS A 54 -6.867 8.336 -10.537 1.00 0.00 N ATOM 908 CA LYS A 54 -8.011 9.119 -10.088 1.00 0.00 C ATOM 909 C LYS A 54 -9.018 8.244 -9.344 1.00 0.00 C ATOM 910 O LYS A 54 -9.447 8.583 -8.242 1.00 0.00 O ATOM 911 CB LYS A 54 -8.687 9.807 -11.278 1.00 0.00 C ATOM 912 CG LYS A 54 -8.429 11.305 -11.340 1.00 0.00 C ATOM 913 CD LYS A 54 -8.922 11.900 -12.650 1.00 0.00 C ATOM 914 CE LYS A 54 -8.803 13.414 -12.654 1.00 0.00 C ATOM 915 NZ LYS A 54 -9.745 14.043 -13.620 1.00 0.00 N ATOM 0 H LYS A 54 -6.845 8.158 -11.541 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.647 9.881 -9.399 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.335 9.347 -12.201 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.762 9.633 -11.225 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -8.928 11.796 -10.505 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.362 11.497 -11.231 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.346 11.487 -13.478 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.962 11.615 -12.812 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.001 13.796 -11.653 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -7.781 13.697 -12.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.632 15.076 -13.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.540 13.698 -14.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.722 13.794 -13.364 1.00 0.00 H new ATOM 929 N PRO A 55 -9.414 7.104 -9.937 1.00 0.00 N ATOM 930 CA PRO A 55 -10.373 6.183 -9.327 1.00 0.00 C ATOM 931 C PRO A 55 -9.730 5.285 -8.273 1.00 0.00 C ATOM 932 O PRO A 55 -9.975 4.077 -8.241 1.00 0.00 O ATOM 933 CB PRO A 55 -10.876 5.338 -10.513 1.00 0.00 C ATOM 934 CG PRO A 55 -10.181 5.869 -11.731 1.00 0.00 C ATOM 935 CD PRO A 55 -8.972 6.613 -11.243 1.00 0.00 C ATOM 0 HA PRO A 55 -11.165 6.718 -8.803 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -10.647 4.283 -10.364 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.958 5.418 -10.617 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.893 5.057 -12.398 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -10.840 6.528 -12.297 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.101 5.963 -11.160 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -8.698 7.428 -11.913 1.00 0.00 H new ATOM 943 N PHE A 56 -8.906 5.874 -7.411 1.00 0.00 N ATOM 944 CA PHE A 56 -8.234 5.118 -6.361 1.00 0.00 C ATOM 945 C PHE A 56 -7.834 6.029 -5.203 1.00 0.00 C ATOM 946 O PHE A 56 -8.057 7.239 -5.246 1.00 0.00 O ATOM 947 CB PHE A 56 -6.997 4.419 -6.923 1.00 0.00 C ATOM 948 CG PHE A 56 -7.301 3.488 -8.063 1.00 0.00 C ATOM 949 CD1 PHE A 56 -7.881 2.251 -7.828 1.00 0.00 C ATOM 950 CD2 PHE A 56 -7.008 3.850 -9.368 1.00 0.00 C ATOM 951 CE1 PHE A 56 -8.162 1.394 -8.876 1.00 0.00 C ATOM 952 CE2 PHE A 56 -7.287 2.997 -10.418 1.00 0.00 C ATOM 953 CZ PHE A 56 -7.865 1.767 -10.172 1.00 0.00 C ATOM 0 H PHE A 56 -8.688 6.870 -7.419 1.00 0.00 H new ATOM 0 HA PHE A 56 -8.930 4.368 -5.985 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.285 5.173 -7.260 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.513 3.857 -6.124 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -8.116 1.954 -6.817 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -6.556 4.811 -9.567 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -8.614 0.433 -8.681 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.053 3.292 -11.430 1.00 0.00 H new ATOM 0 HZ PHE A 56 -8.084 1.098 -10.991 1.00 0.00 H new ATOM 963 N ARG A 57 -7.243 5.437 -4.170 1.00 0.00 N ATOM 964 CA ARG A 57 -6.811 6.195 -3.000 1.00 0.00 C ATOM 965 C ARG A 57 -5.388 5.816 -2.603 1.00 0.00 C ATOM 966 O ARG A 57 -5.057 4.635 -2.496 1.00 0.00 O ATOM 967 CB ARG A 57 -7.763 5.949 -1.829 1.00 0.00 C ATOM 968 CG ARG A 57 -7.434 6.776 -0.595 1.00 0.00 C ATOM 969 CD ARG A 57 -8.638 7.572 -0.117 1.00 0.00 C ATOM 970 NE ARG A 57 -9.329 6.909 0.987 1.00 0.00 N ATOM 971 CZ ARG A 57 -10.171 7.526 1.811 1.00 0.00 C ATOM 972 NH1 ARG A 57 -10.430 8.819 1.661 1.00 0.00 N ATOM 973 NH2 ARG A 57 -10.756 6.849 2.789 1.00 0.00 N ATOM 0 H ARG A 57 -7.052 4.436 -4.119 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.827 7.254 -3.256 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.782 6.173 -2.146 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.737 4.892 -1.566 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.092 6.118 0.204 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.613 7.457 -0.821 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.314 8.563 0.201 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.331 7.714 -0.946 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.155 5.915 1.134 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.982 9.345 0.911 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.077 9.287 2.296 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.560 5.855 2.909 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.402 7.322 3.421 1.00 0.00 H new ATOM 987 N GLU A 58 -4.552 6.824 -2.387 1.00 0.00 N ATOM 988 CA GLU A 58 -3.163 6.597 -2.003 1.00 0.00 C ATOM 989 C GLU A 58 -2.996 6.677 -0.489 1.00 0.00 C ATOM 990 O GLU A 58 -3.920 7.060 0.228 1.00 0.00 O ATOM 991 CB GLU A 58 -2.250 7.619 -2.684 1.00 0.00 C ATOM 992 CG GLU A 58 -0.955 7.024 -3.211 1.00 0.00 C ATOM 993 CD GLU A 58 0.169 8.039 -3.278 1.00 0.00 C ATOM 994 OE1 GLU A 58 -0.117 9.222 -3.559 1.00 0.00 O ATOM 995 OE2 GLU A 58 1.334 7.651 -3.048 1.00 0.00 O ATOM 0 H GLU A 58 -4.811 7.807 -2.471 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.882 5.595 -2.328 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.790 8.082 -3.510 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.013 8.412 -1.974 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.653 6.195 -2.570 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.127 6.612 -4.205 1.00 0.00 H new ATOM 1002 N CYS A 59 -1.811 6.311 -0.010 1.00 0.00 N ATOM 1003 CA CYS A 59 -1.523 6.341 1.420 1.00 0.00 C ATOM 1004 C CYS A 59 -0.041 6.089 1.680 1.00 0.00 C ATOM 1005 O CYS A 59 0.488 5.032 1.339 1.00 0.00 O ATOM 1006 CB CYS A 59 -2.366 5.296 2.154 1.00 0.00 C ATOM 1007 SG CYS A 59 -2.422 5.520 3.947 1.00 0.00 S ATOM 0 H CYS A 59 -1.036 5.991 -0.590 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.777 7.332 1.796 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.383 5.325 1.763 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.969 4.305 1.935 1.00 0.00 H new ATOM 0 HG CYS A 59 -3.625 5.280 4.377 1.00 0.00 H new ATOM 1013 N HIS A 60 0.623 7.067 2.286 1.00 0.00 N ATOM 1014 CA HIS A 60 2.043 6.953 2.590 1.00 0.00 C ATOM 1015 C HIS A 60 2.257 6.416 4.003 1.00 0.00 C ATOM 1016 O HIS A 60 2.165 7.159 4.981 1.00 0.00 O ATOM 1017 CB HIS A 60 2.729 8.313 2.442 1.00 0.00 C ATOM 1018 CG HIS A 60 2.442 8.988 1.137 1.00 0.00 C ATOM 1019 ND1 HIS A 60 3.422 9.567 0.358 1.00 0.00 N ATOM 1020 CD2 HIS A 60 1.276 9.175 0.473 1.00 0.00 C ATOM 1021 CE1 HIS A 60 2.871 10.082 -0.728 1.00 0.00 C ATOM 1022 NE2 HIS A 60 1.572 9.858 -0.682 1.00 0.00 N ATOM 0 H HIS A 60 0.199 7.948 2.576 1.00 0.00 H new ATOM 0 HA HIS A 60 2.484 6.251 1.882 1.00 0.00 H new ATOM 0 HB2 HIS A 60 2.409 8.963 3.256 1.00 0.00 H new ATOM 0 HB3 HIS A 60 3.806 8.181 2.544 1.00 0.00 H new ATOM 0 HD2 HIS A 60 0.297 8.848 0.792 1.00 0.00 H new ATOM 0 HE1 HIS A 60 3.395 10.598 -1.518 1.00 0.00 H new ATOM 0 HE2 HIS A 60 0.896 10.145 -1.390 1.00 0.00 H new ATOM 1031 N ILE A 61 2.545 5.123 4.102 1.00 0.00 N ATOM 1032 CA ILE A 61 2.775 4.490 5.395 1.00 0.00 C ATOM 1033 C ILE A 61 4.094 4.956 6.002 1.00 0.00 C ATOM 1034 O ILE A 61 4.134 5.430 7.137 1.00 0.00 O ATOM 1035 CB ILE A 61 2.792 2.951 5.271 1.00 0.00 C ATOM 1036 CG1 ILE A 61 1.511 2.459 4.596 1.00 0.00 C ATOM 1037 CG2 ILE A 61 2.952 2.309 6.643 1.00 0.00 C ATOM 1038 CD1 ILE A 61 1.634 2.313 3.094 1.00 0.00 C ATOM 0 H ILE A 61 2.625 4.494 3.303 1.00 0.00 H new ATOM 0 HA ILE A 61 1.952 4.784 6.047 1.00 0.00 H new ATOM 0 HB ILE A 61 3.642 2.661 4.654 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.231 1.496 5.024 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.702 3.155 4.820 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.962 1.224 6.538 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.889 2.639 7.092 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.120 2.604 7.282 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.688 1.960 2.684 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.883 3.279 2.654 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.420 1.595 2.861 1.00 0.00 H new ATOM 1050 N LYS A 62 5.170 4.821 5.234 1.00 0.00 N ATOM 1051 CA LYS A 62 6.493 5.231 5.688 1.00 0.00 C ATOM 1052 C LYS A 62 6.990 6.426 4.877 1.00 0.00 C ATOM 1053 O LYS A 62 6.363 6.821 3.896 1.00 0.00 O ATOM 1054 CB LYS A 62 7.478 4.065 5.564 1.00 0.00 C ATOM 1055 CG LYS A 62 6.913 2.736 6.038 1.00 0.00 C ATOM 1056 CD LYS A 62 8.008 1.694 6.207 1.00 0.00 C ATOM 1057 CE LYS A 62 8.949 2.049 7.348 1.00 0.00 C ATOM 1058 NZ LYS A 62 10.346 2.255 6.874 1.00 0.00 N ATOM 0 H LYS A 62 5.151 4.430 4.292 1.00 0.00 H new ATOM 0 HA LYS A 62 6.424 5.526 6.735 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.784 3.969 4.522 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.374 4.295 6.140 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.394 2.877 6.986 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.175 2.377 5.321 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.557 0.720 6.396 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.575 1.608 5.280 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.596 2.955 7.841 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.932 1.253 8.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.979 1.586 7.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.392 2.095 5.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.644 3.228 7.086 1.00 0.00 H new ATOM 1072 N PRO A 63 8.127 7.023 5.280 1.00 0.00 N ATOM 1073 CA PRO A 63 8.700 8.181 4.583 1.00 0.00 C ATOM 1074 C PRO A 63 9.182 7.848 3.173 1.00 0.00 C ATOM 1075 O PRO A 63 9.609 8.729 2.429 1.00 0.00 O ATOM 1076 CB PRO A 63 9.884 8.600 5.468 1.00 0.00 C ATOM 1077 CG PRO A 63 9.679 7.894 6.766 1.00 0.00 C ATOM 1078 CD PRO A 63 8.939 6.631 6.439 1.00 0.00 C ATOM 0 HA PRO A 63 7.956 8.966 4.447 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.833 8.318 5.013 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.906 9.681 5.608 1.00 0.00 H new ATOM 0 HG2 PRO A 63 10.633 7.674 7.245 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.109 8.512 7.460 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.619 5.814 6.199 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.321 6.297 7.272 1.00 0.00 H new ATOM 1086 N ASP A 64 9.109 6.574 2.815 1.00 0.00 N ATOM 1087 CA ASP A 64 9.534 6.124 1.495 1.00 0.00 C ATOM 1088 C ASP A 64 8.632 5.007 0.981 1.00 0.00 C ATOM 1089 O ASP A 64 9.061 4.159 0.199 1.00 0.00 O ATOM 1090 CB ASP A 64 10.986 5.641 1.541 1.00 0.00 C ATOM 1091 CG ASP A 64 11.675 5.750 0.195 1.00 0.00 C ATOM 1092 OD1 ASP A 64 11.100 5.276 -0.806 1.00 0.00 O ATOM 1093 OD2 ASP A 64 12.791 6.310 0.142 1.00 0.00 O ATOM 0 H ASP A 64 8.759 5.832 3.421 1.00 0.00 H new ATOM 0 HA ASP A 64 9.459 6.969 0.811 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.537 6.226 2.277 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.011 4.604 1.876 1.00 0.00 H new ATOM 1098 N VAL A 65 7.376 5.013 1.423 1.00 0.00 N ATOM 1099 CA VAL A 65 6.415 4.000 1.005 1.00 0.00 C ATOM 1100 C VAL A 65 5.038 4.607 0.767 1.00 0.00 C ATOM 1101 O VAL A 65 4.615 5.516 1.482 1.00 0.00 O ATOM 1102 CB VAL A 65 6.291 2.871 2.045 1.00 0.00 C ATOM 1103 CG1 VAL A 65 5.317 1.803 1.570 1.00 0.00 C ATOM 1104 CG2 VAL A 65 7.653 2.264 2.335 1.00 0.00 C ATOM 0 H VAL A 65 7.002 5.708 2.070 1.00 0.00 H new ATOM 0 HA VAL A 65 6.792 3.583 0.071 1.00 0.00 H new ATOM 0 HB VAL A 65 5.900 3.298 2.969 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.246 1.016 2.321 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.334 2.249 1.417 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.672 1.378 0.631 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.547 1.468 3.072 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.072 1.854 1.416 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.319 3.034 2.726 1.00 0.00 H new ATOM 1114 N LEU A 66 4.344 4.093 -0.239 1.00 0.00 N ATOM 1115 CA LEU A 66 3.009 4.573 -0.578 1.00 0.00 C ATOM 1116 C LEU A 66 2.247 3.528 -1.386 1.00 0.00 C ATOM 1117 O LEU A 66 2.586 3.253 -2.537 1.00 0.00 O ATOM 1118 CB LEU A 66 3.089 5.888 -1.363 1.00 0.00 C ATOM 1119 CG LEU A 66 4.447 6.190 -2.007 1.00 0.00 C ATOM 1120 CD1 LEU A 66 4.262 6.828 -3.376 1.00 0.00 C ATOM 1121 CD2 LEU A 66 5.276 7.092 -1.103 1.00 0.00 C ATOM 0 H LEU A 66 4.684 3.340 -0.838 1.00 0.00 H new ATOM 0 HA LEU A 66 2.471 4.753 0.353 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.331 5.870 -2.146 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.834 6.708 -0.691 1.00 0.00 H new ATOM 0 HG LEU A 66 4.982 5.249 -2.139 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.238 7.034 -3.816 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.709 6.147 -4.023 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.707 7.760 -3.271 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.237 7.296 -1.575 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.745 8.030 -0.939 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.440 6.596 -0.146 1.00 0.00 H new ATOM 1133 N LEU A 67 1.219 2.949 -0.776 1.00 0.00 N ATOM 1134 CA LEU A 67 0.412 1.932 -1.441 1.00 0.00 C ATOM 1135 C LEU A 67 -1.009 2.437 -1.682 1.00 0.00 C ATOM 1136 O LEU A 67 -1.631 3.017 -0.793 1.00 0.00 O ATOM 1137 CB LEU A 67 0.399 0.638 -0.610 1.00 0.00 C ATOM 1138 CG LEU A 67 -0.958 0.213 -0.041 1.00 0.00 C ATOM 1139 CD1 LEU A 67 -1.829 -0.393 -1.132 1.00 0.00 C ATOM 1140 CD2 LEU A 67 -0.771 -0.770 1.105 1.00 0.00 C ATOM 0 H LEU A 67 0.925 3.166 0.176 1.00 0.00 H new ATOM 0 HA LEU A 67 0.858 1.716 -2.412 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.779 -0.172 -1.232 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.096 0.756 0.219 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.462 1.099 0.346 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.789 -0.689 -0.709 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.991 0.343 -1.919 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.332 -1.268 -1.550 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.745 -1.061 1.497 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.246 -1.654 0.744 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.187 -0.300 1.896 1.00 0.00 H new ATOM 1152 N VAL A 68 -1.514 2.209 -2.889 1.00 0.00 N ATOM 1153 CA VAL A 68 -2.860 2.637 -3.247 1.00 0.00 C ATOM 1154 C VAL A 68 -3.873 1.533 -2.972 1.00 0.00 C ATOM 1155 O VAL A 68 -3.568 0.349 -3.115 1.00 0.00 O ATOM 1156 CB VAL A 68 -2.945 3.041 -4.731 1.00 0.00 C ATOM 1157 CG1 VAL A 68 -4.296 3.667 -5.041 1.00 0.00 C ATOM 1158 CG2 VAL A 68 -1.814 3.992 -5.091 1.00 0.00 C ATOM 0 H VAL A 68 -1.011 1.730 -3.636 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.094 3.505 -2.630 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.841 2.142 -5.338 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.335 3.945 -6.094 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.088 2.949 -4.826 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.435 4.556 -4.426 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.890 4.266 -6.143 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.883 4.889 -4.476 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.856 3.503 -4.912 1.00 0.00 H new ATOM 1168 N TYR A 69 -5.079 1.926 -2.575 1.00 0.00 N ATOM 1169 CA TYR A 69 -6.136 0.965 -2.279 1.00 0.00 C ATOM 1170 C TYR A 69 -7.513 1.606 -2.422 1.00 0.00 C ATOM 1171 O TYR A 69 -7.647 2.829 -2.387 1.00 0.00 O ATOM 1172 CB TYR A 69 -5.965 0.407 -0.866 1.00 0.00 C ATOM 1173 CG TYR A 69 -6.074 1.455 0.219 1.00 0.00 C ATOM 1174 CD1 TYR A 69 -7.311 1.812 0.744 1.00 0.00 C ATOM 1175 CD2 TYR A 69 -4.944 2.089 0.717 1.00 0.00 C ATOM 1176 CE1 TYR A 69 -7.416 2.769 1.735 1.00 0.00 C ATOM 1177 CE2 TYR A 69 -5.040 3.047 1.708 1.00 0.00 C ATOM 1178 CZ TYR A 69 -6.278 3.383 2.213 1.00 0.00 C ATOM 1179 OH TYR A 69 -6.378 4.337 3.200 1.00 0.00 O ATOM 0 H TYR A 69 -5.349 2.902 -2.451 1.00 0.00 H new ATOM 0 HA TYR A 69 -6.060 0.148 -2.997 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -6.719 -0.361 -0.694 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -4.992 -0.080 -0.792 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -8.204 1.333 0.371 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -3.973 1.829 0.323 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.384 3.035 2.133 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -4.150 3.530 2.085 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.484 4.670 3.425 1.00 0.00 H new ATOM 1189 N LEU A 70 -8.533 0.770 -2.583 1.00 0.00 N ATOM 1190 CA LEU A 70 -9.900 1.253 -2.730 1.00 0.00 C ATOM 1191 C LEU A 70 -10.725 0.931 -1.489 1.00 0.00 C ATOM 1192 O LEU A 70 -10.358 0.063 -0.695 1.00 0.00 O ATOM 1193 CB LEU A 70 -10.554 0.630 -3.967 1.00 0.00 C ATOM 1194 CG LEU A 70 -11.429 1.580 -4.784 1.00 0.00 C ATOM 1195 CD1 LEU A 70 -10.570 2.545 -5.584 1.00 0.00 C ATOM 1196 CD2 LEU A 70 -12.349 0.794 -5.707 1.00 0.00 C ATOM 0 H LEU A 70 -8.438 -0.245 -2.615 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.866 2.336 -2.852 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.770 0.236 -4.614 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -11.162 -0.217 -3.650 1.00 0.00 H new ATOM 0 HG LEU A 70 -12.043 2.159 -4.095 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.212 3.213 -6.159 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.952 3.132 -4.904 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -9.929 1.984 -6.264 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.965 1.486 -6.282 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -11.751 0.189 -6.388 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.991 0.144 -5.113 1.00 0.00 H new ATOM 1208 N VAL A 71 -11.842 1.633 -1.326 1.00 0.00 N ATOM 1209 CA VAL A 71 -12.718 1.419 -0.180 1.00 0.00 C ATOM 1210 C VAL A 71 -14.119 1.017 -0.628 1.00 0.00 C ATOM 1211 O VAL A 71 -14.920 1.861 -1.027 1.00 0.00 O ATOM 1212 CB VAL A 71 -12.815 2.681 0.698 1.00 0.00 C ATOM 1213 CG1 VAL A 71 -13.575 2.382 1.980 1.00 0.00 C ATOM 1214 CG2 VAL A 71 -11.427 3.226 1.004 1.00 0.00 C ATOM 0 H VAL A 71 -12.162 2.354 -1.973 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.280 0.611 0.406 1.00 0.00 H new ATOM 0 HB VAL A 71 -13.366 3.444 0.148 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -13.633 3.285 2.587 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -14.582 2.043 1.736 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -13.056 1.603 2.538 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -11.515 4.117 1.625 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -10.848 2.470 1.534 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -10.923 3.482 0.072 1.00 0.00 H new ATOM 1224 N LYS A 72 -14.405 -0.278 -0.560 1.00 0.00 N ATOM 1225 CA LYS A 72 -15.708 -0.795 -0.957 1.00 0.00 C ATOM 1226 C LYS A 72 -16.764 -0.467 0.093 1.00 0.00 C ATOM 1227 O LYS A 72 -16.435 -0.069 1.211 1.00 0.00 O ATOM 1228 CB LYS A 72 -15.636 -2.308 -1.173 1.00 0.00 C ATOM 1229 CG LYS A 72 -16.518 -2.805 -2.306 1.00 0.00 C ATOM 1230 CD LYS A 72 -17.842 -3.344 -1.787 1.00 0.00 C ATOM 1231 CE LYS A 72 -18.990 -2.990 -2.718 1.00 0.00 C ATOM 1232 NZ LYS A 72 -20.213 -3.786 -2.419 1.00 0.00 N ATOM 0 H LYS A 72 -13.751 -0.989 -0.233 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.992 -0.316 -1.894 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.603 -2.588 -1.379 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.925 -2.812 -0.251 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.705 -1.991 -3.007 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -15.997 -3.587 -2.858 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -17.779 -4.427 -1.681 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -18.038 -2.937 -0.795 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -19.217 -1.928 -2.627 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -18.687 -3.164 -3.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -20.973 -3.515 -3.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -20.004 -4.799 -2.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -20.517 -3.601 -1.442 1.00 0.00 H new ATOM 1246 N ASP A 73 -18.034 -0.633 -0.277 1.00 0.00 N ATOM 1247 CA ASP A 73 -19.154 -0.352 0.623 1.00 0.00 C ATOM 1248 C ASP A 73 -18.863 -0.824 2.048 1.00 0.00 C ATOM 1249 O ASP A 73 -19.323 -0.220 3.016 1.00 0.00 O ATOM 1250 CB ASP A 73 -20.427 -1.023 0.105 1.00 0.00 C ATOM 1251 CG ASP A 73 -21.678 -0.467 0.756 1.00 0.00 C ATOM 1252 OD1 ASP A 73 -21.746 0.764 0.956 1.00 0.00 O ATOM 1253 OD2 ASP A 73 -22.591 -1.262 1.065 1.00 0.00 O ATOM 0 H ASP A 73 -18.315 -0.963 -1.200 1.00 0.00 H new ATOM 0 HA ASP A 73 -19.295 0.728 0.648 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -20.492 -0.889 -0.975 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -20.370 -2.096 0.290 1.00 0.00 H new ATOM 1258 N ASP A 74 -18.099 -1.903 2.167 1.00 0.00 N ATOM 1259 CA ASP A 74 -17.749 -2.450 3.473 1.00 0.00 C ATOM 1260 C ASP A 74 -16.631 -3.478 3.348 1.00 0.00 C ATOM 1261 O ASP A 74 -16.628 -4.492 4.046 1.00 0.00 O ATOM 1262 CB ASP A 74 -18.976 -3.088 4.126 1.00 0.00 C ATOM 1263 CG ASP A 74 -19.011 -2.870 5.626 1.00 0.00 C ATOM 1264 OD1 ASP A 74 -17.926 -2.774 6.237 1.00 0.00 O ATOM 1265 OD2 ASP A 74 -20.123 -2.794 6.189 1.00 0.00 O ATOM 0 H ASP A 74 -17.710 -2.416 1.376 1.00 0.00 H new ATOM 0 HA ASP A 74 -17.397 -1.632 4.101 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -19.879 -2.672 3.680 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -18.981 -4.158 3.917 1.00 0.00 H new ATOM 1270 N GLU A 75 -15.682 -3.212 2.455 1.00 0.00 N ATOM 1271 CA GLU A 75 -14.560 -4.119 2.243 1.00 0.00 C ATOM 1272 C GLU A 75 -13.398 -3.405 1.559 1.00 0.00 C ATOM 1273 O GLU A 75 -13.424 -3.175 0.352 1.00 0.00 O ATOM 1274 CB GLU A 75 -15.000 -5.317 1.400 1.00 0.00 C ATOM 1275 CG GLU A 75 -15.692 -6.407 2.204 1.00 0.00 C ATOM 1276 CD GLU A 75 -17.191 -6.432 1.982 1.00 0.00 C ATOM 1277 OE1 GLU A 75 -17.617 -6.570 0.816 1.00 0.00 O ATOM 1278 OE2 GLU A 75 -17.941 -6.314 2.973 1.00 0.00 O ATOM 0 H GLU A 75 -15.668 -2.378 1.868 1.00 0.00 H new ATOM 0 HA GLU A 75 -14.223 -4.469 3.218 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -15.675 -4.971 0.617 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -14.127 -5.742 0.904 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -15.272 -7.376 1.933 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -15.488 -6.257 3.264 1.00 0.00 H new ATOM 1285 N LEU A 76 -12.377 -3.062 2.337 1.00 0.00 N ATOM 1286 CA LEU A 76 -11.205 -2.380 1.802 1.00 0.00 C ATOM 1287 C LEU A 76 -10.418 -3.306 0.878 1.00 0.00 C ATOM 1288 O LEU A 76 -10.188 -4.471 1.203 1.00 0.00 O ATOM 1289 CB LEU A 76 -10.307 -1.892 2.940 1.00 0.00 C ATOM 1290 CG LEU A 76 -9.073 -1.103 2.498 1.00 0.00 C ATOM 1291 CD1 LEU A 76 -8.666 -0.103 3.569 1.00 0.00 C ATOM 1292 CD2 LEU A 76 -7.922 -2.049 2.184 1.00 0.00 C ATOM 0 H LEU A 76 -12.338 -3.245 3.340 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.545 -1.520 1.226 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.900 -1.266 3.607 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.979 -2.755 3.520 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.323 -0.551 1.592 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.787 0.449 3.236 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.485 0.593 3.747 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -8.434 -0.633 4.493 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.052 -1.472 1.871 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.673 -2.627 3.074 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.216 -2.726 1.382 1.00 0.00 H new ATOM 1304 N ILE A 77 -10.010 -2.782 -0.274 1.00 0.00 N ATOM 1305 CA ILE A 77 -9.253 -3.567 -1.241 1.00 0.00 C ATOM 1306 C ILE A 77 -7.952 -2.868 -1.627 1.00 0.00 C ATOM 1307 O ILE A 77 -7.953 -1.697 -2.003 1.00 0.00 O ATOM 1308 CB ILE A 77 -10.080 -3.836 -2.516 1.00 0.00 C ATOM 1309 CG1 ILE A 77 -10.325 -2.533 -3.285 1.00 0.00 C ATOM 1310 CG2 ILE A 77 -11.403 -4.501 -2.160 1.00 0.00 C ATOM 1311 CD1 ILE A 77 -9.312 -2.279 -4.379 1.00 0.00 C ATOM 0 H ILE A 77 -10.191 -1.820 -0.559 1.00 0.00 H new ATOM 0 HA ILE A 77 -9.018 -4.517 -0.761 1.00 0.00 H new ATOM 0 HB ILE A 77 -9.514 -4.511 -3.157 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -11.322 -2.561 -3.724 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -10.308 -1.698 -2.584 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -11.975 -4.684 -3.070 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -11.210 -5.448 -1.656 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -11.972 -3.848 -1.499 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -9.547 -1.340 -4.881 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.314 -2.218 -3.944 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.344 -3.095 -5.101 1.00 0.00 H new ATOM 1323 N LEU A 78 -6.844 -3.599 -1.535 1.00 0.00 N ATOM 1324 CA LEU A 78 -5.538 -3.048 -1.880 1.00 0.00 C ATOM 1325 C LEU A 78 -5.392 -2.924 -3.394 1.00 0.00 C ATOM 1326 O LEU A 78 -5.962 -3.711 -4.149 1.00 0.00 O ATOM 1327 CB LEU A 78 -4.423 -3.933 -1.318 1.00 0.00 C ATOM 1328 CG LEU A 78 -4.411 -4.066 0.206 1.00 0.00 C ATOM 1329 CD1 LEU A 78 -3.240 -4.925 0.659 1.00 0.00 C ATOM 1330 CD2 LEU A 78 -4.350 -2.693 0.858 1.00 0.00 C ATOM 0 H LEU A 78 -6.825 -4.571 -1.226 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.457 -2.055 -1.439 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.514 -4.928 -1.754 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.463 -3.531 -1.640 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.334 -4.555 0.517 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.249 -5.008 1.746 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.326 -5.918 0.219 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.306 -4.465 0.338 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.342 -2.805 1.942 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.443 -2.179 0.540 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.221 -2.110 0.560 1.00 0.00 H new ATOM 1342 N LEU A 79 -4.625 -1.930 -3.833 1.00 0.00 N ATOM 1343 CA LEU A 79 -4.411 -1.706 -5.258 1.00 0.00 C ATOM 1344 C LEU A 79 -2.981 -2.052 -5.664 1.00 0.00 C ATOM 1345 O LEU A 79 -2.746 -3.047 -6.349 1.00 0.00 O ATOM 1346 CB LEU A 79 -4.727 -0.252 -5.621 1.00 0.00 C ATOM 1347 CG LEU A 79 -5.775 -0.074 -6.721 1.00 0.00 C ATOM 1348 CD1 LEU A 79 -5.342 -0.790 -7.992 1.00 0.00 C ATOM 1349 CD2 LEU A 79 -7.129 -0.586 -6.253 1.00 0.00 C ATOM 0 H LEU A 79 -4.143 -1.269 -3.224 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.086 -2.364 -5.806 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.071 0.264 -4.725 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.805 0.237 -5.936 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.867 0.990 -6.942 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.100 -0.652 -8.763 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.394 -0.377 -8.337 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.222 -1.854 -7.787 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.863 -0.452 -7.047 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.052 -1.645 -6.005 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.444 -0.029 -5.371 1.00 0.00 H new ATOM 1361 N ARG A 80 -2.028 -1.224 -5.241 1.00 0.00 N ATOM 1362 CA ARG A 80 -0.625 -1.452 -5.573 1.00 0.00 C ATOM 1363 C ARG A 80 0.296 -0.753 -4.577 1.00 0.00 C ATOM 1364 O ARG A 80 -0.105 0.186 -3.889 1.00 0.00 O ATOM 1365 CB ARG A 80 -0.347 -0.980 -7.012 1.00 0.00 C ATOM 1366 CG ARG A 80 1.076 -0.499 -7.280 1.00 0.00 C ATOM 1367 CD ARG A 80 2.021 -1.661 -7.546 1.00 0.00 C ATOM 1368 NE ARG A 80 2.678 -1.542 -8.847 1.00 0.00 N ATOM 1369 CZ ARG A 80 3.203 -2.571 -9.511 1.00 0.00 C ATOM 1370 NH1 ARG A 80 3.153 -3.795 -9.002 1.00 0.00 N ATOM 1371 NH2 ARG A 80 3.780 -2.372 -10.688 1.00 0.00 N ATOM 0 H ARG A 80 -2.200 -0.395 -4.672 1.00 0.00 H new ATOM 0 HA ARG A 80 -0.419 -2.521 -5.510 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -0.570 -1.800 -7.695 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -1.037 -0.171 -7.250 1.00 0.00 H new ATOM 0 HG2 ARG A 80 1.077 0.175 -8.137 1.00 0.00 H new ATOM 0 HG3 ARG A 80 1.434 0.073 -6.424 1.00 0.00 H new ATOM 0 HD2 ARG A 80 2.776 -1.702 -6.761 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.465 -2.598 -7.504 1.00 0.00 H new ATOM 0 HE ARG A 80 2.738 -0.616 -9.271 1.00 0.00 H new ATOM 0 HH11 ARG A 80 2.711 -3.953 -8.097 1.00 0.00 H new ATOM 0 HH12 ARG A 80 3.557 -4.578 -9.516 1.00 0.00 H new ATOM 0 HH21 ARG A 80 3.821 -1.433 -11.083 1.00 0.00 H new ATOM 0 HH22 ARG A 80 4.183 -3.158 -11.198 1.00 0.00 H new ATOM 1385 N LEU A 81 1.536 -1.225 -4.515 1.00 0.00 N ATOM 1386 CA LEU A 81 2.537 -0.659 -3.615 1.00 0.00 C ATOM 1387 C LEU A 81 3.657 0.005 -4.410 1.00 0.00 C ATOM 1388 O LEU A 81 4.129 -0.542 -5.407 1.00 0.00 O ATOM 1389 CB LEU A 81 3.113 -1.757 -2.711 1.00 0.00 C ATOM 1390 CG LEU A 81 3.999 -1.274 -1.557 1.00 0.00 C ATOM 1391 CD1 LEU A 81 5.308 -0.707 -2.083 1.00 0.00 C ATOM 1392 CD2 LEU A 81 3.270 -0.238 -0.714 1.00 0.00 C ATOM 0 H LEU A 81 1.875 -2.003 -5.081 1.00 0.00 H new ATOM 0 HA LEU A 81 2.057 0.097 -2.994 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.285 -2.329 -2.293 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.694 -2.442 -3.328 1.00 0.00 H new ATOM 0 HG LEU A 81 4.227 -2.132 -0.924 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.921 -0.370 -1.247 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.842 -1.479 -2.637 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.101 0.135 -2.743 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.918 0.091 0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.006 0.617 -1.336 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.363 -0.679 -0.300 1.00 0.00 H new ATOM 1404 N GLY A 82 4.077 1.183 -3.966 1.00 0.00 N ATOM 1405 CA GLY A 82 5.139 1.896 -4.653 1.00 0.00 C ATOM 1406 C GLY A 82 5.846 2.894 -3.758 1.00 0.00 C ATOM 1407 O GLY A 82 5.429 3.126 -2.623 1.00 0.00 O ATOM 0 H GLY A 82 3.703 1.657 -3.144 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.865 1.178 -5.035 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.723 2.418 -5.515 1.00 0.00 H new ATOM 1411 N SER A 83 6.918 3.487 -4.273 1.00 0.00 N ATOM 1412 CA SER A 83 7.687 4.469 -3.516 1.00 0.00 C ATOM 1413 C SER A 83 7.478 5.871 -4.076 1.00 0.00 C ATOM 1414 O SER A 83 6.889 6.043 -5.144 1.00 0.00 O ATOM 1415 CB SER A 83 9.174 4.111 -3.542 1.00 0.00 C ATOM 1416 OG SER A 83 9.523 3.295 -2.438 1.00 0.00 O ATOM 0 H SER A 83 7.274 3.305 -5.211 1.00 0.00 H new ATOM 0 HA SER A 83 7.335 4.454 -2.484 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.410 3.591 -4.471 1.00 0.00 H new ATOM 0 HB3 SER A 83 9.771 5.023 -3.527 1.00 0.00 H new ATOM 0 HG SER A 83 9.292 3.756 -1.605 1.00 0.00 H new ATOM 1422 N HIS A 84 7.965 6.872 -3.351 1.00 0.00 N ATOM 1423 CA HIS A 84 7.830 8.262 -3.774 1.00 0.00 C ATOM 1424 C HIS A 84 8.483 8.487 -5.136 1.00 0.00 C ATOM 1425 O HIS A 84 8.094 9.389 -5.878 1.00 0.00 O ATOM 1426 CB HIS A 84 8.456 9.194 -2.737 1.00 0.00 C ATOM 1427 CG HIS A 84 7.781 10.530 -2.651 1.00 0.00 C ATOM 1428 ND1 HIS A 84 7.318 11.063 -1.466 1.00 0.00 N ATOM 1429 CD2 HIS A 84 7.493 11.440 -3.610 1.00 0.00 C ATOM 1430 CE1 HIS A 84 6.773 12.243 -1.701 1.00 0.00 C ATOM 1431 NE2 HIS A 84 6.867 12.496 -2.993 1.00 0.00 N ATOM 0 H HIS A 84 8.457 6.747 -2.467 1.00 0.00 H new ATOM 0 HA HIS A 84 6.767 8.486 -3.862 1.00 0.00 H new ATOM 0 HB2 HIS A 84 8.420 8.714 -1.759 1.00 0.00 H new ATOM 0 HB3 HIS A 84 9.508 9.342 -2.981 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.714 11.353 -4.664 1.00 0.00 H new ATOM 0 HE1 HIS A 84 6.326 12.891 -0.961 1.00 0.00 H new ATOM 0 HE2 HIS A 84 6.530 13.339 -3.458 1.00 0.00 H new ATOM 1440 N SER A 85 9.479 7.667 -5.456 1.00 0.00 N ATOM 1441 CA SER A 85 10.185 7.782 -6.727 1.00 0.00 C ATOM 1442 C SER A 85 9.437 7.053 -7.840 1.00 0.00 C ATOM 1443 O SER A 85 9.549 7.411 -9.013 1.00 0.00 O ATOM 1444 CB SER A 85 11.602 7.222 -6.598 1.00 0.00 C ATOM 1445 OG SER A 85 12.355 7.462 -7.776 1.00 0.00 O ATOM 0 H SER A 85 9.815 6.916 -4.853 1.00 0.00 H new ATOM 0 HA SER A 85 10.239 8.839 -6.987 1.00 0.00 H new ATOM 0 HB2 SER A 85 12.101 7.680 -5.744 1.00 0.00 H new ATOM 0 HB3 SER A 85 11.557 6.150 -6.404 1.00 0.00 H new ATOM 0 HG SER A 85 13.258 7.096 -7.668 1.00 0.00 H new ATOM 1451 N GLU A 86 8.679 6.027 -7.468 1.00 0.00 N ATOM 1452 CA GLU A 86 7.917 5.248 -8.439 1.00 0.00 C ATOM 1453 C GLU A 86 6.611 5.949 -8.799 1.00 0.00 C ATOM 1454 O GLU A 86 6.444 6.435 -9.918 1.00 0.00 O ATOM 1455 CB GLU A 86 7.627 3.851 -7.888 1.00 0.00 C ATOM 1456 CG GLU A 86 8.873 3.093 -7.462 1.00 0.00 C ATOM 1457 CD GLU A 86 8.701 1.591 -7.553 1.00 0.00 C ATOM 1458 OE1 GLU A 86 7.740 1.066 -6.953 1.00 0.00 O ATOM 1459 OE2 GLU A 86 9.528 0.936 -8.223 1.00 0.00 O ATOM 0 H GLU A 86 8.576 5.715 -6.502 1.00 0.00 H new ATOM 0 HA GLU A 86 8.517 5.156 -9.344 1.00 0.00 H new ATOM 0 HB2 GLU A 86 6.956 3.939 -7.034 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.102 3.272 -8.648 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.711 3.398 -8.089 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.126 3.365 -6.437 1.00 0.00 H new ATOM 1466 N LEU A 87 5.686 5.993 -7.846 1.00 0.00 N ATOM 1467 CA LEU A 87 4.394 6.631 -8.066 1.00 0.00 C ATOM 1468 C LEU A 87 4.550 8.139 -8.230 1.00 0.00 C ATOM 1469 O LEU A 87 3.861 8.761 -9.037 1.00 0.00 O ATOM 1470 CB LEU A 87 3.445 6.327 -6.903 1.00 0.00 C ATOM 1471 CG LEU A 87 3.328 4.848 -6.531 1.00 0.00 C ATOM 1472 CD1 LEU A 87 2.286 4.652 -5.441 1.00 0.00 C ATOM 1473 CD2 LEU A 87 2.984 4.015 -7.758 1.00 0.00 C ATOM 0 H LEU A 87 5.807 5.595 -6.915 1.00 0.00 H new ATOM 0 HA LEU A 87 3.971 6.227 -8.986 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.781 6.881 -6.026 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.453 6.702 -7.156 1.00 0.00 H new ATOM 0 HG LEU A 87 4.291 4.512 -6.147 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.217 3.594 -5.190 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.575 5.217 -4.555 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.318 5.005 -5.796 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.905 2.965 -7.475 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.034 4.352 -8.172 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.767 4.130 -8.507 1.00 0.00 H new ATOM 1485 N PHE A 88 5.461 8.722 -7.457 1.00 0.00 N ATOM 1486 CA PHE A 88 5.706 10.159 -7.518 1.00 0.00 C ATOM 1487 C PHE A 88 7.052 10.454 -8.172 1.00 0.00 C ATOM 1488 O PHE A 88 7.591 11.557 -7.942 1.00 0.00 O ATOM 1489 CB PHE A 88 5.665 10.765 -6.113 1.00 0.00 C ATOM 1490 CG PHE A 88 4.296 11.224 -5.698 1.00 0.00 C ATOM 1491 CD1 PHE A 88 3.719 12.341 -6.281 1.00 0.00 C ATOM 1492 CD2 PHE A 88 3.585 10.538 -4.725 1.00 0.00 C ATOM 1493 CE1 PHE A 88 2.459 12.765 -5.902 1.00 0.00 C ATOM 1494 CE2 PHE A 88 2.326 10.958 -4.342 1.00 0.00 C ATOM 1495 CZ PHE A 88 1.763 12.074 -4.930 1.00 0.00 C ATOM 1496 OXT PHE A 88 7.556 9.580 -8.907 1.00 0.00 O ATOM 0 H PHE A 88 6.041 8.223 -6.782 1.00 0.00 H new ATOM 0 HA PHE A 88 4.921 10.611 -8.124 1.00 0.00 H new ATOM 0 HB2 PHE A 88 6.024 10.026 -5.397 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.351 11.611 -6.070 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.260 12.886 -7.040 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.021 9.665 -4.261 1.00 0.00 H new ATOM 0 HE1 PHE A 88 2.019 13.636 -6.366 1.00 0.00 H new ATOM 0 HE2 PHE A 88 1.782 10.414 -3.584 1.00 0.00 H new ATOM 0 HZ PHE A 88 0.780 12.406 -4.630 1.00 0.00 H new