USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 786 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 Single : A 3 TYR OH : rot 165:sc= -0.25 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 160:sc= 1.26 (180deg=1.1) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc= -0.0921 X(o=-0.092,f=0) USER MOD Single : A 15 MET CE :methyl -173:sc= -0.62 (180deg=-0.747) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot -94:sc= -4.22! USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HE2:sc= -3.91! C(o=-3.9!,f=-7.4!) USER MOD Single : A 46 THR OG1 : rot 78:sc= 1.13 USER MOD Single : A 48 ASN : amide:sc= -0.0859 K(o=-0.086,f=-0.88) USER MOD Single : B 3 TYR OH : rot 165:sc= -0.377 USER MOD Single : B 8 TYR OH : rot 180:sc= 0 USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : B 13 GLN : amide:sc= -0.0248 X(o=-0.025,f=-0.51) USER MOD Single : B 15 MET CE :methyl -176:sc= 0 (180deg=-0.044) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 TYR OH : rot -140:sc= -2.19! USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 40 HIS : no HE2:sc= -0.266 K(o=-0.27,f=-2.5) USER MOD Single : B 46 THR OG1 : rot 79:sc= 1.06 USER MOD Single : B 48 ASN : amide:sc= -0.302 X(o=-0.3,f=-0.04) USER MOD ----------------------------------------------------------------- ATOM 32 N TYR A 3 -2.547 -15.655 -4.455 1.00 0.00 N ATOM 33 CA TYR A 3 -1.653 -14.609 -4.995 1.00 0.00 C ATOM 34 C TYR A 3 -1.751 -13.227 -4.316 1.00 0.00 C ATOM 35 O TYR A 3 -0.832 -12.416 -4.410 1.00 0.00 O ATOM 36 CB TYR A 3 -1.902 -14.480 -6.514 1.00 0.00 C ATOM 37 CG TYR A 3 -3.276 -13.945 -6.891 1.00 0.00 C ATOM 38 CD1 TYR A 3 -4.371 -14.822 -7.035 1.00 0.00 C ATOM 39 CD2 TYR A 3 -3.459 -12.563 -7.088 1.00 0.00 C ATOM 40 CE1 TYR A 3 -5.655 -14.312 -7.316 1.00 0.00 C ATOM 41 CE2 TYR A 3 -4.739 -12.049 -7.373 1.00 0.00 C ATOM 42 CZ TYR A 3 -5.844 -12.922 -7.475 1.00 0.00 C ATOM 43 OH TYR A 3 -7.082 -12.418 -7.730 1.00 0.00 O ATOM 0 HA TYR A 3 -0.638 -14.941 -4.777 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -1.143 -13.823 -6.938 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -1.770 -15.459 -6.974 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -4.226 -15.887 -6.930 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -2.614 -11.894 -7.020 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -6.494 -14.985 -7.410 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -4.875 -10.987 -7.514 1.00 0.00 H new ATOM 0 HH TYR A 3 -7.079 -11.450 -7.577 1.00 0.00 H new ATOM 53 N LEU A 4 -2.851 -12.948 -3.616 1.00 0.00 N ATOM 54 CA LEU A 4 -3.117 -11.712 -2.894 1.00 0.00 C ATOM 55 C LEU A 4 -2.445 -11.607 -1.542 1.00 0.00 C ATOM 56 O LEU A 4 -2.163 -10.495 -1.114 1.00 0.00 O ATOM 57 CB LEU A 4 -4.637 -11.472 -2.772 1.00 0.00 C ATOM 58 CG LEU A 4 -5.571 -12.258 -3.712 1.00 0.00 C ATOM 59 CD1 LEU A 4 -5.953 -13.639 -3.170 1.00 0.00 C ATOM 60 CD2 LEU A 4 -6.869 -11.488 -3.943 1.00 0.00 C ATOM 0 H LEU A 4 -3.618 -13.616 -3.536 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.665 -10.924 -3.496 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -4.929 -11.697 -1.746 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -4.821 -10.409 -2.930 1.00 0.00 H new ATOM 0 HG LEU A 4 -5.009 -12.387 -4.637 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -6.612 -14.139 -3.880 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.052 -14.236 -3.028 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.467 -13.526 -2.216 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.517 -12.058 -4.609 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.375 -11.333 -2.990 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -6.644 -10.522 -4.395 1.00 0.00 H new ATOM 72 N ARG A 5 -2.051 -12.717 -0.931 1.00 0.00 N ATOM 73 CA ARG A 5 -1.042 -12.664 0.139 1.00 0.00 C ATOM 74 C ARG A 5 0.283 -12.099 -0.388 1.00 0.00 C ATOM 75 O ARG A 5 0.880 -11.246 0.262 1.00 0.00 O ATOM 76 CB ARG A 5 -0.916 -14.061 0.764 1.00 0.00 C ATOM 77 CG ARG A 5 0.172 -14.108 1.837 1.00 0.00 C ATOM 78 CD ARG A 5 0.134 -15.439 2.597 1.00 0.00 C ATOM 79 NE ARG A 5 1.388 -15.661 3.346 1.00 0.00 N ATOM 80 CZ ARG A 5 2.490 -16.231 2.890 1.00 0.00 C ATOM 81 NH1 ARG A 5 2.581 -16.701 1.676 1.00 0.00 N ATOM 82 NH2 ARG A 5 3.541 -16.336 3.651 1.00 0.00 N ATOM 0 H ARG A 5 -2.401 -13.651 -1.146 1.00 0.00 H new ATOM 0 HA ARG A 5 -1.351 -11.978 0.928 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -1.871 -14.350 1.202 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -0.689 -14.789 -0.015 1.00 0.00 H new ATOM 0 HG2 ARG A 5 1.150 -13.977 1.375 1.00 0.00 H new ATOM 0 HG3 ARG A 5 0.036 -13.282 2.535 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -0.710 -15.444 3.286 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -0.023 -16.258 1.895 1.00 0.00 H new ATOM 0 HE ARG A 5 1.405 -15.342 4.315 1.00 0.00 H new ATOM 0 HH11 ARG A 5 1.784 -16.635 1.043 1.00 0.00 H new ATOM 0 HH12 ARG A 5 3.449 -17.134 1.361 1.00 0.00 H new ATOM 0 HH21 ARG A 5 3.517 -15.977 4.606 1.00 0.00 H new ATOM 0 HH22 ARG A 5 4.388 -16.777 3.293 1.00 0.00 H new ATOM 96 N GLU A 6 0.678 -12.486 -1.604 1.00 0.00 N ATOM 97 CA GLU A 6 1.803 -11.931 -2.366 1.00 0.00 C ATOM 98 C GLU A 6 1.614 -10.465 -2.824 1.00 0.00 C ATOM 99 O GLU A 6 2.587 -9.822 -3.214 1.00 0.00 O ATOM 100 CB GLU A 6 2.116 -12.866 -3.534 1.00 0.00 C ATOM 101 CG GLU A 6 3.442 -13.596 -3.287 1.00 0.00 C ATOM 102 CD GLU A 6 4.656 -12.943 -3.973 1.00 0.00 C ATOM 103 OE1 GLU A 6 4.714 -12.902 -5.226 1.00 0.00 O ATOM 104 OE2 GLU A 6 5.589 -12.520 -3.248 1.00 0.00 O ATOM 0 H GLU A 6 0.199 -13.231 -2.110 1.00 0.00 H new ATOM 0 HA GLU A 6 2.657 -11.878 -1.691 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.311 -13.590 -3.655 1.00 0.00 H new ATOM 0 HB3 GLU A 6 2.174 -12.295 -4.461 1.00 0.00 H new ATOM 0 HG2 GLU A 6 3.625 -13.641 -2.213 1.00 0.00 H new ATOM 0 HG3 GLU A 6 3.349 -14.624 -3.638 1.00 0.00 H new ATOM 111 N LEU A 7 0.396 -9.910 -2.725 1.00 0.00 N ATOM 112 CA LEU A 7 0.095 -8.486 -2.941 1.00 0.00 C ATOM 113 C LEU A 7 0.079 -7.712 -1.628 1.00 0.00 C ATOM 114 O LEU A 7 0.732 -6.685 -1.530 1.00 0.00 O ATOM 115 CB LEU A 7 -1.241 -8.332 -3.680 1.00 0.00 C ATOM 116 CG LEU A 7 -1.129 -8.743 -5.156 1.00 0.00 C ATOM 117 CD1 LEU A 7 -2.433 -9.267 -5.756 1.00 0.00 C ATOM 118 CD2 LEU A 7 -0.729 -7.529 -5.984 1.00 0.00 C ATOM 0 H LEU A 7 -0.431 -10.456 -2.485 1.00 0.00 H new ATOM 0 HA LEU A 7 0.888 -8.064 -3.558 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.000 -8.942 -3.190 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.574 -7.296 -3.616 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.391 -9.545 -5.183 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.271 -9.536 -6.800 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.761 -10.146 -5.202 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.198 -8.493 -5.695 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.648 -7.815 -7.033 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.485 -6.751 -5.877 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.232 -7.152 -5.635 1.00 0.00 H new ATOM 130 N TYR A 8 -0.592 -8.218 -0.597 1.00 0.00 N ATOM 131 CA TYR A 8 -0.594 -7.676 0.766 1.00 0.00 C ATOM 132 C TYR A 8 0.819 -7.445 1.311 1.00 0.00 C ATOM 133 O TYR A 8 1.138 -6.343 1.764 1.00 0.00 O ATOM 134 CB TYR A 8 -1.393 -8.646 1.652 1.00 0.00 C ATOM 135 CG TYR A 8 -2.357 -8.029 2.655 1.00 0.00 C ATOM 136 CD1 TYR A 8 -2.007 -6.896 3.419 1.00 0.00 C ATOM 137 CD2 TYR A 8 -3.642 -8.594 2.798 1.00 0.00 C ATOM 138 CE1 TYR A 8 -2.944 -6.322 4.303 1.00 0.00 C ATOM 139 CE2 TYR A 8 -4.581 -8.019 3.674 1.00 0.00 C ATOM 140 CZ TYR A 8 -4.236 -6.879 4.429 1.00 0.00 C ATOM 141 OH TYR A 8 -5.147 -6.334 5.280 1.00 0.00 O ATOM 0 H TYR A 8 -1.174 -9.051 -0.688 1.00 0.00 H new ATOM 0 HA TYR A 8 -1.062 -6.692 0.763 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -1.961 -9.311 1.001 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -0.684 -9.266 2.200 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -1.020 -6.467 3.327 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -3.907 -9.474 2.231 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -2.673 -5.454 4.885 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -5.566 -8.451 3.768 1.00 0.00 H new ATOM 0 HH TYR A 8 -5.982 -6.845 5.237 1.00 0.00 H new ATOM 151 N LYS A 9 1.694 -8.447 1.166 1.00 0.00 N ATOM 152 CA LYS A 9 3.132 -8.362 1.509 1.00 0.00 C ATOM 153 C LYS A 9 3.954 -7.354 0.696 1.00 0.00 C ATOM 154 O LYS A 9 5.138 -7.180 0.974 1.00 0.00 O ATOM 155 CB LYS A 9 3.772 -9.767 1.504 1.00 0.00 C ATOM 156 CG LYS A 9 3.859 -10.415 0.109 1.00 0.00 C ATOM 157 CD LYS A 9 5.120 -10.121 -0.720 1.00 0.00 C ATOM 158 CE LYS A 9 6.380 -10.846 -0.227 1.00 0.00 C ATOM 159 NZ LYS A 9 6.375 -12.282 -0.610 1.00 0.00 N ATOM 0 H LYS A 9 1.424 -9.360 0.800 1.00 0.00 H new ATOM 0 HA LYS A 9 3.159 -7.952 2.519 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.776 -9.699 1.924 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.196 -10.419 2.160 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.778 -11.495 0.232 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.992 -10.094 -0.468 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.934 -10.403 -1.756 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.305 -9.047 -0.711 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.264 -10.362 -0.642 1.00 0.00 H new ATOM 0 HE3 LYS A 9 6.449 -10.759 0.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.345 -12.655 -0.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.774 -12.815 0.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.002 -12.382 -1.576 1.00 0.00 H new ATOM 173 N LEU A 10 3.344 -6.702 -0.290 1.00 0.00 N ATOM 174 CA LEU A 10 3.962 -5.738 -1.203 1.00 0.00 C ATOM 175 C LEU A 10 3.277 -4.355 -1.112 1.00 0.00 C ATOM 176 O LEU A 10 3.974 -3.352 -1.016 1.00 0.00 O ATOM 177 CB LEU A 10 4.069 -6.415 -2.590 1.00 0.00 C ATOM 178 CG LEU A 10 3.534 -5.598 -3.764 1.00 0.00 C ATOM 179 CD1 LEU A 10 4.497 -4.494 -4.204 1.00 0.00 C ATOM 180 CD2 LEU A 10 3.235 -6.501 -4.961 1.00 0.00 C ATOM 0 H LEU A 10 2.352 -6.837 -0.486 1.00 0.00 H new ATOM 0 HA LEU A 10 4.984 -5.479 -0.928 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.116 -6.649 -2.781 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.532 -7.363 -2.555 1.00 0.00 H new ATOM 0 HG LEU A 10 2.617 -5.126 -3.411 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.064 -3.946 -5.041 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.670 -3.810 -3.373 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.444 -4.938 -4.511 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.855 -5.898 -5.786 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.149 -7.007 -5.272 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.488 -7.243 -4.679 1.00 0.00 H new ATOM 192 N GLU A 11 1.946 -4.269 -1.044 1.00 0.00 N ATOM 193 CA GLU A 11 1.200 -3.005 -0.960 1.00 0.00 C ATOM 194 C GLU A 11 1.350 -2.357 0.424 1.00 0.00 C ATOM 195 O GLU A 11 1.646 -1.167 0.516 1.00 0.00 O ATOM 196 CB GLU A 11 -0.288 -3.263 -1.261 1.00 0.00 C ATOM 197 CG GLU A 11 -0.609 -3.551 -2.738 1.00 0.00 C ATOM 198 CD GLU A 11 -0.999 -2.279 -3.502 1.00 0.00 C ATOM 199 OE1 GLU A 11 -2.037 -1.617 -3.324 1.00 0.00 O ATOM 200 OE2 GLU A 11 -0.382 -1.762 -4.450 1.00 0.00 O ATOM 0 H GLU A 11 1.342 -5.091 -1.046 1.00 0.00 H new ATOM 0 HA GLU A 11 1.611 -2.316 -1.698 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.624 -4.108 -0.660 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.864 -2.395 -0.942 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.258 -4.008 -3.215 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.423 -4.273 -2.798 1.00 0.00 H new ATOM 207 N GLN A 12 1.216 -3.129 1.509 1.00 0.00 N ATOM 208 CA GLN A 12 1.446 -2.647 2.876 1.00 0.00 C ATOM 209 C GLN A 12 2.940 -2.436 3.185 1.00 0.00 C ATOM 210 O GLN A 12 3.296 -1.549 3.962 1.00 0.00 O ATOM 211 CB GLN A 12 0.792 -3.625 3.865 1.00 0.00 C ATOM 212 CG GLN A 12 -0.388 -2.988 4.600 1.00 0.00 C ATOM 213 CD GLN A 12 0.042 -2.072 5.745 1.00 0.00 C ATOM 214 OE1 GLN A 12 0.299 -0.890 5.573 1.00 0.00 O ATOM 215 NE2 GLN A 12 0.136 -2.578 6.957 1.00 0.00 N ATOM 0 H GLN A 12 0.944 -4.111 1.463 1.00 0.00 H new ATOM 0 HA GLN A 12 0.986 -1.664 2.980 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.450 -4.510 3.328 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.534 -3.959 4.590 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.985 -2.416 3.890 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -1.030 -3.775 4.994 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.075 -3.563 7.116 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.420 -1.985 7.737 1.00 0.00 H new ATOM 224 N GLN A 13 3.833 -3.190 2.534 1.00 0.00 N ATOM 225 CA GLN A 13 5.274 -2.927 2.564 1.00 0.00 C ATOM 226 C GLN A 13 5.616 -1.604 1.865 1.00 0.00 C ATOM 227 O GLN A 13 6.342 -0.792 2.433 1.00 0.00 O ATOM 228 CB GLN A 13 6.030 -4.110 1.960 1.00 0.00 C ATOM 229 CG GLN A 13 6.742 -4.992 3.006 1.00 0.00 C ATOM 230 CD GLN A 13 8.171 -4.548 3.323 1.00 0.00 C ATOM 231 OE1 GLN A 13 9.122 -5.309 3.200 1.00 0.00 O ATOM 232 NE2 GLN A 13 8.405 -3.321 3.743 1.00 0.00 N ATOM 0 H GLN A 13 3.575 -4.001 1.971 1.00 0.00 H new ATOM 0 HA GLN A 13 5.591 -2.818 3.601 1.00 0.00 H new ATOM 0 HB2 GLN A 13 5.331 -4.726 1.394 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.769 -3.734 1.252 1.00 0.00 H new ATOM 0 HG2 GLN A 13 6.159 -4.989 3.927 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.763 -6.020 2.645 1.00 0.00 H new ATOM 0 HE21 GLN A 13 7.633 -2.664 3.855 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.359 -3.028 3.956 1.00 0.00 H new ATOM 241 N ALA A 14 5.048 -1.349 0.682 1.00 0.00 N ATOM 242 CA ALA A 14 5.188 -0.085 -0.037 1.00 0.00 C ATOM 243 C ALA A 14 4.559 1.095 0.719 1.00 0.00 C ATOM 244 O ALA A 14 5.160 2.161 0.759 1.00 0.00 O ATOM 245 CB ALA A 14 4.602 -0.234 -1.446 1.00 0.00 C ATOM 0 H ALA A 14 4.468 -2.030 0.191 1.00 0.00 H new ATOM 0 HA ALA A 14 6.250 0.147 -0.115 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.705 0.708 -1.985 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.137 -1.019 -1.981 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.547 -0.498 -1.375 1.00 0.00 H new ATOM 251 N MET A 15 3.412 0.923 1.389 1.00 0.00 N ATOM 252 CA MET A 15 2.796 1.952 2.248 1.00 0.00 C ATOM 253 C MET A 15 3.777 2.505 3.290 1.00 0.00 C ATOM 254 O MET A 15 3.904 3.720 3.462 1.00 0.00 O ATOM 255 CB MET A 15 1.575 1.353 2.961 1.00 0.00 C ATOM 256 CG MET A 15 0.877 2.364 3.883 1.00 0.00 C ATOM 257 SD MET A 15 -0.925 2.391 3.737 1.00 0.00 S ATOM 258 CE MET A 15 -0.992 3.054 2.056 1.00 0.00 C ATOM 0 H MET A 15 2.876 0.056 1.352 1.00 0.00 H new ATOM 0 HA MET A 15 2.497 2.782 1.608 1.00 0.00 H new ATOM 0 HB2 MET A 15 0.864 0.994 2.217 1.00 0.00 H new ATOM 0 HB3 MET A 15 1.888 0.488 3.546 1.00 0.00 H new ATOM 0 HG2 MET A 15 1.142 2.138 4.916 1.00 0.00 H new ATOM 0 HG3 MET A 15 1.262 3.361 3.666 1.00 0.00 H new ATOM 0 HE1 MET A 15 -2.026 3.275 1.793 1.00 0.00 H new ATOM 0 HE2 MET A 15 -0.400 3.968 2.001 1.00 0.00 H new ATOM 0 HE3 MET A 15 -0.589 2.319 1.359 1.00 0.00 H new ATOM 268 N LYS A 16 4.513 1.598 3.938 1.00 0.00 N ATOM 269 CA LYS A 16 5.568 1.891 4.916 1.00 0.00 C ATOM 270 C LYS A 16 6.688 2.763 4.353 1.00 0.00 C ATOM 271 O LYS A 16 7.299 3.529 5.090 1.00 0.00 O ATOM 272 CB LYS A 16 6.136 0.552 5.408 1.00 0.00 C ATOM 273 CG LYS A 16 6.418 0.565 6.924 1.00 0.00 C ATOM 274 CD LYS A 16 6.474 -0.829 7.572 1.00 0.00 C ATOM 275 CE LYS A 16 7.725 -1.637 7.204 1.00 0.00 C ATOM 276 NZ LYS A 16 7.736 -2.956 7.895 1.00 0.00 N ATOM 0 H LYS A 16 4.386 0.597 3.790 1.00 0.00 H new ATOM 0 HA LYS A 16 5.128 2.463 5.733 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.431 -0.247 5.177 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.057 0.330 4.870 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.366 1.073 7.100 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.645 1.152 7.420 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.432 -0.717 8.655 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.589 -1.392 7.275 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.759 -1.788 6.125 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.618 -1.074 7.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.593 -3.481 7.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.727 -2.809 8.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.895 -3.501 7.616 1.00 0.00 H new ATOM 290 N LEU A 17 6.938 2.660 3.048 1.00 0.00 N ATOM 291 CA LEU A 17 7.989 3.356 2.333 1.00 0.00 C ATOM 292 C LEU A 17 7.486 4.656 1.736 1.00 0.00 C ATOM 293 O LEU A 17 8.220 5.638 1.770 1.00 0.00 O ATOM 294 CB LEU A 17 8.508 2.448 1.222 1.00 0.00 C ATOM 295 CG LEU A 17 9.091 1.163 1.797 1.00 0.00 C ATOM 296 CD1 LEU A 17 9.389 0.186 0.667 1.00 0.00 C ATOM 297 CD2 LEU A 17 10.345 1.400 2.641 1.00 0.00 C ATOM 0 H LEU A 17 6.383 2.059 2.439 1.00 0.00 H new ATOM 0 HA LEU A 17 8.788 3.599 3.034 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.697 2.208 0.534 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.270 2.972 0.645 1.00 0.00 H new ATOM 0 HG LEU A 17 8.343 0.741 2.468 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.806 -0.732 1.080 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.468 -0.043 0.131 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.107 0.633 -0.021 1.00 0.00 H new ATOM 0 HD21 LEU A 17 10.712 0.447 3.022 1.00 0.00 H new ATOM 0 HD22 LEU A 17 11.115 1.866 2.026 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.102 2.056 3.477 1.00 0.00 H new ATOM 309 N TYR A 18 6.233 4.699 1.267 1.00 0.00 N ATOM 310 CA TYR A 18 5.609 5.938 0.842 1.00 0.00 C ATOM 311 C TYR A 18 5.645 6.987 1.966 1.00 0.00 C ATOM 312 O TYR A 18 6.136 8.094 1.750 1.00 0.00 O ATOM 313 CB TYR A 18 4.187 5.622 0.360 1.00 0.00 C ATOM 314 CG TYR A 18 4.098 5.050 -1.047 1.00 0.00 C ATOM 315 CD1 TYR A 18 4.612 5.786 -2.131 1.00 0.00 C ATOM 316 CD2 TYR A 18 3.475 3.809 -1.290 1.00 0.00 C ATOM 317 CE1 TYR A 18 4.517 5.294 -3.442 1.00 0.00 C ATOM 318 CE2 TYR A 18 3.388 3.302 -2.602 1.00 0.00 C ATOM 319 CZ TYR A 18 3.898 4.052 -3.679 1.00 0.00 C ATOM 320 OH TYR A 18 3.754 3.601 -4.952 1.00 0.00 O ATOM 0 H TYR A 18 5.635 3.878 1.176 1.00 0.00 H new ATOM 0 HA TYR A 18 6.162 6.379 0.013 1.00 0.00 H new ATOM 0 HB2 TYR A 18 3.733 4.914 1.053 1.00 0.00 H new ATOM 0 HB3 TYR A 18 3.593 6.535 0.403 1.00 0.00 H new ATOM 0 HD1 TYR A 18 5.085 6.740 -1.952 1.00 0.00 H new ATOM 0 HD2 TYR A 18 3.063 3.244 -0.467 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.917 5.866 -4.266 1.00 0.00 H new ATOM 0 HE2 TYR A 18 2.931 2.340 -2.781 1.00 0.00 H new ATOM 0 HH TYR A 18 2.873 3.860 -5.293 1.00 0.00 H new ATOM 330 N ARG A 19 5.241 6.634 3.195 1.00 0.00 N ATOM 331 CA ARG A 19 5.287 7.557 4.350 1.00 0.00 C ATOM 332 C ARG A 19 6.708 7.938 4.786 1.00 0.00 C ATOM 333 O ARG A 19 6.934 9.076 5.193 1.00 0.00 O ATOM 334 CB ARG A 19 4.444 6.998 5.512 1.00 0.00 C ATOM 335 CG ARG A 19 4.973 5.684 6.111 1.00 0.00 C ATOM 336 CD ARG A 19 3.952 5.024 7.051 1.00 0.00 C ATOM 337 NE ARG A 19 4.335 5.132 8.473 1.00 0.00 N ATOM 338 CZ ARG A 19 3.672 4.626 9.498 1.00 0.00 C ATOM 339 NH1 ARG A 19 2.538 4.001 9.348 1.00 0.00 N ATOM 340 NH2 ARG A 19 4.140 4.735 10.707 1.00 0.00 N ATOM 0 H ARG A 19 4.875 5.709 3.421 1.00 0.00 H new ATOM 0 HA ARG A 19 4.844 8.497 4.022 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.394 7.748 6.301 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.425 6.838 5.160 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.222 4.993 5.305 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.895 5.881 6.659 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.977 5.488 6.905 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.847 3.972 6.786 1.00 0.00 H new ATOM 0 HE ARG A 19 5.191 5.645 8.684 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.136 3.890 8.417 1.00 0.00 H new ATOM 0 HH12 ARG A 19 2.053 3.623 10.161 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.026 5.214 10.870 1.00 0.00 H new ATOM 0 HH22 ARG A 19 3.621 4.341 11.492 1.00 0.00 H new ATOM 354 N GLU A 20 7.671 7.021 4.671 1.00 0.00 N ATOM 355 CA GLU A 20 9.065 7.263 5.087 1.00 0.00 C ATOM 356 C GLU A 20 9.803 8.171 4.098 1.00 0.00 C ATOM 357 O GLU A 20 10.427 9.163 4.477 1.00 0.00 O ATOM 358 CB GLU A 20 9.803 5.921 5.184 1.00 0.00 C ATOM 359 CG GLU A 20 11.009 5.938 6.134 1.00 0.00 C ATOM 360 CD GLU A 20 10.586 5.939 7.617 1.00 0.00 C ATOM 361 OE1 GLU A 20 10.311 7.027 8.177 1.00 0.00 O ATOM 362 OE2 GLU A 20 10.544 4.851 8.243 1.00 0.00 O ATOM 0 H GLU A 20 7.513 6.089 4.288 1.00 0.00 H new ATOM 0 HA GLU A 20 9.046 7.763 6.056 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.102 5.156 5.517 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.141 5.632 4.189 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.635 5.068 5.938 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.616 6.820 5.931 1.00 0.00 H new ATOM 369 N ALA A 21 9.670 7.847 2.812 1.00 0.00 N ATOM 370 CA ALA A 21 10.159 8.660 1.700 1.00 0.00 C ATOM 371 C ALA A 21 9.543 10.070 1.711 1.00 0.00 C ATOM 372 O ALA A 21 10.276 11.044 1.554 1.00 0.00 O ATOM 373 CB ALA A 21 9.888 7.934 0.377 1.00 0.00 C ATOM 0 H ALA A 21 9.208 6.990 2.508 1.00 0.00 H new ATOM 0 HA ALA A 21 11.235 8.794 1.812 1.00 0.00 H new ATOM 0 HB1 ALA A 21 10.253 8.540 -0.452 1.00 0.00 H new ATOM 0 HB2 ALA A 21 10.402 6.973 0.377 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.816 7.772 0.264 1.00 0.00 H new ATOM 379 N SER A 22 8.233 10.209 1.968 1.00 0.00 N ATOM 380 CA SER A 22 7.549 11.513 2.064 1.00 0.00 C ATOM 381 C SER A 22 8.217 12.475 3.046 1.00 0.00 C ATOM 382 O SER A 22 8.427 13.647 2.734 1.00 0.00 O ATOM 383 CB SER A 22 6.096 11.318 2.502 1.00 0.00 C ATOM 384 OG SER A 22 5.304 12.415 2.086 1.00 0.00 O ATOM 0 H SER A 22 7.611 9.414 2.117 1.00 0.00 H new ATOM 0 HA SER A 22 7.606 11.953 1.068 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.702 10.395 2.077 1.00 0.00 H new ATOM 0 HB3 SER A 22 6.047 11.216 3.586 1.00 0.00 H new ATOM 0 HG SER A 22 4.377 12.276 2.371 1.00 0.00 H new ATOM 390 N GLU A 23 8.614 11.958 4.210 1.00 0.00 N ATOM 391 CA GLU A 23 9.297 12.728 5.263 1.00 0.00 C ATOM 392 C GLU A 23 10.625 13.381 4.805 1.00 0.00 C ATOM 393 O GLU A 23 11.011 14.426 5.337 1.00 0.00 O ATOM 394 CB GLU A 23 9.542 11.824 6.486 1.00 0.00 C ATOM 395 CG GLU A 23 9.690 12.625 7.792 1.00 0.00 C ATOM 396 CD GLU A 23 10.754 12.018 8.727 1.00 0.00 C ATOM 397 OE1 GLU A 23 11.969 12.209 8.474 1.00 0.00 O ATOM 398 OE2 GLU A 23 10.386 11.375 9.740 1.00 0.00 O ATOM 0 H GLU A 23 8.470 10.979 4.456 1.00 0.00 H new ATOM 0 HA GLU A 23 8.634 13.553 5.523 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.714 11.122 6.586 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.443 11.233 6.322 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.960 13.655 7.557 1.00 0.00 H new ATOM 0 HG3 GLU A 23 8.730 12.657 8.308 1.00 0.00 H new ATOM 405 N ARG A 24 11.305 12.812 3.793 1.00 0.00 N ATOM 406 CA ARG A 24 12.582 13.321 3.246 1.00 0.00 C ATOM 407 C ARG A 24 12.438 14.000 1.879 1.00 0.00 C ATOM 408 O ARG A 24 13.098 15.008 1.628 1.00 0.00 O ATOM 409 CB ARG A 24 13.606 12.174 3.156 1.00 0.00 C ATOM 410 CG ARG A 24 14.079 11.685 4.535 1.00 0.00 C ATOM 411 CD ARG A 24 15.200 10.650 4.375 1.00 0.00 C ATOM 412 NE ARG A 24 15.764 10.248 5.679 1.00 0.00 N ATOM 413 CZ ARG A 24 16.813 9.468 5.876 1.00 0.00 C ATOM 414 NH1 ARG A 24 17.470 8.924 4.890 1.00 0.00 N ATOM 415 NH2 ARG A 24 17.232 9.217 7.084 1.00 0.00 N ATOM 0 H ARG A 24 10.978 11.969 3.321 1.00 0.00 H new ATOM 0 HA ARG A 24 12.930 14.089 3.937 1.00 0.00 H new ATOM 0 HB2 ARG A 24 13.163 11.340 2.613 1.00 0.00 H new ATOM 0 HB3 ARG A 24 14.468 12.508 2.579 1.00 0.00 H new ATOM 0 HG2 ARG A 24 14.435 12.529 5.126 1.00 0.00 H new ATOM 0 HG3 ARG A 24 13.243 11.245 5.079 1.00 0.00 H new ATOM 0 HD2 ARG A 24 14.813 9.771 3.860 1.00 0.00 H new ATOM 0 HD3 ARG A 24 15.990 11.064 3.749 1.00 0.00 H new ATOM 0 HE ARG A 24 15.297 10.608 6.511 1.00 0.00 H new ATOM 0 HH11 ARG A 24 17.179 9.095 3.927 1.00 0.00 H new ATOM 0 HH12 ARG A 24 18.275 8.327 5.081 1.00 0.00 H new ATOM 0 HH21 ARG A 24 16.750 9.623 7.886 1.00 0.00 H new ATOM 0 HH22 ARG A 24 18.042 8.614 7.228 1.00 0.00 H new ATOM 429 N VAL A 25 11.580 13.472 1.004 1.00 0.00 N ATOM 430 CA VAL A 25 11.328 13.986 -0.357 1.00 0.00 C ATOM 431 C VAL A 25 10.449 15.247 -0.331 1.00 0.00 C ATOM 432 O VAL A 25 10.677 16.176 -1.107 1.00 0.00 O ATOM 433 CB VAL A 25 10.706 12.882 -1.233 1.00 0.00 C ATOM 434 CG1 VAL A 25 10.343 13.364 -2.639 1.00 0.00 C ATOM 435 CG2 VAL A 25 11.667 11.693 -1.407 1.00 0.00 C ATOM 0 H VAL A 25 11.020 12.648 1.224 1.00 0.00 H new ATOM 0 HA VAL A 25 12.283 14.276 -0.796 1.00 0.00 H new ATOM 0 HB VAL A 25 9.801 12.586 -0.703 1.00 0.00 H new ATOM 0 HG11 VAL A 25 9.910 12.540 -3.206 1.00 0.00 H new ATOM 0 HG12 VAL A 25 9.620 14.177 -2.570 1.00 0.00 H new ATOM 0 HG13 VAL A 25 11.241 13.720 -3.145 1.00 0.00 H new ATOM 0 HG21 VAL A 25 11.196 10.933 -2.030 1.00 0.00 H new ATOM 0 HG22 VAL A 25 12.586 12.035 -1.883 1.00 0.00 H new ATOM 0 HG23 VAL A 25 11.901 11.268 -0.431 1.00 0.00 H new ATOM 445 N GLY A 26 9.478 15.316 0.587 1.00 0.00 N ATOM 446 CA GLY A 26 8.657 16.506 0.855 1.00 0.00 C ATOM 447 C GLY A 26 7.594 16.856 -0.200 1.00 0.00 C ATOM 448 O GLY A 26 6.985 17.923 -0.105 1.00 0.00 O ATOM 0 H GLY A 26 9.234 14.524 1.182 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.155 16.366 1.812 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.322 17.362 0.966 1.00 0.00 H new ATOM 452 N ASP A 27 7.360 16.005 -1.206 1.00 0.00 N ATOM 453 CA ASP A 27 6.380 16.267 -2.275 1.00 0.00 C ATOM 454 C ASP A 27 4.933 15.928 -1.846 1.00 0.00 C ATOM 455 O ASP A 27 4.699 14.860 -1.271 1.00 0.00 O ATOM 456 CB ASP A 27 6.742 15.470 -3.542 1.00 0.00 C ATOM 457 CG ASP A 27 7.887 16.086 -4.368 1.00 0.00 C ATOM 458 OD1 ASP A 27 8.056 17.331 -4.365 1.00 0.00 O ATOM 459 OD2 ASP A 27 8.582 15.327 -5.075 1.00 0.00 O ATOM 0 H ASP A 27 7.844 15.113 -1.305 1.00 0.00 H new ATOM 0 HA ASP A 27 6.421 17.336 -2.485 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.021 14.457 -3.253 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.857 15.389 -4.172 1.00 0.00 H new ATOM 464 N PRO A 28 3.934 16.777 -2.167 1.00 0.00 N ATOM 465 CA PRO A 28 2.545 16.568 -1.751 1.00 0.00 C ATOM 466 C PRO A 28 1.873 15.382 -2.461 1.00 0.00 C ATOM 467 O PRO A 28 1.075 14.668 -1.852 1.00 0.00 O ATOM 468 CB PRO A 28 1.828 17.892 -2.049 1.00 0.00 C ATOM 469 CG PRO A 28 2.638 18.499 -3.193 1.00 0.00 C ATOM 470 CD PRO A 28 4.063 18.035 -2.893 1.00 0.00 C ATOM 0 HA PRO A 28 2.496 16.305 -0.694 1.00 0.00 H new ATOM 0 HB2 PRO A 28 0.790 17.728 -2.338 1.00 0.00 H new ATOM 0 HB3 PRO A 28 1.817 18.545 -1.177 1.00 0.00 H new ATOM 0 HG2 PRO A 28 2.294 18.143 -4.164 1.00 0.00 H new ATOM 0 HG3 PRO A 28 2.563 19.586 -3.208 1.00 0.00 H new ATOM 0 HD2 PRO A 28 4.630 17.897 -3.814 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.597 18.776 -2.298 1.00 0.00 H new ATOM 478 N VAL A 29 2.217 15.116 -3.728 1.00 0.00 N ATOM 479 CA VAL A 29 1.695 13.955 -4.473 1.00 0.00 C ATOM 480 C VAL A 29 2.158 12.617 -3.876 1.00 0.00 C ATOM 481 O VAL A 29 1.442 11.624 -3.967 1.00 0.00 O ATOM 482 CB VAL A 29 2.000 14.085 -5.981 1.00 0.00 C ATOM 483 CG1 VAL A 29 3.472 13.848 -6.333 1.00 0.00 C ATOM 484 CG2 VAL A 29 1.133 13.148 -6.826 1.00 0.00 C ATOM 0 H VAL A 29 2.862 15.695 -4.266 1.00 0.00 H new ATOM 0 HA VAL A 29 0.610 13.954 -4.367 1.00 0.00 H new ATOM 0 HB VAL A 29 1.760 15.121 -6.218 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.611 13.956 -7.409 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.093 14.577 -5.812 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.761 12.842 -6.029 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.382 13.274 -7.880 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.318 12.115 -6.530 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.081 13.387 -6.671 1.00 0.00 H new ATOM 494 N LEU A 30 3.299 12.582 -3.175 1.00 0.00 N ATOM 495 CA LEU A 30 3.749 11.400 -2.433 1.00 0.00 C ATOM 496 C LEU A 30 2.788 11.058 -1.276 1.00 0.00 C ATOM 497 O LEU A 30 2.383 9.905 -1.118 1.00 0.00 O ATOM 498 CB LEU A 30 5.201 11.631 -1.959 1.00 0.00 C ATOM 499 CG LEU A 30 6.071 10.374 -2.104 1.00 0.00 C ATOM 500 CD1 LEU A 30 7.541 10.682 -1.829 1.00 0.00 C ATOM 501 CD2 LEU A 30 5.638 9.270 -1.150 1.00 0.00 C ATOM 0 H LEU A 30 3.937 13.375 -3.107 1.00 0.00 H new ATOM 0 HA LEU A 30 3.737 10.528 -3.087 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.643 12.444 -2.535 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.194 11.946 -0.916 1.00 0.00 H new ATOM 0 HG LEU A 30 5.944 10.037 -3.133 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.130 9.772 -1.940 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.894 11.432 -2.537 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.649 11.063 -0.813 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.280 8.399 -1.286 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.720 9.624 -0.122 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.604 8.995 -1.358 1.00 0.00 H new ATOM 513 N ALA A 31 2.329 12.068 -0.526 1.00 0.00 N ATOM 514 CA ALA A 31 1.291 11.897 0.495 1.00 0.00 C ATOM 515 C ALA A 31 -0.047 11.413 -0.104 1.00 0.00 C ATOM 516 O ALA A 31 -0.705 10.539 0.466 1.00 0.00 O ATOM 517 CB ALA A 31 1.129 13.211 1.271 1.00 0.00 C ATOM 0 H ALA A 31 2.668 13.026 -0.611 1.00 0.00 H new ATOM 0 HA ALA A 31 1.605 11.113 1.184 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.358 13.091 2.032 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.074 13.470 1.749 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.840 14.006 0.584 1.00 0.00 H new ATOM 523 N LYS A 32 -0.425 11.915 -1.290 1.00 0.00 N ATOM 524 CA LYS A 32 -1.606 11.442 -2.042 1.00 0.00 C ATOM 525 C LYS A 32 -1.489 9.983 -2.488 1.00 0.00 C ATOM 526 O LYS A 32 -2.501 9.285 -2.557 1.00 0.00 O ATOM 527 CB LYS A 32 -1.868 12.332 -3.268 1.00 0.00 C ATOM 528 CG LYS A 32 -2.183 13.786 -2.904 1.00 0.00 C ATOM 529 CD LYS A 32 -3.616 13.966 -2.378 1.00 0.00 C ATOM 530 CE LYS A 32 -3.871 15.426 -1.980 1.00 0.00 C ATOM 531 NZ LYS A 32 -5.274 15.633 -1.530 1.00 0.00 N ATOM 0 H LYS A 32 0.081 12.665 -1.760 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.446 11.507 -1.351 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.994 12.309 -3.919 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -2.700 11.919 -3.837 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.477 14.129 -2.148 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -2.040 14.416 -3.782 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.330 13.663 -3.144 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.777 13.316 -1.518 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.186 15.711 -1.181 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.660 16.077 -2.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.411 16.630 -1.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -5.926 15.384 -2.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -5.467 15.029 -0.705 1.00 0.00 H new ATOM 545 N ILE A 33 -0.275 9.493 -2.742 1.00 0.00 N ATOM 546 CA ILE A 33 -0.077 8.086 -3.114 1.00 0.00 C ATOM 547 C ILE A 33 -0.338 7.143 -1.941 1.00 0.00 C ATOM 548 O ILE A 33 -1.025 6.137 -2.121 1.00 0.00 O ATOM 549 CB ILE A 33 1.255 7.856 -3.839 1.00 0.00 C ATOM 550 CG1 ILE A 33 1.176 8.549 -5.217 1.00 0.00 C ATOM 551 CG2 ILE A 33 1.488 6.353 -4.067 1.00 0.00 C ATOM 552 CD1 ILE A 33 2.553 8.813 -5.809 1.00 0.00 C ATOM 0 H ILE A 33 0.583 10.043 -2.698 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.836 7.829 -3.853 1.00 0.00 H new ATOM 0 HB ILE A 33 2.070 8.258 -3.237 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.601 7.926 -5.902 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.639 9.492 -5.117 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.437 6.206 -4.582 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.513 5.839 -3.106 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.679 5.947 -4.674 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.445 9.301 -6.778 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.120 9.459 -5.138 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.082 7.868 -5.936 1.00 0.00 H new ATOM 564 N LEU A 34 0.092 7.491 -0.725 1.00 0.00 N ATOM 565 CA LEU A 34 -0.253 6.703 0.464 1.00 0.00 C ATOM 566 C LEU A 34 -1.779 6.684 0.733 1.00 0.00 C ATOM 567 O LEU A 34 -2.302 5.683 1.211 1.00 0.00 O ATOM 568 CB LEU A 34 0.655 7.111 1.650 1.00 0.00 C ATOM 569 CG LEU A 34 0.043 8.002 2.749 1.00 0.00 C ATOM 570 CD1 LEU A 34 -0.631 7.176 3.850 1.00 0.00 C ATOM 571 CD2 LEU A 34 1.141 8.826 3.426 1.00 0.00 C ATOM 0 H LEU A 34 0.675 8.307 -0.537 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.035 5.649 0.291 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.019 6.199 2.122 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.524 7.629 1.244 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.696 8.636 2.259 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.048 7.845 4.603 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.430 6.575 3.416 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.105 6.520 4.315 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.700 9.453 4.201 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.874 8.156 3.875 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.632 9.457 2.685 1.00 0.00 H new ATOM 583 N GLU A 35 -2.525 7.728 0.354 1.00 0.00 N ATOM 584 CA GLU A 35 -3.989 7.765 0.383 1.00 0.00 C ATOM 585 C GLU A 35 -4.649 6.840 -0.656 1.00 0.00 C ATOM 586 O GLU A 35 -5.639 6.173 -0.357 1.00 0.00 O ATOM 587 CB GLU A 35 -4.404 9.219 0.123 1.00 0.00 C ATOM 588 CG GLU A 35 -4.782 9.966 1.397 1.00 0.00 C ATOM 589 CD GLU A 35 -6.290 9.857 1.707 1.00 0.00 C ATOM 590 OE1 GLU A 35 -6.780 8.743 2.010 1.00 0.00 O ATOM 591 OE2 GLU A 35 -7.000 10.892 1.647 1.00 0.00 O ATOM 0 H GLU A 35 -2.113 8.595 0.009 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.327 7.403 1.354 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.585 9.743 -0.369 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.250 9.233 -0.564 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.210 9.566 2.234 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.508 11.016 1.296 1.00 0.00 H new ATOM 598 N ASP A 36 -4.107 6.765 -1.873 1.00 0.00 N ATOM 599 CA ASP A 36 -4.620 5.895 -2.929 1.00 0.00 C ATOM 600 C ASP A 36 -4.360 4.406 -2.641 1.00 0.00 C ATOM 601 O ASP A 36 -5.268 3.581 -2.751 1.00 0.00 O ATOM 602 CB ASP A 36 -3.950 6.297 -4.245 1.00 0.00 C ATOM 603 CG ASP A 36 -4.503 7.581 -4.888 1.00 0.00 C ATOM 604 OD1 ASP A 36 -5.605 8.061 -4.526 1.00 0.00 O ATOM 605 OD2 ASP A 36 -3.825 8.083 -5.814 1.00 0.00 O ATOM 0 H ASP A 36 -3.293 7.312 -2.154 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.701 6.019 -2.985 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.883 6.428 -4.067 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.057 5.477 -4.955 1.00 0.00 H new ATOM 610 N GLU A 37 -3.144 4.058 -2.206 1.00 0.00 N ATOM 611 CA GLU A 37 -2.800 2.704 -1.746 1.00 0.00 C ATOM 612 C GLU A 37 -3.572 2.295 -0.469 1.00 0.00 C ATOM 613 O GLU A 37 -3.568 1.122 -0.117 1.00 0.00 O ATOM 614 CB GLU A 37 -1.283 2.597 -1.488 1.00 0.00 C ATOM 615 CG GLU A 37 -0.336 2.915 -2.659 1.00 0.00 C ATOM 616 CD GLU A 37 -0.278 1.898 -3.802 1.00 0.00 C ATOM 617 OE1 GLU A 37 -1.081 0.939 -3.895 1.00 0.00 O ATOM 618 OE2 GLU A 37 0.531 2.082 -4.743 1.00 0.00 O ATOM 0 H GLU A 37 -2.363 4.712 -2.162 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.093 2.018 -2.541 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.035 3.266 -0.664 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.071 1.583 -1.150 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.626 3.879 -3.077 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.671 3.032 -2.258 1.00 0.00 H new ATOM 625 N GLU A 38 -4.252 3.212 0.237 1.00 0.00 N ATOM 626 CA GLU A 38 -5.063 2.884 1.423 1.00 0.00 C ATOM 627 C GLU A 38 -6.312 2.072 1.044 1.00 0.00 C ATOM 628 O GLU A 38 -6.534 0.980 1.577 1.00 0.00 O ATOM 629 CB GLU A 38 -5.453 4.182 2.155 1.00 0.00 C ATOM 630 CG GLU A 38 -5.835 3.995 3.632 1.00 0.00 C ATOM 631 CD GLU A 38 -7.249 3.420 3.851 1.00 0.00 C ATOM 632 OE1 GLU A 38 -8.224 3.946 3.262 1.00 0.00 O ATOM 633 OE2 GLU A 38 -7.396 2.476 4.666 1.00 0.00 O ATOM 0 H GLU A 38 -4.256 4.205 0.002 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.466 2.262 2.090 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.619 4.882 2.095 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.292 4.640 1.632 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.109 3.332 4.102 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.764 4.957 4.139 1.00 0.00 H new ATOM 640 N LYS A 39 -7.092 2.557 0.063 1.00 0.00 N ATOM 641 CA LYS A 39 -8.279 1.843 -0.449 1.00 0.00 C ATOM 642 C LYS A 39 -7.911 0.482 -1.039 1.00 0.00 C ATOM 643 O LYS A 39 -8.642 -0.490 -0.854 1.00 0.00 O ATOM 644 CB LYS A 39 -9.041 2.679 -1.494 1.00 0.00 C ATOM 645 CG LYS A 39 -10.005 3.711 -0.892 1.00 0.00 C ATOM 646 CD LYS A 39 -9.313 4.983 -0.380 1.00 0.00 C ATOM 647 CE LYS A 39 -10.352 5.930 0.232 1.00 0.00 C ATOM 648 NZ LYS A 39 -9.729 7.202 0.685 1.00 0.00 N ATOM 0 H LYS A 39 -6.920 3.451 -0.397 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.934 1.681 0.407 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -8.319 3.197 -2.125 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -9.604 2.006 -2.141 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -10.742 3.988 -1.646 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -10.549 3.249 -0.069 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.561 4.724 0.365 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.793 5.480 -1.199 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -11.128 6.145 -0.503 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.839 5.441 1.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.459 7.820 1.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.006 6.998 1.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.286 7.679 -0.126 1.00 0.00 H new ATOM 662 N HIS A 40 -6.742 0.391 -1.681 1.00 0.00 N ATOM 663 CA HIS A 40 -6.213 -0.835 -2.269 1.00 0.00 C ATOM 664 C HIS A 40 -6.050 -1.995 -1.273 1.00 0.00 C ATOM 665 O HIS A 40 -6.042 -3.128 -1.732 1.00 0.00 O ATOM 666 CB HIS A 40 -4.848 -0.551 -2.908 1.00 0.00 C ATOM 667 CG HIS A 40 -4.777 0.307 -4.145 1.00 0.00 C ATOM 668 ND1 HIS A 40 -3.628 0.430 -4.947 1.00 0.00 N ATOM 669 CD2 HIS A 40 -5.764 1.100 -4.650 1.00 0.00 C ATOM 670 CE1 HIS A 40 -3.967 1.327 -5.903 1.00 0.00 C ATOM 671 NE2 HIS A 40 -5.238 1.731 -5.750 1.00 0.00 N ATOM 0 H HIS A 40 -6.124 1.192 -1.807 1.00 0.00 H new ATOM 0 HA HIS A 40 -6.950 -1.151 -3.007 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -4.222 -0.083 -2.148 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -4.393 -1.512 -3.149 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -2.736 -0.051 -4.833 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -6.765 1.210 -4.260 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -3.304 1.671 -6.683 1.00 0.00 H new ATOM 679 N ILE A 41 -5.940 -1.743 0.042 1.00 0.00 N ATOM 680 CA ILE A 41 -5.727 -2.737 1.117 1.00 0.00 C ATOM 681 C ILE A 41 -7.065 -3.210 1.708 1.00 0.00 C ATOM 682 O ILE A 41 -7.245 -4.407 1.928 1.00 0.00 O ATOM 683 CB ILE A 41 -4.871 -2.130 2.263 1.00 0.00 C ATOM 684 CG1 ILE A 41 -3.445 -1.727 1.836 1.00 0.00 C ATOM 685 CG2 ILE A 41 -4.785 -3.057 3.491 1.00 0.00 C ATOM 686 CD1 ILE A 41 -2.512 -2.871 1.430 1.00 0.00 C ATOM 0 H ILE A 41 -6.000 -0.792 0.407 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.206 -3.585 0.673 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.406 -1.220 2.534 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.521 -1.034 0.998 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.982 -1.183 2.659 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.176 -2.585 4.261 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.787 -3.238 3.881 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.332 -4.005 3.200 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.540 -2.466 1.151 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.392 -3.557 2.268 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.940 -3.406 0.582 1.00 0.00 H new ATOM 698 N GLU A 42 -8.029 -2.311 1.943 1.00 0.00 N ATOM 699 CA GLU A 42 -9.382 -2.720 2.363 1.00 0.00 C ATOM 700 C GLU A 42 -10.042 -3.588 1.285 1.00 0.00 C ATOM 701 O GLU A 42 -10.603 -4.647 1.577 1.00 0.00 O ATOM 702 CB GLU A 42 -10.281 -1.509 2.657 1.00 0.00 C ATOM 703 CG GLU A 42 -9.865 -0.742 3.917 1.00 0.00 C ATOM 704 CD GLU A 42 -11.001 0.185 4.401 1.00 0.00 C ATOM 705 OE1 GLU A 42 -11.409 1.109 3.652 1.00 0.00 O ATOM 706 OE2 GLU A 42 -11.511 -0.015 5.528 1.00 0.00 O ATOM 0 H GLU A 42 -7.903 -1.303 1.851 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.269 -3.296 3.282 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.259 -0.832 1.803 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.311 -1.848 2.769 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.605 -1.447 4.707 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.973 -0.152 3.710 1.00 0.00 H new ATOM 713 N TRP A 43 -9.906 -3.177 0.021 1.00 0.00 N ATOM 714 CA TRP A 43 -10.318 -3.971 -1.131 1.00 0.00 C ATOM 715 C TRP A 43 -9.486 -5.255 -1.294 1.00 0.00 C ATOM 716 O TRP A 43 -10.047 -6.277 -1.689 1.00 0.00 O ATOM 717 CB TRP A 43 -10.279 -3.084 -2.380 1.00 0.00 C ATOM 718 CG TRP A 43 -11.209 -1.896 -2.387 1.00 0.00 C ATOM 719 CD1 TRP A 43 -12.383 -1.792 -1.715 1.00 0.00 C ATOM 720 CD2 TRP A 43 -11.081 -0.641 -3.131 1.00 0.00 C ATOM 721 NE1 TRP A 43 -12.981 -0.577 -1.995 1.00 0.00 N ATOM 722 CE2 TRP A 43 -12.245 0.154 -2.898 1.00 0.00 C ATOM 723 CE3 TRP A 43 -10.110 -0.098 -3.999 1.00 0.00 C ATOM 724 CZ2 TRP A 43 -12.452 1.393 -3.525 1.00 0.00 C ATOM 725 CZ3 TRP A 43 -10.309 1.138 -4.647 1.00 0.00 C ATOM 726 CH2 TRP A 43 -11.483 1.880 -4.416 1.00 0.00 C ATOM 0 H TRP A 43 -9.502 -2.274 -0.230 1.00 0.00 H new ATOM 0 HA TRP A 43 -11.339 -4.318 -0.973 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.259 -2.721 -2.510 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -10.509 -3.704 -3.247 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -12.790 -2.547 -1.058 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -13.859 -0.262 -1.583 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -9.193 -0.642 -4.171 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -13.346 1.965 -3.324 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -9.558 1.517 -5.324 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -11.637 2.821 -4.923 1.00 0.00 H new ATOM 737 N LEU A 44 -8.195 -5.257 -0.919 1.00 0.00 N ATOM 738 CA LEU A 44 -7.357 -6.470 -0.874 1.00 0.00 C ATOM 739 C LEU A 44 -7.973 -7.549 0.024 1.00 0.00 C ATOM 740 O LEU A 44 -8.278 -8.651 -0.422 1.00 0.00 O ATOM 741 CB LEU A 44 -5.964 -6.091 -0.334 1.00 0.00 C ATOM 742 CG LEU A 44 -4.762 -6.795 -0.946 1.00 0.00 C ATOM 743 CD1 LEU A 44 -3.490 -6.220 -0.351 1.00 0.00 C ATOM 744 CD2 LEU A 44 -4.803 -8.310 -0.798 1.00 0.00 C ATOM 0 H LEU A 44 -7.699 -4.411 -0.636 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.283 -6.876 -1.883 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.831 -5.018 -0.469 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.955 -6.281 0.739 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.788 -6.610 -2.020 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.626 -6.721 -0.786 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.437 -5.153 -0.567 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.492 -6.372 0.728 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.915 -8.745 -1.257 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.830 -8.572 0.260 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.694 -8.700 -1.291 1.00 0.00 H new ATOM 756 N GLU A 45 -8.183 -7.203 1.293 1.00 0.00 N ATOM 757 CA GLU A 45 -8.717 -8.097 2.325 1.00 0.00 C ATOM 758 C GLU A 45 -10.139 -8.566 1.979 1.00 0.00 C ATOM 759 O GLU A 45 -10.454 -9.750 2.111 1.00 0.00 O ATOM 760 CB GLU A 45 -8.659 -7.369 3.680 1.00 0.00 C ATOM 761 CG GLU A 45 -8.585 -8.304 4.898 1.00 0.00 C ATOM 762 CD GLU A 45 -9.908 -9.020 5.243 1.00 0.00 C ATOM 763 OE1 GLU A 45 -10.971 -8.357 5.311 1.00 0.00 O ATOM 764 OE2 GLU A 45 -9.877 -10.245 5.516 1.00 0.00 O ATOM 0 H GLU A 45 -7.981 -6.267 1.644 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.109 -9.000 2.382 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.790 -6.711 3.689 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.540 -6.735 3.777 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.818 -9.056 4.715 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.264 -7.725 5.764 1.00 0.00 H new ATOM 771 N THR A 46 -10.968 -7.661 1.441 1.00 0.00 N ATOM 772 CA THR A 46 -12.316 -7.978 0.937 1.00 0.00 C ATOM 773 C THR A 46 -12.291 -9.028 -0.180 1.00 0.00 C ATOM 774 O THR A 46 -13.092 -9.966 -0.160 1.00 0.00 O ATOM 775 CB THR A 46 -13.041 -6.710 0.451 1.00 0.00 C ATOM 776 OG1 THR A 46 -13.150 -5.766 1.495 1.00 0.00 O ATOM 777 CG2 THR A 46 -14.469 -6.975 -0.030 1.00 0.00 C ATOM 0 H THR A 46 -10.721 -6.676 1.341 1.00 0.00 H new ATOM 0 HA THR A 46 -12.866 -8.402 1.777 1.00 0.00 H new ATOM 0 HB THR A 46 -12.437 -6.342 -0.378 1.00 0.00 H new ATOM 0 HG1 THR A 46 -12.292 -5.307 1.612 1.00 0.00 H new ATOM 0 HG21 THR A 46 -14.922 -6.039 -0.358 1.00 0.00 H new ATOM 0 HG22 THR A 46 -14.448 -7.679 -0.862 1.00 0.00 H new ATOM 0 HG23 THR A 46 -15.056 -7.395 0.787 1.00 0.00 H new ATOM 785 N ILE A 47 -11.363 -8.913 -1.141 1.00 0.00 N ATOM 786 CA ILE A 47 -11.305 -9.783 -2.331 1.00 0.00 C ATOM 787 C ILE A 47 -10.488 -11.075 -2.139 1.00 0.00 C ATOM 788 O ILE A 47 -10.538 -11.989 -2.964 1.00 0.00 O ATOM 789 CB ILE A 47 -10.920 -8.939 -3.576 1.00 0.00 C ATOM 790 CG1 ILE A 47 -11.797 -9.257 -4.804 1.00 0.00 C ATOM 791 CG2 ILE A 47 -9.434 -9.041 -3.951 1.00 0.00 C ATOM 792 CD1 ILE A 47 -13.233 -8.735 -4.647 1.00 0.00 C ATOM 0 H ILE A 47 -10.625 -8.209 -1.117 1.00 0.00 H new ATOM 0 HA ILE A 47 -12.304 -10.182 -2.506 1.00 0.00 H new ATOM 0 HB ILE A 47 -11.110 -7.909 -3.275 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -11.347 -8.815 -5.693 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.820 -10.335 -4.961 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -9.237 -8.426 -4.829 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.824 -8.690 -3.119 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.185 -10.079 -4.172 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -13.810 -8.984 -5.538 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -13.695 -9.197 -3.774 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -13.215 -7.653 -4.517 1.00 0.00 H new ATOM 804 N ASN A 48 -9.799 -11.180 -1.004 1.00 0.00 N ATOM 805 CA ASN A 48 -9.074 -12.372 -0.532 1.00 0.00 C ATOM 806 C ASN A 48 -10.011 -13.473 0.032 1.00 0.00 C ATOM 807 O ASN A 48 -9.598 -14.622 0.209 1.00 0.00 O ATOM 808 CB ASN A 48 -8.016 -11.898 0.490 1.00 0.00 C ATOM 809 CG ASN A 48 -6.889 -12.877 0.797 1.00 0.00 C ATOM 810 OD1 ASN A 48 -6.729 -13.937 0.212 1.00 0.00 O ATOM 811 ND2 ASN A 48 -6.019 -12.520 1.716 1.00 0.00 N ATOM 0 H ASN A 48 -9.724 -10.400 -0.351 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.582 -12.858 -1.374 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -7.574 -10.972 0.121 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.525 -11.658 1.424 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -5.226 -13.125 1.930 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -6.137 -11.638 2.215 1.00 0.00 H new ATOM 858 N TYR B 3 15.859 6.161 -3.406 1.00 0.00 N ATOM 859 CA TYR B 3 14.672 5.956 -2.547 1.00 0.00 C ATOM 860 C TYR B 3 13.432 5.622 -3.390 1.00 0.00 C ATOM 861 O TYR B 3 12.834 4.555 -3.231 1.00 0.00 O ATOM 862 CB TYR B 3 14.465 7.218 -1.681 1.00 0.00 C ATOM 863 CG TYR B 3 13.844 7.033 -0.302 1.00 0.00 C ATOM 864 CD1 TYR B 3 12.910 6.011 -0.022 1.00 0.00 C ATOM 865 CD2 TYR B 3 14.230 7.919 0.725 1.00 0.00 C ATOM 866 CE1 TYR B 3 12.400 5.858 1.283 1.00 0.00 C ATOM 867 CE2 TYR B 3 13.722 7.771 2.028 1.00 0.00 C ATOM 868 CZ TYR B 3 12.814 6.728 2.312 1.00 0.00 C ATOM 869 OH TYR B 3 12.356 6.551 3.578 1.00 0.00 O ATOM 0 HA TYR B 3 14.833 5.102 -1.889 1.00 0.00 H new ATOM 0 HB2 TYR B 3 15.434 7.699 -1.551 1.00 0.00 H new ATOM 0 HB3 TYR B 3 13.838 7.911 -2.242 1.00 0.00 H new ATOM 0 HD1 TYR B 3 12.586 5.346 -0.809 1.00 0.00 H new ATOM 0 HD2 TYR B 3 14.923 8.719 0.509 1.00 0.00 H new ATOM 0 HE1 TYR B 3 11.690 5.072 1.495 1.00 0.00 H new ATOM 0 HE2 TYR B 3 14.025 8.453 2.809 1.00 0.00 H new ATOM 0 HH TYR B 3 12.909 7.068 4.201 1.00 0.00 H new ATOM 879 N LEU B 4 13.121 6.463 -4.386 1.00 0.00 N ATOM 880 CA LEU B 4 12.153 6.192 -5.442 1.00 0.00 C ATOM 881 C LEU B 4 12.432 4.892 -6.219 1.00 0.00 C ATOM 882 O LEU B 4 11.502 4.289 -6.737 1.00 0.00 O ATOM 883 CB LEU B 4 12.076 7.432 -6.346 1.00 0.00 C ATOM 884 CG LEU B 4 13.370 7.767 -7.109 1.00 0.00 C ATOM 885 CD1 LEU B 4 13.131 7.916 -8.609 1.00 0.00 C ATOM 886 CD2 LEU B 4 14.003 9.060 -6.592 1.00 0.00 C ATOM 0 H LEU B 4 13.555 7.381 -4.476 1.00 0.00 H new ATOM 0 HA LEU B 4 11.178 6.010 -4.990 1.00 0.00 H new ATOM 0 HB2 LEU B 4 11.274 7.285 -7.069 1.00 0.00 H new ATOM 0 HB3 LEU B 4 11.801 8.291 -5.735 1.00 0.00 H new ATOM 0 HG LEU B 4 14.045 6.928 -6.937 1.00 0.00 H new ATOM 0 HD11 LEU B 4 14.072 8.152 -9.106 1.00 0.00 H new ATOM 0 HD12 LEU B 4 12.734 6.983 -9.009 1.00 0.00 H new ATOM 0 HD13 LEU B 4 12.416 8.720 -8.785 1.00 0.00 H new ATOM 0 HD21 LEU B 4 14.915 9.268 -7.152 1.00 0.00 H new ATOM 0 HD22 LEU B 4 13.302 9.885 -6.721 1.00 0.00 H new ATOM 0 HD23 LEU B 4 14.244 8.950 -5.535 1.00 0.00 H new ATOM 898 N ARG B 5 13.687 4.423 -6.275 1.00 0.00 N ATOM 899 CA ARG B 5 14.083 3.207 -7.007 1.00 0.00 C ATOM 900 C ARG B 5 13.557 1.944 -6.330 1.00 0.00 C ATOM 901 O ARG B 5 12.911 1.145 -6.997 1.00 0.00 O ATOM 902 CB ARG B 5 15.621 3.208 -7.156 1.00 0.00 C ATOM 903 CG ARG B 5 16.189 2.443 -8.364 1.00 0.00 C ATOM 904 CD ARG B 5 15.945 0.933 -8.343 1.00 0.00 C ATOM 905 NE ARG B 5 16.735 0.260 -9.397 1.00 0.00 N ATOM 906 CZ ARG B 5 17.382 -0.890 -9.312 1.00 0.00 C ATOM 907 NH1 ARG B 5 17.350 -1.636 -8.243 1.00 0.00 N ATOM 908 NH2 ARG B 5 18.084 -1.321 -10.320 1.00 0.00 N ATOM 0 H ARG B 5 14.468 4.883 -5.807 1.00 0.00 H new ATOM 0 HA ARG B 5 13.633 3.209 -8.000 1.00 0.00 H new ATOM 0 HB2 ARG B 5 15.958 4.243 -7.217 1.00 0.00 H new ATOM 0 HB3 ARG B 5 16.053 2.785 -6.249 1.00 0.00 H new ATOM 0 HG2 ARG B 5 15.752 2.854 -9.274 1.00 0.00 H new ATOM 0 HG3 ARG B 5 17.263 2.622 -8.417 1.00 0.00 H new ATOM 0 HD2 ARG B 5 16.214 0.530 -7.367 1.00 0.00 H new ATOM 0 HD3 ARG B 5 14.884 0.729 -8.491 1.00 0.00 H new ATOM 0 HE ARG B 5 16.787 0.740 -10.296 1.00 0.00 H new ATOM 0 HH11 ARG B 5 16.811 -1.339 -7.430 1.00 0.00 H new ATOM 0 HH12 ARG B 5 17.864 -2.517 -8.220 1.00 0.00 H new ATOM 0 HH21 ARG B 5 18.136 -0.771 -11.178 1.00 0.00 H new ATOM 0 HH22 ARG B 5 18.582 -2.208 -10.252 1.00 0.00 H new ATOM 922 N GLU B 6 13.736 1.784 -5.017 1.00 0.00 N ATOM 923 CA GLU B 6 13.096 0.723 -4.247 1.00 0.00 C ATOM 924 C GLU B 6 11.577 0.727 -4.443 1.00 0.00 C ATOM 925 O GLU B 6 10.963 -0.327 -4.602 1.00 0.00 O ATOM 926 CB GLU B 6 13.434 0.925 -2.758 1.00 0.00 C ATOM 927 CG GLU B 6 14.422 -0.118 -2.230 1.00 0.00 C ATOM 928 CD GLU B 6 14.155 -0.443 -0.746 1.00 0.00 C ATOM 929 OE1 GLU B 6 14.635 0.301 0.143 1.00 0.00 O ATOM 930 OE2 GLU B 6 13.468 -1.455 -0.460 1.00 0.00 O ATOM 0 H GLU B 6 14.334 2.393 -4.457 1.00 0.00 H new ATOM 0 HA GLU B 6 13.469 -0.240 -4.595 1.00 0.00 H new ATOM 0 HB2 GLU B 6 13.853 1.921 -2.617 1.00 0.00 H new ATOM 0 HB3 GLU B 6 12.516 0.880 -2.172 1.00 0.00 H new ATOM 0 HG2 GLU B 6 14.344 -1.029 -2.824 1.00 0.00 H new ATOM 0 HG3 GLU B 6 15.441 0.252 -2.346 1.00 0.00 H new ATOM 937 N LEU B 7 10.981 1.921 -4.483 1.00 0.00 N ATOM 938 CA LEU B 7 9.560 2.119 -4.660 1.00 0.00 C ATOM 939 C LEU B 7 9.065 1.673 -6.054 1.00 0.00 C ATOM 940 O LEU B 7 8.147 0.865 -6.150 1.00 0.00 O ATOM 941 CB LEU B 7 9.284 3.610 -4.418 1.00 0.00 C ATOM 942 CG LEU B 7 8.202 3.875 -3.381 1.00 0.00 C ATOM 943 CD1 LEU B 7 8.674 3.578 -1.959 1.00 0.00 C ATOM 944 CD2 LEU B 7 7.798 5.347 -3.447 1.00 0.00 C ATOM 0 H LEU B 7 11.498 2.795 -4.389 1.00 0.00 H new ATOM 0 HA LEU B 7 9.011 1.498 -3.952 1.00 0.00 H new ATOM 0 HB2 LEU B 7 10.207 4.093 -4.098 1.00 0.00 H new ATOM 0 HB3 LEU B 7 8.992 4.073 -5.360 1.00 0.00 H new ATOM 0 HG LEU B 7 7.365 3.216 -3.610 1.00 0.00 H new ATOM 0 HD11 LEU B 7 7.866 3.783 -1.257 1.00 0.00 H new ATOM 0 HD12 LEU B 7 8.963 2.530 -1.883 1.00 0.00 H new ATOM 0 HD13 LEU B 7 9.530 4.209 -1.721 1.00 0.00 H new ATOM 0 HD21 LEU B 7 7.023 5.545 -2.707 1.00 0.00 H new ATOM 0 HD22 LEU B 7 8.666 5.972 -3.239 1.00 0.00 H new ATOM 0 HD23 LEU B 7 7.416 5.575 -4.442 1.00 0.00 H new ATOM 956 N TYR B 8 9.698 2.139 -7.139 1.00 0.00 N ATOM 957 CA TYR B 8 9.542 1.647 -8.519 1.00 0.00 C ATOM 958 C TYR B 8 9.601 0.121 -8.611 1.00 0.00 C ATOM 959 O TYR B 8 8.708 -0.516 -9.172 1.00 0.00 O ATOM 960 CB TYR B 8 10.636 2.298 -9.386 1.00 0.00 C ATOM 961 CG TYR B 8 10.242 2.697 -10.801 1.00 0.00 C ATOM 962 CD1 TYR B 8 9.644 1.773 -11.683 1.00 0.00 C ATOM 963 CD2 TYR B 8 10.488 4.015 -11.239 1.00 0.00 C ATOM 964 CE1 TYR B 8 9.291 2.167 -12.991 1.00 0.00 C ATOM 965 CE2 TYR B 8 10.134 4.414 -12.542 1.00 0.00 C ATOM 966 CZ TYR B 8 9.539 3.489 -13.425 1.00 0.00 C ATOM 967 OH TYR B 8 9.218 3.876 -14.690 1.00 0.00 O ATOM 0 H TYR B 8 10.366 2.907 -7.078 1.00 0.00 H new ATOM 0 HA TYR B 8 8.553 1.926 -8.882 1.00 0.00 H new ATOM 0 HB2 TYR B 8 10.994 3.188 -8.869 1.00 0.00 H new ATOM 0 HB3 TYR B 8 11.476 1.606 -9.449 1.00 0.00 H new ATOM 0 HD1 TYR B 8 9.456 0.761 -11.356 1.00 0.00 H new ATOM 0 HD2 TYR B 8 10.952 4.724 -10.569 1.00 0.00 H new ATOM 0 HE1 TYR B 8 8.830 1.457 -13.662 1.00 0.00 H new ATOM 0 HE2 TYR B 8 10.318 5.428 -12.865 1.00 0.00 H new ATOM 0 HH TYR B 8 9.457 4.818 -14.815 1.00 0.00 H new ATOM 977 N LYS B 9 10.625 -0.464 -7.987 1.00 0.00 N ATOM 978 CA LYS B 9 10.846 -1.921 -7.913 1.00 0.00 C ATOM 979 C LYS B 9 9.907 -2.663 -6.944 1.00 0.00 C ATOM 980 O LYS B 9 10.007 -3.883 -6.819 1.00 0.00 O ATOM 981 CB LYS B 9 12.335 -2.214 -7.641 1.00 0.00 C ATOM 982 CG LYS B 9 13.295 -1.583 -8.671 1.00 0.00 C ATOM 983 CD LYS B 9 13.193 -2.094 -10.111 1.00 0.00 C ATOM 984 CE LYS B 9 13.844 -3.476 -10.261 1.00 0.00 C ATOM 985 NZ LYS B 9 13.891 -3.912 -11.682 1.00 0.00 N ATOM 0 H LYS B 9 11.346 0.071 -7.504 1.00 0.00 H new ATOM 0 HA LYS B 9 10.580 -2.328 -8.888 1.00 0.00 H new ATOM 0 HB2 LYS B 9 12.592 -1.847 -6.647 1.00 0.00 H new ATOM 0 HB3 LYS B 9 12.487 -3.293 -7.631 1.00 0.00 H new ATOM 0 HG2 LYS B 9 13.125 -0.506 -8.679 1.00 0.00 H new ATOM 0 HG3 LYS B 9 14.317 -1.742 -8.325 1.00 0.00 H new ATOM 0 HD2 LYS B 9 12.145 -2.150 -10.406 1.00 0.00 H new ATOM 0 HD3 LYS B 9 13.677 -1.387 -10.785 1.00 0.00 H new ATOM 0 HE2 LYS B 9 14.855 -3.447 -9.856 1.00 0.00 H new ATOM 0 HE3 LYS B 9 13.286 -4.206 -9.675 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 14.337 -4.849 -11.743 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 12.924 -3.964 -12.061 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 14.445 -3.228 -12.237 1.00 0.00 H new ATOM 999 N LEU B 10 8.947 -1.958 -6.342 1.00 0.00 N ATOM 1000 CA LEU B 10 7.756 -2.520 -5.692 1.00 0.00 C ATOM 1001 C LEU B 10 6.483 -2.260 -6.516 1.00 0.00 C ATOM 1002 O LEU B 10 5.676 -3.168 -6.674 1.00 0.00 O ATOM 1003 CB LEU B 10 7.618 -1.935 -4.271 1.00 0.00 C ATOM 1004 CG LEU B 10 8.633 -2.484 -3.252 1.00 0.00 C ATOM 1005 CD1 LEU B 10 8.610 -1.621 -1.988 1.00 0.00 C ATOM 1006 CD2 LEU B 10 8.314 -3.925 -2.843 1.00 0.00 C ATOM 0 H LEU B 10 8.977 -0.940 -6.291 1.00 0.00 H new ATOM 0 HA LEU B 10 7.879 -3.601 -5.626 1.00 0.00 H new ATOM 0 HB2 LEU B 10 7.727 -0.852 -4.326 1.00 0.00 H new ATOM 0 HB3 LEU B 10 6.611 -2.136 -3.906 1.00 0.00 H new ATOM 0 HG LEU B 10 9.612 -2.461 -3.730 1.00 0.00 H new ATOM 0 HD11 LEU B 10 9.329 -2.011 -1.268 1.00 0.00 H new ATOM 0 HD12 LEU B 10 8.873 -0.594 -2.243 1.00 0.00 H new ATOM 0 HD13 LEU B 10 7.612 -1.642 -1.551 1.00 0.00 H new ATOM 0 HD21 LEU B 10 9.056 -4.272 -2.123 1.00 0.00 H new ATOM 0 HD22 LEU B 10 7.323 -3.964 -2.390 1.00 0.00 H new ATOM 0 HD23 LEU B 10 8.336 -4.567 -3.724 1.00 0.00 H new ATOM 1018 N GLU B 11 6.304 -1.070 -7.094 1.00 0.00 N ATOM 1019 CA GLU B 11 5.106 -0.686 -7.859 1.00 0.00 C ATOM 1020 C GLU B 11 4.963 -1.426 -9.202 1.00 0.00 C ATOM 1021 O GLU B 11 3.887 -1.945 -9.502 1.00 0.00 O ATOM 1022 CB GLU B 11 5.133 0.828 -8.117 1.00 0.00 C ATOM 1023 CG GLU B 11 4.840 1.672 -6.871 1.00 0.00 C ATOM 1024 CD GLU B 11 3.334 1.879 -6.676 1.00 0.00 C ATOM 1025 OE1 GLU B 11 2.654 2.760 -7.232 1.00 0.00 O ATOM 1026 OE2 GLU B 11 2.596 1.286 -5.870 1.00 0.00 O ATOM 0 H GLU B 11 7.001 -0.327 -7.045 1.00 0.00 H new ATOM 0 HA GLU B 11 4.246 -0.971 -7.253 1.00 0.00 H new ATOM 0 HB2 GLU B 11 6.112 1.103 -8.509 1.00 0.00 H new ATOM 0 HB3 GLU B 11 4.402 1.069 -8.888 1.00 0.00 H new ATOM 0 HG2 GLU B 11 5.258 1.182 -5.992 1.00 0.00 H new ATOM 0 HG3 GLU B 11 5.333 2.640 -6.961 1.00 0.00 H new ATOM 1033 N GLN B 12 6.028 -1.530 -10.008 1.00 0.00 N ATOM 1034 CA GLN B 12 6.008 -2.317 -11.245 1.00 0.00 C ATOM 1035 C GLN B 12 5.913 -3.828 -10.954 1.00 0.00 C ATOM 1036 O GLN B 12 5.193 -4.556 -11.639 1.00 0.00 O ATOM 1037 CB GLN B 12 7.246 -1.960 -12.081 1.00 0.00 C ATOM 1038 CG GLN B 12 6.870 -1.178 -13.347 1.00 0.00 C ATOM 1039 CD GLN B 12 6.229 -2.014 -14.460 1.00 0.00 C ATOM 1040 OE1 GLN B 12 6.259 -3.238 -14.482 1.00 0.00 O ATOM 1041 NE2 GLN B 12 5.627 -1.384 -15.448 1.00 0.00 N ATOM 0 H GLN B 12 6.921 -1.074 -9.822 1.00 0.00 H new ATOM 0 HA GLN B 12 5.116 -2.069 -11.820 1.00 0.00 H new ATOM 0 HB2 GLN B 12 7.934 -1.367 -11.478 1.00 0.00 H new ATOM 0 HB3 GLN B 12 7.772 -2.873 -12.360 1.00 0.00 H new ATOM 0 HG2 GLN B 12 6.181 -0.379 -13.071 1.00 0.00 H new ATOM 0 HG3 GLN B 12 7.768 -0.703 -13.742 1.00 0.00 H new ATOM 0 HE21 GLN B 12 5.588 -0.365 -15.454 1.00 0.00 H new ATOM 0 HE22 GLN B 12 5.200 -1.915 -16.207 1.00 0.00 H new ATOM 1050 N GLN B 13 6.565 -4.285 -9.878 1.00 0.00 N ATOM 1051 CA GLN B 13 6.429 -5.641 -9.336 1.00 0.00 C ATOM 1052 C GLN B 13 4.971 -5.965 -8.963 1.00 0.00 C ATOM 1053 O GLN B 13 4.435 -6.990 -9.385 1.00 0.00 O ATOM 1054 CB GLN B 13 7.375 -5.798 -8.144 1.00 0.00 C ATOM 1055 CG GLN B 13 8.626 -6.632 -8.465 1.00 0.00 C ATOM 1056 CD GLN B 13 8.357 -8.127 -8.676 1.00 0.00 C ATOM 1057 OE1 GLN B 13 7.306 -8.667 -8.359 1.00 0.00 O ATOM 1058 NE2 GLN B 13 9.304 -8.859 -9.223 1.00 0.00 N ATOM 0 H GLN B 13 7.217 -3.707 -9.348 1.00 0.00 H new ATOM 0 HA GLN B 13 6.707 -6.362 -10.105 1.00 0.00 H new ATOM 0 HB2 GLN B 13 7.684 -4.810 -7.802 1.00 0.00 H new ATOM 0 HB3 GLN B 13 6.836 -6.267 -7.321 1.00 0.00 H new ATOM 0 HG2 GLN B 13 9.095 -6.230 -9.363 1.00 0.00 H new ATOM 0 HG3 GLN B 13 9.343 -6.516 -7.652 1.00 0.00 H new ATOM 0 HE21 GLN B 13 10.188 -8.429 -9.495 1.00 0.00 H new ATOM 0 HE22 GLN B 13 9.154 -9.856 -9.375 1.00 0.00 H new ATOM 1067 N ALA B 14 4.303 -5.051 -8.249 1.00 0.00 N ATOM 1068 CA ALA B 14 2.882 -5.138 -7.925 1.00 0.00 C ATOM 1069 C ALA B 14 2.026 -5.225 -9.189 1.00 0.00 C ATOM 1070 O ALA B 14 1.212 -6.136 -9.310 1.00 0.00 O ATOM 1071 CB ALA B 14 2.468 -3.920 -7.085 1.00 0.00 C ATOM 0 H ALA B 14 4.749 -4.214 -7.874 1.00 0.00 H new ATOM 0 HA ALA B 14 2.717 -6.049 -7.350 1.00 0.00 H new ATOM 0 HB1 ALA B 14 1.407 -3.987 -6.845 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.048 -3.900 -6.163 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.654 -3.007 -7.651 1.00 0.00 H new ATOM 1077 N MET B 15 2.228 -4.315 -10.148 1.00 0.00 N ATOM 1078 CA MET B 15 1.450 -4.251 -11.389 1.00 0.00 C ATOM 1079 C MET B 15 1.480 -5.560 -12.184 1.00 0.00 C ATOM 1080 O MET B 15 0.441 -5.995 -12.683 1.00 0.00 O ATOM 1081 CB MET B 15 1.947 -3.070 -12.236 1.00 0.00 C ATOM 1082 CG MET B 15 1.092 -2.842 -13.491 1.00 0.00 C ATOM 1083 SD MET B 15 0.445 -1.161 -13.660 1.00 0.00 S ATOM 1084 CE MET B 15 -0.803 -1.192 -12.345 1.00 0.00 C ATOM 0 H MET B 15 2.946 -3.593 -10.083 1.00 0.00 H new ATOM 0 HA MET B 15 0.405 -4.096 -11.121 1.00 0.00 H new ATOM 0 HB2 MET B 15 1.943 -2.165 -11.629 1.00 0.00 H new ATOM 0 HB3 MET B 15 2.980 -3.250 -12.533 1.00 0.00 H new ATOM 0 HG2 MET B 15 1.690 -3.078 -14.371 1.00 0.00 H new ATOM 0 HG3 MET B 15 0.255 -3.541 -13.478 1.00 0.00 H new ATOM 0 HE1 MET B 15 -1.358 -0.254 -12.348 1.00 0.00 H new ATOM 0 HE2 MET B 15 -1.491 -2.020 -12.515 1.00 0.00 H new ATOM 0 HE3 MET B 15 -0.312 -1.321 -11.380 1.00 0.00 H new ATOM 1094 N LYS B 16 2.639 -6.227 -12.234 1.00 0.00 N ATOM 1095 CA LYS B 16 2.817 -7.531 -12.891 1.00 0.00 C ATOM 1096 C LYS B 16 1.842 -8.600 -12.385 1.00 0.00 C ATOM 1097 O LYS B 16 1.320 -9.387 -13.172 1.00 0.00 O ATOM 1098 CB LYS B 16 4.265 -7.994 -12.672 1.00 0.00 C ATOM 1099 CG LYS B 16 4.760 -8.807 -13.874 1.00 0.00 C ATOM 1100 CD LYS B 16 6.137 -9.426 -13.608 1.00 0.00 C ATOM 1101 CE LYS B 16 6.669 -10.114 -14.871 1.00 0.00 C ATOM 1102 NZ LYS B 16 7.342 -9.160 -15.795 1.00 0.00 N ATOM 0 H LYS B 16 3.496 -5.871 -11.812 1.00 0.00 H new ATOM 0 HA LYS B 16 2.603 -7.401 -13.952 1.00 0.00 H new ATOM 0 HB2 LYS B 16 4.910 -7.129 -12.521 1.00 0.00 H new ATOM 0 HB3 LYS B 16 4.326 -8.599 -11.767 1.00 0.00 H new ATOM 0 HG2 LYS B 16 4.043 -9.596 -14.100 1.00 0.00 H new ATOM 0 HG3 LYS B 16 4.813 -8.164 -14.752 1.00 0.00 H new ATOM 0 HD2 LYS B 16 6.834 -8.652 -13.287 1.00 0.00 H new ATOM 0 HD3 LYS B 16 6.067 -10.149 -12.795 1.00 0.00 H new ATOM 0 HE2 LYS B 16 7.372 -10.897 -14.586 1.00 0.00 H new ATOM 0 HE3 LYS B 16 5.844 -10.600 -15.392 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 7.684 -9.672 -16.633 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 6.666 -8.426 -16.089 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 8.146 -8.715 -15.309 1.00 0.00 H new ATOM 1116 N LEU B 17 1.592 -8.605 -11.075 1.00 0.00 N ATOM 1117 CA LEU B 17 0.736 -9.542 -10.354 1.00 0.00 C ATOM 1118 C LEU B 17 -0.720 -9.096 -10.377 1.00 0.00 C ATOM 1119 O LEU B 17 -1.624 -9.892 -10.632 1.00 0.00 O ATOM 1120 CB LEU B 17 1.206 -9.552 -8.896 1.00 0.00 C ATOM 1121 CG LEU B 17 2.636 -10.069 -8.747 1.00 0.00 C ATOM 1122 CD1 LEU B 17 3.183 -9.620 -7.398 1.00 0.00 C ATOM 1123 CD2 LEU B 17 2.678 -11.589 -8.884 1.00 0.00 C ATOM 0 H LEU B 17 2.008 -7.912 -10.453 1.00 0.00 H new ATOM 0 HA LEU B 17 0.802 -10.524 -10.822 1.00 0.00 H new ATOM 0 HB2 LEU B 17 1.144 -8.542 -8.490 1.00 0.00 H new ATOM 0 HB3 LEU B 17 0.534 -10.175 -8.305 1.00 0.00 H new ATOM 0 HG LEU B 17 3.260 -9.657 -9.540 1.00 0.00 H new ATOM 0 HD11 LEU B 17 4.204 -9.983 -7.280 1.00 0.00 H new ATOM 0 HD12 LEU B 17 3.177 -8.531 -7.347 1.00 0.00 H new ATOM 0 HD13 LEU B 17 2.560 -10.024 -6.600 1.00 0.00 H new ATOM 0 HD21 LEU B 17 3.706 -11.936 -8.775 1.00 0.00 H new ATOM 0 HD22 LEU B 17 2.058 -12.041 -8.110 1.00 0.00 H new ATOM 0 HD23 LEU B 17 2.301 -11.876 -9.865 1.00 0.00 H new ATOM 1135 N TYR B 18 -0.925 -7.799 -10.150 1.00 0.00 N ATOM 1136 CA TYR B 18 -2.228 -7.145 -10.216 1.00 0.00 C ATOM 1137 C TYR B 18 -2.939 -7.431 -11.552 1.00 0.00 C ATOM 1138 O TYR B 18 -4.099 -7.848 -11.563 1.00 0.00 O ATOM 1139 CB TYR B 18 -2.009 -5.638 -10.018 1.00 0.00 C ATOM 1140 CG TYR B 18 -2.257 -5.057 -8.637 1.00 0.00 C ATOM 1141 CD1 TYR B 18 -3.465 -5.311 -7.956 1.00 0.00 C ATOM 1142 CD2 TYR B 18 -1.313 -4.173 -8.073 1.00 0.00 C ATOM 1143 CE1 TYR B 18 -3.723 -4.697 -6.714 1.00 0.00 C ATOM 1144 CE2 TYR B 18 -1.567 -3.556 -6.834 1.00 0.00 C ATOM 1145 CZ TYR B 18 -2.775 -3.813 -6.154 1.00 0.00 C ATOM 1146 OH TYR B 18 -3.023 -3.190 -4.972 1.00 0.00 O ATOM 0 H TYR B 18 -0.168 -7.159 -9.909 1.00 0.00 H new ATOM 0 HA TYR B 18 -2.876 -7.538 -9.433 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -0.980 -5.411 -10.296 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -2.653 -5.112 -10.722 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -4.196 -5.979 -8.388 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -0.390 -3.969 -8.595 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -4.645 -4.902 -6.191 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -0.837 -2.886 -6.404 1.00 0.00 H new ATOM 0 HH TYR B 18 -2.703 -2.265 -5.016 1.00 0.00 H new ATOM 1156 N ARG B 19 -2.237 -7.270 -12.686 1.00 0.00 N ATOM 1157 CA ARG B 19 -2.782 -7.564 -14.023 1.00 0.00 C ATOM 1158 C ARG B 19 -2.928 -9.060 -14.316 1.00 0.00 C ATOM 1159 O ARG B 19 -3.835 -9.434 -15.053 1.00 0.00 O ATOM 1160 CB ARG B 19 -1.997 -6.795 -15.106 1.00 0.00 C ATOM 1161 CG ARG B 19 -0.594 -7.333 -15.435 1.00 0.00 C ATOM 1162 CD ARG B 19 -0.598 -8.363 -16.572 1.00 0.00 C ATOM 1163 NE ARG B 19 0.764 -8.881 -16.818 1.00 0.00 N ATOM 1164 CZ ARG B 19 1.465 -8.811 -17.937 1.00 0.00 C ATOM 1165 NH1 ARG B 19 1.017 -8.227 -19.014 1.00 0.00 N ATOM 1166 NH2 ARG B 19 2.656 -9.333 -17.996 1.00 0.00 N ATOM 0 H ARG B 19 -1.275 -6.932 -12.702 1.00 0.00 H new ATOM 0 HA ARG B 19 -3.809 -7.198 -14.042 1.00 0.00 H new ATOM 0 HB2 ARG B 19 -2.588 -6.794 -16.022 1.00 0.00 H new ATOM 0 HB3 ARG B 19 -1.901 -5.757 -14.788 1.00 0.00 H new ATOM 0 HG2 ARG B 19 0.053 -6.500 -15.709 1.00 0.00 H new ATOM 0 HG3 ARG B 19 -0.167 -7.788 -14.541 1.00 0.00 H new ATOM 0 HD2 ARG B 19 -1.265 -9.187 -16.319 1.00 0.00 H new ATOM 0 HD3 ARG B 19 -0.987 -7.905 -17.481 1.00 0.00 H new ATOM 0 HE ARG B 19 1.217 -9.348 -16.032 1.00 0.00 H new ATOM 0 HH11 ARG B 19 0.091 -7.800 -19.015 1.00 0.00 H new ATOM 0 HH12 ARG B 19 1.593 -8.197 -19.855 1.00 0.00 H new ATOM 0 HH21 ARG B 19 3.050 -9.797 -17.178 1.00 0.00 H new ATOM 0 HH22 ARG B 19 3.195 -9.278 -18.860 1.00 0.00 H new ATOM 1180 N GLU B 20 -2.109 -9.927 -13.712 1.00 0.00 N ATOM 1181 CA GLU B 20 -2.250 -11.391 -13.826 1.00 0.00 C ATOM 1182 C GLU B 20 -3.584 -11.854 -13.231 1.00 0.00 C ATOM 1183 O GLU B 20 -4.374 -12.544 -13.876 1.00 0.00 O ATOM 1184 CB GLU B 20 -1.093 -12.073 -13.075 1.00 0.00 C ATOM 1185 CG GLU B 20 -0.795 -13.504 -13.541 1.00 0.00 C ATOM 1186 CD GLU B 20 -0.137 -13.542 -14.935 1.00 0.00 C ATOM 1187 OE1 GLU B 20 1.101 -13.356 -15.034 1.00 0.00 O ATOM 1188 OE2 GLU B 20 -0.850 -13.781 -15.939 1.00 0.00 O ATOM 0 H GLU B 20 -1.325 -9.637 -13.127 1.00 0.00 H new ATOM 0 HA GLU B 20 -2.224 -11.664 -14.881 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -0.193 -11.470 -13.193 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -1.327 -12.091 -12.011 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -0.139 -13.989 -12.819 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -1.722 -14.076 -13.564 1.00 0.00 H new ATOM 1195 N ALA B 21 -3.862 -11.396 -12.009 1.00 0.00 N ATOM 1196 CA ALA B 21 -5.146 -11.588 -11.331 1.00 0.00 C ATOM 1197 C ALA B 21 -6.331 -10.967 -12.104 1.00 0.00 C ATOM 1198 O ALA B 21 -7.418 -11.548 -12.158 1.00 0.00 O ATOM 1199 CB ALA B 21 -5.027 -11.019 -9.913 1.00 0.00 C ATOM 0 H ALA B 21 -3.188 -10.871 -11.452 1.00 0.00 H new ATOM 0 HA ALA B 21 -5.367 -12.654 -11.286 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -5.973 -11.151 -9.388 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -4.237 -11.544 -9.376 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -4.786 -9.957 -9.966 1.00 0.00 H new ATOM 1205 N SER B 22 -6.120 -9.820 -12.760 1.00 0.00 N ATOM 1206 CA SER B 22 -7.119 -9.188 -13.638 1.00 0.00 C ATOM 1207 C SER B 22 -7.458 -10.038 -14.867 1.00 0.00 C ATOM 1208 O SER B 22 -8.626 -10.193 -15.217 1.00 0.00 O ATOM 1209 CB SER B 22 -6.623 -7.815 -14.097 1.00 0.00 C ATOM 1210 OG SER B 22 -7.712 -6.927 -14.281 1.00 0.00 O ATOM 0 H SER B 22 -5.246 -9.298 -12.698 1.00 0.00 H new ATOM 0 HA SER B 22 -8.030 -9.087 -13.048 1.00 0.00 H new ATOM 0 HB2 SER B 22 -5.934 -7.406 -13.358 1.00 0.00 H new ATOM 0 HB3 SER B 22 -6.068 -7.916 -15.029 1.00 0.00 H new ATOM 0 HG SER B 22 -7.376 -6.054 -14.573 1.00 0.00 H new ATOM 1216 N GLU B 23 -6.454 -10.637 -15.508 1.00 0.00 N ATOM 1217 CA GLU B 23 -6.667 -11.603 -16.599 1.00 0.00 C ATOM 1218 C GLU B 23 -7.338 -12.905 -16.123 1.00 0.00 C ATOM 1219 O GLU B 23 -8.160 -13.473 -16.849 1.00 0.00 O ATOM 1220 CB GLU B 23 -5.346 -11.926 -17.318 1.00 0.00 C ATOM 1221 CG GLU B 23 -4.881 -10.769 -18.213 1.00 0.00 C ATOM 1222 CD GLU B 23 -3.670 -11.176 -19.076 1.00 0.00 C ATOM 1223 OE1 GLU B 23 -3.858 -11.902 -20.084 1.00 0.00 O ATOM 1224 OE2 GLU B 23 -2.527 -10.755 -18.772 1.00 0.00 O ATOM 0 H GLU B 23 -5.471 -10.471 -15.291 1.00 0.00 H new ATOM 0 HA GLU B 23 -7.350 -11.123 -17.300 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -4.575 -12.145 -16.579 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -5.472 -12.824 -17.923 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -5.701 -10.455 -18.859 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -4.617 -9.912 -17.594 1.00 0.00 H new ATOM 1231 N ARG B 24 -7.026 -13.378 -14.905 1.00 0.00 N ATOM 1232 CA ARG B 24 -7.569 -14.630 -14.345 1.00 0.00 C ATOM 1233 C ARG B 24 -9.009 -14.514 -13.818 1.00 0.00 C ATOM 1234 O ARG B 24 -9.727 -15.515 -13.819 1.00 0.00 O ATOM 1235 CB ARG B 24 -6.606 -15.162 -13.264 1.00 0.00 C ATOM 1236 CG ARG B 24 -6.680 -16.692 -13.122 1.00 0.00 C ATOM 1237 CD ARG B 24 -5.610 -17.216 -12.157 1.00 0.00 C ATOM 1238 NE ARG B 24 -5.479 -18.684 -12.242 1.00 0.00 N ATOM 1239 CZ ARG B 24 -4.504 -19.423 -11.741 1.00 0.00 C ATOM 1240 NH1 ARG B 24 -3.549 -18.912 -11.013 1.00 0.00 N ATOM 1241 NH2 ARG B 24 -4.463 -20.705 -11.966 1.00 0.00 N ATOM 0 H ARG B 24 -6.384 -12.898 -14.274 1.00 0.00 H new ATOM 0 HA ARG B 24 -7.638 -15.345 -15.165 1.00 0.00 H new ATOM 0 HB2 ARG B 24 -5.586 -14.871 -13.514 1.00 0.00 H new ATOM 0 HB3 ARG B 24 -6.845 -14.698 -12.307 1.00 0.00 H new ATOM 0 HG2 ARG B 24 -7.668 -16.978 -12.762 1.00 0.00 H new ATOM 0 HG3 ARG B 24 -6.550 -17.157 -14.099 1.00 0.00 H new ATOM 0 HD2 ARG B 24 -4.652 -16.750 -12.386 1.00 0.00 H new ATOM 0 HD3 ARG B 24 -5.867 -16.931 -11.137 1.00 0.00 H new ATOM 0 HE ARG B 24 -6.218 -19.180 -12.740 1.00 0.00 H new ATOM 0 HH11 ARG B 24 -3.539 -17.912 -10.814 1.00 0.00 H new ATOM 0 HH12 ARG B 24 -2.813 -19.513 -10.643 1.00 0.00 H new ATOM 0 HH21 ARG B 24 -5.187 -21.147 -12.533 1.00 0.00 H new ATOM 0 HH22 ARG B 24 -3.707 -21.267 -11.575 1.00 0.00 H new ATOM 1255 N VAL B 25 -9.442 -13.320 -13.389 1.00 0.00 N ATOM 1256 CA VAL B 25 -10.771 -13.069 -12.786 1.00 0.00 C ATOM 1257 C VAL B 25 -11.344 -11.701 -13.188 1.00 0.00 C ATOM 1258 O VAL B 25 -12.440 -11.645 -13.751 1.00 0.00 O ATOM 1259 CB VAL B 25 -10.729 -13.181 -11.246 1.00 0.00 C ATOM 1260 CG1 VAL B 25 -12.130 -13.013 -10.648 1.00 0.00 C ATOM 1261 CG2 VAL B 25 -10.184 -14.524 -10.740 1.00 0.00 C ATOM 0 H VAL B 25 -8.869 -12.478 -13.450 1.00 0.00 H new ATOM 0 HA VAL B 25 -11.430 -13.843 -13.178 1.00 0.00 H new ATOM 0 HB VAL B 25 -10.055 -12.385 -10.928 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -12.075 -13.096 -9.563 1.00 0.00 H new ATOM 0 HG12 VAL B 25 -12.526 -12.034 -10.918 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -12.788 -13.790 -11.038 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -10.184 -14.529 -9.650 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -10.814 -15.334 -11.107 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -9.166 -14.664 -11.103 1.00 0.00 H new ATOM 1271 N GLY B 26 -10.618 -10.604 -12.937 1.00 0.00 N ATOM 1272 CA GLY B 26 -11.007 -9.259 -13.392 1.00 0.00 C ATOM 1273 C GLY B 26 -12.199 -8.630 -12.654 1.00 0.00 C ATOM 1274 O GLY B 26 -13.106 -8.096 -13.296 1.00 0.00 O ATOM 0 H GLY B 26 -9.743 -10.622 -12.412 1.00 0.00 H new ATOM 0 HA2 GLY B 26 -10.147 -8.597 -13.288 1.00 0.00 H new ATOM 0 HA3 GLY B 26 -11.245 -9.309 -14.455 1.00 0.00 H new ATOM 1278 N ASP B 27 -12.222 -8.703 -11.318 1.00 0.00 N ATOM 1279 CA ASP B 27 -13.224 -8.023 -10.473 1.00 0.00 C ATOM 1280 C ASP B 27 -13.314 -6.498 -10.745 1.00 0.00 C ATOM 1281 O ASP B 27 -12.308 -5.871 -11.096 1.00 0.00 O ATOM 1282 CB ASP B 27 -12.919 -8.291 -8.983 1.00 0.00 C ATOM 1283 CG ASP B 27 -13.805 -9.407 -8.408 1.00 0.00 C ATOM 1284 OD1 ASP B 27 -13.459 -10.596 -8.559 1.00 0.00 O ATOM 1285 OD2 ASP B 27 -14.859 -9.088 -7.805 1.00 0.00 O ATOM 0 H ASP B 27 -11.540 -9.240 -10.783 1.00 0.00 H new ATOM 0 HA ASP B 27 -14.198 -8.438 -10.732 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -11.870 -8.566 -8.871 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -13.071 -7.376 -8.411 1.00 0.00 H new ATOM 1290 N PRO B 28 -14.485 -5.859 -10.549 1.00 0.00 N ATOM 1291 CA PRO B 28 -14.682 -4.452 -10.907 1.00 0.00 C ATOM 1292 C PRO B 28 -13.851 -3.490 -10.048 1.00 0.00 C ATOM 1293 O PRO B 28 -13.247 -2.559 -10.583 1.00 0.00 O ATOM 1294 CB PRO B 28 -16.189 -4.198 -10.781 1.00 0.00 C ATOM 1295 CG PRO B 28 -16.665 -5.265 -9.795 1.00 0.00 C ATOM 1296 CD PRO B 28 -15.733 -6.442 -10.077 1.00 0.00 C ATOM 0 HA PRO B 28 -14.331 -4.260 -11.921 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -16.395 -3.193 -10.411 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -16.691 -4.292 -11.744 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -16.583 -4.925 -8.763 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -17.709 -5.530 -9.961 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -15.571 -7.036 -9.178 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -16.161 -7.108 -10.826 1.00 0.00 H new ATOM 1304 N VAL B 29 -13.745 -3.724 -8.732 1.00 0.00 N ATOM 1305 CA VAL B 29 -12.877 -2.912 -7.859 1.00 0.00 C ATOM 1306 C VAL B 29 -11.387 -3.124 -8.163 1.00 0.00 C ATOM 1307 O VAL B 29 -10.603 -2.186 -8.036 1.00 0.00 O ATOM 1308 CB VAL B 29 -13.224 -3.110 -6.369 1.00 0.00 C ATOM 1309 CG1 VAL B 29 -12.727 -4.431 -5.770 1.00 0.00 C ATOM 1310 CG2 VAL B 29 -12.691 -1.957 -5.518 1.00 0.00 C ATOM 0 H VAL B 29 -14.248 -4.467 -8.247 1.00 0.00 H new ATOM 0 HA VAL B 29 -13.078 -1.865 -8.085 1.00 0.00 H new ATOM 0 HB VAL B 29 -14.313 -3.135 -6.346 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -13.015 -4.486 -4.720 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -13.171 -5.266 -6.312 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -11.641 -4.482 -5.851 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -12.951 -2.125 -4.473 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -11.607 -1.902 -5.618 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -13.134 -1.020 -5.856 1.00 0.00 H new ATOM 1320 N LEU B 30 -10.998 -4.304 -8.666 1.00 0.00 N ATOM 1321 CA LEU B 30 -9.658 -4.560 -9.197 1.00 0.00 C ATOM 1322 C LEU B 30 -9.356 -3.603 -10.363 1.00 0.00 C ATOM 1323 O LEU B 30 -8.359 -2.888 -10.324 1.00 0.00 O ATOM 1324 CB LEU B 30 -9.547 -6.047 -9.606 1.00 0.00 C ATOM 1325 CG LEU B 30 -8.175 -6.679 -9.331 1.00 0.00 C ATOM 1326 CD1 LEU B 30 -8.220 -8.168 -9.684 1.00 0.00 C ATOM 1327 CD2 LEU B 30 -7.037 -6.038 -10.127 1.00 0.00 C ATOM 0 H LEU B 30 -11.615 -5.115 -8.715 1.00 0.00 H new ATOM 0 HA LEU B 30 -8.907 -4.369 -8.431 1.00 0.00 H new ATOM 0 HB2 LEU B 30 -10.309 -6.616 -9.073 1.00 0.00 H new ATOM 0 HB3 LEU B 30 -9.768 -6.136 -10.670 1.00 0.00 H new ATOM 0 HG LEU B 30 -7.971 -6.517 -8.272 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -7.246 -8.618 -9.489 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -8.977 -8.663 -9.076 1.00 0.00 H new ATOM 0 HD13 LEU B 30 -8.469 -8.285 -10.739 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -6.098 -6.534 -9.883 1.00 0.00 H new ATOM 0 HD22 LEU B 30 -7.236 -6.142 -11.194 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -6.966 -4.981 -9.872 1.00 0.00 H new ATOM 1339 N ALA B 31 -10.259 -3.491 -11.343 1.00 0.00 N ATOM 1340 CA ALA B 31 -10.119 -2.538 -12.450 1.00 0.00 C ATOM 1341 C ALA B 31 -10.026 -1.069 -11.978 1.00 0.00 C ATOM 1342 O ALA B 31 -9.189 -0.315 -12.485 1.00 0.00 O ATOM 1343 CB ALA B 31 -11.271 -2.746 -13.439 1.00 0.00 C ATOM 0 H ALA B 31 -11.106 -4.057 -11.391 1.00 0.00 H new ATOM 0 HA ALA B 31 -9.171 -2.737 -12.949 1.00 0.00 H new ATOM 0 HB1 ALA B 31 -11.174 -2.041 -14.265 1.00 0.00 H new ATOM 0 HB2 ALA B 31 -11.239 -3.765 -13.826 1.00 0.00 H new ATOM 0 HB3 ALA B 31 -12.221 -2.581 -12.931 1.00 0.00 H new ATOM 1349 N LYS B 32 -10.817 -0.665 -10.968 1.00 0.00 N ATOM 1350 CA LYS B 32 -10.710 0.672 -10.342 1.00 0.00 C ATOM 1351 C LYS B 32 -9.385 0.913 -9.623 1.00 0.00 C ATOM 1352 O LYS B 32 -8.975 2.065 -9.483 1.00 0.00 O ATOM 1353 CB LYS B 32 -11.855 0.940 -9.353 1.00 0.00 C ATOM 1354 CG LYS B 32 -13.215 0.933 -10.053 1.00 0.00 C ATOM 1355 CD LYS B 32 -14.244 1.778 -9.291 1.00 0.00 C ATOM 1356 CE LYS B 32 -15.592 1.753 -10.020 1.00 0.00 C ATOM 1357 NZ LYS B 32 -16.551 2.722 -9.427 1.00 0.00 N ATOM 0 H LYS B 32 -11.547 -1.251 -10.562 1.00 0.00 H new ATOM 0 HA LYS B 32 -10.771 1.365 -11.181 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -11.844 0.183 -8.569 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -11.700 1.904 -8.868 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -13.106 1.318 -11.067 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -13.576 -0.092 -10.139 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -14.363 1.394 -8.278 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -13.889 2.805 -9.203 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -15.441 1.988 -11.074 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -16.013 0.749 -9.974 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -17.452 2.679 -9.944 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -16.713 2.483 -8.428 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -16.159 3.683 -9.494 1.00 0.00 H new ATOM 1371 N ILE B 33 -8.709 -0.143 -9.174 1.00 0.00 N ATOM 1372 CA ILE B 33 -7.421 -0.005 -8.485 1.00 0.00 C ATOM 1373 C ILE B 33 -6.274 0.287 -9.459 1.00 0.00 C ATOM 1374 O ILE B 33 -5.483 1.205 -9.229 1.00 0.00 O ATOM 1375 CB ILE B 33 -7.135 -1.241 -7.601 1.00 0.00 C ATOM 1376 CG1 ILE B 33 -7.982 -1.107 -6.325 1.00 0.00 C ATOM 1377 CG2 ILE B 33 -5.648 -1.431 -7.234 1.00 0.00 C ATOM 1378 CD1 ILE B 33 -8.147 -2.433 -5.592 1.00 0.00 C ATOM 0 H ILE B 33 -9.030 -1.106 -9.274 1.00 0.00 H new ATOM 0 HA ILE B 33 -7.489 0.862 -7.827 1.00 0.00 H new ATOM 0 HB ILE B 33 -7.399 -2.128 -8.177 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -7.516 -0.382 -5.658 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -8.965 -0.714 -6.585 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -5.537 -2.320 -6.613 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -5.061 -1.549 -8.145 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -5.295 -0.559 -6.685 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -8.753 -2.282 -4.699 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -8.639 -3.152 -6.247 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -7.167 -2.815 -5.305 1.00 0.00 H new ATOM 1390 N LEU B 34 -6.207 -0.454 -10.569 1.00 0.00 N ATOM 1391 CA LEU B 34 -5.170 -0.295 -11.600 1.00 0.00 C ATOM 1392 C LEU B 34 -5.164 1.118 -12.216 1.00 0.00 C ATOM 1393 O LEU B 34 -4.119 1.603 -12.637 1.00 0.00 O ATOM 1394 CB LEU B 34 -5.391 -1.331 -12.725 1.00 0.00 C ATOM 1395 CG LEU B 34 -5.526 -2.796 -12.279 1.00 0.00 C ATOM 1396 CD1 LEU B 34 -5.847 -3.710 -13.461 1.00 0.00 C ATOM 1397 CD2 LEU B 34 -4.283 -3.330 -11.590 1.00 0.00 C ATOM 0 H LEU B 34 -6.879 -1.191 -10.782 1.00 0.00 H new ATOM 0 HA LEU B 34 -4.207 -0.453 -11.113 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.292 -1.055 -13.273 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -4.558 -1.261 -13.424 1.00 0.00 H new ATOM 0 HG LEU B 34 -6.346 -2.800 -11.561 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -5.936 -4.739 -13.112 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -6.787 -3.399 -13.917 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -5.047 -3.645 -14.199 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -4.445 -4.368 -11.301 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -3.435 -3.271 -12.272 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -4.075 -2.734 -10.701 1.00 0.00 H new ATOM 1409 N GLU B 35 -6.313 1.798 -12.230 1.00 0.00 N ATOM 1410 CA GLU B 35 -6.503 3.160 -12.724 1.00 0.00 C ATOM 1411 C GLU B 35 -5.622 4.183 -11.988 1.00 0.00 C ATOM 1412 O GLU B 35 -5.060 5.089 -12.607 1.00 0.00 O ATOM 1413 CB GLU B 35 -7.988 3.489 -12.530 1.00 0.00 C ATOM 1414 CG GLU B 35 -8.817 3.298 -13.799 1.00 0.00 C ATOM 1415 CD GLU B 35 -8.778 4.547 -14.700 1.00 0.00 C ATOM 1416 OE1 GLU B 35 -7.865 4.661 -15.550 1.00 0.00 O ATOM 1417 OE2 GLU B 35 -9.671 5.422 -14.568 1.00 0.00 O ATOM 0 H GLU B 35 -7.179 1.390 -11.878 1.00 0.00 H new ATOM 0 HA GLU B 35 -6.208 3.218 -13.772 1.00 0.00 H new ATOM 0 HB2 GLU B 35 -8.393 2.857 -11.740 1.00 0.00 H new ATOM 0 HB3 GLU B 35 -8.084 4.521 -12.193 1.00 0.00 H new ATOM 0 HG2 GLU B 35 -8.441 2.438 -14.353 1.00 0.00 H new ATOM 0 HG3 GLU B 35 -9.850 3.076 -13.529 1.00 0.00 H new ATOM 1424 N ASP B 36 -5.465 4.017 -10.672 1.00 0.00 N ATOM 1425 CA ASP B 36 -4.526 4.782 -9.852 1.00 0.00 C ATOM 1426 C ASP B 36 -3.092 4.239 -9.984 1.00 0.00 C ATOM 1427 O ASP B 36 -2.134 4.977 -10.203 1.00 0.00 O ATOM 1428 CB ASP B 36 -4.983 4.640 -8.394 1.00 0.00 C ATOM 1429 CG ASP B 36 -6.254 5.434 -8.044 1.00 0.00 C ATOM 1430 OD1 ASP B 36 -6.477 6.540 -8.591 1.00 0.00 O ATOM 1431 OD2 ASP B 36 -7.023 4.945 -7.183 1.00 0.00 O ATOM 0 H ASP B 36 -5.999 3.332 -10.137 1.00 0.00 H new ATOM 0 HA ASP B 36 -4.517 5.822 -10.178 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -5.159 3.585 -8.183 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -4.174 4.966 -7.740 1.00 0.00 H new ATOM 1436 N GLU B 37 -2.947 2.922 -9.865 1.00 0.00 N ATOM 1437 CA GLU B 37 -1.676 2.200 -9.758 1.00 0.00 C ATOM 1438 C GLU B 37 -0.813 2.240 -11.041 1.00 0.00 C ATOM 1439 O GLU B 37 0.409 2.130 -10.959 1.00 0.00 O ATOM 1440 CB GLU B 37 -2.085 0.763 -9.372 1.00 0.00 C ATOM 1441 CG GLU B 37 -1.062 -0.098 -8.645 1.00 0.00 C ATOM 1442 CD GLU B 37 -0.753 0.450 -7.244 1.00 0.00 C ATOM 1443 OE1 GLU B 37 0.094 1.363 -7.098 1.00 0.00 O ATOM 1444 OE2 GLU B 37 -1.380 0.049 -6.229 1.00 0.00 O ATOM 0 H GLU B 37 -3.751 2.295 -9.839 1.00 0.00 H new ATOM 0 HA GLU B 37 -1.025 2.668 -9.019 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -2.975 0.826 -8.746 1.00 0.00 H new ATOM 0 HB3 GLU B 37 -2.373 0.241 -10.284 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -1.437 -1.118 -8.562 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -0.143 -0.143 -9.229 1.00 0.00 H new ATOM 1451 N GLU B 38 -1.409 2.458 -12.220 1.00 0.00 N ATOM 1452 CA GLU B 38 -0.690 2.763 -13.471 1.00 0.00 C ATOM 1453 C GLU B 38 -0.116 4.192 -13.490 1.00 0.00 C ATOM 1454 O GLU B 38 0.988 4.427 -13.988 1.00 0.00 O ATOM 1455 CB GLU B 38 -1.641 2.627 -14.678 1.00 0.00 C ATOM 1456 CG GLU B 38 -1.864 1.179 -15.128 1.00 0.00 C ATOM 1457 CD GLU B 38 -2.782 1.114 -16.365 1.00 0.00 C ATOM 1458 OE1 GLU B 38 -2.315 1.434 -17.487 1.00 0.00 O ATOM 1459 OE2 GLU B 38 -3.969 0.727 -16.239 1.00 0.00 O ATOM 0 H GLU B 38 -2.422 2.428 -12.337 1.00 0.00 H new ATOM 0 HA GLU B 38 0.133 2.051 -13.531 1.00 0.00 H new ATOM 0 HB2 GLU B 38 -2.603 3.071 -14.423 1.00 0.00 H new ATOM 0 HB3 GLU B 38 -1.238 3.199 -15.513 1.00 0.00 H new ATOM 0 HG2 GLU B 38 -0.905 0.716 -15.359 1.00 0.00 H new ATOM 0 HG3 GLU B 38 -2.307 0.606 -14.313 1.00 0.00 H new ATOM 1466 N LYS B 39 -0.865 5.162 -12.950 1.00 0.00 N ATOM 1467 CA LYS B 39 -0.578 6.598 -12.967 1.00 0.00 C ATOM 1468 C LYS B 39 0.456 6.973 -11.907 1.00 0.00 C ATOM 1469 O LYS B 39 1.285 7.856 -12.123 1.00 0.00 O ATOM 1470 CB LYS B 39 -1.941 7.273 -12.749 1.00 0.00 C ATOM 1471 CG LYS B 39 -1.899 8.706 -12.239 1.00 0.00 C ATOM 1472 CD LYS B 39 -1.270 9.704 -13.230 1.00 0.00 C ATOM 1473 CE LYS B 39 -2.245 10.845 -13.545 1.00 0.00 C ATOM 1474 NZ LYS B 39 -1.695 11.770 -14.571 1.00 0.00 N ATOM 0 H LYS B 39 -1.736 4.951 -12.463 1.00 0.00 H new ATOM 0 HA LYS B 39 -0.129 6.925 -13.905 1.00 0.00 H new ATOM 0 HB2 LYS B 39 -2.486 7.260 -13.693 1.00 0.00 H new ATOM 0 HB3 LYS B 39 -2.513 6.673 -12.042 1.00 0.00 H new ATOM 0 HG2 LYS B 39 -2.914 9.029 -12.009 1.00 0.00 H new ATOM 0 HG3 LYS B 39 -1.337 8.733 -11.306 1.00 0.00 H new ATOM 0 HD2 LYS B 39 -0.350 10.111 -12.809 1.00 0.00 H new ATOM 0 HD3 LYS B 39 -0.998 9.187 -14.150 1.00 0.00 H new ATOM 0 HE2 LYS B 39 -3.189 10.430 -13.898 1.00 0.00 H new ATOM 0 HE3 LYS B 39 -2.462 11.401 -12.633 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 -2.381 12.528 -14.758 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 -0.807 12.185 -14.224 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 -1.511 11.244 -15.449 1.00 0.00 H new ATOM 1488 N HIS B 40 0.455 6.232 -10.800 1.00 0.00 N ATOM 1489 CA HIS B 40 1.444 6.259 -9.726 1.00 0.00 C ATOM 1490 C HIS B 40 2.900 6.308 -10.199 1.00 0.00 C ATOM 1491 O HIS B 40 3.692 6.971 -9.549 1.00 0.00 O ATOM 1492 CB HIS B 40 1.215 5.007 -8.870 1.00 0.00 C ATOM 1493 CG HIS B 40 0.164 5.105 -7.799 1.00 0.00 C ATOM 1494 ND1 HIS B 40 -0.005 4.175 -6.758 1.00 0.00 N ATOM 1495 CD2 HIS B 40 -0.780 6.083 -7.696 1.00 0.00 C ATOM 1496 CE1 HIS B 40 -1.086 4.628 -6.080 1.00 0.00 C ATOM 1497 NE2 HIS B 40 -1.551 5.768 -6.610 1.00 0.00 N ATOM 0 H HIS B 40 -0.285 5.553 -10.619 1.00 0.00 H new ATOM 0 HA HIS B 40 1.301 7.183 -9.166 1.00 0.00 H new ATOM 0 HB2 HIS B 40 0.949 4.185 -9.534 1.00 0.00 H new ATOM 0 HB3 HIS B 40 2.160 4.741 -8.396 1.00 0.00 H new ATOM 0 HD1 HIS B 40 0.558 3.348 -6.559 1.00 0.00 H new ATOM 0 HD2 HIS B 40 -0.897 6.939 -8.344 1.00 0.00 H new ATOM 0 HE1 HIS B 40 -1.518 4.134 -5.222 1.00 0.00 H new ATOM 1505 N ILE B 41 3.241 5.654 -11.314 1.00 0.00 N ATOM 1506 CA ILE B 41 4.577 5.520 -11.924 1.00 0.00 C ATOM 1507 C ILE B 41 5.018 6.822 -12.619 1.00 0.00 C ATOM 1508 O ILE B 41 6.184 7.207 -12.538 1.00 0.00 O ATOM 1509 CB ILE B 41 4.555 4.380 -12.977 1.00 0.00 C ATOM 1510 CG1 ILE B 41 4.068 3.013 -12.441 1.00 0.00 C ATOM 1511 CG2 ILE B 41 5.930 4.205 -13.648 1.00 0.00 C ATOM 1512 CD1 ILE B 41 4.913 2.403 -11.318 1.00 0.00 C ATOM 0 H ILE B 41 2.535 5.163 -11.862 1.00 0.00 H new ATOM 0 HA ILE B 41 5.284 5.295 -11.125 1.00 0.00 H new ATOM 0 HB ILE B 41 3.818 4.707 -13.710 1.00 0.00 H new ATOM 0 HG12 ILE B 41 3.046 3.128 -12.081 1.00 0.00 H new ATOM 0 HG13 ILE B 41 4.036 2.308 -13.271 1.00 0.00 H new ATOM 0 HG21 ILE B 41 5.878 3.399 -14.379 1.00 0.00 H new ATOM 0 HG22 ILE B 41 6.211 5.131 -14.149 1.00 0.00 H new ATOM 0 HG23 ILE B 41 6.676 3.961 -12.891 1.00 0.00 H new ATOM 0 HD11 ILE B 41 4.483 1.447 -11.017 1.00 0.00 H new ATOM 0 HD12 ILE B 41 5.932 2.247 -11.673 1.00 0.00 H new ATOM 0 HD13 ILE B 41 4.926 3.080 -10.464 1.00 0.00 H new ATOM 1524 N GLU B 42 4.096 7.525 -13.285 1.00 0.00 N ATOM 1525 CA GLU B 42 4.364 8.841 -13.886 1.00 0.00 C ATOM 1526 C GLU B 42 4.717 9.853 -12.784 1.00 0.00 C ATOM 1527 O GLU B 42 5.722 10.566 -12.861 1.00 0.00 O ATOM 1528 CB GLU B 42 3.125 9.292 -14.684 1.00 0.00 C ATOM 1529 CG GLU B 42 3.328 10.572 -15.507 1.00 0.00 C ATOM 1530 CD GLU B 42 4.174 10.320 -16.772 1.00 0.00 C ATOM 1531 OE1 GLU B 42 5.425 10.381 -16.699 1.00 0.00 O ATOM 1532 OE2 GLU B 42 3.591 10.067 -17.855 1.00 0.00 O ATOM 0 H GLU B 42 3.140 7.199 -13.424 1.00 0.00 H new ATOM 0 HA GLU B 42 5.212 8.778 -14.567 1.00 0.00 H new ATOM 0 HB2 GLU B 42 2.829 8.487 -15.356 1.00 0.00 H new ATOM 0 HB3 GLU B 42 2.299 9.449 -13.990 1.00 0.00 H new ATOM 0 HG2 GLU B 42 2.357 10.975 -15.795 1.00 0.00 H new ATOM 0 HG3 GLU B 42 3.816 11.326 -14.889 1.00 0.00 H new ATOM 1539 N TRP B 43 3.934 9.845 -11.701 1.00 0.00 N ATOM 1540 CA TRP B 43 4.249 10.582 -10.480 1.00 0.00 C ATOM 1541 C TRP B 43 5.506 10.048 -9.769 1.00 0.00 C ATOM 1542 O TRP B 43 6.254 10.846 -9.208 1.00 0.00 O ATOM 1543 CB TRP B 43 3.031 10.574 -9.550 1.00 0.00 C ATOM 1544 CG TRP B 43 1.771 11.215 -10.066 1.00 0.00 C ATOM 1545 CD1 TRP B 43 1.689 12.201 -10.992 1.00 0.00 C ATOM 1546 CD2 TRP B 43 0.396 10.964 -9.639 1.00 0.00 C ATOM 1547 NE1 TRP B 43 0.369 12.580 -11.156 1.00 0.00 N ATOM 1548 CE2 TRP B 43 -0.468 11.871 -10.325 1.00 0.00 C ATOM 1549 CE3 TRP B 43 -0.208 10.081 -8.719 1.00 0.00 C ATOM 1550 CZ2 TRP B 43 -1.850 11.920 -10.093 1.00 0.00 C ATOM 1551 CZ3 TRP B 43 -1.597 10.114 -8.485 1.00 0.00 C ATOM 1552 CH2 TRP B 43 -2.417 11.032 -9.164 1.00 0.00 C ATOM 0 H TRP B 43 3.059 9.323 -11.650 1.00 0.00 H new ATOM 0 HA TRP B 43 4.482 11.610 -10.759 1.00 0.00 H new ATOM 0 HB2 TRP B 43 2.805 9.538 -9.298 1.00 0.00 H new ATOM 0 HB3 TRP B 43 3.310 11.074 -8.623 1.00 0.00 H new ATOM 0 HD1 TRP B 43 2.528 12.627 -11.522 1.00 0.00 H new ATOM 0 HE1 TRP B 43 0.055 13.296 -11.811 1.00 0.00 H new ATOM 0 HE3 TRP B 43 0.404 9.369 -8.186 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 -2.469 12.630 -10.621 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 -2.036 9.427 -7.777 1.00 0.00 H new ATOM 0 HH2 TRP B 43 -3.480 11.054 -8.972 1.00 0.00 H new ATOM 1563 N LEU B 44 5.794 8.738 -9.831 1.00 0.00 N ATOM 1564 CA LEU B 44 7.003 8.133 -9.243 1.00 0.00 C ATOM 1565 C LEU B 44 8.291 8.737 -9.822 1.00 0.00 C ATOM 1566 O LEU B 44 9.163 9.211 -9.099 1.00 0.00 O ATOM 1567 CB LEU B 44 6.967 6.619 -9.517 1.00 0.00 C ATOM 1568 CG LEU B 44 7.573 5.716 -8.459 1.00 0.00 C ATOM 1569 CD1 LEU B 44 7.401 4.265 -8.870 1.00 0.00 C ATOM 1570 CD2 LEU B 44 9.023 6.018 -8.122 1.00 0.00 C ATOM 0 H LEU B 44 5.189 8.061 -10.295 1.00 0.00 H new ATOM 0 HA LEU B 44 7.008 8.335 -8.172 1.00 0.00 H new ATOM 0 HB2 LEU B 44 5.927 6.325 -9.659 1.00 0.00 H new ATOM 0 HB3 LEU B 44 7.483 6.432 -10.459 1.00 0.00 H new ATOM 0 HG LEU B 44 7.027 5.916 -7.537 1.00 0.00 H new ATOM 0 HD11 LEU B 44 7.837 3.617 -8.109 1.00 0.00 H new ATOM 0 HD12 LEU B 44 6.340 4.040 -8.974 1.00 0.00 H new ATOM 0 HD13 LEU B 44 7.903 4.095 -9.822 1.00 0.00 H new ATOM 0 HD21 LEU B 44 9.371 5.323 -7.357 1.00 0.00 H new ATOM 0 HD22 LEU B 44 9.635 5.909 -9.017 1.00 0.00 H new ATOM 0 HD23 LEU B 44 9.105 7.039 -7.749 1.00 0.00 H new ATOM 1582 N GLU B 45 8.383 8.753 -11.148 1.00 0.00 N ATOM 1583 CA GLU B 45 9.497 9.365 -11.883 1.00 0.00 C ATOM 1584 C GLU B 45 9.571 10.886 -11.639 1.00 0.00 C ATOM 1585 O GLU B 45 10.652 11.429 -11.403 1.00 0.00 O ATOM 1586 CB GLU B 45 9.352 9.024 -13.376 1.00 0.00 C ATOM 1587 CG GLU B 45 10.683 8.992 -14.144 1.00 0.00 C ATOM 1588 CD GLU B 45 11.316 10.377 -14.390 1.00 0.00 C ATOM 1589 OE1 GLU B 45 10.626 11.288 -14.909 1.00 0.00 O ATOM 1590 OE2 GLU B 45 12.534 10.542 -14.127 1.00 0.00 O ATOM 0 H GLU B 45 7.678 8.336 -11.756 1.00 0.00 H new ATOM 0 HA GLU B 45 10.440 8.958 -11.518 1.00 0.00 H new ATOM 0 HB2 GLU B 45 8.867 8.053 -13.470 1.00 0.00 H new ATOM 0 HB3 GLU B 45 8.693 9.756 -13.843 1.00 0.00 H new ATOM 0 HG2 GLU B 45 11.392 8.376 -13.591 1.00 0.00 H new ATOM 0 HG3 GLU B 45 10.521 8.505 -15.106 1.00 0.00 H new ATOM 1597 N THR B 46 8.417 11.564 -11.594 1.00 0.00 N ATOM 1598 CA THR B 46 8.310 12.996 -11.236 1.00 0.00 C ATOM 1599 C THR B 46 8.860 13.304 -9.830 1.00 0.00 C ATOM 1600 O THR B 46 9.428 14.378 -9.610 1.00 0.00 O ATOM 1601 CB THR B 46 6.856 13.488 -11.363 1.00 0.00 C ATOM 1602 OG1 THR B 46 6.376 13.292 -12.678 1.00 0.00 O ATOM 1603 CG2 THR B 46 6.673 14.980 -11.072 1.00 0.00 C ATOM 0 H THR B 46 7.517 11.134 -11.807 1.00 0.00 H new ATOM 0 HA THR B 46 8.933 13.538 -11.947 1.00 0.00 H new ATOM 0 HB THR B 46 6.309 12.906 -10.621 1.00 0.00 H new ATOM 0 HG1 THR B 46 6.117 12.354 -12.795 1.00 0.00 H new ATOM 0 HG21 THR B 46 5.622 15.246 -11.183 1.00 0.00 H new ATOM 0 HG22 THR B 46 6.996 15.194 -10.053 1.00 0.00 H new ATOM 0 HG23 THR B 46 7.271 15.563 -11.772 1.00 0.00 H new ATOM 1611 N ILE B 47 8.765 12.359 -8.885 1.00 0.00 N ATOM 1612 CA ILE B 47 9.222 12.490 -7.485 1.00 0.00 C ATOM 1613 C ILE B 47 10.740 12.688 -7.302 1.00 0.00 C ATOM 1614 O ILE B 47 11.217 13.021 -6.216 1.00 0.00 O ATOM 1615 CB ILE B 47 8.629 11.323 -6.644 1.00 0.00 C ATOM 1616 CG1 ILE B 47 7.733 11.838 -5.506 1.00 0.00 C ATOM 1617 CG2 ILE B 47 9.660 10.340 -6.063 1.00 0.00 C ATOM 1618 CD1 ILE B 47 6.456 12.529 -6.001 1.00 0.00 C ATOM 0 H ILE B 47 8.353 11.446 -9.077 1.00 0.00 H new ATOM 0 HA ILE B 47 8.831 13.433 -7.103 1.00 0.00 H new ATOM 0 HB ILE B 47 8.040 10.762 -7.370 1.00 0.00 H new ATOM 0 HG12 ILE B 47 7.459 11.002 -4.863 1.00 0.00 H new ATOM 0 HG13 ILE B 47 8.302 12.538 -4.894 1.00 0.00 H new ATOM 0 HG21 ILE B 47 9.144 9.566 -5.495 1.00 0.00 H new ATOM 0 HG22 ILE B 47 10.222 9.880 -6.876 1.00 0.00 H new ATOM 0 HG23 ILE B 47 10.345 10.877 -5.406 1.00 0.00 H new ATOM 0 HD11 ILE B 47 5.871 12.868 -5.146 1.00 0.00 H new ATOM 0 HD12 ILE B 47 6.722 13.385 -6.620 1.00 0.00 H new ATOM 0 HD13 ILE B 47 5.866 11.826 -6.589 1.00 0.00 H new ATOM 1630 N ASN B 48 11.501 12.523 -8.381 1.00 0.00 N ATOM 1631 CA ASN B 48 12.948 12.757 -8.452 1.00 0.00 C ATOM 1632 C ASN B 48 13.365 14.248 -8.349 1.00 0.00 C ATOM 1633 O ASN B 48 14.554 14.538 -8.188 1.00 0.00 O ATOM 1634 CB ASN B 48 13.446 12.100 -9.753 1.00 0.00 C ATOM 1635 CG ASN B 48 14.960 12.114 -9.902 1.00 0.00 C ATOM 1636 OD1 ASN B 48 15.522 12.785 -10.756 1.00 0.00 O ATOM 1637 ND2 ASN B 48 15.668 11.368 -9.083 1.00 0.00 N ATOM 0 H ASN B 48 11.113 12.209 -9.270 1.00 0.00 H new ATOM 0 HA ASN B 48 13.420 12.308 -7.578 1.00 0.00 H new ATOM 0 HB2 ASN B 48 13.096 11.068 -9.786 1.00 0.00 H new ATOM 0 HB3 ASN B 48 13.001 12.616 -10.604 1.00 0.00 H new ATOM 0 HD21 ASN B 48 16.685 11.349 -9.160 1.00 0.00 H new ATOM 0 HD22 ASN B 48 15.200 10.808 -8.370 1.00 0.00 H new