USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 652 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 10 TYR OH : rot -37:sc= 0.399 USER MOD Set 1.2: A 14 GLN : amide:sc= -0.839 K(o=-0.51,f=-1.7!) USER MOD Set 1.3: A 45 HIS : no HD1:sc= -0.0691 K(o=-0.51,f=-3.6) USER MOD Set 2.1: A 43 TYR OH : rot -150:sc= 0.473 USER MOD Set 2.2: A 65 GLN : amide:sc= -0.416 X(o=0.057,f=0.47) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -0.698 X(o=-0.7,f=-0.4) USER MOD Single : A 18 LYS NZ :NH3+ -117:sc= 0.903 (180deg=-0.288) USER MOD Single : A 19 HIS : no HD1:sc= -0.329 X(o=-0.33,f=0.076) USER MOD Single : A 21 ASN : amide:sc= -0.342 X(o=-0.34,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -71:sc= 1.94 USER MOD Single : A 39 TYR OH : rot -32:sc= 0.667 USER MOD Single : A 42 THR OG1 : rot 154:sc= -1.93 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0134 USER MOD Single : A 62 THR OG1 : rot 76:sc= 0.934 USER MOD Single : A 63 TYR OH : rot -152:sc= -1.18 USER MOD Single : A 75 THR OG1 : rot -41:sc= 0.47 USER MOD Single : A 76 GLN : amide:sc= -0.836 K(o=-0.84,f=-3.1!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 77:sc= 0.983 USER MOD Single : A 83 GLN : amide:sc= -1.97 K(o=-2,f=-0.14) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -109:sc= -2.45! (180deg=-4.52!) USER MOD ----------------------------------------------------------------- ATOM 71 N PRO A 6 -10.410 1.745 9.298 1.00 0.00 N ATOM 72 CA PRO A 6 -9.211 1.860 8.420 1.00 0.00 C ATOM 73 C PRO A 6 -7.875 1.483 9.098 1.00 0.00 C ATOM 74 O PRO A 6 -7.153 0.604 8.600 1.00 0.00 O ATOM 75 CB PRO A 6 -9.226 3.340 7.973 1.00 0.00 C ATOM 76 CG PRO A 6 -10.670 3.718 8.010 1.00 0.00 C ATOM 77 CD PRO A 6 -11.242 2.978 9.205 1.00 0.00 C ATOM 0 HA PRO A 6 -9.268 1.150 7.595 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -8.633 3.964 8.642 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -8.809 3.458 6.973 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -10.793 4.796 8.118 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -11.177 3.430 7.089 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -11.174 3.575 10.114 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -12.295 2.739 9.059 1.00 0.00 H new ATOM 85 N PHE A 7 -7.574 2.124 10.239 1.00 0.00 N ATOM 86 CA PHE A 7 -6.331 1.862 10.994 1.00 0.00 C ATOM 87 C PHE A 7 -6.289 0.421 11.544 1.00 0.00 C ATOM 88 O PHE A 7 -5.209 -0.153 11.645 1.00 0.00 O ATOM 89 CB PHE A 7 -6.146 2.879 12.153 1.00 0.00 C ATOM 90 CG PHE A 7 -4.897 2.630 13.016 1.00 0.00 C ATOM 91 CD1 PHE A 7 -3.617 2.835 12.496 1.00 0.00 C ATOM 92 CD2 PHE A 7 -4.998 2.154 14.327 1.00 0.00 C ATOM 93 CE1 PHE A 7 -2.490 2.584 13.259 1.00 0.00 C ATOM 94 CE2 PHE A 7 -3.870 1.898 15.086 1.00 0.00 C ATOM 95 CZ PHE A 7 -2.616 2.115 14.551 1.00 0.00 C ATOM 0 H PHE A 7 -8.175 2.831 10.663 1.00 0.00 H new ATOM 0 HA PHE A 7 -5.506 1.983 10.292 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -6.090 3.884 11.734 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -7.028 2.848 12.793 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -3.505 3.195 11.484 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -5.975 1.983 14.755 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -1.509 2.756 12.842 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -3.970 1.529 16.096 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.734 1.918 15.143 1.00 0.00 H new ATOM 105 N THR A 8 -7.459 -0.144 11.909 1.00 0.00 N ATOM 106 CA THR A 8 -7.528 -1.489 12.511 1.00 0.00 C ATOM 107 C THR A 8 -6.987 -2.573 11.561 1.00 0.00 C ATOM 108 O THR A 8 -6.069 -3.299 11.935 1.00 0.00 O ATOM 109 CB THR A 8 -8.970 -1.853 12.968 1.00 0.00 C ATOM 110 OG1 THR A 8 -9.475 -0.814 13.815 1.00 0.00 O ATOM 111 CG2 THR A 8 -9.021 -3.202 13.720 1.00 0.00 C ATOM 0 H THR A 8 -8.365 0.310 11.797 1.00 0.00 H new ATOM 0 HA THR A 8 -6.890 -1.457 13.394 1.00 0.00 H new ATOM 0 HB THR A 8 -9.587 -1.951 12.075 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.384 -1.040 14.103 1.00 0.00 H new ATOM 0 HG21 THR A 8 -10.048 -3.413 14.019 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.663 -3.997 13.066 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.389 -3.149 14.606 1.00 0.00 H new ATOM 119 N ARG A 9 -7.539 -2.659 10.323 1.00 0.00 N ATOM 120 CA ARG A 9 -7.097 -3.675 9.328 1.00 0.00 C ATOM 121 C ARG A 9 -5.681 -3.352 8.802 1.00 0.00 C ATOM 122 O ARG A 9 -4.965 -4.251 8.377 1.00 0.00 O ATOM 123 CB ARG A 9 -8.075 -3.818 8.121 1.00 0.00 C ATOM 124 CG ARG A 9 -8.161 -2.580 7.189 1.00 0.00 C ATOM 125 CD ARG A 9 -9.369 -1.667 7.454 1.00 0.00 C ATOM 126 NE ARG A 9 -10.551 -2.042 6.655 1.00 0.00 N ATOM 127 CZ ARG A 9 -11.215 -1.214 5.835 1.00 0.00 C ATOM 128 NH1 ARG A 9 -10.821 0.038 5.668 1.00 0.00 N ATOM 129 NH2 ARG A 9 -12.281 -1.634 5.196 1.00 0.00 N ATOM 0 H ARG A 9 -8.283 -2.045 9.991 1.00 0.00 H new ATOM 0 HA ARG A 9 -7.089 -4.627 9.859 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -7.770 -4.679 7.527 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -9.072 -4.033 8.505 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.248 -1.995 7.298 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -8.199 -2.921 6.155 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -9.624 -1.706 8.513 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -9.096 -0.636 7.230 1.00 0.00 H new ATOM 0 HE ARG A 9 -10.888 -3.002 6.732 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -10.002 0.386 6.166 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -11.336 0.656 5.041 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -12.607 -2.592 5.322 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -12.784 -1.002 4.573 1.00 0.00 H new ATOM 143 N TYR A 10 -5.320 -2.053 8.814 1.00 0.00 N ATOM 144 CA TYR A 10 -3.984 -1.561 8.413 1.00 0.00 C ATOM 145 C TYR A 10 -2.897 -2.103 9.363 1.00 0.00 C ATOM 146 O TYR A 10 -1.919 -2.709 8.919 1.00 0.00 O ATOM 147 CB TYR A 10 -4.005 -0.007 8.410 1.00 0.00 C ATOM 148 CG TYR A 10 -2.654 0.689 8.170 1.00 0.00 C ATOM 149 CD1 TYR A 10 -2.048 0.684 6.910 1.00 0.00 C ATOM 150 CD2 TYR A 10 -1.997 1.370 9.201 1.00 0.00 C ATOM 151 CE1 TYR A 10 -0.848 1.330 6.692 1.00 0.00 C ATOM 152 CE2 TYR A 10 -0.803 2.021 8.979 1.00 0.00 C ATOM 153 CZ TYR A 10 -0.232 1.994 7.728 1.00 0.00 C ATOM 154 OH TYR A 10 0.958 2.649 7.509 1.00 0.00 O ATOM 0 H TYR A 10 -5.953 -1.308 9.105 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.744 -1.918 7.411 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.703 0.325 7.641 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.400 0.332 9.367 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -2.527 0.165 6.093 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -2.434 1.386 10.189 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.394 1.314 5.712 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.317 2.551 9.785 1.00 0.00 H new ATOM 0 HH TYR A 10 1.502 2.136 6.875 1.00 0.00 H new ATOM 164 N ALA A 11 -3.118 -1.885 10.669 1.00 0.00 N ATOM 165 CA ALA A 11 -2.213 -2.324 11.743 1.00 0.00 C ATOM 166 C ALA A 11 -2.205 -3.856 11.840 1.00 0.00 C ATOM 167 O ALA A 11 -1.153 -4.462 12.010 1.00 0.00 O ATOM 168 CB ALA A 11 -2.631 -1.694 13.082 1.00 0.00 C ATOM 0 H ALA A 11 -3.942 -1.392 11.013 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.202 -1.991 11.509 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.953 -2.027 13.868 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.588 -0.608 13.002 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.648 -2.000 13.326 1.00 0.00 H new ATOM 174 N LEU A 12 -3.404 -4.454 11.682 1.00 0.00 N ATOM 175 CA LEU A 12 -3.617 -5.917 11.714 1.00 0.00 C ATOM 176 C LEU A 12 -2.855 -6.594 10.566 1.00 0.00 C ATOM 177 O LEU A 12 -2.312 -7.680 10.742 1.00 0.00 O ATOM 178 CB LEU A 12 -5.138 -6.234 11.621 1.00 0.00 C ATOM 179 CG LEU A 12 -5.565 -7.738 11.670 1.00 0.00 C ATOM 180 CD1 LEU A 12 -5.050 -8.449 12.943 1.00 0.00 C ATOM 181 CD2 LEU A 12 -7.100 -7.874 11.518 1.00 0.00 C ATOM 0 H LEU A 12 -4.264 -3.927 11.526 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.234 -6.309 12.656 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.641 -5.715 12.437 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.515 -5.807 10.691 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.096 -8.242 10.825 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.371 -9.491 12.933 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.961 -8.405 12.969 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.454 -7.953 13.825 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.377 -8.927 11.555 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.595 -7.340 12.329 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.410 -7.450 10.563 1.00 0.00 H new ATOM 193 N ALA A 13 -2.833 -5.922 9.404 1.00 0.00 N ATOM 194 CA ALA A 13 -2.077 -6.362 8.222 1.00 0.00 C ATOM 195 C ALA A 13 -0.568 -6.384 8.521 1.00 0.00 C ATOM 196 O ALA A 13 0.125 -7.347 8.199 1.00 0.00 O ATOM 197 CB ALA A 13 -2.382 -5.456 7.020 1.00 0.00 C ATOM 0 H ALA A 13 -3.344 -5.051 9.258 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.388 -7.376 7.972 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.814 -5.796 6.154 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.448 -5.498 6.794 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.101 -4.430 7.257 1.00 0.00 H new ATOM 203 N GLN A 14 -0.089 -5.325 9.182 1.00 0.00 N ATOM 204 CA GLN A 14 1.320 -5.196 9.604 1.00 0.00 C ATOM 205 C GLN A 14 1.701 -6.285 10.634 1.00 0.00 C ATOM 206 O GLN A 14 2.855 -6.716 10.694 1.00 0.00 O ATOM 207 CB GLN A 14 1.543 -3.781 10.177 1.00 0.00 C ATOM 208 CG GLN A 14 1.301 -2.653 9.152 1.00 0.00 C ATOM 209 CD GLN A 14 1.281 -1.245 9.756 1.00 0.00 C ATOM 210 OE1 GLN A 14 0.878 -1.041 10.900 1.00 0.00 O ATOM 211 NE2 GLN A 14 1.715 -0.266 8.990 1.00 0.00 N ATOM 0 H GLN A 14 -0.667 -4.526 9.443 1.00 0.00 H new ATOM 0 HA GLN A 14 1.968 -5.341 8.740 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.879 -3.635 11.029 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.564 -3.707 10.552 1.00 0.00 H new ATOM 0 HG2 GLN A 14 2.079 -2.698 8.390 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.351 -2.833 8.649 1.00 0.00 H new ATOM 0 HE21 GLN A 14 2.043 -0.465 8.045 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.723 0.691 9.342 1.00 0.00 H new ATOM 220 N GLU A 15 0.709 -6.722 11.428 1.00 0.00 N ATOM 221 CA GLU A 15 0.864 -7.837 12.380 1.00 0.00 C ATOM 222 C GLU A 15 0.941 -9.181 11.621 1.00 0.00 C ATOM 223 O GLU A 15 1.769 -10.029 11.947 1.00 0.00 O ATOM 224 CB GLU A 15 -0.303 -7.846 13.404 1.00 0.00 C ATOM 225 CG GLU A 15 -0.402 -6.555 14.238 1.00 0.00 C ATOM 226 CD GLU A 15 -1.473 -6.591 15.335 1.00 0.00 C ATOM 227 OE1 GLU A 15 -2.679 -6.565 15.016 1.00 0.00 O ATOM 228 OE2 GLU A 15 -1.113 -6.648 16.532 1.00 0.00 O ATOM 0 H GLU A 15 -0.225 -6.312 11.428 1.00 0.00 H new ATOM 0 HA GLU A 15 1.795 -7.700 12.930 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.242 -7.997 12.871 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.178 -8.694 14.077 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.566 -6.359 14.699 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.612 -5.720 13.569 1.00 0.00 H new ATOM 235 N HIS A 16 0.073 -9.349 10.602 1.00 0.00 N ATOM 236 CA HIS A 16 0.075 -10.538 9.712 1.00 0.00 C ATOM 237 C HIS A 16 1.435 -10.712 9.000 1.00 0.00 C ATOM 238 O HIS A 16 1.893 -11.838 8.817 1.00 0.00 O ATOM 239 CB HIS A 16 -1.066 -10.471 8.657 1.00 0.00 C ATOM 240 CG HIS A 16 -2.453 -10.722 9.193 1.00 0.00 C ATOM 241 ND1 HIS A 16 -2.837 -11.917 9.759 1.00 0.00 N ATOM 242 CD2 HIS A 16 -3.549 -9.938 9.225 1.00 0.00 C ATOM 243 CE1 HIS A 16 -4.102 -11.853 10.113 1.00 0.00 C ATOM 244 NE2 HIS A 16 -4.559 -10.660 9.800 1.00 0.00 N ATOM 0 H HIS A 16 -0.650 -8.668 10.370 1.00 0.00 H new ATOM 0 HA HIS A 16 -0.097 -11.404 10.351 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -1.048 -9.487 8.188 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -0.859 -11.201 7.875 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -3.618 -8.923 8.862 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -4.669 -12.645 10.581 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -5.510 -10.328 9.960 1.00 0.00 H new ATOM 253 N LEU A 17 2.069 -9.583 8.623 1.00 0.00 N ATOM 254 CA LEU A 17 3.421 -9.569 8.011 1.00 0.00 C ATOM 255 C LEU A 17 4.459 -10.234 8.938 1.00 0.00 C ATOM 256 O LEU A 17 5.342 -10.969 8.486 1.00 0.00 O ATOM 257 CB LEU A 17 3.857 -8.104 7.688 1.00 0.00 C ATOM 258 CG LEU A 17 3.089 -7.395 6.530 1.00 0.00 C ATOM 259 CD1 LEU A 17 3.498 -5.907 6.383 1.00 0.00 C ATOM 260 CD2 LEU A 17 3.283 -8.161 5.205 1.00 0.00 C ATOM 0 H LEU A 17 1.662 -8.654 8.732 1.00 0.00 H new ATOM 0 HA LEU A 17 3.374 -10.140 7.084 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.742 -7.506 8.592 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.919 -8.109 7.442 1.00 0.00 H new ATOM 0 HG LEU A 17 2.029 -7.406 6.784 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.938 -5.455 5.565 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.279 -5.376 7.310 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.565 -5.842 6.171 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.740 -7.653 4.408 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.344 -8.196 4.957 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.902 -9.177 5.313 1.00 0.00 H new ATOM 272 N LYS A 18 4.320 -9.968 10.238 1.00 0.00 N ATOM 273 CA LYS A 18 5.220 -10.496 11.274 1.00 0.00 C ATOM 274 C LYS A 18 4.899 -11.970 11.595 1.00 0.00 C ATOM 275 O LYS A 18 5.800 -12.761 11.900 1.00 0.00 O ATOM 276 CB LYS A 18 5.109 -9.606 12.534 1.00 0.00 C ATOM 277 CG LYS A 18 5.445 -8.120 12.260 1.00 0.00 C ATOM 278 CD LYS A 18 5.285 -7.220 13.506 1.00 0.00 C ATOM 279 CE LYS A 18 5.593 -5.743 13.205 1.00 0.00 C ATOM 280 NZ LYS A 18 4.684 -5.181 12.175 1.00 0.00 N ATOM 0 H LYS A 18 3.576 -9.376 10.608 1.00 0.00 H new ATOM 0 HA LYS A 18 6.246 -10.472 10.908 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.097 -9.676 12.933 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.781 -9.989 13.302 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.470 -8.047 11.896 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.798 -7.748 11.466 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.267 -7.306 13.885 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.949 -7.574 14.294 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.505 -5.161 14.122 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.625 -5.650 12.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.237 -4.901 11.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.983 -5.899 11.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.194 -4.349 12.561 1.00 0.00 H new ATOM 294 N HIS A 19 3.605 -12.327 11.518 1.00 0.00 N ATOM 295 CA HIS A 19 3.113 -13.704 11.767 1.00 0.00 C ATOM 296 C HIS A 19 3.126 -14.590 10.494 1.00 0.00 C ATOM 297 O HIS A 19 2.456 -15.630 10.470 1.00 0.00 O ATOM 298 CB HIS A 19 1.677 -13.641 12.358 1.00 0.00 C ATOM 299 CG HIS A 19 1.603 -13.168 13.791 1.00 0.00 C ATOM 300 ND1 HIS A 19 1.193 -13.978 14.826 1.00 0.00 N ATOM 301 CD2 HIS A 19 1.858 -11.961 14.351 1.00 0.00 C ATOM 302 CE1 HIS A 19 1.204 -13.296 15.951 1.00 0.00 C ATOM 303 NE2 HIS A 19 1.602 -12.067 15.692 1.00 0.00 N ATOM 0 H HIS A 19 2.863 -11.669 11.280 1.00 0.00 H new ATOM 0 HA HIS A 19 3.796 -14.169 12.478 1.00 0.00 H new ATOM 0 HB2 HIS A 19 1.073 -12.977 11.739 1.00 0.00 H new ATOM 0 HB3 HIS A 19 1.229 -14.632 12.294 1.00 0.00 H new ATOM 0 HD2 HIS A 19 2.201 -11.077 13.834 1.00 0.00 H new ATOM 0 HE1 HIS A 19 0.932 -13.679 16.924 1.00 0.00 H new ATOM 0 HE2 HIS A 19 1.703 -11.318 16.377 1.00 0.00 H new ATOM 312 N ASP A 20 3.872 -14.156 9.437 1.00 0.00 N ATOM 313 CA ASP A 20 4.096 -14.939 8.174 1.00 0.00 C ATOM 314 C ASP A 20 2.816 -15.013 7.276 1.00 0.00 C ATOM 315 O ASP A 20 2.840 -15.568 6.172 1.00 0.00 O ATOM 316 CB ASP A 20 4.673 -16.363 8.501 1.00 0.00 C ATOM 317 CG ASP A 20 5.063 -17.211 7.270 1.00 0.00 C ATOM 318 OD1 ASP A 20 6.071 -16.884 6.610 1.00 0.00 O ATOM 319 OD2 ASP A 20 4.363 -18.202 6.949 1.00 0.00 O ATOM 0 H ASP A 20 4.339 -13.249 9.432 1.00 0.00 H new ATOM 0 HA ASP A 20 4.840 -14.402 7.585 1.00 0.00 H new ATOM 0 HB2 ASP A 20 5.552 -16.245 9.135 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.933 -16.913 9.082 1.00 0.00 H new ATOM 324 N ASN A 21 1.715 -14.398 7.740 1.00 0.00 N ATOM 325 CA ASN A 21 0.421 -14.341 7.018 1.00 0.00 C ATOM 326 C ASN A 21 0.386 -13.122 6.067 1.00 0.00 C ATOM 327 O ASN A 21 -0.562 -12.327 6.087 1.00 0.00 O ATOM 328 CB ASN A 21 -0.749 -14.282 8.049 1.00 0.00 C ATOM 329 CG ASN A 21 -0.902 -15.551 8.895 1.00 0.00 C ATOM 330 OD1 ASN A 21 -1.186 -15.476 10.092 1.00 0.00 O ATOM 331 ND2 ASN A 21 -0.813 -16.722 8.274 1.00 0.00 N ATOM 0 H ASN A 21 1.693 -13.918 8.640 1.00 0.00 H new ATOM 0 HA ASN A 21 0.307 -15.239 6.411 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.591 -13.432 8.713 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.681 -14.100 7.514 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.981 -17.586 8.789 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.576 -16.757 7.282 1.00 0.00 H new ATOM 338 N ALA A 22 1.406 -13.022 5.193 1.00 0.00 N ATOM 339 CA ALA A 22 1.599 -11.864 4.302 1.00 0.00 C ATOM 340 C ALA A 22 0.455 -11.723 3.274 1.00 0.00 C ATOM 341 O ALA A 22 0.100 -10.609 2.919 1.00 0.00 O ATOM 342 CB ALA A 22 2.961 -11.962 3.598 1.00 0.00 C ATOM 0 H ALA A 22 2.119 -13.743 5.086 1.00 0.00 H new ATOM 0 HA ALA A 22 1.581 -10.965 4.918 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.094 -11.102 2.942 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.756 -11.976 4.344 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.001 -12.878 3.008 1.00 0.00 H new ATOM 348 N SER A 23 -0.108 -12.857 2.803 1.00 0.00 N ATOM 349 CA SER A 23 -1.283 -12.848 1.899 1.00 0.00 C ATOM 350 C SER A 23 -2.548 -12.289 2.594 1.00 0.00 C ATOM 351 O SER A 23 -3.393 -11.680 1.934 1.00 0.00 O ATOM 352 CB SER A 23 -1.559 -14.258 1.340 1.00 0.00 C ATOM 353 OG SER A 23 -2.679 -14.279 0.455 1.00 0.00 O ATOM 0 H SER A 23 0.231 -13.791 3.033 1.00 0.00 H new ATOM 0 HA SER A 23 -1.041 -12.182 1.071 1.00 0.00 H new ATOM 0 HB2 SER A 23 -0.675 -14.617 0.813 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.739 -14.946 2.166 1.00 0.00 H new ATOM 0 HG SER A 23 -2.817 -15.191 0.123 1.00 0.00 H new ATOM 359 N ARG A 24 -2.679 -12.497 3.923 1.00 0.00 N ATOM 360 CA ARG A 24 -3.798 -11.930 4.714 1.00 0.00 C ATOM 361 C ARG A 24 -3.595 -10.423 4.915 1.00 0.00 C ATOM 362 O ARG A 24 -4.557 -9.656 4.958 1.00 0.00 O ATOM 363 CB ARG A 24 -3.917 -12.632 6.091 1.00 0.00 C ATOM 364 CG ARG A 24 -4.163 -14.149 6.020 1.00 0.00 C ATOM 365 CD ARG A 24 -5.419 -14.520 5.215 1.00 0.00 C ATOM 366 NE ARG A 24 -5.588 -15.986 5.123 1.00 0.00 N ATOM 367 CZ ARG A 24 -6.133 -16.647 4.088 1.00 0.00 C ATOM 368 NH1 ARG A 24 -6.560 -15.993 3.012 1.00 0.00 N ATOM 369 NH2 ARG A 24 -6.246 -17.966 4.137 1.00 0.00 N ATOM 0 H ARG A 24 -2.024 -13.054 4.472 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.722 -12.098 4.160 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -3.002 -12.452 6.656 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.732 -12.171 6.649 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.295 -14.631 5.570 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.258 -14.543 7.032 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.298 -14.080 5.686 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.349 -14.097 4.213 1.00 0.00 H new ATOM 0 HE ARG A 24 -5.263 -16.543 5.913 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.476 -14.978 2.966 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.972 -16.507 2.233 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.920 -18.476 4.958 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.659 -18.472 3.354 1.00 0.00 H new ATOM 383 N ALA A 25 -2.315 -10.031 5.039 1.00 0.00 N ATOM 384 CA ALA A 25 -1.901 -8.623 5.112 1.00 0.00 C ATOM 385 C ALA A 25 -2.208 -7.913 3.788 1.00 0.00 C ATOM 386 O ALA A 25 -2.728 -6.796 3.769 1.00 0.00 O ATOM 387 CB ALA A 25 -0.403 -8.535 5.422 1.00 0.00 C ATOM 0 H ALA A 25 -1.536 -10.687 5.091 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.458 -8.132 5.910 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.103 -7.488 5.475 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.200 -9.019 6.377 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.161 -9.035 4.635 1.00 0.00 H new ATOM 393 N LEU A 26 -1.923 -8.640 2.695 1.00 0.00 N ATOM 394 CA LEU A 26 -2.120 -8.183 1.313 1.00 0.00 C ATOM 395 C LEU A 26 -3.611 -7.908 1.093 1.00 0.00 C ATOM 396 O LEU A 26 -3.995 -6.850 0.605 1.00 0.00 O ATOM 397 CB LEU A 26 -1.616 -9.287 0.333 1.00 0.00 C ATOM 398 CG LEU A 26 -1.468 -8.888 -1.168 1.00 0.00 C ATOM 399 CD1 LEU A 26 -0.274 -7.936 -1.382 1.00 0.00 C ATOM 400 CD2 LEU A 26 -1.347 -10.138 -2.070 1.00 0.00 C ATOM 0 H LEU A 26 -1.540 -9.584 2.751 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.557 -7.268 1.129 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.647 -9.638 0.687 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.302 -10.132 0.393 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.374 -8.354 -1.455 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.199 -7.678 -2.438 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.422 -7.029 -0.796 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.645 -8.428 -1.063 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.245 -9.828 -3.110 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.470 -10.715 -1.776 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.240 -10.753 -1.961 1.00 0.00 H new ATOM 412 N ALA A 27 -4.420 -8.886 1.530 1.00 0.00 N ATOM 413 CA ALA A 27 -5.880 -8.850 1.469 1.00 0.00 C ATOM 414 C ALA A 27 -6.478 -7.670 2.266 1.00 0.00 C ATOM 415 O ALA A 27 -7.418 -7.038 1.796 1.00 0.00 O ATOM 416 CB ALA A 27 -6.448 -10.181 1.972 1.00 0.00 C ATOM 0 H ALA A 27 -4.061 -9.745 1.946 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.163 -8.698 0.427 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.537 -10.153 1.926 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.079 -10.994 1.346 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.133 -10.345 3.002 1.00 0.00 H new ATOM 422 N LEU A 28 -5.948 -7.396 3.478 1.00 0.00 N ATOM 423 CA LEU A 28 -6.438 -6.280 4.332 1.00 0.00 C ATOM 424 C LEU A 28 -6.102 -4.903 3.747 1.00 0.00 C ATOM 425 O LEU A 28 -6.853 -3.942 3.950 1.00 0.00 O ATOM 426 CB LEU A 28 -5.889 -6.386 5.771 1.00 0.00 C ATOM 427 CG LEU A 28 -6.472 -7.540 6.633 1.00 0.00 C ATOM 428 CD1 LEU A 28 -5.817 -7.553 8.020 1.00 0.00 C ATOM 429 CD2 LEU A 28 -8.017 -7.463 6.743 1.00 0.00 C ATOM 0 H LEU A 28 -5.182 -7.928 3.891 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.523 -6.375 4.360 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.807 -6.507 5.719 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.080 -5.443 6.283 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.240 -8.478 6.130 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.235 -8.367 8.612 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.742 -7.697 7.913 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.008 -6.604 8.521 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.380 -8.289 7.354 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.302 -6.518 7.204 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.456 -7.528 5.748 1.00 0.00 H new ATOM 441 N PHE A 29 -4.966 -4.812 3.055 1.00 0.00 N ATOM 442 CA PHE A 29 -4.608 -3.607 2.304 1.00 0.00 C ATOM 443 C PHE A 29 -5.507 -3.472 1.044 1.00 0.00 C ATOM 444 O PHE A 29 -5.926 -2.378 0.702 1.00 0.00 O ATOM 445 CB PHE A 29 -3.106 -3.602 1.929 1.00 0.00 C ATOM 446 CG PHE A 29 -2.114 -3.468 3.097 1.00 0.00 C ATOM 447 CD1 PHE A 29 -2.288 -2.490 4.073 1.00 0.00 C ATOM 448 CD2 PHE A 29 -1.001 -4.312 3.207 1.00 0.00 C ATOM 449 CE1 PHE A 29 -1.393 -2.363 5.122 1.00 0.00 C ATOM 450 CE2 PHE A 29 -0.108 -4.185 4.255 1.00 0.00 C ATOM 451 CZ PHE A 29 -0.307 -3.209 5.214 1.00 0.00 C ATOM 0 H PHE A 29 -4.276 -5.561 2.999 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.782 -2.741 2.943 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.883 -4.526 1.395 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.929 -2.781 1.234 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.133 -1.821 4.011 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.838 -5.075 2.460 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.546 -1.599 5.870 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.743 -4.847 4.324 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.388 -3.109 6.035 1.00 0.00 H new ATOM 461 N GLU A 30 -5.827 -4.598 0.378 1.00 0.00 N ATOM 462 CA GLU A 30 -6.790 -4.620 -0.758 1.00 0.00 C ATOM 463 C GLU A 30 -8.239 -4.339 -0.282 1.00 0.00 C ATOM 464 O GLU A 30 -9.063 -3.841 -1.051 1.00 0.00 O ATOM 465 CB GLU A 30 -6.698 -5.975 -1.515 1.00 0.00 C ATOM 466 CG GLU A 30 -5.338 -6.214 -2.208 1.00 0.00 C ATOM 467 CD GLU A 30 -5.256 -7.575 -2.919 1.00 0.00 C ATOM 468 OE1 GLU A 30 -4.890 -8.578 -2.271 1.00 0.00 O ATOM 469 OE2 GLU A 30 -5.584 -7.648 -4.126 1.00 0.00 O ATOM 0 H GLU A 30 -5.435 -5.512 0.603 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.519 -3.821 -1.448 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.884 -6.786 -0.811 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.489 -6.016 -2.264 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.162 -5.420 -2.934 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.542 -6.150 -1.466 1.00 0.00 H new ATOM 476 N GLU A 31 -8.508 -4.631 1.011 1.00 0.00 N ATOM 477 CA GLU A 31 -9.781 -4.325 1.704 1.00 0.00 C ATOM 478 C GLU A 31 -9.873 -2.809 1.920 1.00 0.00 C ATOM 479 O GLU A 31 -10.924 -2.202 1.722 1.00 0.00 O ATOM 480 CB GLU A 31 -9.823 -5.098 3.068 1.00 0.00 C ATOM 481 CG GLU A 31 -10.893 -4.657 4.096 1.00 0.00 C ATOM 482 CD GLU A 31 -12.351 -4.870 3.647 1.00 0.00 C ATOM 483 OE1 GLU A 31 -12.676 -5.958 3.148 1.00 0.00 O ATOM 484 OE2 GLU A 31 -13.190 -3.972 3.857 1.00 0.00 O ATOM 0 H GLU A 31 -7.831 -5.096 1.615 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.634 -4.644 1.105 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.976 -6.156 2.853 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.844 -5.007 3.539 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.731 -5.204 5.025 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.748 -3.600 4.319 1.00 0.00 H new ATOM 491 N LEU A 32 -8.735 -2.225 2.321 1.00 0.00 N ATOM 492 CA LEU A 32 -8.563 -0.776 2.453 1.00 0.00 C ATOM 493 C LEU A 32 -8.812 -0.062 1.108 1.00 0.00 C ATOM 494 O LEU A 32 -9.552 0.891 1.072 1.00 0.00 O ATOM 495 CB LEU A 32 -7.139 -0.449 2.983 1.00 0.00 C ATOM 496 CG LEU A 32 -6.919 -0.575 4.518 1.00 0.00 C ATOM 497 CD1 LEU A 32 -5.421 -0.670 4.889 1.00 0.00 C ATOM 498 CD2 LEU A 32 -7.591 0.602 5.250 1.00 0.00 C ATOM 0 H LEU A 32 -7.899 -2.755 2.565 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.299 -0.411 3.170 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.430 -1.108 2.482 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.891 0.570 2.686 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.384 -1.507 4.841 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.319 -0.756 5.971 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.983 -1.547 4.412 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.904 0.226 4.546 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.430 0.502 6.323 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.158 1.541 4.904 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.661 0.597 5.042 1.00 0.00 H new ATOM 510 N VAL A 33 -8.189 -0.546 0.009 1.00 0.00 N ATOM 511 CA VAL A 33 -8.323 0.079 -1.336 1.00 0.00 C ATOM 512 C VAL A 33 -9.797 0.094 -1.813 1.00 0.00 C ATOM 513 O VAL A 33 -10.310 1.144 -2.219 1.00 0.00 O ATOM 514 CB VAL A 33 -7.416 -0.640 -2.422 1.00 0.00 C ATOM 515 CG1 VAL A 33 -7.576 -0.015 -3.833 1.00 0.00 C ATOM 516 CG2 VAL A 33 -5.931 -0.628 -2.006 1.00 0.00 C ATOM 0 H VAL A 33 -7.586 -1.369 0.023 1.00 0.00 H new ATOM 0 HA VAL A 33 -7.978 1.107 -1.230 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.761 -1.673 -2.475 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.935 -0.542 -4.539 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.615 -0.100 -4.153 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.291 1.037 -3.800 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.335 -1.128 -2.770 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.592 0.402 -1.898 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.815 -1.150 -1.056 1.00 0.00 H new ATOM 526 N GLU A 34 -10.459 -1.078 -1.768 1.00 0.00 N ATOM 527 CA GLU A 34 -11.843 -1.240 -2.272 1.00 0.00 C ATOM 528 C GLU A 34 -12.892 -0.390 -1.496 1.00 0.00 C ATOM 529 O GLU A 34 -13.786 0.195 -2.122 1.00 0.00 O ATOM 530 CB GLU A 34 -12.262 -2.744 -2.286 1.00 0.00 C ATOM 531 CG GLU A 34 -12.312 -3.406 -0.900 1.00 0.00 C ATOM 532 CD GLU A 34 -12.802 -4.858 -0.910 1.00 0.00 C ATOM 533 OE1 GLU A 34 -11.973 -5.773 -1.094 1.00 0.00 O ATOM 534 OE2 GLU A 34 -14.020 -5.092 -0.744 1.00 0.00 O ATOM 0 H GLU A 34 -10.057 -1.934 -1.386 1.00 0.00 H new ATOM 0 HA GLU A 34 -11.833 -0.860 -3.294 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -13.244 -2.830 -2.751 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -11.563 -3.297 -2.913 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.315 -3.375 -0.459 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -12.965 -2.819 -0.254 1.00 0.00 H new ATOM 541 N THR A 35 -12.792 -0.315 -0.145 1.00 0.00 N ATOM 542 CA THR A 35 -13.829 0.343 0.694 1.00 0.00 C ATOM 543 C THR A 35 -13.452 1.793 1.053 1.00 0.00 C ATOM 544 O THR A 35 -14.313 2.680 1.086 1.00 0.00 O ATOM 545 CB THR A 35 -14.078 -0.457 2.013 1.00 0.00 C ATOM 546 OG1 THR A 35 -12.866 -0.543 2.769 1.00 0.00 O ATOM 547 CG2 THR A 35 -14.591 -1.869 1.737 1.00 0.00 C ATOM 0 H THR A 35 -12.010 -0.699 0.385 1.00 0.00 H new ATOM 0 HA THR A 35 -14.740 0.358 0.096 1.00 0.00 H new ATOM 0 HB THR A 35 -14.840 0.080 2.577 1.00 0.00 H new ATOM 0 HG1 THR A 35 -12.243 -1.153 2.321 1.00 0.00 H new ATOM 0 HG21 THR A 35 -14.750 -2.389 2.681 1.00 0.00 H new ATOM 0 HG22 THR A 35 -15.532 -1.814 1.190 1.00 0.00 H new ATOM 0 HG23 THR A 35 -13.857 -2.413 1.143 1.00 0.00 H new ATOM 555 N ASP A 36 -12.151 2.016 1.298 1.00 0.00 N ATOM 556 CA ASP A 36 -11.589 3.299 1.797 1.00 0.00 C ATOM 557 C ASP A 36 -10.409 3.726 0.888 1.00 0.00 C ATOM 558 O ASP A 36 -9.240 3.678 1.310 1.00 0.00 O ATOM 559 CB ASP A 36 -11.123 3.160 3.283 1.00 0.00 C ATOM 560 CG ASP A 36 -12.285 2.974 4.267 1.00 0.00 C ATOM 561 OD1 ASP A 36 -12.721 1.828 4.494 1.00 0.00 O ATOM 562 OD2 ASP A 36 -12.779 3.978 4.824 1.00 0.00 O ATOM 0 H ASP A 36 -11.439 1.300 1.154 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.362 4.066 1.765 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.446 2.310 3.366 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.557 4.048 3.564 1.00 0.00 H new ATOM 567 N PRO A 37 -10.691 4.166 -0.385 1.00 0.00 N ATOM 568 CA PRO A 37 -9.643 4.449 -1.400 1.00 0.00 C ATOM 569 C PRO A 37 -8.802 5.704 -1.063 1.00 0.00 C ATOM 570 O PRO A 37 -7.766 5.952 -1.678 1.00 0.00 O ATOM 571 CB PRO A 37 -10.450 4.645 -2.723 1.00 0.00 C ATOM 572 CG PRO A 37 -11.854 4.212 -2.404 1.00 0.00 C ATOM 573 CD PRO A 37 -12.032 4.472 -0.930 1.00 0.00 C ATOM 0 HA PRO A 37 -8.911 3.644 -1.458 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.424 5.685 -3.048 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.029 4.048 -3.532 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.581 4.773 -2.992 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.002 3.157 -2.637 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -12.324 5.503 -0.733 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -12.802 3.834 -0.496 1.00 0.00 H new ATOM 581 N ASP A 38 -9.268 6.454 -0.066 1.00 0.00 N ATOM 582 CA ASP A 38 -8.659 7.717 0.369 1.00 0.00 C ATOM 583 C ASP A 38 -7.444 7.460 1.272 1.00 0.00 C ATOM 584 O ASP A 38 -6.545 8.308 1.358 1.00 0.00 O ATOM 585 CB ASP A 38 -9.708 8.562 1.123 1.00 0.00 C ATOM 586 CG ASP A 38 -10.952 8.850 0.272 1.00 0.00 C ATOM 587 OD1 ASP A 38 -11.896 8.022 0.267 1.00 0.00 O ATOM 588 OD2 ASP A 38 -10.992 9.885 -0.420 1.00 0.00 O ATOM 0 H ASP A 38 -10.095 6.199 0.474 1.00 0.00 H new ATOM 0 HA ASP A 38 -8.317 8.259 -0.512 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -10.006 8.039 2.032 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -9.257 9.505 1.432 1.00 0.00 H new ATOM 593 N TYR A 39 -7.448 6.301 1.967 1.00 0.00 N ATOM 594 CA TYR A 39 -6.382 5.924 2.914 1.00 0.00 C ATOM 595 C TYR A 39 -5.051 5.701 2.150 1.00 0.00 C ATOM 596 O TYR A 39 -4.837 4.651 1.539 1.00 0.00 O ATOM 597 CB TYR A 39 -6.790 4.658 3.735 1.00 0.00 C ATOM 598 CG TYR A 39 -6.003 4.476 5.046 1.00 0.00 C ATOM 599 CD1 TYR A 39 -4.797 3.777 5.082 1.00 0.00 C ATOM 600 CD2 TYR A 39 -6.470 5.005 6.249 1.00 0.00 C ATOM 601 CE1 TYR A 39 -4.093 3.614 6.252 1.00 0.00 C ATOM 602 CE2 TYR A 39 -5.768 4.842 7.425 1.00 0.00 C ATOM 603 CZ TYR A 39 -4.585 4.145 7.422 1.00 0.00 C ATOM 604 OH TYR A 39 -3.889 3.981 8.596 1.00 0.00 O ATOM 0 H TYR A 39 -8.189 5.605 1.886 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.236 6.738 3.624 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -7.853 4.717 3.968 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.648 3.774 3.113 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.406 3.353 4.169 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -7.400 5.553 6.260 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.159 3.072 6.252 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -6.148 5.261 8.345 1.00 0.00 H new ATOM 0 HH TYR A 39 -3.416 3.123 8.579 1.00 0.00 H new ATOM 614 N VAL A 40 -4.183 6.723 2.191 1.00 0.00 N ATOM 615 CA VAL A 40 -2.906 6.767 1.440 1.00 0.00 C ATOM 616 C VAL A 40 -1.893 5.724 1.968 1.00 0.00 C ATOM 617 O VAL A 40 -1.144 5.119 1.185 1.00 0.00 O ATOM 618 CB VAL A 40 -2.283 8.213 1.509 1.00 0.00 C ATOM 619 CG1 VAL A 40 -0.944 8.306 0.749 1.00 0.00 C ATOM 620 CG2 VAL A 40 -3.286 9.270 0.983 1.00 0.00 C ATOM 0 H VAL A 40 -4.345 7.558 2.754 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.126 6.518 0.402 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.074 8.422 2.558 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.553 9.321 0.824 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.229 7.608 1.185 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.103 8.055 -0.300 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.834 10.260 1.040 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.540 9.046 -0.053 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.190 9.248 1.591 1.00 0.00 H new ATOM 630 N GLY A 41 -1.921 5.500 3.301 1.00 0.00 N ATOM 631 CA GLY A 41 -0.992 4.580 3.981 1.00 0.00 C ATOM 632 C GLY A 41 -1.081 3.149 3.482 1.00 0.00 C ATOM 633 O GLY A 41 -0.101 2.394 3.547 1.00 0.00 O ATOM 0 H GLY A 41 -2.586 5.951 3.930 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.028 4.941 3.845 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.196 4.596 5.052 1.00 0.00 H new ATOM 637 N THR A 42 -2.270 2.791 2.985 1.00 0.00 N ATOM 638 CA THR A 42 -2.536 1.511 2.338 1.00 0.00 C ATOM 639 C THR A 42 -1.563 1.244 1.183 1.00 0.00 C ATOM 640 O THR A 42 -0.798 0.292 1.221 1.00 0.00 O ATOM 641 CB THR A 42 -3.977 1.515 1.755 1.00 0.00 C ATOM 642 OG1 THR A 42 -4.921 1.779 2.790 1.00 0.00 O ATOM 643 CG2 THR A 42 -4.308 0.196 1.055 1.00 0.00 C ATOM 0 H THR A 42 -3.088 3.399 3.024 1.00 0.00 H new ATOM 0 HA THR A 42 -2.415 0.733 3.092 1.00 0.00 H new ATOM 0 HB THR A 42 -4.033 2.306 1.007 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.725 2.185 2.404 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.323 0.238 0.661 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.607 0.033 0.236 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.229 -0.624 1.768 1.00 0.00 H new ATOM 651 N TYR A 43 -1.586 2.162 0.209 1.00 0.00 N ATOM 652 CA TYR A 43 -0.996 1.967 -1.119 1.00 0.00 C ATOM 653 C TYR A 43 0.519 1.766 -1.067 1.00 0.00 C ATOM 654 O TYR A 43 1.063 0.943 -1.817 1.00 0.00 O ATOM 655 CB TYR A 43 -1.372 3.152 -2.027 1.00 0.00 C ATOM 656 CG TYR A 43 -2.883 3.242 -2.288 1.00 0.00 C ATOM 657 CD1 TYR A 43 -3.468 2.534 -3.339 1.00 0.00 C ATOM 658 CD2 TYR A 43 -3.722 4.011 -1.478 1.00 0.00 C ATOM 659 CE1 TYR A 43 -4.821 2.599 -3.574 1.00 0.00 C ATOM 660 CE2 TYR A 43 -5.079 4.075 -1.716 1.00 0.00 C ATOM 661 CZ TYR A 43 -5.619 3.364 -2.764 1.00 0.00 C ATOM 662 OH TYR A 43 -6.966 3.435 -3.013 1.00 0.00 O ATOM 0 H TYR A 43 -2.023 3.076 0.325 1.00 0.00 H new ATOM 0 HA TYR A 43 -1.406 1.047 -1.536 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.031 4.079 -1.567 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.848 3.056 -2.978 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.847 1.925 -3.979 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -3.301 4.565 -0.652 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -5.254 2.048 -4.396 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -5.714 4.679 -1.084 1.00 0.00 H new ATOM 0 HH TYR A 43 -7.308 4.305 -2.719 1.00 0.00 H new ATOM 672 N TYR A 44 1.185 2.542 -0.204 1.00 0.00 N ATOM 673 CA TYR A 44 2.613 2.373 0.071 1.00 0.00 C ATOM 674 C TYR A 44 2.920 0.946 0.575 1.00 0.00 C ATOM 675 O TYR A 44 3.626 0.196 -0.092 1.00 0.00 O ATOM 676 CB TYR A 44 3.096 3.448 1.074 1.00 0.00 C ATOM 677 CG TYR A 44 4.607 3.421 1.346 1.00 0.00 C ATOM 678 CD1 TYR A 44 5.527 3.335 0.293 1.00 0.00 C ATOM 679 CD2 TYR A 44 5.116 3.478 2.646 1.00 0.00 C ATOM 680 CE1 TYR A 44 6.884 3.310 0.534 1.00 0.00 C ATOM 681 CE2 TYR A 44 6.473 3.454 2.884 1.00 0.00 C ATOM 682 CZ TYR A 44 7.350 3.371 1.832 1.00 0.00 C ATOM 683 OH TYR A 44 8.709 3.351 2.077 1.00 0.00 O ATOM 0 H TYR A 44 0.750 3.301 0.320 1.00 0.00 H new ATOM 0 HA TYR A 44 3.163 2.508 -0.860 1.00 0.00 H new ATOM 0 HB2 TYR A 44 2.824 4.432 0.693 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.566 3.313 2.017 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.167 3.288 -0.724 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.433 3.542 3.480 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.580 3.243 -0.289 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.846 3.500 3.897 1.00 0.00 H new ATOM 0 HH TYR A 44 8.868 3.402 3.043 1.00 0.00 H new ATOM 693 N HIS A 45 2.325 0.577 1.722 1.00 0.00 N ATOM 694 CA HIS A 45 2.581 -0.721 2.404 1.00 0.00 C ATOM 695 C HIS A 45 2.151 -1.934 1.547 1.00 0.00 C ATOM 696 O HIS A 45 2.799 -2.990 1.577 1.00 0.00 O ATOM 697 CB HIS A 45 1.875 -0.745 3.785 1.00 0.00 C ATOM 698 CG HIS A 45 2.473 0.207 4.792 1.00 0.00 C ATOM 699 ND1 HIS A 45 3.103 -0.216 5.942 1.00 0.00 N ATOM 700 CD2 HIS A 45 2.560 1.558 4.799 1.00 0.00 C ATOM 701 CE1 HIS A 45 3.544 0.833 6.606 1.00 0.00 C ATOM 702 NE2 HIS A 45 3.228 1.915 5.936 1.00 0.00 N ATOM 0 H HIS A 45 1.650 1.166 2.210 1.00 0.00 H new ATOM 0 HA HIS A 45 3.658 -0.807 2.549 1.00 0.00 H new ATOM 0 HB2 HIS A 45 0.822 -0.500 3.648 1.00 0.00 H new ATOM 0 HB3 HIS A 45 1.917 -1.757 4.187 1.00 0.00 H new ATOM 0 HD2 HIS A 45 2.173 2.229 4.046 1.00 0.00 H new ATOM 0 HE1 HIS A 45 4.077 0.806 7.545 1.00 0.00 H new ATOM 0 HE2 HIS A 45 3.446 2.871 6.219 1.00 0.00 H new ATOM 711 N LEU A 46 1.082 -1.748 0.762 1.00 0.00 N ATOM 712 CA LEU A 46 0.527 -2.782 -0.131 1.00 0.00 C ATOM 713 C LEU A 46 1.482 -3.033 -1.304 1.00 0.00 C ATOM 714 O LEU A 46 1.732 -4.184 -1.682 1.00 0.00 O ATOM 715 CB LEU A 46 -0.875 -2.343 -0.644 1.00 0.00 C ATOM 716 CG LEU A 46 -1.601 -3.292 -1.661 1.00 0.00 C ATOM 717 CD1 LEU A 46 -1.699 -4.741 -1.145 1.00 0.00 C ATOM 718 CD2 LEU A 46 -3.000 -2.746 -2.020 1.00 0.00 C ATOM 0 H LEU A 46 0.570 -0.867 0.726 1.00 0.00 H new ATOM 0 HA LEU A 46 0.415 -3.713 0.425 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.526 -2.215 0.221 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.771 -1.364 -1.112 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.991 -3.314 -2.564 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.209 -5.357 -1.885 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.697 -5.135 -0.974 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.260 -4.757 -0.211 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.484 -3.421 -2.726 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.605 -2.672 -1.116 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.900 -1.759 -2.471 1.00 0.00 H new ATOM 730 N GLY A 47 2.028 -1.931 -1.849 1.00 0.00 N ATOM 731 CA GLY A 47 2.971 -1.991 -2.952 1.00 0.00 C ATOM 732 C GLY A 47 4.301 -2.599 -2.534 1.00 0.00 C ATOM 733 O GLY A 47 4.885 -3.383 -3.282 1.00 0.00 O ATOM 0 H GLY A 47 1.822 -0.984 -1.531 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.543 -2.580 -3.763 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.138 -0.987 -3.341 1.00 0.00 H new ATOM 737 N LYS A 48 4.765 -2.237 -1.315 1.00 0.00 N ATOM 738 CA LYS A 48 6.014 -2.773 -0.728 1.00 0.00 C ATOM 739 C LYS A 48 5.936 -4.306 -0.629 1.00 0.00 C ATOM 740 O LYS A 48 6.909 -5.019 -0.909 1.00 0.00 O ATOM 741 CB LYS A 48 6.278 -2.184 0.695 1.00 0.00 C ATOM 742 CG LYS A 48 6.527 -0.659 0.781 1.00 0.00 C ATOM 743 CD LYS A 48 7.705 -0.160 -0.085 1.00 0.00 C ATOM 744 CE LYS A 48 9.045 -0.839 0.228 1.00 0.00 C ATOM 745 NZ LYS A 48 9.481 -0.639 1.630 1.00 0.00 N ATOM 0 H LYS A 48 4.285 -1.567 -0.713 1.00 0.00 H new ATOM 0 HA LYS A 48 6.835 -2.481 -1.383 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.423 -2.425 1.327 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.143 -2.694 1.119 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.620 -0.136 0.477 1.00 0.00 H new ATOM 0 HG3 LYS A 48 6.716 -0.391 1.821 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.464 -0.323 -1.135 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.814 0.916 0.054 1.00 0.00 H new ATOM 0 HE2 LYS A 48 8.960 -1.907 0.028 1.00 0.00 H new ATOM 0 HE3 LYS A 48 9.810 -0.449 -0.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.391 -1.119 1.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.591 0.378 1.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.768 -1.035 2.275 1.00 0.00 H new ATOM 759 N LEU A 49 4.745 -4.786 -0.237 1.00 0.00 N ATOM 760 CA LEU A 49 4.458 -6.215 -0.084 1.00 0.00 C ATOM 761 C LEU A 49 4.368 -6.918 -1.460 1.00 0.00 C ATOM 762 O LEU A 49 4.802 -8.068 -1.592 1.00 0.00 O ATOM 763 CB LEU A 49 3.163 -6.388 0.744 1.00 0.00 C ATOM 764 CG LEU A 49 2.703 -7.850 1.038 1.00 0.00 C ATOM 765 CD1 LEU A 49 3.843 -8.718 1.629 1.00 0.00 C ATOM 766 CD2 LEU A 49 1.472 -7.837 1.965 1.00 0.00 C ATOM 0 H LEU A 49 3.950 -4.186 -0.016 1.00 0.00 H new ATOM 0 HA LEU A 49 5.277 -6.694 0.452 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.299 -5.877 1.697 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.355 -5.877 0.221 1.00 0.00 H new ATOM 0 HG LEU A 49 2.427 -8.310 0.089 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.473 -9.726 1.816 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.672 -8.761 0.922 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.187 -8.278 2.565 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.157 -8.861 2.166 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.729 -7.346 2.904 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.659 -7.295 1.482 1.00 0.00 H new ATOM 778 N TYR A 50 3.812 -6.219 -2.474 1.00 0.00 N ATOM 779 CA TYR A 50 3.814 -6.700 -3.875 1.00 0.00 C ATOM 780 C TYR A 50 5.251 -6.959 -4.376 1.00 0.00 C ATOM 781 O TYR A 50 5.518 -8.006 -4.953 1.00 0.00 O ATOM 782 CB TYR A 50 3.078 -5.708 -4.832 1.00 0.00 C ATOM 783 CG TYR A 50 1.544 -5.799 -4.820 1.00 0.00 C ATOM 784 CD1 TYR A 50 0.901 -7.034 -4.926 1.00 0.00 C ATOM 785 CD2 TYR A 50 0.742 -4.661 -4.727 1.00 0.00 C ATOM 786 CE1 TYR A 50 -0.478 -7.127 -4.936 1.00 0.00 C ATOM 787 CE2 TYR A 50 -0.633 -4.757 -4.735 1.00 0.00 C ATOM 788 CZ TYR A 50 -1.238 -5.989 -4.835 1.00 0.00 C ATOM 789 OH TYR A 50 -2.613 -6.078 -4.828 1.00 0.00 O ATOM 0 H TYR A 50 3.354 -5.316 -2.348 1.00 0.00 H new ATOM 0 HA TYR A 50 3.268 -7.643 -3.885 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.367 -4.691 -4.567 1.00 0.00 H new ATOM 0 HB3 TYR A 50 3.428 -5.884 -5.849 1.00 0.00 H new ATOM 0 HD1 TYR A 50 1.493 -7.934 -5.002 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.206 -3.689 -4.647 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.956 -8.092 -5.023 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -1.236 -3.864 -4.663 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.999 -5.180 -4.749 1.00 0.00 H new ATOM 799 N GLU A 51 6.168 -6.011 -4.115 1.00 0.00 N ATOM 800 CA GLU A 51 7.603 -6.127 -4.499 1.00 0.00 C ATOM 801 C GLU A 51 8.243 -7.412 -3.917 1.00 0.00 C ATOM 802 O GLU A 51 9.059 -8.069 -4.576 1.00 0.00 O ATOM 803 CB GLU A 51 8.385 -4.883 -4.003 1.00 0.00 C ATOM 804 CG GLU A 51 7.867 -3.535 -4.542 1.00 0.00 C ATOM 805 CD GLU A 51 8.569 -2.289 -3.962 1.00 0.00 C ATOM 806 OE1 GLU A 51 9.216 -2.375 -2.893 1.00 0.00 O ATOM 807 OE2 GLU A 51 8.466 -1.209 -4.570 1.00 0.00 O ATOM 0 H GLU A 51 5.945 -5.140 -3.633 1.00 0.00 H new ATOM 0 HA GLU A 51 7.655 -6.185 -5.586 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.350 -4.860 -2.914 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.432 -4.993 -4.286 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.981 -3.526 -5.626 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.800 -3.463 -4.333 1.00 0.00 H new ATOM 814 N ARG A 52 7.821 -7.761 -2.684 1.00 0.00 N ATOM 815 CA ARG A 52 8.277 -8.974 -1.968 1.00 0.00 C ATOM 816 C ARG A 52 7.777 -10.261 -2.656 1.00 0.00 C ATOM 817 O ARG A 52 8.464 -11.283 -2.662 1.00 0.00 O ATOM 818 CB ARG A 52 7.773 -8.950 -0.504 1.00 0.00 C ATOM 819 CG ARG A 52 8.262 -7.750 0.333 1.00 0.00 C ATOM 820 CD ARG A 52 7.732 -7.800 1.779 1.00 0.00 C ATOM 821 NE ARG A 52 8.185 -9.014 2.481 1.00 0.00 N ATOM 822 CZ ARG A 52 7.572 -9.595 3.516 1.00 0.00 C ATOM 823 NH1 ARG A 52 6.439 -9.100 4.014 1.00 0.00 N ATOM 824 NH2 ARG A 52 8.089 -10.690 4.044 1.00 0.00 N ATOM 0 H ARG A 52 7.150 -7.206 -2.152 1.00 0.00 H new ATOM 0 HA ARG A 52 9.367 -8.975 -1.986 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.683 -8.949 -0.511 1.00 0.00 H new ATOM 0 HB3 ARG A 52 8.088 -9.870 -0.012 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.352 -7.738 0.347 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.939 -6.823 -0.140 1.00 0.00 H new ATOM 0 HD2 ARG A 52 8.070 -6.917 2.322 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.642 -7.770 1.769 1.00 0.00 H new ATOM 0 HE ARG A 52 9.044 -9.450 2.146 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.025 -8.263 3.604 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.986 -9.558 4.805 1.00 0.00 H new ATOM 0 HH21 ARG A 52 8.948 -11.084 3.661 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.629 -11.141 4.834 1.00 0.00 H new ATOM 838 N LEU A 53 6.561 -10.200 -3.214 1.00 0.00 N ATOM 839 CA LEU A 53 5.925 -11.347 -3.897 1.00 0.00 C ATOM 840 C LEU A 53 6.259 -11.382 -5.416 1.00 0.00 C ATOM 841 O LEU A 53 5.548 -12.042 -6.180 1.00 0.00 O ATOM 842 CB LEU A 53 4.388 -11.263 -3.665 1.00 0.00 C ATOM 843 CG LEU A 53 3.923 -11.181 -2.172 1.00 0.00 C ATOM 844 CD1 LEU A 53 2.394 -10.973 -2.066 1.00 0.00 C ATOM 845 CD2 LEU A 53 4.388 -12.416 -1.359 1.00 0.00 C ATOM 0 H LEU A 53 5.986 -9.357 -3.208 1.00 0.00 H new ATOM 0 HA LEU A 53 6.318 -12.273 -3.478 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.008 -10.388 -4.192 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.923 -12.137 -4.122 1.00 0.00 H new ATOM 0 HG LEU A 53 4.402 -10.307 -1.731 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.106 -10.921 -1.016 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.118 -10.044 -2.565 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.879 -11.808 -2.542 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.046 -12.323 -0.328 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.969 -13.321 -1.800 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.476 -12.474 -1.377 1.00 0.00 H new ATOM 857 N ASP A 54 7.352 -10.678 -5.838 1.00 0.00 N ATOM 858 CA ASP A 54 7.784 -10.555 -7.273 1.00 0.00 C ATOM 859 C ASP A 54 6.744 -9.806 -8.147 1.00 0.00 C ATOM 860 O ASP A 54 6.876 -9.741 -9.370 1.00 0.00 O ATOM 861 CB ASP A 54 8.116 -11.949 -7.894 1.00 0.00 C ATOM 862 CG ASP A 54 9.353 -12.623 -7.267 1.00 0.00 C ATOM 863 OD1 ASP A 54 9.266 -13.132 -6.128 1.00 0.00 O ATOM 864 OD2 ASP A 54 10.422 -12.656 -7.916 1.00 0.00 O ATOM 0 H ASP A 54 7.963 -10.177 -5.193 1.00 0.00 H new ATOM 0 HA ASP A 54 8.694 -9.955 -7.265 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.254 -12.606 -7.774 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.280 -11.831 -8.965 1.00 0.00 H new ATOM 869 N ARG A 55 5.756 -9.197 -7.487 1.00 0.00 N ATOM 870 CA ARG A 55 4.637 -8.483 -8.123 1.00 0.00 C ATOM 871 C ARG A 55 4.985 -6.985 -8.217 1.00 0.00 C ATOM 872 O ARG A 55 4.178 -6.116 -7.882 1.00 0.00 O ATOM 873 CB ARG A 55 3.331 -8.714 -7.299 1.00 0.00 C ATOM 874 CG ARG A 55 2.934 -10.192 -7.080 1.00 0.00 C ATOM 875 CD ARG A 55 2.767 -10.973 -8.397 1.00 0.00 C ATOM 876 NE ARG A 55 1.793 -10.334 -9.301 1.00 0.00 N ATOM 877 CZ ARG A 55 1.019 -10.958 -10.195 1.00 0.00 C ATOM 878 NH1 ARG A 55 1.049 -12.282 -10.335 1.00 0.00 N ATOM 879 NH2 ARG A 55 0.204 -10.240 -10.945 1.00 0.00 N ATOM 0 H ARG A 55 5.707 -9.184 -6.468 1.00 0.00 H new ATOM 0 HA ARG A 55 4.469 -8.863 -9.131 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.448 -8.239 -6.325 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.509 -8.206 -7.804 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.694 -10.680 -6.469 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.000 -10.232 -6.520 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.732 -11.048 -8.899 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.443 -11.990 -8.176 1.00 0.00 H new ATOM 0 HE ARG A 55 1.701 -9.320 -9.238 1.00 0.00 H new ATOM 0 HH11 ARG A 55 1.672 -12.842 -9.753 1.00 0.00 H new ATOM 0 HH12 ARG A 55 0.449 -12.736 -11.024 1.00 0.00 H new ATOM 0 HH21 ARG A 55 0.172 -9.226 -10.837 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -0.394 -10.699 -11.632 1.00 0.00 H new ATOM 893 N THR A 56 6.203 -6.717 -8.708 1.00 0.00 N ATOM 894 CA THR A 56 6.788 -5.372 -8.779 1.00 0.00 C ATOM 895 C THR A 56 5.957 -4.449 -9.694 1.00 0.00 C ATOM 896 O THR A 56 5.813 -3.264 -9.415 1.00 0.00 O ATOM 897 CB THR A 56 8.259 -5.455 -9.297 1.00 0.00 C ATOM 898 OG1 THR A 56 8.924 -6.593 -8.710 1.00 0.00 O ATOM 899 CG2 THR A 56 9.056 -4.183 -8.969 1.00 0.00 C ATOM 0 H THR A 56 6.820 -7.442 -9.073 1.00 0.00 H new ATOM 0 HA THR A 56 6.782 -4.947 -7.775 1.00 0.00 H new ATOM 0 HB THR A 56 8.216 -5.560 -10.381 1.00 0.00 H new ATOM 0 HG1 THR A 56 9.845 -6.640 -9.041 1.00 0.00 H new ATOM 0 HG21 THR A 56 10.073 -4.283 -9.347 1.00 0.00 H new ATOM 0 HG22 THR A 56 8.578 -3.323 -9.438 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.083 -4.039 -7.889 1.00 0.00 H new ATOM 907 N ASP A 57 5.384 -5.039 -10.755 1.00 0.00 N ATOM 908 CA ASP A 57 4.483 -4.345 -11.694 1.00 0.00 C ATOM 909 C ASP A 57 3.210 -3.864 -10.967 1.00 0.00 C ATOM 910 O ASP A 57 2.775 -2.714 -11.126 1.00 0.00 O ATOM 911 CB ASP A 57 4.106 -5.313 -12.844 1.00 0.00 C ATOM 912 CG ASP A 57 2.999 -4.781 -13.779 1.00 0.00 C ATOM 913 OD1 ASP A 57 3.302 -4.025 -14.719 1.00 0.00 O ATOM 914 OD2 ASP A 57 1.814 -5.117 -13.570 1.00 0.00 O ATOM 0 H ASP A 57 5.533 -6.021 -10.989 1.00 0.00 H new ATOM 0 HA ASP A 57 4.993 -3.472 -12.102 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.997 -5.521 -13.436 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.780 -6.260 -12.415 1.00 0.00 H new ATOM 919 N ASP A 58 2.638 -4.775 -10.166 1.00 0.00 N ATOM 920 CA ASP A 58 1.421 -4.525 -9.375 1.00 0.00 C ATOM 921 C ASP A 58 1.686 -3.419 -8.348 1.00 0.00 C ATOM 922 O ASP A 58 0.802 -2.608 -8.062 1.00 0.00 O ATOM 923 CB ASP A 58 0.968 -5.824 -8.652 1.00 0.00 C ATOM 924 CG ASP A 58 0.722 -6.996 -9.613 1.00 0.00 C ATOM 925 OD1 ASP A 58 1.695 -7.485 -10.227 1.00 0.00 O ATOM 926 OD2 ASP A 58 -0.429 -7.436 -9.771 1.00 0.00 O ATOM 0 H ASP A 58 3.011 -5.717 -10.047 1.00 0.00 H new ATOM 0 HA ASP A 58 0.625 -4.206 -10.048 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.728 -6.112 -7.925 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.054 -5.622 -8.094 1.00 0.00 H new ATOM 931 N ALA A 59 2.930 -3.402 -7.829 1.00 0.00 N ATOM 932 CA ALA A 59 3.417 -2.365 -6.911 1.00 0.00 C ATOM 933 C ALA A 59 3.362 -0.980 -7.582 1.00 0.00 C ATOM 934 O ALA A 59 2.809 -0.056 -7.003 1.00 0.00 O ATOM 935 CB ALA A 59 4.844 -2.681 -6.431 1.00 0.00 C ATOM 0 H ALA A 59 3.627 -4.116 -8.040 1.00 0.00 H new ATOM 0 HA ALA A 59 2.764 -2.351 -6.038 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.181 -1.898 -5.752 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.849 -3.639 -5.911 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.514 -2.731 -7.289 1.00 0.00 H new ATOM 941 N ILE A 60 3.888 -0.884 -8.831 1.00 0.00 N ATOM 942 CA ILE A 60 3.936 0.386 -9.621 1.00 0.00 C ATOM 943 C ILE A 60 2.526 1.004 -9.732 1.00 0.00 C ATOM 944 O ILE A 60 2.331 2.211 -9.525 1.00 0.00 O ATOM 945 CB ILE A 60 4.485 0.161 -11.095 1.00 0.00 C ATOM 946 CG1 ILE A 60 5.830 -0.624 -11.105 1.00 0.00 C ATOM 947 CG2 ILE A 60 4.630 1.507 -11.854 1.00 0.00 C ATOM 948 CD1 ILE A 60 6.943 0.007 -10.298 1.00 0.00 C ATOM 0 H ILE A 60 4.292 -1.681 -9.323 1.00 0.00 H new ATOM 0 HA ILE A 60 4.614 1.053 -9.088 1.00 0.00 H new ATOM 0 HB ILE A 60 3.747 -0.448 -11.617 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.650 -1.629 -10.724 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.164 -0.730 -12.137 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.008 1.319 -12.859 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.658 1.996 -11.917 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.327 2.153 -11.320 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.838 -0.612 -10.366 1.00 0.00 H new ATOM 0 HD12 ILE A 60 7.158 1.001 -10.690 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.636 0.087 -9.255 1.00 0.00 H new ATOM 960 N ASP A 61 1.567 0.125 -10.049 1.00 0.00 N ATOM 961 CA ASP A 61 0.152 0.466 -10.259 1.00 0.00 C ATOM 962 C ASP A 61 -0.513 0.936 -8.943 1.00 0.00 C ATOM 963 O ASP A 61 -1.272 1.915 -8.934 1.00 0.00 O ATOM 964 CB ASP A 61 -0.579 -0.774 -10.839 1.00 0.00 C ATOM 965 CG ASP A 61 -2.065 -0.529 -11.165 1.00 0.00 C ATOM 966 OD1 ASP A 61 -2.366 0.018 -12.248 1.00 0.00 O ATOM 967 OD2 ASP A 61 -2.938 -0.888 -10.344 1.00 0.00 O ATOM 0 H ASP A 61 1.758 -0.870 -10.170 1.00 0.00 H new ATOM 0 HA ASP A 61 0.082 1.294 -10.964 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.066 -1.094 -11.746 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.505 -1.594 -10.125 1.00 0.00 H new ATOM 972 N THR A 62 -0.206 0.232 -7.843 1.00 0.00 N ATOM 973 CA THR A 62 -0.745 0.544 -6.504 1.00 0.00 C ATOM 974 C THR A 62 -0.210 1.903 -5.987 1.00 0.00 C ATOM 975 O THR A 62 -0.950 2.685 -5.382 1.00 0.00 O ATOM 976 CB THR A 62 -0.400 -0.600 -5.489 1.00 0.00 C ATOM 977 OG1 THR A 62 -0.944 -1.843 -5.963 1.00 0.00 O ATOM 978 CG2 THR A 62 -0.951 -0.328 -4.081 1.00 0.00 C ATOM 0 H THR A 62 0.423 -0.571 -7.853 1.00 0.00 H new ATOM 0 HA THR A 62 -1.829 0.618 -6.591 1.00 0.00 H new ATOM 0 HB THR A 62 0.687 -0.648 -5.420 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.394 -2.181 -6.701 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.683 -1.152 -3.420 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.526 0.599 -3.697 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.036 -0.238 -4.126 1.00 0.00 H new ATOM 986 N TYR A 63 1.087 2.164 -6.241 1.00 0.00 N ATOM 987 CA TYR A 63 1.737 3.448 -5.910 1.00 0.00 C ATOM 988 C TYR A 63 1.133 4.591 -6.728 1.00 0.00 C ATOM 989 O TYR A 63 0.977 5.684 -6.208 1.00 0.00 O ATOM 990 CB TYR A 63 3.267 3.403 -6.145 1.00 0.00 C ATOM 991 CG TYR A 63 4.046 2.409 -5.265 1.00 0.00 C ATOM 992 CD1 TYR A 63 3.808 2.310 -3.892 1.00 0.00 C ATOM 993 CD2 TYR A 63 5.040 1.591 -5.806 1.00 0.00 C ATOM 994 CE1 TYR A 63 4.528 1.440 -3.108 1.00 0.00 C ATOM 995 CE2 TYR A 63 5.753 0.717 -5.025 1.00 0.00 C ATOM 996 CZ TYR A 63 5.494 0.647 -3.680 1.00 0.00 C ATOM 997 OH TYR A 63 6.213 -0.216 -2.898 1.00 0.00 O ATOM 0 H TYR A 63 1.714 1.491 -6.681 1.00 0.00 H new ATOM 0 HA TYR A 63 1.559 3.624 -4.849 1.00 0.00 H new ATOM 0 HB2 TYR A 63 3.449 3.155 -7.191 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.671 4.402 -5.980 1.00 0.00 H new ATOM 0 HD1 TYR A 63 3.046 2.927 -3.439 1.00 0.00 H new ATOM 0 HD2 TYR A 63 5.252 1.648 -6.863 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.335 1.380 -2.047 1.00 0.00 H new ATOM 0 HE2 TYR A 63 6.513 0.089 -5.466 1.00 0.00 H new ATOM 0 HH TYR A 63 7.098 -0.356 -3.294 1.00 0.00 H new ATOM 1007 N ALA A 64 0.823 4.322 -8.012 1.00 0.00 N ATOM 1008 CA ALA A 64 0.172 5.298 -8.919 1.00 0.00 C ATOM 1009 C ALA A 64 -1.221 5.712 -8.398 1.00 0.00 C ATOM 1010 O ALA A 64 -1.547 6.902 -8.350 1.00 0.00 O ATOM 1011 CB ALA A 64 0.058 4.709 -10.328 1.00 0.00 C ATOM 0 H ALA A 64 1.016 3.423 -8.453 1.00 0.00 H new ATOM 0 HA ALA A 64 0.793 6.193 -8.953 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.421 5.433 -10.987 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.053 4.477 -10.707 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.539 3.798 -10.294 1.00 0.00 H new ATOM 1017 N GLN A 65 -2.017 4.703 -7.997 1.00 0.00 N ATOM 1018 CA GLN A 65 -3.351 4.904 -7.383 1.00 0.00 C ATOM 1019 C GLN A 65 -3.177 5.720 -6.086 1.00 0.00 C ATOM 1020 O GLN A 65 -3.975 6.612 -5.771 1.00 0.00 O ATOM 1021 CB GLN A 65 -4.028 3.506 -7.115 1.00 0.00 C ATOM 1022 CG GLN A 65 -5.527 3.365 -7.535 1.00 0.00 C ATOM 1023 CD GLN A 65 -6.589 3.768 -6.491 1.00 0.00 C ATOM 1024 OE1 GLN A 65 -7.673 3.189 -6.457 1.00 0.00 O ATOM 1025 NE2 GLN A 65 -6.346 4.788 -5.687 1.00 0.00 N ATOM 0 H GLN A 65 -1.756 3.721 -8.088 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.007 5.459 -8.054 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.453 2.743 -7.640 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.950 3.288 -6.050 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.686 3.967 -8.429 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.704 2.326 -7.814 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.443 5.262 -5.723 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.061 5.102 -5.031 1.00 0.00 H new ATOM 1034 N GLY A 66 -2.099 5.383 -5.364 1.00 0.00 N ATOM 1035 CA GLY A 66 -1.681 6.090 -4.168 1.00 0.00 C ATOM 1036 C GLY A 66 -1.337 7.548 -4.414 1.00 0.00 C ATOM 1037 O GLY A 66 -1.698 8.385 -3.618 1.00 0.00 O ATOM 0 H GLY A 66 -1.492 4.600 -5.606 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.477 6.033 -3.425 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.812 5.587 -3.743 1.00 0.00 H new ATOM 1041 N ILE A 67 -0.629 7.833 -5.519 1.00 0.00 N ATOM 1042 CA ILE A 67 -0.175 9.195 -5.893 1.00 0.00 C ATOM 1043 C ILE A 67 -1.374 10.152 -6.025 1.00 0.00 C ATOM 1044 O ILE A 67 -1.338 11.282 -5.519 1.00 0.00 O ATOM 1045 CB ILE A 67 0.662 9.166 -7.243 1.00 0.00 C ATOM 1046 CG1 ILE A 67 2.082 8.549 -7.010 1.00 0.00 C ATOM 1047 CG2 ILE A 67 0.767 10.557 -7.925 1.00 0.00 C ATOM 1048 CD1 ILE A 67 2.922 8.384 -8.270 1.00 0.00 C ATOM 0 H ILE A 67 -0.349 7.119 -6.191 1.00 0.00 H new ATOM 0 HA ILE A 67 0.474 9.561 -5.098 1.00 0.00 H new ATOM 0 HB ILE A 67 0.111 8.526 -7.932 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.626 9.180 -6.308 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.966 7.574 -6.538 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.351 10.470 -8.841 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.232 10.921 -8.164 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.256 11.258 -7.249 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.887 7.950 -8.009 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.405 7.726 -8.968 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.076 9.358 -8.735 1.00 0.00 H new ATOM 1060 N GLU A 68 -2.433 9.652 -6.667 1.00 0.00 N ATOM 1061 CA GLU A 68 -3.654 10.416 -6.935 1.00 0.00 C ATOM 1062 C GLU A 68 -4.335 10.817 -5.618 1.00 0.00 C ATOM 1063 O GLU A 68 -4.696 11.971 -5.424 1.00 0.00 O ATOM 1064 CB GLU A 68 -4.607 9.567 -7.808 1.00 0.00 C ATOM 1065 CG GLU A 68 -3.980 9.105 -9.135 1.00 0.00 C ATOM 1066 CD GLU A 68 -4.883 8.159 -9.937 1.00 0.00 C ATOM 1067 OE1 GLU A 68 -5.030 6.986 -9.530 1.00 0.00 O ATOM 1068 OE2 GLU A 68 -5.460 8.578 -10.962 1.00 0.00 O ATOM 0 H GLU A 68 -2.467 8.695 -7.019 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.399 11.330 -7.472 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.922 8.691 -7.241 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.504 10.148 -8.023 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.750 9.979 -9.744 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.035 8.604 -8.927 1.00 0.00 H new ATOM 1075 N VAL A 69 -4.434 9.855 -4.694 1.00 0.00 N ATOM 1076 CA VAL A 69 -5.066 10.076 -3.377 1.00 0.00 C ATOM 1077 C VAL A 69 -4.087 10.754 -2.388 1.00 0.00 C ATOM 1078 O VAL A 69 -4.509 11.319 -1.395 1.00 0.00 O ATOM 1079 CB VAL A 69 -5.667 8.747 -2.779 1.00 0.00 C ATOM 1080 CG1 VAL A 69 -6.680 8.110 -3.767 1.00 0.00 C ATOM 1081 CG2 VAL A 69 -4.569 7.738 -2.371 1.00 0.00 C ATOM 0 H VAL A 69 -4.083 8.907 -4.830 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.901 10.758 -3.533 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.199 9.014 -1.866 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.083 7.194 -3.335 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.494 8.810 -3.956 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.176 7.878 -4.705 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.033 6.839 -1.965 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.973 7.475 -3.245 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.925 8.187 -1.615 1.00 0.00 H new ATOM 1091 N ALA A 70 -2.779 10.680 -2.667 1.00 0.00 N ATOM 1092 CA ALA A 70 -1.724 11.280 -1.805 1.00 0.00 C ATOM 1093 C ALA A 70 -1.708 12.796 -1.936 1.00 0.00 C ATOM 1094 O ALA A 70 -1.545 13.509 -0.952 1.00 0.00 O ATOM 1095 CB ALA A 70 -0.343 10.720 -2.146 1.00 0.00 C ATOM 0 H ALA A 70 -2.412 10.206 -3.492 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.962 11.017 -0.774 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.405 11.178 -1.499 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.341 9.640 -1.995 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.107 10.942 -3.187 1.00 0.00 H new ATOM 1101 N ARG A 71 -1.846 13.273 -3.178 1.00 0.00 N ATOM 1102 CA ARG A 71 -1.864 14.715 -3.477 1.00 0.00 C ATOM 1103 C ARG A 71 -3.216 15.367 -3.102 1.00 0.00 C ATOM 1104 O ARG A 71 -3.256 16.563 -2.799 1.00 0.00 O ATOM 1105 CB ARG A 71 -1.496 14.960 -4.959 1.00 0.00 C ATOM 1106 CG ARG A 71 -2.452 14.326 -5.979 1.00 0.00 C ATOM 1107 CD ARG A 71 -1.926 14.399 -7.423 1.00 0.00 C ATOM 1108 NE ARG A 71 -1.530 15.764 -7.810 1.00 0.00 N ATOM 1109 CZ ARG A 71 -2.303 16.660 -8.438 1.00 0.00 C ATOM 1110 NH1 ARG A 71 -3.582 16.394 -8.692 1.00 0.00 N ATOM 1111 NH2 ARG A 71 -1.794 17.832 -8.779 1.00 0.00 N ATOM 0 H ARG A 71 -1.948 12.678 -4.000 1.00 0.00 H new ATOM 0 HA ARG A 71 -1.109 15.198 -2.856 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -1.461 16.035 -5.136 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.492 14.575 -5.137 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.620 13.283 -5.712 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -3.418 14.828 -5.924 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.070 13.732 -7.529 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -2.696 14.040 -8.106 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.580 16.054 -7.579 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -3.983 15.500 -8.408 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -4.161 17.084 -9.171 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.821 18.047 -8.564 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -2.375 18.521 -9.257 1.00 0.00 H new ATOM 1125 N GLU A 72 -4.319 14.582 -3.107 1.00 0.00 N ATOM 1126 CA GLU A 72 -5.653 15.097 -2.727 1.00 0.00 C ATOM 1127 C GLU A 72 -5.894 14.979 -1.201 1.00 0.00 C ATOM 1128 O GLU A 72 -6.210 15.968 -0.536 1.00 0.00 O ATOM 1129 CB GLU A 72 -6.774 14.337 -3.490 1.00 0.00 C ATOM 1130 CG GLU A 72 -6.660 14.348 -5.033 1.00 0.00 C ATOM 1131 CD GLU A 72 -6.538 15.752 -5.652 1.00 0.00 C ATOM 1132 OE1 GLU A 72 -7.551 16.477 -5.697 1.00 0.00 O ATOM 1133 OE2 GLU A 72 -5.441 16.133 -6.121 1.00 0.00 O ATOM 0 H GLU A 72 -4.311 13.596 -3.368 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.682 16.152 -3.001 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.781 13.301 -3.152 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.735 14.769 -3.212 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.791 13.759 -5.325 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.536 13.854 -5.453 1.00 0.00 H new ATOM 1140 N GLU A 73 -5.727 13.757 -0.663 1.00 0.00 N ATOM 1141 CA GLU A 73 -6.020 13.426 0.755 1.00 0.00 C ATOM 1142 C GLU A 73 -4.798 13.621 1.665 1.00 0.00 C ATOM 1143 O GLU A 73 -4.899 14.275 2.704 1.00 0.00 O ATOM 1144 CB GLU A 73 -6.522 11.955 0.862 1.00 0.00 C ATOM 1145 CG GLU A 73 -7.857 11.688 0.146 1.00 0.00 C ATOM 1146 CD GLU A 73 -9.025 12.467 0.771 1.00 0.00 C ATOM 1147 OE1 GLU A 73 -9.486 12.079 1.872 1.00 0.00 O ATOM 1148 OE2 GLU A 73 -9.484 13.477 0.184 1.00 0.00 O ATOM 0 H GLU A 73 -5.382 12.961 -1.200 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.795 14.113 1.094 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -5.762 11.293 0.447 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.630 11.696 1.915 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -7.763 11.961 -0.905 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.077 10.621 0.180 1.00 0.00 H new ATOM 1155 N GLY A 74 -3.639 13.052 1.276 1.00 0.00 N ATOM 1156 CA GLY A 74 -2.453 13.041 2.148 1.00 0.00 C ATOM 1157 C GLY A 74 -1.615 14.307 2.010 1.00 0.00 C ATOM 1158 O GLY A 74 -2.033 15.263 1.352 1.00 0.00 O ATOM 0 H GLY A 74 -3.502 12.599 0.372 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -2.770 12.930 3.185 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.838 12.174 1.908 1.00 0.00 H new ATOM 1162 N THR A 75 -0.427 14.328 2.631 1.00 0.00 N ATOM 1163 CA THR A 75 0.510 15.464 2.514 1.00 0.00 C ATOM 1164 C THR A 75 1.537 15.196 1.398 1.00 0.00 C ATOM 1165 O THR A 75 1.546 14.108 0.799 1.00 0.00 O ATOM 1166 CB THR A 75 1.246 15.750 3.864 1.00 0.00 C ATOM 1167 OG1 THR A 75 2.074 14.646 4.225 1.00 0.00 O ATOM 1168 CG2 THR A 75 0.259 16.022 5.007 1.00 0.00 C ATOM 0 H THR A 75 -0.088 13.570 3.223 1.00 0.00 H new ATOM 0 HA THR A 75 -0.075 16.348 2.261 1.00 0.00 H new ATOM 0 HB THR A 75 1.855 16.641 3.710 1.00 0.00 H new ATOM 0 HG1 THR A 75 1.600 13.808 4.041 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.811 16.216 5.926 1.00 0.00 H new ATOM 0 HG22 THR A 75 -0.352 16.890 4.761 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.384 15.153 5.147 1.00 0.00 H new ATOM 1176 N GLN A 76 2.387 16.205 1.110 1.00 0.00 N ATOM 1177 CA GLN A 76 3.457 16.107 0.093 1.00 0.00 C ATOM 1178 C GLN A 76 4.450 14.990 0.450 1.00 0.00 C ATOM 1179 O GLN A 76 5.017 14.359 -0.439 1.00 0.00 O ATOM 1180 CB GLN A 76 4.184 17.474 -0.062 1.00 0.00 C ATOM 1181 CG GLN A 76 5.359 17.491 -1.073 1.00 0.00 C ATOM 1182 CD GLN A 76 4.942 17.099 -2.492 1.00 0.00 C ATOM 1183 OE1 GLN A 76 3.838 17.392 -2.939 1.00 0.00 O ATOM 1184 NE2 GLN A 76 5.822 16.428 -3.218 1.00 0.00 N ATOM 0 H GLN A 76 2.351 17.111 1.576 1.00 0.00 H new ATOM 0 HA GLN A 76 3.002 15.853 -0.864 1.00 0.00 H new ATOM 0 HB2 GLN A 76 3.453 18.222 -0.368 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.562 17.778 0.914 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.797 18.489 -1.093 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.136 16.808 -0.728 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.734 16.195 -2.826 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.588 16.144 -4.169 1.00 0.00 H new ATOM 1193 N LYS A 77 4.618 14.749 1.762 1.00 0.00 N ATOM 1194 CA LYS A 77 5.455 13.665 2.299 1.00 0.00 C ATOM 1195 C LYS A 77 4.999 12.300 1.743 1.00 0.00 C ATOM 1196 O LYS A 77 5.805 11.548 1.195 1.00 0.00 O ATOM 1197 CB LYS A 77 5.371 13.680 3.849 1.00 0.00 C ATOM 1198 CG LYS A 77 6.172 12.569 4.567 1.00 0.00 C ATOM 1199 CD LYS A 77 6.074 12.670 6.107 1.00 0.00 C ATOM 1200 CE LYS A 77 6.846 11.554 6.826 1.00 0.00 C ATOM 1201 NZ LYS A 77 6.739 11.656 8.301 1.00 0.00 N ATOM 0 H LYS A 77 4.170 15.309 2.487 1.00 0.00 H new ATOM 0 HA LYS A 77 6.489 13.821 1.992 1.00 0.00 H new ATOM 0 HB2 LYS A 77 5.724 14.648 4.206 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.324 13.596 4.140 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.804 11.595 4.246 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.218 12.629 4.268 1.00 0.00 H new ATOM 0 HD2 LYS A 77 6.459 13.638 6.428 1.00 0.00 H new ATOM 0 HD3 LYS A 77 5.026 12.630 6.403 1.00 0.00 H new ATOM 0 HE2 LYS A 77 6.465 10.585 6.502 1.00 0.00 H new ATOM 0 HE3 LYS A 77 7.896 11.597 6.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 7.276 10.882 8.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 7.126 12.569 8.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 5.740 11.589 8.582 1.00 0.00 H new ATOM 1215 N ASP A 78 3.678 12.050 1.837 1.00 0.00 N ATOM 1216 CA ASP A 78 3.032 10.807 1.364 1.00 0.00 C ATOM 1217 C ASP A 78 3.199 10.643 -0.144 1.00 0.00 C ATOM 1218 O ASP A 78 3.539 9.554 -0.634 1.00 0.00 O ATOM 1219 CB ASP A 78 1.528 10.827 1.716 1.00 0.00 C ATOM 1220 CG ASP A 78 1.287 10.854 3.219 1.00 0.00 C ATOM 1221 OD1 ASP A 78 1.349 9.795 3.849 1.00 0.00 O ATOM 1222 OD2 ASP A 78 1.058 11.934 3.791 1.00 0.00 O ATOM 0 H ASP A 78 3.021 12.713 2.248 1.00 0.00 H new ATOM 0 HA ASP A 78 3.514 9.965 1.861 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.062 11.700 1.260 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.045 9.948 1.289 1.00 0.00 H new ATOM 1227 N LEU A 79 2.954 11.756 -0.858 1.00 0.00 N ATOM 1228 CA LEU A 79 3.089 11.834 -2.316 1.00 0.00 C ATOM 1229 C LEU A 79 4.517 11.460 -2.757 1.00 0.00 C ATOM 1230 O LEU A 79 4.698 10.673 -3.691 1.00 0.00 O ATOM 1231 CB LEU A 79 2.719 13.263 -2.801 1.00 0.00 C ATOM 1232 CG LEU A 79 2.759 13.505 -4.342 1.00 0.00 C ATOM 1233 CD1 LEU A 79 1.741 12.610 -5.074 1.00 0.00 C ATOM 1234 CD2 LEU A 79 2.540 14.994 -4.682 1.00 0.00 C ATOM 0 H LEU A 79 2.654 12.633 -0.431 1.00 0.00 H new ATOM 0 HA LEU A 79 2.404 11.118 -2.770 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.715 13.496 -2.445 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.398 13.971 -2.326 1.00 0.00 H new ATOM 0 HG LEU A 79 3.754 13.230 -4.693 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.793 12.802 -6.146 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.973 11.563 -4.881 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.736 12.832 -4.714 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.574 15.129 -5.763 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.568 15.314 -4.306 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.323 15.592 -4.217 1.00 0.00 H new ATOM 1246 N SER A 80 5.514 11.989 -2.028 1.00 0.00 N ATOM 1247 CA SER A 80 6.936 11.792 -2.329 1.00 0.00 C ATOM 1248 C SER A 80 7.370 10.327 -2.119 1.00 0.00 C ATOM 1249 O SER A 80 8.233 9.836 -2.848 1.00 0.00 O ATOM 1250 CB SER A 80 7.780 12.753 -1.464 1.00 0.00 C ATOM 1251 OG SER A 80 7.485 14.106 -1.758 1.00 0.00 O ATOM 0 H SER A 80 5.350 12.570 -1.206 1.00 0.00 H new ATOM 0 HA SER A 80 7.101 12.018 -3.382 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.589 12.558 -0.409 1.00 0.00 H new ATOM 0 HB3 SER A 80 8.840 12.564 -1.636 1.00 0.00 H new ATOM 0 HG SER A 80 6.634 14.353 -1.340 1.00 0.00 H new ATOM 1257 N GLU A 81 6.747 9.636 -1.136 1.00 0.00 N ATOM 1258 CA GLU A 81 7.047 8.216 -0.834 1.00 0.00 C ATOM 1259 C GLU A 81 6.591 7.304 -1.971 1.00 0.00 C ATOM 1260 O GLU A 81 7.336 6.442 -2.416 1.00 0.00 O ATOM 1261 CB GLU A 81 6.371 7.765 0.498 1.00 0.00 C ATOM 1262 CG GLU A 81 6.814 8.557 1.736 1.00 0.00 C ATOM 1263 CD GLU A 81 8.342 8.638 1.872 1.00 0.00 C ATOM 1264 OE1 GLU A 81 8.969 7.612 2.203 1.00 0.00 O ATOM 1265 OE2 GLU A 81 8.924 9.720 1.630 1.00 0.00 O ATOM 0 H GLU A 81 6.029 10.042 -0.535 1.00 0.00 H new ATOM 0 HA GLU A 81 8.128 8.133 -0.725 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.290 7.856 0.391 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.587 6.709 0.661 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.404 9.566 1.683 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.398 8.090 2.629 1.00 0.00 H new ATOM 1272 N LEU A 82 5.356 7.526 -2.427 1.00 0.00 N ATOM 1273 CA LEU A 82 4.705 6.712 -3.474 1.00 0.00 C ATOM 1274 C LEU A 82 5.360 6.916 -4.850 1.00 0.00 C ATOM 1275 O LEU A 82 5.527 5.955 -5.612 1.00 0.00 O ATOM 1276 CB LEU A 82 3.206 7.065 -3.494 1.00 0.00 C ATOM 1277 CG LEU A 82 2.433 6.615 -2.210 1.00 0.00 C ATOM 1278 CD1 LEU A 82 1.168 7.440 -1.986 1.00 0.00 C ATOM 1279 CD2 LEU A 82 2.103 5.112 -2.271 1.00 0.00 C ATOM 0 H LEU A 82 4.767 8.283 -2.080 1.00 0.00 H new ATOM 0 HA LEU A 82 4.829 5.654 -3.243 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.098 8.143 -3.612 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.745 6.601 -4.366 1.00 0.00 H new ATOM 0 HG LEU A 82 3.089 6.792 -1.358 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.663 7.094 -1.084 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.434 8.491 -1.872 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.502 7.325 -2.842 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.566 4.821 -1.369 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.482 4.911 -3.144 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.027 4.539 -2.344 1.00 0.00 H new ATOM 1291 N GLN A 83 5.761 8.168 -5.137 1.00 0.00 N ATOM 1292 CA GLN A 83 6.501 8.524 -6.365 1.00 0.00 C ATOM 1293 C GLN A 83 7.891 7.853 -6.361 1.00 0.00 C ATOM 1294 O GLN A 83 8.277 7.202 -7.339 1.00 0.00 O ATOM 1295 CB GLN A 83 6.649 10.069 -6.479 1.00 0.00 C ATOM 1296 CG GLN A 83 5.340 10.833 -6.772 1.00 0.00 C ATOM 1297 CD GLN A 83 5.463 12.365 -6.667 1.00 0.00 C ATOM 1298 OE1 GLN A 83 4.805 13.102 -7.396 1.00 0.00 O ATOM 1299 NE2 GLN A 83 6.256 12.859 -5.724 1.00 0.00 N ATOM 0 H GLN A 83 5.582 8.963 -4.524 1.00 0.00 H new ATOM 0 HA GLN A 83 5.940 8.164 -7.228 1.00 0.00 H new ATOM 0 HB2 GLN A 83 7.072 10.447 -5.548 1.00 0.00 H new ATOM 0 HB3 GLN A 83 7.366 10.292 -7.269 1.00 0.00 H new ATOM 0 HG2 GLN A 83 4.999 10.575 -7.775 1.00 0.00 H new ATOM 0 HG3 GLN A 83 4.572 10.493 -6.077 1.00 0.00 H new ATOM 0 HE21 GLN A 83 6.794 12.229 -5.129 1.00 0.00 H new ATOM 0 HE22 GLN A 83 6.327 13.868 -5.595 1.00 0.00 H new ATOM 1308 N ASP A 84 8.603 7.996 -5.226 1.00 0.00 N ATOM 1309 CA ASP A 84 9.955 7.427 -5.031 1.00 0.00 C ATOM 1310 C ASP A 84 9.926 5.894 -5.134 1.00 0.00 C ATOM 1311 O ASP A 84 10.802 5.284 -5.755 1.00 0.00 O ATOM 1312 CB ASP A 84 10.525 7.838 -3.649 1.00 0.00 C ATOM 1313 CG ASP A 84 11.904 7.218 -3.342 1.00 0.00 C ATOM 1314 OD1 ASP A 84 12.910 7.681 -3.916 1.00 0.00 O ATOM 1315 OD2 ASP A 84 11.988 6.261 -2.534 1.00 0.00 O ATOM 0 H ASP A 84 8.258 8.510 -4.416 1.00 0.00 H new ATOM 0 HA ASP A 84 10.597 7.822 -5.818 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.607 8.924 -3.607 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.821 7.541 -2.872 1.00 0.00 H new ATOM 1320 N ALA A 85 8.897 5.305 -4.524 1.00 0.00 N ATOM 1321 CA ALA A 85 8.759 3.858 -4.381 1.00 0.00 C ATOM 1322 C ALA A 85 8.608 3.165 -5.731 1.00 0.00 C ATOM 1323 O ALA A 85 9.288 2.172 -5.985 1.00 0.00 O ATOM 1324 CB ALA A 85 7.581 3.532 -3.455 1.00 0.00 C ATOM 0 H ALA A 85 8.126 5.828 -4.110 1.00 0.00 H new ATOM 0 HA ALA A 85 9.675 3.474 -3.931 1.00 0.00 H new ATOM 0 HB1 ALA A 85 7.486 2.451 -3.354 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.756 3.974 -2.474 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.663 3.939 -3.878 1.00 0.00 H new ATOM 1330 N LYS A 86 7.729 3.708 -6.589 1.00 0.00 N ATOM 1331 CA LYS A 86 7.479 3.139 -7.926 1.00 0.00 C ATOM 1332 C LYS A 86 8.678 3.316 -8.877 1.00 0.00 C ATOM 1333 O LYS A 86 8.977 2.397 -9.637 1.00 0.00 O ATOM 1334 CB LYS A 86 6.198 3.721 -8.570 1.00 0.00 C ATOM 1335 CG LYS A 86 6.196 5.250 -8.745 1.00 0.00 C ATOM 1336 CD LYS A 86 4.991 5.761 -9.549 1.00 0.00 C ATOM 1337 CE LYS A 86 4.971 5.224 -10.984 1.00 0.00 C ATOM 1338 NZ LYS A 86 3.928 5.882 -11.794 1.00 0.00 N ATOM 0 H LYS A 86 7.178 4.541 -6.381 1.00 0.00 H new ATOM 0 HA LYS A 86 7.333 2.070 -7.772 1.00 0.00 H new ATOM 0 HB2 LYS A 86 6.058 3.258 -9.547 1.00 0.00 H new ATOM 0 HB3 LYS A 86 5.341 3.439 -7.958 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.197 5.722 -7.763 1.00 0.00 H new ATOM 0 HG3 LYS A 86 7.115 5.554 -9.246 1.00 0.00 H new ATOM 0 HD2 LYS A 86 4.071 5.469 -9.043 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.010 6.851 -9.573 1.00 0.00 H new ATOM 0 HE2 LYS A 86 5.945 5.382 -11.446 1.00 0.00 H new ATOM 0 HE3 LYS A 86 4.796 4.148 -10.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.942 5.495 -12.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.996 5.710 -11.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.110 6.905 -11.829 1.00 0.00 H new ATOM 1352 N LEU A 87 9.373 4.482 -8.838 1.00 0.00 N ATOM 1353 CA LEU A 87 10.482 4.750 -9.786 1.00 0.00 C ATOM 1354 C LEU A 87 11.682 3.832 -9.501 1.00 0.00 C ATOM 1355 O LEU A 87 12.325 3.338 -10.434 1.00 0.00 O ATOM 1356 CB LEU A 87 10.859 6.280 -9.843 1.00 0.00 C ATOM 1357 CG LEU A 87 11.288 7.027 -8.524 1.00 0.00 C ATOM 1358 CD1 LEU A 87 12.749 6.752 -8.103 1.00 0.00 C ATOM 1359 CD2 LEU A 87 11.037 8.554 -8.630 1.00 0.00 C ATOM 0 H LEU A 87 9.190 5.236 -8.175 1.00 0.00 H new ATOM 0 HA LEU A 87 10.136 4.505 -10.790 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.674 6.388 -10.559 1.00 0.00 H new ATOM 0 HB3 LEU A 87 10.001 6.812 -10.254 1.00 0.00 H new ATOM 0 HG LEU A 87 10.654 6.615 -7.739 1.00 0.00 H new ATOM 0 HD11 LEU A 87 12.973 7.299 -7.187 1.00 0.00 H new ATOM 0 HD12 LEU A 87 12.883 5.684 -7.930 1.00 0.00 H new ATOM 0 HD13 LEU A 87 13.423 7.078 -8.895 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.344 9.038 -7.703 1.00 0.00 H new ATOM 0 HD22 LEU A 87 11.614 8.961 -9.460 1.00 0.00 H new ATOM 0 HD23 LEU A 87 9.976 8.737 -8.801 1.00 0.00 H new ATOM 1371 N LYS A 88 11.969 3.594 -8.203 1.00 0.00 N ATOM 1372 CA LYS A 88 13.049 2.683 -7.790 1.00 0.00 C ATOM 1373 C LYS A 88 12.634 1.209 -7.941 1.00 0.00 C ATOM 1374 O LYS A 88 13.481 0.347 -8.167 1.00 0.00 O ATOM 1375 CB LYS A 88 13.556 2.993 -6.356 1.00 0.00 C ATOM 1376 CG LYS A 88 12.593 2.671 -5.195 1.00 0.00 C ATOM 1377 CD LYS A 88 13.318 2.707 -3.826 1.00 0.00 C ATOM 1378 CE LYS A 88 12.383 2.406 -2.652 1.00 0.00 C ATOM 1379 NZ LYS A 88 11.373 3.471 -2.479 1.00 0.00 N ATOM 0 H LYS A 88 11.466 4.022 -7.426 1.00 0.00 H new ATOM 0 HA LYS A 88 13.887 2.856 -8.465 1.00 0.00 H new ATOM 0 HB2 LYS A 88 14.480 2.438 -6.195 1.00 0.00 H new ATOM 0 HB3 LYS A 88 13.807 4.052 -6.306 1.00 0.00 H new ATOM 0 HG2 LYS A 88 11.773 3.389 -5.192 1.00 0.00 H new ATOM 0 HG3 LYS A 88 12.153 1.686 -5.349 1.00 0.00 H new ATOM 0 HD2 LYS A 88 14.132 1.982 -3.832 1.00 0.00 H new ATOM 0 HD3 LYS A 88 13.768 3.690 -3.684 1.00 0.00 H new ATOM 0 HE2 LYS A 88 11.883 1.452 -2.819 1.00 0.00 H new ATOM 0 HE3 LYS A 88 12.967 2.304 -1.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 11.585 4.014 -1.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 11.393 4.106 -3.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.429 3.043 -2.395 1.00 0.00 H new ATOM 1393 N ALA A 89 11.321 0.923 -7.791 1.00 0.00 N ATOM 1394 CA ALA A 89 10.747 -0.415 -8.076 1.00 0.00 C ATOM 1395 C ALA A 89 10.916 -0.810 -9.552 1.00 0.00 C ATOM 1396 O ALA A 89 11.104 -1.984 -9.871 1.00 0.00 O ATOM 1397 CB ALA A 89 9.270 -0.475 -7.669 1.00 0.00 C ATOM 0 H ALA A 89 10.633 1.605 -7.472 1.00 0.00 H new ATOM 0 HA ALA A 89 11.303 -1.137 -7.477 1.00 0.00 H new ATOM 0 HB1 ALA A 89 8.872 -1.466 -7.888 1.00 0.00 H new ATOM 0 HB2 ALA A 89 9.178 -0.275 -6.601 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.708 0.273 -8.228 1.00 0.00 H new