USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 690 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 10 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0206) USER MOD Single : A 11 GLN : amide:sc= -0.0101 X(o=-0.01,f=0) USER MOD Single : A 17 ASN : amide:sc= -0.595 K(o=-0.59,f=-2) USER MOD Single : A 18 THR OG1 : rot 114:sc= -0.352 USER MOD Single : A 20 TYR OH : rot 180:sc= -0.668 USER MOD Single : A 22 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.0141) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 153:sc= 0.0935 USER MOD Single : A 35 SER OG : rot 180:sc= 0.0901 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl -165:sc=-0.00605 (180deg=-0.268) USER MOD Single : A 40 HIS : no HD1:sc= -6.9! C(o=-6.9!,f=-6.7!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.771 K(o=-0.77,f=-1.6!) USER MOD Single : A 60 CYS SG : rot -34:sc= 0.0393 USER MOD Single : A 65 LYS NZ :NH3+ -127:sc= -1.25 (180deg=-3.97!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= -0.473 USER MOD Single : A 74 ASN : amide:sc= -0.0698 K(o=-0.07,f=-0.72) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.0636 K(o=-0.064,f=-1.2!) USER MOD Single : A 81 LYS NZ :NH3+ 164:sc= -0.877 (180deg=-1.83!) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 5.581 9.241 -13.901 1.00 0.00 N ATOM 60 CA GLY A 7 6.708 8.339 -13.737 1.00 0.00 C ATOM 61 C GLY A 7 6.630 7.602 -12.398 1.00 0.00 C ATOM 62 O GLY A 7 7.446 6.724 -12.120 1.00 0.00 O ATOM 0 HA2 GLY A 7 6.722 7.617 -14.553 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.640 8.902 -13.793 1.00 0.00 H new ATOM 66 N LEU A 8 5.642 7.987 -11.604 1.00 0.00 N ATOM 67 CA LEU A 8 5.447 7.374 -10.301 1.00 0.00 C ATOM 68 C LEU A 8 5.138 5.886 -10.483 1.00 0.00 C ATOM 69 O LEU A 8 5.706 5.042 -9.793 1.00 0.00 O ATOM 70 CB LEU A 8 4.380 8.131 -9.507 1.00 0.00 C ATOM 71 CG LEU A 8 4.511 9.655 -9.492 1.00 0.00 C ATOM 72 CD1 LEU A 8 3.321 10.300 -8.779 1.00 0.00 C ATOM 73 CD2 LEU A 8 5.847 10.085 -8.883 1.00 0.00 C ATOM 0 H LEU A 8 4.968 8.716 -11.838 1.00 0.00 H new ATOM 0 HA LEU A 8 6.359 7.440 -9.708 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.402 7.874 -9.914 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.400 7.774 -8.477 1.00 0.00 H new ATOM 0 HG LEU A 8 4.499 10.009 -10.523 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.439 11.384 -8.782 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.399 10.034 -9.296 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.276 9.943 -7.750 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.914 11.173 -8.885 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.915 9.719 -7.859 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.665 9.670 -9.471 1.00 0.00 H new ATOM 85 N ARG A 9 4.237 5.612 -11.416 1.00 0.00 N ATOM 86 CA ARG A 9 3.846 4.241 -11.697 1.00 0.00 C ATOM 87 C ARG A 9 5.060 3.314 -11.609 1.00 0.00 C ATOM 88 O ARG A 9 5.041 2.329 -10.873 1.00 0.00 O ATOM 89 CB ARG A 9 3.221 4.121 -13.089 1.00 0.00 C ATOM 90 CG ARG A 9 2.044 5.086 -13.246 1.00 0.00 C ATOM 91 CD ARG A 9 0.908 4.439 -14.042 1.00 0.00 C ATOM 92 NE ARG A 9 0.836 5.035 -15.395 1.00 0.00 N ATOM 93 CZ ARG A 9 0.157 6.153 -15.688 1.00 0.00 C ATOM 94 NH1 ARG A 9 -0.511 6.803 -14.726 1.00 0.00 N ATOM 95 NH2 ARG A 9 0.147 6.621 -16.944 1.00 0.00 N ATOM 0 H ARG A 9 3.767 6.315 -11.986 1.00 0.00 H new ATOM 0 HA ARG A 9 3.106 3.948 -10.952 1.00 0.00 H new ATOM 0 HB2 ARG A 9 3.973 4.333 -13.849 1.00 0.00 H new ATOM 0 HB3 ARG A 9 2.882 3.098 -13.252 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.680 5.385 -12.263 1.00 0.00 H new ATOM 0 HG3 ARG A 9 2.377 5.992 -13.751 1.00 0.00 H new ATOM 0 HD2 ARG A 9 1.072 3.364 -14.117 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.039 4.582 -13.522 1.00 0.00 H new ATOM 0 HE ARG A 9 1.334 4.566 -16.151 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -0.503 6.447 -13.770 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -1.028 7.654 -14.949 1.00 0.00 H new ATOM 0 HH21 ARG A 9 0.656 6.126 -17.677 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -0.370 7.472 -17.167 1.00 0.00 H new ATOM 109 N LYS A 10 6.086 3.661 -12.371 1.00 0.00 N ATOM 110 CA LYS A 10 7.306 2.872 -12.389 1.00 0.00 C ATOM 111 C LYS A 10 7.887 2.807 -10.975 1.00 0.00 C ATOM 112 O LYS A 10 8.249 1.733 -10.497 1.00 0.00 O ATOM 113 CB LYS A 10 8.284 3.420 -13.431 1.00 0.00 C ATOM 114 CG LYS A 10 7.711 3.287 -14.843 1.00 0.00 C ATOM 115 CD LYS A 10 7.698 1.826 -15.295 1.00 0.00 C ATOM 116 CE LYS A 10 8.824 1.550 -16.292 1.00 0.00 C ATOM 117 NZ LYS A 10 10.128 1.480 -15.595 1.00 0.00 N ATOM 0 H LYS A 10 6.098 4.478 -12.981 1.00 0.00 H new ATOM 0 HA LYS A 10 7.092 1.848 -12.694 1.00 0.00 H new ATOM 0 HB2 LYS A 10 8.498 4.467 -13.219 1.00 0.00 H new ATOM 0 HB3 LYS A 10 9.230 2.882 -13.366 1.00 0.00 H new ATOM 0 HG2 LYS A 10 6.698 3.688 -14.867 1.00 0.00 H new ATOM 0 HG3 LYS A 10 8.305 3.881 -15.538 1.00 0.00 H new ATOM 0 HD2 LYS A 10 7.806 1.173 -14.429 1.00 0.00 H new ATOM 0 HD3 LYS A 10 6.737 1.592 -15.753 1.00 0.00 H new ATOM 0 HE2 LYS A 10 8.633 0.613 -16.814 1.00 0.00 H new ATOM 0 HE3 LYS A 10 8.850 2.336 -17.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 10.875 1.242 -16.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 10.338 2.400 -15.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 10.088 0.748 -14.857 1.00 0.00 H new ATOM 131 N GLN A 11 7.958 3.971 -10.345 1.00 0.00 N ATOM 132 CA GLN A 11 8.489 4.060 -8.995 1.00 0.00 C ATOM 133 C GLN A 11 7.683 3.168 -8.048 1.00 0.00 C ATOM 134 O GLN A 11 8.249 2.330 -7.348 1.00 0.00 O ATOM 135 CB GLN A 11 8.501 5.509 -8.505 1.00 0.00 C ATOM 136 CG GLN A 11 9.082 6.443 -9.570 1.00 0.00 C ATOM 137 CD GLN A 11 10.039 7.460 -8.944 1.00 0.00 C ATOM 138 OE1 GLN A 11 11.221 7.213 -8.770 1.00 0.00 O ATOM 139 NE2 GLN A 11 9.464 8.614 -8.618 1.00 0.00 N ATOM 0 H GLN A 11 7.657 4.860 -10.744 1.00 0.00 H new ATOM 0 HA GLN A 11 9.520 3.706 -9.007 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.487 5.821 -8.257 1.00 0.00 H new ATOM 0 HB3 GLN A 11 9.090 5.583 -7.591 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.609 5.858 -10.323 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.273 6.966 -10.081 1.00 0.00 H new ATOM 0 HE21 GLN A 11 8.469 8.755 -8.791 1.00 0.00 H new ATOM 0 HE22 GLN A 11 10.018 9.358 -8.195 1.00 0.00 H new ATOM 148 N VAL A 12 6.375 3.379 -8.058 1.00 0.00 N ATOM 149 CA VAL A 12 5.486 2.605 -7.209 1.00 0.00 C ATOM 150 C VAL A 12 5.774 1.114 -7.401 1.00 0.00 C ATOM 151 O VAL A 12 6.066 0.406 -6.439 1.00 0.00 O ATOM 152 CB VAL A 12 4.030 2.975 -7.500 1.00 0.00 C ATOM 153 CG1 VAL A 12 3.072 2.153 -6.635 1.00 0.00 C ATOM 154 CG2 VAL A 12 3.796 4.474 -7.305 1.00 0.00 C ATOM 0 H VAL A 12 5.910 4.075 -8.641 1.00 0.00 H new ATOM 0 HA VAL A 12 5.663 2.838 -6.159 1.00 0.00 H new ATOM 0 HB VAL A 12 3.826 2.737 -8.544 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.044 2.436 -6.862 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.212 1.092 -6.845 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.277 2.345 -5.582 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.753 4.710 -7.518 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.027 4.747 -6.275 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.441 5.034 -7.982 1.00 0.00 H new ATOM 164 N GLU A 13 5.682 0.683 -8.650 1.00 0.00 N ATOM 165 CA GLU A 13 5.929 -0.711 -8.980 1.00 0.00 C ATOM 166 C GLU A 13 7.152 -1.227 -8.221 1.00 0.00 C ATOM 167 O GLU A 13 7.086 -2.263 -7.560 1.00 0.00 O ATOM 168 CB GLU A 13 6.102 -0.894 -10.489 1.00 0.00 C ATOM 169 CG GLU A 13 4.849 -0.446 -11.244 1.00 0.00 C ATOM 170 CD GLU A 13 3.960 -1.642 -11.589 1.00 0.00 C ATOM 171 OE1 GLU A 13 3.543 -2.333 -10.635 1.00 0.00 O ATOM 172 OE2 GLU A 13 3.717 -1.838 -12.800 1.00 0.00 O ATOM 0 H GLU A 13 5.440 1.274 -9.446 1.00 0.00 H new ATOM 0 HA GLU A 13 5.062 -1.296 -8.673 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.962 -0.319 -10.832 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.309 -1.941 -10.710 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.289 0.265 -10.637 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.137 0.073 -12.158 1.00 0.00 H new ATOM 179 N LEU A 14 8.241 -0.482 -8.341 1.00 0.00 N ATOM 180 CA LEU A 14 9.478 -0.852 -7.674 1.00 0.00 C ATOM 181 C LEU A 14 9.227 -0.964 -6.168 1.00 0.00 C ATOM 182 O LEU A 14 9.656 -1.926 -5.534 1.00 0.00 O ATOM 183 CB LEU A 14 10.597 0.125 -8.040 1.00 0.00 C ATOM 184 CG LEU A 14 11.988 -0.216 -7.501 1.00 0.00 C ATOM 185 CD1 LEU A 14 12.414 -1.621 -7.931 1.00 0.00 C ATOM 186 CD2 LEU A 14 13.011 0.845 -7.913 1.00 0.00 C ATOM 0 H LEU A 14 8.293 0.376 -8.890 1.00 0.00 H new ATOM 0 HA LEU A 14 9.817 -1.830 -8.015 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.656 0.189 -9.127 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.321 1.115 -7.677 1.00 0.00 H new ATOM 0 HG LEU A 14 11.942 -0.213 -6.412 1.00 0.00 H new ATOM 0 HD11 LEU A 14 13.406 -1.838 -7.535 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.702 -2.351 -7.546 1.00 0.00 H new ATOM 0 HD13 LEU A 14 12.438 -1.677 -9.019 1.00 0.00 H new ATOM 0 HD21 LEU A 14 13.991 0.579 -7.517 1.00 0.00 H new ATOM 0 HD22 LEU A 14 13.061 0.899 -9.000 1.00 0.00 H new ATOM 0 HD23 LEU A 14 12.710 1.814 -7.515 1.00 0.00 H new ATOM 198 N LEU A 15 8.533 0.034 -5.641 1.00 0.00 N ATOM 199 CA LEU A 15 8.220 0.060 -4.222 1.00 0.00 C ATOM 200 C LEU A 15 7.488 -1.229 -3.843 1.00 0.00 C ATOM 201 O LEU A 15 7.975 -2.005 -3.022 1.00 0.00 O ATOM 202 CB LEU A 15 7.449 1.333 -3.867 1.00 0.00 C ATOM 203 CG LEU A 15 6.828 1.373 -2.469 1.00 0.00 C ATOM 204 CD1 LEU A 15 7.905 1.271 -1.388 1.00 0.00 C ATOM 205 CD2 LEU A 15 5.954 2.616 -2.293 1.00 0.00 C ATOM 0 H LEU A 15 8.179 0.830 -6.171 1.00 0.00 H new ATOM 0 HA LEU A 15 9.134 0.094 -3.630 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.124 2.183 -3.968 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.654 1.469 -4.600 1.00 0.00 H new ATOM 0 HG LEU A 15 6.178 0.505 -2.358 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.437 1.302 -0.404 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.448 0.333 -1.502 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.599 2.106 -1.486 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.525 2.620 -1.291 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.561 3.510 -2.431 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.152 2.604 -3.031 1.00 0.00 H new ATOM 217 N PHE A 16 6.329 -1.416 -4.457 1.00 0.00 N ATOM 218 CA PHE A 16 5.525 -2.597 -4.194 1.00 0.00 C ATOM 219 C PHE A 16 6.328 -3.875 -4.445 1.00 0.00 C ATOM 220 O PHE A 16 6.441 -4.725 -3.564 1.00 0.00 O ATOM 221 CB PHE A 16 4.339 -2.556 -5.160 1.00 0.00 C ATOM 222 CG PHE A 16 3.298 -1.488 -4.822 1.00 0.00 C ATOM 223 CD1 PHE A 16 3.557 -0.567 -3.855 1.00 0.00 C ATOM 224 CD2 PHE A 16 2.113 -1.458 -5.489 1.00 0.00 C ATOM 225 CE1 PHE A 16 2.590 0.424 -3.541 1.00 0.00 C ATOM 226 CE2 PHE A 16 1.146 -0.467 -5.175 1.00 0.00 C ATOM 227 CZ PHE A 16 1.405 0.454 -4.207 1.00 0.00 C ATOM 0 H PHE A 16 5.928 -0.769 -5.136 1.00 0.00 H new ATOM 0 HA PHE A 16 5.202 -2.602 -3.153 1.00 0.00 H new ATOM 0 HB2 PHE A 16 4.711 -2.379 -6.169 1.00 0.00 H new ATOM 0 HB3 PHE A 16 3.854 -3.532 -5.166 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.498 -0.590 -3.326 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.908 -2.188 -6.258 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.796 1.154 -2.773 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.205 -0.444 -5.704 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.670 1.208 -3.968 1.00 0.00 H new ATOM 237 N ASN A 17 6.865 -3.970 -5.653 1.00 0.00 N ATOM 238 CA ASN A 17 7.655 -5.130 -6.031 1.00 0.00 C ATOM 239 C ASN A 17 8.772 -5.337 -5.007 1.00 0.00 C ATOM 240 O ASN A 17 8.981 -6.451 -4.528 1.00 0.00 O ATOM 241 CB ASN A 17 8.303 -4.931 -7.403 1.00 0.00 C ATOM 242 CG ASN A 17 7.277 -5.107 -8.525 1.00 0.00 C ATOM 243 OD1 ASN A 17 6.158 -4.625 -8.459 1.00 0.00 O ATOM 244 ND2 ASN A 17 7.719 -5.823 -9.555 1.00 0.00 N ATOM 0 H ASN A 17 6.769 -3.263 -6.382 1.00 0.00 H new ATOM 0 HA ASN A 17 6.990 -5.993 -6.067 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.743 -3.935 -7.460 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.115 -5.646 -7.533 1.00 0.00 H new ATOM 0 HD21 ASN A 17 7.109 -5.997 -10.354 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.668 -6.198 -9.546 1.00 0.00 H new ATOM 251 N THR A 18 9.461 -4.248 -4.701 1.00 0.00 N ATOM 252 CA THR A 18 10.551 -4.296 -3.742 1.00 0.00 C ATOM 253 C THR A 18 10.048 -4.795 -2.386 1.00 0.00 C ATOM 254 O THR A 18 10.582 -5.758 -1.837 1.00 0.00 O ATOM 255 CB THR A 18 11.188 -2.907 -3.679 1.00 0.00 C ATOM 256 OG1 THR A 18 11.837 -2.765 -4.940 1.00 0.00 O ATOM 257 CG2 THR A 18 12.330 -2.831 -2.663 1.00 0.00 C ATOM 0 H THR A 18 9.285 -3.326 -5.101 1.00 0.00 H new ATOM 0 HA THR A 18 11.317 -5.007 -4.051 1.00 0.00 H new ATOM 0 HB THR A 18 10.426 -2.170 -3.425 1.00 0.00 H new ATOM 0 HG1 THR A 18 11.401 -2.053 -5.454 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.747 -1.824 -2.659 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.950 -3.071 -1.670 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.108 -3.544 -2.936 1.00 0.00 H new ATOM 265 N ARG A 19 9.025 -4.118 -1.885 1.00 0.00 N ATOM 266 CA ARG A 19 8.443 -4.481 -0.604 1.00 0.00 C ATOM 267 C ARG A 19 8.111 -5.974 -0.575 1.00 0.00 C ATOM 268 O ARG A 19 8.409 -6.661 0.401 1.00 0.00 O ATOM 269 CB ARG A 19 7.170 -3.677 -0.330 1.00 0.00 C ATOM 270 CG ARG A 19 7.491 -2.196 -0.120 1.00 0.00 C ATOM 271 CD ARG A 19 8.018 -1.945 1.294 1.00 0.00 C ATOM 272 NE ARG A 19 8.803 -0.691 1.327 1.00 0.00 N ATOM 273 CZ ARG A 19 9.984 -0.527 0.715 1.00 0.00 C ATOM 274 NH1 ARG A 19 10.524 -1.537 0.020 1.00 0.00 N ATOM 275 NH2 ARG A 19 10.625 0.647 0.798 1.00 0.00 N ATOM 0 H ARG A 19 8.584 -3.320 -2.343 1.00 0.00 H new ATOM 0 HA ARG A 19 9.177 -4.254 0.169 1.00 0.00 H new ATOM 0 HB2 ARG A 19 6.479 -3.788 -1.165 1.00 0.00 H new ATOM 0 HB3 ARG A 19 6.669 -4.073 0.553 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.233 -1.874 -0.851 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.595 -1.598 -0.290 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.186 -1.881 1.995 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.640 -2.781 1.613 1.00 0.00 H new ATOM 0 HE ARG A 19 8.421 0.098 1.848 1.00 0.00 H new ATOM 0 HH11 ARG A 19 10.036 -2.431 -0.043 1.00 0.00 H new ATOM 0 HH12 ARG A 19 11.423 -1.412 -0.446 1.00 0.00 H new ATOM 0 HH21 ARG A 19 10.214 1.416 1.327 1.00 0.00 H new ATOM 0 HH22 ARG A 19 11.524 0.771 0.332 1.00 0.00 H new ATOM 289 N TYR A 20 7.499 -6.433 -1.657 1.00 0.00 N ATOM 290 CA TYR A 20 7.124 -7.832 -1.768 1.00 0.00 C ATOM 291 C TYR A 20 8.317 -8.744 -1.475 1.00 0.00 C ATOM 292 O TYR A 20 8.194 -9.712 -0.725 1.00 0.00 O ATOM 293 CB TYR A 20 6.685 -8.037 -3.220 1.00 0.00 C ATOM 294 CG TYR A 20 5.979 -9.370 -3.473 1.00 0.00 C ATOM 295 CD1 TYR A 20 4.850 -9.702 -2.752 1.00 0.00 C ATOM 296 CD2 TYR A 20 6.470 -10.242 -4.425 1.00 0.00 C ATOM 297 CE1 TYR A 20 4.186 -10.957 -2.991 1.00 0.00 C ATOM 298 CE2 TYR A 20 5.806 -11.496 -4.664 1.00 0.00 C ATOM 299 CZ TYR A 20 4.696 -11.792 -3.935 1.00 0.00 C ATOM 300 OH TYR A 20 4.068 -12.977 -4.160 1.00 0.00 O ATOM 0 H TYR A 20 7.254 -5.860 -2.465 1.00 0.00 H new ATOM 0 HA TYR A 20 6.337 -8.076 -1.055 1.00 0.00 H new ATOM 0 HB2 TYR A 20 6.018 -7.224 -3.505 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.560 -7.973 -3.866 1.00 0.00 H new ATOM 0 HD1 TYR A 20 4.464 -9.020 -2.008 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.353 -9.982 -4.990 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.302 -11.229 -2.433 1.00 0.00 H new ATOM 0 HE2 TYR A 20 6.180 -12.187 -5.405 1.00 0.00 H new ATOM 0 HH TYR A 20 4.542 -13.470 -4.862 1.00 0.00 H new ATOM 310 N ALA A 21 9.444 -8.404 -2.082 1.00 0.00 N ATOM 311 CA ALA A 21 10.658 -9.181 -1.896 1.00 0.00 C ATOM 312 C ALA A 21 10.873 -9.433 -0.402 1.00 0.00 C ATOM 313 O ALA A 21 11.112 -10.567 0.011 1.00 0.00 O ATOM 314 CB ALA A 21 11.837 -8.447 -2.539 1.00 0.00 C ATOM 0 H ALA A 21 9.542 -7.601 -2.703 1.00 0.00 H new ATOM 0 HA ALA A 21 10.572 -10.151 -2.385 1.00 0.00 H new ATOM 0 HB1 ALA A 21 12.748 -9.029 -2.400 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.648 -8.318 -3.605 1.00 0.00 H new ATOM 0 HB3 ALA A 21 11.956 -7.470 -2.071 1.00 0.00 H new ATOM 320 N LYS A 22 10.780 -8.358 0.366 1.00 0.00 N ATOM 321 CA LYS A 22 10.961 -8.449 1.805 1.00 0.00 C ATOM 322 C LYS A 22 9.932 -9.422 2.384 1.00 0.00 C ATOM 323 O LYS A 22 10.186 -10.068 3.399 1.00 0.00 O ATOM 324 CB LYS A 22 10.916 -7.057 2.439 1.00 0.00 C ATOM 325 CG LYS A 22 11.421 -7.096 3.883 1.00 0.00 C ATOM 326 CD LYS A 22 11.545 -5.684 4.459 1.00 0.00 C ATOM 327 CE LYS A 22 12.334 -5.693 5.770 1.00 0.00 C ATOM 328 NZ LYS A 22 13.786 -5.787 5.499 1.00 0.00 N ATOM 0 H LYS A 22 10.582 -7.419 0.019 1.00 0.00 H new ATOM 0 HA LYS A 22 11.947 -8.850 2.041 1.00 0.00 H new ATOM 0 HB2 LYS A 22 11.526 -6.368 1.855 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.895 -6.676 2.417 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.737 -7.684 4.495 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.390 -7.594 3.920 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.041 -5.035 3.737 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.552 -5.269 4.631 1.00 0.00 H new ATOM 0 HE2 LYS A 22 12.121 -4.786 6.336 1.00 0.00 H new ATOM 0 HE3 LYS A 22 12.018 -6.535 6.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.236 -6.384 6.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.937 -6.207 4.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.206 -4.836 5.525 1.00 0.00 H new ATOM 342 N ALA A 23 8.792 -9.496 1.713 1.00 0.00 N ATOM 343 CA ALA A 23 7.723 -10.379 2.148 1.00 0.00 C ATOM 344 C ALA A 23 8.094 -11.825 1.812 1.00 0.00 C ATOM 345 O ALA A 23 7.477 -12.762 2.316 1.00 0.00 O ATOM 346 CB ALA A 23 6.408 -9.949 1.497 1.00 0.00 C ATOM 0 H ALA A 23 8.585 -8.959 0.871 1.00 0.00 H new ATOM 0 HA ALA A 23 7.588 -10.315 3.228 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.607 -10.612 1.824 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.175 -8.925 1.790 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.504 -10.003 0.413 1.00 0.00 H new ATOM 352 N ILE A 24 9.102 -11.961 0.962 1.00 0.00 N ATOM 353 CA ILE A 24 9.562 -13.277 0.552 1.00 0.00 C ATOM 354 C ILE A 24 11.036 -13.437 0.929 1.00 0.00 C ATOM 355 O ILE A 24 11.667 -14.433 0.576 1.00 0.00 O ATOM 356 CB ILE A 24 9.279 -13.505 -0.934 1.00 0.00 C ATOM 357 CG1 ILE A 24 9.816 -12.348 -1.779 1.00 0.00 C ATOM 358 CG2 ILE A 24 7.789 -13.750 -1.178 1.00 0.00 C ATOM 359 CD1 ILE A 24 9.759 -12.684 -3.270 1.00 0.00 C ATOM 0 H ILE A 24 9.613 -11.182 0.546 1.00 0.00 H new ATOM 0 HA ILE A 24 9.011 -14.055 1.080 1.00 0.00 H new ATOM 0 HB ILE A 24 9.808 -14.405 -1.248 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.232 -11.449 -1.583 1.00 0.00 H new ATOM 0 HG13 ILE A 24 10.844 -12.130 -1.491 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.616 -13.909 -2.242 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.470 -14.632 -0.623 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.218 -12.884 -0.843 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.147 -11.845 -3.847 1.00 0.00 H new ATOM 0 HD12 ILE A 24 10.363 -13.569 -3.467 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.726 -12.878 -3.560 1.00 0.00 H new ATOM 371 N GLY A 25 11.543 -12.441 1.641 1.00 0.00 N ATOM 372 CA GLY A 25 12.932 -12.459 2.069 1.00 0.00 C ATOM 373 C GLY A 25 13.876 -12.282 0.878 1.00 0.00 C ATOM 374 O GLY A 25 14.983 -12.819 0.874 1.00 0.00 O ATOM 0 H GLY A 25 11.017 -11.617 1.932 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.103 -11.663 2.794 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.149 -13.401 2.572 1.00 0.00 H new ATOM 378 N ILE A 26 13.403 -11.529 -0.104 1.00 0.00 N ATOM 379 CA ILE A 26 14.191 -11.275 -1.298 1.00 0.00 C ATOM 380 C ILE A 26 14.740 -9.848 -1.248 1.00 0.00 C ATOM 381 O ILE A 26 14.077 -8.941 -0.747 1.00 0.00 O ATOM 382 CB ILE A 26 13.371 -11.574 -2.555 1.00 0.00 C ATOM 383 CG1 ILE A 26 13.136 -13.078 -2.711 1.00 0.00 C ATOM 384 CG2 ILE A 26 14.027 -10.965 -3.795 1.00 0.00 C ATOM 385 CD1 ILE A 26 12.975 -13.458 -4.184 1.00 0.00 C ATOM 0 H ILE A 26 12.484 -11.087 -0.097 1.00 0.00 H new ATOM 0 HA ILE A 26 15.049 -11.946 -1.337 1.00 0.00 H new ATOM 0 HB ILE A 26 12.393 -11.105 -2.445 1.00 0.00 H new ATOM 0 HG12 ILE A 26 13.973 -13.627 -2.280 1.00 0.00 H new ATOM 0 HG13 ILE A 26 12.244 -13.370 -2.157 1.00 0.00 H new ATOM 0 HG21 ILE A 26 13.424 -11.192 -4.674 1.00 0.00 H new ATOM 0 HG22 ILE A 26 14.100 -9.884 -3.674 1.00 0.00 H new ATOM 0 HG23 ILE A 26 15.025 -11.384 -3.921 1.00 0.00 H new ATOM 0 HD11 ILE A 26 12.809 -14.532 -4.267 1.00 0.00 H new ATOM 0 HD12 ILE A 26 12.123 -12.926 -4.606 1.00 0.00 H new ATOM 0 HD13 ILE A 26 13.878 -13.187 -4.730 1.00 0.00 H new ATOM 397 N SER A 27 15.947 -9.693 -1.773 1.00 0.00 N ATOM 398 CA SER A 27 16.593 -8.392 -1.795 1.00 0.00 C ATOM 399 C SER A 27 16.144 -7.605 -3.027 1.00 0.00 C ATOM 400 O SER A 27 15.948 -6.393 -2.957 1.00 0.00 O ATOM 401 CB SER A 27 18.116 -8.533 -1.780 1.00 0.00 C ATOM 402 OG SER A 27 18.607 -9.140 -2.972 1.00 0.00 O ATOM 0 H SER A 27 16.495 -10.448 -2.187 1.00 0.00 H new ATOM 0 HA SER A 27 16.297 -7.848 -0.898 1.00 0.00 H new ATOM 0 HB2 SER A 27 18.570 -7.549 -1.660 1.00 0.00 H new ATOM 0 HB3 SER A 27 18.417 -9.130 -0.919 1.00 0.00 H new ATOM 0 HG SER A 27 19.583 -9.211 -2.925 1.00 0.00 H new ATOM 408 N GLU A 28 15.994 -8.327 -4.128 1.00 0.00 N ATOM 409 CA GLU A 28 15.572 -7.711 -5.375 1.00 0.00 C ATOM 410 C GLU A 28 14.047 -7.590 -5.418 1.00 0.00 C ATOM 411 O GLU A 28 13.345 -8.286 -4.686 1.00 0.00 O ATOM 412 CB GLU A 28 16.093 -8.498 -6.579 1.00 0.00 C ATOM 413 CG GLU A 28 15.388 -9.851 -6.697 1.00 0.00 C ATOM 414 CD GLU A 28 15.299 -10.298 -8.157 1.00 0.00 C ATOM 415 OE1 GLU A 28 14.913 -9.448 -8.988 1.00 0.00 O ATOM 416 OE2 GLU A 28 15.620 -11.479 -8.410 1.00 0.00 O ATOM 0 H GLU A 28 16.157 -9.332 -4.183 1.00 0.00 H new ATOM 0 HA GLU A 28 15.998 -6.709 -5.425 1.00 0.00 H new ATOM 0 HB2 GLU A 28 15.936 -7.921 -7.490 1.00 0.00 H new ATOM 0 HB3 GLU A 28 17.168 -8.651 -6.480 1.00 0.00 H new ATOM 0 HG2 GLU A 28 15.929 -10.599 -6.117 1.00 0.00 H new ATOM 0 HG3 GLU A 28 14.386 -9.781 -6.273 1.00 0.00 H new ATOM 423 N PRO A 29 13.568 -6.677 -6.305 1.00 0.00 N ATOM 424 CA PRO A 29 12.140 -6.456 -6.452 1.00 0.00 C ATOM 425 C PRO A 29 11.484 -7.602 -7.225 1.00 0.00 C ATOM 426 O PRO A 29 11.996 -8.033 -8.257 1.00 0.00 O ATOM 427 CB PRO A 29 12.020 -5.117 -7.162 1.00 0.00 C ATOM 428 CG PRO A 29 13.377 -4.860 -7.797 1.00 0.00 C ATOM 429 CD PRO A 29 14.370 -5.835 -7.187 1.00 0.00 C ATOM 0 HA PRO A 29 11.618 -6.434 -5.495 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.234 -5.144 -7.917 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.761 -4.324 -6.460 1.00 0.00 H new ATOM 0 HG2 PRO A 29 13.324 -4.995 -8.877 1.00 0.00 H new ATOM 0 HG3 PRO A 29 13.693 -3.832 -7.619 1.00 0.00 H new ATOM 0 HD2 PRO A 29 14.867 -6.427 -7.956 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.150 -5.312 -6.634 1.00 0.00 H new ATOM 437 N VAL A 30 10.361 -8.064 -6.695 1.00 0.00 N ATOM 438 CA VAL A 30 9.629 -9.152 -7.322 1.00 0.00 C ATOM 439 C VAL A 30 8.217 -8.678 -7.669 1.00 0.00 C ATOM 440 O VAL A 30 7.775 -7.632 -7.195 1.00 0.00 O ATOM 441 CB VAL A 30 9.641 -10.382 -6.412 1.00 0.00 C ATOM 442 CG1 VAL A 30 8.672 -11.450 -6.923 1.00 0.00 C ATOM 443 CG2 VAL A 30 11.056 -10.947 -6.273 1.00 0.00 C ATOM 0 H VAL A 30 9.940 -7.705 -5.838 1.00 0.00 H new ATOM 0 HA VAL A 30 10.109 -9.449 -8.254 1.00 0.00 H new ATOM 0 HB VAL A 30 9.306 -10.071 -5.423 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.699 -12.314 -6.259 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.661 -11.043 -6.947 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.964 -11.755 -7.928 1.00 0.00 H new ATOM 0 HG21 VAL A 30 11.037 -11.820 -5.621 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.431 -11.235 -7.255 1.00 0.00 H new ATOM 0 HG23 VAL A 30 11.710 -10.188 -5.843 1.00 0.00 H new ATOM 453 N LYS A 31 7.547 -9.470 -8.493 1.00 0.00 N ATOM 454 CA LYS A 31 6.193 -9.145 -8.909 1.00 0.00 C ATOM 455 C LYS A 31 5.257 -9.241 -7.703 1.00 0.00 C ATOM 456 O LYS A 31 5.511 -10.007 -6.775 1.00 0.00 O ATOM 457 CB LYS A 31 5.770 -10.022 -10.089 1.00 0.00 C ATOM 458 CG LYS A 31 6.619 -9.726 -11.326 1.00 0.00 C ATOM 459 CD LYS A 31 5.998 -10.346 -12.579 1.00 0.00 C ATOM 460 CE LYS A 31 6.912 -11.422 -13.169 1.00 0.00 C ATOM 461 NZ LYS A 31 6.799 -11.446 -14.645 1.00 0.00 N ATOM 0 H LYS A 31 7.917 -10.337 -8.884 1.00 0.00 H new ATOM 0 HA LYS A 31 6.141 -8.118 -9.271 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.869 -11.073 -9.819 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.718 -9.849 -10.316 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.713 -8.648 -11.458 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.626 -10.118 -11.183 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.030 -10.782 -12.332 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.818 -9.569 -13.322 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.945 -11.228 -12.881 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.645 -12.397 -12.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.426 -12.182 -15.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.816 -11.653 -14.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.076 -10.520 -15.029 1.00 0.00 H new ATOM 475 N VAL A 32 4.193 -8.452 -7.756 1.00 0.00 N ATOM 476 CA VAL A 32 3.218 -8.439 -6.679 1.00 0.00 C ATOM 477 C VAL A 32 1.886 -8.986 -7.197 1.00 0.00 C ATOM 478 O VAL A 32 1.266 -8.390 -8.077 1.00 0.00 O ATOM 479 CB VAL A 32 3.099 -7.029 -6.098 1.00 0.00 C ATOM 480 CG1 VAL A 32 1.740 -6.825 -5.425 1.00 0.00 C ATOM 481 CG2 VAL A 32 4.243 -6.740 -5.123 1.00 0.00 C ATOM 0 H VAL A 32 3.985 -7.818 -8.527 1.00 0.00 H new ATOM 0 HA VAL A 32 3.541 -9.086 -5.863 1.00 0.00 H new ATOM 0 HB VAL A 32 3.173 -6.320 -6.922 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.682 -5.814 -5.021 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.946 -6.969 -6.158 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.622 -7.547 -4.616 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.135 -5.731 -4.724 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.214 -7.459 -4.304 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.196 -6.824 -5.645 1.00 0.00 H new ATOM 491 N PRO A 33 1.474 -10.144 -6.614 1.00 0.00 N ATOM 492 CA PRO A 33 0.228 -10.777 -7.007 1.00 0.00 C ATOM 493 C PRO A 33 -0.975 -10.022 -6.437 1.00 0.00 C ATOM 494 O PRO A 33 -1.671 -10.529 -5.559 1.00 0.00 O ATOM 495 CB PRO A 33 0.332 -12.204 -6.492 1.00 0.00 C ATOM 496 CG PRO A 33 1.422 -12.186 -5.433 1.00 0.00 C ATOM 497 CD PRO A 33 2.183 -10.877 -5.569 1.00 0.00 C ATOM 0 HA PRO A 33 0.074 -10.767 -8.086 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.616 -12.537 -6.071 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.582 -12.893 -7.299 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.988 -12.273 -4.437 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.095 -13.034 -5.563 1.00 0.00 H new ATOM 0 HD2 PRO A 33 2.189 -10.323 -4.630 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.224 -11.050 -5.843 1.00 0.00 H new ATOM 505 N TYR A 34 -1.182 -8.823 -6.960 1.00 0.00 N ATOM 506 CA TYR A 34 -2.289 -7.993 -6.515 1.00 0.00 C ATOM 507 C TYR A 34 -3.524 -8.843 -6.210 1.00 0.00 C ATOM 508 O TYR A 34 -4.034 -8.825 -5.091 1.00 0.00 O ATOM 509 CB TYR A 34 -2.606 -7.052 -7.679 1.00 0.00 C ATOM 510 CG TYR A 34 -1.487 -6.060 -7.999 1.00 0.00 C ATOM 511 CD1 TYR A 34 -0.735 -5.514 -6.979 1.00 0.00 C ATOM 512 CD2 TYR A 34 -1.229 -5.710 -9.309 1.00 0.00 C ATOM 513 CE1 TYR A 34 0.319 -4.580 -7.280 1.00 0.00 C ATOM 514 CE2 TYR A 34 -0.176 -4.775 -9.611 1.00 0.00 C ATOM 515 CZ TYR A 34 0.546 -4.257 -8.582 1.00 0.00 C ATOM 516 OH TYR A 34 1.541 -3.374 -8.867 1.00 0.00 O ATOM 0 H TYR A 34 -0.602 -8.406 -7.688 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.024 -7.456 -5.604 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.815 -7.648 -8.568 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -3.515 -6.497 -7.447 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.937 -5.787 -5.954 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -1.817 -6.137 -10.108 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.915 -4.146 -6.491 1.00 0.00 H new ATOM 0 HE2 TYR A 34 0.035 -4.492 -10.632 1.00 0.00 H new ATOM 0 HH TYR A 34 1.881 -3.545 -9.770 1.00 0.00 H new ATOM 526 N SER A 35 -3.969 -9.568 -7.226 1.00 0.00 N ATOM 527 CA SER A 35 -5.134 -10.423 -7.081 1.00 0.00 C ATOM 528 C SER A 35 -5.085 -11.151 -5.737 1.00 0.00 C ATOM 529 O SER A 35 -6.017 -11.054 -4.940 1.00 0.00 O ATOM 530 CB SER A 35 -5.223 -11.432 -8.228 1.00 0.00 C ATOM 531 OG SER A 35 -4.570 -10.962 -9.404 1.00 0.00 O ATOM 0 H SER A 35 -3.543 -9.581 -8.153 1.00 0.00 H new ATOM 0 HA SER A 35 -6.025 -9.796 -7.115 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.774 -12.375 -7.917 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.270 -11.635 -8.452 1.00 0.00 H new ATOM 0 HG SER A 35 -4.648 -11.635 -10.112 1.00 0.00 H new ATOM 537 N LYS A 36 -3.989 -11.865 -5.526 1.00 0.00 N ATOM 538 CA LYS A 36 -3.807 -12.609 -4.291 1.00 0.00 C ATOM 539 C LYS A 36 -4.135 -11.704 -3.102 1.00 0.00 C ATOM 540 O LYS A 36 -4.784 -12.135 -2.150 1.00 0.00 O ATOM 541 CB LYS A 36 -2.403 -13.216 -4.234 1.00 0.00 C ATOM 542 CG LYS A 36 -2.178 -14.188 -5.393 1.00 0.00 C ATOM 543 CD LYS A 36 -2.982 -15.475 -5.194 1.00 0.00 C ATOM 544 CE LYS A 36 -2.947 -16.344 -6.453 1.00 0.00 C ATOM 545 NZ LYS A 36 -4.308 -16.816 -6.795 1.00 0.00 N ATOM 0 H LYS A 36 -3.218 -11.944 -6.189 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.496 -13.452 -4.249 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.658 -12.421 -4.271 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.266 -13.737 -3.286 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.469 -13.715 -6.331 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.117 -14.426 -5.472 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.577 -16.034 -4.351 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.015 -15.228 -4.947 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.534 -15.773 -7.285 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.289 -17.198 -6.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.266 -17.404 -7.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.689 -17.378 -6.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.926 -15.998 -6.967 1.00 0.00 H new ATOM 559 N PHE A 37 -3.671 -10.467 -3.195 1.00 0.00 N ATOM 560 CA PHE A 37 -3.907 -9.497 -2.139 1.00 0.00 C ATOM 561 C PHE A 37 -5.321 -8.921 -2.229 1.00 0.00 C ATOM 562 O PHE A 37 -5.861 -8.433 -1.238 1.00 0.00 O ATOM 563 CB PHE A 37 -2.895 -8.367 -2.335 1.00 0.00 C ATOM 564 CG PHE A 37 -1.489 -8.695 -1.831 1.00 0.00 C ATOM 565 CD1 PHE A 37 -0.686 -9.527 -2.548 1.00 0.00 C ATOM 566 CD2 PHE A 37 -1.041 -8.156 -0.665 1.00 0.00 C ATOM 567 CE1 PHE A 37 0.620 -9.832 -2.079 1.00 0.00 C ATOM 568 CE2 PHE A 37 0.264 -8.461 -0.197 1.00 0.00 C ATOM 569 CZ PHE A 37 1.067 -9.292 -0.914 1.00 0.00 C ATOM 0 H PHE A 37 -3.132 -10.114 -3.986 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.800 -9.974 -1.165 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.841 -8.122 -3.396 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.256 -7.477 -1.820 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.041 -9.956 -3.474 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.678 -7.496 -0.095 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.258 -10.493 -2.648 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.619 -8.033 0.729 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.060 -9.523 -0.558 1.00 0.00 H new ATOM 579 N LEU A 38 -5.882 -8.998 -3.428 1.00 0.00 N ATOM 580 CA LEU A 38 -7.223 -8.490 -3.660 1.00 0.00 C ATOM 581 C LEU A 38 -8.245 -9.505 -3.144 1.00 0.00 C ATOM 582 O LEU A 38 -9.080 -9.178 -2.303 1.00 0.00 O ATOM 583 CB LEU A 38 -7.410 -8.125 -5.134 1.00 0.00 C ATOM 584 CG LEU A 38 -6.531 -6.988 -5.660 1.00 0.00 C ATOM 585 CD1 LEU A 38 -6.703 -6.817 -7.171 1.00 0.00 C ATOM 586 CD2 LEU A 38 -6.804 -5.688 -4.901 1.00 0.00 C ATOM 0 H LEU A 38 -5.432 -9.404 -4.248 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.382 -7.566 -3.104 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.218 -9.014 -5.735 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.454 -7.853 -5.291 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.488 -7.251 -5.482 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.068 -6.003 -7.520 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.420 -7.740 -7.676 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.744 -6.586 -7.395 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.166 -4.896 -5.294 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.850 -5.407 -5.025 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.591 -5.833 -3.842 1.00 0.00 H new ATOM 598 N MET A 39 -8.144 -10.718 -3.669 1.00 0.00 N ATOM 599 CA MET A 39 -9.049 -11.783 -3.272 1.00 0.00 C ATOM 600 C MET A 39 -8.801 -12.200 -1.821 1.00 0.00 C ATOM 601 O MET A 39 -9.685 -12.757 -1.172 1.00 0.00 O ATOM 602 CB MET A 39 -8.852 -12.990 -4.191 1.00 0.00 C ATOM 603 CG MET A 39 -9.063 -12.603 -5.657 1.00 0.00 C ATOM 604 SD MET A 39 -9.119 -14.069 -6.673 1.00 0.00 S ATOM 605 CE MET A 39 -7.401 -14.551 -6.616 1.00 0.00 C ATOM 0 H MET A 39 -7.449 -10.986 -4.366 1.00 0.00 H new ATOM 0 HA MET A 39 -10.072 -11.415 -3.355 1.00 0.00 H new ATOM 0 HB2 MET A 39 -7.848 -13.393 -4.058 1.00 0.00 H new ATOM 0 HB3 MET A 39 -9.551 -13.780 -3.915 1.00 0.00 H new ATOM 0 HG2 MET A 39 -9.991 -12.041 -5.763 1.00 0.00 H new ATOM 0 HG3 MET A 39 -8.255 -11.951 -5.989 1.00 0.00 H new ATOM 0 HE1 MET A 39 -7.202 -15.282 -7.400 1.00 0.00 H new ATOM 0 HE2 MET A 39 -6.772 -13.674 -6.770 1.00 0.00 H new ATOM 0 HE3 MET A 39 -7.179 -14.991 -5.644 1.00 0.00 H new ATOM 615 N HIS A 40 -7.594 -11.915 -1.355 1.00 0.00 N ATOM 616 CA HIS A 40 -7.218 -12.254 0.007 1.00 0.00 C ATOM 617 C HIS A 40 -6.610 -11.028 0.692 1.00 0.00 C ATOM 618 O HIS A 40 -5.413 -10.999 0.972 1.00 0.00 O ATOM 619 CB HIS A 40 -6.287 -13.467 0.028 1.00 0.00 C ATOM 620 CG HIS A 40 -6.695 -14.571 -0.918 1.00 0.00 C ATOM 621 ND1 HIS A 40 -7.532 -15.608 -0.544 1.00 0.00 N ATOM 622 CD2 HIS A 40 -6.374 -14.788 -2.226 1.00 0.00 C ATOM 623 CE1 HIS A 40 -7.699 -16.407 -1.587 1.00 0.00 C ATOM 624 NE2 HIS A 40 -6.980 -15.898 -2.628 1.00 0.00 N ATOM 0 H HIS A 40 -6.864 -11.453 -1.897 1.00 0.00 H new ATOM 0 HA HIS A 40 -8.105 -12.540 0.572 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -5.278 -13.142 -0.223 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -6.250 -13.866 1.042 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -5.735 -14.162 -2.832 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -8.299 -17.304 -1.609 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -6.918 -16.304 -3.562 1.00 0.00 H new ATOM 632 N PRO A 41 -7.486 -10.019 0.948 1.00 0.00 N ATOM 633 CA PRO A 41 -7.048 -8.794 1.595 1.00 0.00 C ATOM 634 C PRO A 41 -6.814 -9.017 3.090 1.00 0.00 C ATOM 635 O PRO A 41 -6.148 -8.215 3.744 1.00 0.00 O ATOM 636 CB PRO A 41 -8.147 -7.784 1.310 1.00 0.00 C ATOM 637 CG PRO A 41 -9.369 -8.598 0.916 1.00 0.00 C ATOM 638 CD PRO A 41 -8.911 -10.019 0.630 1.00 0.00 C ATOM 0 HA PRO A 41 -6.090 -8.438 1.216 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -8.352 -7.172 2.188 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -7.855 -7.105 0.509 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -10.108 -8.589 1.717 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -9.847 -8.167 0.037 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.453 -10.741 1.241 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -9.085 -10.289 -0.412 1.00 0.00 H new ATOM 646 N GLU A 42 -7.374 -10.110 3.588 1.00 0.00 N ATOM 647 CA GLU A 42 -7.234 -10.448 4.994 1.00 0.00 C ATOM 648 C GLU A 42 -5.939 -11.228 5.226 1.00 0.00 C ATOM 649 O GLU A 42 -5.244 -11.004 6.216 1.00 0.00 O ATOM 650 CB GLU A 42 -8.447 -11.238 5.491 1.00 0.00 C ATOM 651 CG GLU A 42 -9.476 -10.311 6.140 1.00 0.00 C ATOM 652 CD GLU A 42 -9.890 -10.830 7.519 1.00 0.00 C ATOM 653 OE1 GLU A 42 -9.071 -10.678 8.451 1.00 0.00 O ATOM 654 OE2 GLU A 42 -11.015 -11.368 7.609 1.00 0.00 O ATOM 0 H GLU A 42 -7.925 -10.773 3.043 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.185 -9.522 5.567 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.906 -11.770 4.657 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.125 -11.991 6.211 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.059 -9.309 6.235 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.354 -10.231 5.499 1.00 0.00 H new ATOM 661 N GLU A 43 -5.653 -12.128 4.297 1.00 0.00 N ATOM 662 CA GLU A 43 -4.454 -12.943 4.388 1.00 0.00 C ATOM 663 C GLU A 43 -3.243 -12.165 3.871 1.00 0.00 C ATOM 664 O GLU A 43 -2.229 -12.056 4.560 1.00 0.00 O ATOM 665 CB GLU A 43 -4.626 -14.259 3.627 1.00 0.00 C ATOM 666 CG GLU A 43 -5.525 -15.226 4.399 1.00 0.00 C ATOM 667 CD GLU A 43 -6.950 -14.679 4.510 1.00 0.00 C ATOM 668 OE1 GLU A 43 -7.584 -14.527 3.444 1.00 0.00 O ATOM 669 OE2 GLU A 43 -7.373 -14.427 5.659 1.00 0.00 O ATOM 0 H GLU A 43 -6.231 -12.311 3.477 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.284 -13.188 5.436 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -5.057 -14.062 2.645 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.651 -14.717 3.461 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.541 -16.193 3.897 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.116 -15.391 5.396 1.00 0.00 H new ATOM 676 N LEU A 44 -3.387 -11.642 2.662 1.00 0.00 N ATOM 677 CA LEU A 44 -2.318 -10.877 2.045 1.00 0.00 C ATOM 678 C LEU A 44 -2.747 -9.413 1.927 1.00 0.00 C ATOM 679 O LEU A 44 -3.738 -9.103 1.267 1.00 0.00 O ATOM 680 CB LEU A 44 -1.909 -11.507 0.712 1.00 0.00 C ATOM 681 CG LEU A 44 -2.144 -13.013 0.581 1.00 0.00 C ATOM 682 CD1 LEU A 44 -1.973 -13.471 -0.868 1.00 0.00 C ATOM 683 CD2 LEU A 44 -1.241 -13.793 1.539 1.00 0.00 C ATOM 0 H LEU A 44 -4.229 -11.733 2.093 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.425 -10.899 2.669 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.453 -11.004 -0.087 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.849 -11.309 0.549 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.175 -13.224 0.865 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.146 -14.545 -0.933 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.690 -12.949 -1.502 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.961 -13.245 -1.204 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.427 -14.861 1.426 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.197 -13.581 1.309 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.455 -13.494 2.565 1.00 0.00 H new ATOM 695 N PHE A 45 -1.979 -8.550 2.577 1.00 0.00 N ATOM 696 CA PHE A 45 -2.267 -7.126 2.554 1.00 0.00 C ATOM 697 C PHE A 45 -0.986 -6.305 2.714 1.00 0.00 C ATOM 698 O PHE A 45 0.111 -6.861 2.756 1.00 0.00 O ATOM 699 CB PHE A 45 -3.195 -6.838 3.736 1.00 0.00 C ATOM 700 CG PHE A 45 -2.609 -7.224 5.095 1.00 0.00 C ATOM 701 CD1 PHE A 45 -1.727 -6.396 5.716 1.00 0.00 C ATOM 702 CD2 PHE A 45 -2.969 -8.397 5.683 1.00 0.00 C ATOM 703 CE1 PHE A 45 -1.183 -6.754 6.978 1.00 0.00 C ATOM 704 CE2 PHE A 45 -2.425 -8.756 6.944 1.00 0.00 C ATOM 705 CZ PHE A 45 -1.544 -7.927 7.565 1.00 0.00 C ATOM 0 H PHE A 45 -1.158 -8.810 3.123 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.724 -6.854 1.603 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.437 -5.775 3.745 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.131 -7.376 3.589 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.440 -5.465 5.249 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.669 -9.055 5.190 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.483 -6.096 7.471 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.711 -9.687 7.410 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.131 -8.200 8.525 1.00 0.00 H new ATOM 715 N VAL A 46 -1.167 -4.995 2.798 1.00 0.00 N ATOM 716 CA VAL A 46 -0.040 -4.092 2.953 1.00 0.00 C ATOM 717 C VAL A 46 -0.306 -3.147 4.126 1.00 0.00 C ATOM 718 O VAL A 46 -1.451 -2.774 4.379 1.00 0.00 O ATOM 719 CB VAL A 46 0.224 -3.355 1.638 1.00 0.00 C ATOM 720 CG1 VAL A 46 1.269 -2.253 1.828 1.00 0.00 C ATOM 721 CG2 VAL A 46 0.648 -4.330 0.538 1.00 0.00 C ATOM 0 H VAL A 46 -2.078 -4.538 2.762 1.00 0.00 H new ATOM 0 HA VAL A 46 0.867 -4.650 3.185 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.707 -2.883 1.325 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.438 -1.745 0.879 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.910 -1.535 2.565 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.203 -2.694 2.175 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.829 -3.780 -0.386 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.561 -4.844 0.839 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.144 -5.062 0.375 1.00 0.00 H new ATOM 731 N VAL A 47 0.769 -2.785 4.810 1.00 0.00 N ATOM 732 CA VAL A 47 0.666 -1.890 5.949 1.00 0.00 C ATOM 733 C VAL A 47 1.621 -0.711 5.755 1.00 0.00 C ATOM 734 O VAL A 47 2.668 -0.853 5.125 1.00 0.00 O ATOM 735 CB VAL A 47 0.925 -2.661 7.245 1.00 0.00 C ATOM 736 CG1 VAL A 47 -0.243 -3.595 7.571 1.00 0.00 C ATOM 737 CG2 VAL A 47 2.242 -3.437 7.168 1.00 0.00 C ATOM 0 H VAL A 47 1.717 -3.096 4.597 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.342 -1.483 6.024 1.00 0.00 H new ATOM 0 HB VAL A 47 1.010 -1.936 8.054 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.033 -4.131 8.497 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.155 -3.010 7.689 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.374 -4.311 6.759 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.402 -3.976 8.102 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.198 -4.147 6.342 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.065 -2.741 7.005 1.00 0.00 H new ATOM 747 N GLY A 48 1.225 0.427 6.306 1.00 0.00 N ATOM 748 CA GLY A 48 2.033 1.630 6.201 1.00 0.00 C ATOM 749 C GLY A 48 1.439 2.601 5.179 1.00 0.00 C ATOM 750 O GLY A 48 1.614 3.813 5.294 1.00 0.00 O ATOM 0 H GLY A 48 0.355 0.541 6.827 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.097 2.116 7.175 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.049 1.366 5.909 1.00 0.00 H new ATOM 754 N LEU A 49 0.749 2.032 4.201 1.00 0.00 N ATOM 755 CA LEU A 49 0.128 2.832 3.159 1.00 0.00 C ATOM 756 C LEU A 49 -0.480 4.090 3.782 1.00 0.00 C ATOM 757 O LEU A 49 -0.839 4.093 4.959 1.00 0.00 O ATOM 758 CB LEU A 49 -0.874 1.993 2.365 1.00 0.00 C ATOM 759 CG LEU A 49 -0.280 1.060 1.308 1.00 0.00 C ATOM 760 CD1 LEU A 49 -1.306 0.021 0.854 1.00 0.00 C ATOM 761 CD2 LEU A 49 0.289 1.856 0.132 1.00 0.00 C ATOM 0 H LEU A 49 0.606 1.026 4.108 1.00 0.00 H new ATOM 0 HA LEU A 49 0.874 3.163 2.437 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.452 1.392 3.067 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.574 2.669 1.873 1.00 0.00 H new ATOM 0 HG LEU A 49 0.549 0.516 1.760 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.858 -0.629 0.103 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.622 -0.577 1.709 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.171 0.527 0.426 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.705 1.169 -0.605 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.505 2.444 -0.328 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.073 2.523 0.490 1.00 0.00 H new ATOM 773 N PRO A 50 -0.580 5.157 2.944 1.00 0.00 N ATOM 774 CA PRO A 50 -1.139 6.418 3.400 1.00 0.00 C ATOM 775 C PRO A 50 -2.661 6.330 3.525 1.00 0.00 C ATOM 776 O PRO A 50 -3.267 5.347 3.100 1.00 0.00 O ATOM 777 CB PRO A 50 -0.685 7.443 2.374 1.00 0.00 C ATOM 778 CG PRO A 50 -0.286 6.650 1.141 1.00 0.00 C ATOM 779 CD PRO A 50 -0.165 5.189 1.545 1.00 0.00 C ATOM 0 HA PRO A 50 -0.797 6.694 4.397 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -1.485 8.146 2.144 1.00 0.00 H new ATOM 0 HB3 PRO A 50 0.154 8.028 2.751 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -1.031 6.768 0.354 1.00 0.00 H new ATOM 0 HG3 PRO A 50 0.660 7.015 0.742 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.801 4.554 0.929 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.857 4.828 1.426 1.00 0.00 H new ATOM 787 N GLU A 51 -3.236 7.370 4.111 1.00 0.00 N ATOM 788 CA GLU A 51 -4.676 7.423 4.297 1.00 0.00 C ATOM 789 C GLU A 51 -5.380 7.594 2.949 1.00 0.00 C ATOM 790 O GLU A 51 -4.908 8.335 2.088 1.00 0.00 O ATOM 791 CB GLU A 51 -5.063 8.544 5.264 1.00 0.00 C ATOM 792 CG GLU A 51 -4.478 9.883 4.812 1.00 0.00 C ATOM 793 CD GLU A 51 -3.422 10.382 5.802 1.00 0.00 C ATOM 794 OE1 GLU A 51 -3.716 10.336 7.016 1.00 0.00 O ATOM 795 OE2 GLU A 51 -2.346 10.797 5.321 1.00 0.00 O ATOM 0 H GLU A 51 -2.730 8.183 4.463 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.001 6.480 4.737 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.149 8.619 5.324 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.704 8.306 6.265 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.032 9.774 3.823 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.275 10.621 4.723 1.00 0.00 H new ATOM 802 N GLY A 52 -6.497 6.896 2.808 1.00 0.00 N ATOM 803 CA GLY A 52 -7.270 6.961 1.580 1.00 0.00 C ATOM 804 C GLY A 52 -6.529 6.279 0.428 1.00 0.00 C ATOM 805 O GLY A 52 -6.689 6.660 -0.730 1.00 0.00 O ATOM 0 H GLY A 52 -6.885 6.282 3.524 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.237 6.481 1.729 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.467 8.002 1.325 1.00 0.00 H new ATOM 809 N ILE A 53 -5.734 5.281 0.787 1.00 0.00 N ATOM 810 CA ILE A 53 -4.968 4.542 -0.202 1.00 0.00 C ATOM 811 C ILE A 53 -4.807 3.093 0.263 1.00 0.00 C ATOM 812 O ILE A 53 -4.672 2.832 1.457 1.00 0.00 O ATOM 813 CB ILE A 53 -3.641 5.247 -0.488 1.00 0.00 C ATOM 814 CG1 ILE A 53 -3.865 6.722 -0.827 1.00 0.00 C ATOM 815 CG2 ILE A 53 -2.858 4.520 -1.583 1.00 0.00 C ATOM 816 CD1 ILE A 53 -2.583 7.364 -1.359 1.00 0.00 C ATOM 0 H ILE A 53 -5.604 4.967 1.749 1.00 0.00 H new ATOM 0 HA ILE A 53 -5.499 4.515 -1.153 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.035 5.213 0.417 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.656 6.811 -1.571 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.201 7.256 0.062 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.919 5.042 -1.767 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.649 3.499 -1.264 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.447 4.500 -2.500 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.771 8.412 -1.592 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.801 7.295 -0.603 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.263 6.843 -2.262 1.00 0.00 H new ATOM 828 N SER A 54 -4.826 2.189 -0.705 1.00 0.00 N ATOM 829 CA SER A 54 -4.684 0.774 -0.410 1.00 0.00 C ATOM 830 C SER A 54 -3.734 0.122 -1.417 1.00 0.00 C ATOM 831 O SER A 54 -2.884 0.795 -2.000 1.00 0.00 O ATOM 832 CB SER A 54 -6.041 0.068 -0.428 1.00 0.00 C ATOM 833 OG SER A 54 -6.123 -0.957 0.559 1.00 0.00 O ATOM 0 H SER A 54 -4.938 2.409 -1.695 1.00 0.00 H new ATOM 0 HA SER A 54 -4.266 0.675 0.592 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.832 0.799 -0.258 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.212 -0.364 -1.414 1.00 0.00 H new ATOM 0 HG SER A 54 -7.005 -1.382 0.516 1.00 0.00 H new ATOM 839 N LEU A 55 -3.909 -1.180 -1.592 1.00 0.00 N ATOM 840 CA LEU A 55 -3.078 -1.929 -2.518 1.00 0.00 C ATOM 841 C LEU A 55 -3.832 -2.116 -3.837 1.00 0.00 C ATOM 842 O LEU A 55 -4.902 -2.723 -3.864 1.00 0.00 O ATOM 843 CB LEU A 55 -2.617 -3.242 -1.883 1.00 0.00 C ATOM 844 CG LEU A 55 -1.542 -4.017 -2.648 1.00 0.00 C ATOM 845 CD1 LEU A 55 -0.253 -3.201 -2.758 1.00 0.00 C ATOM 846 CD2 LEU A 55 -1.300 -5.389 -2.015 1.00 0.00 C ATOM 0 H LEU A 55 -4.615 -1.735 -1.108 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.168 -1.375 -2.746 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.239 -3.026 -0.884 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.486 -3.889 -1.762 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.902 -4.190 -3.662 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.495 -3.774 -3.306 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.456 -2.270 -3.287 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.122 -2.977 -1.759 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.532 -5.919 -2.578 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.971 -5.261 -0.984 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.225 -5.966 -2.032 1.00 0.00 H new ATOM 858 N ARG A 56 -3.245 -1.582 -4.898 1.00 0.00 N ATOM 859 CA ARG A 56 -3.848 -1.682 -6.216 1.00 0.00 C ATOM 860 C ARG A 56 -2.869 -1.195 -7.286 1.00 0.00 C ATOM 861 O ARG A 56 -1.873 -0.544 -6.971 1.00 0.00 O ATOM 862 CB ARG A 56 -5.134 -0.858 -6.298 1.00 0.00 C ATOM 863 CG ARG A 56 -6.323 -1.640 -5.736 1.00 0.00 C ATOM 864 CD ARG A 56 -7.579 -1.406 -6.578 1.00 0.00 C ATOM 865 NE ARG A 56 -8.550 -2.500 -6.353 1.00 0.00 N ATOM 866 CZ ARG A 56 -9.702 -2.632 -7.025 1.00 0.00 C ATOM 867 NH1 ARG A 56 -10.034 -1.739 -7.968 1.00 0.00 N ATOM 868 NH2 ARG A 56 -10.521 -3.657 -6.755 1.00 0.00 N ATOM 0 H ARG A 56 -2.358 -1.079 -4.872 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.091 -2.730 -6.391 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.010 0.072 -5.743 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.330 -0.586 -7.335 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.087 -2.704 -5.716 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.509 -1.336 -4.706 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.030 -0.449 -6.316 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.315 -1.355 -7.634 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.329 -3.197 -5.642 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.410 -0.959 -8.174 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.911 -1.839 -8.479 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.268 -4.337 -6.038 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.398 -3.758 -7.266 1.00 0.00 H new ATOM 882 N ARG A 57 -3.185 -1.528 -8.528 1.00 0.00 N ATOM 883 CA ARG A 57 -2.346 -1.133 -9.646 1.00 0.00 C ATOM 884 C ARG A 57 -1.981 0.349 -9.538 1.00 0.00 C ATOM 885 O ARG A 57 -2.838 1.184 -9.253 1.00 0.00 O ATOM 886 CB ARG A 57 -3.052 -1.380 -10.981 1.00 0.00 C ATOM 887 CG ARG A 57 -2.470 -2.604 -11.690 1.00 0.00 C ATOM 888 CD ARG A 57 -3.577 -3.441 -12.336 1.00 0.00 C ATOM 889 NE ARG A 57 -4.611 -3.774 -11.331 1.00 0.00 N ATOM 890 CZ ARG A 57 -5.840 -4.214 -11.636 1.00 0.00 C ATOM 891 NH1 ARG A 57 -6.195 -4.376 -12.918 1.00 0.00 N ATOM 892 NH2 ARG A 57 -6.714 -4.491 -10.658 1.00 0.00 N ATOM 0 H ARG A 57 -4.011 -2.068 -8.785 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.440 -1.739 -9.610 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -4.119 -1.527 -10.811 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -2.949 -0.502 -11.619 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -1.760 -2.284 -12.452 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.918 -3.214 -10.975 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -4.026 -2.890 -13.163 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -3.156 -4.356 -12.754 1.00 0.00 H new ATOM 0 HE ARG A 57 -4.374 -3.662 -10.345 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -5.530 -4.165 -13.662 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -7.130 -4.711 -13.150 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -6.444 -4.367 -9.682 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -7.649 -4.826 -10.890 1.00 0.00 H new ATOM 906 N PRO A 58 -0.674 0.638 -9.777 1.00 0.00 N ATOM 907 CA PRO A 58 -0.185 2.005 -9.709 1.00 0.00 C ATOM 908 C PRO A 58 -0.623 2.806 -10.937 1.00 0.00 C ATOM 909 O PRO A 58 0.206 3.408 -11.617 1.00 0.00 O ATOM 910 CB PRO A 58 1.325 1.877 -9.590 1.00 0.00 C ATOM 911 CG PRO A 58 1.663 0.473 -10.062 1.00 0.00 C ATOM 912 CD PRO A 58 0.370 -0.324 -10.117 1.00 0.00 C ATOM 0 HA PRO A 58 -0.592 2.556 -8.861 1.00 0.00 H new ATOM 0 HB2 PRO A 58 1.830 2.626 -10.200 1.00 0.00 H new ATOM 0 HB3 PRO A 58 1.650 2.032 -8.561 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.135 0.504 -11.044 1.00 0.00 H new ATOM 0 HG3 PRO A 58 2.373 0.002 -9.382 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.209 -0.749 -11.108 1.00 0.00 H new ATOM 0 HD3 PRO A 58 0.387 -1.155 -9.412 1.00 0.00 H new ATOM 920 N ASN A 59 -1.924 2.786 -11.183 1.00 0.00 N ATOM 921 CA ASN A 59 -2.482 3.503 -12.317 1.00 0.00 C ATOM 922 C ASN A 59 -3.850 4.071 -11.934 1.00 0.00 C ATOM 923 O ASN A 59 -4.138 5.238 -12.196 1.00 0.00 O ATOM 924 CB ASN A 59 -2.676 2.572 -13.516 1.00 0.00 C ATOM 925 CG ASN A 59 -3.455 3.270 -14.632 1.00 0.00 C ATOM 926 OD1 ASN A 59 -3.624 4.479 -14.645 1.00 0.00 O ATOM 927 ND2 ASN A 59 -3.920 2.445 -15.565 1.00 0.00 N ATOM 0 H ASN A 59 -2.608 2.285 -10.617 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.788 4.299 -12.586 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.705 2.250 -13.892 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.209 1.675 -13.202 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -4.454 2.814 -16.352 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -3.743 1.443 -15.494 1.00 0.00 H new ATOM 934 N CYS A 60 -4.657 3.219 -11.318 1.00 0.00 N ATOM 935 CA CYS A 60 -5.988 3.622 -10.896 1.00 0.00 C ATOM 936 C CYS A 60 -5.849 4.791 -9.919 1.00 0.00 C ATOM 937 O CYS A 60 -6.802 5.537 -9.698 1.00 0.00 O ATOM 938 CB CYS A 60 -6.764 2.455 -10.282 1.00 0.00 C ATOM 939 SG CYS A 60 -8.527 2.905 -10.093 1.00 0.00 S ATOM 0 H CYS A 60 -4.415 2.252 -11.101 1.00 0.00 H new ATOM 0 HA CYS A 60 -6.566 3.941 -11.763 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -6.671 1.573 -10.915 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -6.340 2.196 -9.312 1.00 0.00 H new ATOM 0 HG CYS A 60 -8.625 4.173 -9.824 1.00 0.00 H new ATOM 945 N PHE A 61 -4.654 4.914 -9.360 1.00 0.00 N ATOM 946 CA PHE A 61 -4.378 5.980 -8.411 1.00 0.00 C ATOM 947 C PHE A 61 -3.988 7.270 -9.135 1.00 0.00 C ATOM 948 O PHE A 61 -3.758 7.263 -10.344 1.00 0.00 O ATOM 949 CB PHE A 61 -3.202 5.518 -7.549 1.00 0.00 C ATOM 950 CG PHE A 61 -3.542 4.367 -6.599 1.00 0.00 C ATOM 951 CD1 PHE A 61 -4.155 4.623 -5.412 1.00 0.00 C ATOM 952 CD2 PHE A 61 -3.230 3.088 -6.941 1.00 0.00 C ATOM 953 CE1 PHE A 61 -4.470 3.555 -4.531 1.00 0.00 C ATOM 954 CE2 PHE A 61 -3.545 2.020 -6.060 1.00 0.00 C ATOM 955 CZ PHE A 61 -4.158 2.277 -4.873 1.00 0.00 C ATOM 0 H PHE A 61 -3.866 4.294 -9.546 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.266 6.185 -7.812 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.386 5.208 -8.202 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -2.839 6.363 -6.964 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.402 5.638 -5.140 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.742 2.885 -7.883 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.958 3.758 -3.589 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -3.298 1.004 -6.332 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.397 1.465 -4.202 1.00 0.00 H new ATOM 965 N GLY A 62 -3.925 8.347 -8.366 1.00 0.00 N ATOM 966 CA GLY A 62 -3.567 9.642 -8.918 1.00 0.00 C ATOM 967 C GLY A 62 -2.159 10.054 -8.483 1.00 0.00 C ATOM 968 O GLY A 62 -1.662 9.591 -7.457 1.00 0.00 O ATOM 0 H GLY A 62 -4.116 8.349 -7.364 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.619 9.604 -10.006 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.287 10.392 -8.591 1.00 0.00 H new ATOM 972 N ILE A 63 -1.555 10.919 -9.284 1.00 0.00 N ATOM 973 CA ILE A 63 -0.214 11.398 -8.995 1.00 0.00 C ATOM 974 C ILE A 63 -0.081 11.649 -7.491 1.00 0.00 C ATOM 975 O ILE A 63 0.813 11.105 -6.844 1.00 0.00 O ATOM 976 CB ILE A 63 0.116 12.620 -9.854 1.00 0.00 C ATOM 977 CG1 ILE A 63 0.602 12.199 -11.242 1.00 0.00 C ATOM 978 CG2 ILE A 63 1.120 13.532 -9.147 1.00 0.00 C ATOM 979 CD1 ILE A 63 -0.441 12.530 -12.312 1.00 0.00 C ATOM 0 H ILE A 63 -1.970 11.301 -10.134 1.00 0.00 H new ATOM 0 HA ILE A 63 0.526 10.643 -9.260 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.799 13.196 -9.994 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.539 12.707 -11.473 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.809 11.129 -11.250 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.337 14.393 -9.779 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.699 13.873 -8.201 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.041 12.981 -8.956 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.071 12.221 -13.289 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.369 12.002 -12.092 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.628 13.604 -12.318 1.00 0.00 H new ATOM 991 N ALA A 64 -0.983 12.473 -6.979 1.00 0.00 N ATOM 992 CA ALA A 64 -0.978 12.802 -5.564 1.00 0.00 C ATOM 993 C ALA A 64 -0.844 11.517 -4.746 1.00 0.00 C ATOM 994 O ALA A 64 -0.009 11.433 -3.846 1.00 0.00 O ATOM 995 CB ALA A 64 -2.246 13.585 -5.217 1.00 0.00 C ATOM 0 H ALA A 64 -1.722 12.923 -7.519 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.126 13.437 -5.321 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.242 13.832 -4.155 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.278 14.504 -5.803 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.122 12.978 -5.445 1.00 0.00 H new ATOM 1001 N LYS A 65 -1.680 10.547 -5.087 1.00 0.00 N ATOM 1002 CA LYS A 65 -1.666 9.269 -4.395 1.00 0.00 C ATOM 1003 C LYS A 65 -0.306 8.598 -4.598 1.00 0.00 C ATOM 1004 O LYS A 65 0.411 8.335 -3.634 1.00 0.00 O ATOM 1005 CB LYS A 65 -2.849 8.406 -4.838 1.00 0.00 C ATOM 1006 CG LYS A 65 -4.179 9.086 -4.504 1.00 0.00 C ATOM 1007 CD LYS A 65 -5.206 8.067 -4.008 1.00 0.00 C ATOM 1008 CE LYS A 65 -6.185 8.709 -3.023 1.00 0.00 C ATOM 1009 NZ LYS A 65 -5.454 9.327 -1.895 1.00 0.00 N ATOM 0 H LYS A 65 -2.371 10.620 -5.833 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.793 9.416 -3.322 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.789 8.224 -5.911 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -2.799 7.435 -4.346 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.020 9.848 -3.741 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.564 9.595 -5.388 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.755 7.656 -4.856 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.694 7.234 -3.526 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.782 9.464 -3.534 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.878 7.956 -2.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.837 8.970 -0.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.445 9.085 -1.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.566 10.360 -1.933 1.00 0.00 H new ATOM 1023 N LEU A 66 0.008 8.341 -5.860 1.00 0.00 N ATOM 1024 CA LEU A 66 1.270 7.707 -6.202 1.00 0.00 C ATOM 1025 C LEU A 66 2.382 8.285 -5.325 1.00 0.00 C ATOM 1026 O LEU A 66 3.134 7.540 -4.698 1.00 0.00 O ATOM 1027 CB LEU A 66 1.543 7.832 -7.702 1.00 0.00 C ATOM 1028 CG LEU A 66 0.568 7.098 -8.625 1.00 0.00 C ATOM 1029 CD1 LEU A 66 0.772 7.516 -10.083 1.00 0.00 C ATOM 1030 CD2 LEU A 66 0.675 5.583 -8.443 1.00 0.00 C ATOM 0 H LEU A 66 -0.589 8.560 -6.657 1.00 0.00 H new ATOM 0 HA LEU A 66 1.226 6.637 -5.997 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.535 8.890 -7.966 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.549 7.461 -7.900 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.446 7.385 -8.347 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.066 6.979 -10.717 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.605 8.589 -10.181 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.790 7.278 -10.391 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.029 5.086 -9.111 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.689 5.259 -8.678 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.441 5.323 -7.411 1.00 0.00 H new ATOM 1042 N ARG A 67 2.451 9.608 -5.308 1.00 0.00 N ATOM 1043 CA ARG A 67 3.458 10.295 -4.517 1.00 0.00 C ATOM 1044 C ARG A 67 3.378 9.853 -3.055 1.00 0.00 C ATOM 1045 O ARG A 67 4.347 9.330 -2.506 1.00 0.00 O ATOM 1046 CB ARG A 67 3.279 11.812 -4.595 1.00 0.00 C ATOM 1047 CG ARG A 67 3.771 12.355 -5.938 1.00 0.00 C ATOM 1048 CD ARG A 67 3.777 13.885 -5.943 1.00 0.00 C ATOM 1049 NE ARG A 67 5.037 14.384 -6.537 1.00 0.00 N ATOM 1050 CZ ARG A 67 6.247 14.209 -5.990 1.00 0.00 C ATOM 1051 NH1 ARG A 67 6.369 13.546 -4.832 1.00 0.00 N ATOM 1052 NH2 ARG A 67 7.335 14.697 -6.600 1.00 0.00 N ATOM 0 H ARG A 67 1.826 10.223 -5.829 1.00 0.00 H new ATOM 0 HA ARG A 67 4.434 10.034 -4.925 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.227 12.065 -4.460 1.00 0.00 H new ATOM 0 HB3 ARG A 67 3.828 12.289 -3.783 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.776 11.983 -6.138 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.130 11.988 -6.739 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.925 14.258 -6.511 1.00 0.00 H new ATOM 0 HD3 ARG A 67 3.671 14.261 -4.925 1.00 0.00 H new ATOM 0 HE ARG A 67 4.981 14.893 -7.419 1.00 0.00 H new ATOM 0 HH11 ARG A 67 5.540 13.175 -4.367 1.00 0.00 H new ATOM 0 HH12 ARG A 67 7.290 13.413 -4.415 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.242 15.202 -7.481 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.256 14.564 -6.183 1.00 0.00 H new ATOM 1066 N LYS A 68 2.213 10.079 -2.465 1.00 0.00 N ATOM 1067 CA LYS A 68 1.994 9.710 -1.076 1.00 0.00 C ATOM 1068 C LYS A 68 2.634 8.347 -0.808 1.00 0.00 C ATOM 1069 O LYS A 68 3.559 8.239 -0.004 1.00 0.00 O ATOM 1070 CB LYS A 68 0.503 9.767 -0.736 1.00 0.00 C ATOM 1071 CG LYS A 68 0.174 11.020 0.078 1.00 0.00 C ATOM 1072 CD LYS A 68 -0.751 11.955 -0.705 1.00 0.00 C ATOM 1073 CE LYS A 68 -2.207 11.773 -0.274 1.00 0.00 C ATOM 1074 NZ LYS A 68 -3.112 12.516 -1.179 1.00 0.00 N ATOM 0 H LYS A 68 1.411 10.513 -2.923 1.00 0.00 H new ATOM 0 HA LYS A 68 2.477 10.426 -0.411 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.084 9.761 -1.655 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.221 8.878 -0.172 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.301 10.734 1.016 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.095 11.544 0.334 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.448 12.990 -0.546 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.656 11.756 -1.772 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.465 10.714 -0.281 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.336 12.126 0.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.097 12.382 -0.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.876 13.528 -1.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.000 12.161 -2.150 1.00 0.00 H new ATOM 1088 N ILE A 69 2.116 7.340 -1.495 1.00 0.00 N ATOM 1089 CA ILE A 69 2.626 5.988 -1.341 1.00 0.00 C ATOM 1090 C ILE A 69 4.156 6.021 -1.347 1.00 0.00 C ATOM 1091 O ILE A 69 4.794 5.534 -0.415 1.00 0.00 O ATOM 1092 CB ILE A 69 2.026 5.065 -2.403 1.00 0.00 C ATOM 1093 CG1 ILE A 69 0.513 4.930 -2.222 1.00 0.00 C ATOM 1094 CG2 ILE A 69 2.727 3.704 -2.406 1.00 0.00 C ATOM 1095 CD1 ILE A 69 -0.155 4.463 -3.517 1.00 0.00 C ATOM 0 H ILE A 69 1.348 7.433 -2.160 1.00 0.00 H new ATOM 0 HA ILE A 69 2.320 5.572 -0.381 1.00 0.00 H new ATOM 0 HB ILE A 69 2.194 5.516 -3.381 1.00 0.00 H new ATOM 0 HG12 ILE A 69 0.301 4.220 -1.423 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.093 5.888 -1.917 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.281 3.067 -3.170 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.787 3.841 -2.621 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.613 3.234 -1.429 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.230 4.375 -3.361 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.039 5.187 -4.308 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.250 3.493 -3.806 1.00 0.00 H new ATOM 1107 N LEU A 70 4.699 6.598 -2.408 1.00 0.00 N ATOM 1108 CA LEU A 70 6.142 6.701 -2.548 1.00 0.00 C ATOM 1109 C LEU A 70 6.721 7.396 -1.314 1.00 0.00 C ATOM 1110 O LEU A 70 7.816 7.061 -0.865 1.00 0.00 O ATOM 1111 CB LEU A 70 6.505 7.385 -3.867 1.00 0.00 C ATOM 1112 CG LEU A 70 6.283 6.558 -5.135 1.00 0.00 C ATOM 1113 CD1 LEU A 70 6.431 7.424 -6.388 1.00 0.00 C ATOM 1114 CD2 LEU A 70 7.211 5.342 -5.166 1.00 0.00 C ATOM 0 H LEU A 70 4.166 6.999 -3.179 1.00 0.00 H new ATOM 0 HA LEU A 70 6.592 5.709 -2.596 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.923 8.303 -3.949 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.555 7.676 -3.826 1.00 0.00 H new ATOM 0 HG LEU A 70 5.260 6.182 -5.123 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.268 6.812 -7.275 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.696 8.229 -6.363 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.434 7.849 -6.420 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.033 4.771 -6.077 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.249 5.675 -5.144 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.014 4.712 -4.299 1.00 0.00 H new ATOM 1126 N GLU A 71 5.960 8.352 -0.802 1.00 0.00 N ATOM 1127 CA GLU A 71 6.385 9.098 0.371 1.00 0.00 C ATOM 1128 C GLU A 71 6.295 8.219 1.620 1.00 0.00 C ATOM 1129 O GLU A 71 7.019 8.437 2.591 1.00 0.00 O ATOM 1130 CB GLU A 71 5.558 10.374 0.538 1.00 0.00 C ATOM 1131 CG GLU A 71 5.625 11.240 -0.722 1.00 0.00 C ATOM 1132 CD GLU A 71 5.830 12.713 -0.364 1.00 0.00 C ATOM 1133 OE1 GLU A 71 6.524 12.961 0.646 1.00 0.00 O ATOM 1134 OE2 GLU A 71 5.289 13.559 -1.109 1.00 0.00 O ATOM 0 H GLU A 71 5.052 8.627 -1.177 1.00 0.00 H new ATOM 0 HA GLU A 71 7.425 9.394 0.233 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.521 10.114 0.750 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.926 10.941 1.393 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.442 10.900 -1.359 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.705 11.126 -1.295 1.00 0.00 H new ATOM 1141 N ALA A 72 5.400 7.244 1.556 1.00 0.00 N ATOM 1142 CA ALA A 72 5.206 6.331 2.669 1.00 0.00 C ATOM 1143 C ALA A 72 5.780 4.960 2.305 1.00 0.00 C ATOM 1144 O ALA A 72 5.311 3.936 2.800 1.00 0.00 O ATOM 1145 CB ALA A 72 3.719 6.266 3.023 1.00 0.00 C ATOM 0 H ALA A 72 4.801 7.067 0.750 1.00 0.00 H new ATOM 0 HA ALA A 72 5.736 6.686 3.553 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.573 5.581 3.858 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.368 7.259 3.303 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.155 5.912 2.160 1.00 0.00 H new ATOM 1151 N SER A 73 6.785 4.985 1.443 1.00 0.00 N ATOM 1152 CA SER A 73 7.428 3.757 1.007 1.00 0.00 C ATOM 1153 C SER A 73 8.048 3.037 2.206 1.00 0.00 C ATOM 1154 O SER A 73 7.623 1.939 2.564 1.00 0.00 O ATOM 1155 CB SER A 73 8.494 4.039 -0.053 1.00 0.00 C ATOM 1156 OG SER A 73 9.762 3.498 0.308 1.00 0.00 O ATOM 0 H SER A 73 7.170 5.836 1.034 1.00 0.00 H new ATOM 0 HA SER A 73 6.670 3.115 0.558 1.00 0.00 H new ATOM 0 HB2 SER A 73 8.178 3.616 -1.007 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.587 5.116 -0.197 1.00 0.00 H new ATOM 0 HG SER A 73 10.415 3.698 -0.395 1.00 0.00 H new ATOM 1162 N ASN A 74 9.044 3.684 2.794 1.00 0.00 N ATOM 1163 CA ASN A 74 9.727 3.119 3.945 1.00 0.00 C ATOM 1164 C ASN A 74 8.691 2.600 4.944 1.00 0.00 C ATOM 1165 O ASN A 74 8.916 1.590 5.608 1.00 0.00 O ATOM 1166 CB ASN A 74 10.579 4.174 4.652 1.00 0.00 C ATOM 1167 CG ASN A 74 11.966 4.278 4.015 1.00 0.00 C ATOM 1168 OD1 ASN A 74 12.592 3.291 3.664 1.00 0.00 O ATOM 1169 ND2 ASN A 74 12.410 5.525 3.884 1.00 0.00 N ATOM 0 H ASN A 74 9.394 4.594 2.495 1.00 0.00 H new ATOM 0 HA ASN A 74 10.370 2.313 3.593 1.00 0.00 H new ATOM 0 HB2 ASN A 74 10.080 5.142 4.604 1.00 0.00 H new ATOM 0 HB3 ASN A 74 10.678 3.919 5.707 1.00 0.00 H new ATOM 0 HD21 ASN A 74 13.325 5.700 3.469 1.00 0.00 H new ATOM 0 HD22 ASN A 74 11.835 6.307 4.199 1.00 0.00 H new ATOM 1176 N SER A 75 7.578 3.315 5.018 1.00 0.00 N ATOM 1177 CA SER A 75 6.507 2.940 5.925 1.00 0.00 C ATOM 1178 C SER A 75 5.773 1.710 5.387 1.00 0.00 C ATOM 1179 O SER A 75 5.547 0.748 6.119 1.00 0.00 O ATOM 1180 CB SER A 75 5.526 4.097 6.128 1.00 0.00 C ATOM 1181 OG SER A 75 6.148 5.221 6.744 1.00 0.00 O ATOM 0 H SER A 75 7.395 4.152 4.465 1.00 0.00 H new ATOM 0 HA SER A 75 6.947 2.699 6.893 1.00 0.00 H new ATOM 0 HB2 SER A 75 5.112 4.394 5.165 1.00 0.00 H new ATOM 0 HB3 SER A 75 4.692 3.761 6.744 1.00 0.00 H new ATOM 0 HG SER A 75 5.490 5.939 6.855 1.00 0.00 H new ATOM 1187 N ILE A 76 5.420 1.782 4.112 1.00 0.00 N ATOM 1188 CA ILE A 76 4.716 0.687 3.467 1.00 0.00 C ATOM 1189 C ILE A 76 5.404 -0.634 3.819 1.00 0.00 C ATOM 1190 O ILE A 76 6.590 -0.652 4.145 1.00 0.00 O ATOM 1191 CB ILE A 76 4.598 0.937 1.962 1.00 0.00 C ATOM 1192 CG1 ILE A 76 3.421 1.865 1.651 1.00 0.00 C ATOM 1193 CG2 ILE A 76 4.508 -0.382 1.192 1.00 0.00 C ATOM 1194 CD1 ILE A 76 3.346 2.172 0.154 1.00 0.00 C ATOM 0 H ILE A 76 5.609 2.582 3.508 1.00 0.00 H new ATOM 0 HA ILE A 76 3.693 0.623 3.837 1.00 0.00 H new ATOM 0 HB ILE A 76 5.504 1.443 1.628 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.491 1.400 1.978 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.527 2.794 2.212 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.425 -0.175 0.125 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.404 -0.974 1.378 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.631 -0.938 1.523 1.00 0.00 H new ATOM 0 HD11 ILE A 76 2.501 2.833 -0.040 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.268 2.658 -0.164 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.215 1.243 -0.402 1.00 0.00 H new ATOM 1206 N GLN A 77 4.631 -1.707 3.740 1.00 0.00 N ATOM 1207 CA GLN A 77 5.151 -3.028 4.046 1.00 0.00 C ATOM 1208 C GLN A 77 4.136 -4.103 3.653 1.00 0.00 C ATOM 1209 O GLN A 77 2.972 -4.036 4.045 1.00 0.00 O ATOM 1210 CB GLN A 77 5.524 -3.142 5.526 1.00 0.00 C ATOM 1211 CG GLN A 77 6.529 -4.273 5.753 1.00 0.00 C ATOM 1212 CD GLN A 77 7.212 -4.134 7.115 1.00 0.00 C ATOM 1213 OE1 GLN A 77 7.432 -3.046 7.620 1.00 0.00 O ATOM 1214 NE2 GLN A 77 7.535 -5.295 7.679 1.00 0.00 N ATOM 0 H GLN A 77 3.648 -1.688 3.468 1.00 0.00 H new ATOM 0 HA GLN A 77 6.059 -3.183 3.463 1.00 0.00 H new ATOM 0 HB2 GLN A 77 5.948 -2.199 5.871 1.00 0.00 H new ATOM 0 HB3 GLN A 77 4.627 -3.324 6.118 1.00 0.00 H new ATOM 0 HG2 GLN A 77 6.019 -5.235 5.694 1.00 0.00 H new ATOM 0 HG3 GLN A 77 7.280 -4.261 4.963 1.00 0.00 H new ATOM 0 HE21 GLN A 77 7.322 -6.171 7.201 1.00 0.00 H new ATOM 0 HE22 GLN A 77 7.996 -5.309 8.589 1.00 0.00 H new ATOM 1223 N PHE A 78 4.614 -5.069 2.883 1.00 0.00 N ATOM 1224 CA PHE A 78 3.762 -6.157 2.432 1.00 0.00 C ATOM 1225 C PHE A 78 3.768 -7.311 3.436 1.00 0.00 C ATOM 1226 O PHE A 78 4.686 -8.130 3.440 1.00 0.00 O ATOM 1227 CB PHE A 78 4.334 -6.651 1.101 1.00 0.00 C ATOM 1228 CG PHE A 78 3.882 -5.836 -0.112 1.00 0.00 C ATOM 1229 CD1 PHE A 78 4.142 -4.502 -0.170 1.00 0.00 C ATOM 1230 CD2 PHE A 78 3.219 -6.445 -1.131 1.00 0.00 C ATOM 1231 CE1 PHE A 78 3.722 -3.746 -1.296 1.00 0.00 C ATOM 1232 CE2 PHE A 78 2.799 -5.688 -2.257 1.00 0.00 C ATOM 1233 CZ PHE A 78 3.059 -4.355 -2.316 1.00 0.00 C ATOM 0 H PHE A 78 5.580 -5.121 2.560 1.00 0.00 H new ATOM 0 HA PHE A 78 2.735 -5.807 2.329 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.422 -6.630 1.155 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.042 -7.691 0.956 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.668 -4.018 0.640 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.012 -7.504 -1.084 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.929 -2.687 -1.343 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.273 -6.172 -3.067 1.00 0.00 H new ATOM 0 HZ PHE A 78 2.739 -3.780 -3.172 1.00 0.00 H new ATOM 1243 N VAL A 79 2.734 -7.339 4.263 1.00 0.00 N ATOM 1244 CA VAL A 79 2.608 -8.379 5.270 1.00 0.00 C ATOM 1245 C VAL A 79 1.960 -9.614 4.643 1.00 0.00 C ATOM 1246 O VAL A 79 0.936 -9.508 3.969 1.00 0.00 O ATOM 1247 CB VAL A 79 1.836 -7.847 6.479 1.00 0.00 C ATOM 1248 CG1 VAL A 79 1.534 -8.969 7.474 1.00 0.00 C ATOM 1249 CG2 VAL A 79 2.596 -6.704 7.155 1.00 0.00 C ATOM 0 H VAL A 79 1.975 -6.658 4.257 1.00 0.00 H new ATOM 0 HA VAL A 79 3.591 -8.678 5.635 1.00 0.00 H new ATOM 0 HB VAL A 79 0.885 -7.452 6.122 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.985 -8.564 8.324 1.00 0.00 H new ATOM 0 HG12 VAL A 79 0.933 -9.736 6.986 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.469 -9.408 7.822 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.026 -6.344 8.011 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.569 -7.063 7.492 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.736 -5.890 6.444 1.00 0.00 H new ATOM 1259 N ILE A 80 2.582 -10.759 4.887 1.00 0.00 N ATOM 1260 CA ILE A 80 2.077 -12.013 4.355 1.00 0.00 C ATOM 1261 C ILE A 80 1.535 -12.868 5.502 1.00 0.00 C ATOM 1262 O ILE A 80 2.207 -13.051 6.516 1.00 0.00 O ATOM 1263 CB ILE A 80 3.154 -12.713 3.522 1.00 0.00 C ATOM 1264 CG1 ILE A 80 3.923 -11.707 2.664 1.00 0.00 C ATOM 1265 CG2 ILE A 80 2.550 -13.840 2.682 1.00 0.00 C ATOM 1266 CD1 ILE A 80 3.028 -11.122 1.569 1.00 0.00 C ATOM 0 H ILE A 80 3.431 -10.844 5.446 1.00 0.00 H new ATOM 0 HA ILE A 80 1.246 -11.831 3.673 1.00 0.00 H new ATOM 0 HB ILE A 80 3.872 -13.169 4.204 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.305 -10.904 3.294 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.786 -12.195 2.211 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.336 -14.321 2.100 1.00 0.00 H new ATOM 0 HG22 ILE A 80 2.084 -14.574 3.339 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.799 -13.429 2.008 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.600 -10.410 0.974 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.667 -11.925 0.926 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.179 -10.614 2.026 1.00 0.00 H new ATOM 1278 N LYS A 81 0.324 -13.367 5.304 1.00 0.00 N ATOM 1279 CA LYS A 81 -0.317 -14.198 6.309 1.00 0.00 C ATOM 1280 C LYS A 81 -0.457 -15.624 5.772 1.00 0.00 C ATOM 1281 O LYS A 81 -0.257 -16.590 6.507 1.00 0.00 O ATOM 1282 CB LYS A 81 -1.642 -13.575 6.754 1.00 0.00 C ATOM 1283 CG LYS A 81 -1.475 -12.083 7.047 1.00 0.00 C ATOM 1284 CD LYS A 81 -1.109 -11.850 8.514 1.00 0.00 C ATOM 1285 CE LYS A 81 -2.327 -11.388 9.316 1.00 0.00 C ATOM 1286 NZ LYS A 81 -3.566 -11.980 8.764 1.00 0.00 N ATOM 0 H LYS A 81 -0.231 -13.212 4.462 1.00 0.00 H new ATOM 0 HA LYS A 81 0.299 -14.254 7.206 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -2.393 -13.715 5.976 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -2.007 -14.086 7.645 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -0.699 -11.667 6.404 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -2.400 -11.557 6.811 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -0.713 -12.770 8.944 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -0.320 -11.101 8.581 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -2.213 -11.677 10.361 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -2.394 -10.300 9.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -4.335 -11.886 9.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -3.828 -11.484 7.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -3.407 -12.987 8.557 1.00 0.00 H new ATOM 1300 N ARG A 82 -0.800 -15.710 4.495 1.00 0.00 N ATOM 1301 CA ARG A 82 -0.969 -17.002 3.852 1.00 0.00 C ATOM 1302 C ARG A 82 -0.435 -16.955 2.419 1.00 0.00 C ATOM 1303 O ARG A 82 -1.143 -16.540 1.502 1.00 0.00 O ATOM 1304 CB ARG A 82 -2.442 -17.416 3.827 1.00 0.00 C ATOM 1305 CG ARG A 82 -2.986 -17.592 5.245 1.00 0.00 C ATOM 1306 CD ARG A 82 -4.299 -18.378 5.235 1.00 0.00 C ATOM 1307 NE ARG A 82 -4.403 -19.206 6.458 1.00 0.00 N ATOM 1308 CZ ARG A 82 -4.604 -18.710 7.686 1.00 0.00 C ATOM 1309 NH1 ARG A 82 -4.724 -17.387 7.863 1.00 0.00 N ATOM 1310 NH2 ARG A 82 -4.685 -19.537 8.738 1.00 0.00 N ATOM 0 H ARG A 82 -0.965 -14.907 3.889 1.00 0.00 H new ATOM 0 HA ARG A 82 -0.407 -17.736 4.429 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -3.027 -16.662 3.300 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -2.552 -18.348 3.273 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -2.251 -18.113 5.858 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -3.146 -16.615 5.701 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -5.143 -17.691 5.178 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -4.345 -19.014 4.351 1.00 0.00 H new ATOM 0 HE ARG A 82 -4.316 -20.217 6.359 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -4.662 -16.758 7.063 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -4.877 -17.009 8.798 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -4.594 -20.544 8.603 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -4.838 -19.159 9.673 1.00 0.00 H new ATOM 1324 N PRO A 83 0.842 -17.397 2.266 1.00 0.00 N ATOM 1325 CA PRO A 83 1.479 -17.410 0.960 1.00 0.00 C ATOM 1326 C PRO A 83 0.942 -18.555 0.100 1.00 0.00 C ATOM 1327 O PRO A 83 1.139 -18.569 -1.115 1.00 0.00 O ATOM 1328 CB PRO A 83 2.966 -17.530 1.249 1.00 0.00 C ATOM 1329 CG PRO A 83 3.073 -18.046 2.675 1.00 0.00 C ATOM 1330 CD PRO A 83 1.710 -17.896 3.329 1.00 0.00 C ATOM 0 HA PRO A 83 1.271 -16.510 0.381 1.00 0.00 H new ATOM 0 HB2 PRO A 83 3.446 -18.214 0.549 1.00 0.00 H new ATOM 0 HB3 PRO A 83 3.463 -16.566 1.144 1.00 0.00 H new ATOM 0 HG2 PRO A 83 3.386 -19.090 2.681 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.826 -17.485 3.228 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.351 -18.848 3.719 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.748 -17.202 4.168 1.00 0.00 H new ATOM 1338 N GLU A 84 0.275 -19.489 0.762 1.00 0.00 N ATOM 1339 CA GLU A 84 -0.291 -20.636 0.073 1.00 0.00 C ATOM 1340 C GLU A 84 -1.264 -20.175 -1.014 1.00 0.00 C ATOM 1341 O GLU A 84 -1.489 -20.885 -1.993 1.00 0.00 O ATOM 1342 CB GLU A 84 -0.978 -21.583 1.058 1.00 0.00 C ATOM 1343 CG GLU A 84 -2.219 -20.931 1.671 1.00 0.00 C ATOM 1344 CD GLU A 84 -3.032 -21.948 2.475 1.00 0.00 C ATOM 1345 OE1 GLU A 84 -3.604 -22.854 1.831 1.00 0.00 O ATOM 1346 OE2 GLU A 84 -3.064 -21.796 3.715 1.00 0.00 O ATOM 0 H GLU A 84 0.114 -19.475 1.769 1.00 0.00 H new ATOM 0 HA GLU A 84 0.521 -21.186 -0.403 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.261 -22.503 0.546 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.280 -21.860 1.848 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.919 -20.107 2.318 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.839 -20.507 0.881 1.00 0.00 H new ATOM 1353 N LEU A 85 -1.815 -18.988 -0.806 1.00 0.00 N ATOM 1354 CA LEU A 85 -2.759 -18.424 -1.756 1.00 0.00 C ATOM 1355 C LEU A 85 -2.023 -18.072 -3.050 1.00 0.00 C ATOM 1356 O LEU A 85 -2.521 -18.339 -4.143 1.00 0.00 O ATOM 1357 CB LEU A 85 -3.505 -17.243 -1.132 1.00 0.00 C ATOM 1358 CG LEU A 85 -4.222 -17.525 0.190 1.00 0.00 C ATOM 1359 CD1 LEU A 85 -4.792 -16.239 0.790 1.00 0.00 C ATOM 1360 CD2 LEU A 85 -5.297 -18.600 0.012 1.00 0.00 C ATOM 0 H LEU A 85 -1.626 -18.401 0.007 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.525 -19.155 -2.013 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.793 -16.434 -0.971 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.240 -16.882 -1.851 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.491 -17.914 0.899 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.296 -16.468 1.729 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.982 -15.534 0.976 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.505 -15.797 0.094 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.791 -18.782 0.966 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.032 -18.262 -0.719 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.834 -19.523 -0.338 1.00 0.00 H new ATOM 1372 N LEU A 86 -0.851 -17.478 -2.885 1.00 0.00 N ATOM 1373 CA LEU A 86 -0.042 -17.087 -4.027 1.00 0.00 C ATOM 1374 C LEU A 86 -0.008 -18.234 -5.039 1.00 0.00 C ATOM 1375 O LEU A 86 -0.255 -18.027 -6.226 1.00 0.00 O ATOM 1376 CB LEU A 86 1.344 -16.628 -3.570 1.00 0.00 C ATOM 1377 CG LEU A 86 1.370 -15.507 -2.529 1.00 0.00 C ATOM 1378 CD1 LEU A 86 2.804 -15.197 -2.094 1.00 0.00 C ATOM 1379 CD2 LEU A 86 0.646 -14.263 -3.045 1.00 0.00 C ATOM 0 H LEU A 86 -0.442 -17.258 -1.977 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.485 -16.229 -4.532 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.873 -17.489 -3.161 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.902 -16.297 -4.446 1.00 0.00 H new ATOM 0 HG LEU A 86 0.832 -15.849 -1.645 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.795 -14.397 -1.354 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.253 -16.089 -1.658 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.387 -14.884 -2.960 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.679 -13.482 -2.286 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.134 -13.908 -3.953 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.392 -14.511 -3.265 1.00 0.00 H new