USER MOD reduce.3.24.130724 H: found=0, std=0, add=632, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 631 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 57 ASN : amide:sc= -3.02 K(o=-10,f=-12!) USER MOD Set 1.2: A 59 ASN : amide:sc= -7.02! C(o=-10!,f=-7.4!) USER MOD Single : A 11 GLN : amide:sc= -1.11 K(o=-1.1,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -5.14! C(o=-5.1!,f=-7.2!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.521 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot -34:sc= 0.274 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 170:sc= -1.09 USER MOD Single : A 47 THR OG1 : rot -92:sc= 1.09 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 152:sc= 1.67 USER MOD Single : A 64 HIS : no HD1:sc=-0.00683 X(o=-0.0068,f=-0.01) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 MET CE :methyl 155:sc= -0.804 (180deg=-1.11) USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 1.489 7.711 -5.235 1.00 0.00 N ATOM 67 CA LEU A 8 0.629 7.023 -4.288 1.00 0.00 C ATOM 68 C LEU A 8 0.528 5.547 -4.676 1.00 0.00 C ATOM 69 O LEU A 8 0.740 4.665 -3.845 1.00 0.00 O ATOM 70 CB LEU A 8 -0.725 7.727 -4.184 1.00 0.00 C ATOM 71 CG LEU A 8 -0.688 9.193 -3.747 1.00 0.00 C ATOM 72 CD1 LEU A 8 -1.965 9.922 -4.166 1.00 0.00 C ATOM 73 CD2 LEU A 8 -0.427 9.309 -2.244 1.00 0.00 C ATOM 0 HA LEU A 8 1.058 7.060 -3.287 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.217 7.670 -5.155 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.346 7.174 -3.479 1.00 0.00 H new ATOM 0 HG LEU A 8 0.142 9.682 -4.257 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.913 10.962 -3.843 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.067 9.883 -5.251 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.827 9.441 -3.703 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.405 10.361 -1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.221 8.801 -1.697 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.531 8.848 -2.005 1.00 0.00 H new ATOM 85 N ARG A 9 0.202 5.322 -5.941 1.00 0.00 N ATOM 86 CA ARG A 9 0.069 3.968 -6.450 1.00 0.00 C ATOM 87 C ARG A 9 1.189 3.082 -5.902 1.00 0.00 C ATOM 88 O ARG A 9 0.927 2.021 -5.338 1.00 0.00 O ATOM 89 CB ARG A 9 0.114 3.947 -7.980 1.00 0.00 C ATOM 90 CG ARG A 9 -0.547 2.683 -8.531 1.00 0.00 C ATOM 91 CD ARG A 9 0.416 1.911 -9.436 1.00 0.00 C ATOM 92 NE ARG A 9 0.434 2.515 -10.787 1.00 0.00 N ATOM 93 CZ ARG A 9 0.841 1.873 -11.892 1.00 0.00 C ATOM 94 NH1 ARG A 9 1.263 0.604 -11.812 1.00 0.00 N ATOM 95 NH2 ARG A 9 0.823 2.500 -13.075 1.00 0.00 N ATOM 0 H ARG A 9 0.026 6.055 -6.628 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.897 3.584 -6.121 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -0.393 4.828 -8.374 1.00 0.00 H new ATOM 0 HB3 ARG A 9 1.149 3.997 -8.318 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -0.866 2.046 -7.706 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.442 2.951 -9.092 1.00 0.00 H new ATOM 0 HD2 ARG A 9 1.419 1.924 -9.009 1.00 0.00 H new ATOM 0 HD3 ARG A 9 0.110 0.867 -9.499 1.00 0.00 H new ATOM 0 HE ARG A 9 0.117 3.480 -10.884 1.00 0.00 H new ATOM 0 HH11 ARG A 9 1.275 0.126 -10.911 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.573 0.116 -12.652 1.00 0.00 H new ATOM 0 HH21 ARG A 9 0.500 3.466 -13.136 1.00 0.00 H new ATOM 0 HH22 ARG A 9 1.132 2.012 -13.916 1.00 0.00 H new ATOM 109 N GLU A 10 2.415 3.550 -6.087 1.00 0.00 N ATOM 110 CA GLU A 10 3.576 2.814 -5.619 1.00 0.00 C ATOM 111 C GLU A 10 3.569 2.729 -4.091 1.00 0.00 C ATOM 112 O GLU A 10 3.822 1.667 -3.524 1.00 0.00 O ATOM 113 CB GLU A 10 4.871 3.451 -6.126 1.00 0.00 C ATOM 114 CG GLU A 10 5.494 2.612 -7.243 1.00 0.00 C ATOM 115 CD GLU A 10 6.564 1.668 -6.689 1.00 0.00 C ATOM 116 OE1 GLU A 10 6.173 0.741 -5.947 1.00 0.00 O ATOM 117 OE2 GLU A 10 7.747 1.894 -7.021 1.00 0.00 O ATOM 0 H GLU A 10 2.629 4.431 -6.555 1.00 0.00 H new ATOM 0 HA GLU A 10 3.526 1.802 -6.021 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.666 4.457 -6.493 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.578 3.550 -5.303 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.718 2.033 -7.744 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.936 3.269 -7.992 1.00 0.00 H new ATOM 124 N GLN A 11 3.276 3.861 -3.468 1.00 0.00 N ATOM 125 CA GLN A 11 3.233 3.928 -2.017 1.00 0.00 C ATOM 126 C GLN A 11 2.290 2.856 -1.464 1.00 0.00 C ATOM 127 O GLN A 11 2.607 2.196 -0.475 1.00 0.00 O ATOM 128 CB GLN A 11 2.815 5.321 -1.545 1.00 0.00 C ATOM 129 CG GLN A 11 3.811 6.382 -2.017 1.00 0.00 C ATOM 130 CD GLN A 11 3.940 7.509 -0.990 1.00 0.00 C ATOM 131 OE1 GLN A 11 4.868 7.559 -0.199 1.00 0.00 O ATOM 132 NE2 GLN A 11 2.961 8.408 -1.046 1.00 0.00 N ATOM 0 H GLN A 11 3.066 4.740 -3.942 1.00 0.00 H new ATOM 0 HA GLN A 11 4.235 3.736 -1.634 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.821 5.555 -1.926 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.751 5.336 -0.457 1.00 0.00 H new ATOM 0 HG2 GLN A 11 4.786 5.923 -2.183 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.485 6.792 -2.973 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.214 8.306 -1.733 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.957 9.199 -0.402 1.00 0.00 H new ATOM 141 N VAL A 12 1.153 2.714 -2.128 1.00 0.00 N ATOM 142 CA VAL A 12 0.163 1.734 -1.716 1.00 0.00 C ATOM 143 C VAL A 12 0.695 0.327 -1.999 1.00 0.00 C ATOM 144 O VAL A 12 0.484 -0.591 -1.209 1.00 0.00 O ATOM 145 CB VAL A 12 -1.173 2.018 -2.406 1.00 0.00 C ATOM 146 CG1 VAL A 12 -2.194 0.920 -2.096 1.00 0.00 C ATOM 147 CG2 VAL A 12 -1.712 3.394 -2.012 1.00 0.00 C ATOM 0 H VAL A 12 0.895 3.262 -2.949 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.019 1.803 -0.644 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.000 2.022 -3.482 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.135 1.146 -2.598 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.815 -0.039 -2.449 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.360 0.871 -1.020 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.662 3.571 -2.516 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.862 3.431 -0.933 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.997 4.163 -2.306 1.00 0.00 H new ATOM 157 N LYS A 13 1.375 0.203 -3.129 1.00 0.00 N ATOM 158 CA LYS A 13 1.940 -1.075 -3.527 1.00 0.00 C ATOM 159 C LYS A 13 2.784 -1.634 -2.380 1.00 0.00 C ATOM 160 O LYS A 13 2.496 -2.710 -1.860 1.00 0.00 O ATOM 161 CB LYS A 13 2.707 -0.936 -4.843 1.00 0.00 C ATOM 162 CG LYS A 13 1.757 -1.002 -6.041 1.00 0.00 C ATOM 163 CD LYS A 13 2.513 -0.782 -7.353 1.00 0.00 C ATOM 164 CE LYS A 13 1.987 -1.710 -8.450 1.00 0.00 C ATOM 165 NZ LYS A 13 3.108 -2.268 -9.239 1.00 0.00 N ATOM 0 H LYS A 13 1.548 0.967 -3.782 1.00 0.00 H new ATOM 0 HA LYS A 13 1.147 -1.797 -3.722 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.248 0.010 -4.855 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.451 -1.729 -4.920 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.259 -1.972 -6.062 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.979 -0.246 -5.935 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.408 0.256 -7.668 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.577 -0.962 -7.199 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.410 -2.520 -8.004 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.311 -1.161 -9.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.733 -2.895 -9.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.642 -1.492 -9.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.738 -2.809 -8.613 1.00 0.00 H new ATOM 179 N GLU A 14 3.809 -0.876 -2.018 1.00 0.00 N ATOM 180 CA GLU A 14 4.697 -1.282 -0.942 1.00 0.00 C ATOM 181 C GLU A 14 3.898 -1.535 0.338 1.00 0.00 C ATOM 182 O GLU A 14 4.216 -2.444 1.103 1.00 0.00 O ATOM 183 CB GLU A 14 5.790 -0.238 -0.709 1.00 0.00 C ATOM 184 CG GLU A 14 6.978 -0.470 -1.643 1.00 0.00 C ATOM 185 CD GLU A 14 8.237 -0.827 -0.851 1.00 0.00 C ATOM 186 OE1 GLU A 14 8.775 0.091 -0.194 1.00 0.00 O ATOM 187 OE2 GLU A 14 8.635 -2.010 -0.920 1.00 0.00 O ATOM 0 H GLU A 14 4.044 0.017 -2.451 1.00 0.00 H new ATOM 0 HA GLU A 14 5.186 -2.212 -1.232 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.385 0.761 -0.872 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.124 -0.281 0.328 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.744 -1.273 -2.342 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.159 0.426 -2.236 1.00 0.00 H new ATOM 194 N LEU A 15 2.876 -0.715 0.532 1.00 0.00 N ATOM 195 CA LEU A 15 2.029 -0.838 1.706 1.00 0.00 C ATOM 196 C LEU A 15 1.470 -2.261 1.779 1.00 0.00 C ATOM 197 O LEU A 15 1.847 -3.035 2.657 1.00 0.00 O ATOM 198 CB LEU A 15 0.951 0.248 1.705 1.00 0.00 C ATOM 199 CG LEU A 15 -0.349 -0.098 2.434 1.00 0.00 C ATOM 200 CD1 LEU A 15 -0.163 -0.026 3.951 1.00 0.00 C ATOM 201 CD2 LEU A 15 -1.500 0.789 1.954 1.00 0.00 C ATOM 0 H LEU A 15 2.615 0.038 -0.105 1.00 0.00 H new ATOM 0 HA LEU A 15 2.610 -0.677 2.614 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.369 1.148 2.156 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.710 0.493 0.670 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.613 -1.127 2.191 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.102 -0.276 4.445 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.608 -0.733 4.257 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.138 0.983 4.233 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.412 0.522 2.488 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.259 1.834 2.147 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.650 0.643 0.884 1.00 0.00 H new ATOM 213 N PHE A 16 0.580 -2.561 0.846 1.00 0.00 N ATOM 214 CA PHE A 16 -0.035 -3.877 0.792 1.00 0.00 C ATOM 215 C PHE A 16 1.020 -4.980 0.903 1.00 0.00 C ATOM 216 O PHE A 16 0.807 -5.981 1.584 1.00 0.00 O ATOM 217 CB PHE A 16 -0.735 -3.990 -0.563 1.00 0.00 C ATOM 218 CG PHE A 16 -2.055 -3.220 -0.649 1.00 0.00 C ATOM 219 CD1 PHE A 16 -2.991 -3.367 0.326 1.00 0.00 C ATOM 220 CD2 PHE A 16 -2.290 -2.390 -1.699 1.00 0.00 C ATOM 221 CE1 PHE A 16 -4.216 -2.654 0.247 1.00 0.00 C ATOM 222 CE2 PHE A 16 -3.515 -1.675 -1.778 1.00 0.00 C ATOM 223 CZ PHE A 16 -4.453 -1.822 -0.804 1.00 0.00 C ATOM 0 H PHE A 16 0.269 -1.915 0.120 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.734 -3.995 1.620 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.062 -3.625 -1.339 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.926 -5.042 -0.775 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.803 -4.026 1.161 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.546 -2.274 -2.473 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.960 -2.772 1.021 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.702 -1.014 -2.612 1.00 0.00 H new ATOM 0 HZ PHE A 16 -5.385 -1.279 -0.864 1.00 0.00 H new ATOM 233 N ASN A 17 2.135 -4.757 0.222 1.00 0.00 N ATOM 234 CA ASN A 17 3.224 -5.720 0.235 1.00 0.00 C ATOM 235 C ASN A 17 3.803 -5.810 1.648 1.00 0.00 C ATOM 236 O ASN A 17 4.086 -6.901 2.139 1.00 0.00 O ATOM 237 CB ASN A 17 4.347 -5.293 -0.711 1.00 0.00 C ATOM 238 CG ASN A 17 3.848 -5.215 -2.156 1.00 0.00 C ATOM 239 OD1 ASN A 17 2.673 -5.029 -2.425 1.00 0.00 O ATOM 240 ND2 ASN A 17 4.805 -5.368 -3.067 1.00 0.00 N ATOM 0 H ASN A 17 2.308 -3.925 -0.342 1.00 0.00 H new ATOM 0 HA ASN A 17 2.827 -6.683 -0.088 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.736 -4.322 -0.404 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.172 -6.002 -0.645 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.574 -5.333 -4.060 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.770 -5.521 -2.773 1.00 0.00 H new ATOM 247 N GLU A 18 3.963 -4.646 2.261 1.00 0.00 N ATOM 248 CA GLU A 18 4.505 -4.580 3.608 1.00 0.00 C ATOM 249 C GLU A 18 3.632 -5.388 4.572 1.00 0.00 C ATOM 250 O GLU A 18 4.144 -6.179 5.362 1.00 0.00 O ATOM 251 CB GLU A 18 4.636 -3.128 4.075 1.00 0.00 C ATOM 252 CG GLU A 18 5.804 -2.431 3.374 1.00 0.00 C ATOM 253 CD GLU A 18 7.016 -2.325 4.303 1.00 0.00 C ATOM 254 OE1 GLU A 18 7.575 -3.393 4.632 1.00 0.00 O ATOM 255 OE2 GLU A 18 7.355 -1.177 4.663 1.00 0.00 O ATOM 0 H GLU A 18 3.727 -3.742 1.851 1.00 0.00 H new ATOM 0 HA GLU A 18 5.503 -5.017 3.599 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.710 -2.591 3.869 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.786 -3.101 5.154 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.077 -2.985 2.476 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.499 -1.435 3.054 1.00 0.00 H new ATOM 262 N LYS A 19 2.330 -5.160 4.473 1.00 0.00 N ATOM 263 CA LYS A 19 1.383 -5.857 5.326 1.00 0.00 C ATOM 264 C LYS A 19 1.521 -7.365 5.109 1.00 0.00 C ATOM 265 O LYS A 19 1.650 -8.125 6.068 1.00 0.00 O ATOM 266 CB LYS A 19 -0.035 -5.330 5.095 1.00 0.00 C ATOM 267 CG LYS A 19 -0.137 -3.851 5.470 1.00 0.00 C ATOM 268 CD LYS A 19 -0.240 -3.675 6.987 1.00 0.00 C ATOM 269 CE LYS A 19 -0.076 -2.206 7.382 1.00 0.00 C ATOM 270 NZ LYS A 19 0.548 -2.095 8.719 1.00 0.00 N ATOM 0 H LYS A 19 1.910 -4.503 3.816 1.00 0.00 H new ATOM 0 HA LYS A 19 1.603 -5.664 6.376 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.311 -5.464 4.049 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.743 -5.909 5.688 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.737 -3.317 5.097 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.010 -3.410 4.989 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.205 -4.043 7.334 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.526 -4.275 7.479 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.539 -1.691 6.644 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.049 -1.714 7.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.652 -1.091 8.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.053 -2.569 9.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.485 -2.547 8.704 1.00 0.00 H new ATOM 284 N TYR A 20 1.490 -7.754 3.843 1.00 0.00 N ATOM 285 CA TYR A 20 1.611 -9.157 3.487 1.00 0.00 C ATOM 286 C TYR A 20 2.807 -9.800 4.192 1.00 0.00 C ATOM 287 O TYR A 20 2.677 -10.863 4.798 1.00 0.00 O ATOM 288 CB TYR A 20 1.845 -9.191 1.976 1.00 0.00 C ATOM 289 CG TYR A 20 1.337 -10.464 1.295 1.00 0.00 C ATOM 290 CD1 TYR A 20 0.040 -10.887 1.504 1.00 0.00 C ATOM 291 CD2 TYR A 20 2.176 -11.188 0.473 1.00 0.00 C ATOM 292 CE1 TYR A 20 -0.438 -12.085 0.863 1.00 0.00 C ATOM 293 CE2 TYR A 20 1.697 -12.386 -0.168 1.00 0.00 C ATOM 294 CZ TYR A 20 0.415 -12.775 0.060 1.00 0.00 C ATOM 295 OH TYR A 20 -0.037 -13.907 -0.546 1.00 0.00 O ATOM 0 H TYR A 20 1.383 -7.121 3.050 1.00 0.00 H new ATOM 0 HA TYR A 20 0.717 -9.706 3.783 1.00 0.00 H new ATOM 0 HB2 TYR A 20 1.355 -8.329 1.523 1.00 0.00 H new ATOM 0 HB3 TYR A 20 2.913 -9.089 1.782 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -0.616 -10.320 2.148 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.191 -10.857 0.310 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -1.451 -12.427 1.017 1.00 0.00 H new ATOM 0 HE2 TYR A 20 2.342 -12.962 -0.815 1.00 0.00 H new ATOM 0 HH TYR A 20 0.680 -14.295 -1.090 1.00 0.00 H new ATOM 305 N GLY A 21 3.944 -9.131 4.087 1.00 0.00 N ATOM 306 CA GLY A 21 5.163 -9.624 4.706 1.00 0.00 C ATOM 307 C GLY A 21 4.959 -9.866 6.203 1.00 0.00 C ATOM 308 O GLY A 21 5.145 -10.981 6.687 1.00 0.00 O ATOM 0 H GLY A 21 4.048 -8.251 3.582 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.471 -10.551 4.223 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.968 -8.904 4.557 1.00 0.00 H new ATOM 312 N GLU A 22 4.577 -8.801 6.895 1.00 0.00 N ATOM 313 CA GLU A 22 4.346 -8.884 8.327 1.00 0.00 C ATOM 314 C GLU A 22 3.360 -10.012 8.641 1.00 0.00 C ATOM 315 O GLU A 22 3.632 -10.859 9.490 1.00 0.00 O ATOM 316 CB GLU A 22 3.844 -7.548 8.879 1.00 0.00 C ATOM 317 CG GLU A 22 4.759 -6.400 8.452 1.00 0.00 C ATOM 318 CD GLU A 22 4.906 -5.370 9.574 1.00 0.00 C ATOM 319 OE1 GLU A 22 3.867 -4.787 9.950 1.00 0.00 O ATOM 320 OE2 GLU A 22 6.056 -5.189 10.031 1.00 0.00 O ATOM 0 H GLU A 22 4.422 -7.878 6.490 1.00 0.00 H new ATOM 0 HA GLU A 22 5.294 -9.109 8.816 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.831 -7.361 8.524 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.797 -7.595 9.967 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.740 -6.793 8.183 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.353 -5.918 7.562 1.00 0.00 H new ATOM 327 N ALA A 23 2.237 -9.986 7.939 1.00 0.00 N ATOM 328 CA ALA A 23 1.210 -10.995 8.131 1.00 0.00 C ATOM 329 C ALA A 23 1.811 -12.381 7.884 1.00 0.00 C ATOM 330 O ALA A 23 1.438 -13.350 8.544 1.00 0.00 O ATOM 331 CB ALA A 23 0.025 -10.701 7.210 1.00 0.00 C ATOM 0 H ALA A 23 2.016 -9.281 7.236 1.00 0.00 H new ATOM 0 HA ALA A 23 0.838 -10.974 9.156 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.745 -11.459 7.355 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.384 -9.718 7.446 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.358 -10.716 6.172 1.00 0.00 H new ATOM 337 N LEU A 24 2.731 -12.431 6.932 1.00 0.00 N ATOM 338 CA LEU A 24 3.386 -13.681 6.590 1.00 0.00 C ATOM 339 C LEU A 24 4.298 -14.107 7.743 1.00 0.00 C ATOM 340 O LEU A 24 4.800 -15.230 7.760 1.00 0.00 O ATOM 341 CB LEU A 24 4.111 -13.557 5.248 1.00 0.00 C ATOM 342 CG LEU A 24 3.225 -13.610 4.001 1.00 0.00 C ATOM 343 CD1 LEU A 24 3.850 -12.817 2.851 1.00 0.00 C ATOM 344 CD2 LEU A 24 2.925 -15.056 3.603 1.00 0.00 C ATOM 0 H LEU A 24 3.038 -11.625 6.387 1.00 0.00 H new ATOM 0 HA LEU A 24 2.648 -14.472 6.457 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.660 -12.616 5.240 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.848 -14.357 5.180 1.00 0.00 H new ATOM 0 HG LEU A 24 2.272 -13.137 4.238 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.201 -12.871 1.977 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.970 -11.776 3.150 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.825 -13.239 2.605 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.294 -15.065 2.714 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.859 -15.576 3.390 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.408 -15.559 4.420 1.00 0.00 H new ATOM 356 N GLY A 25 4.484 -13.187 8.678 1.00 0.00 N ATOM 357 CA GLY A 25 5.327 -13.453 9.832 1.00 0.00 C ATOM 358 C GLY A 25 6.805 -13.261 9.488 1.00 0.00 C ATOM 359 O GLY A 25 7.680 -13.739 10.207 1.00 0.00 O ATOM 0 H GLY A 25 4.066 -12.257 8.660 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.051 -12.787 10.650 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.161 -14.472 10.181 1.00 0.00 H new ATOM 363 N LEU A 26 7.037 -12.561 8.387 1.00 0.00 N ATOM 364 CA LEU A 26 8.395 -12.300 7.939 1.00 0.00 C ATOM 365 C LEU A 26 8.828 -10.913 8.418 1.00 0.00 C ATOM 366 O LEU A 26 8.147 -10.293 9.232 1.00 0.00 O ATOM 367 CB LEU A 26 8.504 -12.489 6.424 1.00 0.00 C ATOM 368 CG LEU A 26 7.816 -13.730 5.852 1.00 0.00 C ATOM 369 CD1 LEU A 26 8.177 -13.927 4.379 1.00 0.00 C ATOM 370 CD2 LEU A 26 8.133 -14.970 6.691 1.00 0.00 C ATOM 0 H LEU A 26 6.308 -12.167 7.792 1.00 0.00 H new ATOM 0 HA LEU A 26 9.086 -13.019 8.378 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.085 -11.609 5.937 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.560 -12.528 6.158 1.00 0.00 H new ATOM 0 HG LEU A 26 6.738 -13.576 5.902 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.675 -14.816 3.997 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.858 -13.056 3.807 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.256 -14.050 4.282 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.631 -15.837 6.262 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.210 -15.140 6.697 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.784 -14.817 7.712 1.00 0.00 H new ATOM 382 N ASN A 27 9.959 -10.467 7.892 1.00 0.00 N ATOM 383 CA ASN A 27 10.491 -9.165 8.256 1.00 0.00 C ATOM 384 C ASN A 27 10.774 -8.361 6.985 1.00 0.00 C ATOM 385 O ASN A 27 11.525 -7.388 7.017 1.00 0.00 O ATOM 386 CB ASN A 27 11.805 -9.303 9.029 1.00 0.00 C ATOM 387 CG ASN A 27 11.796 -8.429 10.285 1.00 0.00 C ATOM 388 OD1 ASN A 27 12.318 -7.327 10.309 1.00 0.00 O ATOM 389 ND2 ASN A 27 11.175 -8.981 11.323 1.00 0.00 N ATOM 0 H ASN A 27 10.522 -10.984 7.217 1.00 0.00 H new ATOM 0 HA ASN A 27 9.754 -8.663 8.883 1.00 0.00 H new ATOM 0 HB2 ASN A 27 11.959 -10.345 9.308 1.00 0.00 H new ATOM 0 HB3 ASN A 27 12.640 -9.017 8.389 1.00 0.00 H new ATOM 0 HD21 ASN A 27 11.114 -8.477 12.208 1.00 0.00 H new ATOM 0 HD22 ASN A 27 10.759 -9.908 11.234 1.00 0.00 H new ATOM 396 N ARG A 28 10.156 -8.798 5.897 1.00 0.00 N ATOM 397 CA ARG A 28 10.330 -8.131 4.619 1.00 0.00 C ATOM 398 C ARG A 28 8.995 -8.042 3.879 1.00 0.00 C ATOM 399 O ARG A 28 8.118 -8.882 4.071 1.00 0.00 O ATOM 400 CB ARG A 28 11.342 -8.874 3.743 1.00 0.00 C ATOM 401 CG ARG A 28 11.225 -10.388 3.936 1.00 0.00 C ATOM 402 CD ARG A 28 11.351 -11.122 2.600 1.00 0.00 C ATOM 403 NE ARG A 28 12.312 -12.239 2.724 1.00 0.00 N ATOM 404 CZ ARG A 28 13.642 -12.101 2.621 1.00 0.00 C ATOM 405 NH1 ARG A 28 14.174 -10.893 2.392 1.00 0.00 N ATOM 406 NH2 ARG A 28 14.438 -13.171 2.748 1.00 0.00 N ATOM 0 H ARG A 28 9.534 -9.606 5.875 1.00 0.00 H new ATOM 0 HA ARG A 28 10.706 -7.127 4.818 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.175 -8.623 2.695 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.352 -8.549 3.992 1.00 0.00 H new ATOM 0 HG2 ARG A 28 12.002 -10.732 4.619 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.267 -10.626 4.397 1.00 0.00 H new ATOM 0 HD2 ARG A 28 10.377 -11.502 2.292 1.00 0.00 H new ATOM 0 HD3 ARG A 28 11.683 -10.430 1.826 1.00 0.00 H new ATOM 0 HE ARG A 28 11.940 -13.173 2.899 1.00 0.00 H new ATOM 0 HH11 ARG A 28 13.568 -10.079 2.296 1.00 0.00 H new ATOM 0 HH12 ARG A 28 15.186 -10.788 2.314 1.00 0.00 H new ATOM 0 HH21 ARG A 28 14.032 -14.090 2.923 1.00 0.00 H new ATOM 0 HH22 ARG A 28 15.450 -13.066 2.670 1.00 0.00 H new ATOM 420 N PRO A 29 8.878 -6.989 3.027 1.00 0.00 N ATOM 421 CA PRO A 29 7.664 -6.779 2.257 1.00 0.00 C ATOM 422 C PRO A 29 7.571 -7.772 1.097 1.00 0.00 C ATOM 423 O PRO A 29 8.524 -7.933 0.336 1.00 0.00 O ATOM 424 CB PRO A 29 7.734 -5.332 1.797 1.00 0.00 C ATOM 425 CG PRO A 29 9.192 -4.924 1.928 1.00 0.00 C ATOM 426 CD PRO A 29 9.896 -5.973 2.774 1.00 0.00 C ATOM 0 HA PRO A 29 6.761 -6.953 2.841 1.00 0.00 H new ATOM 0 HB2 PRO A 29 7.391 -5.232 0.767 1.00 0.00 H new ATOM 0 HB3 PRO A 29 7.094 -4.696 2.409 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.658 -4.851 0.945 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.273 -3.941 2.393 1.00 0.00 H new ATOM 0 HD2 PRO A 29 10.754 -6.394 2.250 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.269 -5.546 3.705 1.00 0.00 H new ATOM 434 N VAL A 30 6.415 -8.412 0.999 1.00 0.00 N ATOM 435 CA VAL A 30 6.186 -9.385 -0.056 1.00 0.00 C ATOM 436 C VAL A 30 4.967 -8.963 -0.878 1.00 0.00 C ATOM 437 O VAL A 30 3.982 -8.474 -0.326 1.00 0.00 O ATOM 438 CB VAL A 30 6.046 -10.785 0.546 1.00 0.00 C ATOM 439 CG1 VAL A 30 5.626 -11.800 -0.520 1.00 0.00 C ATOM 440 CG2 VAL A 30 7.341 -11.218 1.235 1.00 0.00 C ATOM 0 H VAL A 30 5.627 -8.276 1.632 1.00 0.00 H new ATOM 0 HA VAL A 30 7.038 -9.421 -0.735 1.00 0.00 H new ATOM 0 HB VAL A 30 5.261 -10.748 1.302 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.534 -12.787 -0.066 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.667 -11.505 -0.946 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.378 -11.832 -1.308 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.214 -12.216 1.654 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.153 -11.230 0.508 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.580 -10.517 2.034 1.00 0.00 H new ATOM 450 N LEU A 31 5.073 -9.166 -2.183 1.00 0.00 N ATOM 451 CA LEU A 31 3.991 -8.811 -3.086 1.00 0.00 C ATOM 452 C LEU A 31 2.715 -9.535 -2.654 1.00 0.00 C ATOM 453 O LEU A 31 2.775 -10.546 -1.956 1.00 0.00 O ATOM 454 CB LEU A 31 4.393 -9.086 -4.537 1.00 0.00 C ATOM 455 CG LEU A 31 5.153 -7.964 -5.247 1.00 0.00 C ATOM 456 CD1 LEU A 31 6.026 -8.521 -6.373 1.00 0.00 C ATOM 457 CD2 LEU A 31 4.192 -6.883 -5.747 1.00 0.00 C ATOM 0 H LEU A 31 5.891 -9.572 -2.637 1.00 0.00 H new ATOM 0 HA LEU A 31 3.785 -7.742 -3.033 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.009 -9.985 -4.558 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.491 -9.304 -5.108 1.00 0.00 H new ATOM 0 HG LEU A 31 5.821 -7.493 -4.526 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.555 -7.703 -6.862 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.748 -9.225 -5.959 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.397 -9.033 -7.102 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.757 -6.097 -6.248 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.483 -7.323 -6.448 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.651 -6.458 -4.902 1.00 0.00 H new ATOM 469 N VAL A 32 1.588 -8.988 -3.086 1.00 0.00 N ATOM 470 CA VAL A 32 0.298 -9.569 -2.752 1.00 0.00 C ATOM 471 C VAL A 32 -0.359 -10.106 -4.025 1.00 0.00 C ATOM 472 O VAL A 32 -0.663 -9.343 -4.941 1.00 0.00 O ATOM 473 CB VAL A 32 -0.567 -8.538 -2.023 1.00 0.00 C ATOM 474 CG1 VAL A 32 -1.988 -9.064 -1.816 1.00 0.00 C ATOM 475 CG2 VAL A 32 0.068 -8.135 -0.691 1.00 0.00 C ATOM 0 H VAL A 32 1.541 -8.149 -3.664 1.00 0.00 H new ATOM 0 HA VAL A 32 0.423 -10.410 -2.070 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.627 -7.648 -2.649 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.582 -8.312 -1.296 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.441 -9.279 -2.784 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.955 -9.976 -1.220 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.566 -7.402 -0.193 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.172 -9.015 -0.057 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.051 -7.701 -0.873 1.00 0.00 H new ATOM 485 N PRO A 33 -0.564 -11.451 -4.042 1.00 0.00 N ATOM 486 CA PRO A 33 -1.179 -12.099 -5.187 1.00 0.00 C ATOM 487 C PRO A 33 -2.686 -11.834 -5.224 1.00 0.00 C ATOM 488 O PRO A 33 -3.483 -12.715 -4.901 1.00 0.00 O ATOM 489 CB PRO A 33 -0.838 -13.573 -5.034 1.00 0.00 C ATOM 490 CG PRO A 33 -0.447 -13.761 -3.578 1.00 0.00 C ATOM 491 CD PRO A 33 -0.217 -12.385 -2.975 1.00 0.00 C ATOM 0 HA PRO A 33 -0.809 -11.714 -6.137 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.691 -14.200 -5.293 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.021 -13.856 -5.698 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.233 -14.288 -3.037 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.455 -14.367 -3.500 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -0.840 -12.229 -2.094 1.00 0.00 H new ATOM 0 HD3 PRO A 33 0.819 -12.259 -2.659 1.00 0.00 H new ATOM 499 N TYR A 34 -3.031 -10.618 -5.618 1.00 0.00 N ATOM 500 CA TYR A 34 -4.428 -10.226 -5.701 1.00 0.00 C ATOM 501 C TYR A 34 -5.222 -11.205 -6.568 1.00 0.00 C ATOM 502 O TYR A 34 -6.372 -11.516 -6.264 1.00 0.00 O ATOM 503 CB TYR A 34 -4.440 -8.849 -6.368 1.00 0.00 C ATOM 504 CG TYR A 34 -3.601 -7.797 -5.639 1.00 0.00 C ATOM 505 CD1 TYR A 34 -4.011 -7.317 -4.413 1.00 0.00 C ATOM 506 CD2 TYR A 34 -2.434 -7.328 -6.208 1.00 0.00 C ATOM 507 CE1 TYR A 34 -3.222 -6.327 -3.726 1.00 0.00 C ATOM 508 CE2 TYR A 34 -1.645 -6.339 -5.522 1.00 0.00 C ATOM 509 CZ TYR A 34 -2.078 -5.887 -4.315 1.00 0.00 C ATOM 510 OH TYR A 34 -1.332 -4.952 -3.668 1.00 0.00 O ATOM 0 H TYR A 34 -2.367 -9.890 -5.884 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.883 -10.216 -4.711 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -4.072 -8.948 -7.389 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -5.470 -8.497 -6.433 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.924 -7.684 -3.968 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.113 -7.703 -7.168 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -3.532 -5.943 -2.765 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -0.730 -5.964 -5.956 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.923 -4.347 -3.173 1.00 0.00 H new ATOM 520 N LYS A 35 -4.576 -11.666 -7.629 1.00 0.00 N ATOM 521 CA LYS A 35 -5.207 -12.603 -8.541 1.00 0.00 C ATOM 522 C LYS A 35 -5.672 -13.834 -7.759 1.00 0.00 C ATOM 523 O LYS A 35 -6.729 -14.393 -8.047 1.00 0.00 O ATOM 524 CB LYS A 35 -4.270 -12.933 -9.704 1.00 0.00 C ATOM 525 CG LYS A 35 -2.863 -13.258 -9.200 1.00 0.00 C ATOM 526 CD LYS A 35 -2.265 -14.442 -9.964 1.00 0.00 C ATOM 527 CE LYS A 35 -0.783 -14.211 -10.261 1.00 0.00 C ATOM 528 NZ LYS A 35 0.060 -14.972 -9.312 1.00 0.00 N ATOM 0 H LYS A 35 -3.621 -11.407 -7.877 1.00 0.00 H new ATOM 0 HA LYS A 35 -6.093 -12.157 -8.992 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.664 -13.781 -10.264 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.228 -12.089 -10.392 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.221 -12.385 -9.316 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.899 -13.489 -8.135 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.384 -15.354 -9.379 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.808 -14.588 -10.898 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.559 -14.518 -11.283 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.553 -13.148 -10.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.064 -14.804 -9.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.142 -14.660 -8.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.148 -15.987 -9.400 1.00 0.00 H new ATOM 542 N LEU A 36 -4.860 -14.218 -6.785 1.00 0.00 N ATOM 543 CA LEU A 36 -5.175 -15.372 -5.960 1.00 0.00 C ATOM 544 C LEU A 36 -6.237 -14.981 -4.930 1.00 0.00 C ATOM 545 O LEU A 36 -7.313 -15.577 -4.885 1.00 0.00 O ATOM 546 CB LEU A 36 -3.902 -15.952 -5.340 1.00 0.00 C ATOM 547 CG LEU A 36 -2.923 -16.610 -6.315 1.00 0.00 C ATOM 548 CD1 LEU A 36 -1.650 -17.058 -5.593 1.00 0.00 C ATOM 549 CD2 LEU A 36 -3.590 -17.762 -7.068 1.00 0.00 C ATOM 0 H LEU A 36 -3.985 -13.751 -6.549 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.598 -16.171 -6.569 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.380 -15.152 -4.815 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.190 -16.690 -4.591 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.629 -15.868 -7.057 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.971 -17.522 -6.308 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.165 -16.193 -5.140 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.907 -17.778 -4.816 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.872 -18.212 -7.754 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.931 -18.513 -6.356 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.442 -17.383 -7.632 1.00 0.00 H new ATOM 561 N ILE A 37 -5.899 -13.983 -4.127 1.00 0.00 N ATOM 562 CA ILE A 37 -6.810 -13.506 -3.100 1.00 0.00 C ATOM 563 C ILE A 37 -8.166 -13.191 -3.735 1.00 0.00 C ATOM 564 O ILE A 37 -9.184 -13.154 -3.045 1.00 0.00 O ATOM 565 CB ILE A 37 -6.196 -12.326 -2.345 1.00 0.00 C ATOM 566 CG1 ILE A 37 -4.935 -12.754 -1.590 1.00 0.00 C ATOM 567 CG2 ILE A 37 -7.224 -11.673 -1.419 1.00 0.00 C ATOM 568 CD1 ILE A 37 -3.825 -11.711 -1.739 1.00 0.00 C ATOM 0 H ILE A 37 -5.006 -13.491 -4.167 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.979 -14.280 -2.351 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.895 -11.574 -3.074 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.169 -12.893 -0.534 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.589 -13.715 -1.969 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.762 -10.837 -0.894 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -8.066 -11.310 -2.008 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -7.578 -12.406 -0.694 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.941 -12.040 -1.193 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.577 -11.592 -2.794 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.166 -10.757 -1.337 1.00 0.00 H new ATOM 580 N ARG A 38 -8.136 -12.972 -5.040 1.00 0.00 N ATOM 581 CA ARG A 38 -9.351 -12.661 -5.775 1.00 0.00 C ATOM 582 C ARG A 38 -10.220 -13.912 -5.917 1.00 0.00 C ATOM 583 O ARG A 38 -11.313 -13.980 -5.356 1.00 0.00 O ATOM 584 CB ARG A 38 -9.028 -12.113 -7.167 1.00 0.00 C ATOM 585 CG ARG A 38 -10.306 -11.753 -7.925 1.00 0.00 C ATOM 586 CD ARG A 38 -10.947 -10.487 -7.352 1.00 0.00 C ATOM 587 NE ARG A 38 -10.251 -9.289 -7.872 1.00 0.00 N ATOM 588 CZ ARG A 38 -9.212 -8.700 -7.263 1.00 0.00 C ATOM 589 NH1 ARG A 38 -8.742 -9.195 -6.110 1.00 0.00 N ATOM 590 NH2 ARG A 38 -8.643 -7.615 -7.808 1.00 0.00 N ATOM 0 H ARG A 38 -7.290 -13.003 -5.609 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.892 -11.900 -5.213 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.394 -11.231 -7.076 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.463 -12.855 -7.732 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.077 -11.603 -8.980 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.013 -12.581 -7.867 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -12.003 -10.450 -7.621 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.896 -10.504 -6.263 1.00 0.00 H new ATOM 0 HE ARG A 38 -10.582 -8.886 -8.749 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -9.175 -10.020 -5.695 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.951 -8.747 -5.647 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -9.001 -7.238 -8.686 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.853 -7.167 -7.345 1.00 0.00 H new ATOM 604 N ASP A 39 -9.702 -14.871 -6.672 1.00 0.00 N ATOM 605 CA ASP A 39 -10.417 -16.116 -6.894 1.00 0.00 C ATOM 606 C ASP A 39 -10.534 -16.876 -5.571 1.00 0.00 C ATOM 607 O ASP A 39 -11.416 -17.719 -5.411 1.00 0.00 O ATOM 608 CB ASP A 39 -9.672 -17.009 -7.887 1.00 0.00 C ATOM 609 CG ASP A 39 -10.500 -18.155 -8.475 1.00 0.00 C ATOM 610 OD1 ASP A 39 -11.739 -17.994 -8.520 1.00 0.00 O ATOM 611 OD2 ASP A 39 -9.875 -19.165 -8.863 1.00 0.00 O ATOM 0 H ASP A 39 -8.796 -14.810 -7.137 1.00 0.00 H new ATOM 0 HA ASP A 39 -11.401 -15.872 -7.295 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -9.305 -16.389 -8.705 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.799 -17.430 -7.389 1.00 0.00 H new ATOM 616 N SER A 40 -9.634 -16.549 -4.656 1.00 0.00 N ATOM 617 CA SER A 40 -9.625 -17.190 -3.352 1.00 0.00 C ATOM 618 C SER A 40 -9.813 -16.143 -2.253 1.00 0.00 C ATOM 619 O SER A 40 -8.846 -15.538 -1.794 1.00 0.00 O ATOM 620 CB SER A 40 -8.326 -17.966 -3.128 1.00 0.00 C ATOM 621 OG SER A 40 -8.289 -18.590 -1.847 1.00 0.00 O ATOM 0 H SER A 40 -8.905 -15.848 -4.792 1.00 0.00 H new ATOM 0 HA SER A 40 -10.451 -17.900 -3.315 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.219 -18.724 -3.904 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.478 -17.288 -3.225 1.00 0.00 H new ATOM 0 HG SER A 40 -7.525 -19.202 -1.803 1.00 0.00 H new ATOM 627 N PRO A 41 -11.099 -15.955 -1.851 1.00 0.00 N ATOM 628 CA PRO A 41 -11.427 -14.992 -0.815 1.00 0.00 C ATOM 629 C PRO A 41 -11.035 -15.519 0.567 1.00 0.00 C ATOM 630 O PRO A 41 -10.914 -14.748 1.518 1.00 0.00 O ATOM 631 CB PRO A 41 -12.921 -14.753 -0.957 1.00 0.00 C ATOM 632 CG PRO A 41 -13.457 -15.929 -1.756 1.00 0.00 C ATOM 633 CD PRO A 41 -12.271 -16.654 -2.372 1.00 0.00 C ATOM 0 HA PRO A 41 -10.876 -14.057 -0.921 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -13.401 -14.693 0.020 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -13.119 -13.811 -1.468 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -14.023 -16.602 -1.112 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -14.139 -15.583 -2.533 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -12.261 -17.707 -2.091 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -12.304 -16.614 -3.461 1.00 0.00 H new ATOM 641 N ASP A 42 -10.849 -16.830 0.634 1.00 0.00 N ATOM 642 CA ASP A 42 -10.475 -17.468 1.884 1.00 0.00 C ATOM 643 C ASP A 42 -8.988 -17.828 1.843 1.00 0.00 C ATOM 644 O ASP A 42 -8.617 -18.977 2.078 1.00 0.00 O ATOM 645 CB ASP A 42 -11.266 -18.759 2.103 1.00 0.00 C ATOM 646 CG ASP A 42 -11.164 -19.351 3.510 1.00 0.00 C ATOM 647 OD1 ASP A 42 -11.783 -18.760 4.421 1.00 0.00 O ATOM 648 OD2 ASP A 42 -10.468 -20.380 3.643 1.00 0.00 O ATOM 0 H ASP A 42 -10.950 -17.466 -0.157 1.00 0.00 H new ATOM 0 HA ASP A 42 -10.690 -16.771 2.694 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -12.316 -18.566 1.882 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -10.921 -19.504 1.386 1.00 0.00 H new ATOM 653 N ALA A 43 -8.177 -16.824 1.541 1.00 0.00 N ATOM 654 CA ALA A 43 -6.740 -17.019 1.465 1.00 0.00 C ATOM 655 C ALA A 43 -6.047 -16.069 2.443 1.00 0.00 C ATOM 656 O ALA A 43 -5.204 -16.491 3.233 1.00 0.00 O ATOM 657 CB ALA A 43 -6.272 -16.816 0.023 1.00 0.00 C ATOM 0 H ALA A 43 -8.489 -15.873 1.346 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.476 -18.037 1.753 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.193 -16.962 -0.033 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.770 -17.536 -0.626 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.518 -15.805 -0.300 1.00 0.00 H new ATOM 663 N VAL A 44 -6.429 -14.803 2.359 1.00 0.00 N ATOM 664 CA VAL A 44 -5.855 -13.789 3.226 1.00 0.00 C ATOM 665 C VAL A 44 -6.938 -12.775 3.603 1.00 0.00 C ATOM 666 O VAL A 44 -7.798 -12.449 2.788 1.00 0.00 O ATOM 667 CB VAL A 44 -4.643 -13.145 2.549 1.00 0.00 C ATOM 668 CG1 VAL A 44 -4.227 -11.864 3.274 1.00 0.00 C ATOM 669 CG2 VAL A 44 -3.476 -14.130 2.464 1.00 0.00 C ATOM 0 H VAL A 44 -7.129 -14.457 1.703 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.493 -14.238 4.151 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.930 -12.876 1.532 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.364 -11.426 2.773 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.053 -11.153 3.260 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.967 -12.098 4.306 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.627 -13.648 1.979 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.190 -14.443 3.468 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.778 -15.002 1.884 1.00 0.00 H new ATOM 679 N GLU A 45 -6.859 -12.306 4.840 1.00 0.00 N ATOM 680 CA GLU A 45 -7.821 -11.336 5.335 1.00 0.00 C ATOM 681 C GLU A 45 -7.205 -9.935 5.347 1.00 0.00 C ATOM 682 O GLU A 45 -6.078 -9.753 5.804 1.00 0.00 O ATOM 683 CB GLU A 45 -8.325 -11.725 6.727 1.00 0.00 C ATOM 684 CG GLU A 45 -9.034 -10.549 7.401 1.00 0.00 C ATOM 685 CD GLU A 45 -8.264 -10.083 8.639 1.00 0.00 C ATOM 686 OE1 GLU A 45 -8.335 -10.805 9.657 1.00 0.00 O ATOM 687 OE2 GLU A 45 -7.623 -9.015 8.540 1.00 0.00 O ATOM 0 H GLU A 45 -6.144 -12.580 5.514 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.679 -11.329 4.662 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.009 -12.570 6.647 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.487 -12.051 7.343 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.129 -9.724 6.695 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.044 -10.843 7.686 1.00 0.00 H new ATOM 694 N VAL A 46 -7.972 -8.982 4.840 1.00 0.00 N ATOM 695 CA VAL A 46 -7.515 -7.604 4.785 1.00 0.00 C ATOM 696 C VAL A 46 -8.456 -6.727 5.615 1.00 0.00 C ATOM 697 O VAL A 46 -9.669 -6.745 5.410 1.00 0.00 O ATOM 698 CB VAL A 46 -7.400 -7.146 3.330 1.00 0.00 C ATOM 699 CG1 VAL A 46 -7.133 -5.642 3.247 1.00 0.00 C ATOM 700 CG2 VAL A 46 -6.318 -7.938 2.592 1.00 0.00 C ATOM 0 H VAL A 46 -8.907 -9.137 4.463 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.519 -7.515 5.218 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.353 -7.343 2.840 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.056 -5.343 2.202 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.952 -5.100 3.719 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.200 -5.409 3.761 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.256 -7.594 1.560 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.357 -7.787 3.084 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.570 -8.998 2.606 1.00 0.00 H new ATOM 710 N THR A 47 -7.862 -5.981 6.533 1.00 0.00 N ATOM 711 CA THR A 47 -8.632 -5.098 7.394 1.00 0.00 C ATOM 712 C THR A 47 -7.885 -3.780 7.612 1.00 0.00 C ATOM 713 O THR A 47 -6.735 -3.639 7.200 1.00 0.00 O ATOM 714 CB THR A 47 -8.932 -5.848 8.693 1.00 0.00 C ATOM 715 OG1 THR A 47 -7.728 -6.561 8.968 1.00 0.00 O ATOM 716 CG2 THR A 47 -9.980 -6.947 8.507 1.00 0.00 C ATOM 0 H THR A 47 -6.856 -5.969 6.700 1.00 0.00 H new ATOM 0 HA THR A 47 -9.581 -4.825 6.933 1.00 0.00 H new ATOM 0 HB THR A 47 -9.277 -5.141 9.448 1.00 0.00 H new ATOM 0 HG1 THR A 47 -7.782 -7.457 8.575 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.155 -7.448 9.459 1.00 0.00 H new ATOM 0 HG22 THR A 47 -10.911 -6.505 8.152 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.621 -7.672 7.777 1.00 0.00 H new ATOM 724 N GLY A 48 -8.571 -2.849 8.258 1.00 0.00 N ATOM 725 CA GLY A 48 -7.988 -1.548 8.536 1.00 0.00 C ATOM 726 C GLY A 48 -8.246 -0.575 7.384 1.00 0.00 C ATOM 727 O GLY A 48 -8.255 0.639 7.582 1.00 0.00 O ATOM 0 H GLY A 48 -9.525 -2.970 8.597 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.409 -1.146 9.458 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -6.915 -1.653 8.695 1.00 0.00 H new ATOM 731 N LEU A 49 -8.450 -1.144 6.205 1.00 0.00 N ATOM 732 CA LEU A 49 -8.707 -0.342 5.021 1.00 0.00 C ATOM 733 C LEU A 49 -9.686 0.779 5.373 1.00 0.00 C ATOM 734 O LEU A 49 -10.343 0.732 6.412 1.00 0.00 O ATOM 735 CB LEU A 49 -9.176 -1.228 3.865 1.00 0.00 C ATOM 736 CG LEU A 49 -8.074 -1.843 3.002 1.00 0.00 C ATOM 737 CD1 LEU A 49 -8.664 -2.771 1.938 1.00 0.00 C ATOM 738 CD2 LEU A 49 -7.187 -0.757 2.387 1.00 0.00 C ATOM 0 H LEU A 49 -8.443 -2.151 6.044 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.789 0.133 4.676 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.782 -2.036 4.275 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.827 -0.637 3.221 1.00 0.00 H new ATOM 0 HG LEU A 49 -7.438 -2.452 3.644 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.859 -3.195 1.338 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -9.217 -3.575 2.423 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.337 -2.205 1.294 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.412 -1.222 1.778 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.794 -0.102 1.763 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.723 -0.173 3.182 1.00 0.00 H new ATOM 750 N PRO A 50 -9.756 1.788 4.464 1.00 0.00 N ATOM 751 CA PRO A 50 -10.645 2.920 4.668 1.00 0.00 C ATOM 752 C PRO A 50 -12.100 2.530 4.399 1.00 0.00 C ATOM 753 O PRO A 50 -12.375 1.423 3.936 1.00 0.00 O ATOM 754 CB PRO A 50 -10.135 3.996 3.724 1.00 0.00 C ATOM 755 CG PRO A 50 -9.275 3.276 2.697 1.00 0.00 C ATOM 756 CD PRO A 50 -8.995 1.878 3.221 1.00 0.00 C ATOM 0 HA PRO A 50 -10.641 3.278 5.698 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.962 4.518 3.243 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -9.555 4.745 4.263 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.788 3.228 1.736 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.342 3.816 2.534 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -9.311 1.117 2.507 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.930 1.727 3.397 1.00 0.00 H new ATOM 764 N ASP A 51 -12.994 3.460 4.701 1.00 0.00 N ATOM 765 CA ASP A 51 -14.414 3.227 4.498 1.00 0.00 C ATOM 766 C ASP A 51 -14.782 3.577 3.054 1.00 0.00 C ATOM 767 O ASP A 51 -14.282 4.556 2.502 1.00 0.00 O ATOM 768 CB ASP A 51 -15.254 4.106 5.426 1.00 0.00 C ATOM 769 CG ASP A 51 -14.853 5.582 5.458 1.00 0.00 C ATOM 770 OD1 ASP A 51 -13.668 5.841 5.759 1.00 0.00 O ATOM 771 OD2 ASP A 51 -15.740 6.418 5.183 1.00 0.00 O ATOM 0 H ASP A 51 -12.763 4.376 5.085 1.00 0.00 H new ATOM 0 HA ASP A 51 -14.618 2.178 4.712 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -16.298 4.035 5.121 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -15.189 3.706 6.438 1.00 0.00 H new ATOM 776 N ASP A 52 -15.654 2.759 2.484 1.00 0.00 N ATOM 777 CA ASP A 52 -16.094 2.969 1.116 1.00 0.00 C ATOM 778 C ASP A 52 -14.935 2.679 0.161 1.00 0.00 C ATOM 779 O ASP A 52 -14.854 3.264 -0.918 1.00 0.00 O ATOM 780 CB ASP A 52 -16.537 4.417 0.897 1.00 0.00 C ATOM 781 CG ASP A 52 -17.830 4.584 0.097 1.00 0.00 C ATOM 782 OD1 ASP A 52 -18.033 3.772 -0.831 1.00 0.00 O ATOM 783 OD2 ASP A 52 -18.588 5.520 0.432 1.00 0.00 O ATOM 0 H ASP A 52 -16.068 1.949 2.945 1.00 0.00 H new ATOM 0 HA ASP A 52 -16.935 2.302 0.926 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -16.665 4.893 1.869 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.738 4.952 0.383 1.00 0.00 H new ATOM 788 N ILE A 53 -14.067 1.776 0.592 1.00 0.00 N ATOM 789 CA ILE A 53 -12.915 1.401 -0.211 1.00 0.00 C ATOM 790 C ILE A 53 -12.646 -0.096 -0.041 1.00 0.00 C ATOM 791 O ILE A 53 -12.355 -0.555 1.062 1.00 0.00 O ATOM 792 CB ILE A 53 -11.714 2.285 0.129 1.00 0.00 C ATOM 793 CG1 ILE A 53 -11.960 3.733 -0.300 1.00 0.00 C ATOM 794 CG2 ILE A 53 -10.428 1.718 -0.475 1.00 0.00 C ATOM 795 CD1 ILE A 53 -10.771 4.623 0.068 1.00 0.00 C ATOM 0 H ILE A 53 -14.138 1.293 1.487 1.00 0.00 H new ATOM 0 HA ILE A 53 -13.116 1.571 -1.269 1.00 0.00 H new ATOM 0 HB ILE A 53 -11.587 2.288 1.212 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -12.130 3.773 -1.376 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -12.863 4.110 0.180 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -9.589 2.365 -0.218 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -10.250 0.719 -0.078 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -10.527 1.666 -1.559 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -10.971 5.647 -0.248 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -10.619 4.599 1.147 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -9.874 4.258 -0.433 1.00 0.00 H new ATOM 807 N PRO A 54 -12.755 -0.832 -1.178 1.00 0.00 N ATOM 808 CA PRO A 54 -12.526 -2.267 -1.166 1.00 0.00 C ATOM 809 C PRO A 54 -11.033 -2.583 -1.063 1.00 0.00 C ATOM 810 O PRO A 54 -10.237 -1.724 -0.686 1.00 0.00 O ATOM 811 CB PRO A 54 -13.154 -2.776 -2.453 1.00 0.00 C ATOM 812 CG PRO A 54 -13.300 -1.562 -3.355 1.00 0.00 C ATOM 813 CD PRO A 54 -13.098 -0.320 -2.503 1.00 0.00 C ATOM 0 HA PRO A 54 -12.971 -2.757 -0.300 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -12.527 -3.536 -2.919 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.122 -3.237 -2.259 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -12.567 -1.595 -4.161 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -14.285 -1.549 -3.821 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.303 0.309 -2.903 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -14.001 0.289 -2.471 1.00 0.00 H new ATOM 821 N PHE A 55 -10.697 -3.818 -1.408 1.00 0.00 N ATOM 822 CA PHE A 55 -9.313 -4.258 -1.358 1.00 0.00 C ATOM 823 C PHE A 55 -8.906 -4.933 -2.671 1.00 0.00 C ATOM 824 O PHE A 55 -9.077 -6.140 -2.830 1.00 0.00 O ATOM 825 CB PHE A 55 -9.207 -5.275 -0.220 1.00 0.00 C ATOM 826 CG PHE A 55 -7.947 -6.140 -0.276 1.00 0.00 C ATOM 827 CD1 PHE A 55 -6.739 -5.605 0.049 1.00 0.00 C ATOM 828 CD2 PHE A 55 -8.033 -7.445 -0.648 1.00 0.00 C ATOM 829 CE1 PHE A 55 -5.570 -6.408 -0.001 1.00 0.00 C ATOM 830 CE2 PHE A 55 -6.863 -8.248 -0.699 1.00 0.00 C ATOM 831 CZ PHE A 55 -5.657 -7.713 -0.374 1.00 0.00 C ATOM 0 H PHE A 55 -11.359 -4.527 -1.723 1.00 0.00 H new ATOM 0 HA PHE A 55 -8.655 -3.403 -1.200 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.229 -4.744 0.732 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -10.082 -5.924 -0.243 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.670 -4.569 0.345 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -8.992 -7.871 -0.905 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.611 -5.983 0.257 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.932 -9.284 -0.996 1.00 0.00 H new ATOM 0 HZ PHE A 55 -4.767 -8.324 -0.412 1.00 0.00 H new ATOM 841 N ARG A 56 -8.375 -4.124 -3.575 1.00 0.00 N ATOM 842 CA ARG A 56 -7.943 -4.628 -4.868 1.00 0.00 C ATOM 843 C ARG A 56 -6.635 -3.955 -5.289 1.00 0.00 C ATOM 844 O ARG A 56 -6.181 -3.013 -4.642 1.00 0.00 O ATOM 845 CB ARG A 56 -9.006 -4.380 -5.940 1.00 0.00 C ATOM 846 CG ARG A 56 -10.371 -4.905 -5.490 1.00 0.00 C ATOM 847 CD ARG A 56 -11.031 -5.730 -6.596 1.00 0.00 C ATOM 848 NE ARG A 56 -12.499 -5.749 -6.407 1.00 0.00 N ATOM 849 CZ ARG A 56 -13.368 -6.208 -7.317 1.00 0.00 C ATOM 850 NH1 ARG A 56 -12.923 -6.689 -8.486 1.00 0.00 N ATOM 851 NH2 ARG A 56 -14.683 -6.185 -7.059 1.00 0.00 N ATOM 0 H ARG A 56 -8.234 -3.123 -3.438 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.788 -5.702 -4.770 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.074 -3.313 -6.150 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.712 -4.869 -6.869 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.253 -5.517 -4.596 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.016 -4.069 -5.221 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -10.787 -5.307 -7.571 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -10.641 -6.748 -6.583 1.00 0.00 H new ATOM 0 HE ARG A 56 -12.872 -5.390 -5.528 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -11.922 -6.706 -8.683 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -13.585 -7.039 -9.179 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -15.022 -5.818 -6.170 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -15.345 -6.535 -7.752 1.00 0.00 H new ATOM 865 N ASN A 57 -6.067 -4.464 -6.372 1.00 0.00 N ATOM 866 CA ASN A 57 -4.821 -3.923 -6.888 1.00 0.00 C ATOM 867 C ASN A 57 -4.838 -2.399 -6.757 1.00 0.00 C ATOM 868 O ASN A 57 -5.851 -1.760 -7.038 1.00 0.00 O ATOM 869 CB ASN A 57 -4.641 -4.268 -8.368 1.00 0.00 C ATOM 870 CG ASN A 57 -3.414 -5.159 -8.577 1.00 0.00 C ATOM 871 OD1 ASN A 57 -2.280 -4.751 -8.390 1.00 0.00 O ATOM 872 ND2 ASN A 57 -3.704 -6.394 -8.977 1.00 0.00 N ATOM 0 H ASN A 57 -6.447 -5.245 -6.907 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.002 -4.357 -6.314 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.531 -4.776 -8.738 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.533 -3.352 -8.948 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.954 -7.065 -9.146 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -4.676 -6.670 -9.114 1.00 0.00 H new ATOM 879 N PRO A 58 -3.676 -1.846 -6.320 1.00 0.00 N ATOM 880 CA PRO A 58 -3.547 -0.409 -6.149 1.00 0.00 C ATOM 881 C PRO A 58 -3.414 0.295 -7.501 1.00 0.00 C ATOM 882 O PRO A 58 -3.272 1.516 -7.558 1.00 0.00 O ATOM 883 CB PRO A 58 -2.327 -0.226 -5.261 1.00 0.00 C ATOM 884 CG PRO A 58 -1.548 -1.528 -5.349 1.00 0.00 C ATOM 885 CD PRO A 58 -2.455 -2.572 -5.979 1.00 0.00 C ATOM 0 HA PRO A 58 -4.428 0.040 -5.690 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.721 0.615 -5.598 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -2.621 -0.015 -4.233 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -0.647 -1.394 -5.948 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -1.228 -1.849 -4.358 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -1.996 -3.013 -6.864 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -2.660 -3.388 -5.286 1.00 0.00 H new ATOM 893 N ASN A 59 -3.465 -0.505 -8.556 1.00 0.00 N ATOM 894 CA ASN A 59 -3.351 0.026 -9.904 1.00 0.00 C ATOM 895 C ASN A 59 -4.751 0.211 -10.494 1.00 0.00 C ATOM 896 O ASN A 59 -5.064 -0.345 -11.545 1.00 0.00 O ATOM 897 CB ASN A 59 -2.579 -0.935 -10.811 1.00 0.00 C ATOM 898 CG ASN A 59 -3.205 -2.330 -10.791 1.00 0.00 C ATOM 899 OD1 ASN A 59 -4.405 -2.502 -10.925 1.00 0.00 O ATOM 900 ND2 ASN A 59 -2.328 -3.315 -10.617 1.00 0.00 N ATOM 0 H ASN A 59 -3.584 -1.517 -8.505 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.819 0.976 -9.849 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.571 -0.551 -11.831 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.541 -0.994 -10.485 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.647 -4.283 -10.590 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.336 -3.102 -10.511 1.00 0.00 H new ATOM 907 N THR A 60 -5.555 0.995 -9.791 1.00 0.00 N ATOM 908 CA THR A 60 -6.914 1.260 -10.232 1.00 0.00 C ATOM 909 C THR A 60 -7.543 2.368 -9.384 1.00 0.00 C ATOM 910 O THR A 60 -8.255 3.224 -9.905 1.00 0.00 O ATOM 911 CB THR A 60 -7.692 -0.056 -10.185 1.00 0.00 C ATOM 912 OG1 THR A 60 -9.025 0.339 -9.874 1.00 0.00 O ATOM 913 CG2 THR A 60 -7.280 -0.938 -9.006 1.00 0.00 C ATOM 0 H THR A 60 -5.292 1.455 -8.920 1.00 0.00 H new ATOM 0 HA THR A 60 -6.932 1.628 -11.258 1.00 0.00 H new ATOM 0 HB THR A 60 -7.539 -0.601 -11.117 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.598 -0.454 -9.826 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.863 -1.859 -9.020 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.220 -1.178 -9.084 1.00 0.00 H new ATOM 0 HG23 THR A 60 -7.464 -0.406 -8.072 1.00 0.00 H new ATOM 921 N TYR A 61 -7.257 2.315 -8.092 1.00 0.00 N ATOM 922 CA TYR A 61 -7.785 3.303 -7.167 1.00 0.00 C ATOM 923 C TYR A 61 -7.652 4.716 -7.739 1.00 0.00 C ATOM 924 O TYR A 61 -6.957 4.924 -8.732 1.00 0.00 O ATOM 925 CB TYR A 61 -6.932 3.195 -5.902 1.00 0.00 C ATOM 926 CG TYR A 61 -7.148 1.902 -5.113 1.00 0.00 C ATOM 927 CD1 TYR A 61 -8.430 1.456 -4.859 1.00 0.00 C ATOM 928 CD2 TYR A 61 -6.064 1.182 -4.656 1.00 0.00 C ATOM 929 CE1 TYR A 61 -8.634 0.239 -4.117 1.00 0.00 C ATOM 930 CE2 TYR A 61 -6.268 -0.035 -3.914 1.00 0.00 C ATOM 931 CZ TYR A 61 -7.543 -0.446 -3.681 1.00 0.00 C ATOM 932 OH TYR A 61 -7.735 -1.596 -2.980 1.00 0.00 O ATOM 0 H TYR A 61 -6.666 1.603 -7.663 1.00 0.00 H new ATOM 0 HA TYR A 61 -8.842 3.122 -6.975 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.880 3.268 -6.178 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -7.151 4.044 -5.255 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -9.279 2.020 -5.217 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -5.062 1.531 -4.855 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -9.631 -0.122 -3.911 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -5.428 -0.608 -3.551 1.00 0.00 H new ATOM 0 HH TYR A 61 -6.969 -2.192 -3.113 1.00 0.00 H new ATOM 942 N ASP A 62 -8.328 5.650 -7.087 1.00 0.00 N ATOM 943 CA ASP A 62 -8.294 7.037 -7.518 1.00 0.00 C ATOM 944 C ASP A 62 -7.482 7.859 -6.514 1.00 0.00 C ATOM 945 O ASP A 62 -7.175 7.383 -5.422 1.00 0.00 O ATOM 946 CB ASP A 62 -9.703 7.629 -7.583 1.00 0.00 C ATOM 947 CG ASP A 62 -10.764 6.707 -8.189 1.00 0.00 C ATOM 948 OD1 ASP A 62 -10.371 5.861 -9.022 1.00 0.00 O ATOM 949 OD2 ASP A 62 -11.942 6.869 -7.807 1.00 0.00 O ATOM 0 H ASP A 62 -8.903 5.473 -6.263 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.843 7.070 -8.510 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.013 7.902 -6.574 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.668 8.550 -8.165 1.00 0.00 H new ATOM 954 N ILE A 63 -7.158 9.078 -6.920 1.00 0.00 N ATOM 955 CA ILE A 63 -6.389 9.970 -6.070 1.00 0.00 C ATOM 956 C ILE A 63 -6.917 9.883 -4.637 1.00 0.00 C ATOM 957 O ILE A 63 -6.145 9.961 -3.682 1.00 0.00 O ATOM 958 CB ILE A 63 -6.391 11.389 -6.642 1.00 0.00 C ATOM 959 CG1 ILE A 63 -5.022 12.051 -6.472 1.00 0.00 C ATOM 960 CG2 ILE A 63 -7.514 12.226 -6.025 1.00 0.00 C ATOM 961 CD1 ILE A 63 -5.146 13.576 -6.476 1.00 0.00 C ATOM 0 H ILE A 63 -7.414 9.469 -7.827 1.00 0.00 H new ATOM 0 HA ILE A 63 -5.343 9.664 -6.043 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.587 11.326 -7.712 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.569 11.722 -5.537 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.359 11.734 -7.277 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.494 13.230 -6.448 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -8.476 11.760 -6.241 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -7.373 12.284 -4.946 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.159 14.022 -6.354 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.577 13.903 -7.422 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.790 13.891 -5.655 1.00 0.00 H new ATOM 973 N HIS A 64 -8.228 9.723 -4.531 1.00 0.00 N ATOM 974 CA HIS A 64 -8.868 9.624 -3.231 1.00 0.00 C ATOM 975 C HIS A 64 -8.443 8.324 -2.547 1.00 0.00 C ATOM 976 O HIS A 64 -7.662 8.344 -1.597 1.00 0.00 O ATOM 977 CB HIS A 64 -10.386 9.757 -3.362 1.00 0.00 C ATOM 978 CG HIS A 64 -10.831 10.976 -4.134 1.00 0.00 C ATOM 979 ND1 HIS A 64 -11.601 10.895 -5.282 1.00 0.00 N ATOM 980 CD2 HIS A 64 -10.609 12.303 -3.913 1.00 0.00 C ATOM 981 CE1 HIS A 64 -11.824 12.124 -5.723 1.00 0.00 C ATOM 982 NE2 HIS A 64 -11.209 12.995 -4.874 1.00 0.00 N ATOM 0 H HIS A 64 -8.865 9.659 -5.325 1.00 0.00 H new ATOM 0 HA HIS A 64 -8.543 10.449 -2.598 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -10.778 8.866 -3.853 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -10.825 9.791 -2.365 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -10.041 12.720 -3.095 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -12.393 12.389 -6.601 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -11.210 14.011 -4.962 1.00 0.00 H new ATOM 990 N ARG A 65 -8.976 7.223 -3.057 1.00 0.00 N ATOM 991 CA ARG A 65 -8.662 5.915 -2.508 1.00 0.00 C ATOM 992 C ARG A 65 -7.153 5.775 -2.300 1.00 0.00 C ATOM 993 O ARG A 65 -6.706 5.326 -1.245 1.00 0.00 O ATOM 994 CB ARG A 65 -9.148 4.797 -3.433 1.00 0.00 C ATOM 995 CG ARG A 65 -10.676 4.783 -3.518 1.00 0.00 C ATOM 996 CD ARG A 65 -11.187 3.415 -3.974 1.00 0.00 C ATOM 997 NE ARG A 65 -11.353 3.400 -5.444 1.00 0.00 N ATOM 998 CZ ARG A 65 -11.502 2.286 -6.173 1.00 0.00 C ATOM 999 NH1 ARG A 65 -11.509 1.088 -5.570 1.00 0.00 N ATOM 1000 NH2 ARG A 65 -11.647 2.368 -7.501 1.00 0.00 N ATOM 0 H ARG A 65 -9.624 7.210 -3.845 1.00 0.00 H new ATOM 0 HA ARG A 65 -9.174 5.827 -1.550 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -8.726 4.934 -4.429 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -8.792 3.835 -3.065 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -11.100 5.028 -2.544 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -11.012 5.551 -4.214 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -10.487 2.637 -3.671 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -12.138 3.193 -3.490 1.00 0.00 H new ATOM 0 HE ARG A 65 -11.354 4.295 -5.934 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -11.401 1.026 -4.558 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -11.622 0.239 -6.124 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -11.644 3.279 -7.959 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -11.760 1.519 -8.055 1.00 0.00 H new ATOM 1014 N LEU A 66 -6.408 6.168 -3.323 1.00 0.00 N ATOM 1015 CA LEU A 66 -4.957 6.091 -3.266 1.00 0.00 C ATOM 1016 C LEU A 66 -4.461 6.822 -2.017 1.00 0.00 C ATOM 1017 O LEU A 66 -3.372 6.539 -1.519 1.00 0.00 O ATOM 1018 CB LEU A 66 -4.343 6.611 -4.568 1.00 0.00 C ATOM 1019 CG LEU A 66 -4.348 5.636 -5.748 1.00 0.00 C ATOM 1020 CD1 LEU A 66 -3.558 6.202 -6.929 1.00 0.00 C ATOM 1021 CD2 LEU A 66 -3.837 4.258 -5.324 1.00 0.00 C ATOM 0 H LEU A 66 -6.781 6.541 -4.196 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.632 5.054 -3.179 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.879 7.512 -4.865 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.312 6.904 -4.369 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.378 5.508 -6.081 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.577 5.490 -7.754 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.007 7.142 -7.250 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.526 6.378 -6.625 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.851 3.585 -6.181 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.817 4.347 -4.950 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.478 3.858 -4.538 1.00 0.00 H new ATOM 1033 N GLU A 67 -5.284 7.748 -1.546 1.00 0.00 N ATOM 1034 CA GLU A 67 -4.941 8.521 -0.364 1.00 0.00 C ATOM 1035 C GLU A 67 -5.542 7.873 0.885 1.00 0.00 C ATOM 1036 O GLU A 67 -4.866 7.737 1.904 1.00 0.00 O ATOM 1037 CB GLU A 67 -5.404 9.973 -0.506 1.00 0.00 C ATOM 1038 CG GLU A 67 -4.446 10.769 -1.394 1.00 0.00 C ATOM 1039 CD GLU A 67 -3.816 11.927 -0.619 1.00 0.00 C ATOM 1040 OE1 GLU A 67 -4.487 12.977 -0.521 1.00 0.00 O ATOM 1041 OE2 GLU A 67 -2.676 11.737 -0.140 1.00 0.00 O ATOM 0 H GLU A 67 -6.186 7.980 -1.961 1.00 0.00 H new ATOM 0 HA GLU A 67 -3.856 8.529 -0.259 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.407 9.999 -0.932 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.464 10.437 0.478 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.663 10.111 -1.772 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.983 11.156 -2.260 1.00 0.00 H new ATOM 1048 N LYS A 68 -6.805 7.493 0.766 1.00 0.00 N ATOM 1049 CA LYS A 68 -7.504 6.863 1.874 1.00 0.00 C ATOM 1050 C LYS A 68 -6.627 5.755 2.461 1.00 0.00 C ATOM 1051 O LYS A 68 -6.172 5.856 3.600 1.00 0.00 O ATOM 1052 CB LYS A 68 -8.887 6.381 1.431 1.00 0.00 C ATOM 1053 CG LYS A 68 -9.915 7.512 1.520 1.00 0.00 C ATOM 1054 CD LYS A 68 -9.350 8.813 0.949 1.00 0.00 C ATOM 1055 CE LYS A 68 -10.281 9.991 1.242 1.00 0.00 C ATOM 1056 NZ LYS A 68 -9.693 11.254 0.744 1.00 0.00 N ATOM 0 H LYS A 68 -7.363 7.609 -0.080 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.683 7.585 2.671 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.836 6.010 0.407 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -9.203 5.547 2.057 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.816 7.233 0.974 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.206 7.663 2.560 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -8.367 9.006 1.379 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -9.213 8.712 -0.128 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.249 9.823 0.770 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -10.458 10.064 2.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -10.338 12.043 0.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.780 11.421 1.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -9.547 11.187 -0.284 1.00 0.00 H new ATOM 1070 N ILE A 69 -6.416 4.722 1.658 1.00 0.00 N ATOM 1071 CA ILE A 69 -5.600 3.598 2.083 1.00 0.00 C ATOM 1072 C ILE A 69 -4.342 4.119 2.778 1.00 0.00 C ATOM 1073 O ILE A 69 -4.115 3.837 3.954 1.00 0.00 O ATOM 1074 CB ILE A 69 -5.312 2.668 0.903 1.00 0.00 C ATOM 1075 CG1 ILE A 69 -6.581 1.938 0.456 1.00 0.00 C ATOM 1076 CG2 ILE A 69 -4.177 1.697 1.235 1.00 0.00 C ATOM 1077 CD1 ILE A 69 -6.818 2.119 -1.044 1.00 0.00 C ATOM 0 H ILE A 69 -6.796 4.640 0.715 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.138 2.992 2.812 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.979 3.276 0.062 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -6.495 0.877 0.689 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.438 2.318 1.012 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.992 1.047 0.380 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.272 2.260 1.465 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.457 1.091 2.097 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -7.726 1.590 -1.335 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.927 3.180 -1.270 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.970 1.716 -1.598 1.00 0.00 H new ATOM 1089 N LEU A 70 -3.556 4.872 2.022 1.00 0.00 N ATOM 1090 CA LEU A 70 -2.325 5.435 2.550 1.00 0.00 C ATOM 1091 C LEU A 70 -2.612 6.103 3.897 1.00 0.00 C ATOM 1092 O LEU A 70 -1.747 6.144 4.771 1.00 0.00 O ATOM 1093 CB LEU A 70 -1.681 6.370 1.525 1.00 0.00 C ATOM 1094 CG LEU A 70 -0.779 5.705 0.484 1.00 0.00 C ATOM 1095 CD1 LEU A 70 -0.481 6.660 -0.673 1.00 0.00 C ATOM 1096 CD2 LEU A 70 0.502 5.170 1.130 1.00 0.00 C ATOM 0 H LEU A 70 -3.748 5.105 1.048 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.593 4.648 2.733 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.474 6.904 1.001 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.095 7.116 2.061 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.311 4.850 0.067 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.162 6.163 -1.399 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.415 6.951 -1.154 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.022 7.548 -0.291 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.126 4.702 0.368 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.048 5.993 1.591 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.245 4.433 1.891 1.00 0.00 H new ATOM 1108 N LYS A 71 -3.830 6.608 4.023 1.00 0.00 N ATOM 1109 CA LYS A 71 -4.241 7.271 5.248 1.00 0.00 C ATOM 1110 C LYS A 71 -4.450 6.224 6.345 1.00 0.00 C ATOM 1111 O LYS A 71 -4.132 6.468 7.509 1.00 0.00 O ATOM 1112 CB LYS A 71 -5.469 8.149 4.997 1.00 0.00 C ATOM 1113 CG LYS A 71 -5.135 9.629 5.196 1.00 0.00 C ATOM 1114 CD LYS A 71 -6.407 10.480 5.213 1.00 0.00 C ATOM 1115 CE LYS A 71 -6.806 10.841 6.645 1.00 0.00 C ATOM 1116 NZ LYS A 71 -7.434 12.181 6.686 1.00 0.00 N ATOM 0 H LYS A 71 -4.545 6.571 3.297 1.00 0.00 H new ATOM 0 HA LYS A 71 -3.459 7.947 5.595 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.834 7.988 3.983 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.272 7.859 5.675 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.592 9.761 6.132 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.477 9.968 4.396 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.247 11.391 4.636 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.219 9.936 4.732 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -7.500 10.096 7.034 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.927 10.825 7.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.699 12.410 7.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.760 12.891 6.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.285 12.184 6.088 1.00 0.00 H new ATOM 1130 N ALA A 72 -4.981 5.083 5.936 1.00 0.00 N ATOM 1131 CA ALA A 72 -5.234 3.998 6.869 1.00 0.00 C ATOM 1132 C ALA A 72 -4.094 2.980 6.783 1.00 0.00 C ATOM 1133 O ALA A 72 -4.222 1.858 7.268 1.00 0.00 O ATOM 1134 CB ALA A 72 -6.597 3.373 6.568 1.00 0.00 C ATOM 0 H ALA A 72 -5.244 4.885 4.970 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.266 4.372 7.892 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.787 2.559 7.268 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.375 4.129 6.672 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.602 2.984 5.550 1.00 0.00 H new ATOM 1140 N ARG A 73 -3.007 3.409 6.161 1.00 0.00 N ATOM 1141 CA ARG A 73 -1.845 2.549 6.005 1.00 0.00 C ATOM 1142 C ARG A 73 -1.444 1.949 7.353 1.00 0.00 C ATOM 1143 O ARG A 73 -0.868 0.864 7.408 1.00 0.00 O ATOM 1144 CB ARG A 73 -0.660 3.324 5.426 1.00 0.00 C ATOM 1145 CG ARG A 73 -0.210 4.430 6.382 1.00 0.00 C ATOM 1146 CD ARG A 73 0.904 5.274 5.756 1.00 0.00 C ATOM 1147 NE ARG A 73 1.303 6.354 6.687 1.00 0.00 N ATOM 1148 CZ ARG A 73 2.236 7.276 6.412 1.00 0.00 C ATOM 1149 NH1 ARG A 73 2.871 7.255 5.232 1.00 0.00 N ATOM 1150 NH2 ARG A 73 2.533 8.219 7.316 1.00 0.00 N ATOM 0 H ARG A 73 -2.905 4.341 5.759 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.114 1.750 5.314 1.00 0.00 H new ATOM 0 HB2 ARG A 73 0.169 2.641 5.238 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -0.939 3.759 4.466 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.058 5.068 6.632 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.143 3.989 7.314 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.764 4.644 5.526 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.562 5.702 4.814 1.00 0.00 H new ATOM 0 HE ARG A 73 0.839 6.399 7.594 1.00 0.00 H new ATOM 0 HH11 ARG A 73 2.644 6.537 4.543 1.00 0.00 H new ATOM 0 HH12 ARG A 73 3.581 7.957 5.022 1.00 0.00 H new ATOM 0 HH21 ARG A 73 2.049 8.235 8.214 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.243 8.921 7.107 1.00 0.00 H new ATOM 1164 N GLU A 74 -1.765 2.683 8.410 1.00 0.00 N ATOM 1165 CA GLU A 74 -1.444 2.237 9.755 1.00 0.00 C ATOM 1166 C GLU A 74 -2.498 1.243 10.250 1.00 0.00 C ATOM 1167 O GLU A 74 -2.160 0.205 10.816 1.00 0.00 O ATOM 1168 CB GLU A 74 -1.320 3.424 10.712 1.00 0.00 C ATOM 1169 CG GLU A 74 0.043 4.104 10.567 1.00 0.00 C ATOM 1170 CD GLU A 74 0.588 4.536 11.929 1.00 0.00 C ATOM 1171 OE1 GLU A 74 0.567 3.686 12.845 1.00 0.00 O ATOM 1172 OE2 GLU A 74 1.011 5.709 12.026 1.00 0.00 O ATOM 0 H GLU A 74 -2.244 3.582 8.361 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.479 1.732 9.728 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.113 4.144 10.509 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.453 3.084 11.739 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.746 3.420 10.091 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.048 4.973 9.915 1.00 0.00 H new ATOM 1179 N HIS A 75 -3.753 1.596 10.017 1.00 0.00 N ATOM 1180 CA HIS A 75 -4.858 0.748 10.432 1.00 0.00 C ATOM 1181 C HIS A 75 -4.856 -0.539 9.604 1.00 0.00 C ATOM 1182 O HIS A 75 -5.140 -1.617 10.124 1.00 0.00 O ATOM 1183 CB HIS A 75 -6.185 1.505 10.348 1.00 0.00 C ATOM 1184 CG HIS A 75 -6.418 2.465 11.489 1.00 0.00 C ATOM 1185 ND1 HIS A 75 -6.979 2.078 12.693 1.00 0.00 N ATOM 1186 CD2 HIS A 75 -6.156 3.800 11.598 1.00 0.00 C ATOM 1187 CE1 HIS A 75 -7.050 3.139 13.483 1.00 0.00 C ATOM 1188 NE2 HIS A 75 -6.540 4.206 12.802 1.00 0.00 N ATOM 0 H HIS A 75 -4.030 2.458 9.546 1.00 0.00 H new ATOM 0 HA HIS A 75 -4.733 0.467 11.478 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -6.217 2.058 9.409 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -7.002 0.784 10.321 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -5.712 4.421 10.834 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -7.442 3.157 14.489 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -6.466 5.159 13.159 1.00 0.00 H new ATOM 1196 N VAL A 76 -4.534 -0.384 8.328 1.00 0.00 N ATOM 1197 CA VAL A 76 -4.491 -1.520 7.424 1.00 0.00 C ATOM 1198 C VAL A 76 -3.770 -2.684 8.106 1.00 0.00 C ATOM 1199 O VAL A 76 -2.671 -2.515 8.633 1.00 0.00 O ATOM 1200 CB VAL A 76 -3.844 -1.109 6.099 1.00 0.00 C ATOM 1201 CG1 VAL A 76 -3.424 -2.339 5.290 1.00 0.00 C ATOM 1202 CG2 VAL A 76 -4.779 -0.211 5.287 1.00 0.00 C ATOM 0 H VAL A 76 -4.300 0.511 7.899 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.500 -1.858 7.187 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.946 -0.536 6.328 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.967 -2.020 4.353 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.705 -2.924 5.864 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.301 -2.951 5.076 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.295 0.066 4.351 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.703 -0.748 5.073 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.006 0.689 5.858 1.00 0.00 H new ATOM 1212 N ARG A 77 -4.417 -3.839 8.074 1.00 0.00 N ATOM 1213 CA ARG A 77 -3.851 -5.031 8.684 1.00 0.00 C ATOM 1214 C ARG A 77 -4.259 -6.275 7.894 1.00 0.00 C ATOM 1215 O ARG A 77 -5.416 -6.412 7.497 1.00 0.00 O ATOM 1216 CB ARG A 77 -4.315 -5.180 10.135 1.00 0.00 C ATOM 1217 CG ARG A 77 -3.755 -6.459 10.760 1.00 0.00 C ATOM 1218 CD ARG A 77 -2.566 -6.148 11.672 1.00 0.00 C ATOM 1219 NE ARG A 77 -2.987 -5.232 12.755 1.00 0.00 N ATOM 1220 CZ ARG A 77 -2.797 -3.906 12.734 1.00 0.00 C ATOM 1221 NH1 ARG A 77 -2.192 -3.332 11.686 1.00 0.00 N ATOM 1222 NH2 ARG A 77 -3.210 -3.153 13.763 1.00 0.00 N ATOM 0 H ARG A 77 -5.328 -3.976 7.635 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.766 -4.928 8.671 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.991 -4.316 10.715 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.404 -5.199 10.172 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.536 -6.960 11.332 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.445 -7.147 9.973 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -2.172 -7.071 12.097 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -1.761 -5.695 11.093 1.00 0.00 H new ATOM 0 HE ARG A 77 -3.451 -5.635 13.569 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -1.876 -3.904 10.903 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -2.048 -2.322 11.671 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -3.669 -3.589 14.562 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -3.065 -2.143 13.747 1.00 0.00 H new ATOM 1236 N MET A 78 -3.287 -7.153 7.689 1.00 0.00 N ATOM 1237 CA MET A 78 -3.531 -8.381 6.953 1.00 0.00 C ATOM 1238 C MET A 78 -3.452 -9.598 7.878 1.00 0.00 C ATOM 1239 O MET A 78 -2.636 -9.632 8.797 1.00 0.00 O ATOM 1240 CB MET A 78 -2.495 -8.521 5.836 1.00 0.00 C ATOM 1241 CG MET A 78 -2.838 -7.611 4.654 1.00 0.00 C ATOM 1242 SD MET A 78 -1.532 -7.671 3.439 1.00 0.00 S ATOM 1243 CE MET A 78 -2.251 -6.655 2.161 1.00 0.00 C ATOM 0 H MET A 78 -2.329 -7.037 8.020 1.00 0.00 H new ATOM 0 HA MET A 78 -4.533 -8.335 6.527 1.00 0.00 H new ATOM 0 HB2 MET A 78 -1.506 -8.269 6.219 1.00 0.00 H new ATOM 0 HB3 MET A 78 -2.453 -9.558 5.502 1.00 0.00 H new ATOM 0 HG2 MET A 78 -3.780 -7.925 4.204 1.00 0.00 H new ATOM 0 HG3 MET A 78 -2.977 -6.587 5.001 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.458 -6.221 1.552 1.00 0.00 H new ATOM 0 HE2 MET A 78 -2.899 -7.266 1.532 1.00 0.00 H new ATOM 0 HE3 MET A 78 -2.836 -5.857 2.617 1.00 0.00 H new ATOM 1253 N VAL A 79 -4.312 -10.568 7.601 1.00 0.00 N ATOM 1254 CA VAL A 79 -4.350 -11.783 8.396 1.00 0.00 C ATOM 1255 C VAL A 79 -4.457 -12.993 7.466 1.00 0.00 C ATOM 1256 O VAL A 79 -5.421 -13.117 6.712 1.00 0.00 O ATOM 1257 CB VAL A 79 -5.491 -11.708 9.413 1.00 0.00 C ATOM 1258 CG1 VAL A 79 -5.579 -12.996 10.234 1.00 0.00 C ATOM 1259 CG2 VAL A 79 -5.337 -10.487 10.321 1.00 0.00 C ATOM 0 H VAL A 79 -4.987 -10.537 6.837 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.429 -11.893 8.968 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.425 -11.598 8.862 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.398 -12.916 10.949 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.759 -13.840 9.568 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -4.643 -13.150 10.770 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -6.161 -10.458 11.034 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.392 -10.552 10.861 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.348 -9.580 9.716 1.00 0.00 H new ATOM 1269 N ILE A 80 -3.455 -13.854 7.550 1.00 0.00 N ATOM 1270 CA ILE A 80 -3.423 -15.050 6.725 1.00 0.00 C ATOM 1271 C ILE A 80 -4.500 -16.025 7.206 1.00 0.00 C ATOM 1272 O ILE A 80 -4.369 -16.622 8.274 1.00 0.00 O ATOM 1273 CB ILE A 80 -2.016 -15.649 6.703 1.00 0.00 C ATOM 1274 CG1 ILE A 80 -0.968 -14.580 6.386 1.00 0.00 C ATOM 1275 CG2 ILE A 80 -1.939 -16.832 5.735 1.00 0.00 C ATOM 1276 CD1 ILE A 80 -1.130 -14.063 4.955 1.00 0.00 C ATOM 0 H ILE A 80 -2.658 -13.748 8.177 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.655 -14.804 5.689 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.793 -16.032 7.699 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.063 -13.752 7.089 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.031 -14.995 6.516 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.928 -17.240 5.738 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.643 -17.604 6.047 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.191 -16.496 4.729 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.374 -13.304 4.754 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.010 -14.889 4.254 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.122 -13.627 4.836 1.00 0.00 H new ATOM 1288 N ILE A 81 -5.540 -16.155 6.396 1.00 0.00 N ATOM 1289 CA ILE A 81 -6.638 -17.047 6.726 1.00 0.00 C ATOM 1290 C ILE A 81 -6.226 -18.490 6.428 1.00 0.00 C ATOM 1291 O ILE A 81 -6.251 -19.342 7.314 1.00 0.00 O ATOM 1292 CB ILE A 81 -7.917 -16.612 6.006 1.00 0.00 C ATOM 1293 CG1 ILE A 81 -8.328 -15.199 6.424 1.00 0.00 C ATOM 1294 CG2 ILE A 81 -9.042 -17.625 6.226 1.00 0.00 C ATOM 1295 CD1 ILE A 81 -8.250 -15.032 7.943 1.00 0.00 C ATOM 0 H ILE A 81 -5.645 -15.657 5.512 1.00 0.00 H new ATOM 0 HA ILE A 81 -6.864 -16.993 7.791 1.00 0.00 H new ATOM 0 HB ILE A 81 -7.714 -16.585 4.935 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -7.678 -14.469 5.941 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.344 -14.996 6.084 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -9.939 -17.292 5.704 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.737 -18.597 5.839 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -9.253 -17.709 7.292 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -8.547 -14.019 8.213 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -8.919 -15.747 8.422 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -7.228 -15.212 8.277 1.00 0.00 H new