USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 553 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 17 ASN : amide:sc= -0.28 K(o=-0.28,f=-2.5!) USER MOD Single : A 19 ASN : amide:sc= -0.354 X(o=-0.35,f=-0.048) USER MOD Single : A 20 LYS NZ :NH3+ 163:sc= -0.304 (180deg=-0.634) USER MOD Single : A 25 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.023) USER MOD Single : A 30 THR OG1 : rot -94:sc= 0.891 USER MOD Single : A 31 GLN : amide:sc= -0.29 K(o=-0.29,f=-2.1!) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -0.503 X(o=-0.5,f=-0.5) USER MOD Single : A 52 SER OG : rot 180:sc= -0.397 USER MOD Single : A 58 TYR OH : rot -154:sc= 0.396 USER MOD Single : A 60 GLN : amide:sc= -0.319 X(o=-0.32,f=0) USER MOD Single : A 61 CYS SG : rot -17:sc= -0.497 USER MOD Single : A 65 LYS NZ :NH3+ 164:sc= -0.372 (180deg=-1.05) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.374 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 47:sc= -0.086 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 68 N PHE A 8 8.453 -2.468 1.855 1.00 0.00 N ATOM 69 CA PHE A 8 7.301 -1.697 2.310 1.00 0.00 C ATOM 70 C PHE A 8 6.728 -2.283 3.596 1.00 0.00 C ATOM 71 O PHE A 8 6.964 -3.446 3.919 1.00 0.00 O ATOM 72 CB PHE A 8 6.224 -1.664 1.226 1.00 0.00 C ATOM 73 CG PHE A 8 6.760 -1.362 -0.145 1.00 0.00 C ATOM 74 CD1 PHE A 8 7.038 -0.058 -0.523 1.00 0.00 C ATOM 75 CD2 PHE A 8 6.987 -2.383 -1.054 1.00 0.00 C ATOM 76 CE1 PHE A 8 7.531 0.222 -1.782 1.00 0.00 C ATOM 77 CE2 PHE A 8 7.481 -2.108 -2.316 1.00 0.00 C ATOM 78 CZ PHE A 8 7.754 -0.805 -2.681 1.00 0.00 C ATOM 0 HA PHE A 8 7.633 -0.679 2.513 1.00 0.00 H new ATOM 0 HB2 PHE A 8 5.713 -2.627 1.203 1.00 0.00 H new ATOM 0 HB3 PHE A 8 5.478 -0.914 1.489 1.00 0.00 H new ATOM 0 HD1 PHE A 8 6.867 0.748 0.175 1.00 0.00 H new ATOM 0 HD2 PHE A 8 6.776 -3.404 -0.774 1.00 0.00 H new ATOM 0 HE1 PHE A 8 7.742 1.243 -2.065 1.00 0.00 H new ATOM 0 HE2 PHE A 8 7.653 -2.912 -3.016 1.00 0.00 H new ATOM 0 HZ PHE A 8 8.141 -0.588 -3.666 1.00 0.00 H new ATOM 88 N ARG A 9 5.972 -1.467 4.325 1.00 0.00 N ATOM 89 CA ARG A 9 5.364 -1.905 5.577 1.00 0.00 C ATOM 90 C ARG A 9 4.112 -1.092 5.888 1.00 0.00 C ATOM 91 O ARG A 9 3.929 0.008 5.367 1.00 0.00 O ATOM 92 CB ARG A 9 6.366 -1.779 6.726 1.00 0.00 C ATOM 93 CG ARG A 9 7.379 -2.912 6.776 1.00 0.00 C ATOM 94 CD ARG A 9 8.323 -2.763 7.958 1.00 0.00 C ATOM 95 NE ARG A 9 9.695 -3.126 7.611 1.00 0.00 N ATOM 96 CZ ARG A 9 10.633 -3.420 8.508 1.00 0.00 C ATOM 97 NH1 ARG A 9 10.353 -3.393 9.806 1.00 0.00 N ATOM 98 NH2 ARG A 9 11.856 -3.741 8.108 1.00 0.00 N ATOM 0 H ARG A 9 5.766 -0.501 4.071 1.00 0.00 H new ATOM 0 HA ARG A 9 5.078 -2.951 5.466 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.897 -0.832 6.632 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.822 -1.747 7.670 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.856 -3.866 6.844 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.954 -2.929 5.850 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.299 -1.733 8.313 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.978 -3.392 8.779 1.00 0.00 H new ATOM 0 HE ARG A 9 9.949 -3.156 6.624 1.00 0.00 H new ATOM 0 HH11 ARG A 9 9.415 -3.146 10.120 1.00 0.00 H new ATOM 0 HH12 ARG A 9 11.076 -3.619 10.489 1.00 0.00 H new ATOM 0 HH21 ARG A 9 12.078 -3.763 7.113 1.00 0.00 H new ATOM 0 HH22 ARG A 9 12.575 -3.966 8.796 1.00 0.00 H new ATOM 112 N VAL A 10 3.254 -1.641 6.740 1.00 0.00 N ATOM 113 CA VAL A 10 2.019 -0.967 7.123 1.00 0.00 C ATOM 114 C VAL A 10 2.310 0.355 7.823 1.00 0.00 C ATOM 115 O VAL A 10 2.976 0.387 8.858 1.00 0.00 O ATOM 116 CB VAL A 10 1.161 -1.847 8.049 1.00 0.00 C ATOM 117 CG1 VAL A 10 -0.204 -1.216 8.274 1.00 0.00 C ATOM 118 CG2 VAL A 10 1.019 -3.248 7.474 1.00 0.00 C ATOM 0 H VAL A 10 3.391 -2.551 7.179 1.00 0.00 H new ATOM 0 HA VAL A 10 1.466 -0.775 6.204 1.00 0.00 H new ATOM 0 HB VAL A 10 1.664 -1.923 9.013 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.796 -1.853 8.931 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.080 -0.236 8.734 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.716 -1.106 7.318 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.409 -3.856 8.143 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.541 -3.193 6.496 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.005 -3.701 7.371 1.00 0.00 H new ATOM 128 N GLY A 11 1.807 1.445 7.253 1.00 0.00 N ATOM 129 CA GLY A 11 2.024 2.756 7.837 1.00 0.00 C ATOM 130 C GLY A 11 2.921 3.630 6.984 1.00 0.00 C ATOM 131 O GLY A 11 2.827 4.857 7.027 1.00 0.00 O ATOM 0 H GLY A 11 1.253 1.444 6.397 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.063 3.252 7.975 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.468 2.641 8.826 1.00 0.00 H new ATOM 135 N GLU A 12 3.795 2.999 6.205 1.00 0.00 N ATOM 136 CA GLU A 12 4.712 3.728 5.338 1.00 0.00 C ATOM 137 C GLU A 12 3.974 4.320 4.141 1.00 0.00 C ATOM 138 O GLU A 12 2.802 4.024 3.913 1.00 0.00 O ATOM 139 CB GLU A 12 5.835 2.807 4.856 1.00 0.00 C ATOM 140 CG GLU A 12 6.731 2.304 5.975 1.00 0.00 C ATOM 141 CD GLU A 12 7.933 1.536 5.460 1.00 0.00 C ATOM 142 OE1 GLU A 12 7.736 0.579 4.681 1.00 0.00 O ATOM 143 OE2 GLU A 12 9.070 1.892 5.833 1.00 0.00 O ATOM 0 H GLU A 12 3.887 1.984 6.157 1.00 0.00 H new ATOM 0 HA GLU A 12 5.146 4.545 5.915 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.397 1.952 4.341 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.444 3.341 4.127 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.073 3.151 6.570 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.152 1.662 6.639 1.00 0.00 H new ATOM 150 N ARG A 13 4.670 5.159 3.380 1.00 0.00 N ATOM 151 CA ARG A 13 4.080 5.793 2.206 1.00 0.00 C ATOM 152 C ARG A 13 4.669 5.219 0.922 1.00 0.00 C ATOM 153 O ARG A 13 5.888 5.153 0.761 1.00 0.00 O ATOM 154 CB ARG A 13 4.305 7.305 2.251 1.00 0.00 C ATOM 155 CG ARG A 13 3.439 8.078 1.269 1.00 0.00 C ATOM 156 CD ARG A 13 2.337 8.848 1.979 1.00 0.00 C ATOM 157 NE ARG A 13 1.232 9.177 1.081 1.00 0.00 N ATOM 158 CZ ARG A 13 0.331 10.123 1.332 1.00 0.00 C ATOM 159 NH1 ARG A 13 0.399 10.836 2.451 1.00 0.00 N ATOM 160 NH2 ARG A 13 -0.643 10.359 0.464 1.00 0.00 N ATOM 0 H ARG A 13 5.642 5.415 3.555 1.00 0.00 H new ATOM 0 HA ARG A 13 3.009 5.590 2.215 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.104 7.664 3.260 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.354 7.514 2.041 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.061 8.771 0.702 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.996 7.387 0.551 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.962 8.256 2.814 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.749 9.766 2.398 1.00 0.00 H new ATOM 0 HE ARG A 13 1.147 8.651 0.211 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.145 10.660 3.124 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.295 11.560 2.637 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.702 9.815 -0.397 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.334 11.084 0.657 1.00 0.00 H new ATOM 174 N VAL A 14 3.797 4.805 0.009 1.00 0.00 N ATOM 175 CA VAL A 14 4.231 4.238 -1.262 1.00 0.00 C ATOM 176 C VAL A 14 3.696 5.051 -2.436 1.00 0.00 C ATOM 177 O VAL A 14 2.795 5.874 -2.275 1.00 0.00 O ATOM 178 CB VAL A 14 3.772 2.776 -1.413 1.00 0.00 C ATOM 179 CG1 VAL A 14 4.620 1.859 -0.547 1.00 0.00 C ATOM 180 CG2 VAL A 14 2.298 2.640 -1.065 1.00 0.00 C ATOM 0 H VAL A 14 2.785 4.852 0.126 1.00 0.00 H new ATOM 0 HA VAL A 14 5.321 4.270 -1.267 1.00 0.00 H new ATOM 0 HB VAL A 14 3.903 2.478 -2.453 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.281 0.830 -0.666 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.664 1.935 -0.851 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.524 2.154 0.498 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.992 1.600 -1.178 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.137 2.956 -0.034 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.707 3.266 -1.733 1.00 0.00 H new ATOM 190 N TRP A 15 4.259 4.816 -3.617 1.00 0.00 N ATOM 191 CA TRP A 15 3.840 5.528 -4.819 1.00 0.00 C ATOM 192 C TRP A 15 3.372 4.555 -5.896 1.00 0.00 C ATOM 193 O TRP A 15 4.182 3.877 -6.529 1.00 0.00 O ATOM 194 CB TRP A 15 4.991 6.385 -5.354 1.00 0.00 C ATOM 195 CG TRP A 15 4.809 7.851 -5.101 1.00 0.00 C ATOM 196 CD1 TRP A 15 4.473 8.804 -6.019 1.00 0.00 C ATOM 197 CD2 TRP A 15 4.957 8.530 -3.850 1.00 0.00 C ATOM 198 NE1 TRP A 15 4.403 10.035 -5.413 1.00 0.00 N ATOM 199 CE2 TRP A 15 4.694 9.893 -4.083 1.00 0.00 C ATOM 200 CE3 TRP A 15 5.284 8.119 -2.556 1.00 0.00 C ATOM 201 CZ2 TRP A 15 4.750 10.847 -3.068 1.00 0.00 C ATOM 202 CZ3 TRP A 15 5.339 9.065 -1.550 1.00 0.00 C ATOM 203 CH2 TRP A 15 5.073 10.415 -1.811 1.00 0.00 C ATOM 0 H TRP A 15 5.006 4.138 -3.767 1.00 0.00 H new ATOM 0 HA TRP A 15 3.004 6.175 -4.555 1.00 0.00 H new ATOM 0 HB2 TRP A 15 5.923 6.057 -4.893 1.00 0.00 H new ATOM 0 HB3 TRP A 15 5.090 6.218 -6.427 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.289 8.618 -7.067 1.00 0.00 H new ATOM 0 HE1 TRP A 15 4.172 10.913 -5.879 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.490 7.080 -2.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 4.546 11.889 -3.267 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 5.591 8.758 -0.546 1.00 0.00 H new ATOM 0 HH2 TRP A 15 5.124 11.130 -1.003 1.00 0.00 H new ATOM 214 N VAL A 16 2.061 4.493 -6.103 1.00 0.00 N ATOM 215 CA VAL A 16 1.488 3.606 -7.108 1.00 0.00 C ATOM 216 C VAL A 16 1.704 4.163 -8.512 1.00 0.00 C ATOM 217 O VAL A 16 1.447 5.338 -8.770 1.00 0.00 O ATOM 218 CB VAL A 16 -0.019 3.390 -6.877 1.00 0.00 C ATOM 219 CG1 VAL A 16 -0.549 2.295 -7.789 1.00 0.00 C ATOM 220 CG2 VAL A 16 -0.295 3.058 -5.419 1.00 0.00 C ATOM 0 H VAL A 16 1.376 5.046 -5.588 1.00 0.00 H new ATOM 0 HA VAL A 16 1.999 2.648 -7.015 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.540 4.316 -7.120 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.615 2.157 -7.611 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.389 2.579 -8.829 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.023 1.363 -7.582 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.365 2.909 -5.276 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.238 2.147 -5.146 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.044 3.880 -4.788 1.00 0.00 H new ATOM 230 N ASN A 17 2.182 3.313 -9.414 1.00 0.00 N ATOM 231 CA ASN A 17 2.438 3.723 -10.790 1.00 0.00 C ATOM 232 C ASN A 17 3.488 4.831 -10.845 1.00 0.00 C ATOM 233 O ASN A 17 3.590 5.553 -11.837 1.00 0.00 O ATOM 234 CB ASN A 17 1.141 4.196 -11.452 1.00 0.00 C ATOM 235 CG ASN A 17 0.880 3.501 -12.774 1.00 0.00 C ATOM 236 OD1 ASN A 17 1.752 2.821 -13.314 1.00 0.00 O ATOM 237 ND2 ASN A 17 -0.327 3.668 -13.302 1.00 0.00 N ATOM 0 H ASN A 17 2.400 2.336 -9.217 1.00 0.00 H new ATOM 0 HA ASN A 17 2.822 2.860 -11.334 1.00 0.00 H new ATOM 0 HB2 ASN A 17 0.304 4.014 -10.777 1.00 0.00 H new ATOM 0 HB3 ASN A 17 1.191 5.273 -11.614 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -0.561 3.224 -14.190 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -1.020 4.241 -12.820 1.00 0.00 H new ATOM 244 N GLY A 18 4.269 4.959 -9.775 1.00 0.00 N ATOM 245 CA GLY A 18 5.301 5.978 -9.727 1.00 0.00 C ATOM 246 C GLY A 18 4.747 7.382 -9.880 1.00 0.00 C ATOM 247 O GLY A 18 5.400 8.252 -10.455 1.00 0.00 O ATOM 0 H GLY A 18 4.205 4.375 -8.941 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.835 5.904 -8.780 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.028 5.791 -10.518 1.00 0.00 H new ATOM 251 N ASN A 19 3.540 7.605 -9.366 1.00 0.00 N ATOM 252 CA ASN A 19 2.907 8.916 -9.453 1.00 0.00 C ATOM 253 C ASN A 19 1.563 8.927 -8.730 1.00 0.00 C ATOM 254 O ASN A 19 0.612 9.568 -9.178 1.00 0.00 O ATOM 255 CB ASN A 19 2.713 9.318 -10.916 1.00 0.00 C ATOM 256 CG ASN A 19 2.620 10.820 -11.096 1.00 0.00 C ATOM 257 OD1 ASN A 19 1.668 11.328 -11.690 1.00 0.00 O ATOM 258 ND2 ASN A 19 3.611 11.540 -10.584 1.00 0.00 N ATOM 0 H ASN A 19 2.983 6.897 -8.887 1.00 0.00 H new ATOM 0 HA ASN A 19 3.565 9.637 -8.968 1.00 0.00 H new ATOM 0 HB2 ASN A 19 3.544 8.935 -11.508 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.806 8.852 -11.301 1.00 0.00 H new ATOM 0 HD21 ASN A 19 3.603 12.556 -10.675 1.00 0.00 H new ATOM 0 HD22 ASN A 19 4.380 11.077 -10.100 1.00 0.00 H new ATOM 265 N LYS A 20 1.491 8.217 -7.609 1.00 0.00 N ATOM 266 CA LYS A 20 0.261 8.149 -6.826 1.00 0.00 C ATOM 267 C LYS A 20 0.554 7.745 -5.383 1.00 0.00 C ATOM 268 O LYS A 20 0.598 6.558 -5.060 1.00 0.00 O ATOM 269 CB LYS A 20 -0.715 7.154 -7.456 1.00 0.00 C ATOM 270 CG LYS A 20 -1.231 7.585 -8.819 1.00 0.00 C ATOM 271 CD LYS A 20 -2.530 6.879 -9.173 1.00 0.00 C ATOM 272 CE LYS A 20 -3.315 7.649 -10.222 1.00 0.00 C ATOM 273 NZ LYS A 20 -4.744 7.232 -10.262 1.00 0.00 N ATOM 0 H LYS A 20 2.268 7.681 -7.222 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.192 9.141 -6.822 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.222 6.187 -7.553 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.562 7.014 -6.784 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.389 8.663 -8.825 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.480 7.369 -9.578 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.312 5.877 -9.543 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.138 6.762 -8.276 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.254 8.716 -10.010 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.863 7.492 -11.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.302 7.952 -10.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.826 6.322 -10.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.103 7.130 -9.291 1.00 0.00 H new ATOM 287 N PRO A 21 0.757 8.730 -4.490 1.00 0.00 N ATOM 288 CA PRO A 21 1.044 8.464 -3.076 1.00 0.00 C ATOM 289 C PRO A 21 -0.160 7.887 -2.340 1.00 0.00 C ATOM 290 O PRO A 21 -1.304 8.087 -2.750 1.00 0.00 O ATOM 291 CB PRO A 21 1.401 9.844 -2.518 1.00 0.00 C ATOM 292 CG PRO A 21 0.716 10.809 -3.423 1.00 0.00 C ATOM 293 CD PRO A 21 0.722 10.175 -4.786 1.00 0.00 C ATOM 0 HA PRO A 21 1.835 7.724 -2.954 1.00 0.00 H new ATOM 0 HB2 PRO A 21 1.059 9.955 -1.489 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.479 10.002 -2.514 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -0.303 11.003 -3.087 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.235 11.767 -3.436 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.164 10.446 -5.359 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.588 10.487 -5.370 1.00 0.00 H new ATOM 301 N GLY A 22 0.104 7.171 -1.253 1.00 0.00 N ATOM 302 CA GLY A 22 -0.969 6.576 -0.478 1.00 0.00 C ATOM 303 C GLY A 22 -0.458 5.803 0.722 1.00 0.00 C ATOM 304 O GLY A 22 0.560 5.115 0.638 1.00 0.00 O ATOM 0 H GLY A 22 1.042 6.992 -0.894 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.647 7.360 -0.140 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.547 5.909 -1.117 1.00 0.00 H new ATOM 308 N PHE A 23 -1.166 5.915 1.841 1.00 0.00 N ATOM 309 CA PHE A 23 -0.779 5.220 3.064 1.00 0.00 C ATOM 310 C PHE A 23 -1.203 3.756 3.015 1.00 0.00 C ATOM 311 O PHE A 23 -2.354 3.443 2.712 1.00 0.00 O ATOM 312 CB PHE A 23 -1.399 5.905 4.283 1.00 0.00 C ATOM 313 CG PHE A 23 -0.745 7.210 4.635 1.00 0.00 C ATOM 314 CD1 PHE A 23 0.561 7.244 5.098 1.00 0.00 C ATOM 315 CD2 PHE A 23 -1.434 8.405 4.502 1.00 0.00 C ATOM 316 CE1 PHE A 23 1.166 8.443 5.421 1.00 0.00 C ATOM 317 CE2 PHE A 23 -0.834 9.607 4.824 1.00 0.00 C ATOM 318 CZ PHE A 23 0.467 9.626 5.284 1.00 0.00 C ATOM 0 H PHE A 23 -2.011 6.480 1.927 1.00 0.00 H new ATOM 0 HA PHE A 23 0.307 5.261 3.148 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.458 6.078 4.093 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.335 5.233 5.139 1.00 0.00 H new ATOM 0 HD1 PHE A 23 1.112 6.322 5.208 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.452 8.397 4.142 1.00 0.00 H new ATOM 0 HE1 PHE A 23 2.184 8.455 5.780 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -1.383 10.531 4.716 1.00 0.00 H new ATOM 0 HZ PHE A 23 0.938 10.565 5.536 1.00 0.00 H new ATOM 328 N ILE A 24 -0.265 2.863 3.316 1.00 0.00 N ATOM 329 CA ILE A 24 -0.542 1.432 3.305 1.00 0.00 C ATOM 330 C ILE A 24 -1.354 1.020 4.529 1.00 0.00 C ATOM 331 O ILE A 24 -0.961 1.286 5.665 1.00 0.00 O ATOM 332 CB ILE A 24 0.760 0.608 3.265 1.00 0.00 C ATOM 333 CG1 ILE A 24 1.682 1.126 2.162 1.00 0.00 C ATOM 334 CG2 ILE A 24 0.448 -0.866 3.055 1.00 0.00 C ATOM 335 CD1 ILE A 24 3.006 0.397 2.089 1.00 0.00 C ATOM 0 H ILE A 24 0.693 3.106 3.570 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.120 1.228 2.403 1.00 0.00 H new ATOM 0 HB ILE A 24 1.272 0.717 4.221 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.173 1.036 1.202 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.869 2.187 2.325 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.378 -1.435 3.029 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.175 -1.226 3.874 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -0.083 -0.995 2.112 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.609 0.817 1.284 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.535 0.509 3.035 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.829 -0.661 1.895 1.00 0.00 H new ATOM 347 N GLN A 25 -2.488 0.370 4.290 1.00 0.00 N ATOM 348 CA GLN A 25 -3.356 -0.079 5.373 1.00 0.00 C ATOM 349 C GLN A 25 -3.397 -1.603 5.441 1.00 0.00 C ATOM 350 O GLN A 25 -3.452 -2.183 6.525 1.00 0.00 O ATOM 351 CB GLN A 25 -4.770 0.472 5.183 1.00 0.00 C ATOM 352 CG GLN A 25 -4.956 1.874 5.740 1.00 0.00 C ATOM 353 CD GLN A 25 -5.075 1.891 7.252 1.00 0.00 C ATOM 354 OE1 GLN A 25 -6.163 1.719 7.802 1.00 0.00 O ATOM 355 NE2 GLN A 25 -3.953 2.098 7.931 1.00 0.00 N ATOM 0 H GLN A 25 -2.828 0.142 3.356 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.949 0.298 6.311 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -5.009 0.478 4.120 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -5.480 -0.199 5.666 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.113 2.495 5.439 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.851 2.318 5.304 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.074 2.236 7.433 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.970 2.119 8.951 1.00 0.00 H new ATOM 364 N PHE A 26 -3.372 -2.243 4.276 1.00 0.00 N ATOM 365 CA PHE A 26 -3.407 -3.699 4.204 1.00 0.00 C ATOM 366 C PHE A 26 -2.284 -4.227 3.318 1.00 0.00 C ATOM 367 O PHE A 26 -1.977 -3.647 2.276 1.00 0.00 O ATOM 368 CB PHE A 26 -4.760 -4.172 3.670 1.00 0.00 C ATOM 369 CG PHE A 26 -5.222 -5.468 4.271 1.00 0.00 C ATOM 370 CD1 PHE A 26 -5.519 -5.554 5.621 1.00 0.00 C ATOM 371 CD2 PHE A 26 -5.359 -6.602 3.485 1.00 0.00 C ATOM 372 CE1 PHE A 26 -5.945 -6.745 6.177 1.00 0.00 C ATOM 373 CE2 PHE A 26 -5.784 -7.796 4.035 1.00 0.00 C ATOM 374 CZ PHE A 26 -6.078 -7.868 5.384 1.00 0.00 C ATOM 0 H PHE A 26 -3.328 -1.777 3.370 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.265 -4.091 5.211 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -5.508 -3.403 3.866 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.695 -4.285 2.588 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.416 -4.680 6.247 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -5.131 -6.551 2.431 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.174 -6.798 7.231 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -5.886 -8.672 3.412 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.411 -8.800 5.817 1.00 0.00 H new ATOM 384 N LEU A 27 -1.675 -5.331 3.739 1.00 0.00 N ATOM 385 CA LEU A 27 -0.586 -5.939 2.982 1.00 0.00 C ATOM 386 C LEU A 27 -0.679 -7.460 3.024 1.00 0.00 C ATOM 387 O LEU A 27 -0.458 -8.078 4.065 1.00 0.00 O ATOM 388 CB LEU A 27 0.765 -5.484 3.538 1.00 0.00 C ATOM 389 CG LEU A 27 1.223 -4.100 3.075 1.00 0.00 C ATOM 390 CD1 LEU A 27 2.598 -3.779 3.638 1.00 0.00 C ATOM 391 CD2 LEU A 27 1.234 -4.024 1.557 1.00 0.00 C ATOM 0 H LEU A 27 -1.917 -5.823 4.599 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.672 -5.616 1.945 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.712 -5.487 4.627 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.522 -6.214 3.254 1.00 0.00 H new ATOM 0 HG LEU A 27 0.518 -3.359 3.450 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.908 -2.791 3.299 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.557 -3.792 4.727 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.315 -4.523 3.292 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.562 -3.033 1.245 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.918 -4.774 1.160 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.230 -4.210 1.176 1.00 0.00 H new ATOM 403 N GLY A 28 -1.007 -8.059 1.883 1.00 0.00 N ATOM 404 CA GLY A 28 -1.124 -9.503 1.810 1.00 0.00 C ATOM 405 C GLY A 28 -2.113 -9.952 0.752 1.00 0.00 C ATOM 406 O GLY A 28 -2.799 -9.129 0.145 1.00 0.00 O ATOM 0 H GLY A 28 -1.194 -7.569 1.008 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.146 -9.933 1.595 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.435 -9.889 2.781 1.00 0.00 H new ATOM 410 N GLU A 29 -2.185 -11.260 0.530 1.00 0.00 N ATOM 411 CA GLU A 29 -3.097 -11.817 -0.464 1.00 0.00 C ATOM 412 C GLU A 29 -4.542 -11.450 -0.143 1.00 0.00 C ATOM 413 O GLU A 29 -4.880 -11.161 1.006 1.00 0.00 O ATOM 414 CB GLU A 29 -2.948 -13.337 -0.528 1.00 0.00 C ATOM 415 CG GLU A 29 -3.115 -14.022 0.818 1.00 0.00 C ATOM 416 CD GLU A 29 -4.518 -14.555 1.031 1.00 0.00 C ATOM 417 OE1 GLU A 29 -5.200 -14.849 0.028 1.00 0.00 O ATOM 418 OE2 GLU A 29 -4.934 -14.678 2.203 1.00 0.00 O ATOM 0 H GLU A 29 -1.624 -11.954 1.024 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.840 -11.392 -1.434 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -3.686 -13.737 -1.224 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.965 -13.581 -0.931 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.403 -14.844 0.894 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.874 -13.316 1.613 1.00 0.00 H new ATOM 425 N THR A 30 -5.392 -11.461 -1.165 1.00 0.00 N ATOM 426 CA THR A 30 -6.801 -11.129 -0.992 1.00 0.00 C ATOM 427 C THR A 30 -7.685 -12.328 -1.321 1.00 0.00 C ATOM 428 O THR A 30 -7.190 -13.407 -1.646 1.00 0.00 O ATOM 429 CB THR A 30 -7.181 -9.943 -1.879 1.00 0.00 C ATOM 430 OG1 THR A 30 -6.635 -10.094 -3.178 1.00 0.00 O ATOM 431 CG2 THR A 30 -6.708 -8.613 -1.334 1.00 0.00 C ATOM 0 H THR A 30 -5.129 -11.696 -2.122 1.00 0.00 H new ATOM 0 HA THR A 30 -6.959 -10.857 0.052 1.00 0.00 H new ATOM 0 HB THR A 30 -8.271 -9.939 -1.906 1.00 0.00 H new ATOM 0 HG1 THR A 30 -5.775 -9.627 -3.228 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.010 -7.814 -2.011 1.00 0.00 H new ATOM 0 HG22 THR A 30 -7.151 -8.444 -0.352 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.622 -8.622 -1.245 1.00 0.00 H new ATOM 439 N GLN A 31 -8.997 -12.130 -1.232 1.00 0.00 N ATOM 440 CA GLN A 31 -9.951 -13.195 -1.520 1.00 0.00 C ATOM 441 C GLN A 31 -10.509 -13.057 -2.932 1.00 0.00 C ATOM 442 O GLN A 31 -10.780 -14.053 -3.603 1.00 0.00 O ATOM 443 CB GLN A 31 -11.093 -13.174 -0.501 1.00 0.00 C ATOM 444 CG GLN A 31 -10.621 -13.228 0.942 1.00 0.00 C ATOM 445 CD GLN A 31 -11.521 -14.079 1.817 1.00 0.00 C ATOM 446 OE1 GLN A 31 -12.240 -14.949 1.327 1.00 0.00 O ATOM 447 NE2 GLN A 31 -11.484 -13.830 3.121 1.00 0.00 N ATOM 0 H GLN A 31 -9.423 -11.243 -0.963 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.428 -14.148 -1.448 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.683 -12.270 -0.648 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.754 -14.020 -0.690 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.607 -13.626 0.974 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.579 -12.216 1.345 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.872 -13.099 3.483 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.067 -14.370 3.760 1.00 0.00 H new ATOM 456 N PHE A 32 -10.680 -11.817 -3.377 1.00 0.00 N ATOM 457 CA PHE A 32 -11.206 -11.549 -4.710 1.00 0.00 C ATOM 458 C PHE A 32 -10.182 -11.910 -5.782 1.00 0.00 C ATOM 459 O PHE A 32 -10.543 -12.304 -6.891 1.00 0.00 O ATOM 460 CB PHE A 32 -11.600 -10.077 -4.839 1.00 0.00 C ATOM 461 CG PHE A 32 -10.456 -9.128 -4.618 1.00 0.00 C ATOM 462 CD1 PHE A 32 -9.523 -8.904 -5.618 1.00 0.00 C ATOM 463 CD2 PHE A 32 -10.317 -8.460 -3.413 1.00 0.00 C ATOM 464 CE1 PHE A 32 -8.469 -8.032 -5.417 1.00 0.00 C ATOM 465 CE2 PHE A 32 -9.266 -7.586 -3.207 1.00 0.00 C ATOM 466 CZ PHE A 32 -8.341 -7.372 -4.210 1.00 0.00 C ATOM 0 H PHE A 32 -10.462 -10.982 -2.834 1.00 0.00 H new ATOM 0 HA PHE A 32 -12.091 -12.169 -4.856 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -12.016 -9.906 -5.832 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -12.389 -9.856 -4.120 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.620 -9.416 -6.564 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.038 -8.624 -2.625 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -7.747 -7.867 -6.203 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.168 -7.071 -2.263 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.519 -6.690 -4.051 1.00 0.00 H new ATOM 476 N ALA A 33 -8.904 -11.774 -5.443 1.00 0.00 N ATOM 477 CA ALA A 33 -7.829 -12.087 -6.376 1.00 0.00 C ATOM 478 C ALA A 33 -6.652 -12.746 -5.659 1.00 0.00 C ATOM 479 O ALA A 33 -6.334 -12.394 -4.523 1.00 0.00 O ATOM 480 CB ALA A 33 -7.372 -10.826 -7.095 1.00 0.00 C ATOM 0 H ALA A 33 -8.588 -11.449 -4.529 1.00 0.00 H new ATOM 0 HA ALA A 33 -8.214 -12.794 -7.111 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.569 -11.074 -7.789 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -8.209 -10.398 -7.647 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.010 -10.102 -6.365 1.00 0.00 H new ATOM 486 N PRO A 34 -5.989 -13.714 -6.315 1.00 0.00 N ATOM 487 CA PRO A 34 -4.844 -14.420 -5.731 1.00 0.00 C ATOM 488 C PRO A 34 -3.585 -13.561 -5.703 1.00 0.00 C ATOM 489 O PRO A 34 -3.555 -12.467 -6.267 1.00 0.00 O ATOM 490 CB PRO A 34 -4.656 -15.613 -6.668 1.00 0.00 C ATOM 491 CG PRO A 34 -5.171 -15.142 -7.982 1.00 0.00 C ATOM 492 CD PRO A 34 -6.302 -14.198 -7.673 1.00 0.00 C ATOM 0 HA PRO A 34 -5.020 -14.697 -4.692 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -3.608 -15.904 -6.734 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -5.207 -16.485 -6.315 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -4.388 -14.639 -8.550 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -5.517 -15.979 -8.588 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -6.347 -13.378 -8.390 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -7.267 -14.704 -7.706 1.00 0.00 H new ATOM 500 N GLY A 35 -2.546 -14.065 -5.045 1.00 0.00 N ATOM 501 CA GLY A 35 -1.296 -13.332 -4.957 1.00 0.00 C ATOM 502 C GLY A 35 -1.317 -12.276 -3.869 1.00 0.00 C ATOM 503 O GLY A 35 -2.357 -11.678 -3.594 1.00 0.00 O ATOM 0 H GLY A 35 -2.547 -14.968 -4.571 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.482 -14.031 -4.765 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.089 -12.857 -5.916 1.00 0.00 H new ATOM 507 N GLN A 36 -0.163 -12.047 -3.250 1.00 0.00 N ATOM 508 CA GLN A 36 -0.050 -11.056 -2.186 1.00 0.00 C ATOM 509 C GLN A 36 -0.309 -9.651 -2.720 1.00 0.00 C ATOM 510 O GLN A 36 0.515 -9.089 -3.443 1.00 0.00 O ATOM 511 CB GLN A 36 1.338 -11.127 -1.542 1.00 0.00 C ATOM 512 CG GLN A 36 1.303 -11.451 -0.057 1.00 0.00 C ATOM 513 CD GLN A 36 1.821 -12.843 0.250 1.00 0.00 C ATOM 514 OE1 GLN A 36 1.431 -13.818 -0.392 1.00 0.00 O ATOM 515 NE2 GLN A 36 2.705 -12.942 1.236 1.00 0.00 N ATOM 0 H GLN A 36 0.707 -12.534 -3.467 1.00 0.00 H new ATOM 0 HA GLN A 36 -0.804 -11.280 -1.431 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.930 -11.884 -2.057 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.845 -10.173 -1.686 1.00 0.00 H new ATOM 0 HG2 GLN A 36 1.900 -10.718 0.485 1.00 0.00 H new ATOM 0 HG3 GLN A 36 0.279 -11.360 0.307 1.00 0.00 H new ATOM 0 HE21 GLN A 36 3.000 -12.107 1.742 1.00 0.00 H new ATOM 0 HE22 GLN A 36 3.089 -13.853 1.487 1.00 0.00 H new ATOM 524 N TRP A 37 -1.457 -9.087 -2.359 1.00 0.00 N ATOM 525 CA TRP A 37 -1.823 -7.747 -2.802 1.00 0.00 C ATOM 526 C TRP A 37 -1.407 -6.701 -1.772 1.00 0.00 C ATOM 527 O TRP A 37 -0.853 -7.034 -0.724 1.00 0.00 O ATOM 528 CB TRP A 37 -3.330 -7.663 -3.052 1.00 0.00 C ATOM 529 CG TRP A 37 -3.767 -8.384 -4.291 1.00 0.00 C ATOM 530 CD1 TRP A 37 -4.164 -9.687 -4.384 1.00 0.00 C ATOM 531 CD2 TRP A 37 -3.848 -7.844 -5.614 1.00 0.00 C ATOM 532 NE1 TRP A 37 -4.489 -9.989 -5.684 1.00 0.00 N ATOM 533 CE2 TRP A 37 -4.304 -8.874 -6.458 1.00 0.00 C ATOM 534 CE3 TRP A 37 -3.582 -6.588 -6.167 1.00 0.00 C ATOM 535 CZ2 TRP A 37 -4.498 -8.686 -7.825 1.00 0.00 C ATOM 536 CZ3 TRP A 37 -3.776 -6.403 -7.523 1.00 0.00 C ATOM 537 CH2 TRP A 37 -4.230 -7.447 -8.339 1.00 0.00 C ATOM 0 H TRP A 37 -2.150 -9.537 -1.761 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.296 -7.543 -3.734 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.857 -8.078 -2.193 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.621 -6.615 -3.128 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -4.215 -10.379 -3.556 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -4.815 -10.896 -6.019 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -3.231 -5.777 -5.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.847 -9.490 -8.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -3.574 -5.437 -7.961 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -4.371 -7.270 -9.395 1.00 0.00 H new ATOM 548 N ALA A 38 -1.679 -5.437 -2.076 1.00 0.00 N ATOM 549 CA ALA A 38 -1.334 -4.343 -1.178 1.00 0.00 C ATOM 550 C ALA A 38 -2.401 -3.254 -1.201 1.00 0.00 C ATOM 551 O ALA A 38 -2.523 -2.511 -2.175 1.00 0.00 O ATOM 552 CB ALA A 38 0.023 -3.763 -1.549 1.00 0.00 C ATOM 0 H ALA A 38 -2.138 -5.145 -2.939 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.282 -4.742 -0.165 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.268 -2.947 -0.870 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.784 -4.540 -1.472 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.009 -3.387 -2.572 1.00 0.00 H new ATOM 558 N GLY A 39 -3.173 -3.165 -0.123 1.00 0.00 N ATOM 559 CA GLY A 39 -4.220 -2.165 -0.040 1.00 0.00 C ATOM 560 C GLY A 39 -3.710 -0.831 0.469 1.00 0.00 C ATOM 561 O GLY A 39 -3.470 -0.666 1.665 1.00 0.00 O ATOM 0 H GLY A 39 -3.092 -3.769 0.695 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.666 -2.028 -1.025 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.010 -2.524 0.620 1.00 0.00 H new ATOM 565 N ILE A 40 -3.544 0.123 -0.441 1.00 0.00 N ATOM 566 CA ILE A 40 -3.060 1.449 -0.078 1.00 0.00 C ATOM 567 C ILE A 40 -4.203 2.458 -0.034 1.00 0.00 C ATOM 568 O ILE A 40 -5.251 2.251 -0.646 1.00 0.00 O ATOM 569 CB ILE A 40 -1.987 1.948 -1.067 1.00 0.00 C ATOM 570 CG1 ILE A 40 -0.899 0.887 -1.255 1.00 0.00 C ATOM 571 CG2 ILE A 40 -1.381 3.255 -0.578 1.00 0.00 C ATOM 572 CD1 ILE A 40 -0.447 0.735 -2.691 1.00 0.00 C ATOM 0 H ILE A 40 -3.738 0.002 -1.435 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.616 1.362 0.914 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.461 2.129 -2.032 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.039 1.146 -0.637 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.272 -0.072 -0.896 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.626 3.594 -1.287 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.163 4.009 -0.493 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.919 3.100 0.397 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.324 -0.033 -2.750 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.296 0.446 -3.311 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.044 1.683 -3.048 1.00 0.00 H new ATOM 584 N VAL A 41 -3.995 3.549 0.695 1.00 0.00 N ATOM 585 CA VAL A 41 -5.008 4.590 0.820 1.00 0.00 C ATOM 586 C VAL A 41 -4.578 5.864 0.099 1.00 0.00 C ATOM 587 O VAL A 41 -3.681 6.573 0.554 1.00 0.00 O ATOM 588 CB VAL A 41 -5.296 4.922 2.297 1.00 0.00 C ATOM 589 CG1 VAL A 41 -6.464 5.890 2.411 1.00 0.00 C ATOM 590 CG2 VAL A 41 -5.571 3.651 3.088 1.00 0.00 C ATOM 0 H VAL A 41 -3.134 3.735 1.208 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.917 4.203 0.359 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.413 5.402 2.719 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.651 6.112 3.462 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.225 6.813 1.882 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.354 5.440 1.971 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.772 3.906 4.128 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.436 3.140 2.666 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.702 2.995 3.037 1.00 0.00 H new ATOM 600 N LEU A 42 -5.224 6.148 -1.027 1.00 0.00 N ATOM 601 CA LEU A 42 -4.909 7.337 -1.810 1.00 0.00 C ATOM 602 C LEU A 42 -5.376 8.600 -1.093 1.00 0.00 C ATOM 603 O LEU A 42 -6.336 8.570 -0.322 1.00 0.00 O ATOM 604 CB LEU A 42 -5.561 7.251 -3.191 1.00 0.00 C ATOM 605 CG LEU A 42 -5.024 6.138 -4.092 1.00 0.00 C ATOM 606 CD1 LEU A 42 -5.731 6.153 -5.438 1.00 0.00 C ATOM 607 CD2 LEU A 42 -3.520 6.283 -4.276 1.00 0.00 C ATOM 0 H LEU A 42 -5.969 5.571 -1.418 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.827 7.387 -1.929 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.634 7.107 -3.061 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.427 8.206 -3.699 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.222 5.180 -3.612 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.336 5.354 -6.066 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.800 6.002 -5.289 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.565 7.114 -5.926 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.153 5.483 -4.920 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.301 7.247 -4.735 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.027 6.222 -3.306 1.00 0.00 H new ATOM 619 N ASP A 43 -4.689 9.708 -1.351 1.00 0.00 N ATOM 620 CA ASP A 43 -5.033 10.982 -0.729 1.00 0.00 C ATOM 621 C ASP A 43 -6.251 11.607 -1.403 1.00 0.00 C ATOM 622 O ASP A 43 -7.044 12.293 -0.759 1.00 0.00 O ATOM 623 CB ASP A 43 -3.846 11.945 -0.802 1.00 0.00 C ATOM 624 CG ASP A 43 -3.850 12.955 0.328 1.00 0.00 C ATOM 625 OD1 ASP A 43 -3.897 12.534 1.502 1.00 0.00 O ATOM 626 OD2 ASP A 43 -3.808 14.170 0.038 1.00 0.00 O ATOM 0 H ASP A 43 -3.892 9.750 -1.986 1.00 0.00 H new ATOM 0 HA ASP A 43 -5.276 10.793 0.316 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.917 11.375 -0.773 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.867 12.472 -1.756 1.00 0.00 H new ATOM 631 N GLU A 44 -6.391 11.367 -2.703 1.00 0.00 N ATOM 632 CA GLU A 44 -7.512 11.906 -3.464 1.00 0.00 C ATOM 633 C GLU A 44 -8.384 10.785 -4.023 1.00 0.00 C ATOM 634 O GLU A 44 -7.928 9.653 -4.181 1.00 0.00 O ATOM 635 CB GLU A 44 -7.003 12.789 -4.605 1.00 0.00 C ATOM 636 CG GLU A 44 -6.783 14.238 -4.201 1.00 0.00 C ATOM 637 CD GLU A 44 -5.314 14.607 -4.129 1.00 0.00 C ATOM 638 OE1 GLU A 44 -4.520 14.043 -4.911 1.00 0.00 O ATOM 639 OE2 GLU A 44 -4.956 15.460 -3.289 1.00 0.00 O ATOM 0 H GLU A 44 -5.742 10.803 -3.251 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.119 12.509 -2.789 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.065 12.379 -4.980 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.718 12.754 -5.427 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.283 14.891 -4.917 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.246 14.415 -3.230 1.00 0.00 H new ATOM 646 N PRO A 45 -9.657 11.087 -4.334 1.00 0.00 N ATOM 647 CA PRO A 45 -10.593 10.100 -4.877 1.00 0.00 C ATOM 648 C PRO A 45 -10.303 9.772 -6.339 1.00 0.00 C ATOM 649 O PRO A 45 -11.140 9.992 -7.215 1.00 0.00 O ATOM 650 CB PRO A 45 -11.949 10.794 -4.743 1.00 0.00 C ATOM 651 CG PRO A 45 -11.635 12.247 -4.816 1.00 0.00 C ATOM 652 CD PRO A 45 -10.282 12.416 -4.176 1.00 0.00 C ATOM 0 HA PRO A 45 -10.533 9.145 -4.354 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -12.628 10.495 -5.541 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -12.433 10.540 -3.800 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -11.622 12.591 -5.850 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -12.389 12.835 -4.293 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.699 13.195 -4.669 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -10.367 12.697 -3.126 1.00 0.00 H new ATOM 660 N ILE A 46 -9.111 9.245 -6.596 1.00 0.00 N ATOM 661 CA ILE A 46 -8.710 8.888 -7.951 1.00 0.00 C ATOM 662 C ILE A 46 -8.688 7.374 -8.141 1.00 0.00 C ATOM 663 O ILE A 46 -8.790 6.879 -9.264 1.00 0.00 O ATOM 664 CB ILE A 46 -7.321 9.458 -8.295 1.00 0.00 C ATOM 665 CG1 ILE A 46 -6.292 9.027 -7.248 1.00 0.00 C ATOM 666 CG2 ILE A 46 -7.383 10.975 -8.391 1.00 0.00 C ATOM 667 CD1 ILE A 46 -4.883 9.474 -7.567 1.00 0.00 C ATOM 0 H ILE A 46 -8.406 9.056 -5.884 1.00 0.00 H new ATOM 0 HA ILE A 46 -9.450 9.323 -8.623 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.012 9.062 -9.262 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.582 9.431 -6.278 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.309 7.941 -7.159 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.395 11.365 -8.635 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -8.089 11.262 -9.171 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.710 11.387 -7.436 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.207 9.134 -6.783 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.574 9.049 -8.522 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.851 10.562 -7.627 1.00 0.00 H new ATOM 679 N GLY A 47 -8.553 6.641 -7.039 1.00 0.00 N ATOM 680 CA GLY A 47 -8.520 5.193 -7.110 1.00 0.00 C ATOM 681 C GLY A 47 -9.808 4.608 -7.656 1.00 0.00 C ATOM 682 O GLY A 47 -10.459 5.209 -8.511 1.00 0.00 O ATOM 0 H GLY A 47 -8.466 7.026 -6.098 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.688 4.882 -7.741 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.334 4.788 -6.115 1.00 0.00 H new ATOM 686 N LYS A 48 -10.178 3.431 -7.161 1.00 0.00 N ATOM 687 CA LYS A 48 -11.396 2.764 -7.605 1.00 0.00 C ATOM 688 C LYS A 48 -12.213 2.275 -6.413 1.00 0.00 C ATOM 689 O LYS A 48 -13.416 2.520 -6.331 1.00 0.00 O ATOM 690 CB LYS A 48 -11.053 1.588 -8.520 1.00 0.00 C ATOM 691 CG LYS A 48 -10.558 2.010 -9.894 1.00 0.00 C ATOM 692 CD LYS A 48 -10.859 0.954 -10.943 1.00 0.00 C ATOM 693 CE LYS A 48 -9.948 -0.253 -10.798 1.00 0.00 C ATOM 694 NZ LYS A 48 -10.099 -1.204 -11.934 1.00 0.00 N ATOM 0 H LYS A 48 -9.652 2.920 -6.452 1.00 0.00 H new ATOM 0 HA LYS A 48 -11.994 3.486 -8.161 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.289 0.976 -8.040 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.937 0.961 -8.638 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.029 2.951 -10.178 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.484 2.190 -9.855 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.899 0.639 -10.855 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.739 1.384 -11.938 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.912 0.080 -10.739 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.172 -0.766 -9.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.460 -2.013 -11.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.082 -1.542 -11.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.861 -0.722 -12.824 1.00 0.00 H new ATOM 708 N ASN A 49 -11.551 1.581 -5.493 1.00 0.00 N ATOM 709 CA ASN A 49 -12.214 1.056 -4.307 1.00 0.00 C ATOM 710 C ASN A 49 -12.124 2.046 -3.149 1.00 0.00 C ATOM 711 O ASN A 49 -11.342 2.995 -3.191 1.00 0.00 O ATOM 712 CB ASN A 49 -11.594 -0.280 -3.897 1.00 0.00 C ATOM 713 CG ASN A 49 -11.727 -1.334 -4.979 1.00 0.00 C ATOM 714 OD1 ASN A 49 -12.824 -1.814 -5.264 1.00 0.00 O ATOM 715 ND2 ASN A 49 -10.605 -1.703 -5.588 1.00 0.00 N ATOM 0 H ASN A 49 -10.555 1.369 -5.547 1.00 0.00 H new ATOM 0 HA ASN A 49 -13.265 0.901 -4.550 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -10.539 -0.132 -3.665 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -12.074 -0.636 -2.985 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.632 -2.410 -6.323 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.717 -1.279 -5.321 1.00 0.00 H new ATOM 722 N ASP A 50 -12.930 1.816 -2.117 1.00 0.00 N ATOM 723 CA ASP A 50 -12.940 2.686 -0.946 1.00 0.00 C ATOM 724 C ASP A 50 -12.563 1.910 0.311 1.00 0.00 C ATOM 725 O ASP A 50 -13.030 2.218 1.407 1.00 0.00 O ATOM 726 CB ASP A 50 -14.320 3.323 -0.770 1.00 0.00 C ATOM 727 CG ASP A 50 -15.409 2.291 -0.552 1.00 0.00 C ATOM 728 OD1 ASP A 50 -15.460 1.308 -1.322 1.00 0.00 O ATOM 729 OD2 ASP A 50 -16.211 2.464 0.389 1.00 0.00 O ATOM 0 H ASP A 50 -13.584 1.035 -2.068 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.201 3.472 -1.102 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -14.296 4.007 0.078 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -14.558 3.918 -1.652 1.00 0.00 H new ATOM 734 N GLY A 51 -11.715 0.899 0.145 1.00 0.00 N ATOM 735 CA GLY A 51 -11.289 0.094 1.274 1.00 0.00 C ATOM 736 C GLY A 51 -11.775 -1.339 1.182 1.00 0.00 C ATOM 737 O GLY A 51 -11.071 -2.268 1.576 1.00 0.00 O ATOM 0 H GLY A 51 -11.316 0.624 -0.752 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.201 0.102 1.332 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.660 0.542 2.196 1.00 0.00 H new ATOM 741 N SER A 52 -12.985 -1.519 0.659 1.00 0.00 N ATOM 742 CA SER A 52 -13.564 -2.849 0.516 1.00 0.00 C ATOM 743 C SER A 52 -13.612 -3.267 -0.951 1.00 0.00 C ATOM 744 O SER A 52 -14.049 -2.502 -1.811 1.00 0.00 O ATOM 745 CB SER A 52 -14.973 -2.882 1.112 1.00 0.00 C ATOM 746 OG SER A 52 -14.944 -2.618 2.504 1.00 0.00 O ATOM 0 H SER A 52 -13.582 -0.761 0.328 1.00 0.00 H new ATOM 0 HA SER A 52 -12.931 -3.553 1.056 1.00 0.00 H new ATOM 0 HB2 SER A 52 -15.600 -2.144 0.612 1.00 0.00 H new ATOM 0 HB3 SER A 52 -15.424 -3.858 0.933 1.00 0.00 H new ATOM 0 HG SER A 52 -15.856 -2.643 2.861 1.00 0.00 H new ATOM 752 N VAL A 53 -13.157 -4.485 -1.229 1.00 0.00 N ATOM 753 CA VAL A 53 -13.147 -5.004 -2.591 1.00 0.00 C ATOM 754 C VAL A 53 -14.009 -6.256 -2.710 1.00 0.00 C ATOM 755 O VAL A 53 -13.861 -7.200 -1.933 1.00 0.00 O ATOM 756 CB VAL A 53 -11.716 -5.334 -3.056 1.00 0.00 C ATOM 757 CG1 VAL A 53 -11.700 -5.683 -4.535 1.00 0.00 C ATOM 758 CG2 VAL A 53 -10.779 -4.170 -2.765 1.00 0.00 C ATOM 0 H VAL A 53 -12.791 -5.130 -0.529 1.00 0.00 H new ATOM 0 HA VAL A 53 -13.558 -4.222 -3.229 1.00 0.00 H new ATOM 0 HB VAL A 53 -11.365 -6.203 -2.499 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.680 -5.913 -4.844 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -12.337 -6.550 -4.711 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -12.072 -4.837 -5.113 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -9.772 -4.421 -3.100 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -11.127 -3.282 -3.293 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -10.766 -3.973 -1.693 1.00 0.00 H new ATOM 768 N ALA A 54 -14.911 -6.257 -3.685 1.00 0.00 N ATOM 769 CA ALA A 54 -15.799 -7.392 -3.907 1.00 0.00 C ATOM 770 C ALA A 54 -16.650 -7.675 -2.673 1.00 0.00 C ATOM 771 O ALA A 54 -17.073 -8.808 -2.447 1.00 0.00 O ATOM 772 CB ALA A 54 -14.992 -8.624 -4.288 1.00 0.00 C ATOM 0 H ALA A 54 -15.047 -5.483 -4.335 1.00 0.00 H new ATOM 0 HA ALA A 54 -16.471 -7.141 -4.728 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -15.666 -9.465 -4.451 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -14.433 -8.424 -5.202 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -14.297 -8.867 -3.484 1.00 0.00 H new ATOM 778 N GLY A 55 -16.896 -6.639 -1.877 1.00 0.00 N ATOM 779 CA GLY A 55 -17.696 -6.799 -0.677 1.00 0.00 C ATOM 780 C GLY A 55 -16.850 -7.019 0.562 1.00 0.00 C ATOM 781 O GLY A 55 -17.253 -6.661 1.668 1.00 0.00 O ATOM 0 H GLY A 55 -16.555 -5.692 -2.042 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -18.316 -5.913 -0.537 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -18.372 -7.644 -0.806 1.00 0.00 H new ATOM 785 N VAL A 56 -15.673 -7.610 0.377 1.00 0.00 N ATOM 786 CA VAL A 56 -14.770 -7.878 1.490 1.00 0.00 C ATOM 787 C VAL A 56 -14.064 -6.603 1.944 1.00 0.00 C ATOM 788 O VAL A 56 -13.475 -5.887 1.134 1.00 0.00 O ATOM 789 CB VAL A 56 -13.711 -8.932 1.115 1.00 0.00 C ATOM 790 CG1 VAL A 56 -12.880 -9.312 2.331 1.00 0.00 C ATOM 791 CG2 VAL A 56 -14.370 -10.161 0.506 1.00 0.00 C ATOM 0 H VAL A 56 -15.323 -7.912 -0.532 1.00 0.00 H new ATOM 0 HA VAL A 56 -15.381 -8.263 2.306 1.00 0.00 H new ATOM 0 HB VAL A 56 -13.045 -8.499 0.369 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -12.138 -10.057 2.046 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -12.375 -8.427 2.718 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -13.531 -9.725 3.102 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -13.605 -10.894 0.248 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -15.062 -10.597 1.226 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -14.915 -9.874 -0.393 1.00 0.00 H new ATOM 801 N ARG A 57 -14.129 -6.329 3.242 1.00 0.00 N ATOM 802 CA ARG A 57 -13.497 -5.142 3.805 1.00 0.00 C ATOM 803 C ARG A 57 -12.070 -5.446 4.252 1.00 0.00 C ATOM 804 O ARG A 57 -11.804 -6.497 4.836 1.00 0.00 O ATOM 805 CB ARG A 57 -14.313 -4.617 4.988 1.00 0.00 C ATOM 806 CG ARG A 57 -13.731 -3.364 5.620 1.00 0.00 C ATOM 807 CD ARG A 57 -14.748 -2.659 6.506 1.00 0.00 C ATOM 808 NE ARG A 57 -14.324 -2.619 7.903 1.00 0.00 N ATOM 809 CZ ARG A 57 -14.457 -3.639 8.749 1.00 0.00 C ATOM 810 NH1 ARG A 57 -15.002 -4.780 8.344 1.00 0.00 N ATOM 811 NH2 ARG A 57 -14.044 -3.518 10.003 1.00 0.00 N ATOM 0 H ARG A 57 -14.613 -6.913 3.924 1.00 0.00 H new ATOM 0 HA ARG A 57 -13.461 -4.377 3.029 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -15.329 -4.407 4.653 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -14.382 -5.397 5.746 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -12.854 -3.628 6.211 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -13.396 -2.683 4.838 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -14.900 -1.642 6.144 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -15.708 -3.170 6.433 1.00 0.00 H new ATOM 0 HE ARG A 57 -13.901 -1.759 8.251 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -15.321 -4.879 7.380 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -15.101 -5.558 8.996 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -13.625 -2.644 10.320 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -14.146 -4.299 10.651 1.00 0.00 H new ATOM 825 N TYR A 58 -11.159 -4.521 3.975 1.00 0.00 N ATOM 826 CA TYR A 58 -9.759 -4.690 4.350 1.00 0.00 C ATOM 827 C TYR A 58 -9.282 -3.526 5.212 1.00 0.00 C ATOM 828 O TYR A 58 -8.604 -3.724 6.220 1.00 0.00 O ATOM 829 CB TYR A 58 -8.885 -4.803 3.100 1.00 0.00 C ATOM 830 CG TYR A 58 -9.188 -6.024 2.258 1.00 0.00 C ATOM 831 CD1 TYR A 58 -8.797 -7.290 2.672 1.00 0.00 C ATOM 832 CD2 TYR A 58 -9.865 -5.906 1.051 1.00 0.00 C ATOM 833 CE1 TYR A 58 -9.072 -8.407 1.905 1.00 0.00 C ATOM 834 CE2 TYR A 58 -10.144 -7.019 0.278 1.00 0.00 C ATOM 835 CZ TYR A 58 -9.745 -8.266 0.710 1.00 0.00 C ATOM 836 OH TYR A 58 -10.021 -9.375 -0.055 1.00 0.00 O ATOM 0 H TYR A 58 -11.364 -3.646 3.492 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.673 -5.608 4.931 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -9.019 -3.909 2.491 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.838 -4.830 3.400 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.270 -7.404 3.608 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -10.179 -4.930 0.711 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -8.761 -9.385 2.240 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.671 -6.912 -0.658 1.00 0.00 H new ATOM 0 HH TYR A 58 -10.106 -9.111 -0.995 1.00 0.00 H new ATOM 846 N PHE A 59 -9.643 -2.312 4.810 1.00 0.00 N ATOM 847 CA PHE A 59 -9.252 -1.115 5.545 1.00 0.00 C ATOM 848 C PHE A 59 -10.257 0.010 5.327 1.00 0.00 C ATOM 849 O PHE A 59 -10.776 0.187 4.224 1.00 0.00 O ATOM 850 CB PHE A 59 -7.857 -0.660 5.114 1.00 0.00 C ATOM 851 CG PHE A 59 -7.750 -0.362 3.645 1.00 0.00 C ATOM 852 CD1 PHE A 59 -8.058 0.897 3.156 1.00 0.00 C ATOM 853 CD2 PHE A 59 -7.344 -1.343 2.754 1.00 0.00 C ATOM 854 CE1 PHE A 59 -7.962 1.173 1.806 1.00 0.00 C ATOM 855 CE2 PHE A 59 -7.247 -1.072 1.403 1.00 0.00 C ATOM 856 CZ PHE A 59 -7.556 0.187 0.927 1.00 0.00 C ATOM 0 H PHE A 59 -10.206 -2.131 3.979 1.00 0.00 H new ATOM 0 HA PHE A 59 -9.234 -1.360 6.607 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.584 0.232 5.678 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -7.135 -1.434 5.373 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -8.377 1.671 3.838 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -7.101 -2.330 3.120 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -8.204 2.159 1.438 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.929 -1.845 0.719 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.481 0.400 -0.129 1.00 0.00 H new ATOM 866 N GLN A 60 -10.528 0.770 6.384 1.00 0.00 N ATOM 867 CA GLN A 60 -11.473 1.879 6.308 1.00 0.00 C ATOM 868 C GLN A 60 -10.803 3.124 5.735 1.00 0.00 C ATOM 869 O GLN A 60 -9.665 3.443 6.079 1.00 0.00 O ATOM 870 CB GLN A 60 -12.045 2.184 7.693 1.00 0.00 C ATOM 871 CG GLN A 60 -13.286 3.062 7.659 1.00 0.00 C ATOM 872 CD GLN A 60 -14.549 2.276 7.367 1.00 0.00 C ATOM 873 OE1 GLN A 60 -15.296 1.920 8.278 1.00 0.00 O ATOM 874 NE2 GLN A 60 -14.793 2.000 6.091 1.00 0.00 N ATOM 0 H GLN A 60 -10.106 0.638 7.303 1.00 0.00 H new ATOM 0 HA GLN A 60 -12.286 1.587 5.644 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -12.288 1.246 8.191 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -11.279 2.675 8.293 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -13.393 3.571 8.617 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -13.159 3.834 6.900 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -14.146 2.315 5.368 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -15.628 1.473 5.834 1.00 0.00 H new ATOM 883 N CYS A 61 -11.518 3.825 4.860 1.00 0.00 N ATOM 884 CA CYS A 61 -10.993 5.036 4.240 1.00 0.00 C ATOM 885 C CYS A 61 -12.099 5.803 3.522 1.00 0.00 C ATOM 886 O CYS A 61 -13.272 5.438 3.601 1.00 0.00 O ATOM 887 CB CYS A 61 -9.876 4.686 3.255 1.00 0.00 C ATOM 888 SG CYS A 61 -10.413 3.669 1.860 1.00 0.00 S ATOM 0 H CYS A 61 -12.462 3.575 4.565 1.00 0.00 H new ATOM 0 HA CYS A 61 -10.588 5.672 5.027 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -9.442 5.609 2.872 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -9.085 4.161 3.791 1.00 0.00 H new ATOM 0 HG CYS A 61 -11.565 3.132 2.133 1.00 0.00 H new ATOM 894 N GLU A 62 -11.717 6.868 2.825 1.00 0.00 N ATOM 895 CA GLU A 62 -12.678 7.685 2.093 1.00 0.00 C ATOM 896 C GLU A 62 -13.008 7.061 0.740 1.00 0.00 C ATOM 897 O GLU A 62 -12.255 6.233 0.228 1.00 0.00 O ATOM 898 CB GLU A 62 -12.129 9.100 1.896 1.00 0.00 C ATOM 899 CG GLU A 62 -12.518 10.063 3.007 1.00 0.00 C ATOM 900 CD GLU A 62 -13.398 11.196 2.517 1.00 0.00 C ATOM 901 OE1 GLU A 62 -14.616 10.973 2.352 1.00 0.00 O ATOM 902 OE2 GLU A 62 -12.869 12.306 2.297 1.00 0.00 O ATOM 0 H GLU A 62 -10.750 7.185 2.752 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.595 7.736 2.680 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.042 9.053 1.831 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.489 9.491 0.944 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -13.041 9.515 3.791 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.615 10.477 3.456 1.00 0.00 H new ATOM 909 N PRO A 63 -14.146 7.451 0.142 1.00 0.00 N ATOM 910 CA PRO A 63 -14.575 6.924 -1.159 1.00 0.00 C ATOM 911 C PRO A 63 -13.530 7.140 -2.247 1.00 0.00 C ATOM 912 O PRO A 63 -12.975 8.231 -2.382 1.00 0.00 O ATOM 913 CB PRO A 63 -15.842 7.724 -1.474 1.00 0.00 C ATOM 914 CG PRO A 63 -16.333 8.201 -0.151 1.00 0.00 C ATOM 915 CD PRO A 63 -15.105 8.429 0.683 1.00 0.00 C ATOM 0 HA PRO A 63 -14.734 5.846 -1.124 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -15.626 8.559 -2.140 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -16.587 7.104 -1.972 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -16.910 9.120 -0.256 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -16.989 7.464 0.312 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.736 9.450 0.587 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.300 8.259 1.742 1.00 0.00 H new ATOM 923 N LEU A 64 -13.272 6.095 -3.025 1.00 0.00 N ATOM 924 CA LEU A 64 -12.299 6.170 -4.109 1.00 0.00 C ATOM 925 C LEU A 64 -10.909 6.523 -3.585 1.00 0.00 C ATOM 926 O LEU A 64 -10.066 7.023 -4.330 1.00 0.00 O ATOM 927 CB LEU A 64 -12.744 7.206 -5.142 1.00 0.00 C ATOM 928 CG LEU A 64 -14.218 7.128 -5.544 1.00 0.00 C ATOM 929 CD1 LEU A 64 -14.795 8.521 -5.742 1.00 0.00 C ATOM 930 CD2 LEU A 64 -14.382 6.299 -6.809 1.00 0.00 C ATOM 0 H LEU A 64 -13.723 5.186 -2.925 1.00 0.00 H new ATOM 0 HA LEU A 64 -12.244 5.188 -4.580 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -12.544 8.201 -4.745 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -12.133 7.090 -6.037 1.00 0.00 H new ATOM 0 HG LEU A 64 -14.767 6.641 -4.738 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -15.844 8.443 -6.027 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -14.713 9.084 -4.813 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -14.242 9.035 -6.528 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -15.437 6.254 -7.080 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -13.818 6.758 -7.621 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -14.009 5.290 -6.634 1.00 0.00 H new ATOM 942 N LYS A 65 -10.671 6.259 -2.303 1.00 0.00 N ATOM 943 CA LYS A 65 -9.377 6.550 -1.692 1.00 0.00 C ATOM 944 C LYS A 65 -8.688 5.268 -1.239 1.00 0.00 C ATOM 945 O LYS A 65 -8.059 5.228 -0.182 1.00 0.00 O ATOM 946 CB LYS A 65 -9.550 7.499 -0.503 1.00 0.00 C ATOM 947 CG LYS A 65 -10.162 8.839 -0.877 1.00 0.00 C ATOM 948 CD LYS A 65 -9.434 9.993 -0.206 1.00 0.00 C ATOM 949 CE LYS A 65 -10.009 11.334 -0.629 1.00 0.00 C ATOM 950 NZ LYS A 65 -11.242 11.677 0.133 1.00 0.00 N ATOM 0 H LYS A 65 -11.355 5.845 -1.669 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.750 7.032 -2.443 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.179 7.018 0.246 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.578 7.670 -0.041 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.128 8.966 -1.959 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -11.213 8.853 -0.588 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.506 9.890 0.877 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.375 9.953 -0.460 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.261 12.113 -0.479 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.236 11.311 -1.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.449 12.690 0.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -12.041 11.118 -0.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.098 11.463 1.140 1.00 0.00 H new ATOM 964 N GLY A 66 -8.811 4.219 -2.047 1.00 0.00 N ATOM 965 CA GLY A 66 -8.194 2.950 -1.713 1.00 0.00 C ATOM 966 C GLY A 66 -8.135 2.005 -2.896 1.00 0.00 C ATOM 967 O GLY A 66 -9.154 1.727 -3.528 1.00 0.00 O ATOM 0 H GLY A 66 -9.327 4.226 -2.927 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.184 3.127 -1.343 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.753 2.480 -0.904 1.00 0.00 H new ATOM 971 N ILE A 67 -6.939 1.510 -3.196 1.00 0.00 N ATOM 972 CA ILE A 67 -6.750 0.591 -4.312 1.00 0.00 C ATOM 973 C ILE A 67 -5.792 -0.536 -3.937 1.00 0.00 C ATOM 974 O ILE A 67 -4.977 -0.393 -3.024 1.00 0.00 O ATOM 975 CB ILE A 67 -6.213 1.322 -5.558 1.00 0.00 C ATOM 976 CG1 ILE A 67 -6.126 0.360 -6.747 1.00 0.00 C ATOM 977 CG2 ILE A 67 -4.853 1.941 -5.269 1.00 0.00 C ATOM 978 CD1 ILE A 67 -6.114 1.058 -8.089 1.00 0.00 C ATOM 0 H ILE A 67 -6.086 1.730 -2.682 1.00 0.00 H new ATOM 0 HA ILE A 67 -7.727 0.168 -4.546 1.00 0.00 H new ATOM 0 HB ILE A 67 -6.906 2.123 -5.814 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -5.222 -0.242 -6.652 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -6.972 -0.327 -6.711 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.489 2.453 -6.160 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -4.945 2.656 -4.452 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.149 1.158 -4.988 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -6.051 0.316 -8.885 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -7.029 1.638 -8.206 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -5.253 1.724 -8.145 1.00 0.00 H new ATOM 990 N PHE A 68 -5.895 -1.655 -4.646 1.00 0.00 N ATOM 991 CA PHE A 68 -5.038 -2.807 -4.387 1.00 0.00 C ATOM 992 C PHE A 68 -4.109 -3.070 -5.568 1.00 0.00 C ATOM 993 O PHE A 68 -4.563 -3.385 -6.668 1.00 0.00 O ATOM 994 CB PHE A 68 -5.887 -4.046 -4.103 1.00 0.00 C ATOM 995 CG PHE A 68 -6.626 -3.980 -2.797 1.00 0.00 C ATOM 996 CD1 PHE A 68 -7.672 -3.088 -2.624 1.00 0.00 C ATOM 997 CD2 PHE A 68 -6.275 -4.809 -1.744 1.00 0.00 C ATOM 998 CE1 PHE A 68 -8.354 -3.025 -1.424 1.00 0.00 C ATOM 999 CE2 PHE A 68 -6.953 -4.750 -0.542 1.00 0.00 C ATOM 1000 CZ PHE A 68 -7.995 -3.856 -0.381 1.00 0.00 C ATOM 0 H PHE A 68 -6.563 -1.789 -5.405 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.428 -2.586 -3.511 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -6.606 -4.177 -4.912 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.243 -4.926 -4.103 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.957 -2.435 -3.436 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.462 -5.510 -1.864 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -9.168 -2.326 -1.302 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.669 -5.402 0.271 1.00 0.00 H new ATOM 0 HZ PHE A 68 -8.527 -3.808 0.558 1.00 0.00 H new ATOM 1010 N THR A 69 -2.809 -2.940 -5.332 1.00 0.00 N ATOM 1011 CA THR A 69 -1.816 -3.166 -6.375 1.00 0.00 C ATOM 1012 C THR A 69 -0.700 -4.078 -5.876 1.00 0.00 C ATOM 1013 O THR A 69 -0.576 -4.324 -4.677 1.00 0.00 O ATOM 1014 CB THR A 69 -1.228 -1.835 -6.846 1.00 0.00 C ATOM 1015 OG1 THR A 69 -0.141 -2.050 -7.727 1.00 0.00 O ATOM 1016 CG2 THR A 69 -0.734 -0.963 -5.712 1.00 0.00 C ATOM 0 H THR A 69 -2.418 -2.679 -4.427 1.00 0.00 H new ATOM 0 HA THR A 69 -2.313 -3.654 -7.214 1.00 0.00 H new ATOM 0 HB THR A 69 -2.047 -1.320 -7.348 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.220 -1.187 -8.018 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.330 -0.035 -6.116 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.562 -0.736 -5.040 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.046 -1.489 -5.162 1.00 0.00 H new ATOM 1024 N ARG A 70 0.108 -4.578 -6.805 1.00 0.00 N ATOM 1025 CA ARG A 70 1.214 -5.464 -6.458 1.00 0.00 C ATOM 1026 C ARG A 70 2.320 -4.695 -5.736 1.00 0.00 C ATOM 1027 O ARG A 70 2.792 -3.670 -6.229 1.00 0.00 O ATOM 1028 CB ARG A 70 1.776 -6.125 -7.717 1.00 0.00 C ATOM 1029 CG ARG A 70 0.777 -7.022 -8.431 1.00 0.00 C ATOM 1030 CD ARG A 70 1.462 -7.912 -9.456 1.00 0.00 C ATOM 1031 NE ARG A 70 0.504 -8.724 -10.202 1.00 0.00 N ATOM 1032 CZ ARG A 70 0.852 -9.694 -11.044 1.00 0.00 C ATOM 1033 NH1 ARG A 70 2.132 -9.976 -11.250 1.00 0.00 N ATOM 1034 NH2 ARG A 70 -0.083 -10.384 -11.682 1.00 0.00 N ATOM 0 H ARG A 70 0.018 -4.385 -7.803 1.00 0.00 H new ATOM 0 HA ARG A 70 0.835 -6.236 -5.788 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.112 -5.350 -8.405 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.653 -6.714 -7.448 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.255 -7.641 -7.701 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.024 -6.409 -8.925 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.031 -7.294 -10.150 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.175 -8.564 -8.951 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.490 -8.537 -10.070 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.855 -9.448 -10.762 1.00 0.00 H new ATOM 0 HH12 ARG A 70 2.393 -10.721 -11.897 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -1.069 -10.171 -11.527 1.00 0.00 H new ATOM 0 HH22 ARG A 70 0.183 -11.128 -12.328 1.00 0.00 H new ATOM 1048 N PRO A 71 2.754 -5.178 -4.557 1.00 0.00 N ATOM 1049 CA PRO A 71 3.813 -4.523 -3.781 1.00 0.00 C ATOM 1050 C PRO A 71 5.090 -4.341 -4.590 1.00 0.00 C ATOM 1051 O PRO A 71 5.702 -3.274 -4.574 1.00 0.00 O ATOM 1052 CB PRO A 71 4.056 -5.482 -2.613 1.00 0.00 C ATOM 1053 CG PRO A 71 2.802 -6.276 -2.497 1.00 0.00 C ATOM 1054 CD PRO A 71 2.254 -6.395 -3.890 1.00 0.00 C ATOM 0 HA PRO A 71 3.523 -3.520 -3.468 1.00 0.00 H new ATOM 0 HB2 PRO A 71 4.914 -6.126 -2.804 1.00 0.00 H new ATOM 0 HB3 PRO A 71 4.264 -4.937 -1.692 1.00 0.00 H new ATOM 0 HG2 PRO A 71 3.001 -7.259 -2.071 1.00 0.00 H new ATOM 0 HG3 PRO A 71 2.088 -5.782 -1.838 1.00 0.00 H new ATOM 0 HD2 PRO A 71 2.608 -7.299 -4.385 1.00 0.00 H new ATOM 0 HD3 PRO A 71 1.165 -6.436 -3.892 1.00 0.00 H new ATOM 1062 N SER A 72 5.489 -5.393 -5.297 1.00 0.00 N ATOM 1063 CA SER A 72 6.695 -5.352 -6.115 1.00 0.00 C ATOM 1064 C SER A 72 6.604 -4.258 -7.176 1.00 0.00 C ATOM 1065 O SER A 72 7.623 -3.778 -7.674 1.00 0.00 O ATOM 1066 CB SER A 72 6.929 -6.710 -6.781 1.00 0.00 C ATOM 1067 OG SER A 72 8.277 -7.124 -6.637 1.00 0.00 O ATOM 0 H SER A 72 4.994 -6.285 -5.320 1.00 0.00 H new ATOM 0 HA SER A 72 7.537 -5.124 -5.462 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.267 -7.454 -6.338 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.676 -6.648 -7.839 1.00 0.00 H new ATOM 0 HG SER A 72 8.400 -7.995 -7.069 1.00 0.00 H new ATOM 1073 N LYS A 73 5.380 -3.870 -7.522 1.00 0.00 N ATOM 1074 CA LYS A 73 5.163 -2.835 -8.527 1.00 0.00 C ATOM 1075 C LYS A 73 4.929 -1.475 -7.875 1.00 0.00 C ATOM 1076 O LYS A 73 4.224 -0.627 -8.422 1.00 0.00 O ATOM 1077 CB LYS A 73 3.971 -3.198 -9.413 1.00 0.00 C ATOM 1078 CG LYS A 73 3.991 -4.638 -9.899 1.00 0.00 C ATOM 1079 CD LYS A 73 4.920 -4.812 -11.088 1.00 0.00 C ATOM 1080 CE LYS A 73 4.714 -6.156 -11.765 1.00 0.00 C ATOM 1081 NZ LYS A 73 5.162 -7.286 -10.906 1.00 0.00 N ATOM 0 H LYS A 73 4.525 -4.256 -7.122 1.00 0.00 H new ATOM 0 HA LYS A 73 6.061 -2.771 -9.141 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.050 -3.023 -8.858 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.954 -2.532 -10.276 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.310 -5.292 -9.088 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.982 -4.943 -10.177 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.746 -4.011 -11.807 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.955 -4.725 -10.758 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.659 -6.282 -12.009 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.263 -6.176 -12.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.004 -8.185 -11.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.175 -7.181 -10.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.620 -7.283 -10.018 1.00 0.00 H new ATOM 1095 N LEU A 74 5.526 -1.270 -6.705 1.00 0.00 N ATOM 1096 CA LEU A 74 5.381 -0.010 -5.985 1.00 0.00 C ATOM 1097 C LEU A 74 6.692 0.769 -5.984 1.00 0.00 C ATOM 1098 O LEU A 74 7.772 0.187 -5.875 1.00 0.00 O ATOM 1099 CB LEU A 74 4.927 -0.266 -4.546 1.00 0.00 C ATOM 1100 CG LEU A 74 3.437 -0.570 -4.383 1.00 0.00 C ATOM 1101 CD1 LEU A 74 3.153 -1.121 -2.994 1.00 0.00 C ATOM 1102 CD2 LEU A 74 2.608 0.679 -4.642 1.00 0.00 C ATOM 0 H LEU A 74 6.114 -1.959 -6.236 1.00 0.00 H new ATOM 0 HA LEU A 74 4.624 0.585 -6.496 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.499 -1.102 -4.144 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.172 0.608 -3.943 1.00 0.00 H new ATOM 0 HG LEU A 74 3.158 -1.327 -5.116 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.088 -1.331 -2.897 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.719 -2.040 -2.844 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.448 -0.387 -2.244 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.550 0.445 -4.522 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.890 1.457 -3.933 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.789 1.031 -5.658 1.00 0.00 H new ATOM 1114 N THR A 75 6.592 2.088 -6.111 1.00 0.00 N ATOM 1115 CA THR A 75 7.771 2.947 -6.126 1.00 0.00 C ATOM 1116 C THR A 75 7.807 3.844 -4.893 1.00 0.00 C ATOM 1117 O THR A 75 6.782 4.084 -4.257 1.00 0.00 O ATOM 1118 CB THR A 75 7.786 3.801 -7.396 1.00 0.00 C ATOM 1119 OG1 THR A 75 6.479 3.944 -7.922 1.00 0.00 O ATOM 1120 CG2 THR A 75 8.662 3.228 -8.490 1.00 0.00 C ATOM 0 H THR A 75 5.707 2.586 -6.205 1.00 0.00 H new ATOM 0 HA THR A 75 8.656 2.311 -6.113 1.00 0.00 H new ATOM 0 HB THR A 75 8.194 4.765 -7.091 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.860 4.181 -7.200 1.00 0.00 H new ATOM 0 HG21 THR A 75 8.629 3.881 -9.362 1.00 0.00 H new ATOM 0 HG22 THR A 75 9.689 3.153 -8.132 1.00 0.00 H new ATOM 0 HG23 THR A 75 8.300 2.237 -8.764 1.00 0.00 H new ATOM 1128 N ARG A 76 8.997 4.338 -4.563 1.00 0.00 N ATOM 1129 CA ARG A 76 9.168 5.209 -3.406 1.00 0.00 C ATOM 1130 C ARG A 76 9.292 6.667 -3.838 1.00 0.00 C ATOM 1131 O ARG A 76 10.299 7.069 -4.419 1.00 0.00 O ATOM 1132 CB ARG A 76 10.405 4.793 -2.607 1.00 0.00 C ATOM 1133 CG ARG A 76 10.093 3.872 -1.439 1.00 0.00 C ATOM 1134 CD ARG A 76 11.356 3.460 -0.701 1.00 0.00 C ATOM 1135 NE ARG A 76 11.808 2.126 -1.093 1.00 0.00 N ATOM 1136 CZ ARG A 76 12.652 1.388 -0.374 1.00 0.00 C ATOM 1137 NH1 ARG A 76 13.137 1.850 0.772 1.00 0.00 N ATOM 1138 NH2 ARG A 76 13.010 0.186 -0.803 1.00 0.00 N ATOM 0 H ARG A 76 9.856 4.150 -5.080 1.00 0.00 H new ATOM 0 HA ARG A 76 8.286 5.110 -2.773 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.108 4.294 -3.275 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.902 5.687 -2.231 1.00 0.00 H new ATOM 0 HG2 ARG A 76 9.415 4.375 -0.749 1.00 0.00 H new ATOM 0 HG3 ARG A 76 9.577 2.984 -1.803 1.00 0.00 H new ATOM 0 HD2 ARG A 76 12.146 4.184 -0.902 1.00 0.00 H new ATOM 0 HD3 ARG A 76 11.171 3.479 0.373 1.00 0.00 H new ATOM 0 HE ARG A 76 11.456 1.738 -1.968 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.864 2.774 1.106 1.00 0.00 H new ATOM 0 HH12 ARG A 76 13.783 1.281 1.319 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.639 -0.173 -1.683 1.00 0.00 H new ATOM 0 HH22 ARG A 76 13.656 -0.380 -0.253 1.00 0.00 H new ATOM 1152 N LYS A 77 8.260 7.453 -3.549 1.00 0.00 N ATOM 1153 CA LYS A 77 8.252 8.867 -3.906 1.00 0.00 C ATOM 1154 C LYS A 77 8.351 9.047 -5.417 1.00 0.00 C ATOM 1155 O LYS A 77 8.399 8.072 -6.167 1.00 0.00 O ATOM 1156 CB LYS A 77 9.408 9.595 -3.215 1.00 0.00 C ATOM 1157 CG LYS A 77 9.005 10.285 -1.922 1.00 0.00 C ATOM 1158 CD LYS A 77 10.121 10.231 -0.890 1.00 0.00 C ATOM 1159 CE LYS A 77 9.693 10.857 0.429 1.00 0.00 C ATOM 1160 NZ LYS A 77 10.715 11.808 0.948 1.00 0.00 N ATOM 0 H LYS A 77 7.418 7.135 -3.069 1.00 0.00 H new ATOM 0 HA LYS A 77 7.309 9.297 -3.569 1.00 0.00 H new ATOM 0 HB2 LYS A 77 10.202 8.879 -3.003 1.00 0.00 H new ATOM 0 HB3 LYS A 77 9.821 10.336 -3.899 1.00 0.00 H new ATOM 0 HG2 LYS A 77 8.748 11.324 -2.128 1.00 0.00 H new ATOM 0 HG3 LYS A 77 8.111 9.810 -1.518 1.00 0.00 H new ATOM 0 HD2 LYS A 77 10.414 9.194 -0.724 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.998 10.752 -1.274 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.746 11.380 0.293 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.521 10.072 1.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 10.387 12.213 1.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 11.612 11.304 1.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 10.861 12.571 0.257 1.00 0.00 H new