USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 408 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 14 GLN : amide:sc= -3.7! K(o=-7.3!,f=-2.2) USER MOD Set 1.2: A 45 GLN : amide:sc= -3.58 K(o=-7.3,f=-6.1!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 13 SER OG : rot 77:sc= 0.0714 USER MOD Single : A 18 THR OG1 : rot -16:sc= 0.606 USER MOD Single : A 19 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.163) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= -2.22! K(o=-2.2!,f=-0.56) USER MOD Single : A 26 ASN : amide:sc= -0.88 K(o=-0.88,f=-4.3!) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 167:sc= -0.0171 (180deg=-0.193) USER MOD Single : A 36 SER OG : rot 59:sc= 0.225 USER MOD Single : A 39 LYS NZ :NH3+ -166:sc= -0.0411 (180deg=-0.252) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.090 15.979 -1.769 1.00 0.00 N ATOM 2 CA GLY A 1 19.730 16.137 -2.355 1.00 0.00 C ATOM 3 C GLY A 1 18.821 14.966 -2.037 1.00 0.00 C ATOM 4 O GLY A 1 19.139 13.820 -2.357 1.00 0.00 O ATOM 0 H1 GLY A 1 21.672 16.805 -2.015 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.016 15.904 -0.734 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.533 15.118 -2.148 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.280 17.055 -1.978 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.814 16.244 -3.436 1.00 0.00 H new ATOM 10 N ARG A 2 17.687 15.255 -1.405 1.00 0.00 N ATOM 11 CA ARG A 2 16.728 14.219 -1.040 1.00 0.00 C ATOM 12 C ARG A 2 16.090 13.605 -2.281 1.00 0.00 C ATOM 13 O ARG A 2 16.157 14.170 -3.372 1.00 0.00 O ATOM 14 CB ARG A 2 15.640 14.792 -0.128 1.00 0.00 C ATOM 15 CG ARG A 2 16.060 14.918 1.329 1.00 0.00 C ATOM 16 CD ARG A 2 17.172 15.939 1.511 1.00 0.00 C ATOM 17 NE ARG A 2 17.562 16.078 2.912 1.00 0.00 N ATOM 18 CZ ARG A 2 18.713 16.612 3.308 1.00 0.00 C ATOM 19 NH1 ARG A 2 19.591 17.044 2.413 1.00 0.00 N ATOM 20 NH2 ARG A 2 18.989 16.710 4.602 1.00 0.00 N ATOM 0 H ARG A 2 17.410 16.199 -1.135 1.00 0.00 H new ATOM 0 HA ARG A 2 17.268 13.438 -0.504 1.00 0.00 H new ATOM 0 HB2 ARG A 2 15.350 15.775 -0.499 1.00 0.00 H new ATOM 0 HB3 ARG A 2 14.757 14.155 -0.188 1.00 0.00 H new ATOM 0 HG2 ARG A 2 15.199 15.207 1.932 1.00 0.00 H new ATOM 0 HG3 ARG A 2 16.394 13.948 1.696 1.00 0.00 H new ATOM 0 HD2 ARG A 2 18.039 15.640 0.921 1.00 0.00 H new ATOM 0 HD3 ARG A 2 16.843 16.905 1.128 1.00 0.00 H new ATOM 0 HE ARG A 2 16.914 15.746 3.627 1.00 0.00 H new ATOM 0 HH11 ARG A 2 19.384 16.967 1.417 1.00 0.00 H new ATOM 0 HH12 ARG A 2 20.473 17.453 2.720 1.00 0.00 H new ATOM 0 HH21 ARG A 2 18.318 16.375 5.293 1.00 0.00 H new ATOM 0 HH22 ARG A 2 19.872 17.120 4.905 1.00 0.00 H new ATOM 34 N ARG A 3 15.473 12.442 -2.103 1.00 0.00 N ATOM 35 CA ARG A 3 14.821 11.744 -3.204 1.00 0.00 C ATOM 36 C ARG A 3 13.322 12.027 -3.212 1.00 0.00 C ATOM 37 O ARG A 3 12.691 12.113 -2.159 1.00 0.00 O ATOM 38 CB ARG A 3 15.068 10.237 -3.094 1.00 0.00 C ATOM 39 CG ARG A 3 14.470 9.431 -4.237 1.00 0.00 C ATOM 40 CD ARG A 3 15.100 9.798 -5.573 1.00 0.00 C ATOM 41 NE ARG A 3 14.545 9.013 -6.671 1.00 0.00 N ATOM 42 CZ ARG A 3 14.642 9.363 -7.951 1.00 0.00 C ATOM 43 NH1 ARG A 3 15.267 10.481 -8.291 1.00 0.00 N ATOM 44 NH2 ARG A 3 14.112 8.592 -8.891 1.00 0.00 N ATOM 0 H ARG A 3 15.411 11.962 -1.205 1.00 0.00 H new ATOM 0 HA ARG A 3 15.246 12.108 -4.139 1.00 0.00 H new ATOM 0 HB2 ARG A 3 16.142 10.056 -3.058 1.00 0.00 H new ATOM 0 HB3 ARG A 3 14.652 9.878 -2.152 1.00 0.00 H new ATOM 0 HG2 ARG A 3 14.614 8.367 -4.047 1.00 0.00 H new ATOM 0 HG3 ARG A 3 13.395 9.605 -4.281 1.00 0.00 H new ATOM 0 HD2 ARG A 3 14.943 10.859 -5.769 1.00 0.00 H new ATOM 0 HD3 ARG A 3 16.177 9.640 -5.522 1.00 0.00 H new ATOM 0 HE ARG A 3 14.055 8.147 -6.444 1.00 0.00 H new ATOM 0 HH11 ARG A 3 15.676 11.076 -7.570 1.00 0.00 H new ATOM 0 HH12 ARG A 3 15.340 10.746 -9.273 1.00 0.00 H new ATOM 0 HH21 ARG A 3 13.630 7.731 -8.633 1.00 0.00 H new ATOM 0 HH22 ARG A 3 14.186 8.860 -9.872 1.00 0.00 H new ATOM 58 N ARG A 4 12.762 12.171 -4.411 1.00 0.00 N ATOM 59 CA ARG A 4 11.337 12.444 -4.565 1.00 0.00 C ATOM 60 C ARG A 4 10.497 11.363 -3.893 1.00 0.00 C ATOM 61 O ARG A 4 10.903 10.202 -3.826 1.00 0.00 O ATOM 62 CB ARG A 4 10.975 12.550 -6.052 1.00 0.00 C ATOM 63 CG ARG A 4 11.412 11.353 -6.885 1.00 0.00 C ATOM 64 CD ARG A 4 10.360 10.254 -6.890 1.00 0.00 C ATOM 65 NE ARG A 4 10.734 9.142 -7.761 1.00 0.00 N ATOM 66 CZ ARG A 4 10.014 8.031 -7.890 1.00 0.00 C ATOM 67 NH1 ARG A 4 8.886 7.882 -7.209 1.00 0.00 N ATOM 68 NH2 ARG A 4 10.423 7.068 -8.705 1.00 0.00 N ATOM 0 H ARG A 4 13.275 12.103 -5.290 1.00 0.00 H new ATOM 0 HA ARG A 4 11.119 13.395 -4.079 1.00 0.00 H new ATOM 0 HB2 ARG A 4 9.895 12.669 -6.145 1.00 0.00 H new ATOM 0 HB3 ARG A 4 11.431 13.451 -6.463 1.00 0.00 H new ATOM 0 HG2 ARG A 4 11.607 11.674 -7.908 1.00 0.00 H new ATOM 0 HG3 ARG A 4 12.348 10.958 -6.491 1.00 0.00 H new ATOM 0 HD2 ARG A 4 10.215 9.886 -5.874 1.00 0.00 H new ATOM 0 HD3 ARG A 4 9.406 10.667 -7.218 1.00 0.00 H new ATOM 0 HE ARG A 4 11.596 9.222 -8.301 1.00 0.00 H new ATOM 0 HH11 ARG A 4 8.567 8.621 -6.583 1.00 0.00 H new ATOM 0 HH12 ARG A 4 8.337 7.028 -7.311 1.00 0.00 H new ATOM 0 HH21 ARG A 4 11.289 7.180 -9.232 1.00 0.00 H new ATOM 0 HH22 ARG A 4 9.872 6.216 -8.805 1.00 0.00 H new ATOM 82 N ARG A 5 9.330 11.754 -3.391 1.00 0.00 N ATOM 83 CA ARG A 5 8.431 10.818 -2.723 1.00 0.00 C ATOM 84 C ARG A 5 7.237 10.486 -3.611 1.00 0.00 C ATOM 85 O ARG A 5 6.988 9.322 -3.923 1.00 0.00 O ATOM 86 CB ARG A 5 7.950 11.403 -1.392 1.00 0.00 C ATOM 87 CG ARG A 5 7.045 10.468 -0.602 1.00 0.00 C ATOM 88 CD ARG A 5 7.785 9.217 -0.156 1.00 0.00 C ATOM 89 NE ARG A 5 8.949 9.536 0.667 1.00 0.00 N ATOM 90 CZ ARG A 5 9.950 8.690 0.891 1.00 0.00 C ATOM 91 NH1 ARG A 5 9.934 7.476 0.355 1.00 0.00 N ATOM 92 NH2 ARG A 5 10.972 9.057 1.653 1.00 0.00 N ATOM 0 H ARG A 5 8.984 12.713 -3.434 1.00 0.00 H new ATOM 0 HA ARG A 5 8.981 9.897 -2.528 1.00 0.00 H new ATOM 0 HB2 ARG A 5 8.817 11.655 -0.782 1.00 0.00 H new ATOM 0 HB3 ARG A 5 7.415 12.333 -1.586 1.00 0.00 H new ATOM 0 HG2 ARG A 5 6.654 10.991 0.271 1.00 0.00 H new ATOM 0 HG3 ARG A 5 6.189 10.186 -1.215 1.00 0.00 H new ATOM 0 HD2 ARG A 5 7.107 8.576 0.407 1.00 0.00 H new ATOM 0 HD3 ARG A 5 8.104 8.652 -1.032 1.00 0.00 H new ATOM 0 HE ARG A 5 8.997 10.461 1.094 1.00 0.00 H new ATOM 0 HH11 ARG A 5 9.151 7.188 -0.232 1.00 0.00 H new ATOM 0 HH12 ARG A 5 10.705 6.831 0.530 1.00 0.00 H new ATOM 0 HH21 ARG A 5 10.990 9.989 2.068 1.00 0.00 H new ATOM 0 HH22 ARG A 5 11.739 8.407 1.824 1.00 0.00 H new ATOM 106 N SER A 6 6.500 11.518 -4.013 1.00 0.00 N ATOM 107 CA SER A 6 5.333 11.338 -4.870 1.00 0.00 C ATOM 108 C SER A 6 5.460 12.175 -6.136 1.00 0.00 C ATOM 109 O SER A 6 5.953 13.303 -6.098 1.00 0.00 O ATOM 110 CB SER A 6 4.054 11.719 -4.121 1.00 0.00 C ATOM 111 OG SER A 6 3.890 10.931 -2.955 1.00 0.00 O ATOM 0 H SER A 6 6.691 12.487 -3.759 1.00 0.00 H new ATOM 0 HA SER A 6 5.279 10.286 -5.150 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.089 12.774 -3.848 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.193 11.588 -4.776 1.00 0.00 H new ATOM 0 HG SER A 6 3.067 11.196 -2.494 1.00 0.00 H new ATOM 117 N VAL A 7 5.015 11.617 -7.256 1.00 0.00 N ATOM 118 CA VAL A 7 5.080 12.314 -8.534 1.00 0.00 C ATOM 119 C VAL A 7 3.706 12.359 -9.197 1.00 0.00 C ATOM 120 O VAL A 7 2.682 12.193 -8.535 1.00 0.00 O ATOM 121 CB VAL A 7 6.091 11.651 -9.493 1.00 0.00 C ATOM 122 CG1 VAL A 7 6.884 12.708 -10.250 1.00 0.00 C ATOM 123 CG2 VAL A 7 7.029 10.723 -8.734 1.00 0.00 C ATOM 0 H VAL A 7 4.605 10.684 -7.304 1.00 0.00 H new ATOM 0 HA VAL A 7 5.415 13.330 -8.327 1.00 0.00 H new ATOM 0 HB VAL A 7 5.533 11.055 -10.215 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.591 12.221 -10.921 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.201 13.328 -10.831 1.00 0.00 H new ATOM 0 HG13 VAL A 7 7.428 13.332 -9.541 1.00 0.00 H new ATOM 0 HG21 VAL A 7 7.732 10.267 -9.431 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.578 11.294 -7.985 1.00 0.00 H new ATOM 0 HG23 VAL A 7 6.449 9.942 -8.242 1.00 0.00 H new ATOM 133 N GLN A 8 3.691 12.584 -10.506 1.00 0.00 N ATOM 134 CA GLN A 8 2.446 12.671 -11.261 1.00 0.00 C ATOM 135 C GLN A 8 2.328 11.547 -12.287 1.00 0.00 C ATOM 136 O GLN A 8 2.116 11.799 -13.474 1.00 0.00 O ATOM 137 CB GLN A 8 2.377 14.023 -11.969 1.00 0.00 C ATOM 138 CG GLN A 8 3.612 14.321 -12.799 1.00 0.00 C ATOM 139 CD GLN A 8 3.570 15.694 -13.441 1.00 0.00 C ATOM 140 OE1 GLN A 8 2.499 16.215 -13.749 1.00 0.00 O ATOM 141 NE2 GLN A 8 4.741 16.287 -13.645 1.00 0.00 N ATOM 0 H GLN A 8 4.532 12.710 -11.069 1.00 0.00 H new ATOM 0 HA GLN A 8 1.617 12.570 -10.560 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.499 14.045 -12.614 1.00 0.00 H new ATOM 0 HB3 GLN A 8 2.247 14.810 -11.226 1.00 0.00 H new ATOM 0 HG2 GLN A 8 4.496 14.248 -12.166 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.713 13.564 -13.577 1.00 0.00 H new ATOM 0 HE21 GLN A 8 5.605 15.817 -13.374 1.00 0.00 H new ATOM 0 HE22 GLN A 8 4.776 17.212 -14.073 1.00 0.00 H new ATOM 150 N TRP A 9 2.467 10.306 -11.834 1.00 0.00 N ATOM 151 CA TRP A 9 2.370 9.160 -12.736 1.00 0.00 C ATOM 152 C TRP A 9 1.753 7.938 -12.055 1.00 0.00 C ATOM 153 O TRP A 9 1.210 8.032 -10.955 1.00 0.00 O ATOM 154 CB TRP A 9 3.740 8.812 -13.335 1.00 0.00 C ATOM 155 CG TRP A 9 4.831 8.574 -12.330 1.00 0.00 C ATOM 156 CD1 TRP A 9 4.772 8.746 -10.976 1.00 0.00 C ATOM 157 CD2 TRP A 9 6.158 8.119 -12.616 1.00 0.00 C ATOM 158 NE1 TRP A 9 5.979 8.432 -10.408 1.00 0.00 N ATOM 159 CE2 TRP A 9 6.846 8.039 -11.391 1.00 0.00 C ATOM 160 CE3 TRP A 9 6.832 7.769 -13.790 1.00 0.00 C ATOM 161 CZ2 TRP A 9 8.171 7.625 -11.306 1.00 0.00 C ATOM 162 CZ3 TRP A 9 8.149 7.357 -13.705 1.00 0.00 C ATOM 163 CH2 TRP A 9 8.806 7.288 -12.470 1.00 0.00 C ATOM 0 H TRP A 9 2.645 10.067 -10.859 1.00 0.00 H new ATOM 0 HA TRP A 9 1.701 9.451 -13.546 1.00 0.00 H new ATOM 0 HB2 TRP A 9 3.634 7.920 -13.952 1.00 0.00 H new ATOM 0 HB3 TRP A 9 4.047 9.622 -13.997 1.00 0.00 H new ATOM 0 HD1 TRP A 9 3.901 9.081 -10.432 1.00 0.00 H new ATOM 0 HE1 TRP A 9 6.196 8.483 -9.413 1.00 0.00 H new ATOM 0 HE3 TRP A 9 6.333 7.820 -14.746 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 8.680 7.571 -10.355 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 8.680 7.084 -14.605 1.00 0.00 H new ATOM 0 HH2 TRP A 9 9.835 6.962 -12.436 1.00 0.00 H new ATOM 174 N CYS A 10 1.840 6.794 -12.729 1.00 0.00 N ATOM 175 CA CYS A 10 1.279 5.541 -12.227 1.00 0.00 C ATOM 176 C CYS A 10 1.802 5.176 -10.836 1.00 0.00 C ATOM 177 O CYS A 10 1.100 4.527 -10.060 1.00 0.00 O ATOM 178 CB CYS A 10 1.589 4.411 -13.209 1.00 0.00 C ATOM 179 SG CYS A 10 1.054 2.764 -12.647 1.00 0.00 S ATOM 0 H CYS A 10 2.300 6.709 -13.636 1.00 0.00 H new ATOM 0 HA CYS A 10 0.202 5.681 -12.138 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.108 4.631 -14.162 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.663 4.389 -13.392 1.00 0.00 H new ATOM 184 N ALA A 11 3.029 5.586 -10.525 1.00 0.00 N ATOM 185 CA ALA A 11 3.628 5.275 -9.227 1.00 0.00 C ATOM 186 C ALA A 11 2.700 5.642 -8.072 1.00 0.00 C ATOM 187 O ALA A 11 2.403 4.808 -7.216 1.00 0.00 O ATOM 188 CB ALA A 11 4.965 5.978 -9.072 1.00 0.00 C ATOM 0 H ALA A 11 3.625 6.131 -11.148 1.00 0.00 H new ATOM 0 HA ALA A 11 3.789 4.197 -9.194 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.394 5.734 -8.100 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.642 5.650 -9.860 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.820 7.056 -9.144 1.00 0.00 H new ATOM 194 N VAL A 12 2.245 6.892 -8.050 1.00 0.00 N ATOM 195 CA VAL A 12 1.354 7.359 -6.994 1.00 0.00 C ATOM 196 C VAL A 12 -0.051 6.793 -7.170 1.00 0.00 C ATOM 197 O VAL A 12 -0.859 6.814 -6.241 1.00 0.00 O ATOM 198 CB VAL A 12 1.278 8.896 -6.957 1.00 0.00 C ATOM 199 CG1 VAL A 12 2.614 9.485 -6.535 1.00 0.00 C ATOM 200 CG2 VAL A 12 0.849 9.447 -8.308 1.00 0.00 C ATOM 0 H VAL A 12 2.478 7.597 -8.749 1.00 0.00 H new ATOM 0 HA VAL A 12 1.770 7.004 -6.051 1.00 0.00 H new ATOM 0 HB VAL A 12 0.528 9.185 -6.221 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.542 10.572 -6.514 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.875 9.120 -5.542 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.384 9.186 -7.246 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.802 10.535 -8.259 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.571 9.149 -9.068 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.134 9.053 -8.566 1.00 0.00 H new ATOM 210 N SER A 13 -0.335 6.291 -8.368 1.00 0.00 N ATOM 211 CA SER A 13 -1.641 5.715 -8.665 1.00 0.00 C ATOM 212 C SER A 13 -1.730 4.285 -8.144 1.00 0.00 C ATOM 213 O SER A 13 -2.821 3.740 -7.978 1.00 0.00 O ATOM 214 CB SER A 13 -1.899 5.737 -10.172 1.00 0.00 C ATOM 215 OG SER A 13 -1.864 7.061 -10.677 1.00 0.00 O ATOM 0 H SER A 13 0.322 6.272 -9.148 1.00 0.00 H new ATOM 0 HA SER A 13 -2.401 6.316 -8.165 1.00 0.00 H new ATOM 0 HB2 SER A 13 -1.150 5.131 -10.681 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.870 5.289 -10.384 1.00 0.00 H new ATOM 0 HG SER A 13 -0.933 7.355 -10.759 1.00 0.00 H new ATOM 221 N GLN A 14 -0.570 3.686 -7.891 1.00 0.00 N ATOM 222 CA GLN A 14 -0.507 2.319 -7.389 1.00 0.00 C ATOM 223 C GLN A 14 0.395 2.236 -6.157 1.00 0.00 C ATOM 224 O GLN A 14 1.592 1.973 -6.273 1.00 0.00 O ATOM 225 CB GLN A 14 0.007 1.378 -8.483 1.00 0.00 C ATOM 226 CG GLN A 14 0.241 -0.049 -8.010 1.00 0.00 C ATOM 227 CD GLN A 14 0.507 -1.007 -9.156 1.00 0.00 C ATOM 228 OE1 GLN A 14 -0.417 -1.610 -9.701 1.00 0.00 O ATOM 229 NE2 GLN A 14 1.773 -1.148 -9.529 1.00 0.00 N ATOM 0 H GLN A 14 0.340 4.127 -8.026 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.512 2.012 -7.101 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.710 1.365 -9.304 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.940 1.776 -8.881 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.087 -0.066 -7.323 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -0.630 -0.390 -7.451 1.00 0.00 H new ATOM 0 HE21 GLN A 14 2.507 -0.628 -9.049 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.012 -1.776 -10.296 1.00 0.00 H new ATOM 238 N PRO A 15 -0.166 2.471 -4.954 1.00 0.00 N ATOM 239 CA PRO A 15 0.598 2.411 -3.704 1.00 0.00 C ATOM 240 C PRO A 15 1.184 1.025 -3.460 1.00 0.00 C ATOM 241 O PRO A 15 2.083 0.856 -2.635 1.00 0.00 O ATOM 242 CB PRO A 15 -0.436 2.752 -2.623 1.00 0.00 C ATOM 243 CG PRO A 15 -1.544 3.436 -3.348 1.00 0.00 C ATOM 244 CD PRO A 15 -1.577 2.822 -4.717 1.00 0.00 C ATOM 0 HA PRO A 15 1.450 3.090 -3.717 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -0.791 1.853 -2.119 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -0.007 3.399 -1.857 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.494 3.295 -2.833 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.369 4.510 -3.405 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.223 1.945 -4.751 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.950 3.522 -5.465 1.00 0.00 H new ATOM 252 N GLU A 16 0.668 0.037 -4.184 1.00 0.00 N ATOM 253 CA GLU A 16 1.138 -1.336 -4.052 1.00 0.00 C ATOM 254 C GLU A 16 2.263 -1.628 -5.042 1.00 0.00 C ATOM 255 O GLU A 16 2.626 -2.784 -5.257 1.00 0.00 O ATOM 256 CB GLU A 16 -0.015 -2.319 -4.263 1.00 0.00 C ATOM 257 CG GLU A 16 -0.930 -2.456 -3.056 1.00 0.00 C ATOM 258 CD GLU A 16 -1.532 -1.133 -2.622 1.00 0.00 C ATOM 259 OE1 GLU A 16 -2.610 -0.773 -3.139 1.00 0.00 O ATOM 260 OE2 GLU A 16 -0.926 -0.459 -1.764 1.00 0.00 O ATOM 0 H GLU A 16 -0.077 0.163 -4.869 1.00 0.00 H new ATOM 0 HA GLU A 16 1.529 -1.461 -3.042 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.605 -1.995 -5.120 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.395 -3.298 -4.510 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.732 -3.155 -3.291 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.368 -2.884 -2.226 1.00 0.00 H new ATOM 267 N ALA A 17 2.810 -0.574 -5.643 1.00 0.00 N ATOM 268 CA ALA A 17 3.900 -0.725 -6.600 1.00 0.00 C ATOM 269 C ALA A 17 5.222 -0.928 -5.872 1.00 0.00 C ATOM 270 O ALA A 17 6.291 -0.937 -6.483 1.00 0.00 O ATOM 271 CB ALA A 17 3.980 0.484 -7.519 1.00 0.00 C ATOM 0 H ALA A 17 2.517 0.390 -5.484 1.00 0.00 H new ATOM 0 HA ALA A 17 3.700 -1.606 -7.210 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.800 0.351 -8.225 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.043 0.588 -8.066 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.155 1.381 -6.925 1.00 0.00 H new ATOM 277 N THR A 18 5.131 -1.093 -4.559 1.00 0.00 N ATOM 278 CA THR A 18 6.305 -1.300 -3.724 1.00 0.00 C ATOM 279 C THR A 18 6.072 -2.438 -2.738 1.00 0.00 C ATOM 280 O THR A 18 7.006 -2.914 -2.093 1.00 0.00 O ATOM 281 CB THR A 18 6.674 -0.023 -2.944 1.00 0.00 C ATOM 282 OG1 THR A 18 7.807 -0.272 -2.103 1.00 0.00 O ATOM 283 CG2 THR A 18 5.503 0.452 -2.095 1.00 0.00 C ATOM 0 H THR A 18 4.249 -1.087 -4.047 1.00 0.00 H new ATOM 0 HA THR A 18 7.130 -1.557 -4.388 1.00 0.00 H new ATOM 0 HB THR A 18 6.920 0.757 -3.665 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.934 -1.239 -2.004 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.788 1.354 -1.554 1.00 0.00 H new ATOM 0 HG22 THR A 18 4.651 0.669 -2.739 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.230 -0.327 -1.383 1.00 0.00 H new ATOM 291 N LYS A 19 4.818 -2.870 -2.627 1.00 0.00 N ATOM 292 CA LYS A 19 4.468 -3.955 -1.720 1.00 0.00 C ATOM 293 C LYS A 19 4.966 -5.293 -2.256 1.00 0.00 C ATOM 294 O LYS A 19 4.896 -6.306 -1.571 1.00 0.00 O ATOM 295 CB LYS A 19 2.955 -4.014 -1.492 1.00 0.00 C ATOM 296 CG LYS A 19 2.543 -5.097 -0.506 1.00 0.00 C ATOM 297 CD LYS A 19 1.037 -5.305 -0.493 1.00 0.00 C ATOM 298 CE LYS A 19 0.401 -4.673 0.734 1.00 0.00 C ATOM 299 NZ LYS A 19 0.746 -3.229 0.857 1.00 0.00 N ATOM 0 H LYS A 19 4.032 -2.486 -3.152 1.00 0.00 H new ATOM 0 HA LYS A 19 4.955 -3.757 -0.765 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.611 -3.047 -1.126 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.456 -4.190 -2.445 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.037 -6.033 -0.767 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.881 -4.826 0.494 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.601 -4.874 -1.394 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.815 -6.372 -0.511 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.682 -4.784 0.680 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.731 -5.203 1.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.096 -2.773 1.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.723 -3.134 1.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.661 -2.771 -0.073 1.00 0.00 H new ATOM 313 N CYS A 20 5.455 -5.293 -3.490 1.00 0.00 N ATOM 314 CA CYS A 20 5.982 -6.509 -4.100 1.00 0.00 C ATOM 315 C CYS A 20 7.225 -6.967 -3.340 1.00 0.00 C ATOM 316 O CYS A 20 8.353 -6.796 -3.804 1.00 0.00 O ATOM 317 CB CYS A 20 6.306 -6.253 -5.577 1.00 0.00 C ATOM 318 SG CYS A 20 7.180 -7.613 -6.424 1.00 0.00 S ATOM 0 H CYS A 20 5.498 -4.467 -4.087 1.00 0.00 H new ATOM 0 HA CYS A 20 5.233 -7.299 -4.047 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.375 -6.054 -6.108 1.00 0.00 H new ATOM 0 HB3 CYS A 20 6.914 -5.351 -5.649 1.00 0.00 H new ATOM 323 N PHE A 21 7.005 -7.550 -2.161 1.00 0.00 N ATOM 324 CA PHE A 21 8.096 -8.011 -1.314 1.00 0.00 C ATOM 325 C PHE A 21 7.907 -9.478 -0.904 1.00 0.00 C ATOM 326 O PHE A 21 7.922 -10.364 -1.758 1.00 0.00 O ATOM 327 CB PHE A 21 8.231 -7.096 -0.086 1.00 0.00 C ATOM 328 CG PHE A 21 6.942 -6.786 0.654 1.00 0.00 C ATOM 329 CD1 PHE A 21 5.889 -7.693 0.708 1.00 0.00 C ATOM 330 CD2 PHE A 21 6.800 -5.576 1.315 1.00 0.00 C ATOM 331 CE1 PHE A 21 4.732 -7.399 1.397 1.00 0.00 C ATOM 332 CE2 PHE A 21 5.641 -5.278 2.010 1.00 0.00 C ATOM 333 CZ PHE A 21 4.607 -6.191 2.051 1.00 0.00 C ATOM 0 H PHE A 21 6.076 -7.713 -1.773 1.00 0.00 H new ATOM 0 HA PHE A 21 9.023 -7.959 -1.886 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.927 -7.559 0.614 1.00 0.00 H new ATOM 0 HB3 PHE A 21 8.679 -6.155 -0.405 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.979 -8.643 0.202 1.00 0.00 H new ATOM 0 HD2 PHE A 21 7.605 -4.856 1.287 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.923 -8.114 1.425 1.00 0.00 H new ATOM 0 HE2 PHE A 21 5.546 -4.331 2.520 1.00 0.00 H new ATOM 0 HZ PHE A 21 3.702 -5.960 2.594 1.00 0.00 H new ATOM 343 N GLN A 22 7.739 -9.741 0.397 1.00 0.00 N ATOM 344 CA GLN A 22 7.531 -11.102 0.866 1.00 0.00 C ATOM 345 C GLN A 22 6.347 -11.186 1.816 1.00 0.00 C ATOM 346 O GLN A 22 6.280 -10.500 2.836 1.00 0.00 O ATOM 347 CB GLN A 22 8.770 -11.671 1.546 1.00 0.00 C ATOM 348 CG GLN A 22 8.735 -13.192 1.666 1.00 0.00 C ATOM 349 CD GLN A 22 9.850 -13.731 2.540 1.00 0.00 C ATOM 350 OE1 GLN A 22 9.691 -13.881 3.751 1.00 0.00 O ATOM 351 NE2 GLN A 22 10.990 -14.025 1.925 1.00 0.00 N ATOM 0 H GLN A 22 7.744 -9.033 1.131 1.00 0.00 H new ATOM 0 HA GLN A 22 7.321 -11.702 -0.020 1.00 0.00 H new ATOM 0 HB2 GLN A 22 9.655 -11.376 0.983 1.00 0.00 H new ATOM 0 HB3 GLN A 22 8.865 -11.235 2.540 1.00 0.00 H new ATOM 0 HG2 GLN A 22 7.774 -13.499 2.079 1.00 0.00 H new ATOM 0 HG3 GLN A 22 8.811 -13.634 0.672 1.00 0.00 H new ATOM 0 HE21 GLN A 22 11.077 -13.885 0.918 1.00 0.00 H new ATOM 0 HE22 GLN A 22 11.778 -14.391 2.459 1.00 0.00 H new ATOM 360 N TRP A 23 5.427 -12.045 1.443 1.00 0.00 N ATOM 361 CA TRP A 23 4.214 -12.305 2.182 1.00 0.00 C ATOM 362 C TRP A 23 4.262 -13.746 2.675 1.00 0.00 C ATOM 363 O TRP A 23 4.822 -14.036 3.733 1.00 0.00 O ATOM 364 CB TRP A 23 3.017 -12.074 1.246 1.00 0.00 C ATOM 365 CG TRP A 23 3.389 -11.254 0.047 1.00 0.00 C ATOM 366 CD1 TRP A 23 3.011 -9.983 -0.226 1.00 0.00 C ATOM 367 CD2 TRP A 23 4.228 -11.657 -1.034 1.00 0.00 C ATOM 368 NE1 TRP A 23 3.590 -9.550 -1.391 1.00 0.00 N ATOM 369 CE2 TRP A 23 4.342 -10.564 -1.908 1.00 0.00 C ATOM 370 CE3 TRP A 23 4.903 -12.834 -1.339 1.00 0.00 C ATOM 371 CZ2 TRP A 23 5.108 -10.613 -3.062 1.00 0.00 C ATOM 372 CZ3 TRP A 23 5.652 -12.888 -2.485 1.00 0.00 C ATOM 373 CH2 TRP A 23 5.757 -11.783 -3.337 1.00 0.00 C ATOM 0 H TRP A 23 5.505 -12.599 0.590 1.00 0.00 H new ATOM 0 HA TRP A 23 4.114 -11.642 3.041 1.00 0.00 H new ATOM 0 HB2 TRP A 23 2.622 -13.036 0.919 1.00 0.00 H new ATOM 0 HB3 TRP A 23 2.220 -11.572 1.795 1.00 0.00 H new ATOM 0 HD1 TRP A 23 2.347 -9.393 0.388 1.00 0.00 H new ATOM 0 HE1 TRP A 23 3.477 -8.624 -1.803 1.00 0.00 H new ATOM 0 HE3 TRP A 23 4.838 -13.690 -0.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 5.189 -9.759 -3.718 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 6.171 -13.801 -2.736 1.00 0.00 H new ATOM 0 HH2 TRP A 23 6.362 -11.857 -4.228 1.00 0.00 H new ATOM 384 N GLN A 24 3.670 -14.642 1.901 1.00 0.00 N ATOM 385 CA GLN A 24 3.683 -16.059 2.213 1.00 0.00 C ATOM 386 C GLN A 24 3.665 -16.859 0.913 1.00 0.00 C ATOM 387 O GLN A 24 3.434 -16.301 -0.155 1.00 0.00 O ATOM 388 CB GLN A 24 2.498 -16.433 3.113 1.00 0.00 C ATOM 389 CG GLN A 24 1.419 -17.246 2.418 1.00 0.00 C ATOM 390 CD GLN A 24 0.197 -17.455 3.292 1.00 0.00 C ATOM 391 OE1 GLN A 24 0.297 -17.492 4.519 1.00 0.00 O ATOM 392 NE2 GLN A 24 -0.965 -17.596 2.666 1.00 0.00 N ATOM 0 H GLN A 24 3.170 -14.407 1.044 1.00 0.00 H new ATOM 0 HA GLN A 24 4.593 -16.298 2.764 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.870 -16.999 3.967 1.00 0.00 H new ATOM 0 HB3 GLN A 24 2.052 -15.519 3.506 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.122 -16.740 1.499 1.00 0.00 H new ATOM 0 HG3 GLN A 24 1.827 -18.215 2.131 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -1.003 -17.559 1.647 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -1.820 -17.741 3.204 1.00 0.00 H new ATOM 401 N ARG A 25 3.927 -18.150 1.006 1.00 0.00 N ATOM 402 CA ARG A 25 3.908 -19.027 -0.165 1.00 0.00 C ATOM 403 C ARG A 25 2.706 -18.743 -1.063 1.00 0.00 C ATOM 404 O ARG A 25 2.844 -18.623 -2.280 1.00 0.00 O ATOM 405 CB ARG A 25 3.888 -20.485 0.285 1.00 0.00 C ATOM 406 CG ARG A 25 3.204 -20.690 1.627 1.00 0.00 C ATOM 407 CD ARG A 25 2.538 -22.050 1.720 1.00 0.00 C ATOM 408 NE ARG A 25 1.300 -21.989 2.493 1.00 0.00 N ATOM 409 CZ ARG A 25 0.790 -23.025 3.151 1.00 0.00 C ATOM 410 NH1 ARG A 25 1.414 -24.196 3.141 1.00 0.00 N ATOM 411 NH2 ARG A 25 -0.345 -22.890 3.824 1.00 0.00 N ATOM 0 H ARG A 25 4.157 -18.622 1.881 1.00 0.00 H new ATOM 0 HA ARG A 25 4.810 -18.832 -0.746 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.379 -21.084 -0.470 1.00 0.00 H new ATOM 0 HB3 ARG A 25 4.912 -20.853 0.347 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.937 -20.589 2.427 1.00 0.00 H new ATOM 0 HG3 ARG A 25 2.458 -19.909 1.778 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.324 -22.421 0.718 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.223 -22.760 2.183 1.00 0.00 H new ATOM 0 HE ARG A 25 0.799 -21.101 2.530 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.288 -24.304 2.627 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.019 -24.989 3.647 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.827 -21.991 3.837 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.736 -23.685 4.329 1.00 0.00 H new ATOM 425 N ASN A 26 1.534 -18.636 -0.457 1.00 0.00 N ATOM 426 CA ASN A 26 0.305 -18.354 -1.198 1.00 0.00 C ATOM 427 C ASN A 26 -0.526 -17.299 -0.472 1.00 0.00 C ATOM 428 O ASN A 26 -1.709 -17.501 -0.199 1.00 0.00 O ATOM 429 CB ASN A 26 -0.516 -19.630 -1.396 1.00 0.00 C ATOM 430 CG ASN A 26 -0.711 -20.411 -0.112 1.00 0.00 C ATOM 431 OD1 ASN A 26 0.082 -21.292 0.216 1.00 0.00 O ATOM 432 ND2 ASN A 26 -1.769 -20.092 0.622 1.00 0.00 N ATOM 0 H ASN A 26 1.403 -18.740 0.549 1.00 0.00 H new ATOM 0 HA ASN A 26 0.582 -17.968 -2.179 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.491 -19.369 -1.808 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -0.020 -20.265 -2.130 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -1.950 -20.585 1.497 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.401 -19.354 0.312 1.00 0.00 H new ATOM 439 N MET A 27 0.105 -16.165 -0.176 1.00 0.00 N ATOM 440 CA MET A 27 -0.560 -15.081 0.537 1.00 0.00 C ATOM 441 C MET A 27 -1.469 -14.274 -0.382 1.00 0.00 C ATOM 442 O MET A 27 -2.690 -14.412 -0.324 1.00 0.00 O ATOM 443 CB MET A 27 0.470 -14.161 1.191 1.00 0.00 C ATOM 444 CG MET A 27 -0.133 -13.152 2.158 1.00 0.00 C ATOM 445 SD MET A 27 -0.875 -11.735 1.326 1.00 0.00 S ATOM 446 CE MET A 27 -1.568 -10.850 2.720 1.00 0.00 C ATOM 0 H MET A 27 1.077 -15.974 -0.420 1.00 0.00 H new ATOM 0 HA MET A 27 -1.181 -15.533 1.310 1.00 0.00 H new ATOM 0 HB2 MET A 27 1.200 -14.770 1.724 1.00 0.00 H new ATOM 0 HB3 MET A 27 1.011 -13.625 0.411 1.00 0.00 H new ATOM 0 HG2 MET A 27 -0.891 -13.647 2.766 1.00 0.00 H new ATOM 0 HG3 MET A 27 0.643 -12.801 2.839 1.00 0.00 H new ATOM 0 HE1 MET A 27 -2.063 -9.945 2.367 1.00 0.00 H new ATOM 0 HE2 MET A 27 -2.293 -11.485 3.230 1.00 0.00 H new ATOM 0 HE3 MET A 27 -0.771 -10.580 3.413 1.00 0.00 H new ATOM 456 N ARG A 28 -0.880 -13.426 -1.231 1.00 0.00 N ATOM 457 CA ARG A 28 -1.683 -12.607 -2.129 1.00 0.00 C ATOM 458 C ARG A 28 -2.483 -13.498 -3.063 1.00 0.00 C ATOM 459 O ARG A 28 -1.921 -14.285 -3.826 1.00 0.00 O ATOM 460 CB ARG A 28 -0.814 -11.636 -2.931 1.00 0.00 C ATOM 461 CG ARG A 28 -1.609 -10.577 -3.682 1.00 0.00 C ATOM 462 CD ARG A 28 -2.306 -9.616 -2.731 1.00 0.00 C ATOM 463 NE ARG A 28 -3.128 -8.641 -3.445 1.00 0.00 N ATOM 464 CZ ARG A 28 -3.663 -7.566 -2.871 1.00 0.00 C ATOM 465 NH1 ARG A 28 -3.455 -7.325 -1.584 1.00 0.00 N ATOM 466 NH2 ARG A 28 -4.406 -6.731 -3.586 1.00 0.00 N ATOM 0 H ARG A 28 0.128 -13.293 -1.312 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.368 -12.012 -1.525 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.118 -11.142 -2.254 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.216 -12.203 -3.645 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -0.942 -10.019 -4.339 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.350 -11.061 -4.318 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.931 -10.180 -2.039 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.560 -9.093 -2.133 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.301 -8.793 -4.439 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.884 -7.964 -1.031 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.866 -6.500 -1.147 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.568 -6.913 -4.577 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.816 -5.907 -3.145 1.00 0.00 H new ATOM 480 N LYS A 29 -3.798 -13.380 -2.976 1.00 0.00 N ATOM 481 CA LYS A 29 -4.702 -14.176 -3.802 1.00 0.00 C ATOM 482 C LYS A 29 -4.692 -13.720 -5.260 1.00 0.00 C ATOM 483 O LYS A 29 -5.717 -13.772 -5.942 1.00 0.00 O ATOM 484 CB LYS A 29 -6.125 -14.123 -3.240 1.00 0.00 C ATOM 485 CG LYS A 29 -6.311 -14.949 -1.976 1.00 0.00 C ATOM 486 CD LYS A 29 -6.058 -16.428 -2.230 1.00 0.00 C ATOM 487 CE LYS A 29 -6.262 -17.255 -0.972 1.00 0.00 C ATOM 488 NZ LYS A 29 -7.671 -17.202 -0.497 1.00 0.00 N ATOM 0 H LYS A 29 -4.269 -12.738 -2.339 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.345 -15.206 -3.777 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.385 -13.086 -3.028 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.821 -14.477 -4.001 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.631 -14.591 -1.203 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.324 -14.812 -1.597 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.729 -16.783 -3.012 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.040 -16.566 -2.596 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.984 -18.290 -1.169 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.600 -16.891 -0.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.824 -17.940 0.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.862 -16.269 -0.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.314 -17.361 -1.299 1.00 0.00 H new ATOM 502 N VAL A 30 -3.532 -13.271 -5.732 1.00 0.00 N ATOM 503 CA VAL A 30 -3.382 -12.837 -7.115 1.00 0.00 C ATOM 504 C VAL A 30 -3.571 -14.019 -8.060 1.00 0.00 C ATOM 505 O VAL A 30 -4.085 -15.064 -7.658 1.00 0.00 O ATOM 506 CB VAL A 30 -1.998 -12.188 -7.365 1.00 0.00 C ATOM 507 CG1 VAL A 30 -2.074 -10.683 -7.168 1.00 0.00 C ATOM 508 CG2 VAL A 30 -0.933 -12.788 -6.451 1.00 0.00 C ATOM 0 H VAL A 30 -2.681 -13.199 -5.174 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.148 -12.086 -7.308 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.713 -12.395 -8.397 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.093 -10.243 -7.347 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.795 -10.260 -7.868 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.388 -10.465 -6.147 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.027 -12.312 -6.650 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.211 -12.622 -5.410 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.853 -13.859 -6.639 1.00 0.00 H new ATOM 518 N ARG A 31 -3.164 -13.846 -9.312 1.00 0.00 N ATOM 519 CA ARG A 31 -3.283 -14.908 -10.312 1.00 0.00 C ATOM 520 C ARG A 31 -2.839 -16.245 -9.722 1.00 0.00 C ATOM 521 O ARG A 31 -3.500 -17.269 -9.898 1.00 0.00 O ATOM 522 CB ARG A 31 -2.435 -14.568 -11.538 1.00 0.00 C ATOM 523 CG ARG A 31 -2.717 -13.186 -12.105 1.00 0.00 C ATOM 524 CD ARG A 31 -1.793 -12.864 -13.266 1.00 0.00 C ATOM 525 NE ARG A 31 -1.867 -13.874 -14.315 1.00 0.00 N ATOM 526 CZ ARG A 31 -1.476 -13.666 -15.569 1.00 0.00 C ATOM 527 NH1 ARG A 31 -0.967 -12.493 -15.922 1.00 0.00 N ATOM 528 NH2 ARG A 31 -1.589 -14.634 -16.469 1.00 0.00 N ATOM 0 H ARG A 31 -2.749 -12.982 -9.662 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.327 -14.990 -10.614 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.380 -14.634 -11.270 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.615 -15.314 -12.313 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.754 -13.132 -12.437 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.594 -12.438 -11.322 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.056 -11.890 -13.680 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.767 -12.790 -12.904 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.240 -14.792 -14.073 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.875 -11.748 -15.231 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.668 -12.336 -16.884 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.976 -15.538 -16.199 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.289 -14.474 -17.431 1.00 0.00 H new ATOM 542 N GLY A 32 -1.713 -16.212 -9.024 1.00 0.00 N ATOM 543 CA GLY A 32 -1.176 -17.395 -8.377 1.00 0.00 C ATOM 544 C GLY A 32 -0.497 -17.021 -7.075 1.00 0.00 C ATOM 545 O GLY A 32 -0.905 -16.049 -6.440 1.00 0.00 O ATOM 0 H GLY A 32 -1.152 -15.371 -8.892 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.978 -18.108 -8.185 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.463 -17.887 -9.038 1.00 0.00 H new ATOM 549 N PRO A 33 0.534 -17.763 -6.631 1.00 0.00 N ATOM 550 CA PRO A 33 1.247 -17.416 -5.403 1.00 0.00 C ATOM 551 C PRO A 33 1.705 -15.961 -5.461 1.00 0.00 C ATOM 552 O PRO A 33 2.053 -15.468 -6.535 1.00 0.00 O ATOM 553 CB PRO A 33 2.446 -18.369 -5.401 1.00 0.00 C ATOM 554 CG PRO A 33 2.009 -19.531 -6.226 1.00 0.00 C ATOM 555 CD PRO A 33 1.075 -18.977 -7.270 1.00 0.00 C ATOM 0 HA PRO A 33 0.637 -17.512 -4.505 1.00 0.00 H new ATOM 0 HB2 PRO A 33 3.330 -17.893 -5.825 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.704 -18.678 -4.388 1.00 0.00 H new ATOM 0 HG2 PRO A 33 2.864 -20.023 -6.690 1.00 0.00 H new ATOM 0 HG3 PRO A 33 1.507 -20.278 -5.611 1.00 0.00 H new ATOM 0 HD2 PRO A 33 1.600 -18.744 -8.196 1.00 0.00 H new ATOM 0 HD3 PRO A 33 0.286 -19.686 -7.520 1.00 0.00 H new ATOM 563 N PRO A 34 1.714 -15.244 -4.323 1.00 0.00 N ATOM 564 CA PRO A 34 2.114 -13.838 -4.297 1.00 0.00 C ATOM 565 C PRO A 34 3.519 -13.639 -4.816 1.00 0.00 C ATOM 566 O PRO A 34 3.899 -12.547 -5.235 1.00 0.00 O ATOM 567 CB PRO A 34 2.040 -13.449 -2.822 1.00 0.00 C ATOM 568 CG PRO A 34 2.034 -14.737 -2.080 1.00 0.00 C ATOM 569 CD PRO A 34 1.371 -15.738 -2.982 1.00 0.00 C ATOM 0 HA PRO A 34 1.472 -13.231 -4.935 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.891 -12.832 -2.534 1.00 0.00 H new ATOM 0 HB3 PRO A 34 1.141 -12.869 -2.612 1.00 0.00 H new ATOM 0 HG2 PRO A 34 3.049 -15.048 -1.833 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.492 -14.642 -1.139 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.748 -16.747 -2.814 1.00 0.00 H new ATOM 0 HD3 PRO A 34 0.293 -15.771 -2.826 1.00 0.00 H new ATOM 577 N VAL A 35 4.255 -14.729 -4.806 1.00 0.00 N ATOM 578 CA VAL A 35 5.653 -14.758 -5.240 1.00 0.00 C ATOM 579 C VAL A 35 5.869 -13.973 -6.528 1.00 0.00 C ATOM 580 O VAL A 35 6.968 -13.479 -6.782 1.00 0.00 O ATOM 581 CB VAL A 35 6.142 -16.207 -5.446 1.00 0.00 C ATOM 582 CG1 VAL A 35 5.492 -16.829 -6.674 1.00 0.00 C ATOM 583 CG2 VAL A 35 7.659 -16.249 -5.556 1.00 0.00 C ATOM 0 H VAL A 35 3.905 -15.635 -4.495 1.00 0.00 H new ATOM 0 HA VAL A 35 6.231 -14.287 -4.445 1.00 0.00 H new ATOM 0 HB VAL A 35 5.847 -16.794 -4.576 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.852 -17.850 -6.798 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.409 -16.839 -6.547 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.748 -16.244 -7.557 1.00 0.00 H new ATOM 0 HG21 VAL A 35 7.985 -17.279 -5.701 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.979 -15.644 -6.404 1.00 0.00 H new ATOM 0 HG23 VAL A 35 8.101 -15.854 -4.641 1.00 0.00 H new ATOM 593 N SER A 36 4.824 -13.856 -7.333 1.00 0.00 N ATOM 594 CA SER A 36 4.919 -13.125 -8.586 1.00 0.00 C ATOM 595 C SER A 36 4.099 -11.838 -8.535 1.00 0.00 C ATOM 596 O SER A 36 3.181 -11.645 -9.333 1.00 0.00 O ATOM 597 CB SER A 36 4.457 -14.005 -9.750 1.00 0.00 C ATOM 598 OG SER A 36 3.118 -14.433 -9.567 1.00 0.00 O ATOM 0 H SER A 36 3.905 -14.256 -7.142 1.00 0.00 H new ATOM 0 HA SER A 36 5.963 -12.854 -8.742 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.540 -13.450 -10.685 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.111 -14.873 -9.835 1.00 0.00 H new ATOM 0 HG SER A 36 2.531 -13.651 -9.499 1.00 0.00 H new ATOM 604 N CYS A 37 4.436 -10.960 -7.588 1.00 0.00 N ATOM 605 CA CYS A 37 3.735 -9.687 -7.443 1.00 0.00 C ATOM 606 C CYS A 37 3.734 -8.926 -8.763 1.00 0.00 C ATOM 607 O CYS A 37 2.780 -8.218 -9.085 1.00 0.00 O ATOM 608 CB CYS A 37 4.383 -8.835 -6.344 1.00 0.00 C ATOM 609 SG CYS A 37 6.111 -9.281 -5.969 1.00 0.00 S ATOM 0 H CYS A 37 5.187 -11.108 -6.914 1.00 0.00 H new ATOM 0 HA CYS A 37 2.704 -9.896 -7.158 1.00 0.00 H new ATOM 0 HB2 CYS A 37 4.347 -7.788 -6.644 1.00 0.00 H new ATOM 0 HB3 CYS A 37 3.791 -8.926 -5.433 1.00 0.00 H new ATOM 614 N ILE A 38 4.816 -9.077 -9.520 1.00 0.00 N ATOM 615 CA ILE A 38 4.949 -8.420 -10.815 1.00 0.00 C ATOM 616 C ILE A 38 5.675 -9.332 -11.802 1.00 0.00 C ATOM 617 O ILE A 38 6.889 -9.229 -11.980 1.00 0.00 O ATOM 618 CB ILE A 38 5.715 -7.085 -10.703 1.00 0.00 C ATOM 619 CG1 ILE A 38 5.065 -6.180 -9.654 1.00 0.00 C ATOM 620 CG2 ILE A 38 5.757 -6.390 -12.057 1.00 0.00 C ATOM 621 CD1 ILE A 38 5.850 -4.917 -9.369 1.00 0.00 C ATOM 0 H ILE A 38 5.617 -9.651 -9.257 1.00 0.00 H new ATOM 0 HA ILE A 38 3.942 -8.211 -11.175 1.00 0.00 H new ATOM 0 HB ILE A 38 6.737 -7.294 -10.387 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.065 -5.907 -9.992 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.946 -6.741 -8.727 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.300 -5.449 -11.966 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.261 -7.032 -12.780 1.00 0.00 H new ATOM 0 HG23 ILE A 38 4.740 -6.191 -12.396 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.328 -4.326 -8.616 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.841 -5.180 -9.000 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.946 -4.334 -10.285 1.00 0.00 H new ATOM 633 N LYS A 39 4.923 -10.227 -12.436 1.00 0.00 N ATOM 634 CA LYS A 39 5.494 -11.162 -13.397 1.00 0.00 C ATOM 635 C LYS A 39 5.615 -10.528 -14.780 1.00 0.00 C ATOM 636 O LYS A 39 5.156 -11.087 -15.776 1.00 0.00 O ATOM 637 CB LYS A 39 4.637 -12.429 -13.470 1.00 0.00 C ATOM 638 CG LYS A 39 5.334 -13.598 -14.149 1.00 0.00 C ATOM 639 CD LYS A 39 6.543 -14.064 -13.354 1.00 0.00 C ATOM 640 CE LYS A 39 7.248 -15.223 -14.039 1.00 0.00 C ATOM 641 NZ LYS A 39 6.352 -16.400 -14.203 1.00 0.00 N ATOM 0 H LYS A 39 3.917 -10.324 -12.301 1.00 0.00 H new ATOM 0 HA LYS A 39 6.496 -11.426 -13.059 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.352 -12.724 -12.460 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.716 -12.204 -14.008 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.632 -14.424 -14.264 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.647 -13.304 -15.151 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.240 -13.235 -13.230 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.228 -14.367 -12.356 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.608 -14.902 -15.016 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.123 -15.511 -13.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.919 -17.236 -14.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.844 -16.577 -13.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.666 -16.211 -14.961 1.00 0.00 H new ATOM 655 N ARG A 40 6.234 -9.354 -14.832 1.00 0.00 N ATOM 656 CA ARG A 40 6.419 -8.643 -16.092 1.00 0.00 C ATOM 657 C ARG A 40 7.747 -7.892 -16.100 1.00 0.00 C ATOM 658 O ARG A 40 8.619 -8.159 -16.927 1.00 0.00 O ATOM 659 CB ARG A 40 5.260 -7.673 -16.330 1.00 0.00 C ATOM 660 CG ARG A 40 5.412 -6.834 -17.588 1.00 0.00 C ATOM 661 CD ARG A 40 4.070 -6.316 -18.078 1.00 0.00 C ATOM 662 NE ARG A 40 3.359 -5.570 -17.045 1.00 0.00 N ATOM 663 CZ ARG A 40 2.131 -5.083 -17.200 1.00 0.00 C ATOM 664 NH1 ARG A 40 1.480 -5.265 -18.342 1.00 0.00 N ATOM 665 NH2 ARG A 40 1.551 -4.415 -16.212 1.00 0.00 N ATOM 0 H ARG A 40 6.616 -8.874 -14.017 1.00 0.00 H new ATOM 0 HA ARG A 40 6.435 -9.376 -16.899 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.331 -8.240 -16.392 1.00 0.00 H new ATOM 0 HB3 ARG A 40 5.171 -7.009 -15.470 1.00 0.00 H new ATOM 0 HG2 ARG A 40 6.076 -5.993 -17.388 1.00 0.00 H new ATOM 0 HG3 ARG A 40 5.880 -7.431 -18.370 1.00 0.00 H new ATOM 0 HD2 ARG A 40 4.224 -5.675 -18.946 1.00 0.00 H new ATOM 0 HD3 ARG A 40 3.456 -7.155 -18.406 1.00 0.00 H new ATOM 0 HE ARG A 40 3.830 -5.413 -16.154 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.921 -5.780 -19.104 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.538 -4.890 -18.458 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.047 -4.274 -15.332 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.609 -4.042 -16.332 1.00 0.00 H new ATOM 679 N ASP A 41 7.890 -6.950 -15.174 1.00 0.00 N ATOM 680 CA ASP A 41 9.109 -6.155 -15.071 1.00 0.00 C ATOM 681 C ASP A 41 9.422 -5.823 -13.616 1.00 0.00 C ATOM 682 O ASP A 41 8.531 -5.472 -12.844 1.00 0.00 O ATOM 683 CB ASP A 41 8.967 -4.865 -15.879 1.00 0.00 C ATOM 684 CG ASP A 41 8.929 -5.116 -17.373 1.00 0.00 C ATOM 685 OD1 ASP A 41 9.953 -5.573 -17.925 1.00 0.00 O ATOM 686 OD2 ASP A 41 7.876 -4.856 -17.992 1.00 0.00 O ATOM 0 H ASP A 41 7.176 -6.718 -14.483 1.00 0.00 H new ATOM 0 HA ASP A 41 9.933 -6.743 -15.475 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.055 -4.350 -15.577 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.800 -4.201 -15.647 1.00 0.00 H new ATOM 691 N SER A 42 10.696 -5.934 -13.250 1.00 0.00 N ATOM 692 CA SER A 42 11.129 -5.643 -11.887 1.00 0.00 C ATOM 693 C SER A 42 11.395 -4.146 -11.688 1.00 0.00 C ATOM 694 O SER A 42 10.934 -3.563 -10.708 1.00 0.00 O ATOM 695 CB SER A 42 12.378 -6.456 -11.536 1.00 0.00 C ATOM 696 OG SER A 42 12.119 -7.847 -11.603 1.00 0.00 O ATOM 0 H SER A 42 11.446 -6.223 -13.878 1.00 0.00 H new ATOM 0 HA SER A 42 10.320 -5.930 -11.215 1.00 0.00 H new ATOM 0 HB2 SER A 42 13.186 -6.200 -12.221 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.716 -6.194 -10.533 1.00 0.00 H new ATOM 0 HG SER A 42 12.933 -8.343 -11.376 1.00 0.00 H new ATOM 702 N PRO A 43 12.145 -3.496 -12.608 1.00 0.00 N ATOM 703 CA PRO A 43 12.450 -2.063 -12.498 1.00 0.00 C ATOM 704 C PRO A 43 11.200 -1.195 -12.608 1.00 0.00 C ATOM 705 O PRO A 43 10.847 -0.477 -11.672 1.00 0.00 O ATOM 706 CB PRO A 43 13.390 -1.793 -13.683 1.00 0.00 C ATOM 707 CG PRO A 43 13.875 -3.135 -14.112 1.00 0.00 C ATOM 708 CD PRO A 43 12.757 -4.086 -13.811 1.00 0.00 C ATOM 0 HA PRO A 43 12.888 -1.820 -11.530 1.00 0.00 H new ATOM 0 HB2 PRO A 43 12.866 -1.286 -14.493 1.00 0.00 H new ATOM 0 HB3 PRO A 43 14.220 -1.150 -13.389 1.00 0.00 H new ATOM 0 HG2 PRO A 43 14.119 -3.142 -15.174 1.00 0.00 H new ATOM 0 HG3 PRO A 43 14.781 -3.414 -13.575 1.00 0.00 H new ATOM 0 HD2 PRO A 43 12.047 -4.151 -14.636 1.00 0.00 H new ATOM 0 HD3 PRO A 43 13.123 -5.096 -13.625 1.00 0.00 H new ATOM 716 N ILE A 44 10.536 -1.267 -13.758 1.00 0.00 N ATOM 717 CA ILE A 44 9.325 -0.491 -13.993 1.00 0.00 C ATOM 718 C ILE A 44 8.302 -1.305 -14.783 1.00 0.00 C ATOM 719 O ILE A 44 8.614 -1.856 -15.839 1.00 0.00 O ATOM 720 CB ILE A 44 9.634 0.820 -14.748 1.00 0.00 C ATOM 721 CG1 ILE A 44 8.343 1.588 -15.046 1.00 0.00 C ATOM 722 CG2 ILE A 44 10.398 0.533 -16.032 1.00 0.00 C ATOM 723 CD1 ILE A 44 7.618 2.062 -13.803 1.00 0.00 C ATOM 0 H ILE A 44 10.817 -1.856 -14.542 1.00 0.00 H new ATOM 0 HA ILE A 44 8.908 -0.241 -13.017 1.00 0.00 H new ATOM 0 HB ILE A 44 10.262 1.442 -14.110 1.00 0.00 H new ATOM 0 HG12 ILE A 44 8.579 2.450 -15.670 1.00 0.00 H new ATOM 0 HG13 ILE A 44 7.675 0.949 -15.624 1.00 0.00 H new ATOM 0 HG21 ILE A 44 10.606 1.470 -16.549 1.00 0.00 H new ATOM 0 HG22 ILE A 44 11.337 0.034 -15.793 1.00 0.00 H new ATOM 0 HG23 ILE A 44 9.799 -0.111 -16.676 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.714 2.598 -14.091 1.00 0.00 H new ATOM 0 HD12 ILE A 44 7.350 1.203 -13.188 1.00 0.00 H new ATOM 0 HD13 ILE A 44 8.268 2.727 -13.234 1.00 0.00 H new ATOM 735 N GLN A 45 7.081 -1.376 -14.263 1.00 0.00 N ATOM 736 CA GLN A 45 6.015 -2.130 -14.915 1.00 0.00 C ATOM 737 C GLN A 45 4.819 -1.239 -15.238 1.00 0.00 C ATOM 738 O GLN A 45 3.723 -1.730 -15.508 1.00 0.00 O ATOM 739 CB GLN A 45 5.575 -3.298 -14.028 1.00 0.00 C ATOM 740 CG GLN A 45 5.455 -2.942 -12.552 1.00 0.00 C ATOM 741 CD GLN A 45 4.432 -1.855 -12.288 1.00 0.00 C ATOM 742 OE1 GLN A 45 4.759 -0.669 -12.277 1.00 0.00 O ATOM 743 NE2 GLN A 45 3.185 -2.258 -12.072 1.00 0.00 N ATOM 0 H GLN A 45 6.805 -0.921 -13.393 1.00 0.00 H new ATOM 0 HA GLN A 45 6.408 -2.519 -15.854 1.00 0.00 H new ATOM 0 HB2 GLN A 45 4.612 -3.667 -14.382 1.00 0.00 H new ATOM 0 HB3 GLN A 45 6.289 -4.114 -14.138 1.00 0.00 H new ATOM 0 HG2 GLN A 45 5.182 -3.835 -11.989 1.00 0.00 H new ATOM 0 HG3 GLN A 45 6.427 -2.616 -12.182 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.960 -3.253 -12.091 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.452 -1.573 -11.887 1.00 0.00 H new ATOM 752 N CYS A 46 5.035 0.074 -15.212 1.00 0.00 N ATOM 753 CA CYS A 46 3.970 1.026 -15.504 1.00 0.00 C ATOM 754 C CYS A 46 4.498 2.193 -16.337 1.00 0.00 C ATOM 755 O CYS A 46 5.464 2.037 -17.085 1.00 0.00 O ATOM 756 CB CYS A 46 3.352 1.538 -14.202 1.00 0.00 C ATOM 757 SG CYS A 46 1.530 1.552 -14.202 1.00 0.00 S ATOM 0 H CYS A 46 5.935 0.500 -14.992 1.00 0.00 H new ATOM 0 HA CYS A 46 3.201 0.516 -16.084 1.00 0.00 H new ATOM 0 HB2 CYS A 46 3.700 0.916 -13.377 1.00 0.00 H new ATOM 0 HB3 CYS A 46 3.713 2.549 -14.013 1.00 0.00 H new ATOM 762 N ILE A 47 3.858 3.355 -16.212 1.00 0.00 N ATOM 763 CA ILE A 47 4.269 4.540 -16.959 1.00 0.00 C ATOM 764 C ILE A 47 5.771 4.778 -16.832 1.00 0.00 C ATOM 765 O ILE A 47 6.296 4.925 -15.730 1.00 0.00 O ATOM 766 CB ILE A 47 3.520 5.801 -16.481 1.00 0.00 C ATOM 767 CG1 ILE A 47 2.006 5.596 -16.596 1.00 0.00 C ATOM 768 CG2 ILE A 47 3.959 7.014 -17.291 1.00 0.00 C ATOM 769 CD1 ILE A 47 1.190 6.744 -16.036 1.00 0.00 C ATOM 0 H ILE A 47 3.054 3.500 -15.601 1.00 0.00 H new ATOM 0 HA ILE A 47 4.018 4.353 -18.003 1.00 0.00 H new ATOM 0 HB ILE A 47 3.765 5.978 -15.434 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.746 5.456 -17.645 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.732 4.679 -16.074 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.423 7.897 -16.943 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.031 7.167 -17.165 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.738 6.847 -18.345 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.128 6.527 -16.153 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.420 6.872 -14.978 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.434 7.660 -16.574 1.00 0.00 H new ATOM 781 N GLN A 48 6.453 4.818 -17.973 1.00 0.00 N ATOM 782 CA GLN A 48 7.895 5.035 -17.996 1.00 0.00 C ATOM 783 C GLN A 48 8.244 6.298 -18.776 1.00 0.00 C ATOM 784 O GLN A 48 7.579 6.636 -19.756 1.00 0.00 O ATOM 785 CB GLN A 48 8.600 3.828 -18.618 1.00 0.00 C ATOM 786 CG GLN A 48 10.115 3.927 -18.593 1.00 0.00 C ATOM 787 CD GLN A 48 10.791 2.724 -19.220 1.00 0.00 C ATOM 788 OE1 GLN A 48 10.262 1.612 -19.187 1.00 0.00 O ATOM 789 NE2 GLN A 48 11.967 2.941 -19.798 1.00 0.00 N ATOM 0 H GLN A 48 6.030 4.703 -18.894 1.00 0.00 H new ATOM 0 HA GLN A 48 8.236 5.160 -16.968 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.295 2.926 -18.087 1.00 0.00 H new ATOM 0 HB3 GLN A 48 8.269 3.717 -19.651 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.425 4.829 -19.121 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.451 4.031 -17.561 1.00 0.00 H new ATOM 0 HE21 GLN A 48 12.368 3.879 -19.802 1.00 0.00 H new ATOM 0 HE22 GLN A 48 12.469 2.170 -20.238 1.00 0.00 H new ATOM 798 N ALA A 49 9.291 6.988 -18.336 1.00 0.00 N ATOM 799 CA ALA A 49 9.730 8.214 -18.992 1.00 0.00 C ATOM 800 C ALA A 49 11.154 8.577 -18.579 1.00 0.00 C ATOM 801 O ALA A 49 12.097 8.151 -19.277 1.00 0.00 O ATOM 802 CB ALA A 49 8.775 9.354 -18.671 1.00 0.00 C ATOM 803 OXT ALA A 49 11.312 9.284 -17.562 1.00 0.00 O ATOM 0 H ALA A 49 9.851 6.719 -17.527 1.00 0.00 H new ATOM 0 HA ALA A 49 9.725 8.045 -20.069 1.00 0.00 H new ATOM 0 HB1 ALA A 49 9.114 10.263 -19.167 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.775 9.101 -19.022 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.751 9.516 -17.593 1.00 0.00 H new TER 809 ALA A 49