USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=9 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= -3.73 K(o=-5.1,f=-12!) USER MOD Set 1.2: A 45 GLN : amide:sc= -1.35 K(o=-5.1,f=-10!) 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 :FLIP amide:sc= 0 F(o=-0.96,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 177:sc= -0.125 (180deg=-0.157) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= -3.55 K(o=-3.6,f=-5.4!) USER MOD Single : A 26 ASN : amide:sc= -1.16 K(o=-1.2,f=-7.4!) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 167:sc= -0.0337 (180deg=-0.302) USER MOD Single : A 36 SER OG : rot -73:sc= 0.245 USER MOD Single : A 39 LYS NZ :NH3+ 157:sc= 0.011 (180deg=-0.142) USER MOD Single : A 42 SER OG : rot 92:sc= -1.99! USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.814 16.179 5.370 1.00 0.00 N ATOM 2 CA GLY A 1 -5.599 15.016 4.872 1.00 0.00 C ATOM 3 C GLY A 1 -4.821 14.168 3.885 1.00 0.00 C ATOM 4 O GLY A 1 -4.180 14.694 2.975 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.391 16.725 6.041 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.955 15.839 5.848 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.547 16.786 4.569 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.902 14.398 5.717 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.512 15.375 4.397 1.00 0.00 H new ATOM 10 N ARG A 2 -4.878 12.852 4.067 1.00 0.00 N ATOM 11 CA ARG A 2 -4.175 11.926 3.186 1.00 0.00 C ATOM 12 C ARG A 2 -5.161 11.112 2.352 1.00 0.00 C ATOM 13 O ARG A 2 -5.658 10.075 2.791 1.00 0.00 O ATOM 14 CB ARG A 2 -3.278 10.992 4.003 1.00 0.00 C ATOM 15 CG ARG A 2 -3.958 10.411 5.232 1.00 0.00 C ATOM 16 CD ARG A 2 -3.067 9.400 5.937 1.00 0.00 C ATOM 17 NE ARG A 2 -2.804 8.228 5.106 1.00 0.00 N ATOM 18 CZ ARG A 2 -2.087 7.184 5.511 1.00 0.00 C ATOM 19 NH1 ARG A 2 -1.562 7.166 6.729 1.00 0.00 N ATOM 20 NH2 ARG A 2 -1.895 6.156 4.696 1.00 0.00 N ATOM 0 H ARG A 2 -5.404 12.403 4.817 1.00 0.00 H new ATOM 0 HA ARG A 2 -3.553 12.510 2.507 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -2.942 10.175 3.364 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -2.388 11.539 4.315 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -4.214 11.215 5.922 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -4.893 9.932 4.940 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -2.123 9.874 6.205 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -3.541 9.086 6.867 1.00 0.00 H new ATOM 0 HE ARG A 2 -3.192 8.209 4.163 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -1.708 7.955 7.359 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -1.013 6.363 7.036 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -2.297 6.166 3.759 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -1.345 5.355 5.006 1.00 0.00 H new ATOM 34 N ARG A 3 -5.438 11.592 1.144 1.00 0.00 N ATOM 35 CA ARG A 3 -6.364 10.914 0.244 1.00 0.00 C ATOM 36 C ARG A 3 -5.798 10.848 -1.171 1.00 0.00 C ATOM 37 O ARG A 3 -6.545 10.799 -2.148 1.00 0.00 O ATOM 38 CB ARG A 3 -7.714 11.636 0.232 1.00 0.00 C ATOM 39 CG ARG A 3 -8.382 11.704 1.595 1.00 0.00 C ATOM 40 CD ARG A 3 -9.678 12.497 1.538 1.00 0.00 C ATOM 41 NE ARG A 3 -10.341 12.563 2.836 1.00 0.00 N ATOM 42 CZ ARG A 3 -11.545 13.094 3.024 1.00 0.00 C ATOM 43 NH1 ARG A 3 -12.214 13.603 1.998 1.00 0.00 N ATOM 44 NH2 ARG A 3 -12.083 13.115 4.235 1.00 0.00 N ATOM 0 H ARG A 3 -5.034 12.449 0.765 1.00 0.00 H new ATOM 0 HA ARG A 3 -6.506 9.896 0.607 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -7.571 12.649 -0.144 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -8.381 11.129 -0.465 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -8.586 10.695 1.953 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -7.703 12.165 2.312 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -9.469 13.507 1.187 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -10.350 12.040 0.811 1.00 0.00 H new ATOM 0 HE ARG A 3 -9.853 12.180 3.645 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -11.805 13.587 1.064 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -13.138 14.010 2.143 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -11.573 12.723 5.027 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -13.007 13.523 4.376 1.00 0.00 H new ATOM 58 N ARG A 4 -4.473 10.847 -1.270 1.00 0.00 N ATOM 59 CA ARG A 4 -3.804 10.789 -2.565 1.00 0.00 C ATOM 60 C ARG A 4 -3.742 9.357 -3.083 1.00 0.00 C ATOM 61 O ARG A 4 -3.435 8.429 -2.335 1.00 0.00 O ATOM 62 CB ARG A 4 -2.391 11.365 -2.460 1.00 0.00 C ATOM 63 CG ARG A 4 -2.357 12.822 -2.029 1.00 0.00 C ATOM 64 CD ARG A 4 -0.936 13.358 -1.994 1.00 0.00 C ATOM 65 NE ARG A 4 -0.884 14.748 -1.552 1.00 0.00 N ATOM 66 CZ ARG A 4 0.236 15.365 -1.191 1.00 0.00 C ATOM 67 NH1 ARG A 4 1.394 14.717 -1.220 1.00 0.00 N ATOM 68 NH2 ARG A 4 0.202 16.632 -0.801 1.00 0.00 N ATOM 0 H ARG A 4 -3.841 10.886 -0.470 1.00 0.00 H new ATOM 0 HA ARG A 4 -4.382 11.387 -3.270 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -1.818 10.771 -1.748 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -1.896 11.269 -3.426 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -2.956 13.420 -2.716 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -2.809 12.922 -1.042 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -0.333 12.743 -1.326 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -0.494 13.277 -2.987 1.00 0.00 H new ATOM 0 HE ARG A 4 -1.756 15.275 -1.518 1.00 0.00 H new ATOM 0 HH11 ARG A 4 1.426 13.743 -1.520 1.00 0.00 H new ATOM 0 HH12 ARG A 4 2.252 15.193 -0.942 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -0.685 17.135 -0.778 1.00 0.00 H new ATOM 0 HH22 ARG A 4 1.063 17.104 -0.524 1.00 0.00 H new ATOM 82 N ARG A 5 -4.038 9.186 -4.368 1.00 0.00 N ATOM 83 CA ARG A 5 -4.014 7.868 -4.990 1.00 0.00 C ATOM 84 C ARG A 5 -3.053 7.847 -6.174 1.00 0.00 C ATOM 85 O ARG A 5 -2.166 6.997 -6.251 1.00 0.00 O ATOM 86 CB ARG A 5 -5.419 7.471 -5.447 1.00 0.00 C ATOM 87 CG ARG A 5 -5.485 6.091 -6.083 1.00 0.00 C ATOM 88 CD ARG A 5 -6.892 5.766 -6.555 1.00 0.00 C ATOM 89 NE ARG A 5 -7.364 6.716 -7.559 1.00 0.00 N ATOM 90 CZ ARG A 5 -8.648 6.931 -7.825 1.00 0.00 C ATOM 91 NH1 ARG A 5 -9.588 6.270 -7.163 1.00 0.00 N ATOM 92 NH2 ARG A 5 -8.993 7.814 -8.754 1.00 0.00 N ATOM 0 H ARG A 5 -4.297 9.945 -4.998 1.00 0.00 H new ATOM 0 HA ARG A 5 -3.666 7.148 -4.250 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -6.092 7.500 -4.590 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -5.782 8.209 -6.162 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -4.796 6.044 -6.927 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -5.159 5.341 -5.363 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -6.911 4.759 -6.971 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -7.571 5.772 -5.702 1.00 0.00 H new ATOM 0 HE ARG A 5 -6.669 7.244 -8.086 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -9.327 5.593 -6.446 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -10.572 6.439 -7.371 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -8.273 8.327 -9.263 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -9.978 7.980 -8.959 1.00 0.00 H new ATOM 106 N SER A 6 -3.237 8.787 -7.095 1.00 0.00 N ATOM 107 CA SER A 6 -2.386 8.880 -8.276 1.00 0.00 C ATOM 108 C SER A 6 -1.602 10.188 -8.272 1.00 0.00 C ATOM 109 O SER A 6 -2.054 11.196 -8.818 1.00 0.00 O ATOM 110 CB SER A 6 -3.226 8.776 -9.549 1.00 0.00 C ATOM 111 OG SER A 6 -3.929 7.547 -9.598 1.00 0.00 O ATOM 0 H SER A 6 -3.969 9.496 -7.046 1.00 0.00 H new ATOM 0 HA SER A 6 -1.679 8.051 -8.253 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.933 9.605 -9.590 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.580 8.864 -10.423 1.00 0.00 H new ATOM 0 HG SER A 6 -4.460 7.506 -10.421 1.00 0.00 H new ATOM 117 N VAL A 7 -0.427 10.166 -7.653 1.00 0.00 N ATOM 118 CA VAL A 7 0.419 11.351 -7.574 1.00 0.00 C ATOM 119 C VAL A 7 1.239 11.516 -8.856 1.00 0.00 C ATOM 120 O VAL A 7 0.903 10.943 -9.892 1.00 0.00 O ATOM 121 CB VAL A 7 1.361 11.292 -6.347 1.00 0.00 C ATOM 122 CG1 VAL A 7 1.625 12.690 -5.799 1.00 0.00 C ATOM 123 CG2 VAL A 7 0.772 10.403 -5.261 1.00 0.00 C ATOM 0 H VAL A 7 -0.038 9.340 -7.198 1.00 0.00 H new ATOM 0 HA VAL A 7 -0.236 12.214 -7.459 1.00 0.00 H new ATOM 0 HB VAL A 7 2.310 10.864 -6.670 1.00 0.00 H new ATOM 0 HG11 VAL A 7 2.289 12.624 -4.937 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.092 13.301 -6.571 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.682 13.146 -5.496 1.00 0.00 H new ATOM 0 HG21 VAL A 7 1.449 10.375 -4.407 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.192 10.803 -4.947 1.00 0.00 H new ATOM 0 HG23 VAL A 7 0.637 9.394 -5.650 1.00 0.00 H new ATOM 133 N GLN A 8 2.309 12.299 -8.782 1.00 0.00 N ATOM 134 CA GLN A 8 3.165 12.557 -9.937 1.00 0.00 C ATOM 135 C GLN A 8 4.180 11.439 -10.156 1.00 0.00 C ATOM 136 O GLN A 8 5.336 11.694 -10.495 1.00 0.00 O ATOM 137 CB GLN A 8 3.888 13.884 -9.746 1.00 0.00 C ATOM 138 CG GLN A 8 4.773 13.917 -8.512 1.00 0.00 C ATOM 139 CD GLN A 8 5.441 15.263 -8.300 1.00 0.00 C ATOM 140 OE1 GLN A 8 5.731 15.961 -9.393 1.00 0.00 O flip ATOM 141 NE2 GLN A 8 5.696 15.669 -7.167 1.00 0.00 N flip ATOM 0 H GLN A 8 2.607 12.770 -7.928 1.00 0.00 H new ATOM 0 HA GLN A 8 2.530 12.601 -10.822 1.00 0.00 H new ATOM 0 HB2 GLN A 8 4.497 14.087 -10.627 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.151 14.684 -9.677 1.00 0.00 H new ATOM 0 HG2 GLN A 8 4.174 13.672 -7.635 1.00 0.00 H new ATOM 0 HG3 GLN A 8 5.539 13.147 -8.600 1.00 0.00 H new ATOM 0 HE21 GLN A 8 5.456 15.100 -6.355 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.148 16.575 -7.039 1.00 0.00 H new ATOM 150 N TRP A 9 3.743 10.207 -9.964 1.00 0.00 N ATOM 151 CA TRP A 9 4.604 9.055 -10.148 1.00 0.00 C ATOM 152 C TRP A 9 3.887 7.944 -10.900 1.00 0.00 C ATOM 153 O TRP A 9 2.764 8.118 -11.375 1.00 0.00 O ATOM 154 CB TRP A 9 5.086 8.524 -8.799 1.00 0.00 C ATOM 155 CG TRP A 9 3.997 8.261 -7.805 1.00 0.00 C ATOM 156 CD1 TRP A 9 2.650 8.373 -7.993 1.00 0.00 C ATOM 157 CD2 TRP A 9 4.180 7.830 -6.457 1.00 0.00 C ATOM 158 NE1 TRP A 9 1.986 8.049 -6.835 1.00 0.00 N ATOM 159 CE2 TRP A 9 2.906 7.710 -5.876 1.00 0.00 C ATOM 160 CE3 TRP A 9 5.306 7.537 -5.688 1.00 0.00 C ATOM 161 CZ2 TRP A 9 2.725 7.310 -4.555 1.00 0.00 C ATOM 162 CZ3 TRP A 9 5.128 7.138 -4.375 1.00 0.00 C ATOM 163 CH2 TRP A 9 3.845 7.028 -3.821 1.00 0.00 C ATOM 0 H TRP A 9 2.791 9.979 -9.679 1.00 0.00 H new ATOM 0 HA TRP A 9 5.462 9.379 -10.738 1.00 0.00 H new ATOM 0 HB2 TRP A 9 5.639 7.600 -8.964 1.00 0.00 H new ATOM 0 HB3 TRP A 9 5.785 9.242 -8.370 1.00 0.00 H new ATOM 0 HD1 TRP A 9 2.176 8.672 -8.916 1.00 0.00 H new ATOM 0 HE1 TRP A 9 0.974 8.059 -6.709 1.00 0.00 H new ATOM 0 HE3 TRP A 9 6.297 7.620 -6.109 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 1.738 7.225 -4.126 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 5.991 6.908 -3.768 1.00 0.00 H new ATOM 0 HH2 TRP A 9 3.738 6.714 -2.793 1.00 0.00 H new ATOM 174 N CYS A 10 4.553 6.803 -10.999 1.00 0.00 N ATOM 175 CA CYS A 10 4.001 5.648 -11.685 1.00 0.00 C ATOM 176 C CYS A 10 3.558 4.578 -10.699 1.00 0.00 C ATOM 177 O CYS A 10 3.749 3.384 -10.928 1.00 0.00 O ATOM 178 CB CYS A 10 5.029 5.075 -12.647 1.00 0.00 C ATOM 179 SG CYS A 10 6.522 4.369 -11.859 1.00 0.00 S ATOM 0 H CYS A 10 5.484 6.654 -10.609 1.00 0.00 H new ATOM 0 HA CYS A 10 3.124 5.975 -12.244 1.00 0.00 H new ATOM 0 HB2 CYS A 10 4.551 4.299 -13.245 1.00 0.00 H new ATOM 0 HB3 CYS A 10 5.338 5.862 -13.335 1.00 0.00 H new ATOM 184 N ALA A 11 2.969 5.021 -9.602 1.00 0.00 N ATOM 185 CA ALA A 11 2.500 4.119 -8.559 1.00 0.00 C ATOM 186 C ALA A 11 1.553 3.059 -9.116 1.00 0.00 C ATOM 187 O ALA A 11 1.397 1.985 -8.534 1.00 0.00 O ATOM 188 CB ALA A 11 1.815 4.901 -7.451 1.00 0.00 C ATOM 0 H ALA A 11 2.802 6.008 -9.408 1.00 0.00 H new ATOM 0 HA ALA A 11 3.371 3.608 -8.150 1.00 0.00 H new ATOM 0 HB1 ALA A 11 1.470 4.213 -6.679 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.520 5.610 -7.016 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.963 5.443 -7.861 1.00 0.00 H new ATOM 194 N VAL A 12 0.922 3.367 -10.247 1.00 0.00 N ATOM 195 CA VAL A 12 -0.016 2.445 -10.878 1.00 0.00 C ATOM 196 C VAL A 12 0.707 1.361 -11.674 1.00 0.00 C ATOM 197 O VAL A 12 0.091 0.644 -12.464 1.00 0.00 O ATOM 198 CB VAL A 12 -0.983 3.189 -11.815 1.00 0.00 C ATOM 199 CG1 VAL A 12 -1.904 4.101 -11.019 1.00 0.00 C ATOM 200 CG2 VAL A 12 -0.211 3.978 -12.862 1.00 0.00 C ATOM 0 H VAL A 12 1.044 4.249 -10.745 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.580 1.976 -10.072 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.599 2.452 -12.331 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.580 4.618 -11.699 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.484 3.506 -10.313 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.308 4.833 -10.473 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.912 4.498 -13.516 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.432 4.706 -12.368 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.400 3.296 -13.454 1.00 0.00 H new ATOM 210 N SER A 13 2.011 1.247 -11.462 1.00 0.00 N ATOM 211 CA SER A 13 2.817 0.250 -12.160 1.00 0.00 C ATOM 212 C SER A 13 2.555 -1.150 -11.611 1.00 0.00 C ATOM 213 O SER A 13 2.381 -2.101 -12.372 1.00 0.00 O ATOM 214 CB SER A 13 4.304 0.591 -12.039 1.00 0.00 C ATOM 215 OG SER A 13 5.107 -0.389 -12.674 1.00 0.00 O ATOM 0 H SER A 13 2.535 1.832 -10.812 1.00 0.00 H new ATOM 0 HA SER A 13 2.533 0.263 -13.212 1.00 0.00 H new ATOM 0 HB2 SER A 13 4.494 1.567 -12.487 1.00 0.00 H new ATOM 0 HB3 SER A 13 4.579 0.664 -10.987 1.00 0.00 H new ATOM 0 HG SER A 13 6.052 -0.146 -12.583 1.00 0.00 H new ATOM 221 N GLN A 14 2.529 -1.268 -10.286 1.00 0.00 N ATOM 222 CA GLN A 14 2.286 -2.552 -9.638 1.00 0.00 C ATOM 223 C GLN A 14 1.385 -2.379 -8.417 1.00 0.00 C ATOM 224 O GLN A 14 1.312 -1.290 -7.847 1.00 0.00 O ATOM 225 CB GLN A 14 3.612 -3.205 -9.219 1.00 0.00 C ATOM 226 CG GLN A 14 4.235 -2.612 -7.960 1.00 0.00 C ATOM 227 CD GLN A 14 5.059 -1.369 -8.234 1.00 0.00 C ATOM 228 OE1 GLN A 14 4.773 -0.608 -9.158 1.00 0.00 O ATOM 229 NE2 GLN A 14 6.096 -1.158 -7.432 1.00 0.00 N ATOM 0 H GLN A 14 2.673 -0.491 -9.642 1.00 0.00 H new ATOM 0 HA GLN A 14 1.784 -3.201 -10.355 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.444 -4.270 -9.060 1.00 0.00 H new ATOM 0 HB3 GLN A 14 4.323 -3.114 -10.040 1.00 0.00 H new ATOM 0 HG2 GLN A 14 3.444 -2.368 -7.251 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.867 -3.363 -7.486 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.299 -1.814 -6.677 1.00 0.00 H new ATOM 0 HE22 GLN A 14 6.690 -0.340 -7.571 1.00 0.00 H new ATOM 238 N PRO A 15 0.680 -3.451 -8.000 1.00 0.00 N ATOM 239 CA PRO A 15 -0.204 -3.401 -6.832 1.00 0.00 C ATOM 240 C PRO A 15 0.522 -2.858 -5.608 1.00 0.00 C ATOM 241 O PRO A 15 1.266 -3.582 -4.945 1.00 0.00 O ATOM 242 CB PRO A 15 -0.600 -4.864 -6.621 1.00 0.00 C ATOM 243 CG PRO A 15 -0.462 -5.489 -7.967 1.00 0.00 C ATOM 244 CD PRO A 15 0.690 -4.785 -8.630 1.00 0.00 C ATOM 0 HA PRO A 15 -1.059 -2.741 -6.982 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.048 -5.349 -5.891 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -1.621 -4.949 -6.247 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.271 -6.559 -7.884 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.377 -5.373 -8.547 1.00 0.00 H new ATOM 0 HD2 PRO A 15 1.632 -5.305 -8.457 1.00 0.00 H new ATOM 0 HD3 PRO A 15 0.555 -4.721 -9.710 1.00 0.00 H new ATOM 252 N GLU A 16 0.301 -1.578 -5.319 1.00 0.00 N ATOM 253 CA GLU A 16 0.948 -0.920 -4.188 1.00 0.00 C ATOM 254 C GLU A 16 2.457 -0.876 -4.399 1.00 0.00 C ATOM 255 O GLU A 16 3.173 -1.813 -4.045 1.00 0.00 O ATOM 256 CB GLU A 16 0.619 -1.639 -2.875 1.00 0.00 C ATOM 257 CG GLU A 16 -0.871 -1.778 -2.614 1.00 0.00 C ATOM 258 CD GLU A 16 -1.584 -0.440 -2.563 1.00 0.00 C ATOM 259 OE1 GLU A 16 -1.620 0.171 -1.475 1.00 0.00 O ATOM 260 OE2 GLU A 16 -2.104 -0.005 -3.612 1.00 0.00 O ATOM 0 H GLU A 16 -0.323 -0.975 -5.854 1.00 0.00 H new ATOM 0 HA GLU A 16 0.568 0.100 -4.123 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.071 -2.631 -2.891 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.075 -1.094 -2.048 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.317 -2.393 -3.396 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.023 -2.302 -1.671 1.00 0.00 H new ATOM 267 N ALA A 17 2.933 0.222 -4.982 1.00 0.00 N ATOM 268 CA ALA A 17 4.355 0.395 -5.254 1.00 0.00 C ATOM 269 C ALA A 17 5.138 0.706 -3.981 1.00 0.00 C ATOM 270 O ALA A 17 6.192 1.340 -4.031 1.00 0.00 O ATOM 271 CB ALA A 17 4.558 1.498 -6.282 1.00 0.00 C ATOM 0 H ALA A 17 2.351 1.007 -5.275 1.00 0.00 H new ATOM 0 HA ALA A 17 4.736 -0.545 -5.654 1.00 0.00 H new ATOM 0 HB1 ALA A 17 5.623 1.620 -6.479 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.046 1.232 -7.207 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.150 2.433 -5.898 1.00 0.00 H new ATOM 277 N THR A 18 4.620 0.254 -2.844 1.00 0.00 N ATOM 278 CA THR A 18 5.274 0.483 -1.563 1.00 0.00 C ATOM 279 C THR A 18 5.253 -0.783 -0.711 1.00 0.00 C ATOM 280 O THR A 18 5.960 -0.879 0.293 1.00 0.00 O ATOM 281 CB THR A 18 4.595 1.628 -0.785 1.00 0.00 C ATOM 282 OG1 THR A 18 4.404 2.757 -1.646 1.00 0.00 O ATOM 283 CG2 THR A 18 5.432 2.043 0.417 1.00 0.00 C ATOM 0 H THR A 18 3.749 -0.273 -2.785 1.00 0.00 H new ATOM 0 HA THR A 18 6.307 0.762 -1.773 1.00 0.00 H new ATOM 0 HB THR A 18 3.629 1.270 -0.429 1.00 0.00 H new ATOM 0 HG1 THR A 18 3.971 3.480 -1.146 1.00 0.00 H new ATOM 0 HG21 THR A 18 4.930 2.852 0.948 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.555 1.191 1.086 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.411 2.383 0.079 1.00 0.00 H new ATOM 291 N LYS A 19 4.446 -1.758 -1.124 1.00 0.00 N ATOM 292 CA LYS A 19 4.337 -3.013 -0.389 1.00 0.00 C ATOM 293 C LYS A 19 4.882 -4.188 -1.176 1.00 0.00 C ATOM 294 O LYS A 19 5.122 -5.235 -0.599 1.00 0.00 O ATOM 295 CB LYS A 19 2.890 -3.300 -0.015 1.00 0.00 C ATOM 296 CG LYS A 19 2.633 -4.761 0.338 1.00 0.00 C ATOM 297 CD LYS A 19 1.455 -4.928 1.285 1.00 0.00 C ATOM 298 CE LYS A 19 0.152 -4.456 0.654 1.00 0.00 C ATOM 299 NZ LYS A 19 -0.227 -5.288 -0.522 1.00 0.00 N ATOM 0 H LYS A 19 3.862 -1.703 -1.958 1.00 0.00 H new ATOM 0 HA LYS A 19 4.936 -2.893 0.513 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.611 -2.675 0.833 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.245 -3.016 -0.846 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.445 -5.325 -0.575 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.527 -5.184 0.796 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.363 -5.976 1.569 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.641 -4.365 2.200 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.645 -4.492 1.397 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.254 -3.416 0.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.144 -4.968 -0.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.498 -5.194 -1.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.299 -6.285 -0.233 1.00 0.00 H new ATOM 313 N CYS A 20 5.057 -4.026 -2.484 1.00 0.00 N ATOM 314 CA CYS A 20 5.585 -5.107 -3.319 1.00 0.00 C ATOM 315 C CYS A 20 6.749 -5.767 -2.584 1.00 0.00 C ATOM 316 O CYS A 20 7.914 -5.428 -2.794 1.00 0.00 O ATOM 317 CB CYS A 20 6.044 -4.547 -4.664 1.00 0.00 C ATOM 318 SG CYS A 20 5.705 -5.601 -6.119 1.00 0.00 S ATOM 0 H CYS A 20 4.844 -3.165 -2.988 1.00 0.00 H new ATOM 0 HA CYS A 20 4.810 -5.849 -3.508 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.563 -3.581 -4.818 1.00 0.00 H new ATOM 0 HB3 CYS A 20 7.117 -4.364 -4.613 1.00 0.00 H new ATOM 323 N PHE A 21 6.404 -6.714 -1.717 1.00 0.00 N ATOM 324 CA PHE A 21 7.365 -7.388 -0.865 1.00 0.00 C ATOM 325 C PHE A 21 7.336 -8.898 -1.027 1.00 0.00 C ATOM 326 O PHE A 21 7.005 -9.427 -2.087 1.00 0.00 O ATOM 327 CB PHE A 21 7.017 -7.036 0.580 1.00 0.00 C ATOM 328 CG PHE A 21 8.139 -6.440 1.351 1.00 0.00 C ATOM 329 CD1 PHE A 21 9.330 -7.121 1.525 1.00 0.00 C ATOM 330 CD2 PHE A 21 7.990 -5.193 1.915 1.00 0.00 C ATOM 331 CE1 PHE A 21 10.353 -6.568 2.250 1.00 0.00 C ATOM 332 CE2 PHE A 21 9.004 -4.625 2.638 1.00 0.00 C ATOM 333 CZ PHE A 21 10.197 -5.310 2.812 1.00 0.00 C ATOM 0 H PHE A 21 5.444 -7.034 -1.589 1.00 0.00 H new ATOM 0 HA PHE A 21 8.366 -7.059 -1.142 1.00 0.00 H new ATOM 0 HB2 PHE A 21 6.180 -6.338 0.580 1.00 0.00 H new ATOM 0 HB3 PHE A 21 6.680 -7.938 1.090 1.00 0.00 H new ATOM 0 HD1 PHE A 21 9.455 -8.099 1.085 1.00 0.00 H new ATOM 0 HD2 PHE A 21 7.062 -4.656 1.785 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.278 -7.110 2.383 1.00 0.00 H new ATOM 0 HE2 PHE A 21 8.875 -3.645 3.072 1.00 0.00 H new ATOM 0 HZ PHE A 21 11.000 -4.866 3.382 1.00 0.00 H new ATOM 343 N GLN A 22 7.693 -9.582 0.054 1.00 0.00 N ATOM 344 CA GLN A 22 7.718 -11.021 0.089 1.00 0.00 C ATOM 345 C GLN A 22 6.872 -11.511 1.240 1.00 0.00 C ATOM 346 O GLN A 22 7.374 -11.945 2.277 1.00 0.00 O ATOM 347 CB GLN A 22 9.151 -11.531 0.230 1.00 0.00 C ATOM 348 CG GLN A 22 9.252 -13.040 0.369 1.00 0.00 C ATOM 349 CD GLN A 22 10.404 -13.469 1.256 1.00 0.00 C ATOM 350 OE1 GLN A 22 10.252 -13.601 2.470 1.00 0.00 O ATOM 351 NE2 GLN A 22 11.566 -13.691 0.651 1.00 0.00 N ATOM 0 H GLN A 22 7.973 -9.142 0.930 1.00 0.00 H new ATOM 0 HA GLN A 22 7.312 -11.406 -0.847 1.00 0.00 H new ATOM 0 HB2 GLN A 22 9.726 -11.216 -0.640 1.00 0.00 H new ATOM 0 HB3 GLN A 22 9.609 -11.063 1.101 1.00 0.00 H new ATOM 0 HG2 GLN A 22 8.319 -13.426 0.779 1.00 0.00 H new ATOM 0 HG3 GLN A 22 9.374 -13.485 -0.619 1.00 0.00 H new ATOM 0 HE21 GLN A 22 11.647 -13.569 -0.358 1.00 0.00 H new ATOM 0 HE22 GLN A 22 12.377 -13.983 1.196 1.00 0.00 H new ATOM 360 N TRP A 23 5.579 -11.408 1.041 1.00 0.00 N ATOM 361 CA TRP A 23 4.615 -11.831 2.030 1.00 0.00 C ATOM 362 C TRP A 23 4.806 -13.312 2.341 1.00 0.00 C ATOM 363 O TRP A 23 5.630 -13.680 3.179 1.00 0.00 O ATOM 364 CB TRP A 23 3.199 -11.568 1.516 1.00 0.00 C ATOM 365 CG TRP A 23 3.145 -10.644 0.334 1.00 0.00 C ATOM 366 CD1 TRP A 23 2.876 -9.312 0.336 1.00 0.00 C ATOM 367 CD2 TRP A 23 3.379 -10.997 -1.023 1.00 0.00 C ATOM 368 NE1 TRP A 23 2.884 -8.822 -0.944 1.00 0.00 N ATOM 369 CE2 TRP A 23 3.198 -9.839 -1.799 1.00 0.00 C ATOM 370 CE3 TRP A 23 3.716 -12.183 -1.658 1.00 0.00 C ATOM 371 CZ2 TRP A 23 3.337 -9.842 -3.180 1.00 0.00 C ATOM 372 CZ3 TRP A 23 3.858 -12.182 -3.025 1.00 0.00 C ATOM 373 CH2 TRP A 23 3.669 -11.028 -3.772 1.00 0.00 C ATOM 0 H TRP A 23 5.165 -11.029 0.189 1.00 0.00 H new ATOM 0 HA TRP A 23 4.765 -11.262 2.948 1.00 0.00 H new ATOM 0 HB2 TRP A 23 2.739 -12.518 1.244 1.00 0.00 H new ATOM 0 HB3 TRP A 23 2.602 -11.145 2.324 1.00 0.00 H new ATOM 0 HD1 TRP A 23 2.683 -8.723 1.221 1.00 0.00 H new ATOM 0 HE1 TRP A 23 2.688 -7.858 -1.213 1.00 0.00 H new ATOM 0 HE3 TRP A 23 3.864 -13.089 -1.090 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 3.189 -8.945 -3.762 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 4.123 -13.100 -3.529 1.00 0.00 H new ATOM 0 HH2 TRP A 23 3.787 -11.068 -4.845 1.00 0.00 H new ATOM 384 N GLN A 24 4.038 -14.157 1.664 1.00 0.00 N ATOM 385 CA GLN A 24 4.129 -15.594 1.858 1.00 0.00 C ATOM 386 C GLN A 24 3.808 -16.333 0.570 1.00 0.00 C ATOM 387 O GLN A 24 3.469 -15.721 -0.437 1.00 0.00 O ATOM 388 CB GLN A 24 3.153 -16.036 2.941 1.00 0.00 C ATOM 389 CG GLN A 24 1.751 -16.279 2.411 1.00 0.00 C ATOM 390 CD GLN A 24 0.687 -16.021 3.459 1.00 0.00 C ATOM 391 OE1 GLN A 24 0.862 -15.185 4.346 1.00 0.00 O ATOM 392 NE2 GLN A 24 -0.423 -16.743 3.365 1.00 0.00 N ATOM 0 H GLN A 24 3.344 -13.868 0.974 1.00 0.00 H new ATOM 0 HA GLN A 24 5.149 -15.831 2.160 1.00 0.00 H new ATOM 0 HB2 GLN A 24 3.524 -16.950 3.406 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.114 -15.275 3.720 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.574 -15.634 1.550 1.00 0.00 H new ATOM 0 HG3 GLN A 24 1.671 -17.308 2.061 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -0.526 -17.425 2.613 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -1.173 -16.616 4.044 1.00 0.00 H new ATOM 401 N ARG A 25 3.930 -17.648 0.621 1.00 0.00 N ATOM 402 CA ARG A 25 3.606 -18.508 -0.514 1.00 0.00 C ATOM 403 C ARG A 25 2.242 -18.169 -1.111 1.00 0.00 C ATOM 404 O ARG A 25 2.079 -18.123 -2.329 1.00 0.00 O ATOM 405 CB ARG A 25 3.614 -19.966 -0.075 1.00 0.00 C ATOM 406 CG ARG A 25 3.203 -20.156 1.377 1.00 0.00 C ATOM 407 CD ARG A 25 2.468 -21.467 1.586 1.00 0.00 C ATOM 408 NE ARG A 25 1.483 -21.371 2.660 1.00 0.00 N ATOM 409 CZ ARG A 25 1.089 -22.409 3.393 1.00 0.00 C ATOM 410 NH1 ARG A 25 1.600 -23.612 3.171 1.00 0.00 N ATOM 411 NH2 ARG A 25 0.185 -22.243 4.349 1.00 0.00 N ATOM 0 H ARG A 25 4.255 -18.153 1.446 1.00 0.00 H new ATOM 0 HA ARG A 25 4.363 -18.341 -1.280 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.939 -20.535 -0.714 1.00 0.00 H new ATOM 0 HB3 ARG A 25 4.613 -20.377 -0.220 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.088 -20.130 2.012 1.00 0.00 H new ATOM 0 HG3 ARG A 25 2.565 -19.328 1.686 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.970 -21.756 0.661 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.186 -22.253 1.820 1.00 0.00 H new ATOM 0 HE ARG A 25 1.075 -20.458 2.859 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.296 -23.743 2.437 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.297 -24.407 3.734 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.209 -21.319 4.523 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.116 -23.040 4.910 1.00 0.00 H new ATOM 425 N ASN A 26 1.262 -17.954 -0.245 1.00 0.00 N ATOM 426 CA ASN A 26 -0.091 -17.620 -0.686 1.00 0.00 C ATOM 427 C ASN A 26 -0.771 -16.660 0.289 1.00 0.00 C ATOM 428 O ASN A 26 -1.706 -17.035 1.000 1.00 0.00 O ATOM 429 CB ASN A 26 -0.931 -18.889 -0.858 1.00 0.00 C ATOM 430 CG ASN A 26 -1.097 -19.664 0.434 1.00 0.00 C ATOM 431 OD1 ASN A 26 -0.205 -19.683 1.281 1.00 0.00 O ATOM 432 ND2 ASN A 26 -2.251 -20.302 0.593 1.00 0.00 N ATOM 0 H ASN A 26 1.375 -18.004 0.767 1.00 0.00 H new ATOM 0 HA ASN A 26 -0.012 -17.120 -1.651 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.914 -18.619 -1.243 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -0.462 -19.531 -1.604 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.426 -20.836 1.445 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.963 -20.258 -0.136 1.00 0.00 H new ATOM 439 N MET A 27 -0.304 -15.417 0.310 1.00 0.00 N ATOM 440 CA MET A 27 -0.864 -14.406 1.199 1.00 0.00 C ATOM 441 C MET A 27 -2.169 -13.853 0.643 1.00 0.00 C ATOM 442 O MET A 27 -3.164 -13.741 1.360 1.00 0.00 O ATOM 443 CB MET A 27 0.139 -13.267 1.405 1.00 0.00 C ATOM 444 CG MET A 27 -0.378 -12.148 2.295 1.00 0.00 C ATOM 445 SD MET A 27 -0.784 -12.713 3.959 1.00 0.00 S ATOM 446 CE MET A 27 -1.022 -11.151 4.803 1.00 0.00 C ATOM 0 H MET A 27 0.461 -15.085 -0.278 1.00 0.00 H new ATOM 0 HA MET A 27 -1.072 -14.878 2.159 1.00 0.00 H new ATOM 0 HB2 MET A 27 1.052 -13.673 1.841 1.00 0.00 H new ATOM 0 HB3 MET A 27 0.407 -12.852 0.434 1.00 0.00 H new ATOM 0 HG2 MET A 27 0.374 -11.361 2.356 1.00 0.00 H new ATOM 0 HG3 MET A 27 -1.264 -11.707 1.839 1.00 0.00 H new ATOM 0 HE1 MET A 27 -1.279 -11.336 5.846 1.00 0.00 H new ATOM 0 HE2 MET A 27 -0.103 -10.567 4.754 1.00 0.00 H new ATOM 0 HE3 MET A 27 -1.829 -10.597 4.323 1.00 0.00 H new ATOM 456 N ARG A 28 -2.155 -13.510 -0.638 1.00 0.00 N ATOM 457 CA ARG A 28 -3.327 -12.970 -1.299 1.00 0.00 C ATOM 458 C ARG A 28 -3.616 -13.741 -2.576 1.00 0.00 C ATOM 459 O ARG A 28 -2.722 -14.355 -3.162 1.00 0.00 O ATOM 460 CB ARG A 28 -3.121 -11.489 -1.623 1.00 0.00 C ATOM 461 CG ARG A 28 -2.939 -10.613 -0.395 1.00 0.00 C ATOM 462 CD ARG A 28 -2.715 -9.159 -0.777 1.00 0.00 C ATOM 463 NE ARG A 28 -2.617 -8.294 0.396 1.00 0.00 N ATOM 464 CZ ARG A 28 -2.845 -6.983 0.369 1.00 0.00 C ATOM 465 NH1 ARG A 28 -3.185 -6.388 -0.767 1.00 0.00 N ATOM 466 NH2 ARG A 28 -2.734 -6.267 1.479 1.00 0.00 N ATOM 0 H ARG A 28 -1.337 -13.599 -1.241 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.178 -13.070 -0.625 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.246 -11.385 -2.265 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.978 -11.128 -2.192 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.819 -10.691 0.243 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.090 -10.972 0.187 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.802 -9.076 -1.366 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.535 -8.820 -1.410 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.359 -8.719 1.287 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.272 -6.935 -1.623 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.359 -5.383 -0.784 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.474 -6.721 2.355 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.909 -5.262 1.457 1.00 0.00 H new ATOM 480 N LYS A 29 -4.868 -13.710 -2.994 1.00 0.00 N ATOM 481 CA LYS A 29 -5.288 -14.400 -4.205 1.00 0.00 C ATOM 482 C LYS A 29 -4.962 -13.565 -5.440 1.00 0.00 C ATOM 483 O LYS A 29 -5.803 -13.381 -6.322 1.00 0.00 O ATOM 484 CB LYS A 29 -6.787 -14.709 -4.151 1.00 0.00 C ATOM 485 CG LYS A 29 -7.147 -15.848 -3.205 1.00 0.00 C ATOM 486 CD LYS A 29 -6.952 -15.460 -1.747 1.00 0.00 C ATOM 487 CE LYS A 29 -7.397 -16.574 -0.813 1.00 0.00 C ATOM 488 NZ LYS A 29 -6.739 -17.870 -1.141 1.00 0.00 N ATOM 0 H LYS A 29 -5.617 -13.213 -2.512 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.741 -15.340 -4.271 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.323 -13.811 -3.844 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.133 -14.959 -5.154 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.185 -16.140 -3.367 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.532 -16.718 -3.434 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.902 -15.230 -1.567 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.518 -14.554 -1.531 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.165 -16.299 0.216 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.479 -16.690 -0.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.891 -18.543 -0.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.147 -18.255 -2.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.719 -17.718 -1.272 1.00 0.00 H new ATOM 502 N VAL A 30 -3.730 -13.061 -5.491 1.00 0.00 N ATOM 503 CA VAL A 30 -3.272 -12.246 -6.611 1.00 0.00 C ATOM 504 C VAL A 30 -3.264 -13.048 -7.909 1.00 0.00 C ATOM 505 O VAL A 30 -3.809 -14.151 -7.972 1.00 0.00 O ATOM 506 CB VAL A 30 -1.858 -11.686 -6.347 1.00 0.00 C ATOM 507 CG1 VAL A 30 -1.859 -10.787 -5.118 1.00 0.00 C ATOM 508 CG2 VAL A 30 -0.855 -12.817 -6.183 1.00 0.00 C ATOM 0 H VAL A 30 -3.029 -13.205 -4.764 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.971 -11.416 -6.712 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.560 -11.088 -7.208 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.854 -10.402 -4.948 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.544 -9.955 -5.277 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.180 -11.360 -4.248 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.135 -12.401 -5.998 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.148 -13.444 -5.341 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.832 -13.418 -7.092 1.00 0.00 H new ATOM 518 N ARG A 31 -2.648 -12.483 -8.941 1.00 0.00 N ATOM 519 CA ARG A 31 -2.569 -13.134 -10.245 1.00 0.00 C ATOM 520 C ARG A 31 -2.094 -14.578 -10.113 1.00 0.00 C ATOM 521 O ARG A 31 -2.809 -15.512 -10.473 1.00 0.00 O ATOM 522 CB ARG A 31 -1.630 -12.353 -11.164 1.00 0.00 C ATOM 523 CG ARG A 31 -2.212 -12.071 -12.539 1.00 0.00 C ATOM 524 CD ARG A 31 -2.115 -13.284 -13.453 1.00 0.00 C ATOM 525 NE ARG A 31 -3.034 -14.349 -13.063 1.00 0.00 N ATOM 526 CZ ARG A 31 -3.020 -15.567 -13.597 1.00 0.00 C ATOM 527 NH1 ARG A 31 -2.135 -15.873 -14.536 1.00 0.00 N ATOM 528 NH2 ARG A 31 -3.893 -16.481 -13.194 1.00 0.00 N ATOM 0 H ARG A 31 -2.194 -11.571 -8.900 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.569 -13.146 -10.679 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.374 -11.407 -10.687 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.702 -12.913 -11.280 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.256 -11.774 -12.438 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.685 -11.231 -12.992 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.328 -12.981 -14.478 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.094 -13.665 -13.439 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.725 -14.148 -12.341 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.463 -15.173 -14.851 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.127 -16.808 -14.944 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.577 -16.250 -12.473 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.880 -17.414 -13.605 1.00 0.00 H new ATOM 542 N GLY A 32 -0.882 -14.753 -9.595 1.00 0.00 N ATOM 543 CA GLY A 32 -0.332 -16.086 -9.419 1.00 0.00 C ATOM 544 C GLY A 32 -0.097 -16.422 -7.958 1.00 0.00 C ATOM 545 O GLY A 32 -0.835 -15.953 -7.091 1.00 0.00 O ATOM 0 H GLY A 32 -0.270 -13.995 -9.294 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.013 -16.818 -9.853 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.609 -16.164 -9.964 1.00 0.00 H new ATOM 549 N PRO A 33 0.926 -17.240 -7.647 1.00 0.00 N ATOM 550 CA PRO A 33 1.240 -17.620 -6.278 1.00 0.00 C ATOM 551 C PRO A 33 2.194 -16.623 -5.618 1.00 0.00 C ATOM 552 O PRO A 33 3.314 -16.427 -6.092 1.00 0.00 O ATOM 553 CB PRO A 33 1.912 -18.978 -6.452 1.00 0.00 C ATOM 554 CG PRO A 33 2.576 -18.917 -7.790 1.00 0.00 C ATOM 555 CD PRO A 33 1.863 -17.855 -8.600 1.00 0.00 C ATOM 0 HA PRO A 33 0.362 -17.643 -5.633 1.00 0.00 H new ATOM 0 HB2 PRO A 33 2.638 -19.163 -5.660 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.182 -19.787 -6.411 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.633 -18.673 -7.683 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.521 -19.884 -8.291 1.00 0.00 H new ATOM 0 HD2 PRO A 33 2.564 -17.121 -8.999 1.00 0.00 H new ATOM 0 HD3 PRO A 33 1.338 -18.289 -9.451 1.00 0.00 H new ATOM 563 N PRO A 34 1.766 -15.978 -4.517 1.00 0.00 N ATOM 564 CA PRO A 34 2.591 -14.999 -3.808 1.00 0.00 C ATOM 565 C PRO A 34 3.925 -15.583 -3.350 1.00 0.00 C ATOM 566 O PRO A 34 3.975 -16.604 -2.676 1.00 0.00 O ATOM 567 CB PRO A 34 1.726 -14.576 -2.618 1.00 0.00 C ATOM 568 CG PRO A 34 0.340 -14.935 -3.005 1.00 0.00 C ATOM 569 CD PRO A 34 0.460 -16.157 -3.872 1.00 0.00 C ATOM 0 HA PRO A 34 2.866 -14.161 -4.449 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.028 -15.093 -1.707 1.00 0.00 H new ATOM 0 HB3 PRO A 34 1.817 -13.507 -2.424 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -0.271 -15.138 -2.126 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -0.139 -14.118 -3.545 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.423 -17.074 -3.284 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.347 -16.214 -4.603 1.00 0.00 H new ATOM 577 N VAL A 35 5.009 -14.931 -3.751 1.00 0.00 N ATOM 578 CA VAL A 35 6.356 -15.366 -3.396 1.00 0.00 C ATOM 579 C VAL A 35 7.273 -14.162 -3.228 1.00 0.00 C ATOM 580 O VAL A 35 7.636 -13.788 -2.113 1.00 0.00 O ATOM 581 CB VAL A 35 6.954 -16.306 -4.464 1.00 0.00 C ATOM 582 CG1 VAL A 35 8.372 -16.714 -4.090 1.00 0.00 C ATOM 583 CG2 VAL A 35 6.077 -17.535 -4.654 1.00 0.00 C ATOM 0 H VAL A 35 4.981 -14.090 -4.328 1.00 0.00 H new ATOM 0 HA VAL A 35 6.280 -15.913 -2.456 1.00 0.00 H new ATOM 0 HB VAL A 35 6.991 -15.764 -5.409 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.774 -17.376 -4.857 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.998 -15.825 -4.014 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.360 -17.233 -3.132 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.518 -18.183 -5.411 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.001 -18.077 -3.712 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.082 -17.226 -4.975 1.00 0.00 H new ATOM 593 N SER A 36 7.639 -13.558 -4.355 1.00 0.00 N ATOM 594 CA SER A 36 8.506 -12.388 -4.361 1.00 0.00 C ATOM 595 C SER A 36 7.968 -11.341 -5.329 1.00 0.00 C ATOM 596 O SER A 36 8.198 -11.419 -6.536 1.00 0.00 O ATOM 597 CB SER A 36 9.932 -12.782 -4.752 1.00 0.00 C ATOM 598 OG SER A 36 10.794 -11.658 -4.741 1.00 0.00 O ATOM 0 H SER A 36 7.345 -13.864 -5.282 1.00 0.00 H new ATOM 0 HA SER A 36 8.525 -11.964 -3.357 1.00 0.00 H new ATOM 0 HB2 SER A 36 10.306 -13.537 -4.061 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.929 -13.232 -5.745 1.00 0.00 H new ATOM 0 HG SER A 36 10.601 -11.090 -5.516 1.00 0.00 H new ATOM 604 N CYS A 37 7.244 -10.368 -4.783 1.00 0.00 N ATOM 605 CA CYS A 37 6.653 -9.297 -5.578 1.00 0.00 C ATOM 606 C CYS A 37 7.680 -8.696 -6.533 1.00 0.00 C ATOM 607 O CYS A 37 7.403 -8.505 -7.716 1.00 0.00 O ATOM 608 CB CYS A 37 6.096 -8.216 -4.654 1.00 0.00 C ATOM 609 SG CYS A 37 4.751 -7.228 -5.381 1.00 0.00 S ATOM 0 H CYS A 37 7.052 -10.300 -3.784 1.00 0.00 H new ATOM 0 HA CYS A 37 5.842 -9.715 -6.174 1.00 0.00 H new ATOM 0 HB2 CYS A 37 5.732 -8.687 -3.741 1.00 0.00 H new ATOM 0 HB3 CYS A 37 6.907 -7.547 -4.366 1.00 0.00 H new ATOM 614 N ILE A 38 8.863 -8.394 -6.008 1.00 0.00 N ATOM 615 CA ILE A 38 9.937 -7.832 -6.815 1.00 0.00 C ATOM 616 C ILE A 38 11.173 -8.725 -6.770 1.00 0.00 C ATOM 617 O ILE A 38 11.556 -9.216 -5.708 1.00 0.00 O ATOM 618 CB ILE A 38 10.318 -6.415 -6.341 1.00 0.00 C ATOM 619 CG1 ILE A 38 9.099 -5.489 -6.396 1.00 0.00 C ATOM 620 CG2 ILE A 38 11.453 -5.860 -7.191 1.00 0.00 C ATOM 621 CD1 ILE A 38 8.559 -5.271 -7.795 1.00 0.00 C ATOM 0 H ILE A 38 9.101 -8.530 -5.026 1.00 0.00 H new ATOM 0 HA ILE A 38 9.569 -7.772 -7.839 1.00 0.00 H new ATOM 0 HB ILE A 38 10.659 -6.472 -5.307 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.309 -5.907 -5.773 1.00 0.00 H new ATOM 0 HG13 ILE A 38 9.368 -4.524 -5.966 1.00 0.00 H new ATOM 0 HG21 ILE A 38 11.711 -4.859 -6.845 1.00 0.00 H new ATOM 0 HG22 ILE A 38 12.324 -6.510 -7.104 1.00 0.00 H new ATOM 0 HG23 ILE A 38 11.138 -5.813 -8.233 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.697 -4.605 -7.753 1.00 0.00 H new ATOM 0 HD12 ILE A 38 9.333 -4.823 -8.418 1.00 0.00 H new ATOM 0 HD13 ILE A 38 8.258 -6.228 -8.222 1.00 0.00 H new ATOM 633 N LYS A 39 11.792 -8.933 -7.929 1.00 0.00 N ATOM 634 CA LYS A 39 12.980 -9.775 -8.021 1.00 0.00 C ATOM 635 C LYS A 39 14.205 -8.964 -8.431 1.00 0.00 C ATOM 636 O LYS A 39 15.253 -9.528 -8.746 1.00 0.00 O ATOM 637 CB LYS A 39 12.755 -10.899 -9.035 1.00 0.00 C ATOM 638 CG LYS A 39 11.566 -11.788 -8.714 1.00 0.00 C ATOM 639 CD LYS A 39 11.349 -12.828 -9.801 1.00 0.00 C ATOM 640 CE LYS A 39 10.192 -13.756 -9.466 1.00 0.00 C ATOM 641 NZ LYS A 39 8.899 -13.022 -9.386 1.00 0.00 N ATOM 0 H LYS A 39 11.491 -8.530 -8.816 1.00 0.00 H new ATOM 0 HA LYS A 39 13.160 -10.201 -7.034 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.612 -10.461 -10.023 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.653 -11.514 -9.086 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.728 -12.286 -7.758 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.670 -11.177 -8.607 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.152 -12.328 -10.749 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.259 -13.413 -9.932 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.121 -14.536 -10.224 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.388 -14.252 -8.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.113 -13.684 -9.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.802 -12.591 -8.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.877 -12.277 -10.112 1.00 0.00 H new ATOM 655 N ARG A 40 14.072 -7.641 -8.428 1.00 0.00 N ATOM 656 CA ARG A 40 15.178 -6.771 -8.816 1.00 0.00 C ATOM 657 C ARG A 40 15.316 -5.577 -7.874 1.00 0.00 C ATOM 658 O ARG A 40 16.020 -5.651 -6.865 1.00 0.00 O ATOM 659 CB ARG A 40 14.984 -6.286 -10.255 1.00 0.00 C ATOM 660 CG ARG A 40 14.991 -7.407 -11.281 1.00 0.00 C ATOM 661 CD ARG A 40 14.609 -6.900 -12.661 1.00 0.00 C ATOM 662 NE ARG A 40 13.225 -6.436 -12.709 1.00 0.00 N ATOM 663 CZ ARG A 40 12.826 -5.369 -13.397 1.00 0.00 C ATOM 664 NH1 ARG A 40 13.704 -4.654 -14.088 1.00 0.00 N ATOM 665 NH2 ARG A 40 11.547 -5.017 -13.393 1.00 0.00 N ATOM 0 H ARG A 40 13.217 -7.151 -8.164 1.00 0.00 H new ATOM 0 HA ARG A 40 16.097 -7.353 -8.750 1.00 0.00 H new ATOM 0 HB2 ARG A 40 14.039 -5.748 -10.324 1.00 0.00 H new ATOM 0 HB3 ARG A 40 15.774 -5.576 -10.500 1.00 0.00 H new ATOM 0 HG2 ARG A 40 15.982 -7.860 -11.320 1.00 0.00 H new ATOM 0 HG3 ARG A 40 14.295 -8.188 -10.973 1.00 0.00 H new ATOM 0 HD2 ARG A 40 15.275 -6.085 -12.945 1.00 0.00 H new ATOM 0 HD3 ARG A 40 14.750 -7.696 -13.392 1.00 0.00 H new ATOM 0 HE ARG A 40 12.524 -6.960 -12.185 1.00 0.00 H new ATOM 0 HH11 ARG A 40 14.688 -4.921 -14.093 1.00 0.00 H new ATOM 0 HH12 ARG A 40 13.395 -3.837 -14.614 1.00 0.00 H new ATOM 0 HH21 ARG A 40 10.869 -5.564 -12.862 1.00 0.00 H new ATOM 0 HH22 ARG A 40 11.241 -4.199 -13.920 1.00 0.00 H new ATOM 679 N ASP A 41 14.642 -4.478 -8.206 1.00 0.00 N ATOM 680 CA ASP A 41 14.703 -3.266 -7.394 1.00 0.00 C ATOM 681 C ASP A 41 14.009 -3.460 -6.051 1.00 0.00 C ATOM 682 O ASP A 41 12.782 -3.411 -5.962 1.00 0.00 O ATOM 683 CB ASP A 41 14.067 -2.094 -8.141 1.00 0.00 C ATOM 684 CG ASP A 41 14.718 -1.844 -9.487 1.00 0.00 C ATOM 685 OD1 ASP A 41 15.694 -1.066 -9.538 1.00 0.00 O ATOM 686 OD2 ASP A 41 14.253 -2.426 -10.489 1.00 0.00 O ATOM 0 H ASP A 41 14.048 -4.402 -9.031 1.00 0.00 H new ATOM 0 HA ASP A 41 15.754 -3.047 -7.206 1.00 0.00 H new ATOM 0 HB2 ASP A 41 13.005 -2.292 -8.286 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.143 -1.194 -7.531 1.00 0.00 H new ATOM 691 N SER A 42 14.802 -3.669 -5.007 1.00 0.00 N ATOM 692 CA SER A 42 14.264 -3.866 -3.666 1.00 0.00 C ATOM 693 C SER A 42 13.827 -2.540 -3.023 1.00 0.00 C ATOM 694 O SER A 42 12.795 -2.499 -2.351 1.00 0.00 O ATOM 695 CB SER A 42 15.283 -4.585 -2.773 1.00 0.00 C ATOM 696 OG SER A 42 16.517 -3.891 -2.725 1.00 0.00 O ATOM 0 H SER A 42 15.820 -3.706 -5.063 1.00 0.00 H new ATOM 0 HA SER A 42 13.377 -4.492 -3.762 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.880 -4.681 -1.765 1.00 0.00 H new ATOM 0 HB3 SER A 42 15.448 -5.595 -3.148 1.00 0.00 H new ATOM 0 HG SER A 42 16.514 -3.271 -1.966 1.00 0.00 H new ATOM 702 N PRO A 43 14.589 -1.434 -3.205 1.00 0.00 N ATOM 703 CA PRO A 43 14.225 -0.139 -2.619 1.00 0.00 C ATOM 704 C PRO A 43 13.077 0.540 -3.365 1.00 0.00 C ATOM 705 O PRO A 43 11.948 0.581 -2.876 1.00 0.00 O ATOM 706 CB PRO A 43 15.509 0.680 -2.743 1.00 0.00 C ATOM 707 CG PRO A 43 16.208 0.112 -3.928 1.00 0.00 C ATOM 708 CD PRO A 43 15.851 -1.350 -3.972 1.00 0.00 C ATOM 0 HA PRO A 43 13.868 -0.242 -1.594 1.00 0.00 H new ATOM 0 HB2 PRO A 43 15.291 1.739 -2.882 1.00 0.00 H new ATOM 0 HB3 PRO A 43 16.121 0.596 -1.845 1.00 0.00 H new ATOM 0 HG2 PRO A 43 15.894 0.616 -4.842 1.00 0.00 H new ATOM 0 HG3 PRO A 43 17.286 0.246 -3.844 1.00 0.00 H new ATOM 0 HD2 PRO A 43 15.719 -1.698 -4.997 1.00 0.00 H new ATOM 0 HD3 PRO A 43 16.632 -1.965 -3.524 1.00 0.00 H new ATOM 716 N ILE A 44 13.372 1.074 -4.547 1.00 0.00 N ATOM 717 CA ILE A 44 12.364 1.750 -5.355 1.00 0.00 C ATOM 718 C ILE A 44 12.607 1.518 -6.844 1.00 0.00 C ATOM 719 O ILE A 44 13.752 1.468 -7.295 1.00 0.00 O ATOM 720 CB ILE A 44 12.347 3.267 -5.074 1.00 0.00 C ATOM 721 CG1 ILE A 44 11.258 3.956 -5.903 1.00 0.00 C ATOM 722 CG2 ILE A 44 13.712 3.875 -5.367 1.00 0.00 C ATOM 723 CD1 ILE A 44 11.070 5.420 -5.564 1.00 0.00 C ATOM 0 H ILE A 44 14.302 1.051 -4.966 1.00 0.00 H new ATOM 0 HA ILE A 44 11.398 1.327 -5.080 1.00 0.00 H new ATOM 0 HB ILE A 44 12.120 3.422 -4.019 1.00 0.00 H new ATOM 0 HG12 ILE A 44 11.507 3.866 -6.960 1.00 0.00 H new ATOM 0 HG13 ILE A 44 10.314 3.433 -5.752 1.00 0.00 H new ATOM 0 HG21 ILE A 44 13.685 4.946 -5.164 1.00 0.00 H new ATOM 0 HG22 ILE A 44 14.464 3.405 -4.733 1.00 0.00 H new ATOM 0 HG23 ILE A 44 13.966 3.711 -6.414 1.00 0.00 H new ATOM 0 HD11 ILE A 44 10.283 5.840 -6.191 1.00 0.00 H new ATOM 0 HD12 ILE A 44 10.790 5.518 -4.515 1.00 0.00 H new ATOM 0 HD13 ILE A 44 12.002 5.957 -5.742 1.00 0.00 H new ATOM 735 N GLN A 45 11.523 1.376 -7.599 1.00 0.00 N ATOM 736 CA GLN A 45 11.617 1.154 -9.037 1.00 0.00 C ATOM 737 C GLN A 45 10.823 2.209 -9.800 1.00 0.00 C ATOM 738 O GLN A 45 11.101 2.489 -10.966 1.00 0.00 O ATOM 739 CB GLN A 45 11.103 -0.243 -9.395 1.00 0.00 C ATOM 740 CG GLN A 45 9.637 -0.456 -9.056 1.00 0.00 C ATOM 741 CD GLN A 45 9.139 -1.837 -9.438 1.00 0.00 C ATOM 742 OE1 GLN A 45 8.247 -2.386 -8.792 1.00 0.00 O ATOM 743 NE2 GLN A 45 9.710 -2.403 -10.494 1.00 0.00 N ATOM 0 H GLN A 45 10.569 1.411 -7.239 1.00 0.00 H new ATOM 0 HA GLN A 45 12.666 1.232 -9.324 1.00 0.00 H new ATOM 0 HB2 GLN A 45 11.249 -0.413 -10.462 1.00 0.00 H new ATOM 0 HB3 GLN A 45 11.701 -0.987 -8.869 1.00 0.00 H new ATOM 0 HG2 GLN A 45 9.491 -0.305 -7.986 1.00 0.00 H new ATOM 0 HG3 GLN A 45 9.037 0.296 -9.569 1.00 0.00 H new ATOM 0 HE21 GLN A 45 10.446 -1.911 -11.000 1.00 0.00 H new ATOM 0 HE22 GLN A 45 9.412 -3.330 -10.799 1.00 0.00 H new ATOM 752 N CYS A 46 9.833 2.792 -9.128 1.00 0.00 N ATOM 753 CA CYS A 46 8.991 3.816 -9.735 1.00 0.00 C ATOM 754 C CYS A 46 9.644 5.195 -9.615 1.00 0.00 C ATOM 755 O CYS A 46 10.765 5.316 -9.119 1.00 0.00 O ATOM 756 CB CYS A 46 7.609 3.817 -9.072 1.00 0.00 C ATOM 757 SG CYS A 46 6.378 4.877 -9.892 1.00 0.00 S ATOM 0 H CYS A 46 9.595 2.571 -8.161 1.00 0.00 H new ATOM 0 HA CYS A 46 8.874 3.588 -10.794 1.00 0.00 H new ATOM 0 HB2 CYS A 46 7.231 2.795 -9.048 1.00 0.00 H new ATOM 0 HB3 CYS A 46 7.717 4.141 -8.037 1.00 0.00 H new ATOM 762 N ILE A 47 8.936 6.222 -10.081 1.00 0.00 N ATOM 763 CA ILE A 47 9.425 7.597 -10.041 1.00 0.00 C ATOM 764 C ILE A 47 10.027 7.947 -8.676 1.00 0.00 C ATOM 765 O ILE A 47 11.229 7.780 -8.464 1.00 0.00 O ATOM 766 CB ILE A 47 8.295 8.596 -10.383 1.00 0.00 C ATOM 767 CG1 ILE A 47 7.508 8.124 -11.612 1.00 0.00 C ATOM 768 CG2 ILE A 47 8.866 9.985 -10.624 1.00 0.00 C ATOM 769 CD1 ILE A 47 8.377 7.734 -12.785 1.00 0.00 C ATOM 0 H ILE A 47 8.009 6.124 -10.496 1.00 0.00 H new ATOM 0 HA ILE A 47 10.211 7.676 -10.792 1.00 0.00 H new ATOM 0 HB ILE A 47 7.613 8.643 -9.534 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.891 7.271 -11.330 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.830 8.918 -11.924 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.057 10.675 -10.863 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.381 10.327 -9.726 1.00 0.00 H new ATOM 0 HG23 ILE A 47 9.570 9.950 -11.455 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.746 7.412 -13.614 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.975 8.591 -13.096 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.037 6.917 -12.493 1.00 0.00 H new ATOM 781 N GLN A 48 9.197 8.438 -7.758 1.00 0.00 N ATOM 782 CA GLN A 48 9.667 8.799 -6.420 1.00 0.00 C ATOM 783 C GLN A 48 8.503 8.985 -5.447 1.00 0.00 C ATOM 784 O GLN A 48 8.113 8.047 -4.752 1.00 0.00 O ATOM 785 CB GLN A 48 10.526 10.069 -6.462 1.00 0.00 C ATOM 786 CG GLN A 48 10.135 11.048 -7.558 1.00 0.00 C ATOM 787 CD GLN A 48 10.605 12.461 -7.274 1.00 0.00 C ATOM 788 OE1 GLN A 48 11.634 12.668 -6.630 1.00 0.00 O ATOM 789 NE2 GLN A 48 9.848 13.442 -7.750 1.00 0.00 N ATOM 0 H GLN A 48 8.201 8.595 -7.913 1.00 0.00 H new ATOM 0 HA GLN A 48 10.281 7.973 -6.061 1.00 0.00 H new ATOM 0 HB2 GLN A 48 10.457 10.573 -5.498 1.00 0.00 H new ATOM 0 HB3 GLN A 48 11.569 9.785 -6.599 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.556 10.713 -8.506 1.00 0.00 H new ATOM 0 HG3 GLN A 48 9.051 11.046 -7.672 1.00 0.00 H new ATOM 0 HE21 GLN A 48 9.003 13.224 -8.279 1.00 0.00 H new ATOM 0 HE22 GLN A 48 10.111 14.414 -7.587 1.00 0.00 H new ATOM 798 N ALA A 49 7.957 10.197 -5.395 1.00 0.00 N ATOM 799 CA ALA A 49 6.841 10.498 -4.506 1.00 0.00 C ATOM 800 C ALA A 49 5.887 11.503 -5.144 1.00 0.00 C ATOM 801 O ALA A 49 4.910 11.064 -5.787 1.00 0.00 O ATOM 802 CB ALA A 49 7.355 11.024 -3.173 1.00 0.00 C ATOM 803 OXT ALA A 49 6.125 12.721 -4.995 1.00 0.00 O ATOM 0 H ALA A 49 8.270 10.987 -5.959 1.00 0.00 H new ATOM 0 HA ALA A 49 6.289 9.575 -4.330 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.511 11.245 -2.519 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.990 10.271 -2.705 1.00 0.00 H new ATOM 0 HB3 ALA A 49 7.933 11.933 -3.339 1.00 0.00 H new TER 809 ALA A 49