USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 679 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 50 SER OG : rot 180:sc= -0.0377 USER MOD Set 1.2: A 53 GLN : amide:sc= 0 X(o=-0.038,f=-0.038) USER MOD Set 2.1: A 41 GLN : amide:sc= -6.46! C(o=-6.3!,f=-9.1!) USER MOD Set 2.2: A 44 SER OG : rot -72:sc= 0.116 USER MOD Set 3.1: A 40 LYS NZ :NH3+ 180:sc= 1.19 (180deg=0) USER MOD Set 3.2: A 55 SER OG : rot -70:sc= 0.949 USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.0898 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN :FLIP amide:sc= -1.29 F(o=-2.1,f=-1.3) USER MOD Single : A 18 SER OG : rot -63:sc= 0.384 USER MOD Single : A 20 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0766) USER MOD Single : A 26 MET CE :methyl 166:sc= -2.24 (180deg=-2.77!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS :FLIP no HE2:sc= -6.73! C(o=-9.4!,f=-6.7!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 0:sc= -2.19! USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl -174:sc= -0.517 (180deg=-0.549) USER MOD Single : A 46 LYS NZ :NH3+ 157:sc= -0.0331 (180deg=-0.386) USER MOD Single : A 47 THR OG1 : rot -140:sc= -0.384 USER MOD Single : A 48 ASN : amide:sc= -1.08 K(o=-1.1,f=-3.3!) USER MOD Single : A 56 ASN :FLIP amide:sc= -3.13! C(o=-4.1!,f=-3.1!) USER MOD Single : A 60 ASN : amide:sc= -0.562 K(o=-0.56,f=-1.1) USER MOD Single : A 69 MET CE :methyl -171:sc= -3.25! (180deg=-3.34!) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 75 ASN : amide:sc= -0.0598 K(o=-0.06,f=-1.9!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 39:sc= 0.843 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.462 -29.647 1.523 1.00 0.00 N ATOM 2 CA GLY A 1 2.863 -28.332 1.659 1.00 0.00 C ATOM 3 C GLY A 1 1.354 -28.392 1.779 1.00 0.00 C ATOM 4 O GLY A 1 0.774 -29.474 1.874 1.00 0.00 O ATOM 0 H1 GLY A 1 4.013 -29.868 2.377 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.713 -30.358 1.400 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.090 -29.658 0.694 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.275 -27.838 2.539 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.132 -27.723 0.796 1.00 0.00 H new ATOM 8 N SER A 2 0.714 -27.227 1.777 1.00 0.00 N ATOM 9 CA SER A 2 -0.737 -27.151 1.892 1.00 0.00 C ATOM 10 C SER A 2 -1.267 -25.874 1.248 1.00 0.00 C ATOM 11 O SER A 2 -0.657 -24.810 1.358 1.00 0.00 O ATOM 12 CB SER A 2 -1.157 -27.207 3.362 1.00 0.00 C ATOM 13 OG SER A 2 -2.450 -27.771 3.502 1.00 0.00 O ATOM 0 H SER A 2 1.178 -26.322 1.697 1.00 0.00 H new ATOM 0 HA SER A 2 -1.164 -28.006 1.367 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.436 -27.798 3.927 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.147 -26.202 3.785 1.00 0.00 H new ATOM 0 HG SER A 2 -2.694 -27.797 4.451 1.00 0.00 H new ATOM 19 N SER A 3 -2.408 -25.986 0.576 1.00 0.00 N ATOM 20 CA SER A 3 -3.020 -24.842 -0.089 1.00 0.00 C ATOM 21 C SER A 3 -4.516 -24.780 0.203 1.00 0.00 C ATOM 22 O SER A 3 -5.072 -25.668 0.848 1.00 0.00 O ATOM 23 CB SER A 3 -2.786 -24.918 -1.599 1.00 0.00 C ATOM 24 OG SER A 3 -1.531 -24.363 -1.950 1.00 0.00 O ATOM 0 H SER A 3 -2.928 -26.858 0.478 1.00 0.00 H new ATOM 0 HA SER A 3 -2.554 -23.936 0.299 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.831 -25.957 -1.925 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.581 -24.385 -2.120 1.00 0.00 H new ATOM 0 HG SER A 3 -1.405 -24.426 -2.920 1.00 0.00 H new ATOM 30 N GLY A 4 -5.163 -23.722 -0.278 1.00 0.00 N ATOM 31 CA GLY A 4 -6.589 -23.562 -0.059 1.00 0.00 C ATOM 32 C GLY A 4 -7.046 -22.128 -0.240 1.00 0.00 C ATOM 33 O GLY A 4 -6.565 -21.225 0.445 1.00 0.00 O ATOM 0 H GLY A 4 -4.725 -22.973 -0.815 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.134 -24.204 -0.751 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.838 -23.895 0.948 1.00 0.00 H new ATOM 37 N SER A 5 -7.975 -21.917 -1.166 1.00 0.00 N ATOM 38 CA SER A 5 -8.493 -20.582 -1.439 1.00 0.00 C ATOM 39 C SER A 5 -9.993 -20.627 -1.717 1.00 0.00 C ATOM 40 O SER A 5 -10.441 -21.272 -2.664 1.00 0.00 O ATOM 41 CB SER A 5 -7.761 -19.961 -2.631 1.00 0.00 C ATOM 42 OG SER A 5 -8.244 -18.657 -2.903 1.00 0.00 O ATOM 0 H SER A 5 -8.385 -22.654 -1.740 1.00 0.00 H new ATOM 0 HA SER A 5 -8.323 -19.966 -0.556 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.692 -19.920 -2.424 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.892 -20.591 -3.511 1.00 0.00 H new ATOM 0 HG SER A 5 -7.759 -18.281 -3.667 1.00 0.00 H new ATOM 48 N SER A 6 -10.764 -19.937 -0.882 1.00 0.00 N ATOM 49 CA SER A 6 -12.213 -19.900 -1.034 1.00 0.00 C ATOM 50 C SER A 6 -12.753 -18.500 -0.760 1.00 0.00 C ATOM 51 O SER A 6 -12.211 -17.763 0.063 1.00 0.00 O ATOM 52 CB SER A 6 -12.872 -20.907 -0.089 1.00 0.00 C ATOM 53 OG SER A 6 -14.115 -21.352 -0.604 1.00 0.00 O ATOM 0 H SER A 6 -10.409 -19.396 -0.093 1.00 0.00 H new ATOM 0 HA SER A 6 -12.452 -20.168 -2.063 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.209 -21.760 0.058 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.023 -20.448 0.888 1.00 0.00 H new ATOM 0 HG SER A 6 -14.515 -21.996 0.017 1.00 0.00 H new ATOM 59 N GLY A 7 -13.827 -18.139 -1.457 1.00 0.00 N ATOM 60 CA GLY A 7 -14.423 -16.829 -1.276 1.00 0.00 C ATOM 61 C GLY A 7 -15.442 -16.502 -2.349 1.00 0.00 C ATOM 62 O GLY A 7 -15.637 -17.275 -3.287 1.00 0.00 O ATOM 0 H GLY A 7 -14.294 -18.731 -2.144 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.902 -16.783 -0.298 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.638 -16.072 -1.282 1.00 0.00 H new ATOM 66 N LYS A 8 -16.097 -15.354 -2.211 1.00 0.00 N ATOM 67 CA LYS A 8 -17.103 -14.925 -3.176 1.00 0.00 C ATOM 68 C LYS A 8 -16.580 -13.778 -4.034 1.00 0.00 C ATOM 69 O LYS A 8 -15.548 -13.180 -3.728 1.00 0.00 O ATOM 70 CB LYS A 8 -18.381 -14.495 -2.454 1.00 0.00 C ATOM 71 CG LYS A 8 -18.184 -13.311 -1.522 1.00 0.00 C ATOM 72 CD LYS A 8 -19.472 -12.948 -0.801 1.00 0.00 C ATOM 73 CE LYS A 8 -19.777 -13.929 0.321 1.00 0.00 C ATOM 74 NZ LYS A 8 -21.178 -13.795 0.807 1.00 0.00 N ATOM 0 H LYS A 8 -15.949 -14.703 -1.439 1.00 0.00 H new ATOM 0 HA LYS A 8 -17.328 -15.769 -3.828 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -19.139 -14.241 -3.195 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -18.766 -15.338 -1.880 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -17.411 -13.547 -0.791 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -17.831 -12.452 -2.093 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -19.391 -11.941 -0.393 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -20.298 -12.938 -1.512 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -19.610 -14.947 -0.031 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -19.088 -13.761 1.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -21.347 -14.480 1.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -21.330 -12.831 1.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -21.836 -13.980 0.024 1.00 0.00 H new ATOM 88 N LYS A 9 -17.298 -13.474 -5.110 1.00 0.00 N ATOM 89 CA LYS A 9 -16.909 -12.396 -6.011 1.00 0.00 C ATOM 90 C LYS A 9 -16.359 -11.206 -5.231 1.00 0.00 C ATOM 91 O LYS A 9 -15.291 -10.684 -5.550 1.00 0.00 O ATOM 92 CB LYS A 9 -18.105 -11.955 -6.858 1.00 0.00 C ATOM 93 CG LYS A 9 -18.391 -12.876 -8.032 1.00 0.00 C ATOM 94 CD LYS A 9 -19.261 -14.052 -7.620 1.00 0.00 C ATOM 95 CE LYS A 9 -19.846 -14.763 -8.830 1.00 0.00 C ATOM 96 NZ LYS A 9 -18.859 -15.677 -9.468 1.00 0.00 N ATOM 0 H LYS A 9 -18.153 -13.960 -5.379 1.00 0.00 H new ATOM 0 HA LYS A 9 -16.124 -12.771 -6.668 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -18.990 -11.903 -6.223 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -17.923 -10.948 -7.233 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -18.888 -12.315 -8.823 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -17.451 -13.244 -8.444 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -18.670 -14.756 -7.034 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -20.068 -13.701 -6.977 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -20.725 -15.332 -8.527 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -20.180 -14.024 -9.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -19.297 -16.142 -10.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -18.031 -15.130 -9.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -18.559 -16.398 -8.781 1.00 0.00 H new ATOM 110 N ARG A 10 -17.095 -10.785 -4.208 1.00 0.00 N ATOM 111 CA ARG A 10 -16.680 -9.657 -3.382 1.00 0.00 C ATOM 112 C ARG A 10 -17.150 -9.836 -1.942 1.00 0.00 C ATOM 113 O ARG A 10 -18.332 -10.065 -1.686 1.00 0.00 O ATOM 114 CB ARG A 10 -17.234 -8.349 -3.952 1.00 0.00 C ATOM 115 CG ARG A 10 -16.471 -7.841 -5.164 1.00 0.00 C ATOM 116 CD ARG A 10 -17.173 -6.656 -5.808 1.00 0.00 C ATOM 117 NE ARG A 10 -16.960 -5.421 -5.059 1.00 0.00 N ATOM 118 CZ ARG A 10 -17.098 -4.209 -5.586 1.00 0.00 C ATOM 119 NH1 ARG A 10 -17.450 -4.071 -6.857 1.00 0.00 N ATOM 120 NH2 ARG A 10 -16.887 -3.132 -4.840 1.00 0.00 N ATOM 0 H ARG A 10 -17.981 -11.207 -3.931 1.00 0.00 H new ATOM 0 HA ARG A 10 -15.591 -9.616 -3.388 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -18.279 -8.496 -4.226 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -17.213 -7.586 -3.174 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -15.464 -7.550 -4.866 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -16.368 -8.644 -5.893 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -16.809 -6.529 -6.827 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -18.242 -6.860 -5.874 1.00 0.00 H new ATOM 0 HE ARG A 10 -16.691 -5.492 -4.078 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -17.616 -4.896 -7.433 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -17.555 -3.139 -7.259 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -16.619 -3.234 -3.861 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -16.993 -2.202 -5.245 1.00 0.00 H new ATOM 134 N LYS A 11 -16.215 -9.730 -1.003 1.00 0.00 N ATOM 135 CA LYS A 11 -16.532 -9.879 0.413 1.00 0.00 C ATOM 136 C LYS A 11 -15.860 -8.786 1.238 1.00 0.00 C ATOM 137 O LYS A 11 -14.672 -8.869 1.546 1.00 0.00 O ATOM 138 CB LYS A 11 -16.089 -11.255 0.913 1.00 0.00 C ATOM 139 CG LYS A 11 -16.607 -11.594 2.300 1.00 0.00 C ATOM 140 CD LYS A 11 -16.027 -12.904 2.807 1.00 0.00 C ATOM 141 CE LYS A 11 -14.560 -12.757 3.179 1.00 0.00 C ATOM 142 NZ LYS A 11 -14.079 -13.900 4.004 1.00 0.00 N ATOM 0 H LYS A 11 -15.232 -9.541 -1.197 1.00 0.00 H new ATOM 0 HA LYS A 11 -17.612 -9.787 0.530 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -16.431 -12.015 0.211 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -15.000 -11.296 0.921 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -16.352 -10.791 2.991 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -17.695 -11.661 2.277 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -16.592 -13.241 3.676 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -16.134 -13.671 2.040 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -13.961 -12.687 2.271 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -14.416 -11.827 3.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.075 -13.762 4.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -14.634 -13.952 4.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -14.192 -14.785 3.470 1.00 0.00 H new ATOM 156 N GLY A 12 -16.630 -7.762 1.595 1.00 0.00 N ATOM 157 CA GLY A 12 -16.093 -6.668 2.383 1.00 0.00 C ATOM 158 C GLY A 12 -14.737 -6.208 1.886 1.00 0.00 C ATOM 159 O GLY A 12 -14.512 -6.104 0.681 1.00 0.00 O ATOM 0 H GLY A 12 -17.616 -7.671 1.352 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -16.789 -5.830 2.358 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -16.008 -6.981 3.424 1.00 0.00 H new ATOM 163 N ASN A 13 -13.830 -5.931 2.818 1.00 0.00 N ATOM 164 CA ASN A 13 -12.489 -5.477 2.468 1.00 0.00 C ATOM 165 C ASN A 13 -11.471 -5.936 3.507 1.00 0.00 C ATOM 166 O ASN A 13 -11.829 -6.279 4.635 1.00 0.00 O ATOM 167 CB ASN A 13 -12.459 -3.952 2.348 1.00 0.00 C ATOM 168 CG ASN A 13 -13.489 -3.429 1.365 1.00 0.00 C ATOM 169 OD1 ASN A 13 -13.383 -3.860 0.113 1.00 0.00 O flip ATOM 170 ND2 ASN A 13 -14.369 -2.648 1.727 1.00 0.00 N flip ATOM 0 H ASN A 13 -13.999 -6.013 3.820 1.00 0.00 H new ATOM 0 HA ASN A 13 -12.224 -5.916 1.506 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -12.638 -3.510 3.328 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -11.465 -3.635 2.032 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -14.412 -2.344 2.700 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -15.055 -2.305 1.054 1.00 0.00 H new ATOM 177 N LEU A 14 -10.200 -5.941 3.120 1.00 0.00 N ATOM 178 CA LEU A 14 -9.128 -6.358 4.018 1.00 0.00 C ATOM 179 C LEU A 14 -9.062 -5.452 5.243 1.00 0.00 C ATOM 180 O LEU A 14 -9.371 -4.261 5.183 1.00 0.00 O ATOM 181 CB LEU A 14 -7.786 -6.342 3.284 1.00 0.00 C ATOM 182 CG LEU A 14 -7.764 -7.014 1.911 1.00 0.00 C ATOM 183 CD1 LEU A 14 -6.637 -6.451 1.059 1.00 0.00 C ATOM 184 CD2 LEU A 14 -7.621 -8.522 2.058 1.00 0.00 C ATOM 0 H LEU A 14 -9.886 -5.661 2.191 1.00 0.00 H new ATOM 0 HA LEU A 14 -9.340 -7.374 4.351 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.473 -5.305 3.164 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.043 -6.828 3.916 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.709 -6.805 1.410 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.637 -6.941 0.085 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.782 -5.379 0.925 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.683 -6.629 1.555 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.607 -8.984 1.071 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.691 -8.750 2.579 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.462 -8.913 2.630 1.00 0.00 H new ATOM 196 N PRO A 15 -8.647 -6.026 6.382 1.00 0.00 N ATOM 197 CA PRO A 15 -8.527 -5.288 7.643 1.00 0.00 C ATOM 198 C PRO A 15 -7.382 -4.281 7.619 1.00 0.00 C ATOM 199 O PRO A 15 -6.276 -4.594 7.178 1.00 0.00 O ATOM 200 CB PRO A 15 -8.251 -6.386 8.673 1.00 0.00 C ATOM 201 CG PRO A 15 -7.629 -7.491 7.890 1.00 0.00 C ATOM 202 CD PRO A 15 -8.262 -7.440 6.527 1.00 0.00 C ATOM 0 HA PRO A 15 -9.419 -4.699 7.856 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -7.583 -6.033 9.459 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -9.170 -6.713 9.159 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -6.549 -7.362 7.824 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -7.806 -8.455 8.367 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -7.564 -7.748 5.748 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -9.126 -8.101 6.460 1.00 0.00 H new ATOM 210 N ALA A 16 -7.654 -3.070 8.095 1.00 0.00 N ATOM 211 CA ALA A 16 -6.645 -2.018 8.130 1.00 0.00 C ATOM 212 C ALA A 16 -5.272 -2.586 8.470 1.00 0.00 C ATOM 213 O ALA A 16 -4.335 -2.481 7.679 1.00 0.00 O ATOM 214 CB ALA A 16 -7.038 -0.944 9.134 1.00 0.00 C ATOM 0 H ALA A 16 -8.565 -2.793 8.462 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.588 -1.569 7.138 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.276 -0.165 9.150 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.995 -0.510 8.846 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -7.124 -1.387 10.126 1.00 0.00 H new ATOM 220 N GLU A 17 -5.160 -3.187 9.651 1.00 0.00 N ATOM 221 CA GLU A 17 -3.899 -3.769 10.094 1.00 0.00 C ATOM 222 C GLU A 17 -3.177 -4.451 8.936 1.00 0.00 C ATOM 223 O GLU A 17 -1.960 -4.334 8.793 1.00 0.00 O ATOM 224 CB GLU A 17 -4.145 -4.776 11.220 1.00 0.00 C ATOM 225 CG GLU A 17 -5.062 -5.921 10.824 1.00 0.00 C ATOM 226 CD GLU A 17 -5.151 -6.993 11.892 1.00 0.00 C ATOM 227 OE1 GLU A 17 -5.863 -6.775 12.894 1.00 0.00 O ATOM 228 OE2 GLU A 17 -4.508 -8.051 11.724 1.00 0.00 O ATOM 0 H GLU A 17 -5.927 -3.283 10.317 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.268 -2.963 10.468 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.188 -5.184 11.546 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.577 -4.255 12.074 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.059 -5.530 10.623 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.701 -6.366 9.897 1.00 0.00 H new ATOM 235 N SER A 18 -3.937 -5.166 8.111 1.00 0.00 N ATOM 236 CA SER A 18 -3.371 -5.871 6.968 1.00 0.00 C ATOM 237 C SER A 18 -3.141 -4.916 5.800 1.00 0.00 C ATOM 238 O SER A 18 -2.091 -4.943 5.158 1.00 0.00 O ATOM 239 CB SER A 18 -4.295 -7.011 6.535 1.00 0.00 C ATOM 240 OG SER A 18 -5.445 -6.512 5.874 1.00 0.00 O ATOM 0 H SER A 18 -4.946 -5.272 8.214 1.00 0.00 H new ATOM 0 HA SER A 18 -2.410 -6.287 7.270 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.756 -7.688 5.873 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.596 -7.591 7.408 1.00 0.00 H new ATOM 0 HG SER A 18 -5.961 -5.954 6.492 1.00 0.00 H new ATOM 246 N VAL A 19 -4.133 -4.073 5.530 1.00 0.00 N ATOM 247 CA VAL A 19 -4.040 -3.108 4.441 1.00 0.00 C ATOM 248 C VAL A 19 -2.765 -2.280 4.547 1.00 0.00 C ATOM 249 O VAL A 19 -2.016 -2.145 3.578 1.00 0.00 O ATOM 250 CB VAL A 19 -5.255 -2.161 4.425 1.00 0.00 C ATOM 251 CG1 VAL A 19 -5.133 -1.154 3.291 1.00 0.00 C ATOM 252 CG2 VAL A 19 -6.547 -2.954 4.309 1.00 0.00 C ATOM 0 H VAL A 19 -5.010 -4.039 6.050 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.022 -3.679 3.513 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.277 -1.611 5.366 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -6.000 -0.494 3.296 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.227 -0.563 3.425 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -5.085 -1.682 2.339 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -7.395 -2.269 4.299 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -6.537 -3.532 3.385 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -6.637 -3.630 5.159 1.00 0.00 H new ATOM 262 N LYS A 20 -2.522 -1.727 5.730 1.00 0.00 N ATOM 263 CA LYS A 20 -1.335 -0.912 5.965 1.00 0.00 C ATOM 264 C LYS A 20 -0.118 -1.509 5.267 1.00 0.00 C ATOM 265 O LYS A 20 0.672 -0.790 4.654 1.00 0.00 O ATOM 266 CB LYS A 20 -1.066 -0.789 7.467 1.00 0.00 C ATOM 267 CG LYS A 20 0.100 0.124 7.802 1.00 0.00 C ATOM 268 CD LYS A 20 0.710 -0.221 9.151 1.00 0.00 C ATOM 269 CE LYS A 20 2.014 0.526 9.381 1.00 0.00 C ATOM 270 NZ LYS A 20 3.120 -0.016 8.544 1.00 0.00 N ATOM 0 H LYS A 20 -3.131 -1.828 6.542 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.518 0.080 5.552 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.963 -0.414 7.959 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.869 -1.780 7.875 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.861 0.043 7.026 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.239 1.160 7.809 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.004 0.025 9.944 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.890 -1.295 9.206 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.872 1.583 9.155 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.289 0.460 10.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.025 0.388 8.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.152 -1.051 8.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.957 0.236 7.548 1.00 0.00 H new ATOM 284 N ILE A 21 0.026 -2.827 5.362 1.00 0.00 N ATOM 285 CA ILE A 21 1.145 -3.519 4.736 1.00 0.00 C ATOM 286 C ILE A 21 1.156 -3.297 3.227 1.00 0.00 C ATOM 287 O ILE A 21 2.196 -2.997 2.640 1.00 0.00 O ATOM 288 CB ILE A 21 1.101 -5.032 5.021 1.00 0.00 C ATOM 289 CG1 ILE A 21 1.429 -5.307 6.490 1.00 0.00 C ATOM 290 CG2 ILE A 21 2.070 -5.771 4.109 1.00 0.00 C ATOM 291 CD1 ILE A 21 0.213 -5.312 7.390 1.00 0.00 C ATOM 0 H ILE A 21 -0.618 -3.436 5.866 1.00 0.00 H new ATOM 0 HA ILE A 21 2.055 -3.102 5.168 1.00 0.00 H new ATOM 0 HB ILE A 21 0.093 -5.395 4.819 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.932 -6.271 6.567 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.130 -4.552 6.845 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.028 -6.839 4.322 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.795 -5.597 3.069 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.083 -5.406 4.282 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.521 -5.513 8.416 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.279 -4.340 7.342 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.480 -6.086 7.061 1.00 0.00 H new ATOM 303 N LEU A 22 -0.009 -3.446 2.605 1.00 0.00 N ATOM 304 CA LEU A 22 -0.136 -3.260 1.164 1.00 0.00 C ATOM 305 C LEU A 22 -0.001 -1.787 0.791 1.00 0.00 C ATOM 306 O LEU A 22 0.797 -1.426 -0.074 1.00 0.00 O ATOM 307 CB LEU A 22 -1.481 -3.800 0.677 1.00 0.00 C ATOM 308 CG LEU A 22 -1.708 -5.301 0.861 1.00 0.00 C ATOM 309 CD1 LEU A 22 -3.064 -5.708 0.305 1.00 0.00 C ATOM 310 CD2 LEU A 22 -0.595 -6.095 0.192 1.00 0.00 C ATOM 0 H LEU A 22 -0.879 -3.695 3.076 1.00 0.00 H new ATOM 0 HA LEU A 22 0.668 -3.814 0.679 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.275 -3.266 1.199 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.582 -3.565 -0.382 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.694 -5.523 1.928 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.208 -6.779 0.445 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.850 -5.165 0.829 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.107 -5.472 -0.758 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.773 -7.161 0.333 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.576 -5.868 -0.874 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.363 -5.825 0.637 1.00 0.00 H new ATOM 322 N ARG A 23 -0.785 -0.941 1.451 1.00 0.00 N ATOM 323 CA ARG A 23 -0.753 0.493 1.190 1.00 0.00 C ATOM 324 C ARG A 23 0.674 1.027 1.265 1.00 0.00 C ATOM 325 O ARG A 23 1.214 1.527 0.277 1.00 0.00 O ATOM 326 CB ARG A 23 -1.640 1.236 2.191 1.00 0.00 C ATOM 327 CG ARG A 23 -3.083 1.380 1.736 1.00 0.00 C ATOM 328 CD ARG A 23 -3.881 2.261 2.684 1.00 0.00 C ATOM 329 NE ARG A 23 -3.911 1.718 4.040 1.00 0.00 N ATOM 330 CZ ARG A 23 -4.270 2.425 5.106 1.00 0.00 C ATOM 331 NH1 ARG A 23 -4.627 3.695 4.975 1.00 0.00 N ATOM 332 NH2 ARG A 23 -4.272 1.861 6.307 1.00 0.00 N ATOM 0 H ARG A 23 -1.450 -1.224 2.171 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.134 0.662 0.183 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.619 0.707 3.144 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.223 2.227 2.367 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.109 1.806 0.733 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.547 0.395 1.676 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.446 3.260 2.703 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.900 2.364 2.312 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.642 0.744 4.176 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.627 4.132 4.054 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.902 4.235 5.796 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.998 0.884 6.412 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -4.548 2.404 7.125 1.00 0.00 H new ATOM 346 N ASP A 24 1.280 0.918 2.442 1.00 0.00 N ATOM 347 CA ASP A 24 2.645 1.390 2.646 1.00 0.00 C ATOM 348 C ASP A 24 3.505 1.115 1.416 1.00 0.00 C ATOM 349 O ASP A 24 4.350 1.929 1.044 1.00 0.00 O ATOM 350 CB ASP A 24 3.261 0.718 3.874 1.00 0.00 C ATOM 351 CG ASP A 24 4.332 1.572 4.525 1.00 0.00 C ATOM 352 OD1 ASP A 24 4.043 2.745 4.844 1.00 0.00 O ATOM 353 OD2 ASP A 24 5.457 1.067 4.717 1.00 0.00 O ATOM 0 H ASP A 24 0.848 0.507 3.269 1.00 0.00 H new ATOM 0 HA ASP A 24 2.610 2.467 2.809 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.477 0.507 4.601 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.692 -0.240 3.583 1.00 0.00 H new ATOM 358 N TRP A 25 3.283 -0.035 0.791 1.00 0.00 N ATOM 359 CA TRP A 25 4.038 -0.418 -0.397 1.00 0.00 C ATOM 360 C TRP A 25 3.502 0.292 -1.635 1.00 0.00 C ATOM 361 O TRP A 25 4.266 0.852 -2.420 1.00 0.00 O ATOM 362 CB TRP A 25 3.981 -1.933 -0.597 1.00 0.00 C ATOM 363 CG TRP A 25 4.641 -2.391 -1.862 1.00 0.00 C ATOM 364 CD1 TRP A 25 5.904 -2.894 -1.991 1.00 0.00 C ATOM 365 CD2 TRP A 25 4.073 -2.384 -3.176 1.00 0.00 C ATOM 366 NE1 TRP A 25 6.155 -3.201 -3.307 1.00 0.00 N ATOM 367 CE2 TRP A 25 5.048 -2.899 -4.054 1.00 0.00 C ATOM 368 CE3 TRP A 25 2.836 -1.996 -3.697 1.00 0.00 C ATOM 369 CZ2 TRP A 25 4.821 -3.032 -5.421 1.00 0.00 C ATOM 370 CZ3 TRP A 25 2.613 -2.129 -5.054 1.00 0.00 C ATOM 371 CH2 TRP A 25 3.601 -2.644 -5.903 1.00 0.00 C ATOM 0 H TRP A 25 2.586 -0.719 1.087 1.00 0.00 H new ATOM 0 HA TRP A 25 5.075 -0.118 -0.250 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.459 -2.422 0.251 1.00 0.00 H new ATOM 0 HB3 TRP A 25 2.939 -2.252 -0.603 1.00 0.00 H new ATOM 0 HD1 TRP A 25 6.603 -3.030 -1.179 1.00 0.00 H new ATOM 0 HE1 TRP A 25 7.025 -3.591 -3.669 1.00 0.00 H new ATOM 0 HE3 TRP A 25 2.068 -1.599 -3.050 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 5.581 -3.428 -6.078 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 1.661 -1.831 -5.467 1.00 0.00 H new ATOM 0 HH2 TRP A 25 3.395 -2.737 -6.959 1.00 0.00 H new ATOM 382 N MET A 26 2.183 0.264 -1.803 1.00 0.00 N ATOM 383 CA MET A 26 1.546 0.907 -2.946 1.00 0.00 C ATOM 384 C MET A 26 1.918 2.385 -3.016 1.00 0.00 C ATOM 385 O MET A 26 1.860 2.999 -4.082 1.00 0.00 O ATOM 386 CB MET A 26 0.026 0.756 -2.860 1.00 0.00 C ATOM 387 CG MET A 26 -0.727 1.593 -3.882 1.00 0.00 C ATOM 388 SD MET A 26 -2.492 1.695 -3.531 1.00 0.00 S ATOM 389 CE MET A 26 -3.174 0.937 -5.004 1.00 0.00 C ATOM 0 H MET A 26 1.536 -0.196 -1.163 1.00 0.00 H new ATOM 0 HA MET A 26 1.903 0.418 -3.852 1.00 0.00 H new ATOM 0 HB2 MET A 26 -0.235 -0.293 -2.999 1.00 0.00 H new ATOM 0 HB3 MET A 26 -0.303 1.037 -1.859 1.00 0.00 H new ATOM 0 HG2 MET A 26 -0.306 2.598 -3.904 1.00 0.00 H new ATOM 0 HG3 MET A 26 -0.582 1.165 -4.874 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.225 0.699 -4.838 1.00 0.00 H new ATOM 0 HE2 MET A 26 -3.087 1.628 -5.842 1.00 0.00 H new ATOM 0 HE3 MET A 26 -2.626 0.022 -5.229 1.00 0.00 H new ATOM 399 N TYR A 27 2.300 2.949 -1.876 1.00 0.00 N ATOM 400 CA TYR A 27 2.679 4.355 -1.809 1.00 0.00 C ATOM 401 C TYR A 27 4.014 4.594 -2.508 1.00 0.00 C ATOM 402 O TYR A 27 4.135 5.479 -3.355 1.00 0.00 O ATOM 403 CB TYR A 27 2.765 4.812 -0.351 1.00 0.00 C ATOM 404 CG TYR A 27 3.003 6.297 -0.196 1.00 0.00 C ATOM 405 CD1 TYR A 27 1.982 7.212 -0.423 1.00 0.00 C ATOM 406 CD2 TYR A 27 4.248 6.786 0.179 1.00 0.00 C ATOM 407 CE1 TYR A 27 2.194 8.569 -0.282 1.00 0.00 C ATOM 408 CE2 TYR A 27 4.470 8.142 0.323 1.00 0.00 C ATOM 409 CZ TYR A 27 3.440 9.030 0.091 1.00 0.00 C ATOM 410 OH TYR A 27 3.655 10.381 0.233 1.00 0.00 O ATOM 0 H TYR A 27 2.355 2.454 -0.986 1.00 0.00 H new ATOM 0 HA TYR A 27 1.913 4.937 -2.321 1.00 0.00 H new ATOM 0 HB2 TYR A 27 1.840 4.545 0.160 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.570 4.270 0.144 1.00 0.00 H new ATOM 0 HD1 TYR A 27 1.005 6.855 -0.715 1.00 0.00 H new ATOM 0 HD2 TYR A 27 5.057 6.094 0.361 1.00 0.00 H new ATOM 0 HE1 TYR A 27 1.389 9.266 -0.463 1.00 0.00 H new ATOM 0 HE2 TYR A 27 5.444 8.505 0.616 1.00 0.00 H new ATOM 0 HH TYR A 27 4.584 10.538 0.501 1.00 0.00 H new ATOM 420 N LYS A 28 5.014 3.796 -2.148 1.00 0.00 N ATOM 421 CA LYS A 28 6.340 3.917 -2.741 1.00 0.00 C ATOM 422 C LYS A 28 6.306 3.573 -4.227 1.00 0.00 C ATOM 423 O LYS A 28 7.027 4.168 -5.029 1.00 0.00 O ATOM 424 CB LYS A 28 7.330 3.001 -2.018 1.00 0.00 C ATOM 425 CG LYS A 28 7.682 3.471 -0.617 1.00 0.00 C ATOM 426 CD LYS A 28 8.802 2.639 -0.015 1.00 0.00 C ATOM 427 CE LYS A 28 8.987 2.942 1.464 1.00 0.00 C ATOM 428 NZ LYS A 28 9.491 1.757 2.214 1.00 0.00 N ATOM 0 H LYS A 28 4.931 3.059 -1.448 1.00 0.00 H new ATOM 0 HA LYS A 28 6.665 4.952 -2.633 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.908 1.998 -1.960 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.243 2.929 -2.608 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.982 4.518 -0.648 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.800 3.411 0.020 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.581 1.580 -0.146 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.732 2.838 -0.548 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.686 3.770 1.580 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.037 3.265 1.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.604 2.004 3.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.812 0.975 2.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.410 1.464 1.824 1.00 0.00 H new ATOM 442 N HIS A 29 5.463 2.611 -4.588 1.00 0.00 N ATOM 443 CA HIS A 29 5.333 2.190 -5.978 1.00 0.00 C ATOM 444 C HIS A 29 4.109 2.830 -6.627 1.00 0.00 C ATOM 445 O HIS A 29 3.785 2.543 -7.780 1.00 0.00 O ATOM 446 CB HIS A 29 5.233 0.667 -6.065 1.00 0.00 C ATOM 447 CG HIS A 29 6.360 -0.047 -5.383 1.00 0.00 C ATOM 448 ND1 HIS A 29 6.460 -0.548 -4.129 1.00 0.00 N flip ATOM 449 CD2 HIS A 29 7.565 -0.313 -5.998 1.00 0.00 C flip ATOM 450 CE1 HIS A 29 7.710 -1.104 -4.012 1.00 0.00 C flip ATOM 451 NE2 HIS A 29 8.357 -0.949 -5.154 1.00 0.00 N flip ATOM 0 H HIS A 29 4.860 2.108 -3.937 1.00 0.00 H new ATOM 0 HA HIS A 29 6.222 2.519 -6.516 1.00 0.00 H new ATOM 0 HB2 HIS A 29 4.290 0.347 -5.622 1.00 0.00 H new ATOM 0 HB3 HIS A 29 5.209 0.372 -7.114 1.00 0.00 H new ATOM 0 HD1 HIS A 29 5.741 -0.518 -3.406 1.00 0.00 H new ATOM 0 HD2 HIS A 29 7.821 -0.043 -7.012 1.00 0.00 H new ATOM 0 HE1 HIS A 29 8.101 -1.589 -3.130 1.00 0.00 H new ATOM 460 N ARG A 30 3.433 3.696 -5.880 1.00 0.00 N ATOM 461 CA ARG A 30 2.244 4.374 -6.382 1.00 0.00 C ATOM 462 C ARG A 30 2.394 4.708 -7.863 1.00 0.00 C ATOM 463 O ARG A 30 1.448 4.575 -8.639 1.00 0.00 O ATOM 464 CB ARG A 30 1.984 5.652 -5.583 1.00 0.00 C ATOM 465 CG ARG A 30 3.059 6.711 -5.762 1.00 0.00 C ATOM 466 CD ARG A 30 2.955 7.796 -4.701 1.00 0.00 C ATOM 467 NE ARG A 30 4.019 8.789 -4.827 1.00 0.00 N ATOM 468 CZ ARG A 30 3.967 9.996 -4.274 1.00 0.00 C ATOM 469 NH1 ARG A 30 2.909 10.357 -3.562 1.00 0.00 N ATOM 470 NH2 ARG A 30 4.975 10.843 -4.433 1.00 0.00 N ATOM 0 H ARG A 30 3.688 3.945 -4.924 1.00 0.00 H new ATOM 0 HA ARG A 30 1.395 3.701 -6.263 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.022 6.068 -5.883 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.907 5.400 -4.525 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.043 6.244 -5.711 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.969 7.159 -6.752 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.987 8.290 -4.782 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.999 7.341 -3.712 1.00 0.00 H new ATOM 0 HE ARG A 30 4.847 8.542 -5.369 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.132 9.708 -3.438 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.871 11.284 -3.138 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.791 10.568 -4.980 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.934 11.769 -4.008 1.00 0.00 H new ATOM 484 N PHE A 31 3.589 5.144 -8.248 1.00 0.00 N ATOM 485 CA PHE A 31 3.863 5.500 -9.635 1.00 0.00 C ATOM 486 C PHE A 31 3.190 4.519 -10.591 1.00 0.00 C ATOM 487 O PHE A 31 2.453 4.919 -11.493 1.00 0.00 O ATOM 488 CB PHE A 31 5.371 5.523 -9.890 1.00 0.00 C ATOM 489 CG PHE A 31 6.080 6.649 -9.191 1.00 0.00 C ATOM 490 CD1 PHE A 31 5.573 7.937 -9.236 1.00 0.00 C ATOM 491 CD2 PHE A 31 7.253 6.418 -8.491 1.00 0.00 C ATOM 492 CE1 PHE A 31 6.222 8.975 -8.594 1.00 0.00 C ATOM 493 CE2 PHE A 31 7.906 7.451 -7.847 1.00 0.00 C ATOM 494 CZ PHE A 31 7.391 8.732 -7.899 1.00 0.00 C ATOM 0 H PHE A 31 4.383 5.259 -7.618 1.00 0.00 H new ATOM 0 HA PHE A 31 3.456 6.495 -9.816 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.801 4.576 -9.565 1.00 0.00 H new ATOM 0 HB3 PHE A 31 5.549 5.602 -10.962 1.00 0.00 H new ATOM 0 HD1 PHE A 31 4.660 8.133 -9.779 1.00 0.00 H new ATOM 0 HD2 PHE A 31 7.661 5.419 -8.448 1.00 0.00 H new ATOM 0 HE1 PHE A 31 5.816 9.975 -8.636 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.819 7.257 -7.303 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.901 9.541 -7.398 1.00 0.00 H new ATOM 504 N LYS A 32 3.448 3.232 -10.387 1.00 0.00 N ATOM 505 CA LYS A 32 2.868 2.192 -11.229 1.00 0.00 C ATOM 506 C LYS A 32 1.645 1.572 -10.562 1.00 0.00 C ATOM 507 O LYS A 32 0.667 1.234 -11.229 1.00 0.00 O ATOM 508 CB LYS A 32 3.907 1.107 -11.523 1.00 0.00 C ATOM 509 CG LYS A 32 4.352 0.341 -10.290 1.00 0.00 C ATOM 510 CD LYS A 32 5.567 -0.525 -10.579 1.00 0.00 C ATOM 511 CE LYS A 32 6.862 0.231 -10.326 1.00 0.00 C ATOM 512 NZ LYS A 32 8.037 -0.682 -10.278 1.00 0.00 N ATOM 0 H LYS A 32 4.055 2.884 -9.645 1.00 0.00 H new ATOM 0 HA LYS A 32 2.555 2.651 -12.167 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.492 0.405 -12.246 1.00 0.00 H new ATOM 0 HB3 LYS A 32 4.779 1.567 -11.989 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.587 1.043 -9.490 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.534 -0.286 -9.935 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.537 -1.417 -9.953 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.537 -0.862 -11.615 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.010 0.972 -11.112 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.787 0.776 -9.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.900 -0.128 -10.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.908 -1.373 -9.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.125 -1.183 -11.185 1.00 0.00 H new ATOM 526 N ALA A 33 1.706 1.427 -9.242 1.00 0.00 N ATOM 527 CA ALA A 33 0.601 0.851 -8.485 1.00 0.00 C ATOM 528 C ALA A 33 0.324 -0.583 -8.923 1.00 0.00 C ATOM 529 O ALA A 33 -0.820 -0.951 -9.191 1.00 0.00 O ATOM 530 CB ALA A 33 -0.649 1.704 -8.644 1.00 0.00 C ATOM 0 H ALA A 33 2.509 1.700 -8.675 1.00 0.00 H new ATOM 0 HA ALA A 33 0.884 0.833 -7.433 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.466 1.262 -8.074 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.452 2.711 -8.275 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -0.926 1.751 -9.697 1.00 0.00 H new ATOM 536 N TYR A 34 1.378 -1.389 -8.994 1.00 0.00 N ATOM 537 CA TYR A 34 1.249 -2.782 -9.403 1.00 0.00 C ATOM 538 C TYR A 34 2.439 -3.605 -8.918 1.00 0.00 C ATOM 539 O TYR A 34 3.542 -3.526 -9.458 1.00 0.00 O ATOM 540 CB TYR A 34 1.133 -2.881 -10.925 1.00 0.00 C ATOM 541 CG TYR A 34 -0.205 -2.424 -11.461 1.00 0.00 C ATOM 542 CD1 TYR A 34 -1.380 -3.065 -11.088 1.00 0.00 C ATOM 543 CD2 TYR A 34 -0.294 -1.353 -12.342 1.00 0.00 C ATOM 544 CE1 TYR A 34 -2.605 -2.652 -11.576 1.00 0.00 C ATOM 545 CE2 TYR A 34 -1.515 -0.933 -12.833 1.00 0.00 C ATOM 546 CZ TYR A 34 -2.667 -1.585 -12.448 1.00 0.00 C ATOM 547 OH TYR A 34 -3.885 -1.170 -12.936 1.00 0.00 O ATOM 0 H TYR A 34 2.331 -1.101 -8.773 1.00 0.00 H new ATOM 0 HA TYR A 34 0.343 -3.184 -8.950 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.921 -2.282 -11.381 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.302 -3.914 -11.228 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -1.335 -3.900 -10.405 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.606 -0.841 -12.648 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -3.509 -3.162 -11.276 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.567 -0.098 -13.515 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.595 -1.736 -12.567 1.00 0.00 H new ATOM 557 N PRO A 35 2.210 -4.415 -7.874 1.00 0.00 N ATOM 558 CA PRO A 35 3.250 -5.270 -7.292 1.00 0.00 C ATOM 559 C PRO A 35 3.645 -6.414 -8.219 1.00 0.00 C ATOM 560 O PRO A 35 2.950 -6.705 -9.193 1.00 0.00 O ATOM 561 CB PRO A 35 2.593 -5.813 -6.021 1.00 0.00 C ATOM 562 CG PRO A 35 1.130 -5.760 -6.299 1.00 0.00 C ATOM 563 CD PRO A 35 0.919 -4.560 -7.180 1.00 0.00 C ATOM 0 HA PRO A 35 4.174 -4.721 -7.109 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.919 -6.831 -5.811 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.853 -5.209 -5.152 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.794 -6.671 -6.794 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.560 -5.670 -5.374 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.100 -4.716 -7.883 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.674 -3.672 -6.597 1.00 0.00 H new ATOM 571 N SER A 36 4.764 -7.061 -7.910 1.00 0.00 N ATOM 572 CA SER A 36 5.253 -8.172 -8.717 1.00 0.00 C ATOM 573 C SER A 36 4.960 -9.507 -8.039 1.00 0.00 C ATOM 574 O SER A 36 4.881 -9.588 -6.814 1.00 0.00 O ATOM 575 CB SER A 36 6.757 -8.030 -8.962 1.00 0.00 C ATOM 576 OG SER A 36 7.045 -6.853 -9.696 1.00 0.00 O ATOM 0 H SER A 36 5.349 -6.835 -7.106 1.00 0.00 H new ATOM 0 HA SER A 36 4.733 -8.149 -9.675 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.283 -8.005 -8.008 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.124 -8.900 -9.506 1.00 0.00 H new ATOM 0 HG SER A 36 8.012 -6.784 -9.838 1.00 0.00 H new ATOM 582 N GLU A 37 4.801 -10.552 -8.846 1.00 0.00 N ATOM 583 CA GLU A 37 4.517 -11.883 -8.324 1.00 0.00 C ATOM 584 C GLU A 37 5.245 -12.117 -7.003 1.00 0.00 C ATOM 585 O GLU A 37 4.760 -12.842 -6.136 1.00 0.00 O ATOM 586 CB GLU A 37 4.925 -12.952 -9.340 1.00 0.00 C ATOM 587 CG GLU A 37 4.271 -14.302 -9.099 1.00 0.00 C ATOM 588 CD GLU A 37 5.122 -15.458 -9.587 1.00 0.00 C ATOM 589 OE1 GLU A 37 5.378 -15.533 -10.807 1.00 0.00 O ATOM 590 OE2 GLU A 37 5.532 -16.288 -8.749 1.00 0.00 O ATOM 0 H GLU A 37 4.864 -10.502 -9.863 1.00 0.00 H new ATOM 0 HA GLU A 37 3.444 -11.953 -8.145 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.668 -12.607 -10.341 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.008 -13.072 -9.313 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.078 -14.423 -8.033 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.305 -14.329 -9.603 1.00 0.00 H new ATOM 597 N GLU A 38 6.412 -11.496 -6.860 1.00 0.00 N ATOM 598 CA GLU A 38 7.208 -11.638 -5.646 1.00 0.00 C ATOM 599 C GLU A 38 6.665 -10.748 -4.532 1.00 0.00 C ATOM 600 O GLU A 38 6.473 -11.198 -3.403 1.00 0.00 O ATOM 601 CB GLU A 38 8.671 -11.289 -5.926 1.00 0.00 C ATOM 602 CG GLU A 38 9.451 -12.415 -6.583 1.00 0.00 C ATOM 603 CD GLU A 38 10.951 -12.248 -6.437 1.00 0.00 C ATOM 604 OE1 GLU A 38 11.432 -12.195 -5.285 1.00 0.00 O ATOM 605 OE2 GLU A 38 11.644 -12.170 -7.473 1.00 0.00 O ATOM 0 H GLU A 38 6.827 -10.891 -7.569 1.00 0.00 H new ATOM 0 HA GLU A 38 7.146 -12.676 -5.320 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.709 -10.409 -6.568 1.00 0.00 H new ATOM 0 HB3 GLU A 38 9.157 -11.020 -4.988 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.150 -13.366 -6.142 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.195 -12.460 -7.642 1.00 0.00 H new ATOM 612 N GLU A 39 6.419 -9.483 -4.860 1.00 0.00 N ATOM 613 CA GLU A 39 5.899 -8.530 -3.887 1.00 0.00 C ATOM 614 C GLU A 39 4.649 -9.077 -3.203 1.00 0.00 C ATOM 615 O GLU A 39 4.577 -9.144 -1.976 1.00 0.00 O ATOM 616 CB GLU A 39 5.581 -7.197 -4.566 1.00 0.00 C ATOM 617 CG GLU A 39 6.798 -6.511 -5.163 1.00 0.00 C ATOM 618 CD GLU A 39 7.948 -6.404 -4.180 1.00 0.00 C ATOM 619 OE1 GLU A 39 7.917 -5.491 -3.329 1.00 0.00 O ATOM 620 OE2 GLU A 39 8.878 -7.233 -4.262 1.00 0.00 O ATOM 0 H GLU A 39 6.571 -9.095 -5.791 1.00 0.00 H new ATOM 0 HA GLU A 39 6.665 -8.369 -3.129 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.847 -7.367 -5.354 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.119 -6.530 -3.838 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.127 -7.064 -6.043 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.519 -5.513 -5.500 1.00 0.00 H new ATOM 627 N LYS A 40 3.665 -9.466 -4.007 1.00 0.00 N ATOM 628 CA LYS A 40 2.417 -10.008 -3.483 1.00 0.00 C ATOM 629 C LYS A 40 2.686 -11.175 -2.538 1.00 0.00 C ATOM 630 O LYS A 40 2.323 -11.129 -1.363 1.00 0.00 O ATOM 631 CB LYS A 40 1.514 -10.465 -4.630 1.00 0.00 C ATOM 632 CG LYS A 40 1.755 -9.715 -5.929 1.00 0.00 C ATOM 633 CD LYS A 40 0.591 -9.880 -6.892 1.00 0.00 C ATOM 634 CE LYS A 40 0.905 -9.281 -8.254 1.00 0.00 C ATOM 635 NZ LYS A 40 -0.089 -9.693 -9.284 1.00 0.00 N ATOM 0 H LYS A 40 3.708 -9.416 -5.025 1.00 0.00 H new ATOM 0 HA LYS A 40 1.913 -9.219 -2.925 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.669 -11.530 -4.801 1.00 0.00 H new ATOM 0 HB3 LYS A 40 0.473 -10.338 -4.334 1.00 0.00 H new ATOM 0 HG2 LYS A 40 1.906 -8.657 -5.717 1.00 0.00 H new ATOM 0 HG3 LYS A 40 2.670 -10.080 -6.396 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.358 -10.939 -7.004 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.296 -9.400 -6.478 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.920 -8.194 -8.178 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.902 -9.592 -8.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.160 -9.264 -10.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.085 -10.729 -9.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.037 -9.374 -8.999 1.00 0.00 H new ATOM 649 N GLN A 41 3.323 -12.218 -3.059 1.00 0.00 N ATOM 650 CA GLN A 41 3.640 -13.396 -2.260 1.00 0.00 C ATOM 651 C GLN A 41 4.376 -13.005 -0.982 1.00 0.00 C ATOM 652 O GLN A 41 4.312 -13.713 0.023 1.00 0.00 O ATOM 653 CB GLN A 41 4.489 -14.376 -3.072 1.00 0.00 C ATOM 654 CG GLN A 41 4.395 -15.812 -2.583 1.00 0.00 C ATOM 655 CD GLN A 41 2.963 -16.283 -2.426 1.00 0.00 C ATOM 656 OE1 GLN A 41 2.319 -16.681 -3.397 1.00 0.00 O ATOM 657 NE2 GLN A 41 2.456 -16.240 -1.200 1.00 0.00 N ATOM 0 H GLN A 41 3.630 -12.272 -4.030 1.00 0.00 H new ATOM 0 HA GLN A 41 2.703 -13.880 -1.985 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.178 -14.335 -4.116 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.531 -14.057 -3.037 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.913 -16.465 -3.285 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.909 -15.900 -1.626 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.026 -15.903 -0.424 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.497 -16.544 -1.034 1.00 0.00 H new ATOM 666 N MET A 42 5.074 -11.876 -1.029 1.00 0.00 N ATOM 667 CA MET A 42 5.821 -11.391 0.126 1.00 0.00 C ATOM 668 C MET A 42 4.887 -10.751 1.148 1.00 0.00 C ATOM 669 O MET A 42 4.925 -11.085 2.333 1.00 0.00 O ATOM 670 CB MET A 42 6.884 -10.382 -0.314 1.00 0.00 C ATOM 671 CG MET A 42 7.255 -9.381 0.767 1.00 0.00 C ATOM 672 SD MET A 42 8.389 -8.109 0.177 1.00 0.00 S ATOM 673 CE MET A 42 7.237 -6.913 -0.495 1.00 0.00 C ATOM 0 H MET A 42 5.138 -11.280 -1.854 1.00 0.00 H new ATOM 0 HA MET A 42 6.312 -12.244 0.594 1.00 0.00 H new ATOM 0 HB2 MET A 42 7.780 -10.921 -0.621 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.521 -9.842 -1.189 1.00 0.00 H new ATOM 0 HG2 MET A 42 6.349 -8.907 1.145 1.00 0.00 H new ATOM 0 HG3 MET A 42 7.711 -9.909 1.604 1.00 0.00 H new ATOM 0 HE1 MET A 42 7.789 -6.116 -0.994 1.00 0.00 H new ATOM 0 HE2 MET A 42 6.580 -7.404 -1.213 1.00 0.00 H new ATOM 0 HE3 MET A 42 6.640 -6.490 0.312 1.00 0.00 H new ATOM 683 N LEU A 43 4.051 -9.830 0.683 1.00 0.00 N ATOM 684 CA LEU A 43 3.107 -9.142 1.557 1.00 0.00 C ATOM 685 C LEU A 43 2.099 -10.123 2.149 1.00 0.00 C ATOM 686 O LEU A 43 1.812 -10.086 3.346 1.00 0.00 O ATOM 687 CB LEU A 43 2.373 -8.044 0.785 1.00 0.00 C ATOM 688 CG LEU A 43 3.254 -7.077 -0.007 1.00 0.00 C ATOM 689 CD1 LEU A 43 2.516 -6.565 -1.234 1.00 0.00 C ATOM 690 CD2 LEU A 43 3.698 -5.918 0.874 1.00 0.00 C ATOM 0 H LEU A 43 4.007 -9.542 -0.295 1.00 0.00 H new ATOM 0 HA LEU A 43 3.670 -8.689 2.374 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.676 -8.518 0.094 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.778 -7.466 1.492 1.00 0.00 H new ATOM 0 HG LEU A 43 4.142 -7.614 -0.341 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.159 -5.878 -1.785 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.249 -7.405 -1.875 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.611 -6.044 -0.923 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.324 -5.240 0.295 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.822 -5.381 1.238 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.266 -6.302 1.721 1.00 0.00 H new ATOM 702 N SER A 44 1.568 -11.000 1.304 1.00 0.00 N ATOM 703 CA SER A 44 0.592 -11.990 1.743 1.00 0.00 C ATOM 704 C SER A 44 1.057 -12.683 3.021 1.00 0.00 C ATOM 705 O SER A 44 0.245 -13.166 3.808 1.00 0.00 O ATOM 706 CB SER A 44 0.356 -13.028 0.644 1.00 0.00 C ATOM 707 OG SER A 44 1.253 -14.118 0.771 1.00 0.00 O ATOM 0 H SER A 44 1.797 -11.045 0.311 1.00 0.00 H new ATOM 0 HA SER A 44 -0.344 -11.472 1.951 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.671 -13.390 0.696 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.481 -12.562 -0.333 1.00 0.00 H new ATOM 0 HG SER A 44 2.155 -13.830 0.518 1.00 0.00 H new ATOM 713 N GLU A 45 2.371 -12.725 3.218 1.00 0.00 N ATOM 714 CA GLU A 45 2.945 -13.359 4.399 1.00 0.00 C ATOM 715 C GLU A 45 2.681 -12.523 5.648 1.00 0.00 C ATOM 716 O GLU A 45 2.336 -13.054 6.704 1.00 0.00 O ATOM 717 CB GLU A 45 4.451 -13.561 4.216 1.00 0.00 C ATOM 718 CG GLU A 45 4.802 -14.623 3.187 1.00 0.00 C ATOM 719 CD GLU A 45 4.804 -16.022 3.771 1.00 0.00 C ATOM 720 OE1 GLU A 45 5.094 -16.161 4.978 1.00 0.00 O ATOM 721 OE2 GLU A 45 4.515 -16.978 3.021 1.00 0.00 O ATOM 0 H GLU A 45 3.057 -12.328 2.576 1.00 0.00 H new ATOM 0 HA GLU A 45 2.468 -14.331 4.526 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.902 -12.615 3.918 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.891 -13.836 5.174 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.088 -14.577 2.365 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.785 -14.407 2.768 1.00 0.00 H new ATOM 728 N LYS A 46 2.846 -11.211 5.520 1.00 0.00 N ATOM 729 CA LYS A 46 2.626 -10.299 6.636 1.00 0.00 C ATOM 730 C LYS A 46 1.135 -10.077 6.871 1.00 0.00 C ATOM 731 O LYS A 46 0.674 -10.040 8.012 1.00 0.00 O ATOM 732 CB LYS A 46 3.317 -8.959 6.371 1.00 0.00 C ATOM 733 CG LYS A 46 4.815 -9.080 6.156 1.00 0.00 C ATOM 734 CD LYS A 46 5.329 -8.016 5.201 1.00 0.00 C ATOM 735 CE LYS A 46 6.810 -8.201 4.905 1.00 0.00 C ATOM 736 NZ LYS A 46 7.082 -9.498 4.227 1.00 0.00 N ATOM 0 H LYS A 46 3.132 -10.755 4.653 1.00 0.00 H new ATOM 0 HA LYS A 46 3.054 -10.750 7.531 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.868 -8.496 5.492 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.132 -8.291 7.213 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.329 -8.990 7.113 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.048 -10.069 5.760 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.763 -8.057 4.270 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.164 -7.028 5.632 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.160 -7.382 4.276 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.375 -8.152 5.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.979 -9.435 3.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.148 -10.254 4.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.309 -9.712 3.565 1.00 0.00 H new ATOM 750 N THR A 47 0.385 -9.930 5.783 1.00 0.00 N ATOM 751 CA THR A 47 -1.054 -9.712 5.871 1.00 0.00 C ATOM 752 C THR A 47 -1.800 -11.030 6.043 1.00 0.00 C ATOM 753 O THR A 47 -2.957 -11.049 6.460 1.00 0.00 O ATOM 754 CB THR A 47 -1.590 -8.992 4.619 1.00 0.00 C ATOM 755 OG1 THR A 47 -1.307 -9.768 3.449 1.00 0.00 O ATOM 756 CG2 THR A 47 -0.967 -7.611 4.481 1.00 0.00 C ATOM 0 H THR A 47 0.750 -9.958 4.831 1.00 0.00 H new ATOM 0 HA THR A 47 -1.226 -9.083 6.745 1.00 0.00 H new ATOM 0 HB THR A 47 -2.669 -8.877 4.726 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.037 -9.173 2.719 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.361 -7.122 3.590 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.209 -7.013 5.360 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.115 -7.707 4.394 1.00 0.00 H new ATOM 764 N ASN A 48 -1.129 -12.131 5.721 1.00 0.00 N ATOM 765 CA ASN A 48 -1.730 -13.455 5.841 1.00 0.00 C ATOM 766 C ASN A 48 -2.907 -13.607 4.882 1.00 0.00 C ATOM 767 O ASN A 48 -3.924 -14.214 5.221 1.00 0.00 O ATOM 768 CB ASN A 48 -2.194 -13.699 7.278 1.00 0.00 C ATOM 769 CG ASN A 48 -1.248 -13.099 8.301 1.00 0.00 C ATOM 770 OD1 ASN A 48 -1.327 -11.911 8.614 1.00 0.00 O ATOM 771 ND2 ASN A 48 -0.346 -13.921 8.826 1.00 0.00 N ATOM 0 H ASN A 48 -0.169 -12.133 5.375 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.973 -14.195 5.580 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -3.188 -13.273 7.413 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -2.280 -14.772 7.452 1.00 0.00 H new ATOM 0 HD21 ASN A 48 0.318 -13.574 9.519 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.317 -14.899 8.537 1.00 0.00 H new ATOM 778 N LEU A 49 -2.763 -13.052 3.684 1.00 0.00 N ATOM 779 CA LEU A 49 -3.813 -13.126 2.675 1.00 0.00 C ATOM 780 C LEU A 49 -3.385 -14.008 1.506 1.00 0.00 C ATOM 781 O LEU A 49 -2.306 -14.601 1.526 1.00 0.00 O ATOM 782 CB LEU A 49 -4.163 -11.725 2.170 1.00 0.00 C ATOM 783 CG LEU A 49 -4.374 -10.658 3.245 1.00 0.00 C ATOM 784 CD1 LEU A 49 -4.251 -9.265 2.645 1.00 0.00 C ATOM 785 CD2 LEU A 49 -5.729 -10.835 3.913 1.00 0.00 C ATOM 0 H LEU A 49 -1.929 -12.546 3.388 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.695 -13.570 3.137 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.366 -11.390 1.506 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.071 -11.793 1.570 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.600 -10.775 4.003 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.404 -8.518 3.424 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.258 -9.141 2.214 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.003 -9.136 1.867 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.862 -10.067 4.675 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.518 -10.745 3.166 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.780 -11.820 4.377 1.00 0.00 H new ATOM 797 N SER A 50 -4.235 -14.087 0.488 1.00 0.00 N ATOM 798 CA SER A 50 -3.946 -14.897 -0.689 1.00 0.00 C ATOM 799 C SER A 50 -3.631 -14.014 -1.893 1.00 0.00 C ATOM 800 O SER A 50 -4.228 -12.951 -2.072 1.00 0.00 O ATOM 801 CB SER A 50 -5.130 -15.811 -1.010 1.00 0.00 C ATOM 802 OG SER A 50 -6.339 -15.076 -1.073 1.00 0.00 O ATOM 0 H SER A 50 -5.130 -13.599 0.455 1.00 0.00 H new ATOM 0 HA SER A 50 -3.072 -15.510 -0.470 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.957 -16.315 -1.961 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.212 -16.587 -0.249 1.00 0.00 H new ATOM 0 HG SER A 50 -7.080 -15.683 -1.281 1.00 0.00 H new ATOM 808 N LEU A 51 -2.688 -14.460 -2.715 1.00 0.00 N ATOM 809 CA LEU A 51 -2.292 -13.711 -3.903 1.00 0.00 C ATOM 810 C LEU A 51 -3.510 -13.122 -4.607 1.00 0.00 C ATOM 811 O LEU A 51 -3.469 -11.996 -5.105 1.00 0.00 O ATOM 812 CB LEU A 51 -1.520 -14.615 -4.866 1.00 0.00 C ATOM 813 CG LEU A 51 -0.212 -15.201 -4.334 1.00 0.00 C ATOM 814 CD1 LEU A 51 0.437 -16.094 -5.380 1.00 0.00 C ATOM 815 CD2 LEU A 51 0.739 -14.089 -3.915 1.00 0.00 C ATOM 0 H LEU A 51 -2.183 -15.336 -2.581 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.647 -12.891 -3.587 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.171 -15.439 -5.160 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.299 -14.046 -5.769 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.438 -15.808 -3.457 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.367 -16.502 -4.984 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.240 -16.911 -5.632 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.650 -15.510 -6.275 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.665 -14.524 -3.539 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.959 -13.455 -4.774 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.275 -13.490 -3.131 1.00 0.00 H new ATOM 827 N LEU A 52 -4.595 -13.888 -4.642 1.00 0.00 N ATOM 828 CA LEU A 52 -5.827 -13.441 -5.283 1.00 0.00 C ATOM 829 C LEU A 52 -6.363 -12.180 -4.612 1.00 0.00 C ATOM 830 O LEU A 52 -6.655 -11.188 -5.279 1.00 0.00 O ATOM 831 CB LEU A 52 -6.882 -14.548 -5.231 1.00 0.00 C ATOM 832 CG LEU A 52 -8.313 -14.127 -5.568 1.00 0.00 C ATOM 833 CD1 LEU A 52 -8.400 -13.637 -7.005 1.00 0.00 C ATOM 834 CD2 LEU A 52 -9.277 -15.281 -5.337 1.00 0.00 C ATOM 0 H LEU A 52 -4.647 -14.821 -4.234 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.603 -13.209 -6.324 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.585 -15.338 -5.921 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.878 -14.980 -4.230 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.595 -13.307 -4.908 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.425 -13.342 -7.227 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.739 -12.781 -7.138 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.098 -14.437 -7.681 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -10.290 -14.963 -5.582 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.997 -16.122 -5.972 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -9.235 -15.586 -4.291 1.00 0.00 H new ATOM 846 N GLN A 53 -6.486 -12.226 -3.290 1.00 0.00 N ATOM 847 CA GLN A 53 -6.986 -11.087 -2.529 1.00 0.00 C ATOM 848 C GLN A 53 -6.021 -9.909 -2.618 1.00 0.00 C ATOM 849 O GLN A 53 -6.442 -8.754 -2.700 1.00 0.00 O ATOM 850 CB GLN A 53 -7.199 -11.477 -1.066 1.00 0.00 C ATOM 851 CG GLN A 53 -8.390 -12.397 -0.849 1.00 0.00 C ATOM 852 CD GLN A 53 -8.751 -12.549 0.615 1.00 0.00 C ATOM 853 OE1 GLN A 53 -9.753 -12.005 1.079 1.00 0.00 O ATOM 854 NE2 GLN A 53 -7.934 -13.292 1.352 1.00 0.00 N ATOM 0 H GLN A 53 -6.246 -13.040 -2.723 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.941 -10.786 -2.959 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.299 -11.967 -0.695 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.337 -10.572 -0.474 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.250 -12.006 -1.393 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.167 -13.378 -1.268 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.114 -13.725 0.926 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -8.126 -13.430 2.344 1.00 0.00 H new ATOM 863 N ILE A 54 -4.726 -10.208 -2.601 1.00 0.00 N ATOM 864 CA ILE A 54 -3.703 -9.173 -2.680 1.00 0.00 C ATOM 865 C ILE A 54 -3.926 -8.271 -3.889 1.00 0.00 C ATOM 866 O ILE A 54 -4.257 -7.094 -3.745 1.00 0.00 O ATOM 867 CB ILE A 54 -2.291 -9.783 -2.763 1.00 0.00 C ATOM 868 CG1 ILE A 54 -1.990 -10.599 -1.504 1.00 0.00 C ATOM 869 CG2 ILE A 54 -1.251 -8.689 -2.952 1.00 0.00 C ATOM 870 CD1 ILE A 54 -2.146 -9.812 -0.222 1.00 0.00 C ATOM 0 H ILE A 54 -4.361 -11.158 -2.533 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.782 -8.581 -1.768 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.249 -10.449 -3.625 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.654 -11.463 -1.473 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.971 -10.982 -1.564 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.259 -9.136 -3.009 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.458 -8.146 -3.874 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.291 -8.000 -2.109 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.917 -10.454 0.629 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.462 -8.963 -0.231 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.171 -9.451 -0.139 1.00 0.00 H new ATOM 882 N SER A 55 -3.743 -8.831 -5.081 1.00 0.00 N ATOM 883 CA SER A 55 -3.922 -8.076 -6.316 1.00 0.00 C ATOM 884 C SER A 55 -5.346 -7.538 -6.421 1.00 0.00 C ATOM 885 O SER A 55 -5.562 -6.403 -6.846 1.00 0.00 O ATOM 886 CB SER A 55 -3.607 -8.957 -7.526 1.00 0.00 C ATOM 887 OG SER A 55 -2.233 -8.884 -7.866 1.00 0.00 O ATOM 0 H SER A 55 -3.471 -9.805 -5.218 1.00 0.00 H new ATOM 0 HA SER A 55 -3.233 -7.231 -6.301 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.876 -9.990 -7.307 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.212 -8.643 -8.376 1.00 0.00 H new ATOM 0 HG SER A 55 -2.034 -7.999 -8.237 1.00 0.00 H new ATOM 893 N ASN A 56 -6.314 -8.361 -6.031 1.00 0.00 N ATOM 894 CA ASN A 56 -7.717 -7.968 -6.082 1.00 0.00 C ATOM 895 C ASN A 56 -7.940 -6.649 -5.349 1.00 0.00 C ATOM 896 O ASN A 56 -8.737 -5.815 -5.779 1.00 0.00 O ATOM 897 CB ASN A 56 -8.596 -9.060 -5.469 1.00 0.00 C ATOM 898 CG ASN A 56 -8.976 -10.129 -6.476 1.00 0.00 C ATOM 899 OD1 ASN A 56 -9.663 -11.165 -6.007 1.00 0.00 O flip ATOM 900 ND2 ASN A 56 -8.656 -10.025 -7.660 1.00 0.00 N flip ATOM 0 H ASN A 56 -6.152 -9.304 -5.676 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.993 -7.833 -7.128 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -8.068 -9.522 -4.635 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -9.501 -8.609 -5.063 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -8.128 -9.211 -7.976 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -8.919 -10.752 -8.325 1.00 0.00 H new ATOM 907 N TRP A 57 -7.231 -6.468 -4.241 1.00 0.00 N ATOM 908 CA TRP A 57 -7.351 -5.249 -3.448 1.00 0.00 C ATOM 909 C TRP A 57 -6.702 -4.069 -4.162 1.00 0.00 C ATOM 910 O TRP A 57 -7.165 -2.933 -4.051 1.00 0.00 O ATOM 911 CB TRP A 57 -6.709 -5.446 -2.073 1.00 0.00 C ATOM 912 CG TRP A 57 -6.448 -4.159 -1.351 1.00 0.00 C ATOM 913 CD1 TRP A 57 -7.295 -3.512 -0.496 1.00 0.00 C ATOM 914 CD2 TRP A 57 -5.260 -3.363 -1.421 1.00 0.00 C ATOM 915 NE1 TRP A 57 -6.705 -2.362 -0.031 1.00 0.00 N ATOM 916 CE2 TRP A 57 -5.456 -2.248 -0.583 1.00 0.00 C ATOM 917 CE3 TRP A 57 -4.050 -3.484 -2.108 1.00 0.00 C ATOM 918 CZ2 TRP A 57 -4.487 -1.262 -0.416 1.00 0.00 C ATOM 919 CZ3 TRP A 57 -3.089 -2.505 -1.943 1.00 0.00 C ATOM 920 CH2 TRP A 57 -3.311 -1.406 -1.102 1.00 0.00 C ATOM 0 H TRP A 57 -6.567 -7.149 -3.871 1.00 0.00 H new ATOM 0 HA TRP A 57 -8.411 -5.032 -3.318 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -7.360 -6.072 -1.462 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -5.769 -5.985 -2.192 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -8.283 -3.854 -0.226 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -7.128 -1.700 0.620 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -3.869 -4.328 -2.757 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -4.657 -0.414 0.231 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -2.151 -2.588 -2.471 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -2.539 -0.658 -0.993 1.00 0.00 H new ATOM 931 N PHE A 58 -5.628 -4.344 -4.894 1.00 0.00 N ATOM 932 CA PHE A 58 -4.915 -3.304 -5.626 1.00 0.00 C ATOM 933 C PHE A 58 -5.805 -2.687 -6.701 1.00 0.00 C ATOM 934 O PHE A 58 -5.627 -1.529 -7.080 1.00 0.00 O ATOM 935 CB PHE A 58 -3.648 -3.877 -6.264 1.00 0.00 C ATOM 936 CG PHE A 58 -2.450 -3.839 -5.359 1.00 0.00 C ATOM 937 CD1 PHE A 58 -1.681 -2.691 -5.253 1.00 0.00 C ATOM 938 CD2 PHE A 58 -2.093 -4.950 -4.613 1.00 0.00 C ATOM 939 CE1 PHE A 58 -0.578 -2.653 -4.421 1.00 0.00 C ATOM 940 CE2 PHE A 58 -0.991 -4.919 -3.779 1.00 0.00 C ATOM 941 CZ PHE A 58 -0.234 -3.768 -3.682 1.00 0.00 C ATOM 0 H PHE A 58 -5.232 -5.278 -4.996 1.00 0.00 H new ATOM 0 HA PHE A 58 -4.636 -2.523 -4.918 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.836 -4.909 -6.562 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.424 -3.319 -7.173 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.947 -1.816 -5.827 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.683 -5.852 -4.684 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.014 -1.753 -4.349 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.723 -5.793 -3.204 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.626 -3.740 -3.029 1.00 0.00 H new ATOM 951 N ILE A 59 -6.762 -3.469 -7.188 1.00 0.00 N ATOM 952 CA ILE A 59 -7.681 -3.000 -8.218 1.00 0.00 C ATOM 953 C ILE A 59 -8.569 -1.877 -7.693 1.00 0.00 C ATOM 954 O ILE A 59 -8.502 -0.745 -8.169 1.00 0.00 O ATOM 955 CB ILE A 59 -8.571 -4.142 -8.741 1.00 0.00 C ATOM 956 CG1 ILE A 59 -7.713 -5.232 -9.387 1.00 0.00 C ATOM 957 CG2 ILE A 59 -9.593 -3.606 -9.733 1.00 0.00 C ATOM 958 CD1 ILE A 59 -8.490 -6.480 -9.744 1.00 0.00 C ATOM 0 H ILE A 59 -6.921 -4.430 -6.886 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.070 -2.623 -9.038 1.00 0.00 H new ATOM 0 HB ILE A 59 -9.107 -4.580 -7.899 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.250 -4.832 -10.289 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.905 -5.499 -8.705 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -10.215 -4.426 -10.094 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -10.221 -2.863 -9.242 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -9.076 -3.145 -10.575 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.819 -7.209 -10.197 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -8.931 -6.904 -8.842 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -9.281 -6.227 -10.450 1.00 0.00 H new ATOM 970 N ASN A 60 -9.401 -2.200 -6.707 1.00 0.00 N ATOM 971 CA ASN A 60 -10.302 -1.218 -6.116 1.00 0.00 C ATOM 972 C ASN A 60 -9.519 -0.123 -5.398 1.00 0.00 C ATOM 973 O ASN A 60 -9.940 1.033 -5.361 1.00 0.00 O ATOM 974 CB ASN A 60 -11.261 -1.900 -5.138 1.00 0.00 C ATOM 975 CG ASN A 60 -11.578 -3.327 -5.539 1.00 0.00 C ATOM 976 OD1 ASN A 60 -11.733 -3.632 -6.722 1.00 0.00 O ATOM 977 ND2 ASN A 60 -11.677 -4.211 -4.553 1.00 0.00 N ATOM 0 H ASN A 60 -9.469 -3.133 -6.301 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.878 -0.760 -6.920 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.822 -1.895 -4.140 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -12.187 -1.327 -5.082 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.889 -5.187 -4.762 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -11.541 -3.914 -3.587 1.00 0.00 H new ATOM 984 N ALA A 61 -8.377 -0.496 -4.829 1.00 0.00 N ATOM 985 CA ALA A 61 -7.534 0.454 -4.115 1.00 0.00 C ATOM 986 C ALA A 61 -6.928 1.476 -5.070 1.00 0.00 C ATOM 987 O ALA A 61 -7.112 2.682 -4.902 1.00 0.00 O ATOM 988 CB ALA A 61 -6.436 -0.280 -3.358 1.00 0.00 C ATOM 0 H ALA A 61 -8.015 -1.449 -4.849 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.158 0.990 -3.400 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.814 0.442 -2.829 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.885 -0.966 -2.640 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -5.822 -0.842 -4.062 1.00 0.00 H new ATOM 994 N ARG A 62 -6.203 0.987 -6.071 1.00 0.00 N ATOM 995 CA ARG A 62 -5.568 1.859 -7.052 1.00 0.00 C ATOM 996 C ARG A 62 -6.603 2.737 -7.749 1.00 0.00 C ATOM 997 O ARG A 62 -6.253 3.665 -8.479 1.00 0.00 O ATOM 998 CB ARG A 62 -4.807 1.029 -8.087 1.00 0.00 C ATOM 999 CG ARG A 62 -4.063 1.868 -9.113 1.00 0.00 C ATOM 1000 CD ARG A 62 -3.445 1.001 -10.199 1.00 0.00 C ATOM 1001 NE ARG A 62 -4.427 0.597 -11.202 1.00 0.00 N ATOM 1002 CZ ARG A 62 -4.834 1.385 -12.191 1.00 0.00 C ATOM 1003 NH1 ARG A 62 -4.347 2.612 -12.308 1.00 0.00 N ATOM 1004 NH2 ARG A 62 -5.731 0.945 -13.065 1.00 0.00 N ATOM 0 H ARG A 62 -6.041 -0.008 -6.224 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.864 2.504 -6.526 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.095 0.385 -7.571 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.510 0.376 -8.605 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.749 2.585 -9.565 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.282 2.443 -8.617 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.636 1.548 -10.683 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.003 0.113 -9.746 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.822 -0.341 -11.140 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -3.658 2.953 -11.638 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.661 3.215 -13.068 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -6.108 0.001 -12.977 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -6.043 1.551 -13.824 1.00 0.00 H new ATOM 1018 N ARG A 63 -7.877 2.438 -7.519 1.00 0.00 N ATOM 1019 CA ARG A 63 -8.962 3.199 -8.126 1.00 0.00 C ATOM 1020 C ARG A 63 -9.311 4.419 -7.279 1.00 0.00 C ATOM 1021 O ARG A 63 -9.669 5.472 -7.807 1.00 0.00 O ATOM 1022 CB ARG A 63 -10.199 2.315 -8.299 1.00 0.00 C ATOM 1023 CG ARG A 63 -10.190 1.500 -9.581 1.00 0.00 C ATOM 1024 CD ARG A 63 -11.330 0.494 -9.610 1.00 0.00 C ATOM 1025 NE ARG A 63 -12.632 1.138 -9.459 1.00 0.00 N ATOM 1026 CZ ARG A 63 -13.294 1.703 -10.463 1.00 0.00 C ATOM 1027 NH1 ARG A 63 -12.778 1.703 -11.685 1.00 0.00 N ATOM 1028 NH2 ARG A 63 -14.474 2.269 -10.247 1.00 0.00 N ATOM 0 H ARG A 63 -8.183 1.674 -6.917 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.628 3.541 -9.105 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -10.273 1.638 -7.448 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -11.089 2.944 -8.284 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -10.271 2.168 -10.439 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.239 0.976 -9.674 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.304 -0.056 -10.551 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -11.191 -0.234 -8.811 1.00 0.00 H new ATOM 0 HE ARG A 63 -13.057 1.155 -8.532 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -11.871 1.269 -11.856 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -13.288 2.137 -12.454 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -14.875 2.271 -9.309 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -14.981 2.702 -11.019 1.00 0.00 H new ATOM 1042 N ARG A 64 -9.203 4.270 -5.963 1.00 0.00 N ATOM 1043 CA ARG A 64 -9.508 5.359 -5.043 1.00 0.00 C ATOM 1044 C ARG A 64 -8.330 5.632 -4.113 1.00 0.00 C ATOM 1045 O ARG A 64 -7.964 6.785 -3.880 1.00 0.00 O ATOM 1046 CB ARG A 64 -10.755 5.026 -4.220 1.00 0.00 C ATOM 1047 CG ARG A 64 -11.576 6.247 -3.838 1.00 0.00 C ATOM 1048 CD ARG A 64 -10.950 6.998 -2.674 1.00 0.00 C ATOM 1049 NE ARG A 64 -11.953 7.674 -1.856 1.00 0.00 N ATOM 1050 CZ ARG A 64 -12.637 8.738 -2.262 1.00 0.00 C ATOM 1051 NH1 ARG A 64 -12.427 9.244 -3.469 1.00 0.00 N ATOM 1052 NH2 ARG A 64 -13.533 9.298 -1.459 1.00 0.00 N ATOM 0 H ARG A 64 -8.907 3.406 -5.510 1.00 0.00 H new ATOM 0 HA ARG A 64 -9.698 6.256 -5.632 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -11.383 4.340 -4.789 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -10.452 4.504 -3.312 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -11.662 6.912 -4.697 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -12.587 5.938 -3.572 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.386 6.301 -2.054 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.239 7.731 -3.056 1.00 0.00 H new ATOM 0 HE ARG A 64 -12.139 7.309 -0.922 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -11.739 8.816 -4.089 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.954 10.061 -3.778 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -13.697 8.911 -0.529 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -14.058 10.115 -1.771 1.00 0.00 H new ATOM 1066 N ILE A 65 -7.741 4.565 -3.584 1.00 0.00 N ATOM 1067 CA ILE A 65 -6.604 4.689 -2.680 1.00 0.00 C ATOM 1068 C ILE A 65 -5.444 5.415 -3.353 1.00 0.00 C ATOM 1069 O ILE A 65 -4.982 6.450 -2.872 1.00 0.00 O ATOM 1070 CB ILE A 65 -6.119 3.311 -2.192 1.00 0.00 C ATOM 1071 CG1 ILE A 65 -7.218 2.617 -1.385 1.00 0.00 C ATOM 1072 CG2 ILE A 65 -4.855 3.459 -1.359 1.00 0.00 C ATOM 1073 CD1 ILE A 65 -6.784 1.298 -0.784 1.00 0.00 C ATOM 0 H ILE A 65 -8.032 3.605 -3.766 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.945 5.269 -1.822 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.887 2.694 -3.060 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.545 3.281 -0.585 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -8.080 2.447 -2.031 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.525 2.477 -1.021 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.072 3.917 -1.964 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.061 4.090 -0.494 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.613 0.862 -0.226 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.484 0.616 -1.580 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.942 1.464 -0.112 1.00 0.00 H new ATOM 1085 N LEU A 66 -4.978 4.866 -4.470 1.00 0.00 N ATOM 1086 CA LEU A 66 -3.872 5.462 -5.211 1.00 0.00 C ATOM 1087 C LEU A 66 -4.098 6.956 -5.420 1.00 0.00 C ATOM 1088 O LEU A 66 -3.275 7.791 -5.046 1.00 0.00 O ATOM 1089 CB LEU A 66 -3.705 4.766 -6.563 1.00 0.00 C ATOM 1090 CG LEU A 66 -2.957 5.556 -7.637 1.00 0.00 C ATOM 1091 CD1 LEU A 66 -1.554 5.903 -7.164 1.00 0.00 C ATOM 1092 CD2 LEU A 66 -2.904 4.769 -8.939 1.00 0.00 C ATOM 0 H LEU A 66 -5.349 4.010 -4.882 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.962 5.330 -4.626 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.180 3.824 -6.402 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -4.695 4.518 -6.946 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.497 6.485 -7.820 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.037 6.465 -7.941 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.614 6.507 -6.259 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.004 4.986 -6.952 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.368 5.347 -9.692 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.388 3.824 -8.772 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.918 4.572 -9.287 1.00 0.00 H new ATOM 1104 N PRO A 67 -5.242 7.302 -6.030 1.00 0.00 N ATOM 1105 CA PRO A 67 -5.605 8.696 -6.299 1.00 0.00 C ATOM 1106 C PRO A 67 -5.937 9.465 -5.025 1.00 0.00 C ATOM 1107 O PRO A 67 -6.229 10.661 -5.069 1.00 0.00 O ATOM 1108 CB PRO A 67 -6.845 8.574 -7.189 1.00 0.00 C ATOM 1109 CG PRO A 67 -7.431 7.250 -6.842 1.00 0.00 C ATOM 1110 CD PRO A 67 -6.269 6.358 -6.502 1.00 0.00 C ATOM 0 HA PRO A 67 -4.786 9.249 -6.759 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.551 9.382 -6.997 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.581 8.626 -8.245 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -8.117 7.336 -5.999 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.002 6.845 -7.677 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -6.531 5.632 -5.733 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -5.928 5.794 -7.370 1.00 0.00 H new ATOM 1118 N ASP A 68 -5.889 8.773 -3.893 1.00 0.00 N ATOM 1119 CA ASP A 68 -6.183 9.392 -2.605 1.00 0.00 C ATOM 1120 C ASP A 68 -4.898 9.793 -1.889 1.00 0.00 C ATOM 1121 O ASP A 68 -4.834 10.842 -1.248 1.00 0.00 O ATOM 1122 CB ASP A 68 -6.994 8.436 -1.729 1.00 0.00 C ATOM 1123 CG ASP A 68 -7.289 9.016 -0.359 1.00 0.00 C ATOM 1124 OD1 ASP A 68 -7.587 10.226 -0.279 1.00 0.00 O ATOM 1125 OD2 ASP A 68 -7.223 8.259 0.631 1.00 0.00 O ATOM 0 H ASP A 68 -5.649 7.783 -3.840 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.771 10.291 -2.788 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.933 8.197 -2.229 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.447 7.500 -1.614 1.00 0.00 H new ATOM 1130 N MET A 69 -3.877 8.950 -2.000 1.00 0.00 N ATOM 1131 CA MET A 69 -2.593 9.217 -1.363 1.00 0.00 C ATOM 1132 C MET A 69 -1.854 10.343 -2.079 1.00 0.00 C ATOM 1133 O MET A 69 -1.187 11.163 -1.446 1.00 0.00 O ATOM 1134 CB MET A 69 -1.732 7.952 -1.352 1.00 0.00 C ATOM 1135 CG MET A 69 -1.566 7.318 -2.723 1.00 0.00 C ATOM 1136 SD MET A 69 -0.560 5.822 -2.680 1.00 0.00 S ATOM 1137 CE MET A 69 -1.676 4.688 -1.857 1.00 0.00 C ATOM 0 H MET A 69 -3.914 8.076 -2.525 1.00 0.00 H new ATOM 0 HA MET A 69 -2.783 9.527 -0.336 1.00 0.00 H new ATOM 0 HB2 MET A 69 -0.748 8.196 -0.952 1.00 0.00 H new ATOM 0 HB3 MET A 69 -2.180 7.224 -0.676 1.00 0.00 H new ATOM 0 HG2 MET A 69 -2.549 7.079 -3.130 1.00 0.00 H new ATOM 0 HG3 MET A 69 -1.108 8.040 -3.400 1.00 0.00 H new ATOM 0 HE1 MET A 69 -1.145 3.768 -1.612 1.00 0.00 H new ATOM 0 HE2 MET A 69 -2.050 5.146 -0.941 1.00 0.00 H new ATOM 0 HE3 MET A 69 -2.513 4.459 -2.516 1.00 0.00 H new ATOM 1147 N LEU A 70 -1.975 10.377 -3.401 1.00 0.00 N ATOM 1148 CA LEU A 70 -1.318 11.403 -4.204 1.00 0.00 C ATOM 1149 C LEU A 70 -1.897 12.782 -3.904 1.00 0.00 C ATOM 1150 O LEU A 70 -1.184 13.785 -3.941 1.00 0.00 O ATOM 1151 CB LEU A 70 -1.468 11.087 -5.693 1.00 0.00 C ATOM 1152 CG LEU A 70 -0.340 10.269 -6.323 1.00 0.00 C ATOM 1153 CD1 LEU A 70 -0.589 8.781 -6.132 1.00 0.00 C ATOM 1154 CD2 LEU A 70 -0.200 10.603 -7.801 1.00 0.00 C ATOM 0 H LEU A 70 -2.522 9.706 -3.940 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.259 11.410 -3.946 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.405 10.548 -5.837 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.555 12.028 -6.237 1.00 0.00 H new ATOM 0 HG LEU A 70 0.593 10.527 -5.823 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.224 8.215 -6.587 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.638 8.554 -5.067 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.532 8.506 -6.605 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.607 10.012 -8.233 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.133 10.374 -8.316 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.026 11.663 -7.915 1.00 0.00 H new ATOM 1166 N GLN A 71 -3.191 12.823 -3.606 1.00 0.00 N ATOM 1167 CA GLN A 71 -3.864 14.079 -3.298 1.00 0.00 C ATOM 1168 C GLN A 71 -3.669 15.091 -4.423 1.00 0.00 C ATOM 1169 O GLN A 71 -3.411 16.268 -4.173 1.00 0.00 O ATOM 1170 CB GLN A 71 -3.338 14.655 -1.982 1.00 0.00 C ATOM 1171 CG GLN A 71 -3.764 13.861 -0.758 1.00 0.00 C ATOM 1172 CD GLN A 71 -3.003 14.260 0.491 1.00 0.00 C ATOM 1173 OE1 GLN A 71 -1.819 13.953 0.635 1.00 0.00 O ATOM 1174 NE2 GLN A 71 -3.680 14.949 1.402 1.00 0.00 N ATOM 0 H GLN A 71 -3.794 12.001 -3.571 1.00 0.00 H new ATOM 0 HA GLN A 71 -4.930 13.875 -3.197 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.249 14.692 -2.020 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.688 15.682 -1.879 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -4.831 14.005 -0.590 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -3.611 12.799 -0.948 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -4.660 15.182 1.241 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.220 15.246 2.263 1.00 0.00 H new ATOM 1183 N GLN A 72 -3.795 14.623 -5.661 1.00 0.00 N ATOM 1184 CA GLN A 72 -3.632 15.488 -6.824 1.00 0.00 C ATOM 1185 C GLN A 72 -4.554 16.699 -6.735 1.00 0.00 C ATOM 1186 O GLN A 72 -5.393 16.789 -5.839 1.00 0.00 O ATOM 1187 CB GLN A 72 -3.915 14.709 -8.109 1.00 0.00 C ATOM 1188 CG GLN A 72 -3.313 15.344 -9.351 1.00 0.00 C ATOM 1189 CD GLN A 72 -3.015 14.332 -10.439 1.00 0.00 C ATOM 1190 OE1 GLN A 72 -3.690 13.308 -10.553 1.00 0.00 O ATOM 1191 NE2 GLN A 72 -1.999 14.612 -11.247 1.00 0.00 N ATOM 0 H GLN A 72 -4.009 13.651 -5.884 1.00 0.00 H new ATOM 0 HA GLN A 72 -2.601 15.841 -6.842 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -3.525 13.697 -8.003 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -4.993 14.623 -8.242 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -4.000 16.097 -9.739 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -2.393 15.862 -9.080 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -1.466 15.472 -11.117 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -1.752 13.967 -11.998 1.00 0.00 H new ATOM 1200 N ARG A 73 -4.393 17.629 -7.671 1.00 0.00 N ATOM 1201 CA ARG A 73 -5.210 18.836 -7.697 1.00 0.00 C ATOM 1202 C ARG A 73 -6.679 18.503 -7.454 1.00 0.00 C ATOM 1203 O ARG A 73 -7.382 18.054 -8.359 1.00 0.00 O ATOM 1204 CB ARG A 73 -5.054 19.554 -9.039 1.00 0.00 C ATOM 1205 CG ARG A 73 -3.647 20.068 -9.295 1.00 0.00 C ATOM 1206 CD ARG A 73 -3.514 20.656 -10.692 1.00 0.00 C ATOM 1207 NE ARG A 73 -2.124 20.947 -11.033 1.00 0.00 N ATOM 1208 CZ ARG A 73 -1.754 21.544 -12.160 1.00 0.00 C ATOM 1209 NH1 ARG A 73 -2.665 21.912 -13.050 1.00 0.00 N ATOM 1210 NH2 ARG A 73 -0.469 21.775 -12.399 1.00 0.00 N ATOM 0 H ARG A 73 -3.704 17.570 -8.421 1.00 0.00 H new ATOM 0 HA ARG A 73 -4.867 19.494 -6.899 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.334 18.871 -9.841 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.750 20.392 -9.076 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.395 20.827 -8.554 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.933 19.254 -9.172 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.927 19.958 -11.420 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.103 21.571 -10.758 1.00 0.00 H new ATOM 0 HE ARG A 73 -1.398 20.677 -10.369 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.654 21.737 -12.870 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.377 22.370 -13.915 1.00 0.00 H new ATOM 0 HH21 ARG A 73 0.235 21.494 -11.717 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -0.186 22.234 -13.265 1.00 0.00 H new ATOM 1224 N ARG A 74 -7.136 18.727 -6.226 1.00 0.00 N ATOM 1225 CA ARG A 74 -8.520 18.449 -5.863 1.00 0.00 C ATOM 1226 C ARG A 74 -8.966 19.333 -4.703 1.00 0.00 C ATOM 1227 O ARG A 74 -8.184 19.633 -3.802 1.00 0.00 O ATOM 1228 CB ARG A 74 -8.686 16.975 -5.489 1.00 0.00 C ATOM 1229 CG ARG A 74 -10.071 16.424 -5.783 1.00 0.00 C ATOM 1230 CD ARG A 74 -10.049 14.910 -5.926 1.00 0.00 C ATOM 1231 NE ARG A 74 -9.540 14.491 -7.229 1.00 0.00 N ATOM 1232 CZ ARG A 74 -9.143 13.252 -7.499 1.00 0.00 C ATOM 1233 NH1 ARG A 74 -9.196 12.316 -6.562 1.00 0.00 N ATOM 1234 NH2 ARG A 74 -8.692 12.948 -8.709 1.00 0.00 N ATOM 0 H ARG A 74 -6.568 19.100 -5.466 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.147 18.670 -6.727 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -7.947 16.386 -6.032 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.473 16.852 -4.427 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.753 16.705 -4.981 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -10.455 16.872 -6.700 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.429 14.481 -5.139 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -11.057 14.518 -5.787 1.00 0.00 H new ATOM 0 HE ARG A 74 -9.486 15.187 -7.972 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -9.542 12.546 -5.631 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -8.891 11.366 -6.772 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -8.650 13.666 -9.433 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -8.387 11.997 -8.916 1.00 0.00 H new ATOM 1248 N ASN A 75 -10.229 19.748 -4.732 1.00 0.00 N ATOM 1249 CA ASN A 75 -10.778 20.599 -3.683 1.00 0.00 C ATOM 1250 C ASN A 75 -11.094 19.785 -2.432 1.00 0.00 C ATOM 1251 O ASN A 75 -12.212 19.299 -2.260 1.00 0.00 O ATOM 1252 CB ASN A 75 -12.043 21.303 -4.179 1.00 0.00 C ATOM 1253 CG ASN A 75 -11.732 22.506 -5.047 1.00 0.00 C ATOM 1254 OD1 ASN A 75 -10.611 23.016 -5.042 1.00 0.00 O ATOM 1255 ND2 ASN A 75 -12.725 22.967 -5.799 1.00 0.00 N ATOM 0 H ASN A 75 -10.891 19.509 -5.470 1.00 0.00 H new ATOM 0 HA ASN A 75 -10.029 21.348 -3.428 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -12.650 20.597 -4.745 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -12.638 21.620 -3.323 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -12.574 23.775 -6.404 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -13.638 22.513 -5.772 1.00 0.00 H new ATOM 1262 N ASP A 76 -10.101 19.641 -1.561 1.00 0.00 N ATOM 1263 CA ASP A 76 -10.272 18.887 -0.324 1.00 0.00 C ATOM 1264 C ASP A 76 -9.919 19.744 0.888 1.00 0.00 C ATOM 1265 O ASP A 76 -9.000 20.562 0.854 1.00 0.00 O ATOM 1266 CB ASP A 76 -9.404 17.628 -0.344 1.00 0.00 C ATOM 1267 CG ASP A 76 -7.923 17.945 -0.279 1.00 0.00 C ATOM 1268 OD1 ASP A 76 -7.451 18.747 -1.112 1.00 0.00 O ATOM 1269 OD2 ASP A 76 -7.235 17.390 0.604 1.00 0.00 O ATOM 0 H ASP A 76 -9.169 20.036 -1.689 1.00 0.00 H new ATOM 0 HA ASP A 76 -11.319 18.595 -0.248 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -9.674 16.991 0.498 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -9.612 17.061 -1.252 1.00 0.00 H new ATOM 1274 N PRO A 77 -10.667 19.554 1.985 1.00 0.00 N ATOM 1275 CA PRO A 77 -10.452 20.301 3.228 1.00 0.00 C ATOM 1276 C PRO A 77 -9.154 19.906 3.925 1.00 0.00 C ATOM 1277 O PRO A 77 -8.588 18.848 3.650 1.00 0.00 O ATOM 1278 CB PRO A 77 -11.659 19.915 4.087 1.00 0.00 C ATOM 1279 CG PRO A 77 -12.081 18.583 3.570 1.00 0.00 C ATOM 1280 CD PRO A 77 -11.779 18.596 2.097 1.00 0.00 C ATOM 0 HA PRO A 77 -10.364 21.373 3.049 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -11.393 19.864 5.143 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -12.461 20.648 3.995 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -11.541 17.780 4.072 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -13.143 18.413 3.749 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -11.495 17.607 1.736 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -12.643 18.913 1.513 1.00 0.00 H new ATOM 1288 N SER A 78 -8.687 20.763 4.827 1.00 0.00 N ATOM 1289 CA SER A 78 -7.454 20.504 5.561 1.00 0.00 C ATOM 1290 C SER A 78 -7.746 19.811 6.888 1.00 0.00 C ATOM 1291 O SER A 78 -8.790 20.032 7.500 1.00 0.00 O ATOM 1292 CB SER A 78 -6.701 21.812 5.811 1.00 0.00 C ATOM 1293 OG SER A 78 -5.914 22.171 4.689 1.00 0.00 O ATOM 0 H SER A 78 -9.144 21.643 5.067 1.00 0.00 H new ATOM 0 HA SER A 78 -6.832 19.844 4.956 1.00 0.00 H new ATOM 0 HB2 SER A 78 -7.412 22.608 6.030 1.00 0.00 H new ATOM 0 HB3 SER A 78 -6.062 21.705 6.688 1.00 0.00 H new ATOM 0 HG SER A 78 -5.445 23.011 4.874 1.00 0.00 H new ATOM 1299 N GLY A 79 -6.815 18.969 7.326 1.00 0.00 N ATOM 1300 CA GLY A 79 -6.990 18.255 8.577 1.00 0.00 C ATOM 1301 C GLY A 79 -5.673 17.958 9.265 1.00 0.00 C ATOM 1302 O GLY A 79 -5.311 18.588 10.259 1.00 0.00 O ATOM 0 H GLY A 79 -5.943 18.769 6.837 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.619 18.845 9.243 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.516 17.319 8.387 1.00 0.00 H new ATOM 1306 N PRO A 80 -4.931 16.975 8.732 1.00 0.00 N ATOM 1307 CA PRO A 80 -3.635 16.572 9.286 1.00 0.00 C ATOM 1308 C PRO A 80 -2.560 17.632 9.074 1.00 0.00 C ATOM 1309 O PRO A 80 -2.712 18.527 8.243 1.00 0.00 O ATOM 1310 CB PRO A 80 -3.295 15.301 8.505 1.00 0.00 C ATOM 1311 CG PRO A 80 -4.037 15.436 7.220 1.00 0.00 C ATOM 1312 CD PRO A 80 -5.301 16.181 7.548 1.00 0.00 C ATOM 0 HA PRO A 80 -3.680 16.425 10.365 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -2.222 15.216 8.335 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -3.604 14.408 9.048 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -3.445 15.978 6.483 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -4.260 14.458 6.794 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -5.619 16.816 6.721 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -6.125 15.500 7.762 1.00 0.00 H new ATOM 1320 N SER A 81 -1.472 17.524 9.830 1.00 0.00 N ATOM 1321 CA SER A 81 -0.372 18.476 9.727 1.00 0.00 C ATOM 1322 C SER A 81 0.890 17.921 10.381 1.00 0.00 C ATOM 1323 O SER A 81 0.829 16.979 11.172 1.00 0.00 O ATOM 1324 CB SER A 81 -0.756 19.805 10.379 1.00 0.00 C ATOM 1325 OG SER A 81 -1.374 20.672 9.445 1.00 0.00 O ATOM 0 H SER A 81 -1.329 16.787 10.520 1.00 0.00 H new ATOM 0 HA SER A 81 -0.168 18.644 8.670 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.433 19.622 11.213 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.134 20.283 10.790 1.00 0.00 H new ATOM 0 HG SER A 81 -1.960 20.153 8.855 1.00 0.00 H new ATOM 1331 N SER A 82 2.032 18.512 10.046 1.00 0.00 N ATOM 1332 CA SER A 82 3.310 18.075 10.597 1.00 0.00 C ATOM 1333 C SER A 82 4.053 19.243 11.237 1.00 0.00 C ATOM 1334 O SER A 82 4.161 20.320 10.653 1.00 0.00 O ATOM 1335 CB SER A 82 4.173 17.445 9.502 1.00 0.00 C ATOM 1336 OG SER A 82 5.217 16.667 10.061 1.00 0.00 O ATOM 0 H SER A 82 2.099 19.295 9.396 1.00 0.00 H new ATOM 0 HA SER A 82 3.110 17.329 11.366 1.00 0.00 H new ATOM 0 HB2 SER A 82 3.553 16.820 8.860 1.00 0.00 H new ATOM 0 HB3 SER A 82 4.596 18.228 8.872 1.00 0.00 H new ATOM 0 HG SER A 82 5.753 16.274 9.341 1.00 0.00 H new ATOM 1342 N GLY A 83 4.563 19.021 12.445 1.00 0.00 N ATOM 1343 CA GLY A 83 5.289 20.064 13.146 1.00 0.00 C ATOM 1344 C GLY A 83 4.730 21.446 12.871 1.00 0.00 C ATOM 1345 O GLY A 83 3.948 21.975 13.661 1.00 0.00 O ATOM 0 H GLY A 83 4.486 18.138 12.950 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.255 19.868 14.218 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.338 20.034 12.850 1.00 0.00 H new TER 1349 GLY A 83