USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 846 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 NoAdj-H: A 55 HIS HD1 : A 55 HIS ND1 : A 200 ZNZN :(H bumps) USER MOD Set 1.1: A 19 SER OG : rot -158:sc= 0.459 USER MOD Set 1.2: A 31 ASN : amide:sc= 0.963 K(o=1.4,f=-0.85!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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 HIS : no HD1:sc= -0.345 K(o=-0.35,f=-1.1) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 56:sc= -0.0214 USER MOD Single : A 17 LYS NZ :NH3+ -163:sc= -0.0236 (180deg=-0.245) USER MOD Single : A 18 SER OG : rot 160:sc= -0.403 USER MOD Single : A 21 SER OG : rot 152:sc= 1.55 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 151:sc= -1.32 (180deg=-2.73!) USER MOD Single : A 25 THR OG1 : rot 160:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -117:sc= -0.379 (180deg=-2.03!) USER MOD Single : A 28 SER OG : rot 80:sc= 1.08 USER MOD Single : A 32 LYS NZ :NH3+ 147:sc= 0.148 (180deg=-0.00036) USER MOD Single : A 34 ASN : amide:sc= 0.0581 X(o=0.058,f=-0.2) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.348 K(o=-0.35,f=-2.3!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -50:sc= 0.864 USER MOD Single : A 45 HIS :FLIP no HD1:sc= -0.691 F(o=-1.7,f=-0.69) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -2.91 K(o=-2.9,f=-6.3!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0209) USER MOD Single : A 62 LYS NZ :NH3+ -154:sc= -0.0201 (180deg=-0.409) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.185 K(o=-0.19,f=-0.76) USER MOD Single : A 67 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.404) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.0673 K(o=-0.067,f=-1.5) USER MOD Single : A 84 GLN :FLIP amide:sc= -4.38! C(o=-6.2!,f=-4.4!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.176) USER MOD Single : A 89 TYR OH : rot 30:sc= -0.825 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 6:sc= 0.0898 USER MOD Single : A 97 ASN : amide:sc= -1.39 K(o=-1.4,f=-4.6!) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 46:sc= 0.591 USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.169 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.180 14.288 12.505 1.00 0.00 N ATOM 2 CA GLY A 1 -0.082 15.649 12.999 1.00 0.00 C ATOM 3 C GLY A 1 1.285 15.961 13.574 1.00 0.00 C ATOM 4 O GLY A 1 2.183 16.398 12.855 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.133 14.125 12.123 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.524 14.140 11.754 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.001 13.622 13.284 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.298 16.343 12.187 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.840 15.809 13.766 1.00 0.00 H new ATOM 8 N SER A 2 1.444 15.737 14.875 1.00 0.00 N ATOM 9 CA SER A 2 2.710 16.003 15.547 1.00 0.00 C ATOM 10 C SER A 2 3.845 15.215 14.899 1.00 0.00 C ATOM 11 O SER A 2 3.820 13.985 14.865 1.00 0.00 O ATOM 12 CB SER A 2 2.609 15.646 17.031 1.00 0.00 C ATOM 13 OG SER A 2 3.561 16.365 17.795 1.00 0.00 O ATOM 0 H SER A 2 0.712 15.372 15.484 1.00 0.00 H new ATOM 0 HA SER A 2 2.928 17.067 15.451 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.605 15.867 17.394 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.767 14.575 17.162 1.00 0.00 H new ATOM 0 HG SER A 2 3.474 16.120 18.740 1.00 0.00 H new ATOM 19 N SER A 3 4.838 15.934 14.386 1.00 0.00 N ATOM 20 CA SER A 3 5.981 15.303 13.735 1.00 0.00 C ATOM 21 C SER A 3 7.239 15.450 14.585 1.00 0.00 C ATOM 22 O SER A 3 7.216 16.071 15.647 1.00 0.00 O ATOM 23 CB SER A 3 6.211 15.918 12.353 1.00 0.00 C ATOM 24 OG SER A 3 5.310 15.382 11.400 1.00 0.00 O ATOM 0 H SER A 3 4.875 16.953 14.408 1.00 0.00 H new ATOM 0 HA SER A 3 5.762 14.241 13.621 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.087 17.000 12.408 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.236 15.731 12.034 1.00 0.00 H new ATOM 0 HG SER A 3 5.476 15.792 10.526 1.00 0.00 H new ATOM 30 N GLY A 4 8.338 14.872 14.109 1.00 0.00 N ATOM 31 CA GLY A 4 9.591 14.949 14.837 1.00 0.00 C ATOM 32 C GLY A 4 10.789 15.082 13.917 1.00 0.00 C ATOM 33 O GLY A 4 11.207 16.192 13.587 1.00 0.00 O ATOM 0 H GLY A 4 8.383 14.352 13.233 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.562 15.801 15.516 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.706 14.056 15.452 1.00 0.00 H new ATOM 37 N SER A 5 11.344 13.947 13.503 1.00 0.00 N ATOM 38 CA SER A 5 12.504 13.941 12.620 1.00 0.00 C ATOM 39 C SER A 5 12.265 14.829 11.403 1.00 0.00 C ATOM 40 O SER A 5 11.128 15.010 10.967 1.00 0.00 O ATOM 41 CB SER A 5 12.822 12.514 12.171 1.00 0.00 C ATOM 42 OG SER A 5 13.444 11.778 13.210 1.00 0.00 O ATOM 0 H SER A 5 11.009 13.020 13.765 1.00 0.00 H new ATOM 0 HA SER A 5 13.354 14.337 13.175 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.904 12.013 11.866 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.475 12.541 11.299 1.00 0.00 H new ATOM 0 HG SER A 5 13.635 10.869 12.898 1.00 0.00 H new ATOM 48 N SER A 6 13.345 15.380 10.859 1.00 0.00 N ATOM 49 CA SER A 6 13.254 16.252 9.694 1.00 0.00 C ATOM 50 C SER A 6 13.215 15.436 8.406 1.00 0.00 C ATOM 51 O SER A 6 13.615 14.273 8.382 1.00 0.00 O ATOM 52 CB SER A 6 14.438 17.221 9.662 1.00 0.00 C ATOM 53 OG SER A 6 14.308 18.218 10.660 1.00 0.00 O ATOM 0 H SER A 6 14.293 15.238 11.206 1.00 0.00 H new ATOM 0 HA SER A 6 12.328 16.823 9.770 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.367 16.670 9.812 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.501 17.691 8.680 1.00 0.00 H new ATOM 0 HG SER A 6 15.078 18.823 10.620 1.00 0.00 H new ATOM 59 N GLY A 7 12.730 16.055 7.334 1.00 0.00 N ATOM 60 CA GLY A 7 12.647 15.372 6.056 1.00 0.00 C ATOM 61 C GLY A 7 11.420 14.488 5.950 1.00 0.00 C ATOM 62 O GLY A 7 11.200 13.661 6.834 1.00 0.00 O ATOM 0 H GLY A 7 12.393 17.018 7.328 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.630 16.110 5.254 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.541 14.766 5.913 1.00 0.00 H new ATOM 66 N HIS A 8 10.651 14.674 4.888 1.00 0.00 N ATOM 67 CA HIS A 8 9.449 13.883 4.686 1.00 0.00 C ATOM 68 C HIS A 8 9.653 12.931 3.506 1.00 0.00 C ATOM 69 O HIS A 8 9.959 13.337 2.384 1.00 0.00 O ATOM 70 CB HIS A 8 8.226 14.786 4.515 1.00 0.00 C ATOM 71 CG HIS A 8 7.998 15.736 5.667 1.00 0.00 C ATOM 72 ND1 HIS A 8 8.918 16.702 6.035 1.00 0.00 N ATOM 73 CD2 HIS A 8 6.946 15.858 6.527 1.00 0.00 C ATOM 74 CE1 HIS A 8 8.432 17.369 7.072 1.00 0.00 C ATOM 75 NE2 HIS A 8 7.210 16.844 7.375 1.00 0.00 N ATOM 0 H HIS A 8 10.837 15.361 4.158 1.00 0.00 H new ATOM 0 HA HIS A 8 9.258 13.274 5.570 1.00 0.00 H new ATOM 0 HB2 HIS A 8 8.339 15.364 3.598 1.00 0.00 H new ATOM 0 HB3 HIS A 8 7.341 14.162 4.391 1.00 0.00 H new ATOM 0 HD2 HIS A 8 6.050 15.255 6.519 1.00 0.00 H new ATOM 0 HE1 HIS A 8 8.918 18.185 7.587 1.00 0.00 H new ATOM 0 HE2 HIS A 8 6.599 17.158 8.129 1.00 0.00 H new ATOM 83 N LYS A 9 9.475 11.644 3.785 1.00 0.00 N ATOM 84 CA LYS A 9 9.631 10.612 2.767 1.00 0.00 C ATOM 85 C LYS A 9 8.574 10.758 1.677 1.00 0.00 C ATOM 86 O LYS A 9 7.430 11.134 1.934 1.00 0.00 O ATOM 87 CB LYS A 9 9.535 9.222 3.402 1.00 0.00 C ATOM 88 CG LYS A 9 10.870 8.677 3.877 1.00 0.00 C ATOM 89 CD LYS A 9 10.702 7.754 5.072 1.00 0.00 C ATOM 90 CE LYS A 9 12.043 7.405 5.700 1.00 0.00 C ATOM 91 NZ LYS A 9 11.898 6.415 6.803 1.00 0.00 N ATOM 0 H LYS A 9 9.223 11.291 4.708 1.00 0.00 H new ATOM 0 HA LYS A 9 10.615 10.731 2.313 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.848 9.265 4.247 1.00 0.00 H new ATOM 0 HB3 LYS A 9 9.106 8.530 2.677 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.353 8.136 3.063 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.527 9.504 4.145 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.064 8.232 5.816 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.197 6.840 4.759 1.00 0.00 H new ATOM 0 HE2 LYS A 9 12.708 7.003 4.936 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.511 8.311 6.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 12.834 6.203 7.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 11.284 6.809 7.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 11.475 5.541 6.431 1.00 0.00 H new ATOM 105 N PRO A 10 8.963 10.453 0.430 1.00 0.00 N ATOM 106 CA PRO A 10 8.063 10.541 -0.724 1.00 0.00 C ATOM 107 C PRO A 10 6.978 9.471 -0.695 1.00 0.00 C ATOM 108 O PRO A 10 5.800 9.762 -0.905 1.00 0.00 O ATOM 109 CB PRO A 10 8.996 10.325 -1.918 1.00 0.00 C ATOM 110 CG PRO A 10 10.137 9.539 -1.371 1.00 0.00 C ATOM 111 CD PRO A 10 10.311 9.998 0.050 1.00 0.00 C ATOM 0 HA PRO A 10 7.526 11.489 -0.751 1.00 0.00 H new ATOM 0 HB2 PRO A 10 8.493 9.786 -2.721 1.00 0.00 H new ATOM 0 HB3 PRO A 10 9.333 11.275 -2.334 1.00 0.00 H new ATOM 0 HG2 PRO A 10 9.930 8.470 -1.413 1.00 0.00 H new ATOM 0 HG3 PRO A 10 11.044 9.712 -1.951 1.00 0.00 H new ATOM 0 HD2 PRO A 10 10.658 9.190 0.694 1.00 0.00 H new ATOM 0 HD3 PRO A 10 11.043 10.802 0.126 1.00 0.00 H new ATOM 119 N TRP A 11 7.381 8.232 -0.435 1.00 0.00 N ATOM 120 CA TRP A 11 6.441 7.118 -0.379 1.00 0.00 C ATOM 121 C TRP A 11 6.186 6.694 1.063 1.00 0.00 C ATOM 122 O TRP A 11 7.057 6.827 1.922 1.00 0.00 O ATOM 123 CB TRP A 11 6.975 5.933 -1.186 1.00 0.00 C ATOM 124 CG TRP A 11 7.110 6.224 -2.650 1.00 0.00 C ATOM 125 CD1 TRP A 11 8.184 6.789 -3.278 1.00 0.00 C ATOM 126 CD2 TRP A 11 6.137 5.967 -3.668 1.00 0.00 C ATOM 127 NE1 TRP A 11 7.937 6.898 -4.625 1.00 0.00 N ATOM 128 CE2 TRP A 11 6.688 6.400 -4.890 1.00 0.00 C ATOM 129 CE3 TRP A 11 4.855 5.411 -3.667 1.00 0.00 C ATOM 130 CZ2 TRP A 11 6.000 6.295 -6.096 1.00 0.00 C ATOM 131 CZ3 TRP A 11 4.173 5.308 -4.865 1.00 0.00 C ATOM 132 CH2 TRP A 11 4.747 5.747 -6.066 1.00 0.00 C ATOM 0 H TRP A 11 8.352 7.974 -0.260 1.00 0.00 H new ATOM 0 HA TRP A 11 5.497 7.448 -0.813 1.00 0.00 H new ATOM 0 HB2 TRP A 11 7.948 5.642 -0.790 1.00 0.00 H new ATOM 0 HB3 TRP A 11 6.308 5.081 -1.052 1.00 0.00 H new ATOM 0 HD1 TRP A 11 9.093 7.104 -2.788 1.00 0.00 H new ATOM 0 HE1 TRP A 11 8.579 7.287 -5.316 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.405 5.068 -2.747 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 6.440 6.634 -7.022 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 3.181 4.882 -4.876 1.00 0.00 H new ATOM 0 HH2 TRP A 11 4.189 5.651 -6.986 1.00 0.00 H new ATOM 143 N ARG A 12 4.987 6.182 1.321 1.00 0.00 N ATOM 144 CA ARG A 12 4.618 5.738 2.660 1.00 0.00 C ATOM 145 C ARG A 12 4.107 4.301 2.635 1.00 0.00 C ATOM 146 O ARG A 12 3.542 3.850 1.639 1.00 0.00 O ATOM 147 CB ARG A 12 3.549 6.661 3.249 1.00 0.00 C ATOM 148 CG ARG A 12 2.145 6.363 2.748 1.00 0.00 C ATOM 149 CD ARG A 12 1.090 7.015 3.628 1.00 0.00 C ATOM 150 NE ARG A 12 1.557 8.276 4.199 1.00 0.00 N ATOM 151 CZ ARG A 12 1.067 8.803 5.316 1.00 0.00 C ATOM 152 NH1 ARG A 12 0.101 8.181 5.978 1.00 0.00 N ATOM 153 NH2 ARG A 12 1.544 9.954 5.772 1.00 0.00 N ATOM 0 H ARG A 12 4.255 6.064 0.621 1.00 0.00 H new ATOM 0 HA ARG A 12 5.509 5.777 3.287 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.564 6.574 4.335 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.800 7.694 3.008 1.00 0.00 H new ATOM 0 HG2 ARG A 12 2.039 6.722 1.724 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.986 5.285 2.726 1.00 0.00 H new ATOM 0 HD2 ARG A 12 0.189 7.194 3.041 1.00 0.00 H new ATOM 0 HD3 ARG A 12 0.816 6.332 4.432 1.00 0.00 H new ATOM 0 HE ARG A 12 2.300 8.779 3.714 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -0.268 7.296 5.630 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.273 8.588 6.835 1.00 0.00 H new ATOM 0 HH21 ARG A 12 2.287 10.435 5.265 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.168 10.358 6.629 1.00 0.00 H new ATOM 167 N ALA A 13 4.310 3.587 3.737 1.00 0.00 N ATOM 168 CA ALA A 13 3.869 2.202 3.842 1.00 0.00 C ATOM 169 C ALA A 13 3.131 1.958 5.155 1.00 0.00 C ATOM 170 O ALA A 13 3.657 2.236 6.232 1.00 0.00 O ATOM 171 CB ALA A 13 5.056 1.259 3.719 1.00 0.00 C ATOM 0 H ALA A 13 4.777 3.945 4.570 1.00 0.00 H new ATOM 0 HA ALA A 13 3.176 2.005 3.024 1.00 0.00 H new ATOM 0 HB1 ALA A 13 4.711 0.228 3.799 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.539 1.406 2.753 1.00 0.00 H new ATOM 0 HB3 ALA A 13 5.770 1.466 4.517 1.00 0.00 H new ATOM 177 N GLU A 14 1.912 1.439 5.056 1.00 0.00 N ATOM 178 CA GLU A 14 1.103 1.160 6.236 1.00 0.00 C ATOM 179 C GLU A 14 -0.181 0.427 5.856 1.00 0.00 C ATOM 180 O GLU A 14 -0.729 0.635 4.774 1.00 0.00 O ATOM 181 CB GLU A 14 0.763 2.461 6.968 1.00 0.00 C ATOM 182 CG GLU A 14 0.030 3.472 6.102 1.00 0.00 C ATOM 183 CD GLU A 14 -0.010 4.853 6.726 1.00 0.00 C ATOM 184 OE1 GLU A 14 1.046 5.324 7.196 1.00 0.00 O ATOM 185 OE2 GLU A 14 -1.100 5.464 6.743 1.00 0.00 O ATOM 0 H GLU A 14 1.463 1.203 4.171 1.00 0.00 H new ATOM 0 HA GLU A 14 1.684 0.519 6.899 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.150 2.229 7.839 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.684 2.912 7.338 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.516 3.531 5.128 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.989 3.126 5.929 1.00 0.00 H new ATOM 192 N TYR A 15 -0.652 -0.431 6.753 1.00 0.00 N ATOM 193 CA TYR A 15 -1.869 -1.198 6.512 1.00 0.00 C ATOM 194 C TYR A 15 -3.108 -0.333 6.720 1.00 0.00 C ATOM 195 O TYR A 15 -3.248 0.333 7.746 1.00 0.00 O ATOM 196 CB TYR A 15 -1.921 -2.415 7.436 1.00 0.00 C ATOM 197 CG TYR A 15 -0.932 -3.498 7.068 1.00 0.00 C ATOM 198 CD1 TYR A 15 -1.172 -4.351 5.998 1.00 0.00 C ATOM 199 CD2 TYR A 15 0.242 -3.668 7.790 1.00 0.00 C ATOM 200 CE1 TYR A 15 -0.271 -5.342 5.658 1.00 0.00 C ATOM 201 CE2 TYR A 15 1.150 -4.655 7.457 1.00 0.00 C ATOM 202 CZ TYR A 15 0.888 -5.490 6.390 1.00 0.00 C ATOM 203 OH TYR A 15 1.789 -6.475 6.056 1.00 0.00 O ATOM 0 H TYR A 15 -0.210 -0.613 7.654 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.855 -1.537 5.476 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -1.729 -2.092 8.459 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.928 -2.832 7.417 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.078 -4.238 5.422 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.449 -3.017 8.627 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.474 -5.997 4.824 1.00 0.00 H new ATOM 0 HE2 TYR A 15 2.059 -4.772 8.028 1.00 0.00 H new ATOM 0 HH TYR A 15 2.051 -6.374 5.117 1.00 0.00 H new ATOM 213 N ALA A 16 -4.006 -0.350 5.740 1.00 0.00 N ATOM 214 CA ALA A 16 -5.235 0.429 5.816 1.00 0.00 C ATOM 215 C ALA A 16 -6.059 0.037 7.038 1.00 0.00 C ATOM 216 O ALA A 16 -5.985 -1.097 7.512 1.00 0.00 O ATOM 217 CB ALA A 16 -6.053 0.251 4.546 1.00 0.00 C ATOM 0 H ALA A 16 -3.905 -0.895 4.884 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.964 1.480 5.915 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.968 0.839 4.617 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.471 0.588 3.688 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.307 -0.802 4.421 1.00 0.00 H new ATOM 223 N LYS A 17 -6.845 0.981 7.544 1.00 0.00 N ATOM 224 CA LYS A 17 -7.684 0.735 8.710 1.00 0.00 C ATOM 225 C LYS A 17 -9.148 0.591 8.306 1.00 0.00 C ATOM 226 O LYS A 17 -9.951 0.016 9.041 1.00 0.00 O ATOM 227 CB LYS A 17 -7.533 1.873 9.723 1.00 0.00 C ATOM 228 CG LYS A 17 -6.180 1.898 10.411 1.00 0.00 C ATOM 229 CD LYS A 17 -6.085 3.037 11.413 1.00 0.00 C ATOM 230 CE LYS A 17 -4.840 2.916 12.278 1.00 0.00 C ATOM 231 NZ LYS A 17 -4.908 1.740 13.188 1.00 0.00 N ATOM 0 H LYS A 17 -6.918 1.925 7.164 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.358 -0.198 9.170 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.690 2.824 9.215 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.314 1.782 10.478 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.012 0.949 10.920 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.393 2.002 9.664 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.070 3.989 10.883 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.971 3.040 12.047 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.961 2.830 11.639 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.718 3.825 12.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.203 1.846 13.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.859 1.679 13.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.710 0.873 12.650 1.00 0.00 H new ATOM 245 N SER A 18 -9.488 1.116 7.133 1.00 0.00 N ATOM 246 CA SER A 18 -10.856 1.047 6.633 1.00 0.00 C ATOM 247 C SER A 18 -10.873 0.930 5.112 1.00 0.00 C ATOM 248 O SER A 18 -9.896 1.264 4.442 1.00 0.00 O ATOM 249 CB SER A 18 -11.644 2.284 7.070 1.00 0.00 C ATOM 250 OG SER A 18 -13.026 2.130 6.798 1.00 0.00 O ATOM 0 H SER A 18 -8.835 1.594 6.512 1.00 0.00 H new ATOM 0 HA SER A 18 -11.326 0.158 7.054 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.497 2.455 8.136 1.00 0.00 H new ATOM 0 HB3 SER A 18 -11.264 3.164 6.551 1.00 0.00 H new ATOM 0 HG SER A 18 -13.540 2.754 7.352 1.00 0.00 H new ATOM 256 N SER A 19 -11.991 0.453 4.574 1.00 0.00 N ATOM 257 CA SER A 19 -12.136 0.288 3.132 1.00 0.00 C ATOM 258 C SER A 19 -12.770 1.525 2.505 1.00 0.00 C ATOM 259 O SER A 19 -13.520 1.426 1.533 1.00 0.00 O ATOM 260 CB SER A 19 -12.983 -0.948 2.822 1.00 0.00 C ATOM 261 OG SER A 19 -12.643 -2.027 3.675 1.00 0.00 O ATOM 0 H SER A 19 -12.810 0.174 5.115 1.00 0.00 H new ATOM 0 HA SER A 19 -11.142 0.155 2.704 1.00 0.00 H new ATOM 0 HB2 SER A 19 -14.040 -0.707 2.939 1.00 0.00 H new ATOM 0 HB3 SER A 19 -12.836 -1.242 1.783 1.00 0.00 H new ATOM 0 HG SER A 19 -12.910 -2.872 3.256 1.00 0.00 H new ATOM 267 N ARG A 20 -12.465 2.689 3.068 1.00 0.00 N ATOM 268 CA ARG A 20 -13.006 3.946 2.565 1.00 0.00 C ATOM 269 C ARG A 20 -12.137 4.500 1.439 1.00 0.00 C ATOM 270 O ARG A 20 -12.645 5.067 0.471 1.00 0.00 O ATOM 271 CB ARG A 20 -13.108 4.971 3.696 1.00 0.00 C ATOM 272 CG ARG A 20 -14.175 4.636 4.726 1.00 0.00 C ATOM 273 CD ARG A 20 -14.555 5.856 5.550 1.00 0.00 C ATOM 274 NE ARG A 20 -13.728 5.988 6.747 1.00 0.00 N ATOM 275 CZ ARG A 20 -12.524 6.550 6.750 1.00 0.00 C ATOM 276 NH1 ARG A 20 -12.010 7.030 5.625 1.00 0.00 N ATOM 277 NH2 ARG A 20 -11.833 6.633 7.879 1.00 0.00 N ATOM 0 H ARG A 20 -11.846 2.788 3.873 1.00 0.00 H new ATOM 0 HA ARG A 20 -14.003 3.751 2.169 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -12.142 5.045 4.196 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -13.322 5.951 3.269 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -15.059 4.246 4.222 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -13.811 3.849 5.386 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -14.453 6.752 4.938 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -15.603 5.785 5.840 1.00 0.00 H new ATOM 0 HE ARG A 20 -14.095 5.629 7.629 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.539 6.968 4.755 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.086 7.461 5.630 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.226 6.265 8.746 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.909 7.065 7.881 1.00 0.00 H new ATOM 291 N SER A 21 -10.826 4.334 1.574 1.00 0.00 N ATOM 292 CA SER A 21 -9.886 4.821 0.571 1.00 0.00 C ATOM 293 C SER A 21 -9.975 3.990 -0.705 1.00 0.00 C ATOM 294 O SER A 21 -10.232 2.787 -0.660 1.00 0.00 O ATOM 295 CB SER A 21 -8.458 4.784 1.119 1.00 0.00 C ATOM 296 OG SER A 21 -7.535 5.293 0.171 1.00 0.00 O ATOM 0 H SER A 21 -10.390 3.866 2.368 1.00 0.00 H new ATOM 0 HA SER A 21 -10.149 5.851 0.332 1.00 0.00 H new ATOM 0 HB2 SER A 21 -8.402 5.370 2.037 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.191 3.759 1.378 1.00 0.00 H new ATOM 0 HG SER A 21 -6.768 5.684 0.639 1.00 0.00 H new ATOM 302 N SER A 22 -9.759 4.641 -1.844 1.00 0.00 N ATOM 303 CA SER A 22 -9.818 3.964 -3.134 1.00 0.00 C ATOM 304 C SER A 22 -8.571 4.261 -3.961 1.00 0.00 C ATOM 305 O SER A 22 -8.144 5.411 -4.072 1.00 0.00 O ATOM 306 CB SER A 22 -11.068 4.396 -3.904 1.00 0.00 C ATOM 307 OG SER A 22 -12.173 4.557 -3.032 1.00 0.00 O ATOM 0 H SER A 22 -9.542 5.636 -1.899 1.00 0.00 H new ATOM 0 HA SER A 22 -9.865 2.891 -2.951 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.872 5.333 -4.425 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.306 3.652 -4.664 1.00 0.00 H new ATOM 0 HG SER A 22 -12.959 4.835 -3.548 1.00 0.00 H new ATOM 313 N CYS A 23 -7.989 3.215 -4.540 1.00 0.00 N ATOM 314 CA CYS A 23 -6.790 3.361 -5.356 1.00 0.00 C ATOM 315 C CYS A 23 -7.032 4.331 -6.509 1.00 0.00 C ATOM 316 O CYS A 23 -8.175 4.612 -6.870 1.00 0.00 O ATOM 317 CB CYS A 23 -6.352 2.001 -5.903 1.00 0.00 C ATOM 318 SG CYS A 23 -4.836 2.059 -6.912 1.00 0.00 S ATOM 0 H CYS A 23 -8.329 2.257 -4.459 1.00 0.00 H new ATOM 0 HA CYS A 23 -5.998 3.764 -4.725 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -6.194 1.319 -5.067 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -7.161 1.586 -6.505 1.00 0.00 H new ATOM 323 N LYS A 24 -5.948 4.840 -7.084 1.00 0.00 N ATOM 324 CA LYS A 24 -6.040 5.777 -8.197 1.00 0.00 C ATOM 325 C LYS A 24 -5.545 5.136 -9.490 1.00 0.00 C ATOM 326 O LYS A 24 -5.989 5.493 -10.582 1.00 0.00 O ATOM 327 CB LYS A 24 -5.226 7.038 -7.898 1.00 0.00 C ATOM 328 CG LYS A 24 -5.659 7.754 -6.629 1.00 0.00 C ATOM 329 CD LYS A 24 -6.736 8.788 -6.912 1.00 0.00 C ATOM 330 CE LYS A 24 -6.137 10.094 -7.411 1.00 0.00 C ATOM 331 NZ LYS A 24 -5.756 10.016 -8.849 1.00 0.00 N ATOM 0 H LYS A 24 -4.994 4.619 -6.797 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.088 6.049 -8.324 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.173 6.769 -7.812 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.312 7.724 -8.740 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.033 7.026 -5.909 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.797 8.241 -6.173 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.431 8.397 -7.656 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.311 8.973 -6.005 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.856 10.901 -7.269 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.258 10.342 -6.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.825 10.961 -9.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.779 9.669 -8.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.398 9.364 -9.343 1.00 0.00 H new ATOM 345 N THR A 25 -4.625 4.186 -9.360 1.00 0.00 N ATOM 346 CA THR A 25 -4.071 3.495 -10.518 1.00 0.00 C ATOM 347 C THR A 25 -5.110 2.588 -11.166 1.00 0.00 C ATOM 348 O THR A 25 -5.214 2.522 -12.392 1.00 0.00 O ATOM 349 CB THR A 25 -2.839 2.653 -10.134 1.00 0.00 C ATOM 350 OG1 THR A 25 -1.702 3.503 -9.953 1.00 0.00 O ATOM 351 CG2 THR A 25 -2.538 1.615 -11.204 1.00 0.00 C ATOM 0 H THR A 25 -4.247 3.877 -8.464 1.00 0.00 H new ATOM 0 HA THR A 25 -3.769 4.263 -11.230 1.00 0.00 H new ATOM 0 HB THR A 25 -3.057 2.135 -9.200 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.028 3.038 -9.414 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.664 1.033 -10.911 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.395 0.951 -11.318 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.339 2.116 -12.151 1.00 0.00 H new ATOM 359 N CYS A 26 -5.879 1.890 -10.337 1.00 0.00 N ATOM 360 CA CYS A 26 -6.912 0.987 -10.829 1.00 0.00 C ATOM 361 C CYS A 26 -8.304 1.546 -10.549 1.00 0.00 C ATOM 362 O CYS A 26 -9.295 1.092 -11.120 1.00 0.00 O ATOM 363 CB CYS A 26 -6.765 -0.391 -10.181 1.00 0.00 C ATOM 364 SG CYS A 26 -7.126 -0.415 -8.395 1.00 0.00 S ATOM 0 H CYS A 26 -5.806 1.933 -9.321 1.00 0.00 H new ATOM 0 HA CYS A 26 -6.789 0.890 -11.908 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -7.432 -1.091 -10.685 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -5.748 -0.749 -10.340 1.00 0.00 H new ATOM 369 N LYS A 27 -8.370 2.537 -9.666 1.00 0.00 N ATOM 370 CA LYS A 27 -9.638 3.161 -9.310 1.00 0.00 C ATOM 371 C LYS A 27 -10.538 2.180 -8.565 1.00 0.00 C ATOM 372 O LYS A 27 -11.744 2.125 -8.804 1.00 0.00 O ATOM 373 CB LYS A 27 -10.350 3.671 -10.565 1.00 0.00 C ATOM 374 CG LYS A 27 -9.450 4.469 -11.492 1.00 0.00 C ATOM 375 CD LYS A 27 -9.021 5.782 -10.859 1.00 0.00 C ATOM 376 CE LYS A 27 -10.131 6.821 -10.923 1.00 0.00 C ATOM 377 NZ LYS A 27 -11.024 6.752 -9.734 1.00 0.00 N ATOM 0 H LYS A 27 -7.559 2.925 -9.184 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.427 4.004 -8.652 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.759 2.821 -11.112 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.194 4.293 -10.267 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.568 3.879 -11.741 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.974 4.669 -12.427 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.740 5.611 -9.820 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.136 6.161 -11.370 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.693 7.817 -10.991 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.719 6.669 -11.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.986 6.499 -10.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.668 6.031 -9.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.042 7.677 -9.259 1.00 0.00 H new ATOM 391 N SER A 28 -9.943 1.407 -7.662 1.00 0.00 N ATOM 392 CA SER A 28 -10.691 0.426 -6.884 1.00 0.00 C ATOM 393 C SER A 28 -10.655 0.769 -5.398 1.00 0.00 C ATOM 394 O SER A 28 -10.027 1.747 -4.989 1.00 0.00 O ATOM 395 CB SER A 28 -10.122 -0.976 -7.109 1.00 0.00 C ATOM 396 OG SER A 28 -9.872 -1.210 -8.485 1.00 0.00 O ATOM 0 H SER A 28 -8.946 1.441 -7.451 1.00 0.00 H new ATOM 0 HA SER A 28 -11.728 0.448 -7.219 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.198 -1.092 -6.543 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.822 -1.721 -6.731 1.00 0.00 H new ATOM 0 HG SER A 28 -9.025 -0.788 -8.740 1.00 0.00 H new ATOM 402 N VAL A 29 -11.333 -0.043 -4.593 1.00 0.00 N ATOM 403 CA VAL A 29 -11.378 0.173 -3.151 1.00 0.00 C ATOM 404 C VAL A 29 -10.257 -0.583 -2.447 1.00 0.00 C ATOM 405 O VAL A 29 -9.954 -1.726 -2.791 1.00 0.00 O ATOM 406 CB VAL A 29 -12.730 -0.268 -2.560 1.00 0.00 C ATOM 407 CG1 VAL A 29 -12.555 -0.756 -1.130 1.00 0.00 C ATOM 408 CG2 VAL A 29 -13.736 0.871 -2.624 1.00 0.00 C ATOM 0 H VAL A 29 -11.858 -0.856 -4.914 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.250 1.243 -2.987 1.00 0.00 H new ATOM 0 HB VAL A 29 -13.114 -1.096 -3.156 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -13.521 -1.063 -0.730 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.870 -1.604 -1.116 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -12.148 0.049 -0.518 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -14.686 0.542 -2.202 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -13.361 1.721 -2.053 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.884 1.168 -3.662 1.00 0.00 H new ATOM 418 N ILE A 30 -9.646 0.062 -1.459 1.00 0.00 N ATOM 419 CA ILE A 30 -8.559 -0.551 -0.705 1.00 0.00 C ATOM 420 C ILE A 30 -9.028 -0.988 0.678 1.00 0.00 C ATOM 421 O ILE A 30 -8.944 -0.227 1.642 1.00 0.00 O ATOM 422 CB ILE A 30 -7.368 0.413 -0.551 1.00 0.00 C ATOM 423 CG1 ILE A 30 -6.814 0.799 -1.924 1.00 0.00 C ATOM 424 CG2 ILE A 30 -6.281 -0.220 0.305 1.00 0.00 C ATOM 425 CD1 ILE A 30 -6.028 2.091 -1.917 1.00 0.00 C ATOM 0 H ILE A 30 -9.885 1.008 -1.162 1.00 0.00 H new ATOM 0 HA ILE A 30 -8.237 -1.426 -1.269 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.715 1.318 -0.053 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.173 -0.005 -2.287 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.641 0.890 -2.628 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.446 0.474 0.404 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.682 -0.449 1.292 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.935 -1.139 -0.168 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.666 2.302 -2.923 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.671 2.906 -1.584 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.180 1.997 -1.238 1.00 0.00 H new ATOM 437 N ASN A 31 -9.520 -2.219 0.769 1.00 0.00 N ATOM 438 CA ASN A 31 -10.001 -2.758 2.035 1.00 0.00 C ATOM 439 C ASN A 31 -8.908 -2.708 3.099 1.00 0.00 C ATOM 440 O ASN A 31 -7.721 -2.803 2.789 1.00 0.00 O ATOM 441 CB ASN A 31 -10.482 -4.199 1.850 1.00 0.00 C ATOM 442 CG ASN A 31 -11.859 -4.273 1.219 1.00 0.00 C ATOM 443 OD1 ASN A 31 -12.844 -3.811 1.795 1.00 0.00 O ATOM 444 ND2 ASN A 31 -11.933 -4.856 0.028 1.00 0.00 N ATOM 0 H ASN A 31 -9.596 -2.862 -0.019 1.00 0.00 H new ATOM 0 HA ASN A 31 -10.837 -2.143 2.369 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -9.770 -4.739 1.226 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -10.502 -4.700 2.818 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -12.833 -4.935 -0.446 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -11.090 -5.225 -0.412 1.00 0.00 H new ATOM 451 N LYS A 32 -9.318 -2.558 4.354 1.00 0.00 N ATOM 452 CA LYS A 32 -8.376 -2.496 5.465 1.00 0.00 C ATOM 453 C LYS A 32 -7.612 -3.809 5.604 1.00 0.00 C ATOM 454 O LYS A 32 -8.025 -4.837 5.067 1.00 0.00 O ATOM 455 CB LYS A 32 -9.113 -2.182 6.769 1.00 0.00 C ATOM 456 CG LYS A 32 -9.757 -3.398 7.412 1.00 0.00 C ATOM 457 CD LYS A 32 -11.095 -3.052 8.044 1.00 0.00 C ATOM 458 CE LYS A 32 -10.935 -2.654 9.503 1.00 0.00 C ATOM 459 NZ LYS A 32 -12.064 -1.803 9.972 1.00 0.00 N ATOM 0 H LYS A 32 -10.297 -2.477 4.627 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.661 -1.700 5.258 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.412 -1.737 7.475 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.883 -1.436 6.571 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.898 -4.176 6.661 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.090 -3.806 8.171 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.559 -2.235 7.492 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.766 -3.908 7.971 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.875 -3.551 10.120 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.996 -2.115 9.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.252 -1.998 10.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.815 -0.800 9.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.915 -2.016 9.413 1.00 0.00 H new ATOM 473 N GLU A 33 -6.499 -3.767 6.329 1.00 0.00 N ATOM 474 CA GLU A 33 -5.679 -4.955 6.538 1.00 0.00 C ATOM 475 C GLU A 33 -4.918 -5.321 5.267 1.00 0.00 C ATOM 476 O GLU A 33 -4.550 -6.478 5.063 1.00 0.00 O ATOM 477 CB GLU A 33 -6.551 -6.132 6.981 1.00 0.00 C ATOM 478 CG GLU A 33 -7.651 -5.743 7.954 1.00 0.00 C ATOM 479 CD GLU A 33 -7.972 -6.846 8.943 1.00 0.00 C ATOM 480 OE1 GLU A 33 -8.817 -7.706 8.620 1.00 0.00 O ATOM 481 OE2 GLU A 33 -7.376 -6.849 10.041 1.00 0.00 O ATOM 0 H GLU A 33 -6.144 -2.924 6.781 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.956 -4.733 7.322 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.002 -6.591 6.101 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.918 -6.888 7.445 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.349 -4.848 8.499 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.551 -5.488 7.395 1.00 0.00 H new ATOM 488 N ASN A 34 -4.685 -4.327 4.416 1.00 0.00 N ATOM 489 CA ASN A 34 -3.969 -4.544 3.165 1.00 0.00 C ATOM 490 C ASN A 34 -2.787 -3.588 3.042 1.00 0.00 C ATOM 491 O ASN A 34 -2.870 -2.426 3.442 1.00 0.00 O ATOM 492 CB ASN A 34 -4.913 -4.362 1.974 1.00 0.00 C ATOM 493 CG ASN A 34 -5.615 -5.651 1.591 1.00 0.00 C ATOM 494 OD1 ASN A 34 -4.977 -6.690 1.417 1.00 0.00 O ATOM 495 ND2 ASN A 34 -6.934 -5.588 1.457 1.00 0.00 N ATOM 0 H ASN A 34 -4.982 -3.363 4.570 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.589 -5.566 3.166 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -5.658 -3.604 2.217 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -4.348 -3.991 1.119 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -7.461 -6.423 1.200 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -7.421 -4.705 1.611 1.00 0.00 H new ATOM 502 N PHE A 35 -1.687 -4.084 2.485 1.00 0.00 N ATOM 503 CA PHE A 35 -0.487 -3.274 2.309 1.00 0.00 C ATOM 504 C PHE A 35 -0.612 -2.375 1.082 1.00 0.00 C ATOM 505 O PHE A 35 -0.596 -2.851 -0.054 1.00 0.00 O ATOM 506 CB PHE A 35 0.745 -4.171 2.174 1.00 0.00 C ATOM 507 CG PHE A 35 1.920 -3.485 1.540 1.00 0.00 C ATOM 508 CD1 PHE A 35 2.097 -2.117 1.676 1.00 0.00 C ATOM 509 CD2 PHE A 35 2.848 -4.206 0.807 1.00 0.00 C ATOM 510 CE1 PHE A 35 3.178 -1.482 1.094 1.00 0.00 C ATOM 511 CE2 PHE A 35 3.932 -3.577 0.223 1.00 0.00 C ATOM 512 CZ PHE A 35 4.096 -2.213 0.366 1.00 0.00 C ATOM 0 H PHE A 35 -1.602 -5.043 2.148 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.373 -2.643 3.190 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.034 -4.529 3.162 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.483 -5.047 1.581 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.382 -1.540 2.244 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.723 -5.272 0.690 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.305 -0.416 1.208 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.649 -4.151 -0.344 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.941 -1.719 -0.091 1.00 0.00 H new ATOM 522 N ARG A 36 -0.738 -1.074 1.319 1.00 0.00 N ATOM 523 CA ARG A 36 -0.868 -0.108 0.234 1.00 0.00 C ATOM 524 C ARG A 36 0.306 0.866 0.230 1.00 0.00 C ATOM 525 O ARG A 36 1.200 0.782 1.074 1.00 0.00 O ATOM 526 CB ARG A 36 -2.183 0.661 0.363 1.00 0.00 C ATOM 527 CG ARG A 36 -2.389 1.292 1.731 1.00 0.00 C ATOM 528 CD ARG A 36 -3.667 2.115 1.779 1.00 0.00 C ATOM 529 NE ARG A 36 -3.765 2.902 3.005 1.00 0.00 N ATOM 530 CZ ARG A 36 -4.880 3.503 3.405 1.00 0.00 C ATOM 531 NH1 ARG A 36 -5.985 3.408 2.679 1.00 0.00 N ATOM 532 NH2 ARG A 36 -4.891 4.202 4.533 1.00 0.00 N ATOM 0 H ARG A 36 -0.753 -0.664 2.253 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.866 -0.655 -0.709 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.213 1.442 -0.396 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.012 -0.016 0.156 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.429 0.511 2.491 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.537 1.927 1.972 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.702 2.781 0.917 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.529 1.451 1.704 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.932 2.995 3.586 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.980 2.872 1.811 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.840 3.870 2.988 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.043 4.278 5.094 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.748 4.663 4.839 1.00 0.00 H new ATOM 546 N LEU A 37 0.298 1.790 -0.724 1.00 0.00 N ATOM 547 CA LEU A 37 1.362 2.782 -0.839 1.00 0.00 C ATOM 548 C LEU A 37 0.785 4.176 -1.065 1.00 0.00 C ATOM 549 O LEU A 37 -0.059 4.375 -1.937 1.00 0.00 O ATOM 550 CB LEU A 37 2.306 2.415 -1.985 1.00 0.00 C ATOM 551 CG LEU A 37 3.264 1.253 -1.721 1.00 0.00 C ATOM 552 CD1 LEU A 37 4.094 0.954 -2.959 1.00 0.00 C ATOM 553 CD2 LEU A 37 4.165 1.565 -0.535 1.00 0.00 C ATOM 0 H LEU A 37 -0.434 1.873 -1.430 1.00 0.00 H new ATOM 0 HA LEU A 37 1.922 2.789 0.096 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.704 2.171 -2.861 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.896 3.296 -2.239 1.00 0.00 H new ATOM 0 HG LEU A 37 2.675 0.368 -1.482 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.770 0.124 -2.752 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.434 0.687 -3.784 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.674 1.836 -3.230 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.840 0.727 -0.361 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.747 2.462 -0.746 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.554 1.729 0.353 1.00 0.00 H new ATOM 565 N GLY A 38 1.250 5.138 -0.274 1.00 0.00 N ATOM 566 CA GLY A 38 0.771 6.502 -0.405 1.00 0.00 C ATOM 567 C GLY A 38 1.843 7.447 -0.912 1.00 0.00 C ATOM 568 O GLY A 38 2.739 7.839 -0.164 1.00 0.00 O ATOM 0 H GLY A 38 1.950 4.997 0.455 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.079 6.521 -1.088 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.411 6.852 0.562 1.00 0.00 H new ATOM 572 N LYS A 39 1.753 7.812 -2.186 1.00 0.00 N ATOM 573 CA LYS A 39 2.722 8.716 -2.793 1.00 0.00 C ATOM 574 C LYS A 39 2.475 10.155 -2.351 1.00 0.00 C ATOM 575 O LYS A 39 1.596 10.836 -2.882 1.00 0.00 O ATOM 576 CB LYS A 39 2.653 8.621 -4.319 1.00 0.00 C ATOM 577 CG LYS A 39 3.642 9.528 -5.030 1.00 0.00 C ATOM 578 CD LYS A 39 3.874 9.083 -6.465 1.00 0.00 C ATOM 579 CE LYS A 39 5.210 9.580 -6.993 1.00 0.00 C ATOM 580 NZ LYS A 39 5.108 10.957 -7.553 1.00 0.00 N ATOM 0 H LYS A 39 1.018 7.495 -2.819 1.00 0.00 H new ATOM 0 HA LYS A 39 3.717 8.418 -2.461 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.838 7.590 -4.619 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.644 8.872 -4.645 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.269 10.552 -5.021 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.589 9.529 -4.491 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.842 7.995 -6.519 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.069 9.457 -7.098 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.945 9.569 -6.188 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.571 8.900 -7.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.040 11.260 -7.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.425 10.963 -8.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.788 11.611 -6.810 1.00 0.00 H new ATOM 594 N LEU A 40 3.255 10.613 -1.378 1.00 0.00 N ATOM 595 CA LEU A 40 3.122 11.972 -0.866 1.00 0.00 C ATOM 596 C LEU A 40 3.666 12.987 -1.867 1.00 0.00 C ATOM 597 O LEU A 40 4.849 12.969 -2.204 1.00 0.00 O ATOM 598 CB LEU A 40 3.858 12.110 0.468 1.00 0.00 C ATOM 599 CG LEU A 40 3.588 11.015 1.500 1.00 0.00 C ATOM 600 CD1 LEU A 40 4.508 11.173 2.700 1.00 0.00 C ATOM 601 CD2 LEU A 40 2.130 11.041 1.936 1.00 0.00 C ATOM 0 H LEU A 40 3.986 10.063 -0.928 1.00 0.00 H new ATOM 0 HA LEU A 40 2.062 12.173 -0.712 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.929 12.137 0.268 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.592 13.071 0.909 1.00 0.00 H new ATOM 0 HG LEU A 40 3.791 10.049 1.038 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.301 10.385 3.424 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.546 11.103 2.374 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.338 12.145 3.164 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.956 10.255 2.671 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.900 12.010 2.380 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.488 10.877 1.070 1.00 0.00 H new ATOM 613 N VAL A 41 2.793 13.872 -2.338 1.00 0.00 N ATOM 614 CA VAL A 41 3.185 14.897 -3.297 1.00 0.00 C ATOM 615 C VAL A 41 2.929 16.295 -2.745 1.00 0.00 C ATOM 616 O VAL A 41 2.218 16.459 -1.754 1.00 0.00 O ATOM 617 CB VAL A 41 2.430 14.737 -4.630 1.00 0.00 C ATOM 618 CG1 VAL A 41 2.803 13.424 -5.301 1.00 0.00 C ATOM 619 CG2 VAL A 41 0.928 14.822 -4.404 1.00 0.00 C ATOM 0 H VAL A 41 1.809 13.899 -2.071 1.00 0.00 H new ATOM 0 HA VAL A 41 4.253 14.771 -3.475 1.00 0.00 H new ATOM 0 HB VAL A 41 2.722 15.551 -5.293 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.260 13.329 -6.241 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.875 13.408 -5.498 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.542 12.593 -4.645 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.410 14.707 -5.356 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.617 14.029 -3.723 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.680 15.791 -3.970 1.00 0.00 H new ATOM 629 N GLN A 42 3.511 17.298 -3.394 1.00 0.00 N ATOM 630 CA GLN A 42 3.345 18.682 -2.967 1.00 0.00 C ATOM 631 C GLN A 42 2.551 19.478 -3.997 1.00 0.00 C ATOM 632 O GLN A 42 3.070 19.835 -5.055 1.00 0.00 O ATOM 633 CB GLN A 42 4.710 19.335 -2.741 1.00 0.00 C ATOM 634 CG GLN A 42 5.595 18.575 -1.768 1.00 0.00 C ATOM 635 CD GLN A 42 6.454 17.530 -2.453 1.00 0.00 C ATOM 636 OE1 GLN A 42 6.617 17.548 -3.673 1.00 0.00 O ATOM 637 NE2 GLN A 42 7.009 16.613 -1.670 1.00 0.00 N ATOM 0 H GLN A 42 4.101 17.178 -4.217 1.00 0.00 H new ATOM 0 HA GLN A 42 2.790 18.683 -2.029 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.226 19.420 -3.698 1.00 0.00 H new ATOM 0 HB3 GLN A 42 4.561 20.348 -2.368 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.238 19.280 -1.241 1.00 0.00 H new ATOM 0 HG3 GLN A 42 4.971 18.091 -1.017 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.847 16.636 -0.663 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.598 15.885 -2.075 1.00 0.00 H new ATOM 646 N SER A 43 1.290 19.753 -3.681 1.00 0.00 N ATOM 647 CA SER A 43 0.422 20.503 -4.581 1.00 0.00 C ATOM 648 C SER A 43 0.419 21.986 -4.222 1.00 0.00 C ATOM 649 O SER A 43 0.864 22.377 -3.142 1.00 0.00 O ATOM 650 CB SER A 43 -1.004 19.951 -4.528 1.00 0.00 C ATOM 651 OG SER A 43 -1.134 18.797 -5.340 1.00 0.00 O ATOM 0 H SER A 43 0.846 19.468 -2.808 1.00 0.00 H new ATOM 0 HA SER A 43 0.809 20.393 -5.594 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.265 19.706 -3.498 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.706 20.715 -4.862 1.00 0.00 H new ATOM 0 HG SER A 43 -2.054 18.462 -5.288 1.00 0.00 H new ATOM 657 N THR A 44 -0.087 22.809 -5.135 1.00 0.00 N ATOM 658 CA THR A 44 -0.148 24.249 -4.917 1.00 0.00 C ATOM 659 C THR A 44 -1.371 24.628 -4.089 1.00 0.00 C ATOM 660 O THR A 44 -1.985 25.658 -4.361 1.00 0.00 O ATOM 661 CB THR A 44 -0.187 25.018 -6.251 1.00 0.00 C ATOM 662 OG1 THR A 44 -0.106 26.427 -6.007 1.00 0.00 O ATOM 663 CG2 THR A 44 -1.460 24.703 -7.021 1.00 0.00 C ATOM 0 H THR A 44 -0.461 22.503 -6.033 1.00 0.00 H new ATOM 0 HA THR A 44 0.756 24.525 -4.373 1.00 0.00 H new ATOM 0 HB THR A 44 0.667 24.704 -6.851 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.769 26.681 -5.331 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.464 25.258 -7.959 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.503 23.634 -7.231 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.326 24.991 -6.425 1.00 0.00 H new ATOM 671 N HIS A 45 -1.694 23.799 -3.108 1.00 0.00 N ATOM 672 CA HIS A 45 -2.840 24.060 -2.254 1.00 0.00 C ATOM 673 C HIS A 45 -2.361 24.385 -0.838 1.00 0.00 C ATOM 674 O HIS A 45 -1.303 23.944 -0.389 1.00 0.00 O ATOM 675 CB HIS A 45 -3.824 22.889 -2.293 1.00 0.00 C ATOM 676 CG HIS A 45 -4.725 22.804 -1.083 1.00 0.00 C ATOM 677 ND1 HIS A 45 -4.570 22.140 0.098 1.00 0.00 N flip ATOM 678 CD2 HIS A 45 -5.945 23.453 -1.010 1.00 0.00 C flip ATOM 679 CE1 HIS A 45 -5.638 22.371 0.852 1.00 0.00 C flip ATOM 680 NE2 HIS A 45 -6.492 23.184 0.167 1.00 0.00 N flip ATOM 0 H HIS A 45 -1.182 22.945 -2.885 1.00 0.00 H new ATOM 0 HA HIS A 45 -3.384 24.929 -2.624 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.441 22.976 -3.187 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.263 21.959 -2.382 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -6.378 24.073 -1.781 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -5.803 21.979 1.845 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -7.393 23.525 0.502 1.00 0.00 H new ATOM 688 N PHE A 46 -3.170 25.174 -0.138 1.00 0.00 N ATOM 689 CA PHE A 46 -2.854 25.576 1.227 1.00 0.00 C ATOM 690 C PHE A 46 -2.426 24.373 2.063 1.00 0.00 C ATOM 691 O PHE A 46 -2.588 23.226 1.647 1.00 0.00 O ATOM 692 CB PHE A 46 -4.062 26.257 1.874 1.00 0.00 C ATOM 693 CG PHE A 46 -3.698 27.175 3.005 1.00 0.00 C ATOM 694 CD1 PHE A 46 -2.865 28.262 2.793 1.00 0.00 C ATOM 695 CD2 PHE A 46 -4.189 26.951 4.282 1.00 0.00 C ATOM 696 CE1 PHE A 46 -2.527 29.107 3.833 1.00 0.00 C ATOM 697 CE2 PHE A 46 -3.855 27.794 5.325 1.00 0.00 C ATOM 698 CZ PHE A 46 -3.024 28.874 5.101 1.00 0.00 C ATOM 0 H PHE A 46 -4.050 25.548 -0.494 1.00 0.00 H new ATOM 0 HA PHE A 46 -2.025 26.283 1.188 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.599 26.825 1.114 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -4.746 25.492 2.243 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.475 28.451 1.804 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -4.840 26.108 4.464 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -1.875 29.949 3.655 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.244 27.608 6.315 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.763 29.535 5.915 1.00 0.00 H new ATOM 708 N ASP A 47 -1.880 24.645 3.243 1.00 0.00 N ATOM 709 CA ASP A 47 -1.429 23.586 4.139 1.00 0.00 C ATOM 710 C ASP A 47 -2.366 22.384 4.074 1.00 0.00 C ATOM 711 O ASP A 47 -3.482 22.425 4.591 1.00 0.00 O ATOM 712 CB ASP A 47 -1.344 24.105 5.575 1.00 0.00 C ATOM 713 CG ASP A 47 -0.341 23.334 6.411 1.00 0.00 C ATOM 714 OD1 ASP A 47 -0.663 22.203 6.829 1.00 0.00 O ATOM 715 OD2 ASP A 47 0.765 23.863 6.648 1.00 0.00 O ATOM 0 H ASP A 47 -1.739 25.589 3.602 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.437 23.269 3.817 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.067 25.159 5.561 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -2.327 24.040 6.041 1.00 0.00 H new ATOM 720 N GLY A 48 -1.905 21.313 3.435 1.00 0.00 N ATOM 721 CA GLY A 48 -2.715 20.115 3.313 1.00 0.00 C ATOM 722 C GLY A 48 -2.242 19.206 2.197 1.00 0.00 C ATOM 723 O GLY A 48 -2.611 19.393 1.037 1.00 0.00 O ATOM 0 H GLY A 48 -0.985 21.254 2.999 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.694 19.569 4.256 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.752 20.398 3.132 1.00 0.00 H new ATOM 727 N ILE A 49 -1.422 18.221 2.545 1.00 0.00 N ATOM 728 CA ILE A 49 -0.897 17.280 1.563 1.00 0.00 C ATOM 729 C ILE A 49 -1.935 16.221 1.207 1.00 0.00 C ATOM 730 O ILE A 49 -2.745 15.825 2.045 1.00 0.00 O ATOM 731 CB ILE A 49 0.377 16.583 2.075 1.00 0.00 C ATOM 732 CG1 ILE A 49 1.463 17.616 2.379 1.00 0.00 C ATOM 733 CG2 ILE A 49 0.872 15.569 1.055 1.00 0.00 C ATOM 734 CD1 ILE A 49 2.505 17.127 3.361 1.00 0.00 C ATOM 0 H ILE A 49 -1.106 18.053 3.500 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.651 17.858 0.672 1.00 0.00 H new ATOM 0 HB ILE A 49 0.138 16.054 2.997 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.956 17.897 1.449 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.995 18.517 2.777 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.773 15.085 1.431 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.101 14.818 0.885 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.098 16.077 0.117 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.243 17.911 3.529 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.024 16.873 4.306 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.000 16.244 2.957 1.00 0.00 H new ATOM 746 N MET A 50 -1.904 15.765 -0.041 1.00 0.00 N ATOM 747 CA MET A 50 -2.840 14.749 -0.507 1.00 0.00 C ATOM 748 C MET A 50 -2.125 13.426 -0.761 1.00 0.00 C ATOM 749 O MET A 50 -1.484 13.228 -1.794 1.00 0.00 O ATOM 750 CB MET A 50 -3.541 15.217 -1.784 1.00 0.00 C ATOM 751 CG MET A 50 -4.892 14.560 -2.011 1.00 0.00 C ATOM 752 SD MET A 50 -5.842 15.360 -3.318 1.00 0.00 S ATOM 753 CE MET A 50 -7.304 15.864 -2.414 1.00 0.00 C ATOM 0 H MET A 50 -1.241 16.083 -0.748 1.00 0.00 H new ATOM 0 HA MET A 50 -3.586 14.594 0.272 1.00 0.00 H new ATOM 0 HB2 MET A 50 -3.675 16.298 -1.740 1.00 0.00 H new ATOM 0 HB3 MET A 50 -2.897 15.010 -2.639 1.00 0.00 H new ATOM 0 HG2 MET A 50 -4.743 13.511 -2.266 1.00 0.00 H new ATOM 0 HG3 MET A 50 -5.464 14.585 -1.084 1.00 0.00 H new ATOM 0 HE1 MET A 50 -7.991 16.375 -3.089 1.00 0.00 H new ATOM 0 HE2 MET A 50 -7.794 14.985 -1.995 1.00 0.00 H new ATOM 0 HE3 MET A 50 -7.018 16.539 -1.607 1.00 0.00 H new ATOM 763 N PRO A 51 -2.234 12.498 0.201 1.00 0.00 N ATOM 764 CA PRO A 51 -1.605 11.178 0.103 1.00 0.00 C ATOM 765 C PRO A 51 -2.262 10.299 -0.956 1.00 0.00 C ATOM 766 O PRO A 51 -3.352 9.769 -0.746 1.00 0.00 O ATOM 767 CB PRO A 51 -1.813 10.581 1.497 1.00 0.00 C ATOM 768 CG PRO A 51 -3.018 11.275 2.030 1.00 0.00 C ATOM 769 CD PRO A 51 -2.983 12.666 1.458 1.00 0.00 C ATOM 0 HA PRO A 51 -0.559 11.247 -0.195 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -1.967 9.503 1.447 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -0.945 10.750 2.134 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.930 10.755 1.736 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -3.003 11.301 3.120 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -3.986 13.053 1.280 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -2.487 13.365 2.131 1.00 0.00 H new ATOM 777 N MET A 52 -1.590 10.148 -2.093 1.00 0.00 N ATOM 778 CA MET A 52 -2.109 9.332 -3.184 1.00 0.00 C ATOM 779 C MET A 52 -2.104 7.854 -2.807 1.00 0.00 C ATOM 780 O MET A 52 -1.081 7.178 -2.923 1.00 0.00 O ATOM 781 CB MET A 52 -1.281 9.550 -4.451 1.00 0.00 C ATOM 782 CG MET A 52 -1.386 10.959 -5.012 1.00 0.00 C ATOM 783 SD MET A 52 -2.735 11.136 -6.195 1.00 0.00 S ATOM 784 CE MET A 52 -3.203 12.843 -5.921 1.00 0.00 C ATOM 0 H MET A 52 -0.686 10.580 -2.282 1.00 0.00 H new ATOM 0 HA MET A 52 -3.138 9.637 -3.375 1.00 0.00 H new ATOM 0 HB2 MET A 52 -0.235 9.331 -4.234 1.00 0.00 H new ATOM 0 HB3 MET A 52 -1.604 8.840 -5.212 1.00 0.00 H new ATOM 0 HG2 MET A 52 -1.532 11.662 -4.192 1.00 0.00 H new ATOM 0 HG3 MET A 52 -0.446 11.224 -5.496 1.00 0.00 H new ATOM 0 HE1 MET A 52 -4.029 13.104 -6.582 1.00 0.00 H new ATOM 0 HE2 MET A 52 -3.513 12.973 -4.884 1.00 0.00 H new ATOM 0 HE3 MET A 52 -2.352 13.492 -6.130 1.00 0.00 H new ATOM 794 N TRP A 53 -3.251 7.359 -2.355 1.00 0.00 N ATOM 795 CA TRP A 53 -3.377 5.961 -1.960 1.00 0.00 C ATOM 796 C TRP A 53 -3.440 5.053 -3.184 1.00 0.00 C ATOM 797 O TRP A 53 -4.267 5.251 -4.073 1.00 0.00 O ATOM 798 CB TRP A 53 -4.625 5.763 -1.099 1.00 0.00 C ATOM 799 CG TRP A 53 -4.523 6.406 0.251 1.00 0.00 C ATOM 800 CD1 TRP A 53 -5.389 7.311 0.795 1.00 0.00 C ATOM 801 CD2 TRP A 53 -3.497 6.193 1.226 1.00 0.00 C ATOM 802 NE1 TRP A 53 -4.962 7.675 2.050 1.00 0.00 N ATOM 803 CE2 TRP A 53 -3.804 7.002 2.338 1.00 0.00 C ATOM 804 CE3 TRP A 53 -2.349 5.397 1.269 1.00 0.00 C ATOM 805 CZ2 TRP A 53 -3.004 7.036 3.477 1.00 0.00 C ATOM 806 CZ3 TRP A 53 -1.556 5.433 2.400 1.00 0.00 C ATOM 807 CH2 TRP A 53 -1.886 6.247 3.492 1.00 0.00 C ATOM 0 H TRP A 53 -4.107 7.905 -2.253 1.00 0.00 H new ATOM 0 HA TRP A 53 -2.496 5.694 -1.377 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -5.488 6.172 -1.624 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -4.805 4.695 -0.972 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -6.279 7.686 0.311 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -5.431 8.338 2.667 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -2.086 4.765 0.433 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -3.257 7.663 4.319 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -0.666 4.823 2.443 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -1.246 6.252 4.362 1.00 0.00 H new ATOM 818 N ASN A 54 -2.560 4.057 -3.223 1.00 0.00 N ATOM 819 CA ASN A 54 -2.516 3.120 -4.339 1.00 0.00 C ATOM 820 C ASN A 54 -2.023 1.751 -3.880 1.00 0.00 C ATOM 821 O ASN A 54 -1.016 1.677 -3.178 1.00 0.00 O ATOM 822 CB ASN A 54 -1.608 3.656 -5.448 1.00 0.00 C ATOM 823 CG ASN A 54 -1.913 5.100 -5.796 1.00 0.00 C ATOM 824 OD1 ASN A 54 -2.919 5.396 -6.441 1.00 0.00 O ATOM 825 ND2 ASN A 54 -1.042 6.008 -5.370 1.00 0.00 N ATOM 0 H ASN A 54 -1.868 3.879 -2.495 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.528 3.011 -4.729 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -0.567 3.573 -5.134 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.723 3.038 -6.339 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.194 6.996 -5.575 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.221 5.718 -4.838 1.00 0.00 H new ATOM 832 N HIS A 55 -2.735 0.708 -4.283 1.00 0.00 N ATOM 833 CA HIS A 55 -2.359 -0.644 -3.907 1.00 0.00 C ATOM 834 C HIS A 55 -0.852 -0.828 -4.092 1.00 0.00 C ATOM 835 O HIS A 55 -0.254 -0.373 -5.066 1.00 0.00 O ATOM 836 CB HIS A 55 -3.182 -1.673 -4.686 1.00 0.00 C ATOM 837 CG HIS A 55 -4.668 -1.592 -4.430 1.00 0.00 C ATOM 838 ND1 HIS A 55 -5.554 -1.025 -5.330 1.00 0.00 N ATOM 839 CD2 HIS A 55 -5.414 -2.012 -3.368 1.00 0.00 C ATOM 840 CE1 HIS A 55 -6.775 -1.105 -4.821 1.00 0.00 C ATOM 841 NE2 HIS A 55 -6.686 -1.717 -3.606 1.00 0.00 N ATOM 0 H HIS A 55 -3.570 0.772 -4.866 1.00 0.00 H new ATOM 0 HA HIS A 55 -2.583 -0.808 -2.853 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -2.999 -1.537 -5.752 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.833 -2.673 -4.428 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -5.034 -2.502 -2.483 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -7.682 -0.748 -5.287 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -7.468 -1.916 -2.982 1.00 0.00 H new ATOM 849 N ALA A 56 -0.247 -1.512 -3.126 1.00 0.00 N ATOM 850 CA ALA A 56 1.187 -1.773 -3.158 1.00 0.00 C ATOM 851 C ALA A 56 1.577 -2.541 -4.417 1.00 0.00 C ATOM 852 O ALA A 56 2.748 -2.579 -4.794 1.00 0.00 O ATOM 853 CB ALA A 56 1.611 -2.543 -1.916 1.00 0.00 C ATOM 0 H ALA A 56 -0.728 -1.895 -2.312 1.00 0.00 H new ATOM 0 HA ALA A 56 1.706 -0.814 -3.173 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.684 -2.731 -1.953 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.376 -1.958 -1.027 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.077 -3.493 -1.877 1.00 0.00 H new ATOM 859 N SER A 57 0.588 -3.151 -5.062 1.00 0.00 N ATOM 860 CA SER A 57 0.829 -3.922 -6.276 1.00 0.00 C ATOM 861 C SER A 57 0.563 -3.077 -7.518 1.00 0.00 C ATOM 862 O SER A 57 1.052 -3.380 -8.607 1.00 0.00 O ATOM 863 CB SER A 57 -0.054 -5.171 -6.297 1.00 0.00 C ATOM 864 OG SER A 57 0.124 -5.902 -7.498 1.00 0.00 O ATOM 0 H SER A 57 -0.387 -3.126 -4.764 1.00 0.00 H new ATOM 0 HA SER A 57 1.876 -4.226 -6.281 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.186 -5.804 -5.443 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.100 -4.882 -6.195 1.00 0.00 H new ATOM 0 HG SER A 57 -0.450 -6.696 -7.486 1.00 0.00 H new ATOM 870 N CYS A 58 -0.215 -2.013 -7.347 1.00 0.00 N ATOM 871 CA CYS A 58 -0.548 -1.123 -8.452 1.00 0.00 C ATOM 872 C CYS A 58 0.617 -0.190 -8.769 1.00 0.00 C ATOM 873 O CYS A 58 0.774 0.259 -9.905 1.00 0.00 O ATOM 874 CB CYS A 58 -1.795 -0.302 -8.115 1.00 0.00 C ATOM 875 SG CYS A 58 -3.360 -1.215 -8.305 1.00 0.00 S ATOM 0 H CYS A 58 -0.627 -1.746 -6.453 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.750 -1.736 -9.331 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -1.716 0.053 -7.087 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -1.821 0.579 -8.756 1.00 0.00 H new ATOM 880 N ILE A 59 1.431 0.095 -7.759 1.00 0.00 N ATOM 881 CA ILE A 59 2.583 0.973 -7.930 1.00 0.00 C ATOM 882 C ILE A 59 3.809 0.187 -8.383 1.00 0.00 C ATOM 883 O ILE A 59 4.438 0.522 -9.387 1.00 0.00 O ATOM 884 CB ILE A 59 2.918 1.722 -6.628 1.00 0.00 C ATOM 885 CG1 ILE A 59 1.713 2.540 -6.159 1.00 0.00 C ATOM 886 CG2 ILE A 59 4.129 2.621 -6.831 1.00 0.00 C ATOM 887 CD1 ILE A 59 1.412 3.732 -7.039 1.00 0.00 C ATOM 0 H ILE A 59 1.315 -0.269 -6.813 1.00 0.00 H new ATOM 0 HA ILE A 59 2.316 1.700 -8.698 1.00 0.00 H new ATOM 0 HB ILE A 59 3.158 0.990 -5.857 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.836 1.893 -6.125 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.893 2.886 -5.141 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.354 3.144 -5.902 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.987 2.015 -7.123 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.915 3.348 -7.614 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.546 4.265 -6.646 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.273 4.400 -7.054 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.200 3.392 -8.052 1.00 0.00 H new ATOM 899 N LEU A 60 4.143 -0.859 -7.636 1.00 0.00 N ATOM 900 CA LEU A 60 5.294 -1.695 -7.961 1.00 0.00 C ATOM 901 C LEU A 60 5.253 -2.134 -9.421 1.00 0.00 C ATOM 902 O LEU A 60 6.285 -2.200 -10.090 1.00 0.00 O ATOM 903 CB LEU A 60 5.332 -2.922 -7.048 1.00 0.00 C ATOM 904 CG LEU A 60 5.567 -2.647 -5.562 1.00 0.00 C ATOM 905 CD1 LEU A 60 5.402 -3.922 -4.750 1.00 0.00 C ATOM 906 CD2 LEU A 60 6.949 -2.048 -5.343 1.00 0.00 C ATOM 0 H LEU A 60 3.634 -1.149 -6.801 1.00 0.00 H new ATOM 0 HA LEU A 60 6.197 -1.105 -7.804 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.388 -3.457 -7.153 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.118 -3.589 -7.402 1.00 0.00 H new ATOM 0 HG LEU A 60 4.822 -1.927 -5.223 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.573 -3.706 -3.695 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.392 -4.309 -4.882 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.123 -4.666 -5.090 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.099 -1.859 -4.280 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.708 -2.745 -5.698 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.031 -1.111 -5.894 1.00 0.00 H new ATOM 918 N LYS A 61 4.054 -2.432 -9.911 1.00 0.00 N ATOM 919 CA LYS A 61 3.877 -2.861 -11.293 1.00 0.00 C ATOM 920 C LYS A 61 4.361 -1.788 -12.262 1.00 0.00 C ATOM 921 O LYS A 61 4.755 -2.086 -13.390 1.00 0.00 O ATOM 922 CB LYS A 61 2.406 -3.182 -11.564 1.00 0.00 C ATOM 923 CG LYS A 61 1.500 -1.964 -11.527 1.00 0.00 C ATOM 924 CD LYS A 61 0.308 -2.126 -12.455 1.00 0.00 C ATOM 925 CE LYS A 61 -0.729 -1.037 -12.226 1.00 0.00 C ATOM 926 NZ LYS A 61 -1.593 -0.834 -13.422 1.00 0.00 N ATOM 0 H LYS A 61 3.190 -2.384 -9.371 1.00 0.00 H new ATOM 0 HA LYS A 61 4.473 -3.760 -11.447 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.321 -3.658 -12.541 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.059 -3.905 -10.826 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.149 -1.802 -10.508 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.068 -1.079 -11.814 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.646 -2.096 -13.491 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.148 -3.103 -12.296 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.350 -1.301 -11.370 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.226 -0.102 -11.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.388 -0.211 -13.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.035 -0.397 -14.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.960 -1.752 -13.745 1.00 0.00 H new ATOM 940 N LYS A 62 4.330 -0.536 -11.816 1.00 0.00 N ATOM 941 CA LYS A 62 4.768 0.582 -12.643 1.00 0.00 C ATOM 942 C LYS A 62 6.283 0.748 -12.575 1.00 0.00 C ATOM 943 O LYS A 62 6.979 -0.055 -11.953 1.00 0.00 O ATOM 944 CB LYS A 62 4.082 1.874 -12.193 1.00 0.00 C ATOM 945 CG LYS A 62 2.567 1.823 -12.285 1.00 0.00 C ATOM 946 CD LYS A 62 1.944 3.177 -11.991 1.00 0.00 C ATOM 947 CE LYS A 62 1.888 3.452 -10.496 1.00 0.00 C ATOM 948 NZ LYS A 62 1.628 4.889 -10.206 1.00 0.00 N ATOM 0 H LYS A 62 4.006 -0.271 -10.886 1.00 0.00 H new ATOM 0 HA LYS A 62 4.489 0.370 -13.675 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.368 2.087 -11.163 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.447 2.700 -12.803 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.273 1.495 -13.282 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.184 1.085 -11.581 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.521 3.959 -12.485 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.937 3.213 -12.407 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.105 2.843 -10.044 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.830 3.153 -10.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.017 5.131 -9.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.082 5.478 -10.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.603 5.064 -10.210 1.00 0.00 H new ATOM 962 N THR A 63 6.788 1.796 -13.219 1.00 0.00 N ATOM 963 CA THR A 63 8.220 2.067 -13.232 1.00 0.00 C ATOM 964 C THR A 63 8.508 3.518 -12.865 1.00 0.00 C ATOM 965 O THR A 63 7.632 4.378 -12.955 1.00 0.00 O ATOM 966 CB THR A 63 8.836 1.766 -14.612 1.00 0.00 C ATOM 967 OG1 THR A 63 8.299 0.545 -15.132 1.00 0.00 O ATOM 968 CG2 THR A 63 10.351 1.660 -14.516 1.00 0.00 C ATOM 0 H THR A 63 6.226 2.471 -13.738 1.00 0.00 H new ATOM 0 HA THR A 63 8.673 1.411 -12.489 1.00 0.00 H new ATOM 0 HB THR A 63 8.587 2.587 -15.284 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.694 0.362 -16.010 1.00 0.00 H new ATOM 0 HG21 THR A 63 10.764 1.447 -15.502 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.759 2.601 -14.147 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.617 0.856 -13.830 1.00 0.00 H new ATOM 976 N LYS A 64 9.742 3.785 -12.451 1.00 0.00 N ATOM 977 CA LYS A 64 10.148 5.133 -12.072 1.00 0.00 C ATOM 978 C LYS A 64 9.244 5.685 -10.974 1.00 0.00 C ATOM 979 O LYS A 64 8.759 6.812 -11.066 1.00 0.00 O ATOM 980 CB LYS A 64 10.113 6.060 -13.290 1.00 0.00 C ATOM 981 CG LYS A 64 11.082 5.657 -14.388 1.00 0.00 C ATOM 982 CD LYS A 64 11.532 6.859 -15.202 1.00 0.00 C ATOM 983 CE LYS A 64 11.948 6.455 -16.608 1.00 0.00 C ATOM 984 NZ LYS A 64 13.283 5.794 -16.623 1.00 0.00 N ATOM 0 H LYS A 64 10.479 3.085 -12.369 1.00 0.00 H new ATOM 0 HA LYS A 64 11.167 5.084 -11.689 1.00 0.00 H new ATOM 0 HB2 LYS A 64 9.102 6.074 -13.696 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.342 7.076 -12.970 1.00 0.00 H new ATOM 0 HG2 LYS A 64 11.951 5.169 -13.947 1.00 0.00 H new ATOM 0 HG3 LYS A 64 10.607 4.929 -15.045 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.723 7.587 -15.256 1.00 0.00 H new ATOM 0 HD3 LYS A 64 12.367 7.348 -14.700 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.203 5.779 -17.027 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.972 7.338 -17.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.531 5.534 -17.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.999 6.448 -16.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.253 4.938 -16.034 1.00 0.00 H new ATOM 998 N GLN A 65 9.023 4.883 -9.937 1.00 0.00 N ATOM 999 CA GLN A 65 8.178 5.293 -8.822 1.00 0.00 C ATOM 1000 C GLN A 65 9.008 5.515 -7.562 1.00 0.00 C ATOM 1001 O GLN A 65 8.933 6.573 -6.937 1.00 0.00 O ATOM 1002 CB GLN A 65 7.101 4.240 -8.557 1.00 0.00 C ATOM 1003 CG GLN A 65 6.296 3.868 -9.793 1.00 0.00 C ATOM 1004 CD GLN A 65 5.367 4.979 -10.240 1.00 0.00 C ATOM 1005 OE1 GLN A 65 4.921 5.794 -9.432 1.00 0.00 O ATOM 1006 NE2 GLN A 65 5.069 5.017 -11.533 1.00 0.00 N ATOM 0 H GLN A 65 9.417 3.947 -9.846 1.00 0.00 H new ATOM 0 HA GLN A 65 7.699 6.235 -9.090 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.573 3.342 -8.157 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.422 4.612 -7.790 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.979 3.621 -10.606 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.711 2.972 -9.585 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.461 4.321 -12.167 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.448 5.742 -11.892 1.00 0.00 H new ATOM 1015 N ILE A 66 9.799 4.512 -7.196 1.00 0.00 N ATOM 1016 CA ILE A 66 10.644 4.600 -6.012 1.00 0.00 C ATOM 1017 C ILE A 66 12.114 4.407 -6.370 1.00 0.00 C ATOM 1018 O ILE A 66 12.450 3.639 -7.272 1.00 0.00 O ATOM 1019 CB ILE A 66 10.243 3.553 -4.956 1.00 0.00 C ATOM 1020 CG1 ILE A 66 8.723 3.524 -4.786 1.00 0.00 C ATOM 1021 CG2 ILE A 66 10.924 3.851 -3.629 1.00 0.00 C ATOM 1022 CD1 ILE A 66 8.224 2.324 -4.012 1.00 0.00 C ATOM 0 H ILE A 66 9.872 3.630 -7.702 1.00 0.00 H new ATOM 0 HA ILE A 66 10.502 5.597 -5.596 1.00 0.00 H new ATOM 0 HB ILE A 66 10.570 2.571 -5.297 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.405 4.433 -4.275 1.00 0.00 H new ATOM 0 HG13 ILE A 66 8.255 3.531 -5.771 1.00 0.00 H new ATOM 0 HG21 ILE A 66 10.630 3.102 -2.893 1.00 0.00 H new ATOM 0 HG22 ILE A 66 12.006 3.825 -3.761 1.00 0.00 H new ATOM 0 HG23 ILE A 66 10.625 4.839 -3.280 1.00 0.00 H new ATOM 0 HD11 ILE A 66 7.138 2.370 -3.930 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.511 1.410 -4.533 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.663 2.326 -3.014 1.00 0.00 H new ATOM 1034 N LYS A 67 12.988 5.108 -5.656 1.00 0.00 N ATOM 1035 CA LYS A 67 14.423 5.014 -5.894 1.00 0.00 C ATOM 1036 C LYS A 67 15.066 4.001 -4.952 1.00 0.00 C ATOM 1037 O LYS A 67 15.901 3.197 -5.365 1.00 0.00 O ATOM 1038 CB LYS A 67 15.082 6.383 -5.715 1.00 0.00 C ATOM 1039 CG LYS A 67 14.477 7.207 -4.592 1.00 0.00 C ATOM 1040 CD LYS A 67 15.486 8.183 -4.009 1.00 0.00 C ATOM 1041 CE LYS A 67 15.418 9.535 -4.702 1.00 0.00 C ATOM 1042 NZ LYS A 67 16.055 9.502 -6.047 1.00 0.00 N ATOM 0 H LYS A 67 12.727 5.749 -4.906 1.00 0.00 H new ATOM 0 HA LYS A 67 14.574 4.677 -6.919 1.00 0.00 H new ATOM 0 HB2 LYS A 67 16.145 6.242 -5.519 1.00 0.00 H new ATOM 0 HB3 LYS A 67 15.001 6.941 -6.648 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.613 7.756 -4.967 1.00 0.00 H new ATOM 0 HG3 LYS A 67 14.116 6.543 -3.806 1.00 0.00 H new ATOM 0 HD2 LYS A 67 15.297 8.309 -2.943 1.00 0.00 H new ATOM 0 HD3 LYS A 67 16.491 7.772 -4.108 1.00 0.00 H new ATOM 0 HE2 LYS A 67 14.376 9.840 -4.801 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.912 10.285 -4.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 16.279 10.472 -6.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 16.930 8.942 -6.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 15.401 9.069 -6.730 1.00 0.00 H new ATOM 1056 N SER A 68 14.670 4.045 -3.684 1.00 0.00 N ATOM 1057 CA SER A 68 15.209 3.133 -2.682 1.00 0.00 C ATOM 1058 C SER A 68 14.222 2.940 -1.535 1.00 0.00 C ATOM 1059 O SER A 68 13.462 3.847 -1.195 1.00 0.00 O ATOM 1060 CB SER A 68 16.538 3.663 -2.142 1.00 0.00 C ATOM 1061 OG SER A 68 17.042 2.826 -1.115 1.00 0.00 O ATOM 0 H SER A 68 13.977 4.703 -3.326 1.00 0.00 H new ATOM 0 HA SER A 68 15.378 2.168 -3.159 1.00 0.00 H new ATOM 0 HB2 SER A 68 17.264 3.727 -2.953 1.00 0.00 H new ATOM 0 HB3 SER A 68 16.401 4.674 -1.757 1.00 0.00 H new ATOM 0 HG SER A 68 17.893 3.186 -0.788 1.00 0.00 H new ATOM 1067 N VAL A 69 14.239 1.751 -0.942 1.00 0.00 N ATOM 1068 CA VAL A 69 13.346 1.437 0.168 1.00 0.00 C ATOM 1069 C VAL A 69 13.462 2.477 1.277 1.00 0.00 C ATOM 1070 O VAL A 69 12.532 2.670 2.060 1.00 0.00 O ATOM 1071 CB VAL A 69 13.645 0.044 0.752 1.00 0.00 C ATOM 1072 CG1 VAL A 69 13.222 -1.046 -0.221 1.00 0.00 C ATOM 1073 CG2 VAL A 69 15.121 -0.083 1.098 1.00 0.00 C ATOM 0 H VAL A 69 14.861 0.989 -1.211 1.00 0.00 H new ATOM 0 HA VAL A 69 12.331 1.445 -0.230 1.00 0.00 H new ATOM 0 HB VAL A 69 13.068 -0.077 1.669 1.00 0.00 H new ATOM 0 HG11 VAL A 69 13.441 -2.023 0.209 1.00 0.00 H new ATOM 0 HG12 VAL A 69 12.152 -0.966 -0.414 1.00 0.00 H new ATOM 0 HG13 VAL A 69 13.769 -0.931 -1.157 1.00 0.00 H new ATOM 0 HG21 VAL A 69 15.314 -1.074 1.509 1.00 0.00 H new ATOM 0 HG22 VAL A 69 15.719 0.059 0.198 1.00 0.00 H new ATOM 0 HG23 VAL A 69 15.388 0.674 1.835 1.00 0.00 H new ATOM 1083 N ASP A 70 14.610 3.144 1.338 1.00 0.00 N ATOM 1084 CA ASP A 70 14.848 4.166 2.350 1.00 0.00 C ATOM 1085 C ASP A 70 13.866 5.323 2.195 1.00 0.00 C ATOM 1086 O ASP A 70 13.525 5.995 3.169 1.00 0.00 O ATOM 1087 CB ASP A 70 16.284 4.683 2.256 1.00 0.00 C ATOM 1088 CG ASP A 70 16.629 5.642 3.378 1.00 0.00 C ATOM 1089 OD1 ASP A 70 16.051 6.748 3.413 1.00 0.00 O ATOM 1090 OD2 ASP A 70 17.477 5.285 4.223 1.00 0.00 O ATOM 0 H ASP A 70 15.390 2.995 0.698 1.00 0.00 H new ATOM 0 HA ASP A 70 14.697 3.714 3.330 1.00 0.00 H new ATOM 0 HB2 ASP A 70 16.973 3.839 2.279 1.00 0.00 H new ATOM 0 HB3 ASP A 70 16.425 5.184 1.298 1.00 0.00 H new ATOM 1095 N ASP A 71 13.415 5.550 0.966 1.00 0.00 N ATOM 1096 CA ASP A 71 12.473 6.625 0.684 1.00 0.00 C ATOM 1097 C ASP A 71 11.072 6.261 1.166 1.00 0.00 C ATOM 1098 O ASP A 71 10.236 7.135 1.394 1.00 0.00 O ATOM 1099 CB ASP A 71 12.447 6.929 -0.815 1.00 0.00 C ATOM 1100 CG ASP A 71 13.449 7.997 -1.207 1.00 0.00 C ATOM 1101 OD1 ASP A 71 14.453 8.164 -0.482 1.00 0.00 O ATOM 1102 OD2 ASP A 71 13.231 8.665 -2.239 1.00 0.00 O ATOM 0 H ASP A 71 13.687 5.003 0.149 1.00 0.00 H new ATOM 0 HA ASP A 71 12.803 7.514 1.222 1.00 0.00 H new ATOM 0 HB2 ASP A 71 12.657 6.016 -1.372 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.446 7.252 -1.100 1.00 0.00 H new ATOM 1107 N VAL A 72 10.822 4.964 1.317 1.00 0.00 N ATOM 1108 CA VAL A 72 9.523 4.484 1.772 1.00 0.00 C ATOM 1109 C VAL A 72 9.432 4.502 3.294 1.00 0.00 C ATOM 1110 O VAL A 72 10.230 3.863 3.980 1.00 0.00 O ATOM 1111 CB VAL A 72 9.245 3.055 1.269 1.00 0.00 C ATOM 1112 CG1 VAL A 72 7.863 2.594 1.705 1.00 0.00 C ATOM 1113 CG2 VAL A 72 9.386 2.987 -0.244 1.00 0.00 C ATOM 0 H VAL A 72 11.502 4.227 1.131 1.00 0.00 H new ATOM 0 HA VAL A 72 8.774 5.159 1.358 1.00 0.00 H new ATOM 0 HB VAL A 72 9.981 2.383 1.711 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.685 1.582 1.340 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.803 2.603 2.793 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.109 3.266 1.294 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.186 1.970 -0.583 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.674 3.670 -0.707 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.399 3.272 -0.528 1.00 0.00 H new ATOM 1123 N GLU A 73 8.455 5.237 3.815 1.00 0.00 N ATOM 1124 CA GLU A 73 8.260 5.337 5.256 1.00 0.00 C ATOM 1125 C GLU A 73 7.392 4.192 5.769 1.00 0.00 C ATOM 1126 O GLU A 73 6.685 3.543 5.001 1.00 0.00 O ATOM 1127 CB GLU A 73 7.619 6.679 5.614 1.00 0.00 C ATOM 1128 CG GLU A 73 7.606 6.969 7.106 1.00 0.00 C ATOM 1129 CD GLU A 73 7.422 8.443 7.412 1.00 0.00 C ATOM 1130 OE1 GLU A 73 7.870 9.278 6.598 1.00 0.00 O ATOM 1131 OE2 GLU A 73 6.832 8.762 8.465 1.00 0.00 O ATOM 0 H GLU A 73 7.786 5.772 3.261 1.00 0.00 H new ATOM 0 HA GLU A 73 9.237 5.270 5.735 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.157 7.477 5.102 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.595 6.694 5.241 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.803 6.401 7.576 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.541 6.624 7.548 1.00 0.00 H new ATOM 1138 N GLY A 74 7.451 3.951 7.076 1.00 0.00 N ATOM 1139 CA GLY A 74 6.666 2.885 7.670 1.00 0.00 C ATOM 1140 C GLY A 74 6.818 1.572 6.929 1.00 0.00 C ATOM 1141 O GLY A 74 5.980 0.678 7.058 1.00 0.00 O ATOM 0 H GLY A 74 8.028 4.475 7.733 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.969 2.750 8.708 1.00 0.00 H new ATOM 0 HA3 GLY A 74 5.615 3.174 7.680 1.00 0.00 H new ATOM 1145 N ILE A 75 7.888 1.454 6.150 1.00 0.00 N ATOM 1146 CA ILE A 75 8.146 0.240 5.385 1.00 0.00 C ATOM 1147 C ILE A 75 8.686 -0.870 6.281 1.00 0.00 C ATOM 1148 O ILE A 75 8.585 -2.051 5.951 1.00 0.00 O ATOM 1149 CB ILE A 75 9.146 0.496 4.243 1.00 0.00 C ATOM 1150 CG1 ILE A 75 9.186 -0.702 3.292 1.00 0.00 C ATOM 1151 CG2 ILE A 75 10.532 0.778 4.806 1.00 0.00 C ATOM 1152 CD1 ILE A 75 10.005 -0.457 2.044 1.00 0.00 C ATOM 0 H ILE A 75 8.590 2.184 6.032 1.00 0.00 H new ATOM 0 HA ILE A 75 7.193 -0.073 4.958 1.00 0.00 H new ATOM 0 HB ILE A 75 8.817 1.371 3.682 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.595 -1.562 3.822 1.00 0.00 H new ATOM 0 HG13 ILE A 75 8.167 -0.960 3.003 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.228 0.957 3.987 1.00 0.00 H new ATOM 0 HG22 ILE A 75 10.492 1.659 5.447 1.00 0.00 H new ATOM 0 HG23 ILE A 75 10.870 -0.079 5.388 1.00 0.00 H new ATOM 0 HD11 ILE A 75 9.988 -1.349 1.417 1.00 0.00 H new ATOM 0 HD12 ILE A 75 9.584 0.383 1.492 1.00 0.00 H new ATOM 0 HD13 ILE A 75 11.034 -0.229 2.323 1.00 0.00 H new ATOM 1164 N GLU A 76 9.260 -0.481 7.415 1.00 0.00 N ATOM 1165 CA GLU A 76 9.815 -1.443 8.359 1.00 0.00 C ATOM 1166 C GLU A 76 8.706 -2.146 9.136 1.00 0.00 C ATOM 1167 O GLU A 76 8.929 -3.189 9.751 1.00 0.00 O ATOM 1168 CB GLU A 76 10.771 -0.746 9.330 1.00 0.00 C ATOM 1169 CG GLU A 76 10.156 0.450 10.036 1.00 0.00 C ATOM 1170 CD GLU A 76 10.786 0.717 11.388 1.00 0.00 C ATOM 1171 OE1 GLU A 76 12.026 0.854 11.449 1.00 0.00 O ATOM 1172 OE2 GLU A 76 10.039 0.790 12.387 1.00 0.00 O ATOM 0 H GLU A 76 9.353 0.493 7.702 1.00 0.00 H new ATOM 0 HA GLU A 76 10.368 -2.192 7.792 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.105 -1.466 10.077 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.656 -0.419 8.784 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.266 1.334 9.408 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.087 0.281 10.165 1.00 0.00 H new ATOM 1179 N SER A 77 7.511 -1.566 9.105 1.00 0.00 N ATOM 1180 CA SER A 77 6.367 -2.133 9.809 1.00 0.00 C ATOM 1181 C SER A 77 5.642 -3.153 8.937 1.00 0.00 C ATOM 1182 O SER A 77 4.848 -3.956 9.429 1.00 0.00 O ATOM 1183 CB SER A 77 5.399 -1.025 10.229 1.00 0.00 C ATOM 1184 OG SER A 77 4.187 -1.567 10.723 1.00 0.00 O ATOM 0 H SER A 77 7.310 -0.703 8.600 1.00 0.00 H new ATOM 0 HA SER A 77 6.736 -2.641 10.700 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.863 -0.404 10.996 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.191 -0.377 9.377 1.00 0.00 H new ATOM 0 HG SER A 77 3.586 -0.839 10.986 1.00 0.00 H new ATOM 1190 N LEU A 78 5.921 -3.116 7.639 1.00 0.00 N ATOM 1191 CA LEU A 78 5.297 -4.037 6.695 1.00 0.00 C ATOM 1192 C LEU A 78 5.858 -5.446 6.857 1.00 0.00 C ATOM 1193 O LEU A 78 6.980 -5.627 7.331 1.00 0.00 O ATOM 1194 CB LEU A 78 5.512 -3.552 5.260 1.00 0.00 C ATOM 1195 CG LEU A 78 5.167 -2.087 4.988 1.00 0.00 C ATOM 1196 CD1 LEU A 78 5.396 -1.749 3.523 1.00 0.00 C ATOM 1197 CD2 LEU A 78 3.728 -1.795 5.386 1.00 0.00 C ATOM 0 H LEU A 78 6.575 -2.458 7.216 1.00 0.00 H new ATOM 0 HA LEU A 78 4.228 -4.065 6.906 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.557 -3.713 4.996 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.915 -4.175 4.594 1.00 0.00 H new ATOM 0 HG LEU A 78 5.824 -1.460 5.592 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.145 -0.703 3.348 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.442 -1.919 3.270 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.764 -2.383 2.900 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.500 -0.748 5.185 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.055 -2.430 4.809 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.596 -1.998 6.449 1.00 0.00 H new ATOM 1209 N ARG A 79 5.071 -6.440 6.459 1.00 0.00 N ATOM 1210 CA ARG A 79 5.490 -7.833 6.559 1.00 0.00 C ATOM 1211 C ARG A 79 6.694 -8.105 5.661 1.00 0.00 C ATOM 1212 O ARG A 79 6.817 -7.529 4.580 1.00 0.00 O ATOM 1213 CB ARG A 79 4.336 -8.763 6.179 1.00 0.00 C ATOM 1214 CG ARG A 79 3.353 -9.008 7.312 1.00 0.00 C ATOM 1215 CD ARG A 79 4.022 -9.696 8.491 1.00 0.00 C ATOM 1216 NE ARG A 79 3.086 -10.528 9.242 1.00 0.00 N ATOM 1217 CZ ARG A 79 3.426 -11.230 10.317 1.00 0.00 C ATOM 1218 NH1 ARG A 79 4.674 -11.201 10.765 1.00 0.00 N ATOM 1219 NH2 ARG A 79 2.518 -11.964 10.947 1.00 0.00 N ATOM 0 H ARG A 79 4.140 -6.307 6.064 1.00 0.00 H new ATOM 0 HA ARG A 79 5.779 -8.026 7.592 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.801 -8.336 5.331 1.00 0.00 H new ATOM 0 HB3 ARG A 79 4.744 -9.719 5.850 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.927 -8.059 7.637 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.527 -9.621 6.952 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.846 -10.312 8.131 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.451 -8.944 9.154 1.00 0.00 H new ATOM 0 HE ARG A 79 2.118 -10.572 8.924 1.00 0.00 H new ATOM 0 HH11 ARG A 79 5.376 -10.638 10.284 1.00 0.00 H new ATOM 0 HH12 ARG A 79 4.932 -11.741 11.591 1.00 0.00 H new ATOM 0 HH21 ARG A 79 1.557 -11.990 10.606 1.00 0.00 H new ATOM 0 HH22 ARG A 79 2.781 -12.503 11.772 1.00 0.00 H new ATOM 1233 N TRP A 80 7.578 -8.984 6.117 1.00 0.00 N ATOM 1234 CA TRP A 80 8.773 -9.332 5.356 1.00 0.00 C ATOM 1235 C TRP A 80 8.467 -9.394 3.863 1.00 0.00 C ATOM 1236 O TRP A 80 9.055 -8.659 3.070 1.00 0.00 O ATOM 1237 CB TRP A 80 9.333 -10.673 5.831 1.00 0.00 C ATOM 1238 CG TRP A 80 10.269 -11.308 4.847 1.00 0.00 C ATOM 1239 CD1 TRP A 80 11.499 -10.848 4.472 1.00 0.00 C ATOM 1240 CD2 TRP A 80 10.048 -12.516 4.112 1.00 0.00 C ATOM 1241 NE1 TRP A 80 12.057 -11.699 3.548 1.00 0.00 N ATOM 1242 CE2 TRP A 80 11.187 -12.730 3.311 1.00 0.00 C ATOM 1243 CE3 TRP A 80 9.001 -13.440 4.053 1.00 0.00 C ATOM 1244 CZ2 TRP A 80 11.305 -13.828 2.463 1.00 0.00 C ATOM 1245 CZ3 TRP A 80 9.119 -14.529 3.211 1.00 0.00 C ATOM 1246 CH2 TRP A 80 10.265 -14.716 2.425 1.00 0.00 C ATOM 0 H TRP A 80 7.491 -9.469 7.010 1.00 0.00 H new ATOM 0 HA TRP A 80 9.520 -8.556 5.523 1.00 0.00 H new ATOM 0 HB2 TRP A 80 9.856 -10.526 6.776 1.00 0.00 H new ATOM 0 HB3 TRP A 80 8.506 -11.355 6.027 1.00 0.00 H new ATOM 0 HD1 TRP A 80 11.965 -9.948 4.846 1.00 0.00 H new ATOM 0 HE1 TRP A 80 12.971 -11.582 3.110 1.00 0.00 H new ATOM 0 HE3 TRP A 80 8.115 -13.305 4.655 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 12.187 -13.974 1.856 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 8.315 -15.248 3.157 1.00 0.00 H new ATOM 0 HH2 TRP A 80 10.328 -15.578 1.777 1.00 0.00 H new ATOM 1257 N GLU A 81 7.546 -10.275 3.488 1.00 0.00 N ATOM 1258 CA GLU A 81 7.164 -10.432 2.089 1.00 0.00 C ATOM 1259 C GLU A 81 6.914 -9.075 1.438 1.00 0.00 C ATOM 1260 O GLU A 81 7.310 -8.840 0.296 1.00 0.00 O ATOM 1261 CB GLU A 81 5.912 -11.304 1.974 1.00 0.00 C ATOM 1262 CG GLU A 81 4.615 -10.531 2.141 1.00 0.00 C ATOM 1263 CD GLU A 81 3.389 -11.414 2.013 1.00 0.00 C ATOM 1264 OE1 GLU A 81 3.392 -12.312 1.146 1.00 0.00 O ATOM 1265 OE2 GLU A 81 2.426 -11.206 2.781 1.00 0.00 O ATOM 0 H GLU A 81 7.050 -10.891 4.132 1.00 0.00 H new ATOM 0 HA GLU A 81 7.987 -10.920 1.567 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.910 -11.795 1.001 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.956 -12.090 2.728 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.609 -10.046 3.117 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.569 -9.740 1.392 1.00 0.00 H new ATOM 1272 N ASP A 82 6.255 -8.186 2.172 1.00 0.00 N ATOM 1273 CA ASP A 82 5.952 -6.852 1.667 1.00 0.00 C ATOM 1274 C ASP A 82 7.229 -6.038 1.482 1.00 0.00 C ATOM 1275 O ASP A 82 7.487 -5.510 0.401 1.00 0.00 O ATOM 1276 CB ASP A 82 5.003 -6.125 2.622 1.00 0.00 C ATOM 1277 CG ASP A 82 3.674 -6.839 2.773 1.00 0.00 C ATOM 1278 OD1 ASP A 82 3.674 -8.087 2.828 1.00 0.00 O ATOM 1279 OD2 ASP A 82 2.635 -6.150 2.836 1.00 0.00 O ATOM 0 H ASP A 82 5.920 -8.365 3.119 1.00 0.00 H new ATOM 0 HA ASP A 82 5.467 -6.959 0.697 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.476 -6.033 3.600 1.00 0.00 H new ATOM 0 HB3 ASP A 82 4.829 -5.113 2.256 1.00 0.00 H new ATOM 1284 N GLN A 83 8.022 -5.940 2.544 1.00 0.00 N ATOM 1285 CA GLN A 83 9.270 -5.189 2.498 1.00 0.00 C ATOM 1286 C GLN A 83 10.150 -5.664 1.346 1.00 0.00 C ATOM 1287 O GLN A 83 10.923 -4.890 0.784 1.00 0.00 O ATOM 1288 CB GLN A 83 10.024 -5.329 3.822 1.00 0.00 C ATOM 1289 CG GLN A 83 9.226 -4.860 5.028 1.00 0.00 C ATOM 1290 CD GLN A 83 10.108 -4.510 6.211 1.00 0.00 C ATOM 1291 OE1 GLN A 83 11.077 -3.762 6.077 1.00 0.00 O ATOM 1292 NE2 GLN A 83 9.777 -5.051 7.377 1.00 0.00 N ATOM 0 H GLN A 83 7.822 -6.371 3.446 1.00 0.00 H new ATOM 0 HA GLN A 83 9.026 -4.139 2.336 1.00 0.00 H new ATOM 0 HB2 GLN A 83 10.302 -6.373 3.964 1.00 0.00 H new ATOM 0 HB3 GLN A 83 10.951 -4.758 3.765 1.00 0.00 H new ATOM 0 HG2 GLN A 83 8.634 -3.988 4.750 1.00 0.00 H new ATOM 0 HG3 GLN A 83 8.525 -5.641 5.321 1.00 0.00 H new ATOM 0 HE21 GLN A 83 8.965 -5.665 7.442 1.00 0.00 H new ATOM 0 HE22 GLN A 83 10.334 -4.852 8.208 1.00 0.00 H new ATOM 1301 N GLN A 84 10.025 -6.942 1.001 1.00 0.00 N ATOM 1302 CA GLN A 84 10.809 -7.520 -0.083 1.00 0.00 C ATOM 1303 C GLN A 84 10.375 -6.954 -1.431 1.00 0.00 C ATOM 1304 O GLN A 84 11.208 -6.647 -2.285 1.00 0.00 O ATOM 1305 CB GLN A 84 10.668 -9.043 -0.087 1.00 0.00 C ATOM 1306 CG GLN A 84 11.124 -9.700 1.206 1.00 0.00 C ATOM 1307 CD GLN A 84 12.595 -10.066 1.188 1.00 0.00 C ATOM 1308 OE1 GLN A 84 13.321 -9.655 2.221 1.00 0.00 O flip ATOM 1309 NE2 GLN A 84 13.075 -10.710 0.255 1.00 0.00 N flip ATOM 0 H GLN A 84 9.388 -7.596 1.457 1.00 0.00 H new ATOM 0 HA GLN A 84 11.855 -7.259 0.080 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.625 -9.302 -0.268 1.00 0.00 H new ATOM 0 HB3 GLN A 84 11.247 -9.451 -0.916 1.00 0.00 H new ATOM 0 HG2 GLN A 84 10.932 -9.025 2.040 1.00 0.00 H new ATOM 0 HG3 GLN A 84 10.532 -10.598 1.381 1.00 0.00 H new ATOM 0 HE21 GLN A 84 12.481 -11.006 -0.519 1.00 0.00 H new ATOM 0 HE22 GLN A 84 14.067 -10.948 0.256 1.00 0.00 H new ATOM 1318 N LYS A 85 9.067 -6.818 -1.616 1.00 0.00 N ATOM 1319 CA LYS A 85 8.521 -6.288 -2.860 1.00 0.00 C ATOM 1320 C LYS A 85 9.077 -4.897 -3.150 1.00 0.00 C ATOM 1321 O LYS A 85 9.190 -4.493 -4.307 1.00 0.00 O ATOM 1322 CB LYS A 85 6.993 -6.232 -2.787 1.00 0.00 C ATOM 1323 CG LYS A 85 6.346 -7.584 -2.542 1.00 0.00 C ATOM 1324 CD LYS A 85 4.874 -7.443 -2.192 1.00 0.00 C ATOM 1325 CE LYS A 85 4.410 -8.563 -1.274 1.00 0.00 C ATOM 1326 NZ LYS A 85 3.087 -8.264 -0.658 1.00 0.00 N ATOM 0 H LYS A 85 8.364 -7.068 -0.920 1.00 0.00 H new ATOM 0 HA LYS A 85 8.817 -6.955 -3.670 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.701 -5.549 -1.990 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.608 -5.818 -3.719 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.451 -8.205 -3.431 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.866 -8.096 -1.732 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.704 -6.481 -1.708 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.279 -7.450 -3.105 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.345 -9.493 -1.839 1.00 0.00 H new ATOM 0 HE3 LYS A 85 5.149 -8.718 -0.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.806 -9.052 -0.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.154 -7.391 -0.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.375 -8.141 -1.406 1.00 0.00 H new ATOM 1340 N ILE A 86 9.424 -4.172 -2.092 1.00 0.00 N ATOM 1341 CA ILE A 86 9.972 -2.828 -2.234 1.00 0.00 C ATOM 1342 C ILE A 86 11.428 -2.873 -2.683 1.00 0.00 C ATOM 1343 O ILE A 86 11.763 -2.434 -3.784 1.00 0.00 O ATOM 1344 CB ILE A 86 9.877 -2.040 -0.915 1.00 0.00 C ATOM 1345 CG1 ILE A 86 8.492 -2.216 -0.288 1.00 0.00 C ATOM 1346 CG2 ILE A 86 10.171 -0.567 -1.156 1.00 0.00 C ATOM 1347 CD1 ILE A 86 7.385 -1.543 -1.069 1.00 0.00 C ATOM 0 H ILE A 86 9.336 -4.492 -1.128 1.00 0.00 H new ATOM 0 HA ILE A 86 9.376 -2.322 -2.994 1.00 0.00 H new ATOM 0 HB ILE A 86 10.621 -2.431 -0.221 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.272 -3.280 -0.205 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.507 -1.814 0.725 1.00 0.00 H new ATOM 0 HG21 ILE A 86 10.100 -0.023 -0.214 1.00 0.00 H new ATOM 0 HG22 ILE A 86 11.176 -0.458 -1.563 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.448 -0.163 -1.864 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.432 -1.709 -0.566 1.00 0.00 H new ATOM 0 HD12 ILE A 86 7.581 -0.473 -1.130 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.343 -1.962 -2.075 1.00 0.00 H new ATOM 1359 N ARG A 87 12.290 -3.408 -1.825 1.00 0.00 N ATOM 1360 CA ARG A 87 13.712 -3.511 -2.134 1.00 0.00 C ATOM 1361 C ARG A 87 13.930 -4.247 -3.452 1.00 0.00 C ATOM 1362 O ARG A 87 14.822 -3.903 -4.228 1.00 0.00 O ATOM 1363 CB ARG A 87 14.449 -4.234 -1.005 1.00 0.00 C ATOM 1364 CG ARG A 87 14.048 -5.692 -0.851 1.00 0.00 C ATOM 1365 CD ARG A 87 14.233 -6.172 0.579 1.00 0.00 C ATOM 1366 NE ARG A 87 14.551 -7.596 0.642 1.00 0.00 N ATOM 1367 CZ ARG A 87 15.751 -8.094 0.364 1.00 0.00 C ATOM 1368 NH1 ARG A 87 16.741 -7.287 0.008 1.00 0.00 N ATOM 1369 NH2 ARG A 87 15.963 -9.401 0.444 1.00 0.00 N ATOM 0 H ARG A 87 12.029 -3.777 -0.911 1.00 0.00 H new ATOM 0 HA ARG A 87 14.112 -2.502 -2.232 1.00 0.00 H new ATOM 0 HB2 ARG A 87 15.522 -4.179 -1.189 1.00 0.00 H new ATOM 0 HB3 ARG A 87 14.259 -3.713 -0.067 1.00 0.00 H new ATOM 0 HG2 ARG A 87 13.006 -5.817 -1.146 1.00 0.00 H new ATOM 0 HG3 ARG A 87 14.646 -6.308 -1.523 1.00 0.00 H new ATOM 0 HD2 ARG A 87 15.032 -5.601 1.052 1.00 0.00 H new ATOM 0 HD3 ARG A 87 13.323 -5.978 1.147 1.00 0.00 H new ATOM 0 HE ARG A 87 13.811 -8.244 0.914 1.00 0.00 H new ATOM 0 HH11 ARG A 87 16.582 -6.281 -0.053 1.00 0.00 H new ATOM 0 HH12 ARG A 87 17.661 -7.672 -0.205 1.00 0.00 H new ATOM 0 HH21 ARG A 87 15.204 -10.025 0.719 1.00 0.00 H new ATOM 0 HH22 ARG A 87 16.885 -9.782 0.230 1.00 0.00 H new ATOM 1383 N LYS A 88 13.109 -5.262 -3.700 1.00 0.00 N ATOM 1384 CA LYS A 88 13.211 -6.048 -4.924 1.00 0.00 C ATOM 1385 C LYS A 88 12.659 -5.272 -6.116 1.00 0.00 C ATOM 1386 O LYS A 88 12.615 -5.783 -7.235 1.00 0.00 O ATOM 1387 CB LYS A 88 12.456 -7.370 -4.770 1.00 0.00 C ATOM 1388 CG LYS A 88 12.902 -8.189 -3.571 1.00 0.00 C ATOM 1389 CD LYS A 88 14.005 -9.167 -3.942 1.00 0.00 C ATOM 1390 CE LYS A 88 13.442 -10.535 -4.292 1.00 0.00 C ATOM 1391 NZ LYS A 88 13.168 -10.667 -5.750 1.00 0.00 N ATOM 0 H LYS A 88 12.365 -5.560 -3.069 1.00 0.00 H new ATOM 0 HA LYS A 88 14.265 -6.257 -5.105 1.00 0.00 H new ATOM 0 HB2 LYS A 88 11.390 -7.162 -4.681 1.00 0.00 H new ATOM 0 HB3 LYS A 88 12.590 -7.963 -5.675 1.00 0.00 H new ATOM 0 HG2 LYS A 88 13.255 -7.522 -2.785 1.00 0.00 H new ATOM 0 HG3 LYS A 88 12.051 -8.736 -3.166 1.00 0.00 H new ATOM 0 HD2 LYS A 88 14.569 -8.777 -4.789 1.00 0.00 H new ATOM 0 HD3 LYS A 88 14.704 -9.262 -3.111 1.00 0.00 H new ATOM 0 HE2 LYS A 88 14.147 -11.307 -3.984 1.00 0.00 H new ATOM 0 HE3 LYS A 88 12.521 -10.702 -3.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 12.981 -11.664 -5.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 12.338 -10.093 -6.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 13.993 -10.336 -6.290 1.00 0.00 H new ATOM 1405 N TYR A 89 12.241 -4.036 -5.868 1.00 0.00 N ATOM 1406 CA TYR A 89 11.692 -3.190 -6.921 1.00 0.00 C ATOM 1407 C TYR A 89 12.617 -2.011 -7.211 1.00 0.00 C ATOM 1408 O TYR A 89 12.843 -1.655 -8.368 1.00 0.00 O ATOM 1409 CB TYR A 89 10.306 -2.678 -6.523 1.00 0.00 C ATOM 1410 CG TYR A 89 9.855 -1.472 -7.315 1.00 0.00 C ATOM 1411 CD1 TYR A 89 9.286 -1.617 -8.574 1.00 0.00 C ATOM 1412 CD2 TYR A 89 9.998 -0.188 -6.804 1.00 0.00 C ATOM 1413 CE1 TYR A 89 8.873 -0.517 -9.302 1.00 0.00 C ATOM 1414 CE2 TYR A 89 9.587 0.917 -7.524 1.00 0.00 C ATOM 1415 CZ TYR A 89 9.025 0.747 -8.773 1.00 0.00 C ATOM 1416 OH TYR A 89 8.615 1.845 -9.493 1.00 0.00 O ATOM 0 H TYR A 89 12.272 -3.598 -4.947 1.00 0.00 H new ATOM 0 HA TYR A 89 11.604 -3.792 -7.826 1.00 0.00 H new ATOM 0 HB2 TYR A 89 9.580 -3.480 -6.654 1.00 0.00 H new ATOM 0 HB3 TYR A 89 10.312 -2.424 -5.463 1.00 0.00 H new ATOM 0 HD1 TYR A 89 9.164 -2.606 -8.991 1.00 0.00 H new ATOM 0 HD2 TYR A 89 10.438 -0.051 -5.827 1.00 0.00 H new ATOM 0 HE1 TYR A 89 8.434 -0.647 -10.280 1.00 0.00 H new ATOM 0 HE2 TYR A 89 9.705 1.908 -7.112 1.00 0.00 H new ATOM 0 HH TYR A 89 7.861 1.597 -10.067 1.00 0.00 H new ATOM 1426 N VAL A 90 13.150 -1.411 -6.152 1.00 0.00 N ATOM 1427 CA VAL A 90 14.052 -0.274 -6.291 1.00 0.00 C ATOM 1428 C VAL A 90 15.414 -0.715 -6.816 1.00 0.00 C ATOM 1429 O VAL A 90 16.096 0.040 -7.508 1.00 0.00 O ATOM 1430 CB VAL A 90 14.244 0.457 -4.949 1.00 0.00 C ATOM 1431 CG1 VAL A 90 13.041 1.337 -4.644 1.00 0.00 C ATOM 1432 CG2 VAL A 90 14.483 -0.542 -3.827 1.00 0.00 C ATOM 0 H VAL A 90 12.973 -1.693 -5.188 1.00 0.00 H new ATOM 0 HA VAL A 90 13.593 0.409 -7.006 1.00 0.00 H new ATOM 0 HB VAL A 90 15.122 1.098 -5.026 1.00 0.00 H new ATOM 0 HG11 VAL A 90 13.194 1.846 -3.692 1.00 0.00 H new ATOM 0 HG12 VAL A 90 12.921 2.077 -5.436 1.00 0.00 H new ATOM 0 HG13 VAL A 90 12.144 0.720 -4.585 1.00 0.00 H new ATOM 0 HG21 VAL A 90 14.617 -0.008 -2.886 1.00 0.00 H new ATOM 0 HG22 VAL A 90 13.626 -1.210 -3.746 1.00 0.00 H new ATOM 0 HG23 VAL A 90 15.378 -1.125 -4.043 1.00 0.00 H new ATOM 1442 N GLU A 91 15.803 -1.941 -6.483 1.00 0.00 N ATOM 1443 CA GLU A 91 17.084 -2.482 -6.921 1.00 0.00 C ATOM 1444 C GLU A 91 17.045 -2.841 -8.403 1.00 0.00 C ATOM 1445 O GLU A 91 17.915 -2.438 -9.174 1.00 0.00 O ATOM 1446 CB GLU A 91 17.452 -3.716 -6.095 1.00 0.00 C ATOM 1447 CG GLU A 91 17.686 -3.417 -4.624 1.00 0.00 C ATOM 1448 CD GLU A 91 19.082 -2.894 -4.350 1.00 0.00 C ATOM 1449 OE1 GLU A 91 20.019 -3.294 -5.073 1.00 0.00 O ATOM 1450 OE2 GLU A 91 19.238 -2.083 -3.412 1.00 0.00 O ATOM 0 H GLU A 91 15.249 -2.579 -5.911 1.00 0.00 H new ATOM 0 HA GLU A 91 17.843 -1.714 -6.771 1.00 0.00 H new ATOM 0 HB2 GLU A 91 16.655 -4.454 -6.185 1.00 0.00 H new ATOM 0 HB3 GLU A 91 18.352 -4.167 -6.513 1.00 0.00 H new ATOM 0 HG2 GLU A 91 16.954 -2.683 -4.285 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.521 -4.324 -4.042 1.00 0.00 H new ATOM 1457 N SER A 92 16.028 -3.603 -8.794 1.00 0.00 N ATOM 1458 CA SER A 92 15.876 -4.021 -10.183 1.00 0.00 C ATOM 1459 C SER A 92 15.953 -2.822 -11.123 1.00 0.00 C ATOM 1460 O SER A 92 16.220 -1.700 -10.696 1.00 0.00 O ATOM 1461 CB SER A 92 14.545 -4.751 -10.376 1.00 0.00 C ATOM 1462 OG SER A 92 14.667 -6.127 -10.061 1.00 0.00 O ATOM 0 H SER A 92 15.297 -3.943 -8.169 1.00 0.00 H new ATOM 0 HA SER A 92 16.693 -4.701 -10.423 1.00 0.00 H new ATOM 0 HB2 SER A 92 13.782 -4.296 -9.744 1.00 0.00 H new ATOM 0 HB3 SER A 92 14.212 -4.639 -11.408 1.00 0.00 H new ATOM 0 HG SER A 92 13.803 -6.570 -10.191 1.00 0.00 H new ATOM 1468 N GLY A 93 15.716 -3.069 -12.408 1.00 0.00 N ATOM 1469 CA GLY A 93 15.763 -2.001 -13.390 1.00 0.00 C ATOM 1470 C GLY A 93 14.805 -0.873 -13.065 1.00 0.00 C ATOM 1471 O GLY A 93 15.000 0.261 -13.502 1.00 0.00 O ATOM 0 H GLY A 93 15.492 -3.989 -12.786 1.00 0.00 H new ATOM 0 HA2 GLY A 93 16.778 -1.607 -13.446 1.00 0.00 H new ATOM 0 HA3 GLY A 93 15.523 -2.405 -14.374 1.00 0.00 H new ATOM 1475 N ALA A 94 13.765 -1.184 -12.297 1.00 0.00 N ATOM 1476 CA ALA A 94 12.773 -0.187 -11.914 1.00 0.00 C ATOM 1477 C ALA A 94 13.430 1.005 -11.227 1.00 0.00 C ATOM 1478 O ALA A 94 14.431 0.857 -10.527 1.00 0.00 O ATOM 1479 CB ALA A 94 11.722 -0.810 -11.007 1.00 0.00 C ATOM 0 H ALA A 94 13.588 -2.118 -11.928 1.00 0.00 H new ATOM 0 HA ALA A 94 12.286 0.173 -12.820 1.00 0.00 H new ATOM 0 HB1 ALA A 94 10.988 -0.054 -10.729 1.00 0.00 H new ATOM 0 HB2 ALA A 94 11.224 -1.624 -11.533 1.00 0.00 H new ATOM 0 HB3 ALA A 94 12.201 -1.199 -10.108 1.00 0.00 H new ATOM 1485 N GLY A 95 12.859 2.189 -11.431 1.00 0.00 N ATOM 1486 CA GLY A 95 13.403 3.389 -10.825 1.00 0.00 C ATOM 1487 C GLY A 95 14.528 3.993 -11.642 1.00 0.00 C ATOM 1488 O GLY A 95 14.455 5.153 -12.049 1.00 0.00 O ATOM 0 H GLY A 95 12.029 2.337 -12.005 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.608 4.125 -10.707 1.00 0.00 H new ATOM 0 HA3 GLY A 95 13.770 3.153 -9.826 1.00 0.00 H new ATOM 1492 N SER A 96 15.572 3.206 -11.882 1.00 0.00 N ATOM 1493 CA SER A 96 16.720 3.672 -12.652 1.00 0.00 C ATOM 1494 C SER A 96 16.439 3.590 -14.149 1.00 0.00 C ATOM 1495 O SER A 96 15.355 3.187 -14.567 1.00 0.00 O ATOM 1496 CB SER A 96 17.960 2.846 -12.307 1.00 0.00 C ATOM 1497 OG SER A 96 17.712 1.460 -12.473 1.00 0.00 O ATOM 0 H SER A 96 15.647 2.243 -11.555 1.00 0.00 H new ATOM 0 HA SER A 96 16.903 4.715 -12.392 1.00 0.00 H new ATOM 0 HB2 SER A 96 18.791 3.149 -12.944 1.00 0.00 H new ATOM 0 HB3 SER A 96 18.258 3.045 -11.278 1.00 0.00 H new ATOM 0 HG SER A 96 16.822 1.331 -12.863 1.00 0.00 H new ATOM 1503 N ASN A 97 17.426 3.975 -14.951 1.00 0.00 N ATOM 1504 CA ASN A 97 17.286 3.946 -16.403 1.00 0.00 C ATOM 1505 C ASN A 97 17.175 2.511 -16.910 1.00 0.00 C ATOM 1506 O ASN A 97 17.352 1.557 -16.152 1.00 0.00 O ATOM 1507 CB ASN A 97 18.478 4.641 -17.065 1.00 0.00 C ATOM 1508 CG ASN A 97 19.790 3.939 -16.776 1.00 0.00 C ATOM 1509 OD1 ASN A 97 19.859 2.710 -16.759 1.00 0.00 O ATOM 1510 ND2 ASN A 97 20.840 4.719 -16.547 1.00 0.00 N ATOM 0 H ASN A 97 18.331 4.311 -14.621 1.00 0.00 H new ATOM 0 HA ASN A 97 16.371 4.478 -16.666 1.00 0.00 H new ATOM 0 HB2 ASN A 97 18.320 4.680 -18.143 1.00 0.00 H new ATOM 0 HB3 ASN A 97 18.535 5.671 -16.714 1.00 0.00 H new ATOM 0 HD21 ASN A 97 21.750 4.304 -16.347 1.00 0.00 H new ATOM 0 HD22 ASN A 97 20.737 5.733 -16.571 1.00 0.00 H new ATOM 1517 N THR A 98 16.880 2.366 -18.198 1.00 0.00 N ATOM 1518 CA THR A 98 16.744 1.049 -18.808 1.00 0.00 C ATOM 1519 C THR A 98 17.622 0.924 -20.047 1.00 0.00 C ATOM 1520 O THR A 98 18.127 -0.156 -20.355 1.00 0.00 O ATOM 1521 CB THR A 98 15.282 0.758 -19.196 1.00 0.00 C ATOM 1522 OG1 THR A 98 14.608 1.980 -19.518 1.00 0.00 O ATOM 1523 CG2 THR A 98 14.551 0.053 -18.063 1.00 0.00 C ATOM 0 H THR A 98 16.731 3.145 -18.839 1.00 0.00 H new ATOM 0 HA THR A 98 17.066 0.321 -18.064 1.00 0.00 H new ATOM 0 HB THR A 98 15.284 0.104 -20.068 1.00 0.00 H new ATOM 0 HG1 THR A 98 13.680 1.786 -19.765 1.00 0.00 H new ATOM 0 HG21 THR A 98 13.521 -0.142 -18.360 1.00 0.00 H new ATOM 0 HG22 THR A 98 15.049 -0.891 -17.840 1.00 0.00 H new ATOM 0 HG23 THR A 98 14.559 0.686 -17.176 1.00 0.00 H new ATOM 1531 N SER A 99 17.800 2.034 -20.756 1.00 0.00 N ATOM 1532 CA SER A 99 18.615 2.047 -21.965 1.00 0.00 C ATOM 1533 C SER A 99 18.353 0.805 -22.810 1.00 0.00 C ATOM 1534 O SER A 99 19.277 0.071 -23.162 1.00 0.00 O ATOM 1535 CB SER A 99 20.100 2.127 -21.603 1.00 0.00 C ATOM 1536 OG SER A 99 20.851 2.701 -22.659 1.00 0.00 O ATOM 0 H SER A 99 17.391 2.936 -20.514 1.00 0.00 H new ATOM 0 HA SER A 99 18.342 2.926 -22.548 1.00 0.00 H new ATOM 0 HB2 SER A 99 20.226 2.721 -20.698 1.00 0.00 H new ATOM 0 HB3 SER A 99 20.479 1.129 -21.384 1.00 0.00 H new ATOM 0 HG SER A 99 21.796 2.743 -22.403 1.00 0.00 H new ATOM 1542 N THR A 100 17.084 0.574 -23.134 1.00 0.00 N ATOM 1543 CA THR A 100 16.697 -0.579 -23.937 1.00 0.00 C ATOM 1544 C THR A 100 15.557 -0.230 -24.887 1.00 0.00 C ATOM 1545 O THR A 100 14.707 0.603 -24.572 1.00 0.00 O ATOM 1546 CB THR A 100 16.268 -1.763 -23.050 1.00 0.00 C ATOM 1547 OG1 THR A 100 16.382 -2.989 -23.780 1.00 0.00 O ATOM 1548 CG2 THR A 100 14.836 -1.585 -22.567 1.00 0.00 C ATOM 0 H THR A 100 16.307 1.171 -22.852 1.00 0.00 H new ATOM 0 HA THR A 100 17.573 -0.869 -24.517 1.00 0.00 H new ATOM 0 HB THR A 100 16.926 -1.796 -22.182 1.00 0.00 H new ATOM 0 HG1 THR A 100 16.109 -3.737 -23.208 1.00 0.00 H new ATOM 0 HG21 THR A 100 14.555 -2.433 -21.942 1.00 0.00 H new ATOM 0 HG22 THR A 100 14.759 -0.666 -21.987 1.00 0.00 H new ATOM 0 HG23 THR A 100 14.167 -1.529 -23.426 1.00 0.00 H new ATOM 1556 N SER A 101 15.544 -0.874 -26.050 1.00 0.00 N ATOM 1557 CA SER A 101 14.509 -0.629 -27.047 1.00 0.00 C ATOM 1558 C SER A 101 13.826 -1.931 -27.452 1.00 0.00 C ATOM 1559 O SER A 101 14.449 -2.994 -27.471 1.00 0.00 O ATOM 1560 CB SER A 101 15.110 0.050 -28.280 1.00 0.00 C ATOM 1561 OG SER A 101 16.093 -0.771 -28.886 1.00 0.00 O ATOM 0 H SER A 101 16.238 -1.569 -26.325 1.00 0.00 H new ATOM 0 HA SER A 101 13.762 0.031 -26.605 1.00 0.00 H new ATOM 0 HB2 SER A 101 14.321 0.269 -28.999 1.00 0.00 H new ATOM 0 HB3 SER A 101 15.554 1.003 -27.994 1.00 0.00 H new ATOM 0 HG SER A 101 16.460 -0.316 -29.672 1.00 0.00 H new ATOM 1567 N THR A 102 12.539 -1.842 -27.776 1.00 0.00 N ATOM 1568 CA THR A 102 11.770 -3.012 -28.179 1.00 0.00 C ATOM 1569 C THR A 102 12.252 -3.551 -29.521 1.00 0.00 C ATOM 1570 O THR A 102 11.917 -3.011 -30.575 1.00 0.00 O ATOM 1571 CB THR A 102 10.267 -2.688 -28.279 1.00 0.00 C ATOM 1572 OG1 THR A 102 10.064 -1.566 -29.145 1.00 0.00 O ATOM 1573 CG2 THR A 102 9.686 -2.388 -26.906 1.00 0.00 C ATOM 0 H THR A 102 12.008 -0.971 -27.767 1.00 0.00 H new ATOM 0 HA THR A 102 11.921 -3.770 -27.411 1.00 0.00 H new ATOM 0 HB THR A 102 9.756 -3.559 -28.689 1.00 0.00 H new ATOM 0 HG1 THR A 102 10.603 -1.677 -29.956 1.00 0.00 H new ATOM 0 HG21 THR A 102 8.624 -2.162 -27.002 1.00 0.00 H new ATOM 0 HG22 THR A 102 9.816 -3.255 -26.259 1.00 0.00 H new ATOM 0 HG23 THR A 102 10.201 -1.531 -26.472 1.00 0.00 H new ATOM 1581 N GLY A 103 13.040 -4.621 -29.475 1.00 0.00 N ATOM 1582 CA GLY A 103 13.555 -5.216 -30.694 1.00 0.00 C ATOM 1583 C GLY A 103 12.550 -6.135 -31.360 1.00 0.00 C ATOM 1584 O GLY A 103 11.862 -6.906 -30.690 1.00 0.00 O ATOM 0 H GLY A 103 13.331 -5.086 -28.615 1.00 0.00 H new ATOM 0 HA2 GLY A 103 13.837 -4.426 -31.390 1.00 0.00 H new ATOM 0 HA3 GLY A 103 14.461 -5.778 -30.466 1.00 0.00 H new ATOM 1588 N THR A 104 12.462 -6.053 -32.684 1.00 0.00 N ATOM 1589 CA THR A 104 11.532 -6.881 -33.441 1.00 0.00 C ATOM 1590 C THR A 104 12.097 -8.279 -33.664 1.00 0.00 C ATOM 1591 O THR A 104 13.303 -8.497 -33.550 1.00 0.00 O ATOM 1592 CB THR A 104 11.201 -6.249 -34.807 1.00 0.00 C ATOM 1593 OG1 THR A 104 10.272 -7.076 -35.516 1.00 0.00 O ATOM 1594 CG2 THR A 104 12.462 -6.066 -35.638 1.00 0.00 C ATOM 0 H THR A 104 13.024 -5.421 -33.254 1.00 0.00 H new ATOM 0 HA THR A 104 10.618 -6.951 -32.851 1.00 0.00 H new ATOM 0 HB THR A 104 10.755 -5.270 -34.632 1.00 0.00 H new ATOM 0 HG1 THR A 104 10.065 -6.667 -36.382 1.00 0.00 H new ATOM 0 HG21 THR A 104 12.204 -5.618 -36.598 1.00 0.00 H new ATOM 0 HG22 THR A 104 13.155 -5.413 -35.108 1.00 0.00 H new ATOM 0 HG23 THR A 104 12.932 -7.035 -35.805 1.00 0.00 H new ATOM 1602 N SER A 105 11.218 -9.223 -33.984 1.00 0.00 N ATOM 1603 CA SER A 105 11.629 -10.602 -34.221 1.00 0.00 C ATOM 1604 C SER A 105 11.086 -11.110 -35.553 1.00 0.00 C ATOM 1605 O SER A 105 9.906 -10.939 -35.862 1.00 0.00 O ATOM 1606 CB SER A 105 11.146 -11.503 -33.083 1.00 0.00 C ATOM 1607 OG SER A 105 12.094 -11.549 -32.031 1.00 0.00 O ATOM 0 H SER A 105 10.216 -9.058 -34.085 1.00 0.00 H new ATOM 0 HA SER A 105 12.718 -10.629 -34.259 1.00 0.00 H new ATOM 0 HB2 SER A 105 10.194 -11.134 -32.702 1.00 0.00 H new ATOM 0 HB3 SER A 105 10.970 -12.510 -33.462 1.00 0.00 H new ATOM 0 HG SER A 105 11.761 -12.130 -31.316 1.00 0.00 H new ATOM 1613 N THR A 106 11.956 -11.737 -36.339 1.00 0.00 N ATOM 1614 CA THR A 106 11.565 -12.269 -37.639 1.00 0.00 C ATOM 1615 C THR A 106 10.563 -13.408 -37.488 1.00 0.00 C ATOM 1616 O THR A 106 10.862 -14.434 -36.878 1.00 0.00 O ATOM 1617 CB THR A 106 12.787 -12.778 -38.427 1.00 0.00 C ATOM 1618 OG1 THR A 106 13.806 -11.773 -38.453 1.00 0.00 O ATOM 1619 CG2 THR A 106 12.397 -13.148 -39.850 1.00 0.00 C ATOM 0 H THR A 106 12.935 -11.889 -36.098 1.00 0.00 H new ATOM 0 HA THR A 106 11.101 -11.451 -38.189 1.00 0.00 H new ATOM 0 HB THR A 106 13.168 -13.669 -37.928 1.00 0.00 H new ATOM 0 HG1 THR A 106 14.580 -12.105 -38.954 1.00 0.00 H new ATOM 0 HG21 THR A 106 13.276 -13.505 -40.387 1.00 0.00 H new ATOM 0 HG22 THR A 106 11.642 -13.934 -39.828 1.00 0.00 H new ATOM 0 HG23 THR A 106 11.993 -12.271 -40.356 1.00 0.00 H new ATOM 1627 N SER A 107 9.372 -13.219 -38.048 1.00 0.00 N ATOM 1628 CA SER A 107 8.323 -14.230 -37.972 1.00 0.00 C ATOM 1629 C SER A 107 8.059 -14.842 -39.345 1.00 0.00 C ATOM 1630 O SER A 107 8.124 -14.156 -40.365 1.00 0.00 O ATOM 1631 CB SER A 107 7.035 -13.619 -37.417 1.00 0.00 C ATOM 1632 OG SER A 107 6.556 -12.586 -38.261 1.00 0.00 O ATOM 0 H SER A 107 9.110 -12.376 -38.559 1.00 0.00 H new ATOM 0 HA SER A 107 8.661 -15.019 -37.300 1.00 0.00 H new ATOM 0 HB2 SER A 107 6.275 -14.394 -37.318 1.00 0.00 H new ATOM 0 HB3 SER A 107 7.218 -13.222 -36.419 1.00 0.00 H new ATOM 0 HG SER A 107 5.731 -12.213 -37.886 1.00 0.00 H new ATOM 1638 N SER A 108 7.761 -16.137 -39.361 1.00 0.00 N ATOM 1639 CA SER A 108 7.491 -16.844 -40.607 1.00 0.00 C ATOM 1640 C SER A 108 5.994 -17.079 -40.784 1.00 0.00 C ATOM 1641 O SER A 108 5.210 -16.889 -39.854 1.00 0.00 O ATOM 1642 CB SER A 108 8.235 -18.181 -40.632 1.00 0.00 C ATOM 1643 OG SER A 108 8.473 -18.607 -41.962 1.00 0.00 O ATOM 0 H SER A 108 7.700 -16.718 -38.525 1.00 0.00 H new ATOM 0 HA SER A 108 7.845 -16.225 -41.431 1.00 0.00 H new ATOM 0 HB2 SER A 108 9.183 -18.083 -40.103 1.00 0.00 H new ATOM 0 HB3 SER A 108 7.652 -18.935 -40.104 1.00 0.00 H new ATOM 0 HG SER A 108 8.951 -19.462 -41.951 1.00 0.00 H new ATOM 1649 N SER A 109 5.605 -17.494 -41.985 1.00 0.00 N ATOM 1650 CA SER A 109 4.202 -17.752 -42.288 1.00 0.00 C ATOM 1651 C SER A 109 4.052 -18.409 -43.657 1.00 0.00 C ATOM 1652 O SER A 109 4.924 -18.284 -44.516 1.00 0.00 O ATOM 1653 CB SER A 109 3.401 -16.449 -42.244 1.00 0.00 C ATOM 1654 OG SER A 109 3.793 -15.575 -43.289 1.00 0.00 O ATOM 0 H SER A 109 6.242 -17.659 -42.765 1.00 0.00 H new ATOM 0 HA SER A 109 3.813 -18.435 -41.533 1.00 0.00 H new ATOM 0 HB2 SER A 109 2.337 -16.669 -42.330 1.00 0.00 H new ATOM 0 HB3 SER A 109 3.549 -15.960 -41.281 1.00 0.00 H new ATOM 0 HG SER A 109 3.266 -14.750 -43.241 1.00 0.00 H new ATOM 1660 N GLY A 110 2.940 -19.110 -43.852 1.00 0.00 N ATOM 1661 CA GLY A 110 2.695 -19.777 -45.117 1.00 0.00 C ATOM 1662 C GLY A 110 2.002 -21.114 -44.944 1.00 0.00 C ATOM 1663 O GLY A 110 2.586 -22.174 -45.172 1.00 0.00 O ATOM 0 H GLY A 110 2.204 -19.228 -43.156 1.00 0.00 H new ATOM 0 HA2 GLY A 110 2.084 -19.134 -45.751 1.00 0.00 H new ATOM 0 HA3 GLY A 110 3.643 -19.927 -45.634 1.00 0.00 H new ATOM 1667 N PRO A 111 0.727 -21.074 -44.530 1.00 0.00 N ATOM 1668 CA PRO A 111 -0.074 -22.283 -44.316 1.00 0.00 C ATOM 1669 C PRO A 111 -0.417 -22.990 -45.623 1.00 0.00 C ATOM 1670 O PRO A 111 -0.526 -24.216 -45.667 1.00 0.00 O ATOM 1671 CB PRO A 111 -1.344 -21.754 -43.645 1.00 0.00 C ATOM 1672 CG PRO A 111 -1.446 -20.337 -44.092 1.00 0.00 C ATOM 1673 CD PRO A 111 -0.032 -19.846 -44.240 1.00 0.00 C ATOM 0 HA PRO A 111 0.460 -23.025 -43.723 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -2.220 -22.328 -43.947 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -1.276 -21.823 -42.559 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -1.985 -20.264 -45.036 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -1.993 -19.737 -43.365 1.00 0.00 H new ATOM 0 HD2 PRO A 111 0.058 -19.118 -45.046 1.00 0.00 H new ATOM 0 HD3 PRO A 111 0.322 -19.360 -43.331 1.00 0.00 H new ATOM 1681 N SER A 112 -0.586 -22.210 -46.686 1.00 0.00 N ATOM 1682 CA SER A 112 -0.920 -22.762 -47.994 1.00 0.00 C ATOM 1683 C SER A 112 -0.077 -23.998 -48.293 1.00 0.00 C ATOM 1684 O SER A 112 1.151 -23.957 -48.221 1.00 0.00 O ATOM 1685 CB SER A 112 -0.709 -21.709 -49.084 1.00 0.00 C ATOM 1686 OG SER A 112 -1.438 -22.035 -50.255 1.00 0.00 O ATOM 0 H SER A 112 -0.497 -21.194 -46.667 1.00 0.00 H new ATOM 0 HA SER A 112 -1.970 -23.055 -47.981 1.00 0.00 H new ATOM 0 HB2 SER A 112 -1.023 -20.732 -48.716 1.00 0.00 H new ATOM 0 HB3 SER A 112 0.352 -21.634 -49.321 1.00 0.00 H new ATOM 0 HG SER A 112 -1.288 -21.346 -50.936 1.00 0.00 H new ATOM 1692 N SER A 113 -0.746 -25.095 -48.631 1.00 0.00 N ATOM 1693 CA SER A 113 -0.061 -26.345 -48.938 1.00 0.00 C ATOM 1694 C SER A 113 -1.039 -27.383 -49.479 1.00 0.00 C ATOM 1695 O SER A 113 -2.248 -27.155 -49.513 1.00 0.00 O ATOM 1696 CB SER A 113 0.639 -26.888 -47.691 1.00 0.00 C ATOM 1697 OG SER A 113 -0.302 -27.364 -46.745 1.00 0.00 O ATOM 0 H SER A 113 -1.763 -25.144 -48.699 1.00 0.00 H new ATOM 0 HA SER A 113 0.686 -26.141 -49.705 1.00 0.00 H new ATOM 0 HB2 SER A 113 1.316 -27.694 -47.972 1.00 0.00 H new ATOM 0 HB3 SER A 113 1.247 -26.103 -47.241 1.00 0.00 H new ATOM 0 HG SER A 113 0.170 -27.707 -45.958 1.00 0.00 H new ATOM 1703 N GLY A 114 -0.507 -28.526 -49.900 1.00 0.00 N ATOM 1704 CA GLY A 114 -1.346 -29.583 -50.433 1.00 0.00 C ATOM 1705 C GLY A 114 -0.655 -30.378 -51.523 1.00 0.00 C ATOM 1706 O GLY A 114 -0.297 -29.802 -52.549 1.00 0.00 O ATOM 0 H GLY A 114 0.490 -28.739 -49.881 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -1.635 -30.255 -49.625 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -2.263 -29.149 -50.830 1.00 0.00 H new TER 1710 GLY A 114 HETATM 1711 ZN ZN A 200 -5.147 -0.227 -7.165 1.00 0.00 ZN