USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 714 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 HIS : no HD1:sc= -10! C(o=-10!,f=-10!) USER MOD Set 1.2: A 30 TYR OH : rot -14:sc= -0.34 USER MOD Single : A 1 LYS N :NH3+ -162:sc= 0.38 (180deg=0.295) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -175:sc= 0.0645 (180deg=0.0596) USER MOD Single : A 6 ASN : amide:sc= -2.1! C(o=-2.1!,f=-7.2!) USER MOD Single : A 9 GLN : amide:sc= -0.402 K(o=-0.4,f=-3.7!) USER MOD Single : A 12 SER OG : rot 180:sc= 0.215 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 19 THR OG1 : rot -152:sc= -0.629 USER MOD Single : A 21 LYS NZ :NH3+ -120:sc= -1.29! (180deg=-2.59!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= -1.67! USER MOD Single : A 33 ASN :FLIP amide:sc= -6.28! C(o=-10!,f=-6.3!) USER MOD Single : A 42 THR OG1 : rot -77:sc= 0.616 USER MOD Single : A 47 TYR OH : rot -170:sc= -10.1! USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN : amide:sc= -14.1! C(o=-14!,f=-15!) USER MOD Single : A 59 SER OG : rot -80:sc= 0.861 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.765! USER MOD Single : A 65 ASN : amide:sc= -0.0605 X(o=-0.06,f=-0.39) USER MOD Single : A 69 SER OG : rot 139:sc= -6.68! USER MOD Single : A 72 GLN :FLIP amide:sc= 0 F(o=-0.79,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -8.369 4.054 8.557 1.00 0.00 N ATOM 2 CA LYS A 1 -7.213 3.933 9.492 1.00 0.00 C ATOM 3 C LYS A 1 -6.004 4.667 8.913 1.00 0.00 C ATOM 4 O LYS A 1 -6.113 5.421 7.968 1.00 0.00 O ATOM 5 CB LYS A 1 -6.869 2.454 9.685 1.00 0.00 C ATOM 6 CG LYS A 1 -7.920 1.800 10.585 1.00 0.00 C ATOM 7 CD LYS A 1 -7.240 1.217 11.825 1.00 0.00 C ATOM 8 CE LYS A 1 -8.305 0.786 12.834 1.00 0.00 C ATOM 9 NZ LYS A 1 -7.679 -0.061 13.888 1.00 0.00 N ATOM 0 H1 LYS A 1 -9.250 3.834 9.064 1.00 0.00 H new ATOM 0 H2 LYS A 1 -8.416 5.025 8.187 1.00 0.00 H new ATOM 0 H3 LYS A 1 -8.248 3.388 7.767 1.00 0.00 H new ATOM 0 HA LYS A 1 -7.476 4.375 10.453 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -6.835 1.948 8.720 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -5.880 2.355 10.131 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -8.669 2.535 10.880 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -8.442 1.013 10.040 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -6.621 0.364 11.547 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -6.578 1.958 12.273 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -8.769 1.663 13.286 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -9.096 0.231 12.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -8.404 -0.354 14.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -7.256 -0.904 13.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -6.940 0.483 14.377 1.00 0.00 H new ATOM 25 N LYS A 2 -4.850 4.458 9.477 1.00 0.00 N ATOM 26 CA LYS A 2 -3.636 5.147 8.962 1.00 0.00 C ATOM 27 C LYS A 2 -2.570 4.107 8.605 1.00 0.00 C ATOM 28 O LYS A 2 -1.964 3.505 9.470 1.00 0.00 O ATOM 29 CB LYS A 2 -3.104 6.101 10.043 1.00 0.00 C ATOM 30 CG LYS A 2 -1.595 6.326 9.865 1.00 0.00 C ATOM 31 CD LYS A 2 -1.176 7.599 10.601 1.00 0.00 C ATOM 32 CE LYS A 2 0.027 8.224 9.892 1.00 0.00 C ATOM 33 NZ LYS A 2 0.895 8.907 10.891 1.00 0.00 N ATOM 0 H LYS A 2 -4.694 3.840 10.273 1.00 0.00 H new ATOM 0 HA LYS A 2 -3.884 5.718 8.067 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -3.629 7.054 9.986 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -3.302 5.687 11.032 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -1.041 5.471 10.253 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -1.352 6.410 8.806 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -2.005 8.307 10.627 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -0.922 7.367 11.635 1.00 0.00 H new ATOM 0 HE2 LYS A 2 0.594 7.454 9.368 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -0.311 8.937 9.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 1.666 9.403 10.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 0.330 9.594 11.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 1.296 8.202 11.542 1.00 0.00 H new ATOM 47 N ALA A 3 -2.322 3.905 7.342 1.00 0.00 N ATOM 48 CA ALA A 3 -1.282 2.924 6.941 1.00 0.00 C ATOM 49 C ALA A 3 0.020 3.681 6.684 1.00 0.00 C ATOM 50 O ALA A 3 0.020 4.773 6.144 1.00 0.00 O ATOM 51 CB ALA A 3 -1.721 2.192 5.672 1.00 0.00 C ATOM 0 H ALA A 3 -2.795 4.377 6.572 1.00 0.00 H new ATOM 0 HA ALA A 3 -1.135 2.188 7.732 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -0.954 1.474 5.383 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -2.657 1.667 5.860 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.865 2.913 4.867 1.00 0.00 H new ATOM 57 N VAL A 4 1.128 3.122 7.078 1.00 0.00 N ATOM 58 CA VAL A 4 2.423 3.823 6.869 1.00 0.00 C ATOM 59 C VAL A 4 3.408 2.889 6.169 1.00 0.00 C ATOM 60 O VAL A 4 3.645 1.779 6.597 1.00 0.00 O ATOM 61 CB VAL A 4 2.998 4.249 8.221 1.00 0.00 C ATOM 62 CG1 VAL A 4 4.367 4.897 8.011 1.00 0.00 C ATOM 63 CG2 VAL A 4 2.053 5.256 8.881 1.00 0.00 C ATOM 0 H VAL A 4 1.193 2.212 7.535 1.00 0.00 H new ATOM 0 HA VAL A 4 2.259 4.704 6.249 1.00 0.00 H new ATOM 0 HB VAL A 4 3.105 3.375 8.863 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.777 5.201 8.974 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.040 4.181 7.539 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.261 5.772 7.370 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.461 5.561 9.845 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.947 6.130 8.239 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.077 4.795 9.030 1.00 0.00 H new ATOM 73 N ILE A 5 3.984 3.341 5.096 1.00 0.00 N ATOM 74 CA ILE A 5 4.957 2.498 4.355 1.00 0.00 C ATOM 75 C ILE A 5 6.361 2.822 4.851 1.00 0.00 C ATOM 76 O ILE A 5 6.868 3.906 4.651 1.00 0.00 O ATOM 77 CB ILE A 5 4.842 2.810 2.865 1.00 0.00 C ATOM 78 CG1 ILE A 5 3.352 2.833 2.476 1.00 0.00 C ATOM 79 CG2 ILE A 5 5.605 1.755 2.052 1.00 0.00 C ATOM 80 CD1 ILE A 5 2.863 1.432 2.102 1.00 0.00 C ATOM 0 H ILE A 5 3.822 4.265 4.697 1.00 0.00 H new ATOM 0 HA ILE A 5 4.752 1.440 4.518 1.00 0.00 H new ATOM 0 HB ILE A 5 5.281 3.784 2.650 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.761 3.219 3.307 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.202 3.511 1.636 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.520 1.983 0.989 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.656 1.763 2.341 1.00 0.00 H new ATOM 0 HG23 ILE A 5 5.182 0.769 2.247 1.00 0.00 H new ATOM 0 HD11 ILE A 5 1.808 1.475 1.831 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.440 1.059 1.256 1.00 0.00 H new ATOM 0 HD13 ILE A 5 2.992 0.762 2.952 1.00 0.00 H new ATOM 92 N ASN A 6 6.993 1.890 5.501 1.00 0.00 N ATOM 93 CA ASN A 6 8.357 2.146 6.015 1.00 0.00 C ATOM 94 C ASN A 6 9.354 1.373 5.162 1.00 0.00 C ATOM 95 O ASN A 6 9.599 0.206 5.383 1.00 0.00 O ATOM 96 CB ASN A 6 8.466 1.685 7.473 1.00 0.00 C ATOM 97 CG ASN A 6 7.112 1.799 8.179 1.00 0.00 C ATOM 98 OD1 ASN A 6 6.092 1.405 7.652 1.00 0.00 O ATOM 99 ND2 ASN A 6 7.071 2.313 9.374 1.00 0.00 N ATOM 0 H ASN A 6 6.621 0.961 5.698 1.00 0.00 H new ATOM 0 HA ASN A 6 8.570 3.214 5.968 1.00 0.00 H new ATOM 0 HB2 ASN A 6 8.814 0.653 7.508 1.00 0.00 H new ATOM 0 HB3 ASN A 6 9.207 2.289 7.996 1.00 0.00 H new ATOM 0 HD21 ASN A 6 6.182 2.385 9.868 1.00 0.00 H new ATOM 0 HD22 ASN A 6 7.928 2.644 9.817 1.00 0.00 H new ATOM 106 N GLY A 7 9.931 2.012 4.187 1.00 0.00 N ATOM 107 CA GLY A 7 10.906 1.303 3.324 1.00 0.00 C ATOM 108 C GLY A 7 12.165 1.006 4.133 1.00 0.00 C ATOM 109 O GLY A 7 13.055 0.313 3.683 1.00 0.00 O ATOM 0 H GLY A 7 9.769 2.991 3.952 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.472 0.376 2.950 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.153 1.913 2.455 1.00 0.00 H new ATOM 113 N GLU A 8 12.247 1.524 5.328 1.00 0.00 N ATOM 114 CA GLU A 8 13.448 1.267 6.162 1.00 0.00 C ATOM 115 C GLU A 8 13.346 -0.127 6.781 1.00 0.00 C ATOM 116 O GLU A 8 14.308 -0.668 7.287 1.00 0.00 O ATOM 117 CB GLU A 8 13.540 2.317 7.270 1.00 0.00 C ATOM 118 CG GLU A 8 14.602 1.894 8.288 1.00 0.00 C ATOM 119 CD GLU A 8 15.447 3.109 8.678 1.00 0.00 C ATOM 120 OE1 GLU A 8 14.968 3.911 9.462 1.00 0.00 O ATOM 121 OE2 GLU A 8 16.557 3.218 8.185 1.00 0.00 O ATOM 0 H GLU A 8 11.534 2.112 5.759 1.00 0.00 H new ATOM 0 HA GLU A 8 14.341 1.324 5.540 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.795 3.288 6.845 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.574 2.428 7.762 1.00 0.00 H new ATOM 0 HG2 GLU A 8 14.125 1.470 9.172 1.00 0.00 H new ATOM 0 HG3 GLU A 8 15.238 1.116 7.865 1.00 0.00 H new ATOM 128 N GLN A 9 12.182 -0.710 6.739 1.00 0.00 N ATOM 129 CA GLN A 9 12.004 -2.071 7.321 1.00 0.00 C ATOM 130 C GLN A 9 11.567 -3.037 6.223 1.00 0.00 C ATOM 131 O GLN A 9 11.726 -4.237 6.334 1.00 0.00 O ATOM 132 CB GLN A 9 10.937 -2.027 8.415 1.00 0.00 C ATOM 133 CG GLN A 9 10.828 -3.401 9.078 1.00 0.00 C ATOM 134 CD GLN A 9 11.419 -3.337 10.488 1.00 0.00 C ATOM 135 OE1 GLN A 9 11.777 -2.276 10.962 1.00 0.00 O ATOM 136 NE2 GLN A 9 11.536 -4.435 11.184 1.00 0.00 N ATOM 0 H GLN A 9 11.343 -0.303 6.326 1.00 0.00 H new ATOM 0 HA GLN A 9 12.947 -2.408 7.751 1.00 0.00 H new ATOM 0 HB2 GLN A 9 11.194 -1.272 9.158 1.00 0.00 H new ATOM 0 HB3 GLN A 9 9.976 -1.740 7.989 1.00 0.00 H new ATOM 0 HG2 GLN A 9 9.784 -3.713 9.124 1.00 0.00 H new ATOM 0 HG3 GLN A 9 11.357 -4.146 8.484 1.00 0.00 H new ATOM 0 HE21 GLN A 9 11.236 -5.325 10.787 1.00 0.00 H new ATOM 0 HE22 GLN A 9 11.928 -4.403 12.125 1.00 0.00 H new ATOM 145 N ILE A 10 11.027 -2.520 5.163 1.00 0.00 N ATOM 146 CA ILE A 10 10.584 -3.400 4.048 1.00 0.00 C ATOM 147 C ILE A 10 11.813 -3.959 3.335 1.00 0.00 C ATOM 148 O ILE A 10 12.445 -3.288 2.542 1.00 0.00 O ATOM 149 CB ILE A 10 9.742 -2.594 3.057 1.00 0.00 C ATOM 150 CG1 ILE A 10 8.475 -2.092 3.755 1.00 0.00 C ATOM 151 CG2 ILE A 10 9.354 -3.483 1.873 1.00 0.00 C ATOM 152 CD1 ILE A 10 7.601 -3.282 4.148 1.00 0.00 C ATOM 0 H ILE A 10 10.871 -1.523 5.017 1.00 0.00 H new ATOM 0 HA ILE A 10 9.983 -4.218 4.445 1.00 0.00 H new ATOM 0 HB ILE A 10 10.321 -1.743 2.697 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.740 -1.514 4.641 1.00 0.00 H new ATOM 0 HG13 ILE A 10 7.923 -1.425 3.093 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.754 -2.908 1.168 1.00 0.00 H new ATOM 0 HG22 ILE A 10 10.256 -3.841 1.376 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.775 -4.334 2.232 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.700 -2.923 4.645 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.325 -3.841 3.254 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.154 -3.932 4.826 1.00 0.00 H new ATOM 164 N ARG A 11 12.153 -5.186 3.606 1.00 0.00 N ATOM 165 CA ARG A 11 13.342 -5.794 2.935 1.00 0.00 C ATOM 166 C ARG A 11 13.028 -5.941 1.453 1.00 0.00 C ATOM 167 O ARG A 11 13.833 -5.640 0.595 1.00 0.00 O ATOM 168 CB ARG A 11 13.641 -7.185 3.509 1.00 0.00 C ATOM 169 CG ARG A 11 13.037 -7.323 4.903 1.00 0.00 C ATOM 170 CD ARG A 11 13.616 -8.559 5.594 1.00 0.00 C ATOM 171 NE ARG A 11 12.595 -9.143 6.507 1.00 0.00 N ATOM 172 CZ ARG A 11 12.906 -9.416 7.745 1.00 0.00 C ATOM 173 NH1 ARG A 11 14.055 -9.970 8.022 1.00 0.00 N ATOM 174 NH2 ARG A 11 12.068 -9.136 8.706 1.00 0.00 N ATOM 0 H ARG A 11 11.663 -5.796 4.261 1.00 0.00 H new ATOM 0 HA ARG A 11 14.209 -5.153 3.097 1.00 0.00 H new ATOM 0 HB2 ARG A 11 13.234 -7.953 2.851 1.00 0.00 H new ATOM 0 HB3 ARG A 11 14.718 -7.343 3.555 1.00 0.00 H new ATOM 0 HG2 ARG A 11 13.250 -6.431 5.492 1.00 0.00 H new ATOM 0 HG3 ARG A 11 11.952 -7.407 4.834 1.00 0.00 H new ATOM 0 HD2 ARG A 11 13.918 -9.296 4.850 1.00 0.00 H new ATOM 0 HD3 ARG A 11 14.510 -8.289 6.156 1.00 0.00 H new ATOM 0 HE ARG A 11 11.652 -9.330 6.165 1.00 0.00 H new ATOM 0 HH11 ARG A 11 14.710 -10.189 7.271 1.00 0.00 H new ATOM 0 HH12 ARG A 11 14.298 -10.183 8.989 1.00 0.00 H new ATOM 0 HH21 ARG A 11 11.170 -8.704 8.490 1.00 0.00 H new ATOM 0 HH22 ARG A 11 12.311 -9.350 9.673 1.00 0.00 H new ATOM 188 N SER A 12 11.850 -6.406 1.154 1.00 0.00 N ATOM 189 CA SER A 12 11.454 -6.583 -0.269 1.00 0.00 C ATOM 190 C SER A 12 9.973 -6.242 -0.432 1.00 0.00 C ATOM 191 O SER A 12 9.244 -6.121 0.533 1.00 0.00 O ATOM 192 CB SER A 12 11.694 -8.035 -0.687 1.00 0.00 C ATOM 193 OG SER A 12 10.581 -8.827 -0.293 1.00 0.00 O ATOM 0 H SER A 12 11.141 -6.673 1.837 1.00 0.00 H new ATOM 0 HA SER A 12 12.049 -5.921 -0.898 1.00 0.00 H new ATOM 0 HB2 SER A 12 11.835 -8.096 -1.766 1.00 0.00 H new ATOM 0 HB3 SER A 12 12.606 -8.413 -0.224 1.00 0.00 H new ATOM 0 HG SER A 12 10.731 -9.758 -0.561 1.00 0.00 H new ATOM 199 N ILE A 13 9.523 -6.087 -1.646 1.00 0.00 N ATOM 200 CA ILE A 13 8.089 -5.756 -1.874 1.00 0.00 C ATOM 201 C ILE A 13 7.209 -6.690 -1.040 1.00 0.00 C ATOM 202 O ILE A 13 6.081 -6.375 -0.718 1.00 0.00 O ATOM 203 CB ILE A 13 7.760 -5.936 -3.356 1.00 0.00 C ATOM 204 CG1 ILE A 13 6.312 -5.518 -3.612 1.00 0.00 C ATOM 205 CG2 ILE A 13 7.939 -7.405 -3.738 1.00 0.00 C ATOM 206 CD1 ILE A 13 6.134 -4.042 -3.250 1.00 0.00 C ATOM 0 H ILE A 13 10.087 -6.175 -2.491 1.00 0.00 H new ATOM 0 HA ILE A 13 7.901 -4.724 -1.579 1.00 0.00 H new ATOM 0 HB ILE A 13 8.428 -5.317 -3.955 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.055 -5.680 -4.659 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.635 -6.133 -3.019 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.705 -7.537 -4.794 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.970 -7.706 -3.554 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.269 -8.021 -3.138 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.101 -3.745 -3.433 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.373 -3.894 -2.197 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.800 -3.434 -3.862 1.00 0.00 H new ATOM 218 N SER A 14 7.714 -7.841 -0.692 1.00 0.00 N ATOM 219 CA SER A 14 6.906 -8.799 0.115 1.00 0.00 C ATOM 220 C SER A 14 6.500 -8.150 1.442 1.00 0.00 C ATOM 221 O SER A 14 5.338 -8.106 1.790 1.00 0.00 O ATOM 222 CB SER A 14 7.734 -10.053 0.395 1.00 0.00 C ATOM 223 OG SER A 14 6.867 -11.115 0.766 1.00 0.00 O ATOM 0 H SER A 14 8.653 -8.160 -0.932 1.00 0.00 H new ATOM 0 HA SER A 14 6.009 -9.069 -0.442 1.00 0.00 H new ATOM 0 HB2 SER A 14 8.308 -10.329 -0.490 1.00 0.00 H new ATOM 0 HB3 SER A 14 8.451 -9.859 1.192 1.00 0.00 H new ATOM 0 HG SER A 14 7.395 -11.921 0.945 1.00 0.00 H new ATOM 229 N ASP A 15 7.448 -7.646 2.186 1.00 0.00 N ATOM 230 CA ASP A 15 7.117 -7.009 3.488 1.00 0.00 C ATOM 231 C ASP A 15 6.244 -5.780 3.248 1.00 0.00 C ATOM 232 O ASP A 15 5.589 -5.279 4.141 1.00 0.00 O ATOM 233 CB ASP A 15 8.417 -6.591 4.171 1.00 0.00 C ATOM 234 CG ASP A 15 8.742 -7.570 5.300 1.00 0.00 C ATOM 235 OD1 ASP A 15 8.091 -7.494 6.330 1.00 0.00 O ATOM 236 OD2 ASP A 15 9.636 -8.380 5.118 1.00 0.00 O ATOM 0 H ASP A 15 8.439 -7.649 1.945 1.00 0.00 H new ATOM 0 HA ASP A 15 6.575 -7.712 4.121 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.231 -6.573 3.446 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.322 -5.581 4.569 1.00 0.00 H new ATOM 241 N LEU A 16 6.225 -5.303 2.041 1.00 0.00 N ATOM 242 CA LEU A 16 5.393 -4.112 1.718 1.00 0.00 C ATOM 243 C LEU A 16 3.924 -4.506 1.808 1.00 0.00 C ATOM 244 O LEU A 16 3.177 -3.995 2.617 1.00 0.00 O ATOM 245 CB LEU A 16 5.710 -3.654 0.292 1.00 0.00 C ATOM 246 CG LEU A 16 5.001 -2.329 -0.055 1.00 0.00 C ATOM 247 CD1 LEU A 16 4.401 -1.647 1.184 1.00 0.00 C ATOM 248 CD2 LEU A 16 6.022 -1.387 -0.681 1.00 0.00 C ATOM 0 H LEU A 16 6.752 -5.687 1.257 1.00 0.00 H new ATOM 0 HA LEU A 16 5.604 -3.302 2.417 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.787 -3.530 0.181 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.404 -4.426 -0.414 1.00 0.00 H new ATOM 0 HG LEU A 16 4.184 -2.553 -0.741 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.913 -0.718 0.888 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.669 -2.310 1.646 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.194 -1.428 1.899 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.539 -0.443 -0.934 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.830 -1.203 0.027 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.429 -1.840 -1.585 1.00 0.00 H new ATOM 260 N HIS A 17 3.514 -5.422 0.980 1.00 0.00 N ATOM 261 CA HIS A 17 2.096 -5.868 0.997 1.00 0.00 C ATOM 262 C HIS A 17 1.748 -6.411 2.377 1.00 0.00 C ATOM 263 O HIS A 17 0.600 -6.453 2.771 1.00 0.00 O ATOM 264 CB HIS A 17 1.907 -6.956 -0.054 1.00 0.00 C ATOM 265 CG HIS A 17 2.164 -6.373 -1.416 1.00 0.00 C ATOM 266 ND1 HIS A 17 1.156 -5.812 -2.185 1.00 0.00 N ATOM 267 CD2 HIS A 17 3.312 -6.257 -2.159 1.00 0.00 C ATOM 268 CE1 HIS A 17 1.713 -5.390 -3.336 1.00 0.00 C ATOM 269 NE2 HIS A 17 3.026 -5.637 -3.371 1.00 0.00 N ATOM 0 H HIS A 17 4.104 -5.884 0.288 1.00 0.00 H new ATOM 0 HA HIS A 17 1.439 -5.027 0.773 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.589 -7.785 0.135 1.00 0.00 H new ATOM 0 HB3 HIS A 17 0.895 -7.358 -0.002 1.00 0.00 H new ATOM 0 HD2 HIS A 17 4.290 -6.596 -1.850 1.00 0.00 H new ATOM 0 HE1 HIS A 17 1.165 -4.910 -4.134 1.00 0.00 H new ATOM 0 HE2 HIS A 17 3.678 -5.418 -4.124 1.00 0.00 H new ATOM 277 N GLN A 18 2.734 -6.813 3.119 1.00 0.00 N ATOM 278 CA GLN A 18 2.471 -7.337 4.485 1.00 0.00 C ATOM 279 C GLN A 18 2.282 -6.152 5.423 1.00 0.00 C ATOM 280 O GLN A 18 1.530 -6.198 6.376 1.00 0.00 O ATOM 281 CB GLN A 18 3.653 -8.190 4.948 1.00 0.00 C ATOM 282 CG GLN A 18 3.728 -9.453 4.089 1.00 0.00 C ATOM 283 CD GLN A 18 4.435 -10.562 4.870 1.00 0.00 C ATOM 284 OE1 GLN A 18 5.365 -10.303 5.608 1.00 0.00 O ATOM 285 NE2 GLN A 18 4.031 -11.795 4.738 1.00 0.00 N ATOM 0 H GLN A 18 3.715 -6.802 2.840 1.00 0.00 H new ATOM 0 HA GLN A 18 1.575 -7.958 4.485 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.580 -7.623 4.865 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.535 -8.456 5.998 1.00 0.00 H new ATOM 0 HG2 GLN A 18 2.725 -9.774 3.808 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.267 -9.245 3.164 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.250 -12.012 4.119 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.496 -12.542 5.254 1.00 0.00 H new ATOM 294 N THR A 19 2.953 -5.081 5.130 1.00 0.00 N ATOM 295 CA THR A 19 2.824 -3.857 5.965 1.00 0.00 C ATOM 296 C THR A 19 1.443 -3.255 5.719 1.00 0.00 C ATOM 297 O THR A 19 0.817 -2.710 6.606 1.00 0.00 O ATOM 298 CB THR A 19 3.930 -2.861 5.576 1.00 0.00 C ATOM 299 OG1 THR A 19 5.114 -3.173 6.295 1.00 0.00 O ATOM 300 CG2 THR A 19 3.501 -1.427 5.902 1.00 0.00 C ATOM 0 H THR A 19 3.593 -4.997 4.340 1.00 0.00 H new ATOM 0 HA THR A 19 2.931 -4.094 7.023 1.00 0.00 H new ATOM 0 HB THR A 19 4.112 -2.937 4.504 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.646 -2.359 6.417 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.296 -0.736 5.620 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.595 -1.183 5.347 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.307 -1.339 6.971 1.00 0.00 H new ATOM 308 N LEU A 20 0.956 -3.384 4.525 1.00 0.00 N ATOM 309 CA LEU A 20 -0.408 -2.854 4.224 1.00 0.00 C ATOM 310 C LEU A 20 -1.407 -3.877 4.737 1.00 0.00 C ATOM 311 O LEU A 20 -2.491 -3.554 5.174 1.00 0.00 O ATOM 312 CB LEU A 20 -0.619 -2.666 2.721 1.00 0.00 C ATOM 313 CG LEU A 20 0.708 -2.356 2.046 1.00 0.00 C ATOM 314 CD1 LEU A 20 0.497 -2.240 0.537 1.00 0.00 C ATOM 315 CD2 LEU A 20 1.264 -1.040 2.594 1.00 0.00 C ATOM 0 H LEU A 20 1.435 -3.830 3.743 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.534 -1.882 4.700 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.054 -3.568 2.291 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.326 -1.855 2.543 1.00 0.00 H new ATOM 0 HG LEU A 20 1.417 -3.158 2.249 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.448 -2.018 0.053 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.104 -3.181 0.151 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.212 -1.439 0.329 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.215 -0.817 2.110 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.557 -0.235 2.393 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.416 -1.129 3.670 1.00 0.00 H new ATOM 327 N LYS A 21 -1.027 -5.120 4.689 1.00 0.00 N ATOM 328 CA LYS A 21 -1.923 -6.195 5.182 1.00 0.00 C ATOM 329 C LYS A 21 -1.927 -6.154 6.709 1.00 0.00 C ATOM 330 O LYS A 21 -2.820 -6.659 7.358 1.00 0.00 O ATOM 331 CB LYS A 21 -1.398 -7.547 4.702 1.00 0.00 C ATOM 332 CG LYS A 21 -2.250 -8.672 5.291 1.00 0.00 C ATOM 333 CD LYS A 21 -2.656 -9.636 4.174 1.00 0.00 C ATOM 334 CE LYS A 21 -1.926 -10.969 4.362 1.00 0.00 C ATOM 335 NZ LYS A 21 -0.744 -11.022 3.456 1.00 0.00 N ATOM 0 H LYS A 21 -0.128 -5.438 4.327 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.935 -6.052 4.804 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.423 -7.591 3.613 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.358 -7.671 5.002 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.690 -9.204 6.060 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.137 -8.259 5.771 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.734 -9.794 4.189 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.410 -9.208 3.202 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.608 -11.078 5.399 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.600 -11.798 4.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.839 -11.830 2.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.689 -10.141 2.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.122 -11.132 4.021 1.00 0.00 H new ATOM 349 N LYS A 22 -0.925 -5.547 7.284 1.00 0.00 N ATOM 350 CA LYS A 22 -0.856 -5.459 8.768 1.00 0.00 C ATOM 351 C LYS A 22 -1.515 -4.151 9.234 1.00 0.00 C ATOM 352 O LYS A 22 -2.097 -4.085 10.298 1.00 0.00 O ATOM 353 CB LYS A 22 0.619 -5.513 9.211 1.00 0.00 C ATOM 354 CG LYS A 22 1.227 -4.105 9.250 1.00 0.00 C ATOM 355 CD LYS A 22 1.052 -3.513 10.650 1.00 0.00 C ATOM 356 CE LYS A 22 2.370 -3.627 11.419 1.00 0.00 C ATOM 357 NZ LYS A 22 2.129 -3.341 12.863 1.00 0.00 N ATOM 0 H LYS A 22 -0.150 -5.108 6.788 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.389 -6.296 9.218 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.691 -5.973 10.197 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.187 -6.141 8.524 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.285 -4.147 8.991 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.742 -3.467 8.511 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.749 -2.468 10.580 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.261 -4.040 11.183 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.788 -4.627 11.300 1.00 0.00 H new ATOM 0 HE3 LYS A 22 3.101 -2.926 11.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.024 -3.418 13.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.749 -2.379 12.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.445 -4.026 13.243 1.00 0.00 H new ATOM 371 N GLU A 23 -1.423 -3.110 8.447 1.00 0.00 N ATOM 372 CA GLU A 23 -2.039 -1.811 8.849 1.00 0.00 C ATOM 373 C GLU A 23 -3.531 -1.820 8.541 1.00 0.00 C ATOM 374 O GLU A 23 -4.360 -1.509 9.373 1.00 0.00 O ATOM 375 CB GLU A 23 -1.367 -0.672 8.080 1.00 0.00 C ATOM 376 CG GLU A 23 0.122 -0.635 8.429 1.00 0.00 C ATOM 377 CD GLU A 23 0.905 -0.051 7.255 1.00 0.00 C ATOM 378 OE1 GLU A 23 0.361 -0.013 6.163 1.00 0.00 O ATOM 379 OE2 GLU A 23 2.037 0.349 7.466 1.00 0.00 O ATOM 0 H GLU A 23 -0.948 -3.104 7.544 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.899 -1.666 9.920 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.497 -0.816 7.007 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.835 0.279 8.333 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.282 -0.032 9.323 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.479 -1.640 8.654 1.00 0.00 H new ATOM 386 N LEU A 24 -3.867 -2.169 7.344 1.00 0.00 N ATOM 387 CA LEU A 24 -5.296 -2.205 6.934 1.00 0.00 C ATOM 388 C LEU A 24 -5.979 -3.413 7.571 1.00 0.00 C ATOM 389 O LEU A 24 -7.185 -3.457 7.702 1.00 0.00 O ATOM 390 CB LEU A 24 -5.371 -2.306 5.410 1.00 0.00 C ATOM 391 CG LEU A 24 -4.398 -1.299 4.792 1.00 0.00 C ATOM 392 CD1 LEU A 24 -4.124 -1.669 3.337 1.00 0.00 C ATOM 393 CD2 LEU A 24 -5.006 0.100 4.867 1.00 0.00 C ATOM 0 H LEU A 24 -3.206 -2.437 6.615 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.802 -1.298 7.265 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.121 -3.317 5.088 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.387 -2.105 5.069 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.458 -1.316 5.343 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.431 -0.949 2.903 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.687 -2.666 3.291 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.059 -1.657 2.776 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.316 0.821 4.428 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.947 0.118 4.318 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.189 0.362 5.909 1.00 0.00 H new ATOM 405 N ALA A 25 -5.214 -4.391 7.977 1.00 0.00 N ATOM 406 CA ALA A 25 -5.816 -5.592 8.619 1.00 0.00 C ATOM 407 C ALA A 25 -6.438 -6.500 7.555 1.00 0.00 C ATOM 408 O ALA A 25 -7.596 -6.858 7.628 1.00 0.00 O ATOM 409 CB ALA A 25 -6.892 -5.142 9.606 1.00 0.00 C ATOM 0 H ALA A 25 -4.198 -4.409 7.891 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.041 -6.149 9.146 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.338 -6.016 10.081 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.443 -4.504 10.368 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.663 -4.584 9.074 1.00 0.00 H new ATOM 415 N LEU A 26 -5.671 -6.881 6.570 1.00 0.00 N ATOM 416 CA LEU A 26 -6.206 -7.773 5.504 1.00 0.00 C ATOM 417 C LEU A 26 -6.140 -9.222 5.996 1.00 0.00 C ATOM 418 O LEU A 26 -5.554 -9.493 7.024 1.00 0.00 O ATOM 419 CB LEU A 26 -5.363 -7.587 4.240 1.00 0.00 C ATOM 420 CG LEU A 26 -5.187 -6.087 3.996 1.00 0.00 C ATOM 421 CD1 LEU A 26 -4.341 -5.867 2.747 1.00 0.00 C ATOM 422 CD2 LEU A 26 -6.561 -5.444 3.793 1.00 0.00 C ATOM 0 H LEU A 26 -4.694 -6.612 6.458 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.243 -7.528 5.274 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.392 -8.069 4.357 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.851 -8.056 3.386 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.691 -5.636 4.855 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.217 -4.798 2.575 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.363 -6.328 2.884 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.837 -6.317 1.887 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.440 -4.375 3.619 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.052 -5.899 2.933 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.171 -5.600 4.683 1.00 0.00 H new ATOM 434 N PRO A 27 -6.760 -10.111 5.263 1.00 0.00 N ATOM 435 CA PRO A 27 -6.802 -11.536 5.628 1.00 0.00 C ATOM 436 C PRO A 27 -5.481 -12.228 5.287 1.00 0.00 C ATOM 437 O PRO A 27 -4.494 -11.594 4.975 1.00 0.00 O ATOM 438 CB PRO A 27 -7.951 -12.090 4.785 1.00 0.00 C ATOM 439 CG PRO A 27 -8.125 -11.117 3.598 1.00 0.00 C ATOM 440 CD PRO A 27 -7.469 -9.789 4.010 1.00 0.00 C ATOM 0 HA PRO A 27 -6.949 -11.697 6.696 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.725 -13.097 4.433 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -8.867 -12.156 5.372 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.656 -11.517 2.699 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.181 -10.972 3.369 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.782 -9.430 3.244 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.213 -9.007 4.163 1.00 0.00 H new ATOM 448 N GLU A 28 -5.459 -13.527 5.372 1.00 0.00 N ATOM 449 CA GLU A 28 -4.211 -14.288 5.084 1.00 0.00 C ATOM 450 C GLU A 28 -4.011 -14.482 3.578 1.00 0.00 C ATOM 451 O GLU A 28 -2.925 -14.319 3.061 1.00 0.00 O ATOM 452 CB GLU A 28 -4.325 -15.665 5.737 1.00 0.00 C ATOM 453 CG GLU A 28 -3.047 -16.464 5.479 1.00 0.00 C ATOM 454 CD GLU A 28 -3.360 -17.960 5.532 1.00 0.00 C ATOM 455 OE1 GLU A 28 -4.532 -18.299 5.565 1.00 0.00 O ATOM 456 OE2 GLU A 28 -2.423 -18.742 5.539 1.00 0.00 O ATOM 0 H GLU A 28 -6.261 -14.101 5.632 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.363 -13.727 5.477 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.488 -15.557 6.809 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.187 -16.199 5.335 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.633 -16.203 4.505 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.292 -16.213 6.224 1.00 0.00 H new ATOM 463 N TYR A 29 -5.039 -14.876 2.883 1.00 0.00 N ATOM 464 CA TYR A 29 -4.901 -15.139 1.422 1.00 0.00 C ATOM 465 C TYR A 29 -4.440 -13.899 0.654 1.00 0.00 C ATOM 466 O TYR A 29 -4.131 -13.989 -0.518 1.00 0.00 O ATOM 467 CB TYR A 29 -6.236 -15.616 0.866 1.00 0.00 C ATOM 468 CG TYR A 29 -7.297 -14.580 1.134 1.00 0.00 C ATOM 469 CD1 TYR A 29 -7.267 -13.353 0.459 1.00 0.00 C ATOM 470 CD2 TYR A 29 -8.324 -14.860 2.040 1.00 0.00 C ATOM 471 CE1 TYR A 29 -8.268 -12.405 0.692 1.00 0.00 C ATOM 472 CE2 TYR A 29 -9.330 -13.913 2.269 1.00 0.00 C ATOM 473 CZ TYR A 29 -9.303 -12.686 1.595 1.00 0.00 C ATOM 474 OH TYR A 29 -10.295 -11.754 1.818 1.00 0.00 O ATOM 0 H TYR A 29 -5.973 -15.028 3.264 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.139 -15.908 1.293 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.151 -15.795 -0.206 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.515 -16.564 1.326 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.472 -13.140 -0.240 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.342 -15.805 2.563 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.244 -11.456 0.176 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.127 -14.129 2.965 1.00 0.00 H new ATOM 0 HH TYR A 29 -10.935 -12.107 2.471 1.00 0.00 H new ATOM 484 N TYR A 30 -4.387 -12.753 1.283 1.00 0.00 N ATOM 485 CA TYR A 30 -3.931 -11.523 0.562 1.00 0.00 C ATOM 486 C TYR A 30 -2.812 -11.889 -0.420 1.00 0.00 C ATOM 487 O TYR A 30 -2.070 -12.831 -0.217 1.00 0.00 O ATOM 488 CB TYR A 30 -3.413 -10.502 1.573 1.00 0.00 C ATOM 489 CG TYR A 30 -2.978 -9.245 0.854 1.00 0.00 C ATOM 490 CD1 TYR A 30 -1.827 -9.251 0.069 1.00 0.00 C ATOM 491 CD2 TYR A 30 -3.714 -8.068 0.996 1.00 0.00 C ATOM 492 CE1 TYR A 30 -1.405 -8.082 -0.573 1.00 0.00 C ATOM 493 CE2 TYR A 30 -3.297 -6.894 0.347 1.00 0.00 C ATOM 494 CZ TYR A 30 -2.140 -6.905 -0.435 1.00 0.00 C ATOM 495 OH TYR A 30 -1.725 -5.751 -1.069 1.00 0.00 O ATOM 0 H TYR A 30 -4.639 -12.614 2.262 1.00 0.00 H new ATOM 0 HA TYR A 30 -4.768 -11.094 0.011 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -4.192 -10.266 2.298 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.576 -10.921 2.131 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -1.258 -10.162 -0.044 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -4.605 -8.060 1.606 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -0.509 -8.091 -1.176 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -3.870 -5.985 0.453 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.805 -5.865 -1.386 1.00 0.00 H new ATOM 505 N GLY A 31 -2.693 -11.148 -1.478 1.00 0.00 N ATOM 506 CA GLY A 31 -1.639 -11.419 -2.491 1.00 0.00 C ATOM 507 C GLY A 31 -0.822 -10.150 -2.687 1.00 0.00 C ATOM 508 O GLY A 31 -1.358 -9.088 -2.922 1.00 0.00 O ATOM 0 H GLY A 31 -3.292 -10.350 -1.690 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.997 -12.236 -2.161 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.090 -11.729 -3.434 1.00 0.00 H new ATOM 512 N GLU A 32 0.464 -10.251 -2.569 1.00 0.00 N ATOM 513 CA GLU A 32 1.332 -9.055 -2.719 1.00 0.00 C ATOM 514 C GLU A 32 1.127 -8.394 -4.089 1.00 0.00 C ATOM 515 O GLU A 32 1.875 -8.640 -5.014 1.00 0.00 O ATOM 516 CB GLU A 32 2.788 -9.493 -2.586 1.00 0.00 C ATOM 517 CG GLU A 32 3.136 -9.663 -1.106 1.00 0.00 C ATOM 518 CD GLU A 32 3.629 -11.089 -0.858 1.00 0.00 C ATOM 519 OE1 GLU A 32 4.108 -11.701 -1.798 1.00 0.00 O ATOM 520 OE2 GLU A 32 3.518 -11.545 0.269 1.00 0.00 O ATOM 0 H GLU A 32 0.960 -11.120 -2.373 1.00 0.00 H new ATOM 0 HA GLU A 32 1.073 -8.330 -1.947 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.947 -10.431 -3.118 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.445 -8.752 -3.042 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.905 -8.946 -0.818 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.261 -9.457 -0.490 1.00 0.00 H new ATOM 527 N ASN A 33 0.141 -7.538 -4.233 1.00 0.00 N ATOM 528 CA ASN A 33 -0.044 -6.872 -5.557 1.00 0.00 C ATOM 529 C ASN A 33 -1.275 -5.966 -5.565 1.00 0.00 C ATOM 530 O ASN A 33 -2.043 -5.917 -4.625 1.00 0.00 O ATOM 531 CB ASN A 33 -0.174 -7.928 -6.658 1.00 0.00 C ATOM 532 CG ASN A 33 -0.803 -9.199 -6.083 1.00 0.00 C ATOM 533 OD1 ASN A 33 -1.833 -9.098 -5.291 1.00 0.00 O flip ATOM 534 ND2 ASN A 33 -0.351 -10.293 -6.360 1.00 0.00 N flip ATOM 0 H ASN A 33 -0.528 -7.278 -3.508 1.00 0.00 H new ATOM 0 HA ASN A 33 0.833 -6.251 -5.742 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -0.788 -7.544 -7.473 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.807 -8.153 -7.076 1.00 0.00 H new ATOM 0 HD21 ASN A 33 0.455 -10.370 -6.980 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -0.778 -11.134 -5.972 1.00 0.00 H new ATOM 541 N LEU A 34 -1.439 -5.230 -6.634 1.00 0.00 N ATOM 542 CA LEU A 34 -2.586 -4.290 -6.750 1.00 0.00 C ATOM 543 C LEU A 34 -3.899 -5.058 -6.884 1.00 0.00 C ATOM 544 O LEU A 34 -4.959 -4.475 -6.863 1.00 0.00 O ATOM 545 CB LEU A 34 -2.396 -3.411 -7.986 1.00 0.00 C ATOM 546 CG LEU A 34 -2.029 -4.286 -9.184 1.00 0.00 C ATOM 547 CD1 LEU A 34 -2.766 -3.786 -10.429 1.00 0.00 C ATOM 548 CD2 LEU A 34 -0.520 -4.213 -9.423 1.00 0.00 C ATOM 0 H LEU A 34 -0.816 -5.243 -7.441 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.625 -3.675 -5.851 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.311 -2.856 -8.194 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.612 -2.676 -7.805 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.318 -5.317 -8.982 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.503 -4.411 -11.283 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.842 -3.836 -10.260 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.478 -2.754 -10.632 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.256 -4.837 -10.277 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.233 -3.181 -9.625 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.006 -4.569 -8.537 1.00 0.00 H new ATOM 560 N ASP A 35 -3.856 -6.353 -7.020 1.00 0.00 N ATOM 561 CA ASP A 35 -5.133 -7.105 -7.145 1.00 0.00 C ATOM 562 C ASP A 35 -5.733 -7.288 -5.755 1.00 0.00 C ATOM 563 O ASP A 35 -6.885 -6.987 -5.528 1.00 0.00 O ATOM 564 CB ASP A 35 -4.921 -8.482 -7.779 1.00 0.00 C ATOM 565 CG ASP A 35 -3.432 -8.806 -7.938 1.00 0.00 C ATOM 566 OD1 ASP A 35 -2.769 -8.100 -8.680 1.00 0.00 O ATOM 567 OD2 ASP A 35 -2.984 -9.756 -7.319 1.00 0.00 O ATOM 0 H ASP A 35 -3.006 -6.916 -7.050 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.802 -6.535 -7.790 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -5.396 -9.245 -7.162 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.407 -8.513 -8.754 1.00 0.00 H new ATOM 572 N ALA A 36 -4.957 -7.770 -4.822 1.00 0.00 N ATOM 573 CA ALA A 36 -5.481 -7.959 -3.441 1.00 0.00 C ATOM 574 C ALA A 36 -5.586 -6.601 -2.770 1.00 0.00 C ATOM 575 O ALA A 36 -6.487 -6.333 -2.001 1.00 0.00 O ATOM 576 CB ALA A 36 -4.523 -8.838 -2.639 1.00 0.00 C ATOM 0 H ALA A 36 -3.983 -8.041 -4.958 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.459 -8.438 -3.483 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.912 -8.973 -1.630 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.428 -9.810 -3.124 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.545 -8.360 -2.590 1.00 0.00 H new ATOM 582 N LEU A 37 -4.665 -5.743 -3.071 1.00 0.00 N ATOM 583 CA LEU A 37 -4.685 -4.385 -2.473 1.00 0.00 C ATOM 584 C LEU A 37 -5.868 -3.613 -3.046 1.00 0.00 C ATOM 585 O LEU A 37 -6.742 -3.187 -2.334 1.00 0.00 O ATOM 586 CB LEU A 37 -3.398 -3.656 -2.821 1.00 0.00 C ATOM 587 CG LEU A 37 -3.417 -2.290 -2.137 1.00 0.00 C ATOM 588 CD1 LEU A 37 -2.399 -2.273 -0.997 1.00 0.00 C ATOM 589 CD2 LEU A 37 -3.071 -1.207 -3.157 1.00 0.00 C ATOM 0 H LEU A 37 -3.891 -5.923 -3.711 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.776 -4.461 -1.389 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.534 -4.233 -2.491 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.309 -3.538 -3.901 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.410 -2.099 -1.731 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.414 -1.298 -0.510 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.653 -3.045 -0.271 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.403 -2.464 -1.396 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.084 -0.232 -2.671 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.078 -1.396 -3.565 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.804 -1.220 -3.964 1.00 0.00 H new ATOM 601 N TRP A 38 -5.914 -3.449 -4.333 1.00 0.00 N ATOM 602 CA TRP A 38 -7.066 -2.733 -4.943 1.00 0.00 C ATOM 603 C TRP A 38 -8.319 -3.465 -4.503 1.00 0.00 C ATOM 604 O TRP A 38 -9.334 -2.880 -4.207 1.00 0.00 O ATOM 605 CB TRP A 38 -6.923 -2.807 -6.458 1.00 0.00 C ATOM 606 CG TRP A 38 -8.068 -2.153 -7.179 1.00 0.00 C ATOM 607 CD1 TRP A 38 -8.829 -2.797 -8.084 1.00 0.00 C ATOM 608 CD2 TRP A 38 -8.579 -0.774 -7.125 1.00 0.00 C ATOM 609 NE1 TRP A 38 -9.779 -1.930 -8.584 1.00 0.00 N ATOM 610 CE2 TRP A 38 -9.668 -0.673 -8.030 1.00 0.00 C ATOM 611 CE3 TRP A 38 -8.227 0.384 -6.398 1.00 0.00 C ATOM 612 CZ2 TRP A 38 -10.370 0.519 -8.208 1.00 0.00 C ATOM 613 CZ3 TRP A 38 -8.934 1.585 -6.580 1.00 0.00 C ATOM 614 CH2 TRP A 38 -10.001 1.652 -7.483 1.00 0.00 C ATOM 0 H TRP A 38 -5.207 -3.778 -4.990 1.00 0.00 H new ATOM 0 HA TRP A 38 -7.110 -1.687 -4.639 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -5.990 -2.328 -6.755 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -6.856 -3.851 -6.762 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -8.714 -3.831 -8.374 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -10.479 -2.188 -9.280 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -7.407 0.347 -5.696 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -11.195 0.564 -8.904 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -8.652 2.463 -6.018 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -10.538 2.579 -7.618 1.00 0.00 H new ATOM 625 N ASP A 39 -8.230 -4.755 -4.439 1.00 0.00 N ATOM 626 CA ASP A 39 -9.396 -5.561 -3.991 1.00 0.00 C ATOM 627 C ASP A 39 -9.777 -5.128 -2.580 1.00 0.00 C ATOM 628 O ASP A 39 -10.935 -5.099 -2.213 1.00 0.00 O ATOM 629 CB ASP A 39 -9.021 -7.042 -3.972 1.00 0.00 C ATOM 630 CG ASP A 39 -9.370 -7.678 -5.319 1.00 0.00 C ATOM 631 OD1 ASP A 39 -9.532 -6.940 -6.276 1.00 0.00 O ATOM 632 OD2 ASP A 39 -9.471 -8.893 -5.370 1.00 0.00 O ATOM 0 H ASP A 39 -7.397 -5.293 -4.678 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.232 -5.408 -4.674 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.956 -7.155 -3.770 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.553 -7.552 -3.169 1.00 0.00 H new ATOM 637 N ALA A 40 -8.801 -4.794 -1.792 1.00 0.00 N ATOM 638 CA ALA A 40 -9.083 -4.357 -0.392 1.00 0.00 C ATOM 639 C ALA A 40 -9.486 -2.884 -0.389 1.00 0.00 C ATOM 640 O ALA A 40 -10.628 -2.550 -0.150 1.00 0.00 O ATOM 641 CB ALA A 40 -7.839 -4.549 0.476 1.00 0.00 C ATOM 0 H ALA A 40 -7.815 -4.803 -2.053 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.897 -4.959 0.013 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.053 -4.228 1.495 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.556 -5.602 0.479 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.019 -3.954 0.073 1.00 0.00 H new ATOM 647 N LEU A 41 -8.551 -2.006 -0.653 1.00 0.00 N ATOM 648 CA LEU A 41 -8.862 -0.545 -0.672 1.00 0.00 C ATOM 649 C LEU A 41 -10.239 -0.330 -1.285 1.00 0.00 C ATOM 650 O LEU A 41 -11.021 0.492 -0.849 1.00 0.00 O ATOM 651 CB LEU A 41 -7.800 0.186 -1.498 1.00 0.00 C ATOM 652 CG LEU A 41 -6.488 0.199 -0.715 1.00 0.00 C ATOM 653 CD1 LEU A 41 -5.307 0.403 -1.669 1.00 0.00 C ATOM 654 CD2 LEU A 41 -6.520 1.327 0.308 1.00 0.00 C ATOM 0 H LEU A 41 -7.580 -2.241 -0.857 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.859 -0.152 0.345 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.661 -0.311 -2.458 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.123 1.205 -1.710 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.368 -0.756 -0.203 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.377 0.411 -1.100 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.282 -0.409 -2.395 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.421 1.353 -2.191 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.585 1.337 0.867 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.647 2.280 -0.205 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.352 1.172 0.995 1.00 0.00 H new ATOM 666 N THR A 42 -10.545 -1.081 -2.284 1.00 0.00 N ATOM 667 CA THR A 42 -11.882 -0.947 -2.934 1.00 0.00 C ATOM 668 C THR A 42 -12.953 -1.685 -2.114 1.00 0.00 C ATOM 669 O THR A 42 -13.859 -2.276 -2.668 1.00 0.00 O ATOM 670 CB THR A 42 -11.835 -1.541 -4.343 1.00 0.00 C ATOM 671 OG1 THR A 42 -11.653 -2.948 -4.255 1.00 0.00 O ATOM 672 CG2 THR A 42 -10.680 -0.921 -5.127 1.00 0.00 C ATOM 0 H THR A 42 -9.933 -1.789 -2.690 1.00 0.00 H new ATOM 0 HA THR A 42 -12.136 0.112 -2.987 1.00 0.00 H new ATOM 0 HB THR A 42 -12.771 -1.326 -4.858 1.00 0.00 H new ATOM 0 HG1 THR A 42 -10.716 -3.144 -4.046 1.00 0.00 H new ATOM 0 HG21 THR A 42 -10.651 -1.347 -6.130 1.00 0.00 H new ATOM 0 HG22 THR A 42 -10.824 0.157 -5.195 1.00 0.00 H new ATOM 0 HG23 THR A 42 -9.740 -1.130 -4.616 1.00 0.00 H new ATOM 680 N GLY A 43 -12.882 -1.648 -0.804 1.00 0.00 N ATOM 681 CA GLY A 43 -13.924 -2.340 0.008 1.00 0.00 C ATOM 682 C GLY A 43 -13.293 -3.189 1.121 1.00 0.00 C ATOM 683 O GLY A 43 -13.675 -4.323 1.327 1.00 0.00 O ATOM 0 H GLY A 43 -12.154 -1.173 -0.270 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -14.595 -1.602 0.447 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -14.529 -2.976 -0.639 1.00 0.00 H new ATOM 687 N TRP A 44 -12.348 -2.659 1.860 1.00 0.00 N ATOM 688 CA TRP A 44 -11.743 -3.465 2.961 1.00 0.00 C ATOM 689 C TRP A 44 -10.876 -2.562 3.831 1.00 0.00 C ATOM 690 O TRP A 44 -11.132 -2.368 5.003 1.00 0.00 O ATOM 691 CB TRP A 44 -10.870 -4.582 2.386 1.00 0.00 C ATOM 692 CG TRP A 44 -10.215 -5.309 3.518 1.00 0.00 C ATOM 693 CD1 TRP A 44 -9.248 -4.798 4.314 1.00 0.00 C ATOM 694 CD2 TRP A 44 -10.469 -6.658 4.000 1.00 0.00 C ATOM 695 NE1 TRP A 44 -8.896 -5.747 5.256 1.00 0.00 N ATOM 696 CE2 TRP A 44 -9.621 -6.911 5.103 1.00 0.00 C ATOM 697 CE3 TRP A 44 -11.347 -7.676 3.592 1.00 0.00 C ATOM 698 CZ2 TRP A 44 -9.643 -8.132 5.779 1.00 0.00 C ATOM 699 CZ3 TRP A 44 -11.372 -8.907 4.267 1.00 0.00 C ATOM 700 CH2 TRP A 44 -10.523 -9.135 5.359 1.00 0.00 C ATOM 0 H TRP A 44 -11.975 -1.716 1.749 1.00 0.00 H new ATOM 0 HA TRP A 44 -12.545 -3.904 3.554 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -11.476 -5.269 1.796 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -10.116 -4.166 1.717 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -8.821 -3.810 4.228 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -8.187 -5.604 5.976 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -12.007 -7.511 2.753 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -8.986 -8.301 6.619 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -12.050 -9.683 3.943 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -10.548 -10.083 5.875 1.00 0.00 H new ATOM 711 N VAL A 45 -9.854 -2.014 3.255 1.00 0.00 N ATOM 712 CA VAL A 45 -8.943 -1.118 4.010 1.00 0.00 C ATOM 713 C VAL A 45 -9.749 -0.190 4.922 1.00 0.00 C ATOM 714 O VAL A 45 -9.265 0.278 5.934 1.00 0.00 O ATOM 715 CB VAL A 45 -8.142 -0.304 2.990 1.00 0.00 C ATOM 716 CG1 VAL A 45 -7.796 1.075 3.544 1.00 0.00 C ATOM 717 CG2 VAL A 45 -6.858 -1.052 2.639 1.00 0.00 C ATOM 0 H VAL A 45 -9.605 -2.150 2.275 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.271 -1.700 4.641 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.751 -0.172 2.096 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.227 1.633 2.801 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.714 1.614 3.778 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.199 0.964 4.449 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.287 -0.474 1.913 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.261 -1.194 3.540 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.108 -2.024 2.213 1.00 0.00 H new ATOM 727 N GLU A 46 -10.962 0.089 4.567 1.00 0.00 N ATOM 728 CA GLU A 46 -11.790 0.997 5.401 1.00 0.00 C ATOM 729 C GLU A 46 -11.308 2.436 5.200 1.00 0.00 C ATOM 730 O GLU A 46 -10.126 2.697 5.097 1.00 0.00 O ATOM 731 CB GLU A 46 -11.642 0.597 6.866 1.00 0.00 C ATOM 732 CG GLU A 46 -12.922 0.948 7.627 1.00 0.00 C ATOM 733 CD GLU A 46 -12.968 2.456 7.882 1.00 0.00 C ATOM 734 OE1 GLU A 46 -11.914 3.068 7.885 1.00 0.00 O ATOM 735 OE2 GLU A 46 -14.058 2.971 8.071 1.00 0.00 O ATOM 0 H GLU A 46 -11.422 -0.273 3.731 1.00 0.00 H new ATOM 0 HA GLU A 46 -12.839 0.925 5.112 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.443 -0.472 6.943 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.790 1.113 7.310 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -13.795 0.639 7.053 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -12.955 0.407 8.573 1.00 0.00 H new ATOM 742 N TYR A 47 -12.215 3.369 5.129 1.00 0.00 N ATOM 743 CA TYR A 47 -11.817 4.790 4.918 1.00 0.00 C ATOM 744 C TYR A 47 -12.549 5.674 5.937 1.00 0.00 C ATOM 745 O TYR A 47 -13.515 5.244 6.534 1.00 0.00 O ATOM 746 CB TYR A 47 -12.200 5.187 3.491 1.00 0.00 C ATOM 747 CG TYR A 47 -11.453 4.308 2.515 1.00 0.00 C ATOM 748 CD1 TYR A 47 -10.097 4.003 2.723 1.00 0.00 C ATOM 749 CD2 TYR A 47 -12.118 3.796 1.396 1.00 0.00 C ATOM 750 CE1 TYR A 47 -9.417 3.188 1.808 1.00 0.00 C ATOM 751 CE2 TYR A 47 -11.434 2.987 0.484 1.00 0.00 C ATOM 752 CZ TYR A 47 -10.084 2.685 0.693 1.00 0.00 C ATOM 753 OH TYR A 47 -9.405 1.903 -0.210 1.00 0.00 O ATOM 0 H TYR A 47 -13.219 3.209 5.208 1.00 0.00 H new ATOM 0 HA TYR A 47 -10.743 4.917 5.055 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -13.275 5.080 3.347 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.958 6.235 3.315 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -9.580 4.396 3.586 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -13.161 4.026 1.236 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -8.376 2.950 1.967 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.947 2.595 -0.382 1.00 0.00 H new ATOM 0 HH TYR A 47 -9.962 1.761 -1.004 1.00 0.00 H new ATOM 763 N PRO A 48 -12.055 6.875 6.130 1.00 0.00 N ATOM 764 CA PRO A 48 -10.880 7.407 5.409 1.00 0.00 C ATOM 765 C PRO A 48 -9.585 6.742 5.879 1.00 0.00 C ATOM 766 O PRO A 48 -9.424 6.407 7.035 1.00 0.00 O ATOM 767 CB PRO A 48 -10.895 8.902 5.745 1.00 0.00 C ATOM 768 CG PRO A 48 -11.719 9.049 7.043 1.00 0.00 C ATOM 769 CD PRO A 48 -12.629 7.809 7.121 1.00 0.00 C ATOM 0 HA PRO A 48 -10.924 7.216 4.337 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -9.882 9.279 5.883 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -11.341 9.478 4.934 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -11.066 9.107 7.914 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.310 9.965 7.026 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.629 7.377 8.122 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -13.663 8.058 6.881 1.00 0.00 H new ATOM 777 N LEU A 49 -8.668 6.542 4.973 1.00 0.00 N ATOM 778 CA LEU A 49 -7.380 5.889 5.331 1.00 0.00 C ATOM 779 C LEU A 49 -6.233 6.885 5.115 1.00 0.00 C ATOM 780 O LEU A 49 -6.378 7.861 4.412 1.00 0.00 O ATOM 781 CB LEU A 49 -7.208 4.653 4.429 1.00 0.00 C ATOM 782 CG LEU A 49 -5.727 4.343 4.157 1.00 0.00 C ATOM 783 CD1 LEU A 49 -5.102 3.681 5.385 1.00 0.00 C ATOM 784 CD2 LEU A 49 -5.627 3.387 2.972 1.00 0.00 C ATOM 0 H LEU A 49 -8.758 6.806 3.992 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.373 5.581 6.376 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.679 3.791 4.901 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.724 4.819 3.483 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.198 5.270 3.937 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.053 3.464 5.187 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.178 4.354 6.239 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.629 2.753 5.606 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.579 3.162 2.773 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.158 2.464 3.203 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.072 3.851 2.092 1.00 0.00 H new ATOM 796 N VAL A 50 -5.094 6.639 5.706 1.00 0.00 N ATOM 797 CA VAL A 50 -3.936 7.561 5.518 1.00 0.00 C ATOM 798 C VAL A 50 -2.747 6.744 5.000 1.00 0.00 C ATOM 799 O VAL A 50 -2.071 6.075 5.752 1.00 0.00 O ATOM 800 CB VAL A 50 -3.596 8.240 6.860 1.00 0.00 C ATOM 801 CG1 VAL A 50 -2.078 8.405 7.033 1.00 0.00 C ATOM 802 CG2 VAL A 50 -4.243 9.621 6.894 1.00 0.00 C ATOM 0 H VAL A 50 -4.915 5.838 6.312 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.178 8.341 4.796 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.973 7.612 7.667 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.871 8.887 7.989 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.601 7.425 7.009 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.684 9.020 6.224 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.008 10.110 7.840 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.860 10.223 6.070 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.324 9.519 6.797 1.00 0.00 H new ATOM 812 N LEU A 51 -2.485 6.790 3.722 1.00 0.00 N ATOM 813 CA LEU A 51 -1.338 6.007 3.183 1.00 0.00 C ATOM 814 C LEU A 51 -0.058 6.817 3.343 1.00 0.00 C ATOM 815 O LEU A 51 0.539 7.237 2.374 1.00 0.00 O ATOM 816 CB LEU A 51 -1.555 5.720 1.695 1.00 0.00 C ATOM 817 CG LEU A 51 -0.464 4.774 1.174 1.00 0.00 C ATOM 818 CD1 LEU A 51 -0.800 3.333 1.535 1.00 0.00 C ATOM 819 CD2 LEU A 51 -0.375 4.886 -0.342 1.00 0.00 C ATOM 0 H LEU A 51 -3.010 7.330 3.034 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.261 5.067 3.729 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.537 5.273 1.543 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.538 6.652 1.131 1.00 0.00 H new ATOM 0 HG LEU A 51 0.486 5.053 1.630 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.019 2.672 1.160 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.868 3.236 2.619 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.754 3.058 1.085 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.400 4.214 -0.712 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.333 4.613 -0.784 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.128 5.911 -0.617 1.00 0.00 H new ATOM 831 N GLU A 52 0.372 7.042 4.554 1.00 0.00 N ATOM 832 CA GLU A 52 1.625 7.820 4.753 1.00 0.00 C ATOM 833 C GLU A 52 2.792 7.003 4.200 1.00 0.00 C ATOM 834 O GLU A 52 3.437 6.264 4.917 1.00 0.00 O ATOM 835 CB GLU A 52 1.835 8.078 6.248 1.00 0.00 C ATOM 836 CG GLU A 52 3.230 8.663 6.477 1.00 0.00 C ATOM 837 CD GLU A 52 3.115 9.948 7.301 1.00 0.00 C ATOM 838 OE1 GLU A 52 2.526 9.893 8.368 1.00 0.00 O ATOM 839 OE2 GLU A 52 3.619 10.965 6.851 1.00 0.00 O ATOM 0 H GLU A 52 -0.086 6.723 5.408 1.00 0.00 H new ATOM 0 HA GLU A 52 1.562 8.777 4.236 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.076 8.766 6.619 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.723 7.149 6.807 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.858 7.940 6.997 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.710 8.873 5.521 1.00 0.00 H new ATOM 846 N TRP A 53 3.064 7.114 2.926 1.00 0.00 N ATOM 847 CA TRP A 53 4.179 6.325 2.339 1.00 0.00 C ATOM 848 C TRP A 53 5.513 6.991 2.680 1.00 0.00 C ATOM 849 O TRP A 53 5.888 7.987 2.094 1.00 0.00 O ATOM 850 CB TRP A 53 4.020 6.239 0.820 1.00 0.00 C ATOM 851 CG TRP A 53 4.719 5.011 0.339 1.00 0.00 C ATOM 852 CD1 TRP A 53 6.040 4.758 0.490 1.00 0.00 C ATOM 853 CD2 TRP A 53 4.160 3.859 -0.351 1.00 0.00 C ATOM 854 NE1 TRP A 53 6.323 3.522 -0.059 1.00 0.00 N ATOM 855 CE2 TRP A 53 5.195 2.929 -0.590 1.00 0.00 C ATOM 856 CE3 TRP A 53 2.862 3.534 -0.783 1.00 0.00 C ATOM 857 CZ2 TRP A 53 4.953 1.719 -1.233 1.00 0.00 C ATOM 858 CZ3 TRP A 53 2.613 2.317 -1.433 1.00 0.00 C ATOM 859 CH2 TRP A 53 3.658 1.409 -1.659 1.00 0.00 C ATOM 0 H TRP A 53 2.563 7.715 2.272 1.00 0.00 H new ATOM 0 HA TRP A 53 4.159 5.317 2.754 1.00 0.00 H new ATOM 0 HB2 TRP A 53 2.964 6.204 0.551 1.00 0.00 H new ATOM 0 HB3 TRP A 53 4.441 7.125 0.344 1.00 0.00 H new ATOM 0 HD1 TRP A 53 6.756 5.415 0.962 1.00 0.00 H new ATOM 0 HE1 TRP A 53 7.251 3.100 -0.071 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.051 4.227 -0.613 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 5.761 1.023 -1.402 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.612 2.078 -1.761 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.463 0.473 -2.161 1.00 0.00 H new ATOM 870 N ARG A 54 6.233 6.448 3.623 1.00 0.00 N ATOM 871 CA ARG A 54 7.542 7.050 4.003 1.00 0.00 C ATOM 872 C ARG A 54 8.529 6.901 2.840 1.00 0.00 C ATOM 873 O ARG A 54 8.162 7.028 1.688 1.00 0.00 O ATOM 874 CB ARG A 54 8.086 6.335 5.241 1.00 0.00 C ATOM 875 CG ARG A 54 6.972 6.193 6.280 1.00 0.00 C ATOM 876 CD ARG A 54 7.582 5.833 7.635 1.00 0.00 C ATOM 877 NE ARG A 54 8.718 6.751 7.926 1.00 0.00 N ATOM 878 CZ ARG A 54 9.670 6.376 8.736 1.00 0.00 C ATOM 879 NH1 ARG A 54 9.455 5.422 9.600 1.00 0.00 N ATOM 880 NH2 ARG A 54 10.838 6.956 8.683 1.00 0.00 N ATOM 0 H ARG A 54 5.971 5.613 4.147 1.00 0.00 H new ATOM 0 HA ARG A 54 7.410 8.109 4.227 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.470 5.352 4.967 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.920 6.897 5.661 1.00 0.00 H new ATOM 0 HG2 ARG A 54 6.411 7.125 6.357 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.267 5.422 5.970 1.00 0.00 H new ATOM 0 HD2 ARG A 54 6.828 5.911 8.418 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.928 4.799 7.627 1.00 0.00 H new ATOM 0 HE ARG A 54 8.752 7.673 7.492 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.542 4.969 9.643 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.200 5.130 10.233 1.00 0.00 H new ATOM 0 HH21 ARG A 54 11.007 7.702 8.009 1.00 0.00 H new ATOM 0 HH22 ARG A 54 11.582 6.663 9.316 1.00 0.00 H new ATOM 894 N GLN A 55 9.778 6.639 3.129 1.00 0.00 N ATOM 895 CA GLN A 55 10.785 6.485 2.040 1.00 0.00 C ATOM 896 C GLN A 55 10.181 5.680 0.888 1.00 0.00 C ATOM 897 O GLN A 55 10.190 4.466 0.894 1.00 0.00 O ATOM 898 CB GLN A 55 12.011 5.748 2.587 1.00 0.00 C ATOM 899 CG GLN A 55 13.275 6.286 1.913 1.00 0.00 C ATOM 900 CD GLN A 55 14.430 6.276 2.916 1.00 0.00 C ATOM 901 OE1 GLN A 55 14.723 5.259 3.513 1.00 0.00 O ATOM 902 NE2 GLN A 55 15.103 7.374 3.128 1.00 0.00 N ATOM 0 H GLN A 55 10.143 6.525 4.075 1.00 0.00 H new ATOM 0 HA GLN A 55 11.079 7.470 1.676 1.00 0.00 H new ATOM 0 HB2 GLN A 55 12.077 5.882 3.667 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.916 4.678 2.404 1.00 0.00 H new ATOM 0 HG2 GLN A 55 13.526 5.675 1.046 1.00 0.00 H new ATOM 0 HG3 GLN A 55 13.103 7.299 1.550 1.00 0.00 H new ATOM 0 HE21 GLN A 55 14.857 8.228 2.627 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.875 7.378 3.795 1.00 0.00 H new ATOM 911 N PHE A 56 9.656 6.349 -0.104 1.00 0.00 N ATOM 912 CA PHE A 56 9.052 5.621 -1.255 1.00 0.00 C ATOM 913 C PHE A 56 10.149 5.247 -2.252 1.00 0.00 C ATOM 914 O PHE A 56 10.083 4.225 -2.907 1.00 0.00 O ATOM 915 CB PHE A 56 8.020 6.514 -1.945 1.00 0.00 C ATOM 916 CG PHE A 56 7.423 5.775 -3.118 1.00 0.00 C ATOM 917 CD1 PHE A 56 6.294 4.968 -2.935 1.00 0.00 C ATOM 918 CD2 PHE A 56 7.999 5.894 -4.389 1.00 0.00 C ATOM 919 CE1 PHE A 56 5.743 4.280 -4.020 1.00 0.00 C ATOM 920 CE2 PHE A 56 7.446 5.207 -5.474 1.00 0.00 C ATOM 921 CZ PHE A 56 6.317 4.400 -5.290 1.00 0.00 C ATOM 0 H PHE A 56 9.620 7.366 -0.166 1.00 0.00 H new ATOM 0 HA PHE A 56 8.563 4.717 -0.894 1.00 0.00 H new ATOM 0 HB2 PHE A 56 7.237 6.795 -1.241 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.490 7.437 -2.284 1.00 0.00 H new ATOM 0 HD1 PHE A 56 5.849 4.877 -1.955 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.870 6.516 -4.531 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.874 3.655 -3.878 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.890 5.299 -6.454 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.889 3.870 -6.128 1.00 0.00 H new ATOM 931 N GLU A 57 11.160 6.064 -2.373 1.00 0.00 N ATOM 932 CA GLU A 57 12.261 5.750 -3.327 1.00 0.00 C ATOM 933 C GLU A 57 12.634 4.274 -3.190 1.00 0.00 C ATOM 934 O GLU A 57 12.108 3.423 -3.881 1.00 0.00 O ATOM 935 CB GLU A 57 13.479 6.618 -3.009 1.00 0.00 C ATOM 936 CG GLU A 57 13.569 7.763 -4.021 1.00 0.00 C ATOM 937 CD GLU A 57 15.010 8.272 -4.088 1.00 0.00 C ATOM 938 OE1 GLU A 57 15.909 7.481 -3.856 1.00 0.00 O ATOM 939 OE2 GLU A 57 15.190 9.445 -4.371 1.00 0.00 O ATOM 0 H GLU A 57 11.271 6.934 -1.853 1.00 0.00 H new ATOM 0 HA GLU A 57 11.933 5.954 -4.346 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.400 7.018 -1.998 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.387 6.016 -3.044 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.247 7.420 -5.004 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.899 8.572 -3.731 1.00 0.00 H new ATOM 946 N GLN A 58 13.532 3.958 -2.298 1.00 0.00 N ATOM 947 CA GLN A 58 13.926 2.534 -2.118 1.00 0.00 C ATOM 948 C GLN A 58 12.669 1.683 -1.942 1.00 0.00 C ATOM 949 O GLN A 58 11.581 2.199 -1.786 1.00 0.00 O ATOM 950 CB GLN A 58 14.810 2.395 -0.878 1.00 0.00 C ATOM 951 CG GLN A 58 14.147 3.098 0.311 1.00 0.00 C ATOM 952 CD GLN A 58 12.952 2.273 0.788 1.00 0.00 C ATOM 953 OE1 GLN A 58 11.817 2.678 0.630 1.00 0.00 O ATOM 954 NE2 GLN A 58 13.158 1.123 1.369 1.00 0.00 N ATOM 0 H GLN A 58 14.008 4.623 -1.688 1.00 0.00 H new ATOM 0 HA GLN A 58 14.480 2.198 -2.994 1.00 0.00 H new ATOM 0 HB2 GLN A 58 14.967 1.341 -0.648 1.00 0.00 H new ATOM 0 HB3 GLN A 58 15.791 2.830 -1.069 1.00 0.00 H new ATOM 0 HG2 GLN A 58 14.865 3.220 1.122 1.00 0.00 H new ATOM 0 HG3 GLN A 58 13.821 4.097 0.021 1.00 0.00 H new ATOM 0 HE21 GLN A 58 14.110 0.782 1.502 1.00 0.00 H new ATOM 0 HE22 GLN A 58 12.367 0.565 1.690 1.00 0.00 H new ATOM 963 N SER A 59 12.811 0.382 -1.973 1.00 0.00 N ATOM 964 CA SER A 59 11.628 -0.518 -1.813 1.00 0.00 C ATOM 965 C SER A 59 10.905 -0.666 -3.158 1.00 0.00 C ATOM 966 O SER A 59 10.438 -1.730 -3.509 1.00 0.00 O ATOM 967 CB SER A 59 10.664 0.065 -0.777 1.00 0.00 C ATOM 968 OG SER A 59 9.684 0.852 -1.441 1.00 0.00 O ATOM 0 H SER A 59 13.701 -0.098 -2.103 1.00 0.00 H new ATOM 0 HA SER A 59 11.970 -1.496 -1.474 1.00 0.00 H new ATOM 0 HB2 SER A 59 10.185 -0.738 -0.217 1.00 0.00 H new ATOM 0 HB3 SER A 59 11.210 0.674 -0.057 1.00 0.00 H new ATOM 0 HG SER A 59 10.059 1.733 -1.651 1.00 0.00 H new ATOM 974 N LYS A 60 10.801 0.392 -3.908 1.00 0.00 N ATOM 975 CA LYS A 60 10.114 0.312 -5.227 1.00 0.00 C ATOM 976 C LYS A 60 11.084 -0.177 -6.313 1.00 0.00 C ATOM 977 O LYS A 60 10.678 -0.737 -7.313 1.00 0.00 O ATOM 978 CB LYS A 60 9.605 1.699 -5.604 1.00 0.00 C ATOM 979 CG LYS A 60 9.110 1.688 -7.051 1.00 0.00 C ATOM 980 CD LYS A 60 10.187 2.279 -7.963 1.00 0.00 C ATOM 981 CE LYS A 60 9.932 1.843 -9.407 1.00 0.00 C ATOM 982 NZ LYS A 60 10.992 2.406 -10.290 1.00 0.00 N ATOM 0 H LYS A 60 11.163 1.314 -3.664 1.00 0.00 H new ATOM 0 HA LYS A 60 9.285 -0.392 -5.152 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.797 1.995 -4.935 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.401 2.434 -5.487 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.877 0.669 -7.359 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.189 2.265 -7.136 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.179 3.367 -7.894 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.174 1.946 -7.641 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.927 0.755 -9.474 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.951 2.187 -9.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.819 2.110 -11.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.976 3.444 -10.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.922 2.057 -9.982 1.00 0.00 H new ATOM 996 N GLN A 61 12.359 0.068 -6.145 1.00 0.00 N ATOM 997 CA GLN A 61 13.351 -0.341 -7.189 1.00 0.00 C ATOM 998 C GLN A 61 13.701 -1.819 -7.070 1.00 0.00 C ATOM 999 O GLN A 61 13.478 -2.599 -7.974 1.00 0.00 O ATOM 1000 CB GLN A 61 14.624 0.492 -7.026 1.00 0.00 C ATOM 1001 CG GLN A 61 14.580 1.684 -7.983 1.00 0.00 C ATOM 1002 CD GLN A 61 14.465 2.981 -7.179 1.00 0.00 C ATOM 1003 OE1 GLN A 61 13.375 3.447 -6.909 1.00 0.00 O ATOM 1004 NE2 GLN A 61 15.551 3.587 -6.782 1.00 0.00 N ATOM 0 H GLN A 61 12.757 0.534 -5.330 1.00 0.00 H new ATOM 0 HA GLN A 61 12.907 -0.171 -8.170 1.00 0.00 H new ATOM 0 HB2 GLN A 61 14.714 0.841 -5.997 1.00 0.00 H new ATOM 0 HB3 GLN A 61 15.501 -0.121 -7.232 1.00 0.00 H new ATOM 0 HG2 GLN A 61 15.480 1.704 -8.598 1.00 0.00 H new ATOM 0 HG3 GLN A 61 13.732 1.588 -8.661 1.00 0.00 H new ATOM 0 HE21 GLN A 61 16.465 3.196 -7.009 1.00 0.00 H new ATOM 0 HE22 GLN A 61 15.485 4.452 -6.245 1.00 0.00 H new ATOM 1013 N LEU A 62 14.271 -2.191 -5.970 1.00 0.00 N ATOM 1014 CA LEU A 62 14.683 -3.618 -5.756 1.00 0.00 C ATOM 1015 C LEU A 62 13.646 -4.575 -6.354 1.00 0.00 C ATOM 1016 O LEU A 62 13.961 -5.689 -6.723 1.00 0.00 O ATOM 1017 CB LEU A 62 14.856 -3.925 -4.256 1.00 0.00 C ATOM 1018 CG LEU A 62 14.276 -2.797 -3.407 1.00 0.00 C ATOM 1019 CD1 LEU A 62 12.812 -2.599 -3.776 1.00 0.00 C ATOM 1020 CD2 LEU A 62 14.376 -3.159 -1.927 1.00 0.00 C ATOM 0 H LEU A 62 14.477 -1.566 -5.191 1.00 0.00 H new ATOM 0 HA LEU A 62 15.639 -3.763 -6.258 1.00 0.00 H new ATOM 0 HB2 LEU A 62 14.359 -4.864 -4.012 1.00 0.00 H new ATOM 0 HB3 LEU A 62 15.913 -4.054 -4.025 1.00 0.00 H new ATOM 0 HG LEU A 62 14.835 -1.880 -3.592 1.00 0.00 H new ATOM 0 HD11 LEU A 62 12.390 -1.794 -3.173 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.735 -2.340 -4.832 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.261 -3.521 -3.587 1.00 0.00 H new ATOM 0 HD21 LEU A 62 13.961 -2.350 -1.326 1.00 0.00 H new ATOM 0 HD22 LEU A 62 13.817 -4.076 -1.738 1.00 0.00 H new ATOM 0 HD23 LEU A 62 15.422 -3.310 -1.659 1.00 0.00 H new ATOM 1032 N THR A 63 12.421 -4.152 -6.466 1.00 0.00 N ATOM 1033 CA THR A 63 11.377 -5.042 -7.054 1.00 0.00 C ATOM 1034 C THR A 63 11.243 -4.741 -8.547 1.00 0.00 C ATOM 1035 O THR A 63 11.925 -5.316 -9.373 1.00 0.00 O ATOM 1036 CB THR A 63 10.024 -4.803 -6.368 1.00 0.00 C ATOM 1037 OG1 THR A 63 8.977 -5.073 -7.289 1.00 0.00 O ATOM 1038 CG2 THR A 63 9.920 -3.354 -5.891 1.00 0.00 C ATOM 0 H THR A 63 12.094 -3.230 -6.177 1.00 0.00 H new ATOM 0 HA THR A 63 11.672 -6.081 -6.905 1.00 0.00 H new ATOM 0 HB THR A 63 9.941 -5.465 -5.506 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.112 -4.923 -6.854 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.956 -3.199 -5.407 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.720 -3.146 -5.181 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.009 -2.683 -6.745 1.00 0.00 H new ATOM 1046 N GLU A 64 10.369 -3.842 -8.896 1.00 0.00 N ATOM 1047 CA GLU A 64 10.177 -3.493 -10.331 1.00 0.00 C ATOM 1048 C GLU A 64 8.880 -2.696 -10.477 1.00 0.00 C ATOM 1049 O GLU A 64 8.727 -1.888 -11.371 1.00 0.00 O ATOM 1050 CB GLU A 64 10.086 -4.775 -11.162 1.00 0.00 C ATOM 1051 CG GLU A 64 9.240 -5.808 -10.416 1.00 0.00 C ATOM 1052 CD GLU A 64 8.636 -6.793 -11.419 1.00 0.00 C ATOM 1053 OE1 GLU A 64 8.521 -6.430 -12.579 1.00 0.00 O ATOM 1054 OE2 GLU A 64 8.298 -7.892 -11.012 1.00 0.00 O ATOM 0 H GLU A 64 9.774 -3.329 -8.245 1.00 0.00 H new ATOM 0 HA GLU A 64 11.019 -2.897 -10.683 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.643 -4.560 -12.134 1.00 0.00 H new ATOM 0 HB3 GLU A 64 11.084 -5.172 -11.348 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.854 -6.342 -9.691 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.448 -5.310 -9.857 1.00 0.00 H new ATOM 1061 N ASN A 65 7.948 -2.919 -9.593 1.00 0.00 N ATOM 1062 CA ASN A 65 6.655 -2.184 -9.657 1.00 0.00 C ATOM 1063 C ASN A 65 5.750 -2.669 -8.524 1.00 0.00 C ATOM 1064 O ASN A 65 4.546 -2.725 -8.658 1.00 0.00 O ATOM 1065 CB ASN A 65 5.978 -2.449 -11.005 1.00 0.00 C ATOM 1066 CG ASN A 65 5.789 -1.129 -11.752 1.00 0.00 C ATOM 1067 OD1 ASN A 65 5.049 -0.269 -11.313 1.00 0.00 O ATOM 1068 ND2 ASN A 65 6.429 -0.929 -12.871 1.00 0.00 N ATOM 0 H ASN A 65 8.028 -3.584 -8.824 1.00 0.00 H new ATOM 0 HA ASN A 65 6.835 -1.114 -9.552 1.00 0.00 H new ATOM 0 HB2 ASN A 65 6.585 -3.132 -11.600 1.00 0.00 H new ATOM 0 HB3 ASN A 65 5.013 -2.932 -10.850 1.00 0.00 H new ATOM 0 HD21 ASN A 65 6.309 -0.052 -13.377 1.00 0.00 H new ATOM 0 HD22 ASN A 65 7.050 -1.650 -13.239 1.00 0.00 H new ATOM 1075 N GLY A 66 6.326 -3.019 -7.406 1.00 0.00 N ATOM 1076 CA GLY A 66 5.505 -3.499 -6.262 1.00 0.00 C ATOM 1077 C GLY A 66 4.918 -2.296 -5.526 1.00 0.00 C ATOM 1078 O GLY A 66 3.719 -2.124 -5.452 1.00 0.00 O ATOM 0 H GLY A 66 7.332 -2.993 -7.237 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.705 -4.148 -6.620 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.117 -4.093 -5.583 1.00 0.00 H new ATOM 1082 N ALA A 67 5.757 -1.457 -4.985 1.00 0.00 N ATOM 1083 CA ALA A 67 5.252 -0.257 -4.260 1.00 0.00 C ATOM 1084 C ALA A 67 4.603 0.701 -5.260 1.00 0.00 C ATOM 1085 O ALA A 67 3.610 1.339 -4.970 1.00 0.00 O ATOM 1086 CB ALA A 67 6.421 0.448 -3.570 1.00 0.00 C ATOM 0 H ALA A 67 6.772 -1.551 -5.014 1.00 0.00 H new ATOM 0 HA ALA A 67 4.518 -0.562 -3.514 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.054 1.326 -3.039 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.891 -0.234 -2.862 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.153 0.755 -4.317 1.00 0.00 H new ATOM 1092 N GLU A 68 5.159 0.810 -6.435 1.00 0.00 N ATOM 1093 CA GLU A 68 4.580 1.726 -7.449 1.00 0.00 C ATOM 1094 C GLU A 68 3.143 1.306 -7.764 1.00 0.00 C ATOM 1095 O GLU A 68 2.304 2.125 -8.087 1.00 0.00 O ATOM 1096 CB GLU A 68 5.421 1.667 -8.726 1.00 0.00 C ATOM 1097 CG GLU A 68 6.254 2.944 -8.852 1.00 0.00 C ATOM 1098 CD GLU A 68 5.621 3.867 -9.895 1.00 0.00 C ATOM 1099 OE1 GLU A 68 5.072 3.355 -10.856 1.00 0.00 O ATOM 1100 OE2 GLU A 68 5.697 5.072 -9.715 1.00 0.00 O ATOM 0 H GLU A 68 5.991 0.302 -6.734 1.00 0.00 H new ATOM 0 HA GLU A 68 4.579 2.744 -7.058 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.075 0.795 -8.703 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.773 1.556 -9.595 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.310 3.451 -7.889 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.275 2.697 -9.142 1.00 0.00 H new ATOM 1107 N SER A 69 2.852 0.036 -7.686 1.00 0.00 N ATOM 1108 CA SER A 69 1.470 -0.428 -7.996 1.00 0.00 C ATOM 1109 C SER A 69 0.578 -0.288 -6.767 1.00 0.00 C ATOM 1110 O SER A 69 -0.518 0.228 -6.854 1.00 0.00 O ATOM 1111 CB SER A 69 1.504 -1.888 -8.442 1.00 0.00 C ATOM 1112 OG SER A 69 0.799 -2.019 -9.669 1.00 0.00 O ATOM 0 H SER A 69 3.509 -0.698 -7.422 1.00 0.00 H new ATOM 0 HA SER A 69 1.064 0.187 -8.799 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.535 -2.219 -8.564 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.053 -2.524 -7.680 1.00 0.00 H new ATOM 0 HG SER A 69 1.287 -2.626 -10.264 1.00 0.00 H new ATOM 1118 N VAL A 70 1.024 -0.713 -5.615 1.00 0.00 N ATOM 1119 CA VAL A 70 0.170 -0.552 -4.419 1.00 0.00 C ATOM 1120 C VAL A 70 -0.232 0.899 -4.376 1.00 0.00 C ATOM 1121 O VAL A 70 -1.249 1.268 -3.835 1.00 0.00 O ATOM 1122 CB VAL A 70 0.944 -0.871 -3.142 1.00 0.00 C ATOM 1123 CG1 VAL A 70 0.072 -0.520 -1.928 1.00 0.00 C ATOM 1124 CG2 VAL A 70 1.298 -2.359 -3.112 1.00 0.00 C ATOM 0 H VAL A 70 1.929 -1.157 -5.458 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.684 -1.226 -4.477 1.00 0.00 H new ATOM 0 HB VAL A 70 1.864 -0.287 -3.114 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.617 -0.745 -1.011 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.175 0.541 -1.952 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.846 -1.107 -1.957 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.850 -2.583 -2.199 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.383 -2.951 -3.137 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.913 -2.604 -3.978 1.00 0.00 H new ATOM 1134 N LEU A 71 0.587 1.729 -4.945 1.00 0.00 N ATOM 1135 CA LEU A 71 0.285 3.164 -4.947 1.00 0.00 C ATOM 1136 C LEU A 71 -0.716 3.466 -6.053 1.00 0.00 C ATOM 1137 O LEU A 71 -1.740 4.059 -5.822 1.00 0.00 O ATOM 1138 CB LEU A 71 1.577 3.955 -5.174 1.00 0.00 C ATOM 1139 CG LEU A 71 1.669 5.203 -4.266 1.00 0.00 C ATOM 1140 CD1 LEU A 71 0.511 5.293 -3.264 1.00 0.00 C ATOM 1141 CD2 LEU A 71 2.983 5.133 -3.499 1.00 0.00 C ATOM 0 H LEU A 71 1.456 1.466 -5.410 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.145 3.454 -3.988 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.434 3.308 -4.986 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.633 4.263 -6.218 1.00 0.00 H new ATOM 0 HG LEU A 71 1.615 6.088 -4.900 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.627 6.188 -2.653 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.434 5.343 -3.804 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.516 4.412 -2.622 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.072 6.004 -2.850 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.004 4.226 -2.894 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.815 5.119 -4.203 1.00 0.00 H new ATOM 1153 N GLN A 72 -0.444 3.060 -7.257 1.00 0.00 N ATOM 1154 CA GLN A 72 -1.422 3.344 -8.341 1.00 0.00 C ATOM 1155 C GLN A 72 -2.814 2.926 -7.865 1.00 0.00 C ATOM 1156 O GLN A 72 -3.826 3.442 -8.301 1.00 0.00 O ATOM 1157 CB GLN A 72 -1.046 2.555 -9.598 1.00 0.00 C ATOM 1158 CG GLN A 72 -0.291 3.467 -10.565 1.00 0.00 C ATOM 1159 CD GLN A 72 -0.148 2.770 -11.919 1.00 0.00 C ATOM 1160 OE1 GLN A 72 -0.231 1.470 -11.981 1.00 0.00 O flip ATOM 1161 NE2 GLN A 72 0.043 3.416 -12.930 1.00 0.00 N flip ATOM 0 H GLN A 72 0.396 2.553 -7.536 1.00 0.00 H new ATOM 0 HA GLN A 72 -1.414 4.408 -8.579 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.427 1.698 -9.331 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -1.944 2.163 -10.077 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.825 4.410 -10.684 1.00 0.00 H new ATOM 0 HG3 GLN A 72 0.693 3.707 -10.162 1.00 0.00 H new ATOM 0 HE21 GLN A 72 0.108 4.433 -12.881 1.00 0.00 H new ATOM 0 HE22 GLN A 72 0.139 2.942 -13.828 1.00 0.00 H new ATOM 1170 N VAL A 73 -2.858 1.992 -6.963 1.00 0.00 N ATOM 1171 CA VAL A 73 -4.164 1.506 -6.435 1.00 0.00 C ATOM 1172 C VAL A 73 -4.610 2.360 -5.247 1.00 0.00 C ATOM 1173 O VAL A 73 -5.751 2.769 -5.166 1.00 0.00 O ATOM 1174 CB VAL A 73 -4.015 0.049 -6.010 1.00 0.00 C ATOM 1175 CG1 VAL A 73 -5.330 -0.459 -5.439 1.00 0.00 C ATOM 1176 CG2 VAL A 73 -3.661 -0.774 -7.242 1.00 0.00 C ATOM 0 H VAL A 73 -2.037 1.537 -6.563 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.922 1.585 -7.214 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.237 -0.037 -5.251 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.217 -1.500 -5.137 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.607 0.142 -4.573 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.109 -0.383 -6.197 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.550 -1.821 -6.960 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.455 -0.680 -7.983 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.725 -0.411 -7.666 1.00 0.00 H new ATOM 1186 N PHE A 74 -3.726 2.653 -4.335 1.00 0.00 N ATOM 1187 CA PHE A 74 -4.106 3.492 -3.189 1.00 0.00 C ATOM 1188 C PHE A 74 -4.692 4.777 -3.758 1.00 0.00 C ATOM 1189 O PHE A 74 -5.814 5.162 -3.479 1.00 0.00 O ATOM 1190 CB PHE A 74 -2.855 3.798 -2.366 1.00 0.00 C ATOM 1191 CG PHE A 74 -2.789 2.847 -1.199 1.00 0.00 C ATOM 1192 CD1 PHE A 74 -3.793 2.863 -0.223 1.00 0.00 C ATOM 1193 CD2 PHE A 74 -1.740 1.926 -1.108 1.00 0.00 C ATOM 1194 CE1 PHE A 74 -3.741 1.959 0.840 1.00 0.00 C ATOM 1195 CE2 PHE A 74 -1.699 1.018 -0.046 1.00 0.00 C ATOM 1196 CZ PHE A 74 -2.701 1.038 0.925 1.00 0.00 C ATOM 0 H PHE A 74 -2.755 2.341 -4.343 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.832 2.996 -2.545 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.963 3.697 -2.985 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.881 4.828 -2.011 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.605 3.572 -0.292 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -0.963 1.916 -1.858 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.510 1.975 1.598 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -0.893 0.302 0.023 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.669 0.336 1.745 1.00 0.00 H new ATOM 1206 N ARG A 75 -3.929 5.421 -4.593 1.00 0.00 N ATOM 1207 CA ARG A 75 -4.399 6.664 -5.245 1.00 0.00 C ATOM 1208 C ARG A 75 -5.619 6.342 -6.109 1.00 0.00 C ATOM 1209 O ARG A 75 -6.597 7.058 -6.094 1.00 0.00 O ATOM 1210 CB ARG A 75 -3.290 7.225 -6.134 1.00 0.00 C ATOM 1211 CG ARG A 75 -2.145 7.747 -5.263 1.00 0.00 C ATOM 1212 CD ARG A 75 -0.972 8.161 -6.153 1.00 0.00 C ATOM 1213 NE ARG A 75 -0.914 7.267 -7.344 1.00 0.00 N ATOM 1214 CZ ARG A 75 -1.111 7.758 -8.536 1.00 0.00 C ATOM 1215 NH1 ARG A 75 -0.216 8.537 -9.076 1.00 0.00 N ATOM 1216 NH2 ARG A 75 -2.205 7.471 -9.187 1.00 0.00 N ATOM 0 H ARG A 75 -2.986 5.131 -4.853 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.663 7.399 -4.485 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.923 6.450 -6.807 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.682 8.029 -6.757 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.483 8.597 -4.671 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.828 6.976 -4.561 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.089 9.198 -6.468 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.038 8.101 -5.594 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.720 6.272 -7.227 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.638 8.762 -8.566 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.370 8.921 -10.008 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.906 6.863 -8.764 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.359 7.855 -10.119 1.00 0.00 H new ATOM 1230 N GLU A 76 -5.582 5.269 -6.868 1.00 0.00 N ATOM 1231 CA GLU A 76 -6.762 4.938 -7.712 1.00 0.00 C ATOM 1232 C GLU A 76 -8.009 4.925 -6.836 1.00 0.00 C ATOM 1233 O GLU A 76 -9.107 5.179 -7.287 1.00 0.00 O ATOM 1234 CB GLU A 76 -6.578 3.557 -8.329 1.00 0.00 C ATOM 1235 CG GLU A 76 -6.134 3.703 -9.778 1.00 0.00 C ATOM 1236 CD GLU A 76 -5.472 2.406 -10.245 1.00 0.00 C ATOM 1237 OE1 GLU A 76 -4.932 1.704 -9.405 1.00 0.00 O ATOM 1238 OE2 GLU A 76 -5.517 2.135 -11.434 1.00 0.00 O ATOM 0 H GLU A 76 -4.796 4.622 -6.935 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.864 5.681 -8.503 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.836 2.991 -7.765 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.512 2.997 -8.278 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.992 3.934 -10.410 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.435 4.534 -9.873 1.00 0.00 H new ATOM 1245 N ALA A 77 -7.840 4.630 -5.581 1.00 0.00 N ATOM 1246 CA ALA A 77 -9.006 4.597 -4.658 1.00 0.00 C ATOM 1247 C ALA A 77 -9.344 6.025 -4.245 1.00 0.00 C ATOM 1248 O ALA A 77 -10.473 6.461 -4.349 1.00 0.00 O ATOM 1249 CB ALA A 77 -8.646 3.767 -3.425 1.00 0.00 C ATOM 0 H ALA A 77 -6.941 4.409 -5.152 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.868 4.147 -5.151 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.497 3.739 -2.744 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.392 2.752 -3.731 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.792 4.218 -2.920 1.00 0.00 H new ATOM 1255 N LYS A 78 -8.371 6.769 -3.798 1.00 0.00 N ATOM 1256 CA LYS A 78 -8.634 8.170 -3.405 1.00 0.00 C ATOM 1257 C LYS A 78 -9.107 8.955 -4.639 1.00 0.00 C ATOM 1258 O LYS A 78 -9.576 10.071 -4.539 1.00 0.00 O ATOM 1259 CB LYS A 78 -7.337 8.762 -2.848 1.00 0.00 C ATOM 1260 CG LYS A 78 -6.443 9.262 -3.988 1.00 0.00 C ATOM 1261 CD LYS A 78 -6.503 10.788 -4.050 1.00 0.00 C ATOM 1262 CE LYS A 78 -5.768 11.373 -2.843 1.00 0.00 C ATOM 1263 NZ LYS A 78 -6.604 12.437 -2.220 1.00 0.00 N ATOM 0 H LYS A 78 -7.405 6.461 -3.690 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.411 8.224 -2.642 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.567 9.584 -2.171 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.807 8.008 -2.266 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -5.416 8.934 -3.830 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.771 8.836 -4.936 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.048 11.144 -4.975 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.540 11.123 -4.056 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -5.558 10.588 -2.116 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.808 11.785 -3.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.104 12.835 -1.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.783 13.190 -2.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.510 12.030 -1.910 1.00 0.00 H new ATOM 1277 N ALA A 79 -8.981 8.368 -5.801 1.00 0.00 N ATOM 1278 CA ALA A 79 -9.410 9.047 -7.052 1.00 0.00 C ATOM 1279 C ALA A 79 -10.849 8.663 -7.372 1.00 0.00 C ATOM 1280 O ALA A 79 -11.762 9.460 -7.286 1.00 0.00 O ATOM 1281 CB ALA A 79 -8.532 8.566 -8.206 1.00 0.00 C ATOM 0 H ALA A 79 -8.593 7.434 -5.934 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.324 10.126 -6.921 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -8.840 9.059 -9.128 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.490 8.808 -7.996 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.638 7.487 -8.319 1.00 0.00 H new ATOM 1287 N GLU A 80 -11.038 7.438 -7.763 1.00 0.00 N ATOM 1288 CA GLU A 80 -12.391 6.956 -8.122 1.00 0.00 C ATOM 1289 C GLU A 80 -13.399 7.340 -7.035 1.00 0.00 C ATOM 1290 O GLU A 80 -14.379 8.007 -7.302 1.00 0.00 O ATOM 1291 CB GLU A 80 -12.341 5.439 -8.276 1.00 0.00 C ATOM 1292 CG GLU A 80 -11.151 5.053 -9.157 1.00 0.00 C ATOM 1293 CD GLU A 80 -11.655 4.364 -10.425 1.00 0.00 C ATOM 1294 OE1 GLU A 80 -11.844 3.159 -10.386 1.00 0.00 O ATOM 1295 OE2 GLU A 80 -11.844 5.052 -11.415 1.00 0.00 O ATOM 0 H GLU A 80 -10.299 6.741 -7.850 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.708 7.416 -9.058 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -12.251 4.967 -7.298 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.268 5.077 -8.720 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.575 5.941 -9.418 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.482 4.388 -8.611 1.00 0.00 H new ATOM 1302 N GLY A 81 -13.180 6.930 -5.814 1.00 0.00 N ATOM 1303 CA GLY A 81 -14.155 7.291 -4.742 1.00 0.00 C ATOM 1304 C GLY A 81 -13.541 7.063 -3.360 1.00 0.00 C ATOM 1305 O GLY A 81 -13.827 7.781 -2.422 1.00 0.00 O ATOM 0 H GLY A 81 -12.382 6.370 -5.515 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -14.450 8.335 -4.847 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -15.059 6.692 -4.848 1.00 0.00 H new ATOM 1309 N ALA A 82 -12.713 6.064 -3.224 1.00 0.00 N ATOM 1310 CA ALA A 82 -12.086 5.777 -1.902 1.00 0.00 C ATOM 1311 C ALA A 82 -11.718 7.080 -1.190 1.00 0.00 C ATOM 1312 O ALA A 82 -11.419 8.079 -1.813 1.00 0.00 O ATOM 1313 CB ALA A 82 -10.821 4.949 -2.116 1.00 0.00 C ATOM 0 H ALA A 82 -12.442 5.430 -3.976 1.00 0.00 H new ATOM 0 HA ALA A 82 -12.797 5.226 -1.286 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.358 4.736 -1.152 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -11.079 4.012 -2.610 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -10.122 5.507 -2.739 1.00 0.00 H new ATOM 1319 N ASP A 83 -11.728 7.069 0.113 1.00 0.00 N ATOM 1320 CA ASP A 83 -11.367 8.292 0.878 1.00 0.00 C ATOM 1321 C ASP A 83 -9.992 8.078 1.504 1.00 0.00 C ATOM 1322 O ASP A 83 -9.837 8.054 2.710 1.00 0.00 O ATOM 1323 CB ASP A 83 -12.403 8.540 1.976 1.00 0.00 C ATOM 1324 CG ASP A 83 -13.552 9.376 1.411 1.00 0.00 C ATOM 1325 OD1 ASP A 83 -14.038 9.036 0.344 1.00 0.00 O ATOM 1326 OD2 ASP A 83 -13.927 10.343 2.054 1.00 0.00 O ATOM 0 H ASP A 83 -11.972 6.260 0.684 1.00 0.00 H new ATOM 0 HA ASP A 83 -11.347 9.157 0.215 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.782 7.591 2.355 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.941 9.058 2.817 1.00 0.00 H new ATOM 1331 N ILE A 84 -8.996 7.892 0.687 1.00 0.00 N ATOM 1332 CA ILE A 84 -7.633 7.650 1.221 1.00 0.00 C ATOM 1333 C ILE A 84 -6.734 8.858 0.961 1.00 0.00 C ATOM 1334 O ILE A 84 -6.859 9.542 -0.036 1.00 0.00 O ATOM 1335 CB ILE A 84 -7.047 6.430 0.524 1.00 0.00 C ATOM 1336 CG1 ILE A 84 -7.885 5.217 0.877 1.00 0.00 C ATOM 1337 CG2 ILE A 84 -5.615 6.197 0.999 1.00 0.00 C ATOM 1338 CD1 ILE A 84 -8.016 4.319 -0.347 1.00 0.00 C ATOM 0 H ILE A 84 -9.069 7.897 -0.330 1.00 0.00 H new ATOM 0 HA ILE A 84 -7.692 7.484 2.297 1.00 0.00 H new ATOM 0 HB ILE A 84 -7.047 6.593 -0.554 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -7.422 4.668 1.697 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.871 5.530 1.219 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -5.203 5.322 0.496 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -5.007 7.071 0.765 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.611 6.031 2.076 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.618 3.446 -0.095 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -8.498 4.872 -1.154 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.026 3.996 -0.669 1.00 0.00 H new ATOM 1350 N THR A 85 -5.810 9.105 1.845 1.00 0.00 N ATOM 1351 CA THR A 85 -4.871 10.240 1.662 1.00 0.00 C ATOM 1352 C THR A 85 -3.501 9.659 1.328 1.00 0.00 C ATOM 1353 O THR A 85 -2.788 9.183 2.192 1.00 0.00 O ATOM 1354 CB THR A 85 -4.789 11.057 2.955 1.00 0.00 C ATOM 1355 OG1 THR A 85 -6.101 11.316 3.433 1.00 0.00 O ATOM 1356 CG2 THR A 85 -4.073 12.380 2.679 1.00 0.00 C ATOM 0 H THR A 85 -5.665 8.561 2.696 1.00 0.00 H new ATOM 0 HA THR A 85 -5.213 10.895 0.861 1.00 0.00 H new ATOM 0 HB THR A 85 -4.233 10.496 3.706 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.050 11.837 4.261 1.00 0.00 H new ATOM 0 HG21 THR A 85 -4.015 12.961 3.599 1.00 0.00 H new ATOM 0 HG22 THR A 85 -3.066 12.179 2.312 1.00 0.00 H new ATOM 0 HG23 THR A 85 -4.627 12.944 1.928 1.00 0.00 H new ATOM 1364 N ILE A 86 -3.139 9.664 0.078 1.00 0.00 N ATOM 1365 CA ILE A 86 -1.828 9.086 -0.315 1.00 0.00 C ATOM 1366 C ILE A 86 -0.722 10.116 -0.074 1.00 0.00 C ATOM 1367 O ILE A 86 -0.706 11.180 -0.661 1.00 0.00 O ATOM 1368 CB ILE A 86 -1.903 8.655 -1.793 1.00 0.00 C ATOM 1369 CG1 ILE A 86 -2.141 7.141 -1.869 1.00 0.00 C ATOM 1370 CG2 ILE A 86 -0.602 8.989 -2.533 1.00 0.00 C ATOM 1371 CD1 ILE A 86 -3.220 6.707 -0.867 1.00 0.00 C ATOM 0 H ILE A 86 -3.695 10.044 -0.689 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.594 8.208 0.287 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.723 9.196 -2.265 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.445 6.867 -2.879 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.211 6.611 -1.661 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.684 8.674 -3.573 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.426 10.064 -2.492 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.230 8.467 -2.060 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.371 5.630 -0.939 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.901 6.962 0.144 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -4.154 7.221 -1.093 1.00 0.00 H new ATOM 1383 N ILE A 87 0.201 9.802 0.794 1.00 0.00 N ATOM 1384 CA ILE A 87 1.307 10.763 1.084 1.00 0.00 C ATOM 1385 C ILE A 87 2.565 10.354 0.316 1.00 0.00 C ATOM 1386 O ILE A 87 2.935 9.199 0.282 1.00 0.00 O ATOM 1387 CB ILE A 87 1.606 10.765 2.583 1.00 0.00 C ATOM 1388 CG1 ILE A 87 0.290 10.829 3.364 1.00 0.00 C ATOM 1389 CG2 ILE A 87 2.472 11.981 2.924 1.00 0.00 C ATOM 1390 CD1 ILE A 87 0.566 11.236 4.814 1.00 0.00 C ATOM 0 H ILE A 87 0.239 8.925 1.314 1.00 0.00 H new ATOM 0 HA ILE A 87 1.002 11.762 0.772 1.00 0.00 H new ATOM 0 HB ILE A 87 2.140 9.854 2.854 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.386 11.546 2.898 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -0.207 9.859 3.337 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.687 11.986 3.992 1.00 0.00 H new ATOM 0 HG22 ILE A 87 3.407 11.930 2.366 1.00 0.00 H new ATOM 0 HG23 ILE A 87 1.939 12.894 2.657 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.374 11.280 5.365 1.00 0.00 H new ATOM 0 HD12 ILE A 87 1.225 10.503 5.279 1.00 0.00 H new ATOM 0 HD13 ILE A 87 1.043 12.216 4.832 1.00 0.00 H new ATOM 1402 N LEU A 88 3.229 11.299 -0.296 1.00 0.00 N ATOM 1403 CA LEU A 88 4.465 10.969 -1.057 1.00 0.00 C ATOM 1404 C LEU A 88 5.121 12.259 -1.555 1.00 0.00 C ATOM 1405 O LEU A 88 5.324 12.446 -2.739 1.00 0.00 O ATOM 1406 CB LEU A 88 4.106 10.088 -2.255 1.00 0.00 C ATOM 1407 CG LEU A 88 4.222 8.616 -1.864 1.00 0.00 C ATOM 1408 CD1 LEU A 88 2.848 7.952 -1.971 1.00 0.00 C ATOM 1409 CD2 LEU A 88 5.201 7.913 -2.806 1.00 0.00 C ATOM 0 H LEU A 88 2.967 12.285 -0.300 1.00 0.00 H new ATOM 0 HA LEU A 88 5.159 10.436 -0.406 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.092 10.307 -2.589 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.771 10.306 -3.091 1.00 0.00 H new ATOM 0 HG LEU A 88 4.586 8.540 -0.839 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.929 6.901 -1.692 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.149 8.452 -1.301 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.486 8.029 -2.996 1.00 0.00 H new ATOM 0 HD21 LEU A 88 5.284 6.863 -2.527 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.838 7.989 -3.831 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.180 8.386 -2.732 1.00 0.00 H new ATOM 1421 N SER A 89 5.455 13.151 -0.663 1.00 0.00 N ATOM 1422 CA SER A 89 6.097 14.426 -1.090 1.00 0.00 C ATOM 1423 C SER A 89 7.455 14.125 -1.728 1.00 0.00 C ATOM 1424 O SER A 89 7.548 13.140 -2.441 1.00 0.00 O ATOM 1425 CB SER A 89 6.296 15.329 0.127 1.00 0.00 C ATOM 1426 OG SER A 89 5.623 16.563 -0.091 1.00 0.00 O ATOM 1427 OXT SER A 89 8.380 14.885 -1.491 1.00 0.00 O ATOM 0 H SER A 89 5.311 13.052 0.342 1.00 0.00 H new ATOM 0 HA SER A 89 5.458 14.929 -1.816 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.909 14.843 1.023 1.00 0.00 H new ATOM 0 HB3 SER A 89 7.359 15.505 0.294 1.00 0.00 H new ATOM 0 HG SER A 89 5.746 17.145 0.688 1.00 0.00 H new TER 1433 SER A 89