USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 937 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 9 GLN : amide:sc= -1.52 K(o=-3.6,f=-5.8) USER MOD Set 1.2: A 108 HIS :FLIP no HD1:sc= -1.92 F(o=-5.9!,f=-3.6) USER MOD Set 1.3: A 110 LYS NZ :NH3+ 157:sc= -0.133 (180deg=-0.13) USER MOD Set 2.1: A 95 ASN : amide:sc= -2.65! C(o=-3.1!,f=-7!) USER MOD Set 2.2: A 96 SER OG : rot 180:sc= -0.464 USER MOD Set 3.1: A 62 SER OG : rot 159:sc= 0.593 USER MOD Set 3.2: A 64 GLN : amide:sc= -5.86! C(o=-5.3!,f=-6.4!) USER MOD Set 4.1: A 45 SER OG : rot 180:sc= -0.145 USER MOD Set 4.2: A 49 ASN : amide:sc= -4.42 X(o=-4.6,f=-4.3!) USER MOD Set 5.1: A 31 ASN : amide:sc= -8.7! C(o=-8.5!,f=-14!) USER MOD Set 5.2: A 82 SER OG : rot -156:sc= 0.21 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 171:sc=-0.00478 (180deg=-0.0203) USER MOD Single : A 12 CYS SG : rot -16:sc= 0.115 USER MOD Single : A 18 HIS : no HD1:sc= -0.9 X(o=-0.9,f=-0.98) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -158:sc= -0.0517 (180deg=-1.05!) USER MOD Single : A 24 LYS NZ :NH3+ 171:sc= 0.237 (180deg=0.19) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0127 USER MOD Single : A 33 HIS : no HE2:sc= -3.01 K(o=-3,f=-4.6!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot -175:sc= 1.29 USER MOD Single : A 38 ASN : amide:sc= 0.212 X(o=0.21,f=-0.22) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0562 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN :FLIP amide:sc= -1.29 F(o=-3.4!,f=-1.3) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -169:sc= -0.0105 (180deg=-0.104) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN :FLIP amide:sc= 0 F(o=-0.66,f=0) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -110:sc= 0 (180deg=-0.242) USER MOD Single : A 84 CYS SG : rot 180:sc= -1.05 USER MOD Single : A 92 SER OG : rot 47:sc= 0.377 USER MOD Single : A 100 LYS NZ :NH3+ -176:sc= -0.128 (180deg=-0.195) USER MOD Single : A 104 ASN :FLIP amide:sc= -0.187 F(o=-1.3,f=-0.19) USER MOD Single : A 107 MET CE :methyl 154:sc= -12.7! (180deg=-13.8!) USER MOD ----------------------------------------------------------------- ATOM 37 N ILE A 3 10.491 -6.940 0.110 1.00 0.00 N ATOM 38 CA ILE A 3 9.233 -6.162 -0.081 1.00 0.00 C ATOM 39 C ILE A 3 9.126 -5.068 0.986 1.00 0.00 C ATOM 40 O ILE A 3 8.803 -3.933 0.695 1.00 0.00 O ATOM 41 CB ILE A 3 8.110 -7.190 0.079 1.00 0.00 C ATOM 42 CG1 ILE A 3 8.109 -8.132 -1.128 1.00 0.00 C ATOM 43 CG2 ILE A 3 6.760 -6.473 0.162 1.00 0.00 C ATOM 44 CD1 ILE A 3 7.062 -9.229 -0.919 1.00 0.00 C ATOM 0 HA ILE A 3 9.191 -5.663 -1.049 1.00 0.00 H new ATOM 0 HB ILE A 3 8.272 -7.762 0.993 1.00 0.00 H new ATOM 0 HG12 ILE A 3 7.890 -7.574 -2.038 1.00 0.00 H new ATOM 0 HG13 ILE A 3 9.096 -8.576 -1.257 1.00 0.00 H new ATOM 0 HG21 ILE A 3 5.964 -7.209 0.276 1.00 0.00 H new ATOM 0 HG22 ILE A 3 6.758 -5.800 1.019 1.00 0.00 H new ATOM 0 HG23 ILE A 3 6.596 -5.899 -0.750 1.00 0.00 H new ATOM 0 HD11 ILE A 3 7.061 -9.900 -1.778 1.00 0.00 H new ATOM 0 HD12 ILE A 3 7.302 -9.794 -0.018 1.00 0.00 H new ATOM 0 HD13 ILE A 3 6.077 -8.776 -0.812 1.00 0.00 H new ATOM 56 N ALA A 4 9.398 -5.401 2.218 1.00 0.00 N ATOM 57 CA ALA A 4 9.315 -4.381 3.304 1.00 0.00 C ATOM 58 C ALA A 4 10.067 -4.873 4.546 1.00 0.00 C ATOM 59 O ALA A 4 9.558 -5.657 5.321 1.00 0.00 O ATOM 60 CB ALA A 4 7.821 -4.239 3.601 1.00 0.00 C ATOM 0 H ALA A 4 9.674 -6.335 2.521 1.00 0.00 H new ATOM 0 HA ALA A 4 9.764 -3.430 3.016 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.676 -3.504 4.392 1.00 0.00 H new ATOM 0 HB2 ALA A 4 7.301 -3.911 2.701 1.00 0.00 H new ATOM 0 HB3 ALA A 4 7.421 -5.201 3.922 1.00 0.00 H new ATOM 66 N GLN A 5 11.277 -4.419 4.739 1.00 0.00 N ATOM 67 CA GLN A 5 12.059 -4.864 5.928 1.00 0.00 C ATOM 68 C GLN A 5 12.581 -3.654 6.706 1.00 0.00 C ATOM 69 O GLN A 5 13.589 -3.724 7.380 1.00 0.00 O ATOM 70 CB GLN A 5 13.222 -5.674 5.354 1.00 0.00 C ATOM 71 CG GLN A 5 12.674 -6.851 4.545 1.00 0.00 C ATOM 72 CD GLN A 5 12.648 -8.103 5.423 1.00 0.00 C ATOM 73 OE1 GLN A 5 13.676 -8.554 5.889 1.00 0.00 O ATOM 74 NE2 GLN A 5 11.508 -8.688 5.671 1.00 0.00 N ATOM 0 H GLN A 5 11.757 -3.760 4.125 1.00 0.00 H new ATOM 0 HA GLN A 5 11.456 -5.449 6.622 1.00 0.00 H new ATOM 0 HB2 GLN A 5 13.842 -5.041 4.720 1.00 0.00 H new ATOM 0 HB3 GLN A 5 13.858 -6.038 6.160 1.00 0.00 H new ATOM 0 HG2 GLN A 5 11.670 -6.624 4.187 1.00 0.00 H new ATOM 0 HG3 GLN A 5 13.295 -7.023 3.666 1.00 0.00 H new ATOM 0 HE21 GLN A 5 10.645 -8.310 5.280 1.00 0.00 H new ATOM 0 HE22 GLN A 5 11.480 -9.523 6.256 1.00 0.00 H new ATOM 83 N GLY A 6 11.903 -2.543 6.618 1.00 0.00 N ATOM 84 CA GLY A 6 12.361 -1.330 7.353 1.00 0.00 C ATOM 85 C GLY A 6 11.207 -0.334 7.462 1.00 0.00 C ATOM 86 O GLY A 6 11.412 0.857 7.592 1.00 0.00 O ATOM 0 H GLY A 6 11.052 -2.422 6.069 1.00 0.00 H new ATOM 0 HA2 GLY A 6 12.713 -1.605 8.347 1.00 0.00 H new ATOM 0 HA3 GLY A 6 13.202 -0.872 6.833 1.00 0.00 H new ATOM 90 N LYS A 7 9.993 -0.808 7.411 1.00 0.00 N ATOM 91 CA LYS A 7 8.827 0.115 7.512 1.00 0.00 C ATOM 92 C LYS A 7 8.191 0.011 8.900 1.00 0.00 C ATOM 93 O LYS A 7 7.140 0.564 9.155 1.00 0.00 O ATOM 94 CB LYS A 7 7.850 -0.359 6.435 1.00 0.00 C ATOM 95 CG LYS A 7 8.605 -0.598 5.124 1.00 0.00 C ATOM 96 CD LYS A 7 9.038 0.744 4.529 1.00 0.00 C ATOM 97 CE LYS A 7 10.560 0.768 4.373 1.00 0.00 C ATOM 98 NZ LYS A 7 10.807 0.445 2.940 1.00 0.00 N ATOM 0 H LYS A 7 9.758 -1.795 7.304 1.00 0.00 H new ATOM 0 HA LYS A 7 9.112 1.158 7.371 1.00 0.00 H new ATOM 0 HB2 LYS A 7 7.358 -1.277 6.755 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.069 0.386 6.286 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.478 -1.226 5.304 1.00 0.00 H new ATOM 0 HG3 LYS A 7 7.969 -1.132 4.418 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.560 0.895 3.561 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.715 1.561 5.175 1.00 0.00 H new ATOM 0 HE2 LYS A 7 10.968 1.745 4.633 1.00 0.00 H new ATOM 0 HE3 LYS A 7 11.035 0.039 5.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 11.831 0.443 2.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 10.414 -0.493 2.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 10.349 1.160 2.339 1.00 0.00 H new ATOM 112 N GLY A 8 8.819 -0.695 9.800 1.00 0.00 N ATOM 113 CA GLY A 8 8.248 -0.835 11.171 1.00 0.00 C ATOM 114 C GLY A 8 6.983 -1.691 11.110 1.00 0.00 C ATOM 115 O GLY A 8 6.927 -2.776 11.651 1.00 0.00 O ATOM 0 H GLY A 8 9.702 -1.181 9.646 1.00 0.00 H new ATOM 0 HA2 GLY A 8 8.979 -1.294 11.836 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.016 0.147 11.582 1.00 0.00 H new ATOM 119 N GLN A 9 5.967 -1.208 10.450 1.00 0.00 N ATOM 120 CA GLN A 9 4.700 -1.989 10.344 1.00 0.00 C ATOM 121 C GLN A 9 4.072 -1.767 8.968 1.00 0.00 C ATOM 122 O GLN A 9 3.034 -1.151 8.840 1.00 0.00 O ATOM 123 CB GLN A 9 3.797 -1.429 11.443 1.00 0.00 C ATOM 124 CG GLN A 9 3.417 0.014 11.103 1.00 0.00 C ATOM 125 CD GLN A 9 3.198 0.806 12.393 1.00 0.00 C ATOM 126 OE1 GLN A 9 3.549 1.965 12.475 1.00 0.00 O ATOM 127 NE2 GLN A 9 2.628 0.223 13.413 1.00 0.00 N ATOM 0 H GLN A 9 5.958 -0.304 9.978 1.00 0.00 H new ATOM 0 HA GLN A 9 4.858 -3.061 10.458 1.00 0.00 H new ATOM 0 HB2 GLN A 9 2.900 -2.040 11.538 1.00 0.00 H new ATOM 0 HB3 GLN A 9 4.310 -1.465 12.404 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.205 0.478 10.509 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.511 0.029 10.497 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.333 -0.751 13.344 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.478 0.742 14.278 1.00 0.00 H new ATOM 136 N LYS A 10 4.704 -2.254 7.938 1.00 0.00 N ATOM 137 CA LYS A 10 4.161 -2.064 6.560 1.00 0.00 C ATOM 138 C LYS A 10 2.699 -2.512 6.478 1.00 0.00 C ATOM 139 O LYS A 10 2.047 -2.748 7.476 1.00 0.00 O ATOM 140 CB LYS A 10 5.040 -2.939 5.668 1.00 0.00 C ATOM 141 CG LYS A 10 4.838 -4.410 6.034 1.00 0.00 C ATOM 142 CD LYS A 10 6.174 -5.015 6.468 1.00 0.00 C ATOM 143 CE LYS A 10 6.028 -5.633 7.860 1.00 0.00 C ATOM 144 NZ LYS A 10 7.097 -4.994 8.679 1.00 0.00 N ATOM 0 H LYS A 10 5.577 -2.778 7.989 1.00 0.00 H new ATOM 0 HA LYS A 10 4.178 -1.017 6.259 1.00 0.00 H new ATOM 0 HB2 LYS A 10 4.788 -2.777 4.620 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.088 -2.664 5.790 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.108 -4.499 6.838 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.439 -4.957 5.180 1.00 0.00 H new ATOM 0 HD2 LYS A 10 6.490 -5.774 5.753 1.00 0.00 H new ATOM 0 HD3 LYS A 10 6.947 -4.246 6.479 1.00 0.00 H new ATOM 0 HE2 LYS A 10 5.040 -5.437 8.277 1.00 0.00 H new ATOM 0 HE3 LYS A 10 6.150 -6.716 7.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 6.968 -5.249 9.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 8.028 -5.326 8.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 7.043 -3.961 8.576 1.00 0.00 H new ATOM 158 N LEU A 11 2.183 -2.628 5.285 1.00 0.00 N ATOM 159 CA LEU A 11 0.764 -3.056 5.109 1.00 0.00 C ATOM 160 C LEU A 11 0.569 -4.502 5.581 1.00 0.00 C ATOM 161 O LEU A 11 -0.535 -5.011 5.601 1.00 0.00 O ATOM 162 CB LEU A 11 0.514 -2.941 3.602 1.00 0.00 C ATOM 163 CG LEU A 11 -0.978 -2.732 3.337 1.00 0.00 C ATOM 164 CD1 LEU A 11 -1.404 -1.363 3.868 1.00 0.00 C ATOM 165 CD2 LEU A 11 -1.238 -2.797 1.830 1.00 0.00 C ATOM 0 H LEU A 11 2.687 -2.443 4.417 1.00 0.00 H new ATOM 0 HA LEU A 11 0.073 -2.448 5.693 1.00 0.00 H new ATOM 0 HB2 LEU A 11 1.085 -2.108 3.192 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.859 -3.843 3.097 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.551 -3.510 3.841 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.467 -1.214 3.679 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.216 -1.314 4.940 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.833 -0.583 3.363 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.301 -2.648 1.637 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.666 -2.017 1.328 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.933 -3.772 1.450 1.00 0.00 H new ATOM 177 N CYS A 12 1.626 -5.172 5.958 1.00 0.00 N ATOM 178 CA CYS A 12 1.487 -6.583 6.420 1.00 0.00 C ATOM 179 C CYS A 12 1.499 -6.650 7.951 1.00 0.00 C ATOM 180 O CYS A 12 0.907 -7.527 8.547 1.00 0.00 O ATOM 181 CB CYS A 12 2.703 -7.309 5.842 1.00 0.00 C ATOM 182 SG CYS A 12 2.806 -8.972 6.549 1.00 0.00 S ATOM 0 H CYS A 12 2.577 -4.804 5.966 1.00 0.00 H new ATOM 0 HA CYS A 12 0.548 -7.031 6.094 1.00 0.00 H new ATOM 0 HB2 CYS A 12 2.622 -7.368 4.757 1.00 0.00 H new ATOM 0 HB3 CYS A 12 3.613 -6.751 6.064 1.00 0.00 H new ATOM 0 HG CYS A 12 2.049 -9.043 7.604 1.00 0.00 H new ATOM 188 N GLU A 13 2.169 -5.732 8.592 1.00 0.00 N ATOM 189 CA GLU A 13 2.215 -5.753 10.083 1.00 0.00 C ATOM 190 C GLU A 13 0.935 -5.148 10.665 1.00 0.00 C ATOM 191 O GLU A 13 0.226 -5.783 11.421 1.00 0.00 O ATOM 192 CB GLU A 13 3.427 -4.900 10.456 1.00 0.00 C ATOM 193 CG GLU A 13 3.603 -4.900 11.977 1.00 0.00 C ATOM 194 CD GLU A 13 4.226 -6.226 12.418 1.00 0.00 C ATOM 195 OE1 GLU A 13 3.476 -7.148 12.693 1.00 0.00 O ATOM 196 OE2 GLU A 13 5.443 -6.296 12.475 1.00 0.00 O ATOM 0 H GLU A 13 2.685 -4.971 8.151 1.00 0.00 H new ATOM 0 HA GLU A 13 2.293 -6.767 10.476 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.323 -5.293 9.976 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.292 -3.880 10.095 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.239 -4.068 12.280 1.00 0.00 H new ATOM 0 HG3 GLU A 13 2.639 -4.759 12.465 1.00 0.00 H new ATOM 203 N ILE A 14 0.633 -3.925 10.323 1.00 0.00 N ATOM 204 CA ILE A 14 -0.602 -3.285 10.864 1.00 0.00 C ATOM 205 C ILE A 14 -1.771 -4.272 10.827 1.00 0.00 C ATOM 206 O ILE A 14 -2.385 -4.484 9.801 1.00 0.00 O ATOM 207 CB ILE A 14 -0.871 -2.099 9.938 1.00 0.00 C ATOM 208 CG1 ILE A 14 -0.862 -2.575 8.484 1.00 0.00 C ATOM 209 CG2 ILE A 14 0.214 -1.041 10.139 1.00 0.00 C ATOM 210 CD1 ILE A 14 -0.805 -1.365 7.550 1.00 0.00 C ATOM 0 H ILE A 14 1.186 -3.342 9.694 1.00 0.00 H new ATOM 0 HA ILE A 14 -0.484 -2.974 11.902 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.845 -1.668 10.171 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.004 -3.224 8.308 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.755 -3.165 8.278 1.00 0.00 H new ATOM 0 HG21 ILE A 14 0.023 -0.195 9.479 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.205 -0.703 11.175 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.188 -1.470 9.906 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.799 -1.705 6.514 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.677 -0.733 7.719 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.101 -0.793 7.750 1.00 0.00 H new ATOM 222 N GLU A 15 -2.082 -4.874 11.941 1.00 0.00 N ATOM 223 CA GLU A 15 -3.211 -5.848 11.976 1.00 0.00 C ATOM 224 C GLU A 15 -4.526 -5.158 11.604 1.00 0.00 C ATOM 225 O GLU A 15 -5.352 -5.713 10.907 1.00 0.00 O ATOM 226 CB GLU A 15 -3.257 -6.349 13.420 1.00 0.00 C ATOM 227 CG GLU A 15 -2.713 -7.777 13.483 1.00 0.00 C ATOM 228 CD GLU A 15 -3.846 -8.766 13.214 1.00 0.00 C ATOM 229 OE1 GLU A 15 -4.468 -8.656 12.170 1.00 0.00 O ATOM 230 OE2 GLU A 15 -4.075 -9.619 14.056 1.00 0.00 O ATOM 0 H GLU A 15 -1.603 -4.734 12.831 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.072 -6.662 11.265 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.667 -5.695 14.062 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.281 -6.322 13.793 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.919 -7.908 12.747 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.274 -7.968 14.463 1.00 0.00 H new ATOM 237 N ARG A 16 -4.729 -3.952 12.063 1.00 0.00 N ATOM 238 CA ARG A 16 -5.995 -3.234 11.731 1.00 0.00 C ATOM 239 C ARG A 16 -6.070 -2.969 10.227 1.00 0.00 C ATOM 240 O ARG A 16 -7.002 -3.372 9.560 1.00 0.00 O ATOM 241 CB ARG A 16 -5.922 -1.916 12.505 1.00 0.00 C ATOM 242 CG ARG A 16 -7.177 -1.758 13.366 1.00 0.00 C ATOM 243 CD ARG A 16 -6.875 -0.827 14.543 1.00 0.00 C ATOM 244 NE ARG A 16 -7.676 0.399 14.278 1.00 0.00 N ATOM 245 CZ ARG A 16 -8.978 0.359 14.352 1.00 0.00 C ATOM 246 NH1 ARG A 16 -9.569 0.449 15.512 1.00 0.00 N ATOM 247 NH2 ARG A 16 -9.691 0.227 13.267 1.00 0.00 N ATOM 0 H ARG A 16 -4.076 -3.434 12.651 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.880 -3.812 11.998 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -5.032 -1.901 13.134 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -5.836 -1.079 11.812 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -7.993 -1.352 12.768 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -7.504 -2.731 13.733 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -7.156 -1.285 15.491 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -5.811 -0.598 14.603 1.00 0.00 H new ATOM 0 HE ARG A 16 -7.206 1.272 14.038 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -9.013 0.551 16.361 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -10.587 0.418 15.570 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -9.230 0.155 12.360 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -10.709 0.196 13.326 1.00 0.00 H new ATOM 261 N ILE A 17 -5.093 -2.294 9.687 1.00 0.00 N ATOM 262 CA ILE A 17 -5.103 -2.001 8.225 1.00 0.00 C ATOM 263 C ILE A 17 -4.935 -3.298 7.427 1.00 0.00 C ATOM 264 O ILE A 17 -5.617 -3.530 6.446 1.00 0.00 O ATOM 265 CB ILE A 17 -3.911 -1.070 8.007 1.00 0.00 C ATOM 266 CG1 ILE A 17 -4.183 0.271 8.692 1.00 0.00 C ATOM 267 CG2 ILE A 17 -3.700 -0.844 6.509 1.00 0.00 C ATOM 268 CD1 ILE A 17 -3.153 0.502 9.798 1.00 0.00 C ATOM 0 H ILE A 17 -4.286 -1.932 10.196 1.00 0.00 H new ATOM 0 HA ILE A 17 -6.038 -1.549 7.894 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.015 -1.523 8.432 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.135 1.079 7.962 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -5.189 0.279 9.111 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.849 -0.180 6.358 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.506 -1.799 6.021 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.594 -0.392 6.080 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -3.349 1.458 10.284 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.222 -0.300 10.533 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.152 0.513 9.367 1.00 0.00 H new ATOM 280 N HIS A 18 -4.033 -4.145 7.841 1.00 0.00 N ATOM 281 CA HIS A 18 -3.821 -5.426 7.106 1.00 0.00 C ATOM 282 C HIS A 18 -5.092 -6.277 7.151 1.00 0.00 C ATOM 283 O HIS A 18 -5.456 -6.914 6.181 1.00 0.00 O ATOM 284 CB HIS A 18 -2.682 -6.126 7.847 1.00 0.00 C ATOM 285 CG HIS A 18 -2.305 -7.384 7.113 1.00 0.00 C ATOM 286 ND1 HIS A 18 -2.637 -7.592 5.784 1.00 0.00 N ATOM 287 CD2 HIS A 18 -1.625 -8.508 7.510 1.00 0.00 C ATOM 288 CE1 HIS A 18 -2.161 -8.800 5.431 1.00 0.00 C ATOM 289 NE2 HIS A 18 -1.534 -9.401 6.446 1.00 0.00 N ATOM 0 H HIS A 18 -3.434 -4.007 8.655 1.00 0.00 H new ATOM 0 HA HIS A 18 -3.583 -5.264 6.055 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -1.820 -5.463 7.921 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -2.989 -6.364 8.865 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -1.222 -8.674 8.498 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.272 -9.231 4.447 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -1.085 -10.317 6.442 1.00 0.00 H new ATOM 297 N PHE A 19 -5.771 -6.295 8.266 1.00 0.00 N ATOM 298 CA PHE A 19 -7.014 -7.106 8.364 1.00 0.00 C ATOM 299 C PHE A 19 -8.035 -6.626 7.325 1.00 0.00 C ATOM 300 O PHE A 19 -8.430 -7.367 6.447 1.00 0.00 O ATOM 301 CB PHE A 19 -7.529 -6.872 9.786 1.00 0.00 C ATOM 302 CG PHE A 19 -8.985 -7.255 9.860 1.00 0.00 C ATOM 303 CD1 PHE A 19 -9.968 -6.317 9.527 1.00 0.00 C ATOM 304 CD2 PHE A 19 -9.352 -8.547 10.250 1.00 0.00 C ATOM 305 CE1 PHE A 19 -11.317 -6.669 9.584 1.00 0.00 C ATOM 306 CE2 PHE A 19 -10.704 -8.900 10.309 1.00 0.00 C ATOM 307 CZ PHE A 19 -11.688 -7.962 9.975 1.00 0.00 C ATOM 0 H PHE A 19 -5.518 -5.783 9.111 1.00 0.00 H new ATOM 0 HA PHE A 19 -6.840 -8.164 8.169 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -6.950 -7.462 10.496 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -7.402 -5.825 10.063 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.683 -5.320 9.226 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -8.592 -9.271 10.505 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -12.075 -5.944 9.327 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.989 -9.897 10.612 1.00 0.00 H new ATOM 0 HZ PHE A 19 -12.732 -8.235 10.019 1.00 0.00 H new ATOM 317 N PHE A 20 -8.462 -5.394 7.418 1.00 0.00 N ATOM 318 CA PHE A 20 -9.452 -4.878 6.430 1.00 0.00 C ATOM 319 C PHE A 20 -9.051 -5.326 5.026 1.00 0.00 C ATOM 320 O PHE A 20 -9.880 -5.544 4.166 1.00 0.00 O ATOM 321 CB PHE A 20 -9.381 -3.355 6.546 1.00 0.00 C ATOM 322 CG PHE A 20 -10.735 -2.816 6.940 1.00 0.00 C ATOM 323 CD1 PHE A 20 -11.086 -2.724 8.292 1.00 0.00 C ATOM 324 CD2 PHE A 20 -11.640 -2.409 5.952 1.00 0.00 C ATOM 325 CE1 PHE A 20 -12.342 -2.225 8.657 1.00 0.00 C ATOM 326 CE2 PHE A 20 -12.897 -1.910 6.317 1.00 0.00 C ATOM 327 CZ PHE A 20 -13.247 -1.818 7.670 1.00 0.00 C ATOM 0 H PHE A 20 -8.169 -4.727 8.132 1.00 0.00 H new ATOM 0 HA PHE A 20 -10.460 -5.247 6.617 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.635 -3.071 7.288 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -9.068 -2.922 5.596 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -10.388 -3.038 9.054 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -11.369 -2.480 4.909 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -12.613 -2.154 9.700 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -13.596 -1.596 5.556 1.00 0.00 H new ATOM 0 HZ PHE A 20 -14.216 -1.433 7.952 1.00 0.00 H new ATOM 337 N LEU A 21 -7.776 -5.473 4.799 1.00 0.00 N ATOM 338 CA LEU A 21 -7.301 -5.915 3.460 1.00 0.00 C ATOM 339 C LEU A 21 -7.340 -7.444 3.370 1.00 0.00 C ATOM 340 O LEU A 21 -7.480 -8.007 2.302 1.00 0.00 O ATOM 341 CB LEU A 21 -5.861 -5.407 3.359 1.00 0.00 C ATOM 342 CG LEU A 21 -5.815 -4.147 2.491 1.00 0.00 C ATOM 343 CD1 LEU A 21 -6.522 -4.411 1.159 1.00 0.00 C ATOM 344 CD2 LEU A 21 -6.518 -3.001 3.221 1.00 0.00 C ATOM 0 H LEU A 21 -7.041 -5.305 5.486 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.923 -5.530 2.652 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.472 -5.189 4.354 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.223 -6.179 2.929 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.776 -3.878 2.301 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.487 -3.512 0.544 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.022 -5.227 0.637 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.561 -4.682 1.346 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.486 -2.103 2.604 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.556 -3.274 3.412 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.013 -2.809 4.168 1.00 0.00 H new ATOM 356 N SER A 22 -7.208 -8.119 4.482 1.00 0.00 N ATOM 357 CA SER A 22 -7.228 -9.611 4.461 1.00 0.00 C ATOM 358 C SER A 22 -8.601 -10.128 4.017 1.00 0.00 C ATOM 359 O SER A 22 -9.276 -10.828 4.744 1.00 0.00 O ATOM 360 CB SER A 22 -6.942 -10.034 5.900 1.00 0.00 C ATOM 361 OG SER A 22 -6.479 -11.379 5.910 1.00 0.00 O ATOM 0 H SER A 22 -7.087 -7.701 5.404 1.00 0.00 H new ATOM 0 HA SER A 22 -6.498 -10.016 3.760 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.194 -9.376 6.343 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.845 -9.943 6.504 1.00 0.00 H new ATOM 0 HG SER A 22 -6.293 -11.654 6.832 1.00 0.00 H new ATOM 367 N LYS A 23 -9.013 -9.793 2.826 1.00 0.00 N ATOM 368 CA LYS A 23 -10.339 -10.270 2.334 1.00 0.00 C ATOM 369 C LYS A 23 -10.190 -10.919 0.953 1.00 0.00 C ATOM 370 O LYS A 23 -10.986 -11.749 0.560 1.00 0.00 O ATOM 371 CB LYS A 23 -11.207 -9.014 2.249 1.00 0.00 C ATOM 372 CG LYS A 23 -11.990 -8.846 3.553 1.00 0.00 C ATOM 373 CD LYS A 23 -12.976 -7.686 3.413 1.00 0.00 C ATOM 374 CE LYS A 23 -13.421 -7.220 4.803 1.00 0.00 C ATOM 375 NZ LYS A 23 -13.725 -8.472 5.550 1.00 0.00 N ATOM 0 H LYS A 23 -8.491 -9.210 2.172 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.777 -11.022 2.991 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -10.582 -8.139 2.072 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -11.895 -9.090 1.407 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -12.526 -9.766 3.788 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -11.304 -8.656 4.379 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -12.509 -6.862 2.874 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -13.841 -7.999 2.829 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -12.637 -6.646 5.297 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -14.297 -6.575 4.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.368 -8.258 6.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -14.178 -9.156 4.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.842 -8.877 5.922 1.00 0.00 H new ATOM 389 N LYS A 24 -9.178 -10.549 0.215 1.00 0.00 N ATOM 390 CA LYS A 24 -8.982 -11.148 -1.138 1.00 0.00 C ATOM 391 C LYS A 24 -10.224 -10.917 -2.001 1.00 0.00 C ATOM 392 O LYS A 24 -11.192 -11.647 -1.922 1.00 0.00 O ATOM 393 CB LYS A 24 -8.769 -12.640 -0.883 1.00 0.00 C ATOM 394 CG LYS A 24 -7.647 -12.826 0.140 1.00 0.00 C ATOM 395 CD LYS A 24 -8.225 -13.406 1.432 1.00 0.00 C ATOM 396 CE LYS A 24 -8.927 -14.731 1.128 1.00 0.00 C ATOM 397 NZ LYS A 24 -10.288 -14.588 1.716 1.00 0.00 N ATOM 0 H LYS A 24 -8.479 -9.859 0.490 1.00 0.00 H new ATOM 0 HA LYS A 24 -8.141 -10.705 -1.671 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -9.690 -13.092 -0.515 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.515 -13.147 -1.814 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.883 -13.492 -0.260 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.163 -11.871 0.342 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.429 -13.563 2.161 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.930 -12.702 1.876 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.978 -14.914 0.055 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.392 -15.572 1.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.880 -15.390 1.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.218 -14.574 2.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.717 -13.700 1.386 1.00 0.00 H new ATOM 411 N LYS A 25 -10.203 -9.906 -2.826 1.00 0.00 N ATOM 412 CA LYS A 25 -11.383 -9.627 -3.693 1.00 0.00 C ATOM 413 C LYS A 25 -10.971 -9.653 -5.169 1.00 0.00 C ATOM 414 O LYS A 25 -9.924 -10.156 -5.523 1.00 0.00 O ATOM 415 CB LYS A 25 -11.844 -8.226 -3.288 1.00 0.00 C ATOM 416 CG LYS A 25 -13.306 -8.276 -2.842 1.00 0.00 C ATOM 417 CD LYS A 25 -13.433 -9.167 -1.604 1.00 0.00 C ATOM 418 CE LYS A 25 -14.675 -8.758 -0.808 1.00 0.00 C ATOM 419 NZ LYS A 25 -15.130 -10.005 -0.131 1.00 0.00 N ATOM 0 H LYS A 25 -9.420 -9.261 -2.937 1.00 0.00 H new ATOM 0 HA LYS A 25 -12.173 -10.368 -3.572 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.219 -7.846 -2.479 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.732 -7.539 -4.127 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.663 -7.271 -2.618 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -13.930 -8.664 -3.647 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.506 -10.213 -1.901 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.542 -9.074 -0.983 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -14.440 -7.979 -0.083 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -15.450 -8.360 -1.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -15.979 -9.803 0.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -15.354 -10.726 -0.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.375 -10.357 0.492 1.00 0.00 H new ATOM 433 N THR A 26 -11.788 -9.110 -6.028 1.00 0.00 N ATOM 434 CA THR A 26 -11.447 -9.096 -7.481 1.00 0.00 C ATOM 435 C THR A 26 -11.407 -7.655 -7.992 1.00 0.00 C ATOM 436 O THR A 26 -10.427 -7.210 -8.555 1.00 0.00 O ATOM 437 CB THR A 26 -12.575 -9.873 -8.163 1.00 0.00 C ATOM 438 OG1 THR A 26 -13.827 -9.416 -7.669 1.00 0.00 O ATOM 439 CG2 THR A 26 -12.423 -11.366 -7.869 1.00 0.00 C ATOM 0 H THR A 26 -12.678 -8.674 -5.788 1.00 0.00 H new ATOM 0 HA THR A 26 -10.471 -9.538 -7.682 1.00 0.00 H new ATOM 0 HB THR A 26 -12.527 -9.712 -9.240 1.00 0.00 H new ATOM 0 HG1 THR A 26 -14.551 -9.911 -8.106 1.00 0.00 H new ATOM 0 HG21 THR A 26 -13.228 -11.917 -8.356 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.463 -11.716 -8.248 1.00 0.00 H new ATOM 0 HG23 THR A 26 -12.470 -11.531 -6.793 1.00 0.00 H new ATOM 447 N ASP A 27 -12.468 -6.920 -7.795 1.00 0.00 N ATOM 448 CA ASP A 27 -12.493 -5.506 -8.261 1.00 0.00 C ATOM 449 C ASP A 27 -11.407 -4.703 -7.545 1.00 0.00 C ATOM 450 O ASP A 27 -10.508 -4.164 -8.161 1.00 0.00 O ATOM 451 CB ASP A 27 -13.883 -4.991 -7.883 1.00 0.00 C ATOM 452 CG ASP A 27 -13.905 -3.464 -7.974 1.00 0.00 C ATOM 453 OD1 ASP A 27 -13.600 -2.949 -9.037 1.00 0.00 O ATOM 454 OD2 ASP A 27 -14.226 -2.837 -6.978 1.00 0.00 O ATOM 0 H ASP A 27 -13.319 -7.239 -7.331 1.00 0.00 H new ATOM 0 HA ASP A 27 -12.304 -5.415 -9.331 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -14.633 -5.416 -8.549 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -14.138 -5.309 -6.872 1.00 0.00 H new ATOM 459 N GLU A 28 -11.476 -4.629 -6.243 1.00 0.00 N ATOM 460 CA GLU A 28 -10.443 -3.873 -5.483 1.00 0.00 C ATOM 461 C GLU A 28 -9.056 -4.421 -5.821 1.00 0.00 C ATOM 462 O GLU A 28 -8.159 -3.688 -6.184 1.00 0.00 O ATOM 463 CB GLU A 28 -10.775 -4.118 -4.011 1.00 0.00 C ATOM 464 CG GLU A 28 -11.896 -3.174 -3.574 1.00 0.00 C ATOM 465 CD GLU A 28 -13.247 -3.754 -3.999 1.00 0.00 C ATOM 466 OE1 GLU A 28 -13.269 -4.895 -4.428 1.00 0.00 O ATOM 467 OE2 GLU A 28 -14.234 -3.046 -3.890 1.00 0.00 O ATOM 0 H GLU A 28 -12.204 -5.060 -5.674 1.00 0.00 H new ATOM 0 HA GLU A 28 -10.439 -2.810 -5.723 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.080 -5.154 -3.864 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -9.889 -3.957 -3.396 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.871 -3.038 -2.493 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.753 -2.191 -4.022 1.00 0.00 H new ATOM 474 N LEU A 29 -8.880 -5.708 -5.709 1.00 0.00 N ATOM 475 CA LEU A 29 -7.556 -6.310 -6.030 1.00 0.00 C ATOM 476 C LEU A 29 -7.091 -5.844 -7.410 1.00 0.00 C ATOM 477 O LEU A 29 -5.966 -5.427 -7.593 1.00 0.00 O ATOM 478 CB LEU A 29 -7.802 -7.819 -6.036 1.00 0.00 C ATOM 479 CG LEU A 29 -6.612 -8.543 -5.405 1.00 0.00 C ATOM 480 CD1 LEU A 29 -5.306 -8.042 -6.032 1.00 0.00 C ATOM 481 CD2 LEU A 29 -6.592 -8.272 -3.899 1.00 0.00 C ATOM 0 H LEU A 29 -9.596 -6.369 -5.409 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.785 -6.022 -5.315 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.713 -8.050 -5.484 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.951 -8.168 -7.058 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.707 -9.614 -5.583 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.462 -8.561 -5.578 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.319 -8.238 -7.104 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.207 -6.970 -5.860 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.744 -8.788 -3.448 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.500 -7.200 -3.723 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.517 -8.635 -3.452 1.00 0.00 H new ATOM 493 N ARG A 30 -7.955 -5.917 -8.385 1.00 0.00 N ATOM 494 CA ARG A 30 -7.575 -5.485 -9.758 1.00 0.00 C ATOM 495 C ARG A 30 -6.909 -4.108 -9.718 1.00 0.00 C ATOM 496 O ARG A 30 -5.710 -3.984 -9.860 1.00 0.00 O ATOM 497 CB ARG A 30 -8.895 -5.419 -10.529 1.00 0.00 C ATOM 498 CG ARG A 30 -9.021 -6.644 -11.437 1.00 0.00 C ATOM 499 CD ARG A 30 -9.692 -6.237 -12.750 1.00 0.00 C ATOM 500 NE ARG A 30 -10.323 -7.484 -13.264 1.00 0.00 N ATOM 501 CZ ARG A 30 -11.621 -7.618 -13.230 1.00 0.00 C ATOM 502 NH1 ARG A 30 -12.365 -7.003 -14.109 1.00 0.00 N ATOM 503 NH2 ARG A 30 -12.175 -8.371 -12.319 1.00 0.00 N ATOM 0 H ARG A 30 -8.911 -6.259 -8.288 1.00 0.00 H new ATOM 0 HA ARG A 30 -6.862 -6.167 -10.222 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.733 -5.382 -9.833 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.935 -4.507 -11.124 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.036 -7.066 -11.635 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.606 -7.419 -10.942 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.435 -5.457 -12.588 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -8.964 -5.842 -13.459 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.742 -8.232 -13.642 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.932 -6.417 -14.823 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -13.379 -7.108 -14.082 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.594 -8.854 -11.634 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -13.189 -8.476 -12.292 1.00 0.00 H new ATOM 517 N ASN A 31 -7.679 -3.072 -9.534 1.00 0.00 N ATOM 518 CA ASN A 31 -7.095 -1.697 -9.494 1.00 0.00 C ATOM 519 C ASN A 31 -5.884 -1.638 -8.554 1.00 0.00 C ATOM 520 O ASN A 31 -4.913 -0.959 -8.822 1.00 0.00 O ATOM 521 CB ASN A 31 -8.219 -0.807 -8.967 1.00 0.00 C ATOM 522 CG ASN A 31 -8.704 -1.341 -7.619 1.00 0.00 C ATOM 523 OD1 ASN A 31 -9.738 -1.975 -7.539 1.00 0.00 O ATOM 524 ND2 ASN A 31 -7.996 -1.111 -6.547 1.00 0.00 N ATOM 0 H ASN A 31 -8.690 -3.116 -9.409 1.00 0.00 H new ATOM 0 HA ASN A 31 -6.740 -1.382 -10.475 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -7.865 0.218 -8.858 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -9.044 -0.785 -9.679 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -8.310 -1.463 -5.643 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -7.128 -0.579 -6.613 1.00 0.00 H new ATOM 531 N LEU A 32 -5.934 -2.338 -7.453 1.00 0.00 N ATOM 532 CA LEU A 32 -4.788 -2.308 -6.500 1.00 0.00 C ATOM 533 C LEU A 32 -3.567 -2.994 -7.115 1.00 0.00 C ATOM 534 O LEU A 32 -2.620 -2.351 -7.521 1.00 0.00 O ATOM 535 CB LEU A 32 -5.272 -3.084 -5.274 1.00 0.00 C ATOM 536 CG LEU A 32 -5.573 -2.108 -4.136 1.00 0.00 C ATOM 537 CD1 LEU A 32 -6.206 -2.865 -2.967 1.00 0.00 C ATOM 538 CD2 LEU A 32 -4.272 -1.451 -3.670 1.00 0.00 C ATOM 0 H LEU A 32 -6.717 -2.928 -7.173 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.489 -1.290 -6.250 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.166 -3.656 -5.522 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.512 -3.800 -4.961 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.263 -1.342 -4.489 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.420 -2.169 -2.156 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.133 -3.334 -3.297 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.516 -3.632 -2.614 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.486 -0.755 -2.859 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.583 -2.218 -3.317 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.819 -0.911 -4.501 1.00 0.00 H new ATOM 550 N HIS A 33 -3.582 -4.296 -7.179 1.00 0.00 N ATOM 551 CA HIS A 33 -2.421 -5.027 -7.761 1.00 0.00 C ATOM 552 C HIS A 33 -2.128 -4.528 -9.179 1.00 0.00 C ATOM 553 O HIS A 33 -1.028 -4.659 -9.678 1.00 0.00 O ATOM 554 CB HIS A 33 -2.850 -6.494 -7.787 1.00 0.00 C ATOM 555 CG HIS A 33 -2.184 -7.233 -6.658 1.00 0.00 C ATOM 556 ND1 HIS A 33 -1.372 -8.336 -6.871 1.00 0.00 N ATOM 557 CD2 HIS A 33 -2.203 -7.040 -5.299 1.00 0.00 C ATOM 558 CE1 HIS A 33 -0.941 -8.761 -5.669 1.00 0.00 C ATOM 559 NE2 HIS A 33 -1.417 -8.005 -4.676 1.00 0.00 N ATOM 0 H HIS A 33 -4.348 -4.886 -6.854 1.00 0.00 H new ATOM 0 HA HIS A 33 -1.510 -4.877 -7.182 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -3.934 -6.568 -7.695 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -2.579 -6.946 -8.741 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -1.143 -8.750 -7.774 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -2.746 -6.257 -4.790 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.289 -9.610 -5.525 1.00 0.00 H new ATOM 567 N LYS A 34 -3.105 -3.962 -9.835 1.00 0.00 N ATOM 568 CA LYS A 34 -2.880 -3.465 -11.224 1.00 0.00 C ATOM 569 C LYS A 34 -1.859 -2.327 -11.229 1.00 0.00 C ATOM 570 O LYS A 34 -0.963 -2.289 -12.048 1.00 0.00 O ATOM 571 CB LYS A 34 -4.247 -2.963 -11.696 1.00 0.00 C ATOM 572 CG LYS A 34 -4.074 -2.091 -12.940 1.00 0.00 C ATOM 573 CD LYS A 34 -4.130 -0.615 -12.541 1.00 0.00 C ATOM 574 CE LYS A 34 -5.580 -0.127 -12.590 1.00 0.00 C ATOM 575 NZ LYS A 34 -5.507 1.236 -13.185 1.00 0.00 N ATOM 0 H LYS A 34 -4.047 -3.822 -9.471 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.484 -4.244 -11.876 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.898 -3.808 -11.920 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.729 -2.391 -10.903 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.122 -2.312 -13.423 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.858 -2.313 -13.664 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.724 -0.483 -11.538 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.512 -0.021 -13.215 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.199 -0.789 -13.195 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.021 -0.100 -11.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.464 1.637 -13.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.917 1.846 -12.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.089 1.178 -14.136 1.00 0.00 H new ATOM 589 N LEU A 35 -1.982 -1.400 -10.322 1.00 0.00 N ATOM 590 CA LEU A 35 -1.008 -0.273 -10.281 1.00 0.00 C ATOM 591 C LEU A 35 -0.071 -0.444 -9.086 1.00 0.00 C ATOM 592 O LEU A 35 1.126 -0.260 -9.188 1.00 0.00 O ATOM 593 CB LEU A 35 -1.861 0.985 -10.117 1.00 0.00 C ATOM 594 CG LEU A 35 -0.956 2.180 -9.808 1.00 0.00 C ATOM 595 CD1 LEU A 35 -0.809 3.049 -11.058 1.00 0.00 C ATOM 596 CD2 LEU A 35 -1.579 3.011 -8.683 1.00 0.00 C ATOM 0 H LEU A 35 -2.711 -1.373 -9.609 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.387 -0.226 -11.175 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.430 1.172 -11.028 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.583 0.845 -9.313 1.00 0.00 H new ATOM 0 HG LEU A 35 0.025 1.821 -9.499 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.164 3.899 -10.836 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.368 2.459 -11.861 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.790 3.409 -11.369 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.936 3.863 -8.461 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.560 3.368 -8.995 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.685 2.394 -7.791 1.00 0.00 H new ATOM 608 N LEU A 36 -0.610 -0.794 -7.953 1.00 0.00 N ATOM 609 CA LEU A 36 0.238 -0.979 -6.744 1.00 0.00 C ATOM 610 C LEU A 36 1.322 -2.027 -7.004 1.00 0.00 C ATOM 611 O LEU A 36 2.497 -1.773 -6.829 1.00 0.00 O ATOM 612 CB LEU A 36 -0.722 -1.461 -5.658 1.00 0.00 C ATOM 613 CG LEU A 36 -0.076 -1.261 -4.288 1.00 0.00 C ATOM 614 CD1 LEU A 36 -0.125 0.221 -3.912 1.00 0.00 C ATOM 615 CD2 LEU A 36 -0.837 -2.078 -3.241 1.00 0.00 C ATOM 0 H LEU A 36 -1.606 -0.961 -7.812 1.00 0.00 H new ATOM 0 HA LEU A 36 0.751 -0.061 -6.460 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.660 -0.909 -5.715 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.962 -2.513 -5.810 1.00 0.00 H new ATOM 0 HG LEU A 36 0.962 -1.592 -4.324 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.336 0.364 -2.935 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.417 0.804 -4.657 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.163 0.553 -3.876 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.377 -1.936 -2.263 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.875 -1.747 -3.205 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.802 -3.134 -3.508 1.00 0.00 H new ATOM 627 N TYR A 37 0.938 -3.208 -7.407 1.00 0.00 N ATOM 628 CA TYR A 37 1.952 -4.270 -7.660 1.00 0.00 C ATOM 629 C TYR A 37 2.127 -4.503 -9.161 1.00 0.00 C ATOM 630 O TYR A 37 2.938 -5.304 -9.581 1.00 0.00 O ATOM 631 CB TYR A 37 1.389 -5.521 -6.987 1.00 0.00 C ATOM 632 CG TYR A 37 2.318 -5.954 -5.878 1.00 0.00 C ATOM 633 CD1 TYR A 37 3.603 -6.420 -6.183 1.00 0.00 C ATOM 634 CD2 TYR A 37 1.895 -5.888 -4.547 1.00 0.00 C ATOM 635 CE1 TYR A 37 4.463 -6.821 -5.154 1.00 0.00 C ATOM 636 CE2 TYR A 37 2.755 -6.288 -3.518 1.00 0.00 C ATOM 637 CZ TYR A 37 4.040 -6.754 -3.822 1.00 0.00 C ATOM 638 OH TYR A 37 4.889 -7.147 -2.807 1.00 0.00 O ATOM 0 H TYR A 37 -0.031 -3.482 -7.571 1.00 0.00 H new ATOM 0 HA TYR A 37 2.933 -3.999 -7.270 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.396 -5.316 -6.586 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.279 -6.322 -7.718 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.930 -6.470 -7.211 1.00 0.00 H new ATOM 0 HD2 TYR A 37 0.904 -5.528 -4.313 1.00 0.00 H new ATOM 0 HE1 TYR A 37 5.453 -7.182 -5.388 1.00 0.00 H new ATOM 0 HE2 TYR A 37 2.428 -6.237 -2.490 1.00 0.00 H new ATOM 0 HH TYR A 37 4.414 -7.112 -1.951 1.00 0.00 H new ATOM 648 N ASN A 38 1.377 -3.813 -9.973 1.00 0.00 N ATOM 649 CA ASN A 38 1.513 -4.010 -11.445 1.00 0.00 C ATOM 650 C ASN A 38 1.533 -5.507 -11.774 1.00 0.00 C ATOM 651 O ASN A 38 2.350 -5.970 -12.546 1.00 0.00 O ATOM 652 CB ASN A 38 2.849 -3.363 -11.807 1.00 0.00 C ATOM 653 CG ASN A 38 2.892 -3.080 -13.310 1.00 0.00 C ATOM 654 OD1 ASN A 38 2.594 -1.984 -13.742 1.00 0.00 O ATOM 655 ND2 ASN A 38 3.251 -4.030 -14.130 1.00 0.00 N ATOM 0 H ASN A 38 0.680 -3.126 -9.686 1.00 0.00 H new ATOM 0 HA ASN A 38 0.685 -3.572 -12.002 1.00 0.00 H new ATOM 0 HB2 ASN A 38 2.979 -2.436 -11.248 1.00 0.00 H new ATOM 0 HB3 ASN A 38 3.671 -4.022 -11.527 1.00 0.00 H new ATOM 0 HD21 ASN A 38 3.282 -3.853 -15.134 1.00 0.00 H new ATOM 0 HD22 ASN A 38 3.501 -4.950 -13.767 1.00 0.00 H new ATOM 662 N ARG A 39 0.644 -6.265 -11.193 1.00 0.00 N ATOM 663 CA ARG A 39 0.616 -7.731 -11.470 1.00 0.00 C ATOM 664 C ARG A 39 -0.828 -8.214 -11.632 1.00 0.00 C ATOM 665 O ARG A 39 -1.762 -7.463 -11.428 1.00 0.00 O ATOM 666 CB ARG A 39 1.263 -8.375 -10.242 1.00 0.00 C ATOM 667 CG ARG A 39 2.497 -9.169 -10.675 1.00 0.00 C ATOM 668 CD ARG A 39 3.756 -8.520 -10.095 1.00 0.00 C ATOM 669 NE ARG A 39 4.797 -9.584 -10.157 1.00 0.00 N ATOM 670 CZ ARG A 39 5.117 -10.119 -11.304 1.00 0.00 C ATOM 671 NH1 ARG A 39 4.431 -11.127 -11.768 1.00 0.00 N ATOM 672 NH2 ARG A 39 6.123 -9.645 -11.986 1.00 0.00 N ATOM 0 H ARG A 39 -0.065 -5.934 -10.538 1.00 0.00 H new ATOM 0 HA ARG A 39 1.139 -7.988 -12.391 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.545 -7.607 -9.521 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.550 -9.032 -9.744 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.417 -10.201 -10.332 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.559 -9.199 -11.763 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.051 -7.644 -10.673 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.593 -8.186 -9.070 1.00 0.00 H new ATOM 0 HE ARG A 39 5.260 -9.895 -9.303 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.644 -11.497 -11.235 1.00 0.00 H new ATOM 0 HH12 ARG A 39 4.681 -11.545 -12.664 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.659 -8.857 -11.623 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.374 -10.063 -12.882 1.00 0.00 H new ATOM 686 N PRO A 40 -0.963 -9.462 -11.997 1.00 0.00 N ATOM 687 CA PRO A 40 -2.308 -10.058 -12.191 1.00 0.00 C ATOM 688 C PRO A 40 -2.983 -10.299 -10.837 1.00 0.00 C ATOM 689 O PRO A 40 -4.120 -9.931 -10.626 1.00 0.00 O ATOM 690 CB PRO A 40 -2.015 -11.376 -12.902 1.00 0.00 C ATOM 691 CG PRO A 40 -0.609 -11.721 -12.525 1.00 0.00 C ATOM 692 CD PRO A 40 0.112 -10.425 -12.260 1.00 0.00 C ATOM 0 HA PRO A 40 -2.986 -9.419 -12.757 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.709 -12.155 -12.588 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -2.119 -11.272 -13.982 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.593 -12.358 -11.641 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.121 -12.276 -13.326 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.786 -10.511 -11.408 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.716 -10.123 -13.116 1.00 0.00 H new ATOM 700 N GLY A 41 -2.287 -10.910 -9.916 1.00 0.00 N ATOM 701 CA GLY A 41 -2.888 -11.167 -8.577 1.00 0.00 C ATOM 702 C GLY A 41 -3.084 -12.671 -8.372 1.00 0.00 C ATOM 703 O GLY A 41 -3.752 -13.332 -9.143 1.00 0.00 O ATOM 0 H GLY A 41 -1.330 -11.242 -10.033 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.242 -10.766 -7.796 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.845 -10.652 -8.494 1.00 0.00 H new ATOM 707 N THR A 42 -2.511 -13.213 -7.332 1.00 0.00 N ATOM 708 CA THR A 42 -2.664 -14.670 -7.061 1.00 0.00 C ATOM 709 C THR A 42 -2.855 -14.893 -5.560 1.00 0.00 C ATOM 710 O THR A 42 -2.331 -14.158 -4.750 1.00 0.00 O ATOM 711 CB THR A 42 -1.354 -15.301 -7.538 1.00 0.00 C ATOM 712 OG1 THR A 42 -1.069 -14.856 -8.858 1.00 0.00 O ATOM 713 CG2 THR A 42 -1.483 -16.825 -7.529 1.00 0.00 C ATOM 0 H THR A 42 -1.941 -12.706 -6.655 1.00 0.00 H new ATOM 0 HA THR A 42 -3.527 -15.104 -7.566 1.00 0.00 H new ATOM 0 HB THR A 42 -0.545 -15.005 -6.870 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.229 -15.258 -9.165 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.549 -17.271 -7.869 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.700 -17.166 -6.517 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.292 -17.126 -8.195 1.00 0.00 H new ATOM 721 N VAL A 43 -3.606 -15.894 -5.183 1.00 0.00 N ATOM 722 CA VAL A 43 -3.834 -16.155 -3.729 1.00 0.00 C ATOM 723 C VAL A 43 -2.552 -15.905 -2.927 1.00 0.00 C ATOM 724 O VAL A 43 -2.560 -15.219 -1.921 1.00 0.00 O ATOM 725 CB VAL A 43 -4.235 -17.628 -3.653 1.00 0.00 C ATOM 726 CG1 VAL A 43 -4.399 -18.039 -2.187 1.00 0.00 C ATOM 727 CG2 VAL A 43 -5.561 -17.833 -4.389 1.00 0.00 C ATOM 0 H VAL A 43 -4.072 -16.543 -5.818 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.596 -15.498 -3.310 1.00 0.00 H new ATOM 0 HB VAL A 43 -3.461 -18.239 -4.117 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.685 -19.089 -2.133 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.456 -17.892 -1.660 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.173 -17.428 -1.722 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.848 -18.883 -4.336 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.334 -17.221 -3.924 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.447 -17.541 -5.433 1.00 0.00 H new ATOM 737 N SER A 44 -1.450 -16.449 -3.369 1.00 0.00 N ATOM 738 CA SER A 44 -0.168 -16.241 -2.636 1.00 0.00 C ATOM 739 C SER A 44 0.251 -14.772 -2.717 1.00 0.00 C ATOM 740 O SER A 44 0.834 -14.230 -1.799 1.00 0.00 O ATOM 741 CB SER A 44 0.850 -17.128 -3.353 1.00 0.00 C ATOM 742 OG SER A 44 2.161 -16.763 -2.943 1.00 0.00 O ATOM 0 H SER A 44 -1.382 -17.028 -4.206 1.00 0.00 H new ATOM 0 HA SER A 44 -0.252 -16.492 -1.579 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.663 -18.177 -3.122 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.750 -17.017 -4.433 1.00 0.00 H new ATOM 0 HG SER A 44 2.816 -17.331 -3.400 1.00 0.00 H new ATOM 748 N SER A 45 -0.053 -14.122 -3.806 1.00 0.00 N ATOM 749 CA SER A 45 0.315 -12.686 -3.946 1.00 0.00 C ATOM 750 C SER A 45 -0.787 -11.824 -3.337 1.00 0.00 C ATOM 751 O SER A 45 -0.563 -11.073 -2.411 1.00 0.00 O ATOM 752 CB SER A 45 0.415 -12.445 -5.452 1.00 0.00 C ATOM 753 OG SER A 45 1.711 -11.955 -5.766 1.00 0.00 O ATOM 0 H SER A 45 -0.541 -14.524 -4.606 1.00 0.00 H new ATOM 0 HA SER A 45 1.247 -12.437 -3.439 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.223 -13.371 -5.993 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.343 -11.729 -5.768 1.00 0.00 H new ATOM 0 HG SER A 45 1.777 -11.801 -6.732 1.00 0.00 H new ATOM 759 N LEU A 46 -1.979 -11.947 -3.855 1.00 0.00 N ATOM 760 CA LEU A 46 -3.136 -11.166 -3.331 1.00 0.00 C ATOM 761 C LEU A 46 -2.992 -10.928 -1.825 1.00 0.00 C ATOM 762 O LEU A 46 -2.927 -9.804 -1.366 1.00 0.00 O ATOM 763 CB LEU A 46 -4.345 -12.057 -3.611 1.00 0.00 C ATOM 764 CG LEU A 46 -4.560 -12.172 -5.120 1.00 0.00 C ATOM 765 CD1 LEU A 46 -5.836 -12.970 -5.395 1.00 0.00 C ATOM 766 CD2 LEU A 46 -4.696 -10.773 -5.719 1.00 0.00 C ATOM 0 H LEU A 46 -2.203 -12.567 -4.633 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.217 -10.183 -3.795 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.188 -13.046 -3.180 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.234 -11.640 -3.138 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.709 -12.682 -5.572 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.989 -13.052 -6.471 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.741 -13.967 -4.965 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.688 -12.460 -4.945 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.849 -10.851 -6.795 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.548 -10.265 -5.267 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.788 -10.203 -5.523 1.00 0.00 H new ATOM 778 N LYS A 47 -2.939 -11.981 -1.056 1.00 0.00 N ATOM 779 CA LYS A 47 -2.800 -11.819 0.420 1.00 0.00 C ATOM 780 C LYS A 47 -1.396 -11.314 0.777 1.00 0.00 C ATOM 781 O LYS A 47 -1.238 -10.375 1.532 1.00 0.00 O ATOM 782 CB LYS A 47 -3.028 -13.217 0.994 1.00 0.00 C ATOM 783 CG LYS A 47 -4.524 -13.538 0.984 1.00 0.00 C ATOM 784 CD LYS A 47 -4.738 -14.950 0.439 1.00 0.00 C ATOM 785 CE LYS A 47 -5.617 -15.745 1.407 1.00 0.00 C ATOM 786 NZ LYS A 47 -4.898 -17.034 1.608 1.00 0.00 N ATOM 0 H LYS A 47 -2.986 -12.945 -1.385 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.506 -11.091 0.820 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.483 -13.956 0.406 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.641 -13.271 2.012 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.930 -13.460 1.992 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.058 -12.814 0.369 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.209 -14.904 -0.543 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.778 -15.450 0.309 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.747 -15.214 2.350 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.612 -15.908 0.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.439 -17.635 2.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.795 -17.520 0.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.957 -16.848 2.009 1.00 0.00 H new ATOM 800 N LYS A 48 -0.376 -11.935 0.247 1.00 0.00 N ATOM 801 CA LYS A 48 1.015 -11.494 0.567 1.00 0.00 C ATOM 802 C LYS A 48 1.287 -10.099 -0.008 1.00 0.00 C ATOM 803 O LYS A 48 1.441 -9.141 0.720 1.00 0.00 O ATOM 804 CB LYS A 48 1.922 -12.529 -0.096 1.00 0.00 C ATOM 805 CG LYS A 48 3.330 -12.421 0.494 1.00 0.00 C ATOM 806 CD LYS A 48 3.737 -13.768 1.092 1.00 0.00 C ATOM 807 CE LYS A 48 4.409 -13.544 2.448 1.00 0.00 C ATOM 808 NZ LYS A 48 4.145 -14.793 3.216 1.00 0.00 N ATOM 0 H LYS A 48 -0.444 -12.727 -0.392 1.00 0.00 H new ATOM 0 HA LYS A 48 1.183 -11.428 1.642 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.525 -13.532 0.062 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.953 -12.365 -1.173 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.038 -12.126 -0.280 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.356 -11.648 1.262 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.860 -14.405 1.210 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.419 -14.286 0.418 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.479 -13.368 2.335 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.995 -12.673 2.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.575 -14.718 4.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.119 -14.930 3.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.557 -15.604 2.712 1.00 0.00 H new ATOM 822 N ASN A 49 1.358 -9.986 -1.307 1.00 0.00 N ATOM 823 CA ASN A 49 1.630 -8.657 -1.931 1.00 0.00 C ATOM 824 C ASN A 49 0.863 -7.553 -1.200 1.00 0.00 C ATOM 825 O ASN A 49 1.450 -6.648 -0.641 1.00 0.00 O ATOM 826 CB ASN A 49 1.139 -8.787 -3.373 1.00 0.00 C ATOM 827 CG ASN A 49 2.262 -9.350 -4.246 1.00 0.00 C ATOM 828 OD1 ASN A 49 2.489 -8.880 -5.343 1.00 0.00 O ATOM 829 ND2 ASN A 49 2.979 -10.347 -3.803 1.00 0.00 N ATOM 0 H ASN A 49 1.239 -10.757 -1.964 1.00 0.00 H new ATOM 0 HA ASN A 49 2.686 -8.390 -1.881 1.00 0.00 H new ATOM 0 HB2 ASN A 49 0.269 -9.442 -3.414 1.00 0.00 H new ATOM 0 HB3 ASN A 49 0.824 -7.814 -3.750 1.00 0.00 H new ATOM 0 HD21 ASN A 49 3.729 -10.731 -4.378 1.00 0.00 H new ATOM 0 HD22 ASN A 49 2.789 -10.742 -2.882 1.00 0.00 H new ATOM 836 N VAL A 50 -0.440 -7.617 -1.197 1.00 0.00 N ATOM 837 CA VAL A 50 -1.229 -6.563 -0.497 1.00 0.00 C ATOM 838 C VAL A 50 -0.592 -6.252 0.859 1.00 0.00 C ATOM 839 O VAL A 50 0.066 -5.246 1.031 1.00 0.00 O ATOM 840 CB VAL A 50 -2.622 -7.160 -0.314 1.00 0.00 C ATOM 841 CG1 VAL A 50 -3.404 -6.328 0.703 1.00 0.00 C ATOM 842 CG2 VAL A 50 -3.357 -7.151 -1.656 1.00 0.00 C ATOM 0 H VAL A 50 -0.991 -8.349 -1.646 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.263 -5.629 -1.057 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.536 -8.185 0.047 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.399 -6.754 0.834 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.879 -6.333 1.658 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.493 -5.303 0.343 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.352 -7.577 -1.529 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.444 -6.126 -2.016 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.799 -7.744 -2.381 1.00 0.00 H new ATOM 852 N GLY A 51 -0.777 -7.111 1.824 1.00 0.00 N ATOM 853 CA GLY A 51 -0.176 -6.863 3.163 1.00 0.00 C ATOM 854 C GLY A 51 1.313 -6.546 3.003 1.00 0.00 C ATOM 855 O GLY A 51 1.828 -5.619 3.592 1.00 0.00 O ATOM 0 H GLY A 51 -1.318 -7.972 1.742 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.685 -6.033 3.654 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.306 -7.738 3.800 1.00 0.00 H new ATOM 859 N GLN A 52 2.013 -7.309 2.208 1.00 0.00 N ATOM 860 CA GLN A 52 3.468 -7.044 2.013 1.00 0.00 C ATOM 861 C GLN A 52 3.709 -6.387 0.651 1.00 0.00 C ATOM 862 O GLN A 52 4.130 -7.027 -0.293 1.00 0.00 O ATOM 863 CB GLN A 52 4.136 -8.419 2.074 1.00 0.00 C ATOM 864 CG GLN A 52 4.791 -8.608 3.445 1.00 0.00 C ATOM 865 CD GLN A 52 6.294 -8.341 3.337 1.00 0.00 C ATOM 866 OE1 GLN A 52 6.715 -7.126 3.112 1.00 0.00 O flip ATOM 867 NE2 GLN A 52 7.094 -9.248 3.458 1.00 0.00 N flip ATOM 0 H GLN A 52 1.642 -8.103 1.686 1.00 0.00 H new ATOM 0 HA GLN A 52 3.868 -6.365 2.767 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.398 -9.202 1.901 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.884 -8.507 1.286 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.342 -7.929 4.170 1.00 0.00 H new ATOM 0 HG3 GLN A 52 4.616 -9.622 3.806 1.00 0.00 H new ATOM 0 HE21 GLN A 52 6.766 -10.198 3.634 1.00 0.00 H new ATOM 0 HE22 GLN A 52 8.094 -9.060 3.384 1.00 0.00 H new ATOM 876 N PHE A 53 3.443 -5.115 0.543 1.00 0.00 N ATOM 877 CA PHE A 53 3.651 -4.411 -0.756 1.00 0.00 C ATOM 878 C PHE A 53 5.011 -3.703 -0.760 1.00 0.00 C ATOM 879 O PHE A 53 6.004 -4.246 -1.203 1.00 0.00 O ATOM 880 CB PHE A 53 2.503 -3.400 -0.834 1.00 0.00 C ATOM 881 CG PHE A 53 2.852 -2.289 -1.796 1.00 0.00 C ATOM 882 CD1 PHE A 53 3.262 -2.590 -3.100 1.00 0.00 C ATOM 883 CD2 PHE A 53 2.763 -0.955 -1.380 1.00 0.00 C ATOM 884 CE1 PHE A 53 3.584 -1.556 -3.988 1.00 0.00 C ATOM 885 CE2 PHE A 53 3.085 0.078 -2.268 1.00 0.00 C ATOM 886 CZ PHE A 53 3.496 -0.222 -3.572 1.00 0.00 C ATOM 0 H PHE A 53 3.089 -4.530 1.300 1.00 0.00 H new ATOM 0 HA PHE A 53 3.653 -5.090 -1.609 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.590 -3.899 -1.159 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.305 -2.986 0.155 1.00 0.00 H new ATOM 0 HD1 PHE A 53 3.330 -3.619 -3.421 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.446 -0.723 -0.374 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.900 -1.788 -4.994 1.00 0.00 H new ATOM 0 HE2 PHE A 53 3.016 1.107 -1.947 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.745 0.575 -4.257 1.00 0.00 H new ATOM 896 N SER A 54 5.063 -2.494 -0.274 1.00 0.00 N ATOM 897 CA SER A 54 6.356 -1.753 -0.251 1.00 0.00 C ATOM 898 C SER A 54 6.617 -1.190 1.147 1.00 0.00 C ATOM 899 O SER A 54 7.745 -1.082 1.585 1.00 0.00 O ATOM 900 CB SER A 54 6.180 -0.620 -1.261 1.00 0.00 C ATOM 901 OG SER A 54 7.412 0.075 -1.405 1.00 0.00 O ATOM 0 H SER A 54 4.265 -1.986 0.109 1.00 0.00 H new ATOM 0 HA SER A 54 7.203 -2.392 -0.499 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.861 -1.021 -2.223 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.400 0.064 -0.926 1.00 0.00 H new ATOM 0 HG SER A 54 7.304 0.802 -2.053 1.00 0.00 H new ATOM 907 N GLY A 55 5.579 -0.827 1.850 1.00 0.00 N ATOM 908 CA GLY A 55 5.761 -0.268 3.217 1.00 0.00 C ATOM 909 C GLY A 55 4.964 1.028 3.343 1.00 0.00 C ATOM 910 O GLY A 55 5.521 2.098 3.482 1.00 0.00 O ATOM 0 H GLY A 55 4.611 -0.894 1.535 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.427 -0.988 3.964 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.817 -0.079 3.407 1.00 0.00 H new ATOM 914 N PHE A 56 3.660 0.941 3.287 1.00 0.00 N ATOM 915 CA PHE A 56 2.816 2.166 3.397 1.00 0.00 C ATOM 916 C PHE A 56 3.401 3.141 4.423 1.00 0.00 C ATOM 917 O PHE A 56 3.757 4.252 4.084 1.00 0.00 O ATOM 918 CB PHE A 56 1.449 1.658 3.854 1.00 0.00 C ATOM 919 CG PHE A 56 0.604 1.329 2.648 1.00 0.00 C ATOM 920 CD1 PHE A 56 1.216 0.930 1.453 1.00 0.00 C ATOM 921 CD2 PHE A 56 -0.790 1.420 2.724 1.00 0.00 C ATOM 922 CE1 PHE A 56 0.432 0.621 0.335 1.00 0.00 C ATOM 923 CE2 PHE A 56 -1.574 1.112 1.606 1.00 0.00 C ATOM 924 CZ PHE A 56 -0.962 0.712 0.412 1.00 0.00 C ATOM 0 H PHE A 56 3.142 0.070 3.169 1.00 0.00 H new ATOM 0 HA PHE A 56 2.760 2.710 2.454 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.569 0.773 4.479 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.953 2.414 4.463 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.292 0.861 1.394 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.261 1.728 3.646 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.903 0.312 -0.587 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.650 1.183 1.664 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.567 0.473 -0.451 1.00 0.00 H new ATOM 934 N PRO A 57 3.484 2.695 5.646 1.00 0.00 N ATOM 935 CA PRO A 57 4.035 3.550 6.723 1.00 0.00 C ATOM 936 C PRO A 57 5.544 3.730 6.540 1.00 0.00 C ATOM 937 O PRO A 57 6.331 3.349 7.384 1.00 0.00 O ATOM 938 CB PRO A 57 3.721 2.768 7.997 1.00 0.00 C ATOM 939 CG PRO A 57 3.604 1.347 7.554 1.00 0.00 C ATOM 940 CD PRO A 57 3.078 1.375 6.143 1.00 0.00 C ATOM 0 HA PRO A 57 3.613 4.555 6.736 1.00 0.00 H new ATOM 0 HB2 PRO A 57 4.511 2.887 8.739 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.796 3.116 8.457 1.00 0.00 H new ATOM 0 HG2 PRO A 57 4.572 0.848 7.596 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.930 0.792 8.207 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.504 0.572 5.541 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.995 1.253 6.117 1.00 0.00 H new ATOM 948 N PHE A 58 5.954 4.308 5.441 1.00 0.00 N ATOM 949 CA PHE A 58 7.413 4.511 5.207 1.00 0.00 C ATOM 950 C PHE A 58 7.822 5.942 5.572 1.00 0.00 C ATOM 951 O PHE A 58 8.876 6.168 6.134 1.00 0.00 O ATOM 952 CB PHE A 58 7.623 4.253 3.713 1.00 0.00 C ATOM 953 CG PHE A 58 6.865 5.276 2.900 1.00 0.00 C ATOM 954 CD1 PHE A 58 7.424 6.538 2.663 1.00 0.00 C ATOM 955 CD2 PHE A 58 5.606 4.961 2.375 1.00 0.00 C ATOM 956 CE1 PHE A 58 6.725 7.485 1.904 1.00 0.00 C ATOM 957 CE2 PHE A 58 4.906 5.906 1.615 1.00 0.00 C ATOM 958 CZ PHE A 58 5.465 7.168 1.379 1.00 0.00 C ATOM 0 H PHE A 58 5.343 4.647 4.698 1.00 0.00 H new ATOM 0 HA PHE A 58 8.020 3.846 5.821 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.685 4.301 3.473 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.283 3.249 3.458 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.396 6.781 3.066 1.00 0.00 H new ATOM 0 HD2 PHE A 58 5.174 3.988 2.556 1.00 0.00 H new ATOM 0 HE1 PHE A 58 7.157 8.458 1.724 1.00 0.00 H new ATOM 0 HE2 PHE A 58 3.935 5.662 1.211 1.00 0.00 H new ATOM 0 HZ PHE A 58 4.925 7.897 0.793 1.00 0.00 H new ATOM 968 N GLU A 59 7.005 6.910 5.259 1.00 0.00 N ATOM 969 CA GLU A 59 7.367 8.319 5.594 1.00 0.00 C ATOM 970 C GLU A 59 6.274 9.284 5.125 1.00 0.00 C ATOM 971 O GLU A 59 5.104 8.958 5.115 1.00 0.00 O ATOM 972 CB GLU A 59 8.669 8.582 4.837 1.00 0.00 C ATOM 973 CG GLU A 59 9.582 9.469 5.685 1.00 0.00 C ATOM 974 CD GLU A 59 10.138 8.656 6.855 1.00 0.00 C ATOM 975 OE1 GLU A 59 9.420 8.487 7.827 1.00 0.00 O ATOM 976 OE2 GLU A 59 11.273 8.218 6.761 1.00 0.00 O ATOM 0 H GLU A 59 6.108 6.789 4.789 1.00 0.00 H new ATOM 0 HA GLU A 59 7.476 8.467 6.668 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.168 7.639 4.611 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.457 9.066 3.884 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.399 9.856 5.076 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.027 10.330 6.058 1.00 0.00 H new ATOM 983 N LYS A 60 6.652 10.474 4.741 1.00 0.00 N ATOM 984 CA LYS A 60 5.642 11.469 4.277 1.00 0.00 C ATOM 985 C LYS A 60 6.341 12.720 3.739 1.00 0.00 C ATOM 986 O LYS A 60 5.866 13.364 2.830 1.00 0.00 O ATOM 987 CB LYS A 60 4.830 11.819 5.522 1.00 0.00 C ATOM 988 CG LYS A 60 3.337 11.777 5.194 1.00 0.00 C ATOM 989 CD LYS A 60 2.570 12.648 6.192 1.00 0.00 C ATOM 990 CE LYS A 60 2.552 14.098 5.694 1.00 0.00 C ATOM 991 NZ LYS A 60 1.121 14.523 5.733 1.00 0.00 N ATOM 0 H LYS A 60 7.618 10.800 4.729 1.00 0.00 H new ATOM 0 HA LYS A 60 5.018 11.076 3.474 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.056 11.116 6.324 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.105 12.811 5.880 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.167 12.134 4.178 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.973 10.750 5.237 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.551 12.278 6.306 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.040 12.595 7.174 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.167 14.737 6.328 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.954 14.170 4.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.014 15.430 5.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.532 13.802 5.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.819 14.634 6.722 1.00 0.00 H new ATOM 1005 N GLY A 61 7.461 13.073 4.300 1.00 0.00 N ATOM 1006 CA GLY A 61 8.184 14.286 3.825 1.00 0.00 C ATOM 1007 C GLY A 61 9.301 13.871 2.866 1.00 0.00 C ATOM 1008 O GLY A 61 10.463 13.865 3.220 1.00 0.00 O ATOM 0 H GLY A 61 7.909 12.574 5.069 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.492 14.962 3.323 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.601 14.829 4.673 1.00 0.00 H new ATOM 1012 N SER A 62 8.960 13.523 1.657 1.00 0.00 N ATOM 1013 CA SER A 62 10.015 13.106 0.684 1.00 0.00 C ATOM 1014 C SER A 62 9.468 13.108 -0.743 1.00 0.00 C ATOM 1015 O SER A 62 8.284 13.255 -0.969 1.00 0.00 O ATOM 1016 CB SER A 62 10.398 11.688 1.102 1.00 0.00 C ATOM 1017 OG SER A 62 9.372 11.145 1.923 1.00 0.00 O ATOM 0 H SER A 62 8.005 13.508 1.300 1.00 0.00 H new ATOM 0 HA SER A 62 10.867 13.785 0.693 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.542 11.064 0.220 1.00 0.00 H new ATOM 0 HB3 SER A 62 11.344 11.699 1.643 1.00 0.00 H new ATOM 0 HG SER A 62 9.431 10.167 1.917 1.00 0.00 H new ATOM 1023 N VAL A 63 10.326 12.939 -1.711 1.00 0.00 N ATOM 1024 CA VAL A 63 9.859 12.922 -3.124 1.00 0.00 C ATOM 1025 C VAL A 63 8.716 11.918 -3.277 1.00 0.00 C ATOM 1026 O VAL A 63 7.705 12.201 -3.889 1.00 0.00 O ATOM 1027 CB VAL A 63 11.074 12.483 -3.941 1.00 0.00 C ATOM 1028 CG1 VAL A 63 10.755 12.597 -5.432 1.00 0.00 C ATOM 1029 CG2 VAL A 63 12.265 13.385 -3.607 1.00 0.00 C ATOM 0 H VAL A 63 11.330 12.812 -1.584 1.00 0.00 H new ATOM 0 HA VAL A 63 9.484 13.891 -3.451 1.00 0.00 H new ATOM 0 HB VAL A 63 11.319 11.449 -3.699 1.00 0.00 H new ATOM 0 HG11 VAL A 63 11.622 12.284 -6.014 1.00 0.00 H new ATOM 0 HG12 VAL A 63 9.906 11.957 -5.672 1.00 0.00 H new ATOM 0 HG13 VAL A 63 10.510 13.631 -5.674 1.00 0.00 H new ATOM 0 HG21 VAL A 63 13.132 13.073 -4.189 1.00 0.00 H new ATOM 0 HG22 VAL A 63 12.018 14.419 -3.850 1.00 0.00 H new ATOM 0 HG23 VAL A 63 12.494 13.307 -2.544 1.00 0.00 H new ATOM 1039 N GLN A 64 8.865 10.748 -2.718 1.00 0.00 N ATOM 1040 CA GLN A 64 7.783 9.730 -2.827 1.00 0.00 C ATOM 1041 C GLN A 64 6.454 10.339 -2.376 1.00 0.00 C ATOM 1042 O GLN A 64 5.429 10.150 -3.001 1.00 0.00 O ATOM 1043 CB GLN A 64 8.203 8.595 -1.891 1.00 0.00 C ATOM 1044 CG GLN A 64 8.415 9.149 -0.480 1.00 0.00 C ATOM 1045 CD GLN A 64 9.168 8.120 0.365 1.00 0.00 C ATOM 1046 OE1 GLN A 64 10.022 8.472 1.153 1.00 0.00 O ATOM 1047 NE2 GLN A 64 8.885 6.852 0.234 1.00 0.00 N ATOM 0 H GLN A 64 9.688 10.454 -2.192 1.00 0.00 H new ATOM 0 HA GLN A 64 7.645 9.376 -3.849 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.438 7.819 -1.877 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.121 8.132 -2.253 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.979 10.081 -0.525 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.454 9.379 -0.020 1.00 0.00 H new ATOM 0 HE21 GLN A 64 8.168 6.555 -0.428 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.381 6.158 0.793 1.00 0.00 H new ATOM 1056 N TYR A 65 6.468 11.078 -1.300 1.00 0.00 N ATOM 1057 CA TYR A 65 5.209 11.710 -0.816 1.00 0.00 C ATOM 1058 C TYR A 65 4.625 12.593 -1.925 1.00 0.00 C ATOM 1059 O TYR A 65 3.468 12.476 -2.278 1.00 0.00 O ATOM 1060 CB TYR A 65 5.637 12.533 0.408 1.00 0.00 C ATOM 1061 CG TYR A 65 4.750 13.747 0.576 1.00 0.00 C ATOM 1062 CD1 TYR A 65 4.982 14.893 -0.192 1.00 0.00 C ATOM 1063 CD2 TYR A 65 3.703 13.725 1.504 1.00 0.00 C ATOM 1064 CE1 TYR A 65 4.166 16.018 -0.032 1.00 0.00 C ATOM 1065 CE2 TYR A 65 2.888 14.851 1.664 1.00 0.00 C ATOM 1066 CZ TYR A 65 3.119 15.998 0.895 1.00 0.00 C ATOM 1067 OH TYR A 65 2.314 17.108 1.053 1.00 0.00 O ATOM 0 H TYR A 65 7.296 11.271 -0.736 1.00 0.00 H new ATOM 0 HA TYR A 65 4.433 10.992 -0.553 1.00 0.00 H new ATOM 0 HB2 TYR A 65 5.587 11.914 1.304 1.00 0.00 H new ATOM 0 HB3 TYR A 65 6.674 12.848 0.295 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.790 14.909 -0.908 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.524 12.840 2.096 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.345 16.903 -0.625 1.00 0.00 H new ATOM 0 HE2 TYR A 65 2.080 14.835 2.381 1.00 0.00 H new ATOM 0 HH TYR A 65 1.635 16.925 1.736 1.00 0.00 H new ATOM 1077 N LYS A 66 5.418 13.466 -2.487 1.00 0.00 N ATOM 1078 CA LYS A 66 4.901 14.336 -3.581 1.00 0.00 C ATOM 1079 C LYS A 66 4.134 13.478 -4.585 1.00 0.00 C ATOM 1080 O LYS A 66 3.003 13.767 -4.939 1.00 0.00 O ATOM 1081 CB LYS A 66 6.144 14.946 -4.230 1.00 0.00 C ATOM 1082 CG LYS A 66 6.260 16.419 -3.834 1.00 0.00 C ATOM 1083 CD LYS A 66 7.360 16.581 -2.784 1.00 0.00 C ATOM 1084 CE LYS A 66 7.039 17.780 -1.890 1.00 0.00 C ATOM 1085 NZ LYS A 66 8.362 18.267 -1.413 1.00 0.00 N ATOM 0 H LYS A 66 6.396 13.613 -2.237 1.00 0.00 H new ATOM 0 HA LYS A 66 4.221 15.108 -3.221 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.035 14.403 -3.914 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.082 14.854 -5.314 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.488 17.025 -4.711 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.309 16.776 -3.438 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.439 15.676 -2.182 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.324 16.725 -3.271 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.509 18.555 -2.444 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.400 17.491 -1.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.226 19.090 -0.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.840 17.510 -0.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.946 18.541 -2.229 1.00 0.00 H new ATOM 1099 N LYS A 67 4.734 12.407 -5.030 1.00 0.00 N ATOM 1100 CA LYS A 67 4.036 11.513 -5.990 1.00 0.00 C ATOM 1101 C LYS A 67 2.613 11.275 -5.493 1.00 0.00 C ATOM 1102 O LYS A 67 1.648 11.616 -6.147 1.00 0.00 O ATOM 1103 CB LYS A 67 4.839 10.210 -5.981 1.00 0.00 C ATOM 1104 CG LYS A 67 5.204 9.822 -7.415 1.00 0.00 C ATOM 1105 CD LYS A 67 6.599 10.354 -7.751 1.00 0.00 C ATOM 1106 CE LYS A 67 7.256 9.440 -8.789 1.00 0.00 C ATOM 1107 NZ LYS A 67 8.279 10.291 -9.459 1.00 0.00 N ATOM 0 H LYS A 67 5.676 12.115 -4.769 1.00 0.00 H new ATOM 0 HA LYS A 67 3.972 11.930 -6.995 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.744 10.333 -5.385 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.256 9.415 -5.516 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.181 8.738 -7.526 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.471 10.230 -8.111 1.00 0.00 H new ATOM 0 HD2 LYS A 67 6.529 11.371 -8.138 1.00 0.00 H new ATOM 0 HD3 LYS A 67 7.210 10.397 -6.850 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.714 8.571 -8.316 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.524 9.065 -9.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.773 9.734 -10.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.813 11.107 -9.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.966 10.628 -8.754 1.00 0.00 H new ATOM 1121 N LYS A 68 2.479 10.701 -4.329 1.00 0.00 N ATOM 1122 CA LYS A 68 1.123 10.452 -3.775 1.00 0.00 C ATOM 1123 C LYS A 68 0.299 11.740 -3.822 1.00 0.00 C ATOM 1124 O LYS A 68 -0.876 11.721 -4.094 1.00 0.00 O ATOM 1125 CB LYS A 68 1.359 10.010 -2.332 1.00 0.00 C ATOM 1126 CG LYS A 68 1.860 8.565 -2.320 1.00 0.00 C ATOM 1127 CD LYS A 68 0.732 7.637 -1.868 1.00 0.00 C ATOM 1128 CE LYS A 68 0.810 6.319 -2.641 1.00 0.00 C ATOM 1129 NZ LYS A 68 -0.227 6.435 -3.704 1.00 0.00 N ATOM 0 H LYS A 68 3.252 10.394 -3.739 1.00 0.00 H new ATOM 0 HA LYS A 68 0.571 9.700 -4.340 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.089 10.664 -1.854 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.435 10.091 -1.759 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.203 8.280 -3.314 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.714 8.471 -1.649 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.811 7.447 -0.797 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.234 8.113 -2.037 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.801 6.171 -3.070 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.614 5.467 -1.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.235 5.568 -4.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.160 6.568 -3.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.011 7.250 -4.312 1.00 0.00 H new ATOM 1143 N GLU A 69 0.899 12.866 -3.564 1.00 0.00 N ATOM 1144 CA GLU A 69 0.114 14.133 -3.611 1.00 0.00 C ATOM 1145 C GLU A 69 -0.771 14.144 -4.865 1.00 0.00 C ATOM 1146 O GLU A 69 -1.987 14.164 -4.785 1.00 0.00 O ATOM 1147 CB GLU A 69 1.156 15.251 -3.676 1.00 0.00 C ATOM 1148 CG GLU A 69 0.575 16.524 -3.057 1.00 0.00 C ATOM 1149 CD GLU A 69 1.440 17.724 -3.443 1.00 0.00 C ATOM 1150 OE1 GLU A 69 2.564 17.797 -2.971 1.00 0.00 O ATOM 1151 OE2 GLU A 69 0.966 18.551 -4.206 1.00 0.00 O ATOM 0 H GLU A 69 1.886 12.967 -3.325 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.543 14.249 -2.749 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.059 14.953 -3.142 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.444 15.435 -4.711 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.448 16.674 -3.403 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.534 16.427 -1.972 1.00 0.00 H new ATOM 1158 N GLU A 70 -0.171 14.120 -6.022 1.00 0.00 N ATOM 1159 CA GLU A 70 -0.978 14.127 -7.278 1.00 0.00 C ATOM 1160 C GLU A 70 -1.616 12.753 -7.526 1.00 0.00 C ATOM 1161 O GLU A 70 -2.812 12.640 -7.732 1.00 0.00 O ATOM 1162 CB GLU A 70 0.027 14.461 -8.382 1.00 0.00 C ATOM 1163 CG GLU A 70 -0.721 14.828 -9.664 1.00 0.00 C ATOM 1164 CD GLU A 70 -0.110 14.075 -10.846 1.00 0.00 C ATOM 1165 OE1 GLU A 70 0.025 12.865 -10.747 1.00 0.00 O ATOM 1166 OE2 GLU A 70 0.214 14.718 -11.831 1.00 0.00 O ATOM 0 H GLU A 70 0.840 14.096 -6.154 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.799 14.843 -7.234 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.663 15.290 -8.070 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.681 13.608 -8.562 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.777 14.576 -9.566 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.664 15.903 -9.836 1.00 0.00 H new ATOM 1173 N MET A 71 -0.830 11.712 -7.515 1.00 0.00 N ATOM 1174 CA MET A 71 -1.391 10.351 -7.759 1.00 0.00 C ATOM 1175 C MET A 71 -2.557 10.075 -6.808 1.00 0.00 C ATOM 1176 O MET A 71 -3.587 9.572 -7.207 1.00 0.00 O ATOM 1177 CB MET A 71 -0.232 9.390 -7.483 1.00 0.00 C ATOM 1178 CG MET A 71 0.954 9.752 -8.379 1.00 0.00 C ATOM 1179 SD MET A 71 1.218 8.435 -9.593 1.00 0.00 S ATOM 1180 CE MET A 71 0.849 9.413 -11.071 1.00 0.00 C ATOM 0 H MET A 71 0.176 11.744 -7.348 1.00 0.00 H new ATOM 0 HA MET A 71 -1.780 10.242 -8.771 1.00 0.00 H new ATOM 0 HB2 MET A 71 0.060 9.447 -6.434 1.00 0.00 H new ATOM 0 HB3 MET A 71 -0.544 8.363 -7.672 1.00 0.00 H new ATOM 0 HG2 MET A 71 0.764 10.697 -8.888 1.00 0.00 H new ATOM 0 HG3 MET A 71 1.851 9.890 -7.775 1.00 0.00 H new ATOM 0 HE1 MET A 71 0.952 8.786 -11.957 1.00 0.00 H new ATOM 0 HE2 MET A 71 -0.171 9.792 -11.011 1.00 0.00 H new ATOM 0 HE3 MET A 71 1.544 10.250 -11.136 1.00 0.00 H new ATOM 1190 N LEU A 72 -2.405 10.400 -5.555 1.00 0.00 N ATOM 1191 CA LEU A 72 -3.511 10.153 -4.584 1.00 0.00 C ATOM 1192 C LEU A 72 -4.721 11.013 -4.943 1.00 0.00 C ATOM 1193 O LEU A 72 -5.836 10.660 -4.651 1.00 0.00 O ATOM 1194 CB LEU A 72 -2.964 10.519 -3.197 1.00 0.00 C ATOM 1195 CG LEU A 72 -3.130 12.022 -2.937 1.00 0.00 C ATOM 1196 CD1 LEU A 72 -4.553 12.299 -2.453 1.00 0.00 C ATOM 1197 CD2 LEU A 72 -2.134 12.474 -1.868 1.00 0.00 C ATOM 0 H LEU A 72 -1.566 10.825 -5.160 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.839 9.114 -4.603 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.490 9.950 -2.430 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.911 10.246 -3.131 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.943 12.571 -3.860 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.673 13.366 -2.268 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.265 11.981 -3.215 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.737 11.748 -1.531 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.255 13.542 -1.686 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.318 11.926 -0.944 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.118 12.277 -2.211 1.00 0.00 H new ATOM 1209 N LYS A 73 -4.516 12.137 -5.576 1.00 0.00 N ATOM 1210 CA LYS A 73 -5.686 12.985 -5.949 1.00 0.00 C ATOM 1211 C LYS A 73 -6.574 12.212 -6.931 1.00 0.00 C ATOM 1212 O LYS A 73 -7.670 11.781 -6.602 1.00 0.00 O ATOM 1213 CB LYS A 73 -5.091 14.224 -6.619 1.00 0.00 C ATOM 1214 CG LYS A 73 -5.639 15.483 -5.945 1.00 0.00 C ATOM 1215 CD LYS A 73 -6.959 15.884 -6.606 1.00 0.00 C ATOM 1216 CE LYS A 73 -6.683 16.878 -7.737 1.00 0.00 C ATOM 1217 NZ LYS A 73 -7.827 17.832 -7.698 1.00 0.00 N ATOM 0 H LYS A 73 -3.603 12.501 -5.848 1.00 0.00 H new ATOM 0 HA LYS A 73 -6.301 13.256 -5.091 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -4.004 14.203 -6.545 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.338 14.230 -7.681 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -5.794 15.301 -4.882 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -4.917 16.296 -6.028 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.464 15.001 -6.999 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -7.626 16.332 -5.869 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -5.734 17.393 -7.587 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -6.623 16.373 -8.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -7.710 18.546 -8.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.716 17.314 -7.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -7.855 18.303 -6.771 1.00 0.00 H new ATOM 1231 N LYS A 74 -6.103 12.007 -8.131 1.00 0.00 N ATOM 1232 CA LYS A 74 -6.918 11.239 -9.114 1.00 0.00 C ATOM 1233 C LYS A 74 -7.387 9.944 -8.451 1.00 0.00 C ATOM 1234 O LYS A 74 -8.550 9.575 -8.508 1.00 0.00 O ATOM 1235 CB LYS A 74 -5.971 10.940 -10.280 1.00 0.00 C ATOM 1236 CG LYS A 74 -5.766 12.208 -11.112 1.00 0.00 C ATOM 1237 CD LYS A 74 -4.273 12.412 -11.374 1.00 0.00 C ATOM 1238 CE LYS A 74 -3.971 12.147 -12.851 1.00 0.00 C ATOM 1239 NZ LYS A 74 -2.673 11.416 -12.852 1.00 0.00 N ATOM 0 H LYS A 74 -5.199 12.334 -8.471 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.800 11.781 -9.455 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -5.013 10.582 -9.902 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.384 10.147 -10.903 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.304 12.127 -12.057 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.175 13.071 -10.586 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -3.982 13.429 -11.110 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.688 11.740 -10.746 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.759 11.554 -13.315 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.900 13.078 -13.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -2.398 11.198 -13.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -1.941 12.008 -12.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -2.773 10.531 -12.315 1.00 0.00 H new ATOM 1253 N PHE A 75 -6.487 9.267 -7.796 1.00 0.00 N ATOM 1254 CA PHE A 75 -6.863 8.012 -7.096 1.00 0.00 C ATOM 1255 C PHE A 75 -7.862 8.345 -5.991 1.00 0.00 C ATOM 1256 O PHE A 75 -8.695 7.542 -5.626 1.00 0.00 O ATOM 1257 CB PHE A 75 -5.555 7.485 -6.509 1.00 0.00 C ATOM 1258 CG PHE A 75 -4.849 6.643 -7.544 1.00 0.00 C ATOM 1259 CD1 PHE A 75 -5.567 5.690 -8.276 1.00 0.00 C ATOM 1260 CD2 PHE A 75 -3.479 6.819 -7.776 1.00 0.00 C ATOM 1261 CE1 PHE A 75 -4.915 4.910 -9.238 1.00 0.00 C ATOM 1262 CE2 PHE A 75 -2.827 6.041 -8.739 1.00 0.00 C ATOM 1263 CZ PHE A 75 -3.545 5.085 -9.470 1.00 0.00 C ATOM 0 H PHE A 75 -5.505 9.531 -7.716 1.00 0.00 H new ATOM 0 HA PHE A 75 -7.330 7.275 -7.750 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -4.919 8.316 -6.204 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -5.756 6.892 -5.616 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.624 5.557 -8.098 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.926 7.555 -7.212 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -5.468 4.173 -9.801 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.771 6.177 -8.919 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.042 4.483 -10.212 1.00 0.00 H new ATOM 1273 N ARG A 76 -7.792 9.536 -5.464 1.00 0.00 N ATOM 1274 CA ARG A 76 -8.746 9.923 -4.395 1.00 0.00 C ATOM 1275 C ARG A 76 -10.145 9.544 -4.846 1.00 0.00 C ATOM 1276 O ARG A 76 -10.852 8.820 -4.184 1.00 0.00 O ATOM 1277 CB ARG A 76 -8.622 11.441 -4.252 1.00 0.00 C ATOM 1278 CG ARG A 76 -9.312 11.890 -2.961 1.00 0.00 C ATOM 1279 CD ARG A 76 -9.708 13.363 -3.079 1.00 0.00 C ATOM 1280 NE ARG A 76 -11.027 13.352 -3.772 1.00 0.00 N ATOM 1281 CZ ARG A 76 -11.566 14.472 -4.168 1.00 0.00 C ATOM 1282 NH1 ARG A 76 -10.806 15.491 -4.468 1.00 0.00 N ATOM 1283 NH2 ARG A 76 -12.864 14.578 -4.264 1.00 0.00 N ATOM 0 H ARG A 76 -7.117 10.254 -5.728 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.543 9.428 -3.446 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -7.571 11.731 -4.235 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -9.076 11.936 -5.111 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -10.195 11.279 -2.777 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -8.644 11.749 -2.111 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -9.781 13.832 -2.098 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -8.968 13.927 -3.647 1.00 0.00 H new ATOM 0 HE ARG A 76 -11.509 12.468 -3.937 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -9.792 15.411 -4.393 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -11.227 16.367 -4.778 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -13.459 13.784 -4.029 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -13.283 15.455 -4.574 1.00 0.00 H new ATOM 1297 N ASN A 77 -10.543 10.014 -5.988 1.00 0.00 N ATOM 1298 CA ASN A 77 -11.898 9.660 -6.488 1.00 0.00 C ATOM 1299 C ASN A 77 -11.989 8.148 -6.732 1.00 0.00 C ATOM 1300 O ASN A 77 -12.731 7.440 -6.072 1.00 0.00 O ATOM 1301 CB ASN A 77 -12.048 10.426 -7.803 1.00 0.00 C ATOM 1302 CG ASN A 77 -12.632 11.811 -7.521 1.00 0.00 C ATOM 1303 OD1 ASN A 77 -12.073 12.571 -6.618 1.00 0.00 O flip ATOM 1304 ND2 ASN A 77 -13.607 12.208 -8.128 1.00 0.00 N flip ATOM 0 H ASN A 77 -9.996 10.624 -6.595 1.00 0.00 H new ATOM 0 HA ASN A 77 -12.683 9.917 -5.777 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -11.079 10.521 -8.294 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -12.698 9.877 -8.484 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -14.045 11.615 -8.834 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -13.988 13.134 -7.932 1.00 0.00 H new ATOM 1311 N ALA A 78 -11.244 7.650 -7.682 1.00 0.00 N ATOM 1312 CA ALA A 78 -11.296 6.186 -7.987 1.00 0.00 C ATOM 1313 C ALA A 78 -10.715 5.346 -6.841 1.00 0.00 C ATOM 1314 O ALA A 78 -11.421 4.621 -6.167 1.00 0.00 O ATOM 1315 CB ALA A 78 -10.439 6.023 -9.241 1.00 0.00 C ATOM 0 H ALA A 78 -10.602 8.191 -8.261 1.00 0.00 H new ATOM 0 HA ALA A 78 -12.322 5.844 -8.123 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -10.422 4.974 -9.536 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -10.860 6.621 -10.050 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -9.423 6.358 -9.033 1.00 0.00 H new ATOM 1321 N MET A 79 -9.428 5.419 -6.640 1.00 0.00 N ATOM 1322 CA MET A 79 -8.783 4.610 -5.564 1.00 0.00 C ATOM 1323 C MET A 79 -9.652 4.553 -4.304 1.00 0.00 C ATOM 1324 O MET A 79 -10.014 3.486 -3.851 1.00 0.00 O ATOM 1325 CB MET A 79 -7.460 5.314 -5.277 1.00 0.00 C ATOM 1326 CG MET A 79 -6.461 4.310 -4.698 1.00 0.00 C ATOM 1327 SD MET A 79 -4.969 4.281 -5.722 1.00 0.00 S ATOM 1328 CE MET A 79 -3.846 3.612 -4.470 1.00 0.00 C ATOM 0 H MET A 79 -8.791 6.007 -7.177 1.00 0.00 H new ATOM 0 HA MET A 79 -8.641 3.575 -5.875 1.00 0.00 H new ATOM 0 HB2 MET A 79 -7.063 5.751 -6.193 1.00 0.00 H new ATOM 0 HB3 MET A 79 -7.617 6.133 -4.575 1.00 0.00 H new ATOM 0 HG2 MET A 79 -6.207 4.584 -3.674 1.00 0.00 H new ATOM 0 HG3 MET A 79 -6.908 3.317 -4.661 1.00 0.00 H new ATOM 0 HE1 MET A 79 -2.847 3.509 -4.895 1.00 0.00 H new ATOM 0 HE2 MET A 79 -3.809 4.288 -3.616 1.00 0.00 H new ATOM 0 HE3 MET A 79 -4.204 2.635 -4.145 1.00 0.00 H new ATOM 1338 N LEU A 80 -9.988 5.672 -3.720 1.00 0.00 N ATOM 1339 CA LEU A 80 -10.826 5.615 -2.486 1.00 0.00 C ATOM 1340 C LEU A 80 -12.030 4.710 -2.726 1.00 0.00 C ATOM 1341 O LEU A 80 -12.343 3.862 -1.917 1.00 0.00 O ATOM 1342 CB LEU A 80 -11.268 7.048 -2.209 1.00 0.00 C ATOM 1343 CG LEU A 80 -10.032 7.914 -1.955 1.00 0.00 C ATOM 1344 CD1 LEU A 80 -10.469 9.313 -1.516 1.00 0.00 C ATOM 1345 CD2 LEU A 80 -9.178 7.277 -0.858 1.00 0.00 C ATOM 0 H LEU A 80 -9.725 6.606 -4.035 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.278 5.208 -1.636 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -11.832 7.438 -3.056 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -11.931 7.076 -1.344 1.00 0.00 H new ATOM 0 HG LEU A 80 -9.447 7.988 -2.872 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.588 9.929 -1.335 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -11.075 9.767 -2.300 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -11.055 9.240 -0.600 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.298 7.894 -0.678 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -9.762 7.201 0.059 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.865 6.282 -1.173 1.00 0.00 H new ATOM 1357 N LYS A 81 -12.701 4.864 -3.836 1.00 0.00 N ATOM 1358 CA LYS A 81 -13.869 3.981 -4.109 1.00 0.00 C ATOM 1359 C LYS A 81 -13.500 2.540 -3.744 1.00 0.00 C ATOM 1360 O LYS A 81 -14.140 1.908 -2.926 1.00 0.00 O ATOM 1361 CB LYS A 81 -14.130 4.112 -5.610 1.00 0.00 C ATOM 1362 CG LYS A 81 -15.611 4.414 -5.846 1.00 0.00 C ATOM 1363 CD LYS A 81 -15.744 5.692 -6.677 1.00 0.00 C ATOM 1364 CE LYS A 81 -15.418 6.905 -5.803 1.00 0.00 C ATOM 1365 NZ LYS A 81 -16.668 7.184 -5.038 1.00 0.00 N ATOM 0 H LYS A 81 -12.494 5.555 -4.557 1.00 0.00 H new ATOM 0 HA LYS A 81 -14.752 4.252 -3.530 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -13.514 4.908 -6.029 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -13.850 3.190 -6.120 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -16.085 3.580 -6.363 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -16.126 4.532 -4.892 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -15.069 5.654 -7.532 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -16.756 5.777 -7.073 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -14.585 6.695 -5.132 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -15.129 7.762 -6.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -17.095 8.068 -5.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -17.339 6.401 -5.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -16.443 7.277 -4.027 1.00 0.00 H new ATOM 1379 N SER A 82 -12.451 2.028 -4.331 1.00 0.00 N ATOM 1380 CA SER A 82 -12.020 0.637 -4.011 1.00 0.00 C ATOM 1381 C SER A 82 -11.232 0.625 -2.696 1.00 0.00 C ATOM 1382 O SER A 82 -11.643 0.027 -1.720 1.00 0.00 O ATOM 1383 CB SER A 82 -11.124 0.223 -5.178 1.00 0.00 C ATOM 1384 OG SER A 82 -11.936 -0.230 -6.255 1.00 0.00 O ATOM 0 H SER A 82 -11.874 2.513 -5.018 1.00 0.00 H new ATOM 0 HA SER A 82 -12.863 -0.043 -3.886 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.512 1.066 -5.498 1.00 0.00 H new ATOM 0 HB3 SER A 82 -10.441 -0.567 -4.865 1.00 0.00 H new ATOM 0 HG SER A 82 -11.415 -0.831 -6.827 1.00 0.00 H new ATOM 1390 N ILE A 83 -10.106 1.285 -2.662 1.00 0.00 N ATOM 1391 CA ILE A 83 -9.297 1.313 -1.409 1.00 0.00 C ATOM 1392 C ILE A 83 -10.199 1.647 -0.217 1.00 0.00 C ATOM 1393 O ILE A 83 -10.439 0.819 0.640 1.00 0.00 O ATOM 1394 CB ILE A 83 -8.247 2.410 -1.637 1.00 0.00 C ATOM 1395 CG1 ILE A 83 -7.050 1.819 -2.387 1.00 0.00 C ATOM 1396 CG2 ILE A 83 -7.767 2.966 -0.291 1.00 0.00 C ATOM 1397 CD1 ILE A 83 -7.544 0.999 -3.580 1.00 0.00 C ATOM 0 H ILE A 83 -9.712 1.805 -3.446 1.00 0.00 H new ATOM 0 HA ILE A 83 -8.828 0.354 -1.188 1.00 0.00 H new ATOM 0 HB ILE A 83 -8.695 3.214 -2.221 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -6.393 2.618 -2.730 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -6.464 1.189 -1.718 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -7.023 3.743 -0.463 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -8.613 3.388 0.251 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -7.323 2.163 0.297 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.690 0.580 -4.112 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -8.184 0.191 -3.226 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -8.111 1.642 -4.254 1.00 0.00 H new ATOM 1409 N CYS A 84 -10.701 2.851 -0.152 1.00 0.00 N ATOM 1410 CA CYS A 84 -11.584 3.223 0.990 1.00 0.00 C ATOM 1411 C CYS A 84 -12.581 2.096 1.263 1.00 0.00 C ATOM 1412 O CYS A 84 -12.819 1.728 2.397 1.00 0.00 O ATOM 1413 CB CYS A 84 -12.313 4.493 0.550 1.00 0.00 C ATOM 1414 SG CYS A 84 -12.523 5.592 1.972 1.00 0.00 S ATOM 0 H CYS A 84 -10.539 3.589 -0.837 1.00 0.00 H new ATOM 0 HA CYS A 84 -11.021 3.387 1.909 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -11.746 4.998 -0.233 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -13.285 4.239 0.127 1.00 0.00 H new ATOM 0 HG CYS A 84 -13.141 6.673 1.598 1.00 0.00 H new ATOM 1420 N GLU A 85 -13.164 1.536 0.235 1.00 0.00 N ATOM 1421 CA GLU A 85 -14.135 0.429 0.451 1.00 0.00 C ATOM 1422 C GLU A 85 -13.505 -0.646 1.340 1.00 0.00 C ATOM 1423 O GLU A 85 -14.191 -1.390 2.014 1.00 0.00 O ATOM 1424 CB GLU A 85 -14.426 -0.127 -0.944 1.00 0.00 C ATOM 1425 CG GLU A 85 -15.852 0.246 -1.354 1.00 0.00 C ATOM 1426 CD GLU A 85 -16.269 -0.589 -2.566 1.00 0.00 C ATOM 1427 OE1 GLU A 85 -15.726 -0.359 -3.634 1.00 0.00 O ATOM 1428 OE2 GLU A 85 -17.126 -1.442 -2.406 1.00 0.00 O ATOM 0 H GLU A 85 -13.009 1.797 -0.739 1.00 0.00 H new ATOM 0 HA GLU A 85 -15.046 0.765 0.947 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -13.712 0.275 -1.663 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -14.307 -1.210 -0.948 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -16.538 0.071 -0.525 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -15.907 1.308 -1.594 1.00 0.00 H new ATOM 1435 N VAL A 86 -12.201 -0.733 1.347 1.00 0.00 N ATOM 1436 CA VAL A 86 -11.525 -1.758 2.196 1.00 0.00 C ATOM 1437 C VAL A 86 -10.320 -1.146 2.913 1.00 0.00 C ATOM 1438 O VAL A 86 -9.302 -1.786 3.091 1.00 0.00 O ATOM 1439 CB VAL A 86 -11.071 -2.845 1.223 1.00 0.00 C ATOM 1440 CG1 VAL A 86 -10.026 -2.270 0.264 1.00 0.00 C ATOM 1441 CG2 VAL A 86 -10.454 -4.003 2.009 1.00 0.00 C ATOM 0 H VAL A 86 -11.575 -0.139 0.802 1.00 0.00 H new ATOM 0 HA VAL A 86 -12.187 -2.151 2.968 1.00 0.00 H new ATOM 0 HB VAL A 86 -11.928 -3.204 0.653 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -9.703 -3.046 -0.430 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -10.462 -1.442 -0.295 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -9.168 -1.912 0.833 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -10.129 -4.780 1.317 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -9.597 -3.641 2.577 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -11.196 -4.414 2.694 1.00 0.00 H new ATOM 1451 N LEU A 87 -10.424 0.087 3.327 1.00 0.00 N ATOM 1452 CA LEU A 87 -9.280 0.734 4.031 1.00 0.00 C ATOM 1453 C LEU A 87 -9.755 1.381 5.335 1.00 0.00 C ATOM 1454 O LEU A 87 -9.507 2.542 5.589 1.00 0.00 O ATOM 1455 CB LEU A 87 -8.768 1.798 3.061 1.00 0.00 C ATOM 1456 CG LEU A 87 -7.309 2.125 3.383 1.00 0.00 C ATOM 1457 CD1 LEU A 87 -6.392 1.440 2.368 1.00 0.00 C ATOM 1458 CD2 LEU A 87 -7.101 3.639 3.316 1.00 0.00 C ATOM 0 H LEU A 87 -11.250 0.674 3.209 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.503 0.017 4.298 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.853 1.441 2.035 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.378 2.698 3.137 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.071 1.767 4.384 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.353 1.675 2.600 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.539 0.361 2.415 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.629 1.796 1.365 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.062 3.874 3.545 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.341 3.995 2.314 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.752 4.128 4.041 1.00 0.00 H new ATOM 1470 N ASP A 88 -10.433 0.637 6.166 1.00 0.00 N ATOM 1471 CA ASP A 88 -10.918 1.209 7.454 1.00 0.00 C ATOM 1472 C ASP A 88 -11.915 2.344 7.190 1.00 0.00 C ATOM 1473 O ASP A 88 -11.935 3.339 7.886 1.00 0.00 O ATOM 1474 CB ASP A 88 -9.662 1.746 8.142 1.00 0.00 C ATOM 1475 CG ASP A 88 -9.733 1.451 9.642 1.00 0.00 C ATOM 1476 OD1 ASP A 88 -10.508 0.587 10.019 1.00 0.00 O ATOM 1477 OD2 ASP A 88 -9.011 2.093 10.386 1.00 0.00 O ATOM 0 H ASP A 88 -10.672 -0.342 6.009 1.00 0.00 H new ATOM 0 HA ASP A 88 -11.436 0.471 8.066 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -8.774 1.284 7.712 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -9.575 2.820 7.976 1.00 0.00 H new ATOM 1482 N LEU A 89 -12.743 2.197 6.192 1.00 0.00 N ATOM 1483 CA LEU A 89 -13.741 3.266 5.885 1.00 0.00 C ATOM 1484 C LEU A 89 -14.859 2.702 5.002 1.00 0.00 C ATOM 1485 O LEU A 89 -14.803 1.572 4.559 1.00 0.00 O ATOM 1486 CB LEU A 89 -12.952 4.342 5.137 1.00 0.00 C ATOM 1487 CG LEU A 89 -12.732 5.546 6.054 1.00 0.00 C ATOM 1488 CD1 LEU A 89 -11.236 5.852 6.147 1.00 0.00 C ATOM 1489 CD2 LEU A 89 -13.465 6.762 5.483 1.00 0.00 C ATOM 0 H LEU A 89 -12.773 1.385 5.576 1.00 0.00 H new ATOM 0 HA LEU A 89 -14.215 3.663 6.783 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.993 3.942 4.809 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -13.493 4.648 4.242 1.00 0.00 H new ATOM 0 HG LEU A 89 -13.119 5.320 7.048 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -11.080 6.710 6.801 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.712 4.987 6.553 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.848 6.077 5.154 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.309 7.621 6.136 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.078 6.987 4.489 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.531 6.546 5.417 1.00 0.00 H new ATOM 1501 N GLU A 90 -15.877 3.479 4.743 1.00 0.00 N ATOM 1502 CA GLU A 90 -16.996 2.980 3.892 1.00 0.00 C ATOM 1503 C GLU A 90 -17.512 4.096 2.979 1.00 0.00 C ATOM 1504 O GLU A 90 -18.644 4.523 3.085 1.00 0.00 O ATOM 1505 CB GLU A 90 -18.082 2.551 4.879 1.00 0.00 C ATOM 1506 CG GLU A 90 -18.415 1.072 4.667 1.00 0.00 C ATOM 1507 CD GLU A 90 -19.923 0.859 4.823 1.00 0.00 C ATOM 1508 OE1 GLU A 90 -20.631 1.846 4.942 1.00 0.00 O ATOM 1509 OE2 GLU A 90 -20.343 -0.286 4.821 1.00 0.00 O ATOM 0 H GLU A 90 -15.982 4.435 5.083 1.00 0.00 H new ATOM 0 HA GLU A 90 -16.685 2.161 3.243 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -17.743 2.715 5.902 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -18.976 3.159 4.738 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -18.093 0.755 3.675 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -17.874 0.460 5.389 1.00 0.00 H new ATOM 1516 N ARG A 91 -16.691 4.570 2.080 1.00 0.00 N ATOM 1517 CA ARG A 91 -17.139 5.656 1.161 1.00 0.00 C ATOM 1518 C ARG A 91 -17.679 6.844 1.963 1.00 0.00 C ATOM 1519 O ARG A 91 -18.848 6.903 2.289 1.00 0.00 O ATOM 1520 CB ARG A 91 -18.251 5.029 0.319 1.00 0.00 C ATOM 1521 CG ARG A 91 -17.647 4.397 -0.937 1.00 0.00 C ATOM 1522 CD ARG A 91 -18.059 5.211 -2.166 1.00 0.00 C ATOM 1523 NE ARG A 91 -18.374 4.198 -3.211 1.00 0.00 N ATOM 1524 CZ ARG A 91 -19.609 3.822 -3.405 1.00 0.00 C ATOM 1525 NH1 ARG A 91 -20.444 4.617 -4.015 1.00 0.00 N ATOM 1526 NH2 ARG A 91 -20.006 2.651 -2.990 1.00 0.00 N ATOM 0 H ARG A 91 -15.731 4.253 1.943 1.00 0.00 H new ATOM 0 HA ARG A 91 -16.324 6.035 0.545 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -18.780 4.274 0.900 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -18.983 5.788 0.041 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -16.560 4.366 -0.855 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -17.988 3.367 -1.039 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -18.924 5.839 -1.952 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -17.256 5.874 -2.488 1.00 0.00 H new ATOM 0 HE ARG A 91 -17.625 3.798 -3.775 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -20.132 5.532 -4.340 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -21.409 4.324 -4.167 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -19.352 2.030 -2.514 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -20.971 2.356 -3.141 1.00 0.00 H new ATOM 1540 N SER A 92 -16.839 7.793 2.280 1.00 0.00 N ATOM 1541 CA SER A 92 -17.307 8.976 3.059 1.00 0.00 C ATOM 1542 C SER A 92 -16.133 9.909 3.369 1.00 0.00 C ATOM 1543 O SER A 92 -15.265 9.589 4.155 1.00 0.00 O ATOM 1544 CB SER A 92 -17.884 8.398 4.351 1.00 0.00 C ATOM 1545 OG SER A 92 -16.957 7.474 4.905 1.00 0.00 O ATOM 0 H SER A 92 -15.849 7.800 2.033 1.00 0.00 H new ATOM 0 HA SER A 92 -18.042 9.564 2.509 1.00 0.00 H new ATOM 0 HB2 SER A 92 -18.087 9.198 5.063 1.00 0.00 H new ATOM 0 HB3 SER A 92 -18.833 7.902 4.149 1.00 0.00 H new ATOM 0 HG SER A 92 -16.062 7.873 4.912 1.00 0.00 H new ATOM 1551 N GLY A 93 -16.101 11.063 2.758 1.00 0.00 N ATOM 1552 CA GLY A 93 -14.982 12.013 3.022 1.00 0.00 C ATOM 1553 C GLY A 93 -15.041 13.170 2.025 1.00 0.00 C ATOM 1554 O GLY A 93 -15.742 13.116 1.035 1.00 0.00 O ATOM 0 H GLY A 93 -16.799 11.388 2.089 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -15.049 12.395 4.041 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -14.026 11.496 2.938 1.00 0.00 H new ATOM 1558 N VAL A 94 -14.307 14.220 2.280 1.00 0.00 N ATOM 1559 CA VAL A 94 -14.315 15.384 1.348 1.00 0.00 C ATOM 1560 C VAL A 94 -13.037 15.395 0.506 1.00 0.00 C ATOM 1561 O VAL A 94 -12.067 14.739 0.828 1.00 0.00 O ATOM 1562 CB VAL A 94 -14.370 16.614 2.253 1.00 0.00 C ATOM 1563 CG1 VAL A 94 -14.469 17.878 1.396 1.00 0.00 C ATOM 1564 CG2 VAL A 94 -15.593 16.522 3.169 1.00 0.00 C ATOM 0 H VAL A 94 -13.702 14.322 3.095 1.00 0.00 H new ATOM 0 HA VAL A 94 -15.154 15.351 0.653 1.00 0.00 H new ATOM 0 HB VAL A 94 -13.465 16.657 2.859 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -14.508 18.754 2.043 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -13.597 17.946 0.746 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -15.373 17.835 0.788 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -15.631 17.400 3.814 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -16.498 16.477 2.564 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -15.521 15.624 3.782 1.00 0.00 H new ATOM 1574 N ASN A 95 -13.027 16.136 -0.568 1.00 0.00 N ATOM 1575 CA ASN A 95 -11.808 16.187 -1.424 1.00 0.00 C ATOM 1576 C ASN A 95 -10.573 16.476 -0.565 1.00 0.00 C ATOM 1577 O ASN A 95 -9.509 15.933 -0.786 1.00 0.00 O ATOM 1578 CB ASN A 95 -12.058 17.330 -2.409 1.00 0.00 C ATOM 1579 CG ASN A 95 -12.534 18.569 -1.647 1.00 0.00 C ATOM 1580 OD1 ASN A 95 -13.675 18.642 -1.235 1.00 0.00 O ATOM 1581 ND2 ASN A 95 -11.703 19.555 -1.444 1.00 0.00 N ATOM 0 H ASN A 95 -13.809 16.707 -0.889 1.00 0.00 H new ATOM 0 HA ASN A 95 -11.625 15.243 -1.938 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -11.144 17.557 -2.958 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -12.806 17.033 -3.144 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -12.011 20.386 -0.940 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -10.745 19.494 -1.790 1.00 0.00 H new ATOM 1588 N SER A 96 -10.708 17.326 0.418 1.00 0.00 N ATOM 1589 CA SER A 96 -9.545 17.646 1.295 1.00 0.00 C ATOM 1590 C SER A 96 -9.347 16.540 2.333 1.00 0.00 C ATOM 1591 O SER A 96 -8.256 16.040 2.522 1.00 0.00 O ATOM 1592 CB SER A 96 -9.916 18.962 1.978 1.00 0.00 C ATOM 1593 OG SER A 96 -10.731 19.731 1.103 1.00 0.00 O ATOM 0 H SER A 96 -11.574 17.812 0.651 1.00 0.00 H new ATOM 0 HA SER A 96 -8.614 17.726 0.735 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.447 18.765 2.909 1.00 0.00 H new ATOM 0 HB3 SER A 96 -9.015 19.518 2.237 1.00 0.00 H new ATOM 0 HG SER A 96 -10.972 20.575 1.538 1.00 0.00 H new ATOM 1599 N GLU A 97 -10.396 16.152 3.006 1.00 0.00 N ATOM 1600 CA GLU A 97 -10.271 15.077 4.032 1.00 0.00 C ATOM 1601 C GLU A 97 -9.890 13.753 3.364 1.00 0.00 C ATOM 1602 O GLU A 97 -9.235 12.915 3.952 1.00 0.00 O ATOM 1603 CB GLU A 97 -11.657 14.975 4.670 1.00 0.00 C ATOM 1604 CG GLU A 97 -11.513 14.741 6.176 1.00 0.00 C ATOM 1605 CD GLU A 97 -11.647 16.073 6.914 1.00 0.00 C ATOM 1606 OE1 GLU A 97 -12.738 16.620 6.918 1.00 0.00 O ATOM 1607 OE2 GLU A 97 -10.656 16.524 7.466 1.00 0.00 O ATOM 0 H GLU A 97 -11.335 16.533 2.890 1.00 0.00 H new ATOM 0 HA GLU A 97 -9.498 15.296 4.769 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -12.221 15.889 4.486 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -12.218 14.158 4.217 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -12.276 14.044 6.521 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -10.546 14.288 6.394 1.00 0.00 H new ATOM 1614 N LEU A 98 -10.294 13.558 2.138 1.00 0.00 N ATOM 1615 CA LEU A 98 -9.955 12.288 1.434 1.00 0.00 C ATOM 1616 C LEU A 98 -8.465 12.263 1.083 1.00 0.00 C ATOM 1617 O LEU A 98 -7.730 11.394 1.510 1.00 0.00 O ATOM 1618 CB LEU A 98 -10.805 12.300 0.164 1.00 0.00 C ATOM 1619 CG LEU A 98 -12.279 12.119 0.532 1.00 0.00 C ATOM 1620 CD1 LEU A 98 -13.155 12.737 -0.557 1.00 0.00 C ATOM 1621 CD2 LEU A 98 -12.592 10.626 0.652 1.00 0.00 C ATOM 0 H LEU A 98 -10.844 14.223 1.594 1.00 0.00 H new ATOM 0 HA LEU A 98 -10.153 11.409 2.047 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -10.666 13.240 -0.370 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -10.486 11.502 -0.507 1.00 0.00 H new ATOM 0 HG LEU A 98 -12.481 12.612 1.483 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -14.205 12.608 -0.296 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -12.930 13.800 -0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -12.955 12.244 -1.508 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -13.642 10.494 0.914 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -12.391 10.135 -0.300 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -11.966 10.184 1.427 1.00 0.00 H new ATOM 1633 N VAL A 99 -8.013 13.212 0.311 1.00 0.00 N ATOM 1634 CA VAL A 99 -6.570 13.245 -0.062 1.00 0.00 C ATOM 1635 C VAL A 99 -5.703 13.283 1.202 1.00 0.00 C ATOM 1636 O VAL A 99 -4.900 12.404 1.443 1.00 0.00 O ATOM 1637 CB VAL A 99 -6.403 14.532 -0.875 1.00 0.00 C ATOM 1638 CG1 VAL A 99 -4.928 14.933 -0.917 1.00 0.00 C ATOM 1639 CG2 VAL A 99 -6.908 14.299 -2.302 1.00 0.00 C ATOM 0 H VAL A 99 -8.580 13.966 -0.078 1.00 0.00 H new ATOM 0 HA VAL A 99 -6.264 12.366 -0.629 1.00 0.00 H new ATOM 0 HB VAL A 99 -6.978 15.331 -0.407 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.816 15.849 -1.497 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.567 15.100 0.098 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.347 14.136 -1.382 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.790 15.213 -2.883 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.332 13.498 -2.765 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.961 14.020 -2.274 1.00 0.00 H new ATOM 1649 N LYS A 100 -5.865 14.295 2.011 1.00 0.00 N ATOM 1650 CA LYS A 100 -5.057 14.389 3.262 1.00 0.00 C ATOM 1651 C LYS A 100 -5.102 13.061 4.021 1.00 0.00 C ATOM 1652 O LYS A 100 -4.193 12.719 4.751 1.00 0.00 O ATOM 1653 CB LYS A 100 -5.724 15.499 4.079 1.00 0.00 C ATOM 1654 CG LYS A 100 -5.125 15.536 5.489 1.00 0.00 C ATOM 1655 CD LYS A 100 -4.097 16.663 5.578 1.00 0.00 C ATOM 1656 CE LYS A 100 -2.720 16.129 5.178 1.00 0.00 C ATOM 1657 NZ LYS A 100 -2.345 16.908 3.965 1.00 0.00 N ATOM 0 H LYS A 100 -6.522 15.061 1.860 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.007 14.604 3.063 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -5.581 16.461 3.588 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.799 15.327 4.135 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -5.913 15.690 6.226 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -4.654 14.581 5.720 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -4.385 17.485 4.922 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -4.064 17.061 6.592 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -1.994 16.270 5.978 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -2.757 15.061 4.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -1.442 16.553 3.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -3.085 16.803 3.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -2.245 17.913 4.215 1.00 0.00 H new ATOM 1671 N ARG A 101 -6.159 12.313 3.862 1.00 0.00 N ATOM 1672 CA ARG A 101 -6.267 11.012 4.582 1.00 0.00 C ATOM 1673 C ARG A 101 -5.231 10.019 4.051 1.00 0.00 C ATOM 1674 O ARG A 101 -4.644 9.263 4.800 1.00 0.00 O ATOM 1675 CB ARG A 101 -7.684 10.516 4.297 1.00 0.00 C ATOM 1676 CG ARG A 101 -8.509 10.558 5.584 1.00 0.00 C ATOM 1677 CD ARG A 101 -8.348 9.237 6.341 1.00 0.00 C ATOM 1678 NE ARG A 101 -8.776 9.541 7.734 1.00 0.00 N ATOM 1679 CZ ARG A 101 -8.708 8.620 8.655 1.00 0.00 C ATOM 1680 NH1 ARG A 101 -7.717 7.772 8.656 1.00 0.00 N ATOM 1681 NH2 ARG A 101 -9.626 8.551 9.578 1.00 0.00 N ATOM 0 H ARG A 101 -6.953 12.546 3.265 1.00 0.00 H new ATOM 0 HA ARG A 101 -6.080 11.118 5.651 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -8.151 11.137 3.533 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -7.653 9.499 3.906 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -8.183 11.389 6.210 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -9.560 10.728 5.349 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -8.963 8.452 5.901 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -7.316 8.888 6.312 1.00 0.00 H new ATOM 0 HE ARG A 101 -9.123 10.471 7.969 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -6.996 7.829 7.937 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -7.663 7.051 9.376 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -10.398 9.218 9.580 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -9.572 7.830 10.298 1.00 0.00 H new ATOM 1695 N ILE A 102 -4.998 10.010 2.766 1.00 0.00 N ATOM 1696 CA ILE A 102 -3.995 9.058 2.207 1.00 0.00 C ATOM 1697 C ILE A 102 -2.587 9.499 2.616 1.00 0.00 C ATOM 1698 O ILE A 102 -1.700 8.688 2.799 1.00 0.00 O ATOM 1699 CB ILE A 102 -4.174 9.103 0.680 1.00 0.00 C ATOM 1700 CG1 ILE A 102 -3.415 10.299 0.099 1.00 0.00 C ATOM 1701 CG2 ILE A 102 -5.660 9.225 0.332 1.00 0.00 C ATOM 1702 CD1 ILE A 102 -1.992 9.865 -0.267 1.00 0.00 C ATOM 0 H ILE A 102 -5.455 10.615 2.084 1.00 0.00 H new ATOM 0 HA ILE A 102 -4.134 8.043 2.580 1.00 0.00 H new ATOM 0 HB ILE A 102 -3.777 8.182 0.253 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -3.930 10.678 -0.784 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -3.385 11.112 0.824 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -5.779 9.256 -0.751 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -6.199 8.366 0.731 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -6.062 10.140 0.768 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -1.448 10.714 -0.681 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -1.480 9.507 0.626 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -2.034 9.065 -1.007 1.00 0.00 H new ATOM 1714 N LEU A 103 -2.380 10.780 2.774 1.00 0.00 N ATOM 1715 CA LEU A 103 -1.036 11.273 3.187 1.00 0.00 C ATOM 1716 C LEU A 103 -0.766 10.851 4.631 1.00 0.00 C ATOM 1717 O LEU A 103 0.360 10.626 5.027 1.00 0.00 O ATOM 1718 CB LEU A 103 -1.115 12.797 3.072 1.00 0.00 C ATOM 1719 CG LEU A 103 -1.539 13.183 1.654 1.00 0.00 C ATOM 1720 CD1 LEU A 103 -1.816 14.687 1.595 1.00 0.00 C ATOM 1721 CD2 LEU A 103 -0.416 12.834 0.674 1.00 0.00 C ATOM 0 H LEU A 103 -3.084 11.505 2.635 1.00 0.00 H new ATOM 0 HA LEU A 103 -0.231 10.870 2.573 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.829 13.190 3.796 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.147 13.240 3.306 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.442 12.636 1.384 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.118 14.962 0.584 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -2.615 14.938 2.293 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -0.913 15.234 1.865 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -0.717 13.109 -0.337 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.487 13.381 0.945 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.217 11.763 0.715 1.00 0.00 H new ATOM 1733 N ASN A 104 -1.803 10.727 5.415 1.00 0.00 N ATOM 1734 CA ASN A 104 -1.625 10.303 6.831 1.00 0.00 C ATOM 1735 C ASN A 104 -1.942 8.811 6.958 1.00 0.00 C ATOM 1736 O ASN A 104 -1.633 8.183 7.950 1.00 0.00 O ATOM 1737 CB ASN A 104 -2.623 11.140 7.632 1.00 0.00 C ATOM 1738 CG ASN A 104 -2.153 12.595 7.675 1.00 0.00 C ATOM 1739 OD1 ASN A 104 -2.204 13.317 6.589 1.00 0.00 O flip ATOM 1740 ND2 ASN A 104 -1.734 13.080 8.708 1.00 0.00 N flip ATOM 0 H ASN A 104 -2.768 10.902 5.134 1.00 0.00 H new ATOM 0 HA ASN A 104 -0.606 10.451 7.189 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -3.612 11.080 7.177 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -2.714 10.746 8.644 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -1.694 12.516 9.557 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -1.422 14.051 8.726 1.00 0.00 H new ATOM 1747 N PHE A 105 -2.555 8.239 5.953 1.00 0.00 N ATOM 1748 CA PHE A 105 -2.884 6.786 6.010 1.00 0.00 C ATOM 1749 C PHE A 105 -1.973 6.007 5.056 1.00 0.00 C ATOM 1750 O PHE A 105 -1.075 5.309 5.478 1.00 0.00 O ATOM 1751 CB PHE A 105 -4.349 6.680 5.572 1.00 0.00 C ATOM 1752 CG PHE A 105 -4.946 5.401 6.112 1.00 0.00 C ATOM 1753 CD1 PHE A 105 -4.253 4.189 5.984 1.00 0.00 C ATOM 1754 CD2 PHE A 105 -6.193 5.428 6.747 1.00 0.00 C ATOM 1755 CE1 PHE A 105 -4.807 3.008 6.493 1.00 0.00 C ATOM 1756 CE2 PHE A 105 -6.748 4.247 7.253 1.00 0.00 C ATOM 1757 CZ PHE A 105 -6.055 3.038 7.126 1.00 0.00 C ATOM 0 H PHE A 105 -2.841 8.716 5.098 1.00 0.00 H new ATOM 0 HA PHE A 105 -2.736 6.368 7.006 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -4.912 7.539 5.937 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -4.416 6.694 4.484 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -3.292 4.166 5.493 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -6.728 6.361 6.847 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -4.272 2.075 6.397 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -7.711 4.269 7.741 1.00 0.00 H new ATOM 0 HZ PHE A 105 -6.484 2.127 7.517 1.00 0.00 H new ATOM 1767 N LEU A 106 -2.192 6.119 3.773 1.00 0.00 N ATOM 1768 CA LEU A 106 -1.329 5.382 2.808 1.00 0.00 C ATOM 1769 C LEU A 106 0.142 5.667 3.110 1.00 0.00 C ATOM 1770 O LEU A 106 0.992 4.808 2.983 1.00 0.00 O ATOM 1771 CB LEU A 106 -1.716 5.924 1.433 1.00 0.00 C ATOM 1772 CG LEU A 106 -2.869 5.094 0.865 1.00 0.00 C ATOM 1773 CD1 LEU A 106 -2.355 3.709 0.466 1.00 0.00 C ATOM 1774 CD2 LEU A 106 -3.960 4.945 1.926 1.00 0.00 C ATOM 0 H LEU A 106 -2.928 6.687 3.354 1.00 0.00 H new ATOM 0 HA LEU A 106 -1.464 4.302 2.865 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -2.011 6.970 1.512 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -0.859 5.885 0.760 1.00 0.00 H new ATOM 0 HG LEU A 106 -3.279 5.595 -0.012 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -3.177 3.118 0.062 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -1.577 3.814 -0.290 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -1.944 3.207 1.342 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -4.782 4.354 1.522 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -3.549 4.444 2.803 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -4.328 5.931 2.211 1.00 0.00 H new ATOM 1786 N MET A 107 0.449 6.866 3.521 1.00 0.00 N ATOM 1787 CA MET A 107 1.863 7.205 3.842 1.00 0.00 C ATOM 1788 C MET A 107 2.152 6.898 5.316 1.00 0.00 C ATOM 1789 O MET A 107 3.234 7.142 5.811 1.00 0.00 O ATOM 1790 CB MET A 107 1.987 8.704 3.568 1.00 0.00 C ATOM 1791 CG MET A 107 3.057 8.939 2.499 1.00 0.00 C ATOM 1792 SD MET A 107 2.457 8.337 0.900 1.00 0.00 S ATOM 1793 CE MET A 107 0.889 9.239 0.892 1.00 0.00 C ATOM 0 H MET A 107 -0.219 7.626 3.648 1.00 0.00 H new ATOM 0 HA MET A 107 2.573 6.628 3.250 1.00 0.00 H new ATOM 0 HB2 MET A 107 1.030 9.104 3.234 1.00 0.00 H new ATOM 0 HB3 MET A 107 2.251 9.232 4.484 1.00 0.00 H new ATOM 0 HG2 MET A 107 3.294 10.001 2.434 1.00 0.00 H new ATOM 0 HG3 MET A 107 3.978 8.423 2.771 1.00 0.00 H new ATOM 0 HE1 MET A 107 0.567 9.400 -0.137 1.00 0.00 H new ATOM 0 HE2 MET A 107 0.133 8.660 1.423 1.00 0.00 H new ATOM 0 HE3 MET A 107 1.021 10.202 1.385 1.00 0.00 H new ATOM 1803 N HIS A 108 1.188 6.361 6.018 1.00 0.00 N ATOM 1804 CA HIS A 108 1.400 6.031 7.458 1.00 0.00 C ATOM 1805 C HIS A 108 0.078 5.607 8.101 1.00 0.00 C ATOM 1806 O HIS A 108 -0.521 6.353 8.848 1.00 0.00 O ATOM 1807 CB HIS A 108 1.928 7.315 8.096 1.00 0.00 C ATOM 1808 CG HIS A 108 3.306 7.063 8.647 1.00 0.00 C ATOM 1809 ND1 HIS A 108 4.419 6.473 8.100 1.00 0.00 N flip ATOM 1810 CD2 HIS A 108 3.666 7.435 9.932 1.00 0.00 C flip ATOM 1811 CE1 HIS A 108 5.456 6.480 9.028 1.00 0.00 C flip ATOM 1812 NE2 HIS A 108 4.948 7.070 10.115 1.00 0.00 N flip ATOM 0 H HIS A 108 0.262 6.137 5.655 1.00 0.00 H new ATOM 0 HA HIS A 108 2.097 5.204 7.592 1.00 0.00 H new ATOM 0 HB2 HIS A 108 1.959 8.116 7.357 1.00 0.00 H new ATOM 0 HB3 HIS A 108 1.259 7.642 8.892 1.00 0.00 H new ATOM 0 HD2 HIS A 108 3.033 7.928 10.655 1.00 0.00 H new ATOM 0 HE1 HIS A 108 6.456 6.092 8.898 1.00 0.00 H new ATOM 0 HE2 HIS A 108 5.469 7.225 10.978 1.00 0.00 H new ATOM 1820 N PRO A 109 -0.328 4.410 7.782 1.00 0.00 N ATOM 1821 CA PRO A 109 -1.593 3.861 8.328 1.00 0.00 C ATOM 1822 C PRO A 109 -1.428 3.518 9.812 1.00 0.00 C ATOM 1823 O PRO A 109 -1.654 4.340 10.676 1.00 0.00 O ATOM 1824 CB PRO A 109 -1.827 2.606 7.492 1.00 0.00 C ATOM 1825 CG PRO A 109 -0.469 2.202 7.009 1.00 0.00 C ATOM 1826 CD PRO A 109 0.349 3.460 6.892 1.00 0.00 C ATOM 0 HA PRO A 109 -2.428 4.560 8.274 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -2.285 1.816 8.087 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -2.499 2.807 6.658 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -0.004 1.503 7.705 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -0.537 1.695 6.046 1.00 0.00 H new ATOM 0 HD2 PRO A 109 1.382 3.294 7.198 1.00 0.00 H new ATOM 0 HD3 PRO A 109 0.375 3.825 5.865 1.00 0.00 H new ATOM 1834 N LYS A 110 -1.035 2.309 10.113 1.00 0.00 N ATOM 1835 CA LYS A 110 -0.854 1.912 11.541 1.00 0.00 C ATOM 1836 C LYS A 110 -2.131 2.208 12.342 1.00 0.00 C ATOM 1837 O LYS A 110 -2.183 1.825 13.499 1.00 0.00 O ATOM 1838 CB LYS A 110 0.349 2.745 12.034 1.00 0.00 C ATOM 1839 CG LYS A 110 -0.095 3.834 13.023 1.00 0.00 C ATOM 1840 CD LYS A 110 1.006 4.886 13.160 1.00 0.00 C ATOM 1841 CE LYS A 110 1.370 5.432 11.777 1.00 0.00 C ATOM 1842 NZ LYS A 110 2.746 4.922 11.516 1.00 0.00 N ATOM 0 H LYS A 110 -0.831 1.578 9.431 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.669 0.845 11.665 1.00 0.00 H new ATOM 0 HB2 LYS A 110 1.076 2.090 12.514 1.00 0.00 H new ATOM 0 HB3 LYS A 110 0.849 3.206 11.182 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -1.016 4.301 12.675 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -0.310 3.390 13.995 1.00 0.00 H new ATOM 0 HD2 LYS A 110 0.669 5.697 13.805 1.00 0.00 H new ATOM 0 HD3 LYS A 110 1.885 4.447 13.632 1.00 0.00 H new ATOM 0 HE2 LYS A 110 0.669 5.085 11.018 1.00 0.00 H new ATOM 0 HE3 LYS A 110 1.343 6.522 11.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 2.921 4.904 10.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 3.440 5.546 11.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 2.838 3.960 11.900 1.00 0.00 H new