USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 689 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 30 SER OG : rot -50:sc= -0.321 USER MOD Set 1.2: A 62 GLN : amide:sc= -0.863! C(o=-1.1!,f=-6.9!) USER MOD Set 1.3: A 80 ASN :FLIP amide:sc= 0.0457 F(o=-1.8,f=-1.1) USER MOD Set 2.1: A 22 HIS :FLIP no HD1:sc= -0.348 F(o=-2.5!,f=-0.34) USER MOD Set 2.2: A 59 SER OG : rot -150:sc= 0.0125 USER MOD Single : A 25 GLN : amide:sc= 0.842 K(o=0.84,f=-5.8!) USER MOD Single : A 27 SER OG : rot 20:sc= -2.59! USER MOD Single : A 31 GLN : amide:sc= 0.142 K(o=0.14,f=-0.4) USER MOD Single : A 39 LYS NZ :NH3+ -168:sc=-0.00807 (180deg=-0.176) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 165:sc= -0.0208 (180deg=-0.301) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN :FLIP amide:sc= -0.0626 F(o=-1.9!,f=-0.063) USER MOD Single : A 64 LYS NZ :NH3+ -172:sc= -0.482! (180deg=-0.723!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN :FLIP amide:sc=-0.00483 F(o=-0.62,f=-0.0048) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 ASN :FLIP amide:sc= -0.408 F(o=-1.3!,f=-0.41) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 83 SER OG : rot 53:sc= 0.941 USER MOD Single : A 86 GLN :FLIP amide:sc= -0.152 F(o=-1.7!,f=-0.15) USER MOD Single : A 88 THR OG1 : rot 2:sc= 1.37 USER MOD Single : A 93 ASN : amide:sc= -0.0732 K(o=-0.073,f=-1.3!) USER MOD Single : A 96 SER OG : rot 150:sc= 1.07 USER MOD Single : A 98 LYS NZ :NH3+ -131:sc= -0.0293 (180deg=-0.248) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 15 3.052 -11.642 -2.671 1.00 0.00 N ATOM 2 CA GLY A 15 4.291 -12.389 -2.968 1.00 0.00 C ATOM 3 C GLY A 15 5.510 -11.511 -2.878 1.00 0.00 C ATOM 4 O GLY A 15 6.274 -11.359 -3.834 1.00 0.00 O ATOM 0 HA2 GLY A 15 4.390 -13.220 -2.270 1.00 0.00 H new ATOM 0 HA3 GLY A 15 4.226 -12.818 -3.968 1.00 0.00 H new ATOM 8 N LEU A 16 5.718 -10.942 -1.721 1.00 0.00 N ATOM 9 CA LEU A 16 6.806 -10.071 -1.505 1.00 0.00 C ATOM 10 C LEU A 16 7.279 -10.149 -0.100 1.00 0.00 C ATOM 11 O LEU A 16 6.634 -10.782 0.735 1.00 0.00 O ATOM 12 CB LEU A 16 6.538 -8.616 -1.934 1.00 0.00 C ATOM 13 CG LEU A 16 5.193 -7.925 -1.680 1.00 0.00 C ATOM 14 CD1 LEU A 16 4.649 -8.176 -0.310 1.00 0.00 C ATOM 15 CD2 LEU A 16 5.400 -6.440 -1.854 1.00 0.00 C ATOM 0 H LEU A 16 5.123 -11.081 -0.904 1.00 0.00 H new ATOM 0 HA LEU A 16 7.604 -10.420 -2.160 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.301 -8.002 -1.455 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.718 -8.568 -3.008 1.00 0.00 H new ATOM 0 HG LEU A 16 4.469 -8.331 -2.387 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.696 -7.659 -0.196 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.500 -9.246 -0.168 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.354 -7.806 0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.459 -5.919 -1.680 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.146 -6.091 -1.140 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.745 -6.237 -2.868 1.00 0.00 H new ATOM 27 N ARG A 17 8.364 -9.484 0.180 1.00 0.00 N ATOM 28 CA ARG A 17 8.928 -9.543 1.489 1.00 0.00 C ATOM 29 C ARG A 17 8.262 -8.508 2.343 1.00 0.00 C ATOM 30 O ARG A 17 8.129 -8.700 3.557 1.00 0.00 O ATOM 31 CB ARG A 17 10.412 -9.264 1.503 1.00 0.00 C ATOM 32 CG ARG A 17 11.238 -9.920 0.433 1.00 0.00 C ATOM 33 CD ARG A 17 12.706 -9.618 0.662 1.00 0.00 C ATOM 34 NE ARG A 17 12.922 -8.222 1.090 1.00 0.00 N ATOM 35 CZ ARG A 17 14.100 -7.654 1.360 1.00 0.00 C ATOM 36 NH1 ARG A 17 15.248 -8.303 1.164 1.00 0.00 N ATOM 37 NH2 ARG A 17 14.118 -6.435 1.852 1.00 0.00 N ATOM 0 H ARG A 17 8.871 -8.897 -0.482 1.00 0.00 H new ATOM 0 HA ARG A 17 8.770 -10.555 1.862 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.555 -8.186 1.429 1.00 0.00 H new ATOM 0 HB3 ARG A 17 10.806 -9.572 2.472 1.00 0.00 H new ATOM 0 HG2 ARG A 17 11.073 -10.997 0.442 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.932 -9.559 -0.549 1.00 0.00 H new ATOM 0 HD2 ARG A 17 13.102 -10.295 1.419 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.263 -9.806 -0.256 1.00 0.00 H new ATOM 0 HE ARG A 17 12.093 -7.636 1.189 1.00 0.00 H new ATOM 0 HH11 ARG A 17 15.239 -9.256 0.800 1.00 0.00 H new ATOM 0 HH12 ARG A 17 16.135 -7.847 1.378 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.242 -5.940 2.021 1.00 0.00 H new ATOM 0 HH22 ARG A 17 15.008 -5.984 2.065 1.00 0.00 H new ATOM 51 N GLU A 18 7.853 -7.383 1.729 1.00 0.00 N ATOM 52 CA GLU A 18 7.168 -6.339 2.520 1.00 0.00 C ATOM 53 C GLU A 18 6.394 -5.298 1.737 1.00 0.00 C ATOM 54 O GLU A 18 6.776 -4.921 0.627 1.00 0.00 O ATOM 55 CB GLU A 18 8.090 -5.561 3.496 1.00 0.00 C ATOM 56 CG GLU A 18 9.428 -5.040 2.969 1.00 0.00 C ATOM 57 CD GLU A 18 10.567 -6.010 3.163 1.00 0.00 C ATOM 58 OE1 GLU A 18 10.855 -6.360 4.323 1.00 0.00 O ATOM 59 OE2 GLU A 18 11.204 -6.420 2.187 1.00 0.00 O ATOM 0 H GLU A 18 7.975 -7.176 0.738 1.00 0.00 H new ATOM 0 HA GLU A 18 6.461 -6.963 3.067 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.528 -4.708 3.876 1.00 0.00 H new ATOM 0 HB3 GLU A 18 8.298 -6.211 4.346 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.329 -4.815 1.907 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.668 -4.103 3.472 1.00 0.00 H new ATOM 66 N ILE A 19 5.279 -4.856 2.344 1.00 0.00 N ATOM 67 CA ILE A 19 4.555 -3.653 1.940 1.00 0.00 C ATOM 68 C ILE A 19 4.449 -2.740 3.131 1.00 0.00 C ATOM 69 O ILE A 19 4.043 -3.152 4.232 1.00 0.00 O ATOM 70 CB ILE A 19 3.136 -3.929 1.356 1.00 0.00 C ATOM 71 CG1 ILE A 19 3.216 -4.309 -0.101 1.00 0.00 C ATOM 72 CG2 ILE A 19 2.145 -2.761 1.562 1.00 0.00 C ATOM 73 CD1 ILE A 19 3.581 -3.172 -1.020 1.00 0.00 C ATOM 0 H ILE A 19 4.855 -5.335 3.139 1.00 0.00 H new ATOM 0 HA ILE A 19 5.121 -3.193 1.130 1.00 0.00 H new ATOM 0 HB ILE A 19 2.738 -4.771 1.923 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.952 -5.105 -0.217 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.254 -4.717 -0.411 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.179 -3.023 1.131 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.026 -2.568 2.628 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.530 -1.867 1.072 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.616 -3.532 -2.048 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.833 -2.383 -0.937 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.558 -2.777 -0.740 1.00 0.00 H new ATOM 85 N ARG A 20 4.851 -1.537 2.936 1.00 0.00 N ATOM 86 CA ARG A 20 4.783 -0.539 3.945 1.00 0.00 C ATOM 87 C ARG A 20 4.119 0.681 3.372 1.00 0.00 C ATOM 88 O ARG A 20 4.691 1.406 2.558 1.00 0.00 O ATOM 89 CB ARG A 20 6.177 -0.215 4.498 1.00 0.00 C ATOM 90 CG ARG A 20 6.868 -1.418 5.116 1.00 0.00 C ATOM 91 CD ARG A 20 8.264 -1.100 5.601 1.00 0.00 C ATOM 92 NE ARG A 20 8.938 -2.317 6.067 1.00 0.00 N ATOM 93 CZ ARG A 20 10.249 -2.557 5.963 1.00 0.00 C ATOM 94 NH1 ARG A 20 11.084 -1.605 5.544 1.00 0.00 N ATOM 95 NH2 ARG A 20 10.721 -3.746 6.294 1.00 0.00 N ATOM 0 H ARG A 20 5.245 -1.210 2.054 1.00 0.00 H new ATOM 0 HA ARG A 20 4.193 -0.907 4.784 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.798 0.179 3.693 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.090 0.571 5.248 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.272 -1.785 5.951 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.917 -2.222 4.381 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.840 -0.645 4.795 1.00 0.00 H new ATOM 0 HD3 ARG A 20 8.217 -0.371 6.410 1.00 0.00 H new ATOM 0 HE ARG A 20 8.361 -3.036 6.504 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.724 -0.683 5.299 1.00 0.00 H new ATOM 0 HH12 ARG A 20 12.082 -1.799 5.469 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.086 -4.472 6.626 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.720 -3.937 6.218 1.00 0.00 H new ATOM 109 N ILE A 21 2.905 0.878 3.740 1.00 0.00 N ATOM 110 CA ILE A 21 2.171 2.020 3.287 1.00 0.00 C ATOM 111 C ILE A 21 2.679 3.217 3.975 1.00 0.00 C ATOM 112 O ILE A 21 2.645 3.282 5.171 1.00 0.00 O ATOM 113 CB ILE A 21 0.695 1.978 3.627 1.00 0.00 C ATOM 114 CG1 ILE A 21 0.341 0.848 4.587 1.00 0.00 C ATOM 115 CG2 ILE A 21 -0.161 1.954 2.369 1.00 0.00 C ATOM 116 CD1 ILE A 21 -1.006 1.013 5.214 1.00 0.00 C ATOM 0 H ILE A 21 2.386 0.258 4.362 1.00 0.00 H new ATOM 0 HA ILE A 21 2.295 2.033 2.204 1.00 0.00 H new ATOM 0 HB ILE A 21 0.468 2.901 4.160 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.372 -0.100 4.050 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.096 0.795 5.371 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.215 1.924 2.646 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.034 2.850 1.779 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.084 1.071 1.779 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.199 0.177 5.886 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.033 1.946 5.777 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.769 1.037 4.436 1.00 0.00 H new ATOM 128 N HIS A 22 3.142 4.142 3.254 1.00 0.00 N ATOM 129 CA HIS A 22 3.554 5.358 3.861 1.00 0.00 C ATOM 130 C HIS A 22 2.347 6.265 3.767 1.00 0.00 C ATOM 131 O HIS A 22 1.923 6.611 2.653 1.00 0.00 O ATOM 132 CB HIS A 22 4.768 5.964 3.119 1.00 0.00 C ATOM 133 CG HIS A 22 6.023 5.111 3.092 1.00 0.00 C ATOM 134 ND1 HIS A 22 6.488 4.176 3.960 1.00 0.00 N flip ATOM 135 CD2 HIS A 22 6.990 5.215 2.105 1.00 0.00 C flip ATOM 136 CE1 HIS A 22 7.699 3.746 3.489 1.00 0.00 C flip ATOM 137 NE2 HIS A 22 7.975 4.385 2.377 1.00 0.00 N flip ATOM 0 H HIS A 22 3.252 4.097 2.241 1.00 0.00 H new ATOM 0 HA HIS A 22 3.876 5.214 4.892 1.00 0.00 H new ATOM 0 HB2 HIS A 22 4.473 6.174 2.091 1.00 0.00 H new ATOM 0 HB3 HIS A 22 5.012 6.920 3.582 1.00 0.00 H new ATOM 0 HD2 HIS A 22 6.943 5.872 1.249 1.00 0.00 H new ATOM 0 HE1 HIS A 22 8.326 3.001 3.957 1.00 0.00 H new ATOM 0 HE2 HIS A 22 8.816 4.259 1.814 1.00 0.00 H new ATOM 146 N LEU A 23 1.833 6.673 4.902 1.00 0.00 N ATOM 147 CA LEU A 23 0.572 7.383 4.972 1.00 0.00 C ATOM 148 C LEU A 23 0.761 8.892 5.310 1.00 0.00 C ATOM 149 O LEU A 23 1.647 9.555 4.721 1.00 0.00 O ATOM 150 CB LEU A 23 -0.348 6.642 5.995 1.00 0.00 C ATOM 151 CG LEU A 23 -1.807 7.131 6.131 1.00 0.00 C ATOM 152 CD1 LEU A 23 -2.511 7.122 4.798 1.00 0.00 C ATOM 153 CD2 LEU A 23 -2.560 6.291 7.138 1.00 0.00 C ATOM 0 H LEU A 23 2.277 6.523 5.808 1.00 0.00 H new ATOM 0 HA LEU A 23 0.093 7.378 3.993 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.372 5.587 5.722 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.121 6.707 6.977 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.783 8.160 6.490 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.536 7.471 4.925 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.987 7.780 4.105 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.520 6.108 4.398 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.585 6.652 7.219 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.566 5.251 6.812 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.072 6.364 8.110 1.00 0.00 H new ATOM 165 N CYS A 24 -0.030 9.371 6.297 1.00 0.00 N ATOM 166 CA CYS A 24 -0.214 10.773 6.691 1.00 0.00 C ATOM 167 C CYS A 24 -1.209 11.447 5.762 1.00 0.00 C ATOM 168 O CYS A 24 -1.648 10.853 4.774 1.00 0.00 O ATOM 169 CB CYS A 24 1.081 11.589 6.760 1.00 0.00 C ATOM 170 SG CYS A 24 2.300 11.058 8.006 1.00 0.00 S ATOM 0 H CYS A 24 -0.590 8.742 6.872 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.599 10.747 7.710 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.557 11.559 5.780 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.821 12.629 6.957 1.00 0.00 H new ATOM 175 N GLN A 25 -1.606 12.651 6.101 1.00 0.00 N ATOM 176 CA GLN A 25 -2.459 13.445 5.261 1.00 0.00 C ATOM 177 C GLN A 25 -2.019 14.898 5.398 1.00 0.00 C ATOM 178 O GLN A 25 -2.692 15.733 6.030 1.00 0.00 O ATOM 179 CB GLN A 25 -3.953 13.229 5.609 1.00 0.00 C ATOM 180 CG GLN A 25 -4.963 13.884 4.656 1.00 0.00 C ATOM 181 CD GLN A 25 -4.775 13.465 3.205 1.00 0.00 C ATOM 182 OE1 GLN A 25 -5.314 12.455 2.752 1.00 0.00 O ATOM 183 NE2 GLN A 25 -4.063 14.260 2.457 1.00 0.00 N ATOM 0 H GLN A 25 -1.342 13.107 6.975 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.364 13.142 4.218 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -4.149 12.157 5.635 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -4.131 13.610 6.615 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -5.973 13.626 4.974 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.872 14.968 4.729 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.629 15.089 2.863 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.940 14.053 1.466 1.00 0.00 H new ATOM 192 N ARG A 26 -0.826 15.161 4.882 1.00 0.00 N ATOM 193 CA ARG A 26 -0.207 16.486 4.975 1.00 0.00 C ATOM 194 C ARG A 26 -0.253 17.232 3.643 1.00 0.00 C ATOM 195 O ARG A 26 -0.280 18.459 3.604 1.00 0.00 O ATOM 196 CB ARG A 26 1.252 16.395 5.472 1.00 0.00 C ATOM 197 CG ARG A 26 2.180 15.562 4.593 1.00 0.00 C ATOM 198 CD ARG A 26 3.638 15.706 5.008 1.00 0.00 C ATOM 199 NE ARG A 26 3.906 15.245 6.380 1.00 0.00 N ATOM 200 CZ ARG A 26 5.118 15.295 6.977 1.00 0.00 C ATOM 201 NH1 ARG A 26 6.153 15.832 6.347 1.00 0.00 N ATOM 202 NH2 ARG A 26 5.276 14.825 8.208 1.00 0.00 N ATOM 0 H ARG A 26 -0.259 14.471 4.389 1.00 0.00 H new ATOM 0 HA ARG A 26 -0.791 17.049 5.703 1.00 0.00 H new ATOM 0 HB2 ARG A 26 1.658 17.404 5.549 1.00 0.00 H new ATOM 0 HB3 ARG A 26 1.252 15.973 6.477 1.00 0.00 H new ATOM 0 HG2 ARG A 26 1.889 14.513 4.650 1.00 0.00 H new ATOM 0 HG3 ARG A 26 2.067 15.869 3.553 1.00 0.00 H new ATOM 0 HD2 ARG A 26 4.262 15.142 4.315 1.00 0.00 H new ATOM 0 HD3 ARG A 26 3.931 16.752 4.921 1.00 0.00 H new ATOM 0 HE ARG A 26 3.126 14.863 6.915 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.037 16.210 5.407 1.00 0.00 H new ATOM 0 HH12 ARG A 26 7.065 15.867 6.802 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.482 14.424 8.707 1.00 0.00 H new ATOM 0 HH22 ARG A 26 6.192 14.864 8.655 1.00 0.00 H new ATOM 216 N SER A 27 -0.249 16.497 2.578 1.00 0.00 N ATOM 217 CA SER A 27 -0.260 17.050 1.243 1.00 0.00 C ATOM 218 C SER A 27 -1.715 16.785 0.699 1.00 0.00 C ATOM 219 O SER A 27 -2.575 16.442 1.533 1.00 0.00 O ATOM 220 CB SER A 27 0.864 16.293 0.471 1.00 0.00 C ATOM 221 OG SER A 27 1.408 17.023 -0.608 1.00 0.00 O ATOM 0 H SER A 27 -0.238 15.477 2.601 1.00 0.00 H new ATOM 0 HA SER A 27 -0.059 18.118 1.157 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.664 16.042 1.167 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.463 15.352 0.095 1.00 0.00 H new ATOM 0 HG SER A 27 1.213 17.976 -0.489 1.00 0.00 H new ATOM 227 N PRO A 28 -2.054 17.034 -0.629 1.00 0.00 N ATOM 228 CA PRO A 28 -3.364 16.691 -1.238 1.00 0.00 C ATOM 229 C PRO A 28 -4.029 15.403 -0.707 1.00 0.00 C ATOM 230 O PRO A 28 -3.348 14.419 -0.321 1.00 0.00 O ATOM 231 CB PRO A 28 -2.974 16.507 -2.693 1.00 0.00 C ATOM 232 CG PRO A 28 -1.994 17.593 -2.927 1.00 0.00 C ATOM 233 CD PRO A 28 -1.240 17.769 -1.627 1.00 0.00 C ATOM 0 HA PRO A 28 -4.111 17.455 -1.022 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -2.535 15.525 -2.870 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.836 16.595 -3.354 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.314 17.336 -3.739 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.497 18.517 -3.213 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.231 17.363 -1.694 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.143 18.822 -1.363 1.00 0.00 H new ATOM 241 N GLY A 29 -5.358 15.422 -0.701 1.00 0.00 N ATOM 242 CA GLY A 29 -6.156 14.321 -0.216 1.00 0.00 C ATOM 243 C GLY A 29 -5.804 13.023 -0.887 1.00 0.00 C ATOM 244 O GLY A 29 -5.702 12.948 -2.115 1.00 0.00 O ATOM 0 H GLY A 29 -5.908 16.212 -1.037 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.017 14.221 0.860 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -7.211 14.539 -0.382 1.00 0.00 H new ATOM 248 N SER A 30 -5.555 12.022 -0.101 1.00 0.00 N ATOM 249 CA SER A 30 -5.176 10.758 -0.615 1.00 0.00 C ATOM 250 C SER A 30 -6.228 9.725 -0.324 1.00 0.00 C ATOM 251 O SER A 30 -6.341 9.199 0.774 1.00 0.00 O ATOM 252 CB SER A 30 -3.850 10.381 -0.083 1.00 0.00 C ATOM 253 OG SER A 30 -2.913 11.402 -0.364 1.00 0.00 O ATOM 0 H SER A 30 -5.611 12.066 0.916 1.00 0.00 H new ATOM 0 HA SER A 30 -5.093 10.817 -1.700 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.913 10.218 0.993 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.523 9.442 -0.529 1.00 0.00 H new ATOM 0 HG SER A 30 -2.967 11.643 -1.312 1.00 0.00 H new ATOM 259 N GLN A 31 -6.908 9.380 -1.354 1.00 0.00 N ATOM 260 CA GLN A 31 -8.135 8.628 -1.262 1.00 0.00 C ATOM 261 C GLN A 31 -7.872 7.192 -1.395 1.00 0.00 C ATOM 262 O GLN A 31 -8.511 6.396 -0.722 1.00 0.00 O ATOM 263 CB GLN A 31 -9.172 9.097 -2.279 1.00 0.00 C ATOM 264 CG GLN A 31 -8.696 9.032 -3.716 1.00 0.00 C ATOM 265 CD GLN A 31 -9.754 9.407 -4.708 1.00 0.00 C ATOM 266 OE1 GLN A 31 -10.631 10.227 -4.428 1.00 0.00 O ATOM 267 NE2 GLN A 31 -9.697 8.790 -5.856 1.00 0.00 N ATOM 0 H GLN A 31 -6.635 9.609 -2.310 1.00 0.00 H new ATOM 0 HA GLN A 31 -8.557 8.810 -0.274 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -10.069 8.487 -2.176 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -9.456 10.123 -2.047 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.841 9.697 -3.839 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.348 8.022 -3.931 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -8.950 8.120 -6.038 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -10.399 8.978 -6.571 1.00 0.00 H new ATOM 276 N GLY A 32 -6.928 6.859 -2.290 1.00 0.00 N ATOM 277 CA GLY A 32 -6.494 5.511 -2.439 1.00 0.00 C ATOM 278 C GLY A 32 -6.114 4.986 -1.115 1.00 0.00 C ATOM 279 O GLY A 32 -6.642 3.956 -0.669 1.00 0.00 O ATOM 0 H GLY A 32 -6.466 7.525 -2.910 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.289 4.904 -2.872 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.647 5.461 -3.123 1.00 0.00 H new ATOM 283 N VAL A 33 -5.321 5.790 -0.396 1.00 0.00 N ATOM 284 CA VAL A 33 -4.917 5.336 0.913 1.00 0.00 C ATOM 285 C VAL A 33 -6.052 5.383 1.869 1.00 0.00 C ATOM 286 O VAL A 33 -6.416 4.390 2.330 1.00 0.00 O ATOM 287 CB VAL A 33 -3.633 5.953 1.539 1.00 0.00 C ATOM 288 CG1 VAL A 33 -2.384 5.369 0.924 1.00 0.00 C ATOM 289 CG2 VAL A 33 -3.620 7.452 1.431 1.00 0.00 C ATOM 0 H VAL A 33 -4.970 6.703 -0.686 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.613 4.307 0.720 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.646 5.696 2.598 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.506 5.822 1.384 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.366 4.292 1.090 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.377 5.571 -0.147 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.706 7.841 1.880 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.660 7.741 0.381 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.484 7.862 1.953 1.00 0.00 H new ATOM 299 N ARG A 34 -6.620 6.552 2.099 1.00 0.00 N ATOM 300 CA ARG A 34 -7.745 6.791 3.036 1.00 0.00 C ATOM 301 C ARG A 34 -8.773 5.676 2.984 1.00 0.00 C ATOM 302 O ARG A 34 -9.052 5.022 3.983 1.00 0.00 O ATOM 303 CB ARG A 34 -8.426 8.073 2.636 1.00 0.00 C ATOM 304 CG ARG A 34 -9.241 8.723 3.721 1.00 0.00 C ATOM 305 CD ARG A 34 -9.698 10.095 3.280 1.00 0.00 C ATOM 306 NE ARG A 34 -10.419 10.786 4.339 1.00 0.00 N ATOM 307 CZ ARG A 34 -10.291 12.087 4.630 1.00 0.00 C ATOM 308 NH1 ARG A 34 -9.501 12.864 3.904 1.00 0.00 N ATOM 309 NH2 ARG A 34 -10.959 12.600 5.642 1.00 0.00 N ATOM 0 H ARG A 34 -6.312 7.404 1.630 1.00 0.00 H new ATOM 0 HA ARG A 34 -7.342 6.839 4.048 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.668 8.780 2.298 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -9.076 7.872 1.785 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -10.105 8.103 3.958 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.648 8.805 4.632 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -8.834 10.688 2.981 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -10.339 10.001 2.404 1.00 0.00 H new ATOM 0 HE ARG A 34 -11.070 10.238 4.901 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -8.984 12.472 3.116 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -9.409 13.854 4.133 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -11.572 12.007 6.202 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -10.864 13.590 5.866 1.00 0.00 H new ATOM 323 N ASP A 35 -9.280 5.425 1.801 1.00 0.00 N ATOM 324 CA ASP A 35 -10.278 4.393 1.602 1.00 0.00 C ATOM 325 C ASP A 35 -9.709 3.072 1.952 1.00 0.00 C ATOM 326 O ASP A 35 -10.357 2.297 2.651 1.00 0.00 O ATOM 327 CB ASP A 35 -10.812 4.368 0.174 1.00 0.00 C ATOM 328 CG ASP A 35 -11.713 5.512 -0.198 1.00 0.00 C ATOM 329 OD1 ASP A 35 -12.317 6.135 0.702 1.00 0.00 O ATOM 330 OD2 ASP A 35 -11.807 5.834 -1.409 1.00 0.00 O ATOM 0 H ASP A 35 -9.017 5.925 0.952 1.00 0.00 H new ATOM 0 HA ASP A 35 -11.119 4.622 2.257 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -9.965 4.357 -0.512 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.356 3.436 0.024 1.00 0.00 H new ATOM 335 N PHE A 36 -8.507 2.803 1.472 1.00 0.00 N ATOM 336 CA PHE A 36 -7.797 1.610 1.852 1.00 0.00 C ATOM 337 C PHE A 36 -7.723 1.531 3.378 1.00 0.00 C ATOM 338 O PHE A 36 -8.321 0.694 3.953 1.00 0.00 O ATOM 339 CB PHE A 36 -6.425 1.600 1.102 1.00 0.00 C ATOM 340 CG PHE A 36 -5.227 0.844 1.647 1.00 0.00 C ATOM 341 CD1 PHE A 36 -4.745 1.059 2.929 1.00 0.00 C ATOM 342 CD2 PHE A 36 -4.546 -0.049 0.835 1.00 0.00 C ATOM 343 CE1 PHE A 36 -3.638 0.395 3.382 1.00 0.00 C ATOM 344 CE2 PHE A 36 -3.424 -0.708 1.283 1.00 0.00 C ATOM 345 CZ PHE A 36 -2.971 -0.488 2.560 1.00 0.00 C ATOM 0 H PHE A 36 -8.007 3.402 0.816 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.310 0.696 1.551 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.615 1.213 0.101 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.118 2.640 0.989 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.250 1.759 3.578 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.902 -0.231 -0.168 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.285 0.563 4.389 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.902 -1.395 0.633 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.094 -1.006 2.920 1.00 0.00 H new ATOM 355 N ILE A 37 -7.153 2.527 3.969 1.00 0.00 N ATOM 356 CA ILE A 37 -6.873 2.628 5.424 1.00 0.00 C ATOM 357 C ILE A 37 -8.183 2.469 6.259 1.00 0.00 C ATOM 358 O ILE A 37 -8.166 1.972 7.384 1.00 0.00 O ATOM 359 CB ILE A 37 -6.317 4.052 5.824 1.00 0.00 C ATOM 360 CG1 ILE A 37 -5.212 4.656 4.927 1.00 0.00 C ATOM 361 CG2 ILE A 37 -5.896 4.128 7.279 1.00 0.00 C ATOM 362 CD1 ILE A 37 -3.995 3.817 4.682 1.00 0.00 C ATOM 0 H ILE A 37 -6.841 3.351 3.454 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.147 1.842 5.630 1.00 0.00 H new ATOM 0 HB ILE A 37 -7.191 4.680 5.652 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.656 4.898 3.961 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.890 5.596 5.375 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.522 5.128 7.498 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -6.753 3.913 7.917 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -5.110 3.397 7.469 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.302 4.360 4.039 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.509 3.594 5.632 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.287 2.886 4.197 1.00 0.00 H new ATOM 374 N GLU A 38 -9.293 2.855 5.670 1.00 0.00 N ATOM 375 CA GLU A 38 -10.545 3.025 6.400 1.00 0.00 C ATOM 376 C GLU A 38 -11.485 1.865 6.167 1.00 0.00 C ATOM 377 O GLU A 38 -11.933 1.184 7.096 1.00 0.00 O ATOM 378 CB GLU A 38 -11.208 4.320 5.906 1.00 0.00 C ATOM 379 CG GLU A 38 -12.490 4.714 6.594 1.00 0.00 C ATOM 380 CD GLU A 38 -12.268 5.127 8.031 1.00 0.00 C ATOM 381 OE1 GLU A 38 -12.138 4.248 8.907 1.00 0.00 O ATOM 382 OE2 GLU A 38 -12.224 6.343 8.313 1.00 0.00 O ATOM 0 H GLU A 38 -9.361 3.061 4.673 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.331 3.070 7.468 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -10.494 5.136 6.019 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.409 4.217 4.840 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.954 5.537 6.050 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -13.188 3.878 6.563 1.00 0.00 H new ATOM 389 N LYS A 39 -11.773 1.649 4.927 1.00 0.00 N ATOM 390 CA LYS A 39 -12.743 0.681 4.515 1.00 0.00 C ATOM 391 C LYS A 39 -12.104 -0.659 4.360 1.00 0.00 C ATOM 392 O LYS A 39 -12.703 -1.694 4.642 1.00 0.00 O ATOM 393 CB LYS A 39 -13.286 1.084 3.145 1.00 0.00 C ATOM 394 CG LYS A 39 -13.903 2.468 3.086 1.00 0.00 C ATOM 395 CD LYS A 39 -14.407 2.779 1.688 1.00 0.00 C ATOM 396 CE LYS A 39 -15.060 4.146 1.617 1.00 0.00 C ATOM 397 NZ LYS A 39 -16.261 4.251 2.487 1.00 0.00 N ATOM 0 H LYS A 39 -11.334 2.149 4.154 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.533 0.636 5.265 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -12.475 1.032 2.419 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -14.035 0.354 2.838 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.727 2.533 3.797 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -13.165 3.212 3.384 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -13.576 2.736 0.984 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -15.124 2.017 1.382 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -14.336 4.906 1.910 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -15.343 4.356 0.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -16.784 5.119 2.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -16.875 3.426 2.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -15.966 4.281 3.484 1.00 0.00 H new ATOM 411 N ARG A 40 -10.873 -0.645 3.965 1.00 0.00 N ATOM 412 CA ARG A 40 -10.274 -1.830 3.501 1.00 0.00 C ATOM 413 C ARG A 40 -9.135 -2.337 4.399 1.00 0.00 C ATOM 414 O ARG A 40 -8.867 -3.474 4.354 1.00 0.00 O ATOM 415 CB ARG A 40 -9.787 -1.541 2.073 1.00 0.00 C ATOM 416 CG ARG A 40 -9.218 -2.697 1.281 1.00 0.00 C ATOM 417 CD ARG A 40 -10.259 -3.719 0.847 1.00 0.00 C ATOM 418 NE ARG A 40 -9.685 -4.657 -0.143 1.00 0.00 N ATOM 419 CZ ARG A 40 -9.998 -5.956 -0.279 1.00 0.00 C ATOM 420 NH1 ARG A 40 -10.993 -6.480 0.415 1.00 0.00 N ATOM 421 NH2 ARG A 40 -9.345 -6.704 -1.162 1.00 0.00 N ATOM 0 H ARG A 40 -10.272 0.179 3.958 1.00 0.00 H new ATOM 0 HA ARG A 40 -11.004 -2.639 3.519 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.623 -1.127 1.510 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.025 -0.764 2.129 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.716 -2.306 0.396 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.460 -3.198 1.882 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.618 -4.272 1.715 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.120 -3.209 0.416 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.985 -4.281 -0.783 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.528 -5.897 1.059 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.226 -7.467 0.307 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.608 -6.291 -1.734 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.580 -7.691 -1.268 1.00 0.00 H new ATOM 435 N TYR A 41 -8.492 -1.472 5.216 1.00 0.00 N ATOM 436 CA TYR A 41 -7.230 -1.852 5.985 1.00 0.00 C ATOM 437 C TYR A 41 -7.161 -3.271 6.533 1.00 0.00 C ATOM 438 O TYR A 41 -6.416 -4.102 6.022 1.00 0.00 O ATOM 439 CB TYR A 41 -6.883 -0.888 7.112 1.00 0.00 C ATOM 440 CG TYR A 41 -5.500 -1.170 7.691 1.00 0.00 C ATOM 441 CD1 TYR A 41 -4.348 -0.766 7.026 1.00 0.00 C ATOM 442 CD2 TYR A 41 -5.352 -1.889 8.872 1.00 0.00 C ATOM 443 CE1 TYR A 41 -3.095 -1.073 7.523 1.00 0.00 C ATOM 444 CE2 TYR A 41 -4.108 -2.189 9.376 1.00 0.00 C ATOM 445 CZ TYR A 41 -2.981 -1.784 8.699 1.00 0.00 C ATOM 446 OH TYR A 41 -1.733 -2.103 9.189 1.00 0.00 O ATOM 0 H TYR A 41 -8.801 -0.513 5.375 1.00 0.00 H new ATOM 0 HA TYR A 41 -6.489 -1.785 5.188 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -6.919 0.136 6.739 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -7.631 -0.967 7.901 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -4.433 -0.204 6.108 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -6.232 -2.219 9.404 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -2.209 -0.757 6.992 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -4.016 -2.741 10.300 1.00 0.00 H new ATOM 0 HH TYR A 41 -1.828 -2.604 10.026 1.00 0.00 H new ATOM 456 N VAL A 42 -7.895 -3.528 7.553 1.00 0.00 N ATOM 457 CA VAL A 42 -7.863 -4.816 8.208 1.00 0.00 C ATOM 458 C VAL A 42 -8.360 -5.931 7.264 1.00 0.00 C ATOM 459 O VAL A 42 -7.860 -7.069 7.283 1.00 0.00 O ATOM 460 CB VAL A 42 -8.606 -4.729 9.563 1.00 0.00 C ATOM 461 CG1 VAL A 42 -9.865 -3.911 9.408 1.00 0.00 C ATOM 462 CG2 VAL A 42 -8.901 -6.104 10.156 1.00 0.00 C ATOM 0 H VAL A 42 -8.542 -2.860 7.971 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.836 -5.096 8.444 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.947 -4.229 10.273 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -10.382 -3.854 10.366 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -9.607 -2.906 9.075 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -10.516 -4.381 8.671 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.423 -5.986 11.106 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -9.526 -6.671 9.466 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -7.965 -6.638 10.320 1.00 0.00 H new ATOM 472 N GLU A 43 -9.247 -5.562 6.373 1.00 0.00 N ATOM 473 CA GLU A 43 -9.736 -6.459 5.360 1.00 0.00 C ATOM 474 C GLU A 43 -8.664 -6.718 4.319 1.00 0.00 C ATOM 475 O GLU A 43 -8.622 -7.778 3.809 1.00 0.00 O ATOM 476 CB GLU A 43 -11.019 -5.905 4.717 1.00 0.00 C ATOM 477 CG GLU A 43 -11.636 -6.801 3.664 1.00 0.00 C ATOM 478 CD GLU A 43 -12.913 -6.248 3.095 1.00 0.00 C ATOM 479 OE1 GLU A 43 -13.994 -6.553 3.637 1.00 0.00 O ATOM 480 OE2 GLU A 43 -12.872 -5.544 2.070 1.00 0.00 O ATOM 0 H GLU A 43 -9.651 -4.626 6.331 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.985 -7.411 5.829 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.755 -5.728 5.501 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.795 -4.938 4.266 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.919 -6.949 2.856 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.833 -7.781 4.099 1.00 0.00 H new ATOM 487 N LEU A 44 -7.759 -5.777 4.050 1.00 0.00 N ATOM 488 CA LEU A 44 -6.753 -6.032 3.052 1.00 0.00 C ATOM 489 C LEU A 44 -5.625 -6.781 3.679 1.00 0.00 C ATOM 490 O LEU A 44 -4.940 -7.567 3.024 1.00 0.00 O ATOM 491 CB LEU A 44 -6.317 -4.739 2.361 1.00 0.00 C ATOM 492 CG LEU A 44 -5.597 -3.686 3.194 1.00 0.00 C ATOM 493 CD1 LEU A 44 -4.103 -3.815 3.082 1.00 0.00 C ATOM 494 CD2 LEU A 44 -6.051 -2.316 2.817 1.00 0.00 C ATOM 0 H LEU A 44 -7.711 -4.863 4.500 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.164 -6.656 2.258 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.666 -5.009 1.530 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.205 -4.275 1.932 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.856 -3.855 4.239 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.625 -3.047 3.690 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.795 -4.800 3.434 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.804 -3.692 2.041 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.525 -1.579 3.423 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.837 -2.139 1.763 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.124 -2.228 2.989 1.00 0.00 H new ATOM 506 N LYS A 45 -5.489 -6.583 4.976 1.00 0.00 N ATOM 507 CA LYS A 45 -4.512 -7.266 5.762 1.00 0.00 C ATOM 508 C LYS A 45 -4.874 -8.742 5.809 1.00 0.00 C ATOM 509 O LYS A 45 -4.010 -9.607 5.723 1.00 0.00 O ATOM 510 CB LYS A 45 -4.444 -6.645 7.165 1.00 0.00 C ATOM 511 CG LYS A 45 -3.246 -7.074 7.992 1.00 0.00 C ATOM 512 CD LYS A 45 -3.199 -6.320 9.313 1.00 0.00 C ATOM 513 CE LYS A 45 -1.926 -6.619 10.098 1.00 0.00 C ATOM 514 NZ LYS A 45 -0.702 -6.202 9.366 1.00 0.00 N ATOM 0 H LYS A 45 -6.067 -5.933 5.508 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.522 -7.167 5.318 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.430 -5.560 7.067 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.354 -6.904 7.707 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.296 -8.146 8.182 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.329 -6.892 7.432 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.263 -5.249 9.121 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.067 -6.589 9.915 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.965 -6.106 11.059 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.874 -7.687 10.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.105 -6.185 10.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.510 -6.876 8.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.843 -5.252 8.966 1.00 0.00 H new ATOM 528 N LYS A 46 -6.161 -9.026 5.898 1.00 0.00 N ATOM 529 CA LYS A 46 -6.616 -10.403 5.874 1.00 0.00 C ATOM 530 C LYS A 46 -6.796 -10.873 4.437 1.00 0.00 C ATOM 531 O LYS A 46 -6.765 -12.077 4.161 1.00 0.00 O ATOM 532 CB LYS A 46 -7.942 -10.537 6.624 1.00 0.00 C ATOM 533 CG LYS A 46 -9.166 -9.974 5.902 1.00 0.00 C ATOM 534 CD LYS A 46 -10.274 -9.701 6.909 1.00 0.00 C ATOM 535 CE LYS A 46 -11.538 -9.192 6.258 1.00 0.00 C ATOM 536 NZ LYS A 46 -12.604 -8.958 7.250 1.00 0.00 N ATOM 0 H LYS A 46 -6.901 -8.330 5.987 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.864 -11.022 6.363 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.117 -11.593 6.831 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.847 -10.035 7.587 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.901 -9.055 5.380 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.513 -10.681 5.148 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.495 -10.617 7.457 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.925 -8.970 7.638 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.326 -8.265 5.726 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.882 -9.913 5.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -13.457 -8.609 6.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.823 -9.849 7.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -12.285 -8.251 7.943 1.00 0.00 H new ATOM 550 N ALA A 47 -6.995 -9.916 3.528 1.00 0.00 N ATOM 551 CA ALA A 47 -7.286 -10.225 2.151 1.00 0.00 C ATOM 552 C ALA A 47 -6.097 -10.850 1.471 1.00 0.00 C ATOM 553 O ALA A 47 -6.212 -11.859 0.767 1.00 0.00 O ATOM 554 CB ALA A 47 -7.688 -9.002 1.341 1.00 0.00 C ATOM 0 H ALA A 47 -6.957 -8.918 3.736 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.125 -10.921 2.184 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -7.895 -9.298 0.313 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.582 -8.555 1.776 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.876 -8.275 1.353 1.00 0.00 H new ATOM 560 N ASN A 48 -4.952 -10.241 1.694 1.00 0.00 N ATOM 561 CA ASN A 48 -3.725 -10.635 1.093 1.00 0.00 C ATOM 562 C ASN A 48 -2.761 -10.948 2.243 1.00 0.00 C ATOM 563 O ASN A 48 -2.041 -10.086 2.719 1.00 0.00 O ATOM 564 CB ASN A 48 -3.130 -9.512 0.170 1.00 0.00 C ATOM 565 CG ASN A 48 -4.042 -8.995 -0.976 1.00 0.00 C ATOM 566 OD1 ASN A 48 -3.833 -7.724 -1.398 1.00 0.00 O flip ATOM 567 ND2 ASN A 48 -4.897 -9.714 -1.493 1.00 0.00 N flip ATOM 0 H ASN A 48 -4.861 -9.438 2.317 1.00 0.00 H new ATOM 0 HA ASN A 48 -3.884 -11.501 0.450 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -2.859 -8.663 0.798 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -2.208 -9.888 -0.273 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -5.034 -10.667 -1.156 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -5.469 -9.357 -2.258 1.00 0.00 H new ATOM 574 N PRO A 49 -2.848 -12.163 2.785 1.00 0.00 N ATOM 575 CA PRO A 49 -2.012 -12.628 3.924 1.00 0.00 C ATOM 576 C PRO A 49 -0.595 -12.892 3.475 1.00 0.00 C ATOM 577 O PRO A 49 0.369 -12.798 4.234 1.00 0.00 O ATOM 578 CB PRO A 49 -2.702 -13.926 4.319 1.00 0.00 C ATOM 579 CG PRO A 49 -3.267 -14.397 3.032 1.00 0.00 C ATOM 580 CD PRO A 49 -3.803 -13.179 2.368 1.00 0.00 C ATOM 0 HA PRO A 49 -1.934 -11.905 4.736 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -2.001 -14.646 4.741 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.478 -13.761 5.066 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.503 -14.875 2.419 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -4.053 -15.134 3.194 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.837 -13.287 1.284 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.816 -12.947 2.697 1.00 0.00 H new ATOM 588 N ASP A 50 -0.505 -13.222 2.233 1.00 0.00 N ATOM 589 CA ASP A 50 0.768 -13.409 1.502 1.00 0.00 C ATOM 590 C ASP A 50 1.447 -12.028 1.238 1.00 0.00 C ATOM 591 O ASP A 50 2.541 -11.919 0.641 1.00 0.00 O ATOM 592 CB ASP A 50 0.461 -14.162 0.184 1.00 0.00 C ATOM 593 CG ASP A 50 1.644 -14.360 -0.742 1.00 0.00 C ATOM 594 OD1 ASP A 50 2.546 -15.171 -0.436 1.00 0.00 O ATOM 595 OD2 ASP A 50 1.685 -13.720 -1.808 1.00 0.00 O ATOM 0 H ASP A 50 -1.326 -13.382 1.649 1.00 0.00 H new ATOM 0 HA ASP A 50 1.469 -13.999 2.093 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.048 -15.140 0.432 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.313 -13.616 -0.355 1.00 0.00 H new ATOM 600 N LEU A 51 0.815 -10.994 1.737 1.00 0.00 N ATOM 601 CA LEU A 51 1.247 -9.644 1.567 1.00 0.00 C ATOM 602 C LEU A 51 1.512 -9.019 2.976 1.00 0.00 C ATOM 603 O LEU A 51 0.587 -8.879 3.770 1.00 0.00 O ATOM 604 CB LEU A 51 0.093 -8.891 0.842 1.00 0.00 C ATOM 605 CG LEU A 51 0.359 -7.526 0.184 1.00 0.00 C ATOM 606 CD1 LEU A 51 -0.907 -6.955 -0.383 1.00 0.00 C ATOM 607 CD2 LEU A 51 0.981 -6.537 1.103 1.00 0.00 C ATOM 0 H LEU A 51 -0.039 -11.080 2.288 1.00 0.00 H new ATOM 0 HA LEU A 51 2.166 -9.578 0.984 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.291 -9.555 0.067 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.708 -8.751 1.567 1.00 0.00 H new ATOM 0 HG LEU A 51 1.075 -7.716 -0.615 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.697 -5.990 -0.844 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.309 -7.635 -1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.637 -6.824 0.416 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.140 -5.598 0.573 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.322 -6.366 1.954 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.938 -6.921 1.457 1.00 0.00 H new ATOM 619 N PRO A 52 2.787 -8.768 3.340 1.00 0.00 N ATOM 620 CA PRO A 52 3.150 -7.970 4.536 1.00 0.00 C ATOM 621 C PRO A 52 2.579 -6.581 4.480 1.00 0.00 C ATOM 622 O PRO A 52 2.866 -5.846 3.553 1.00 0.00 O ATOM 623 CB PRO A 52 4.625 -7.801 4.406 1.00 0.00 C ATOM 624 CG PRO A 52 5.083 -8.962 3.635 1.00 0.00 C ATOM 625 CD PRO A 52 3.966 -9.340 2.710 1.00 0.00 C ATOM 0 HA PRO A 52 2.794 -8.457 5.444 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.870 -6.869 3.896 1.00 0.00 H new ATOM 0 HB3 PRO A 52 5.104 -7.765 5.384 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.985 -8.720 3.073 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.333 -9.791 4.297 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.121 -8.936 1.709 1.00 0.00 H new ATOM 0 HD3 PRO A 52 3.880 -10.422 2.607 1.00 0.00 H new ATOM 633 N ILE A 53 1.901 -6.193 5.510 1.00 0.00 N ATOM 634 CA ILE A 53 1.166 -4.933 5.510 1.00 0.00 C ATOM 635 C ILE A 53 1.480 -4.119 6.756 1.00 0.00 C ATOM 636 O ILE A 53 0.940 -4.371 7.847 1.00 0.00 O ATOM 637 CB ILE A 53 -0.379 -5.180 5.357 1.00 0.00 C ATOM 638 CG1 ILE A 53 -0.619 -5.918 4.038 1.00 0.00 C ATOM 639 CG2 ILE A 53 -1.170 -3.861 5.391 1.00 0.00 C ATOM 640 CD1 ILE A 53 -2.010 -6.411 3.805 1.00 0.00 C ATOM 0 H ILE A 53 1.830 -6.723 6.378 1.00 0.00 H new ATOM 0 HA ILE A 53 1.492 -4.352 4.647 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.731 -5.781 6.195 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.349 -5.252 3.218 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.059 -6.770 3.993 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.234 -4.072 5.282 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.995 -3.356 6.341 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.842 -3.219 4.573 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.060 -6.917 2.841 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.286 -7.109 4.596 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.700 -5.567 3.808 1.00 0.00 H new ATOM 652 N LEU A 54 2.404 -3.195 6.601 1.00 0.00 N ATOM 653 CA LEU A 54 2.805 -2.304 7.669 1.00 0.00 C ATOM 654 C LEU A 54 2.358 -0.888 7.337 1.00 0.00 C ATOM 655 O LEU A 54 2.632 -0.395 6.251 1.00 0.00 O ATOM 656 CB LEU A 54 4.344 -2.318 7.892 1.00 0.00 C ATOM 657 CG LEU A 54 5.009 -3.635 8.373 1.00 0.00 C ATOM 658 CD1 LEU A 54 4.325 -4.187 9.612 1.00 0.00 C ATOM 659 CD2 LEU A 54 5.101 -4.687 7.266 1.00 0.00 C ATOM 0 H LEU A 54 2.902 -3.040 5.724 1.00 0.00 H new ATOM 0 HA LEU A 54 2.331 -2.650 8.588 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.818 -2.031 6.953 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.581 -1.542 8.620 1.00 0.00 H new ATOM 0 HG LEU A 54 6.034 -3.382 8.646 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.818 -5.109 9.919 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.387 -3.456 10.418 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.278 -4.392 9.389 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.574 -5.587 7.658 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.100 -4.929 6.910 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.695 -4.295 6.440 1.00 0.00 H new ATOM 671 N ILE A 55 1.688 -0.247 8.268 1.00 0.00 N ATOM 672 CA ILE A 55 1.173 1.094 8.096 1.00 0.00 C ATOM 673 C ILE A 55 2.277 2.048 8.629 1.00 0.00 C ATOM 674 O ILE A 55 2.695 1.978 9.785 1.00 0.00 O ATOM 675 CB ILE A 55 -0.231 1.213 8.862 1.00 0.00 C ATOM 676 CG1 ILE A 55 -1.100 2.431 8.438 1.00 0.00 C ATOM 677 CG2 ILE A 55 -0.113 1.118 10.384 1.00 0.00 C ATOM 678 CD1 ILE A 55 -0.517 3.787 8.693 1.00 0.00 C ATOM 0 H ILE A 55 1.482 -0.650 9.182 1.00 0.00 H new ATOM 0 HA ILE A 55 0.962 1.357 7.059 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.770 0.327 8.527 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.311 2.345 7.372 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.055 2.367 8.959 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.103 1.207 10.832 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.323 0.157 10.656 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.525 1.923 10.750 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.215 4.553 8.355 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.333 3.909 9.760 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.422 3.887 8.149 1.00 0.00 H new ATOM 690 N ARG A 56 2.807 2.831 7.750 1.00 0.00 N ATOM 691 CA ARG A 56 3.962 3.692 8.017 1.00 0.00 C ATOM 692 C ARG A 56 3.658 5.163 7.776 1.00 0.00 C ATOM 693 O ARG A 56 2.603 5.521 7.272 1.00 0.00 O ATOM 694 CB ARG A 56 5.162 3.255 7.173 1.00 0.00 C ATOM 695 CG ARG A 56 5.642 1.815 7.431 1.00 0.00 C ATOM 696 CD ARG A 56 6.322 1.633 8.801 1.00 0.00 C ATOM 697 NE ARG A 56 5.438 1.913 9.952 1.00 0.00 N ATOM 698 CZ ARG A 56 5.856 2.116 11.212 1.00 0.00 C ATOM 699 NH1 ARG A 56 7.105 1.817 11.563 1.00 0.00 N ATOM 700 NH2 ARG A 56 4.994 2.552 12.125 1.00 0.00 N ATOM 0 H ARG A 56 2.457 2.908 6.795 1.00 0.00 H new ATOM 0 HA ARG A 56 4.204 3.581 9.074 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.902 3.353 6.119 1.00 0.00 H new ATOM 0 HB3 ARG A 56 5.990 3.938 7.362 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.790 1.138 7.364 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.341 1.527 6.646 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.691 0.610 8.879 1.00 0.00 H new ATOM 0 HD3 ARG A 56 7.190 2.290 8.854 1.00 0.00 H new ATOM 0 HE ARG A 56 4.434 1.955 9.776 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.750 1.432 10.873 1.00 0.00 H new ATOM 0 HH12 ARG A 56 7.417 1.973 12.522 1.00 0.00 H new ATOM 0 HH21 ARG A 56 4.023 2.730 11.866 1.00 0.00 H new ATOM 0 HH22 ARG A 56 5.303 2.709 13.084 1.00 0.00 H new ATOM 714 N GLU A 57 4.600 5.992 8.129 1.00 0.00 N ATOM 715 CA GLU A 57 4.453 7.433 8.080 1.00 0.00 C ATOM 716 C GLU A 57 4.855 8.039 6.739 1.00 0.00 C ATOM 717 O GLU A 57 5.391 7.371 5.851 1.00 0.00 O ATOM 718 CB GLU A 57 5.224 8.096 9.200 1.00 0.00 C ATOM 719 CG GLU A 57 4.736 7.723 10.571 1.00 0.00 C ATOM 720 CD GLU A 57 5.531 8.383 11.645 1.00 0.00 C ATOM 721 OE1 GLU A 57 5.282 9.567 11.934 1.00 0.00 O ATOM 722 OE2 GLU A 57 6.414 7.725 12.231 1.00 0.00 O ATOM 0 H GLU A 57 5.513 5.686 8.467 1.00 0.00 H new ATOM 0 HA GLU A 57 3.388 7.626 8.208 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.277 7.828 9.113 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.160 9.178 9.083 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.688 8.004 10.671 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.789 6.641 10.693 1.00 0.00 H new ATOM 729 N CYS A 58 4.524 9.287 6.601 1.00 0.00 N ATOM 730 CA CYS A 58 4.804 10.097 5.445 1.00 0.00 C ATOM 731 C CYS A 58 6.294 10.346 5.227 1.00 0.00 C ATOM 732 O CYS A 58 6.882 11.259 5.812 1.00 0.00 O ATOM 733 CB CYS A 58 4.058 11.407 5.597 1.00 0.00 C ATOM 734 SG CYS A 58 3.985 11.954 7.339 1.00 0.00 S ATOM 0 H CYS A 58 4.025 9.799 7.328 1.00 0.00 H new ATOM 0 HA CYS A 58 4.468 9.556 4.560 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.546 12.174 4.996 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.045 11.295 5.209 1.00 0.00 H new ATOM 739 N SER A 59 6.906 9.485 4.448 1.00 0.00 N ATOM 740 CA SER A 59 8.276 9.655 4.041 1.00 0.00 C ATOM 741 C SER A 59 8.394 10.855 3.095 1.00 0.00 C ATOM 742 O SER A 59 9.349 11.622 3.166 1.00 0.00 O ATOM 743 CB SER A 59 8.705 8.388 3.330 1.00 0.00 C ATOM 744 OG SER A 59 8.271 7.263 4.078 1.00 0.00 O ATOM 0 H SER A 59 6.463 8.644 4.078 1.00 0.00 H new ATOM 0 HA SER A 59 8.913 9.840 4.906 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.280 8.358 2.327 1.00 0.00 H new ATOM 0 HB3 SER A 59 9.789 8.369 3.218 1.00 0.00 H new ATOM 0 HG SER A 59 8.893 6.518 3.939 1.00 0.00 H new ATOM 750 N ASP A 60 7.384 11.024 2.254 1.00 0.00 N ATOM 751 CA ASP A 60 7.332 12.061 1.280 1.00 0.00 C ATOM 752 C ASP A 60 5.863 12.380 1.085 1.00 0.00 C ATOM 753 O ASP A 60 5.047 11.940 1.921 1.00 0.00 O ATOM 754 CB ASP A 60 7.997 11.589 -0.035 1.00 0.00 C ATOM 755 CG ASP A 60 7.327 10.382 -0.643 1.00 0.00 C ATOM 756 OD1 ASP A 60 7.370 9.294 -0.031 1.00 0.00 O ATOM 757 OD2 ASP A 60 6.742 10.503 -1.737 1.00 0.00 O ATOM 0 H ASP A 60 6.564 10.417 2.244 1.00 0.00 H new ATOM 0 HA ASP A 60 7.876 12.951 1.598 1.00 0.00 H new ATOM 0 HB2 ASP A 60 7.981 12.406 -0.756 1.00 0.00 H new ATOM 0 HB3 ASP A 60 9.044 11.356 0.159 1.00 0.00 H new ATOM 762 N VAL A 61 5.535 13.018 -0.037 1.00 0.00 N ATOM 763 CA VAL A 61 4.239 13.604 -0.394 1.00 0.00 C ATOM 764 C VAL A 61 3.050 13.130 0.397 1.00 0.00 C ATOM 765 O VAL A 61 2.622 13.795 1.339 1.00 0.00 O ATOM 766 CB VAL A 61 3.959 13.503 -1.943 1.00 0.00 C ATOM 767 CG1 VAL A 61 3.999 12.080 -2.506 1.00 0.00 C ATOM 768 CG2 VAL A 61 2.694 14.247 -2.367 1.00 0.00 C ATOM 0 H VAL A 61 6.221 13.150 -0.780 1.00 0.00 H new ATOM 0 HA VAL A 61 4.352 14.650 -0.108 1.00 0.00 H new ATOM 0 HB VAL A 61 4.805 14.016 -2.399 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.796 12.106 -3.577 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.985 11.648 -2.335 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.245 11.470 -2.008 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.553 14.142 -3.443 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.833 13.828 -1.846 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.791 15.303 -2.115 1.00 0.00 H new ATOM 778 N GLN A 62 2.611 11.963 0.086 1.00 0.00 N ATOM 779 CA GLN A 62 1.305 11.492 0.604 1.00 0.00 C ATOM 780 C GLN A 62 1.031 9.957 0.661 1.00 0.00 C ATOM 781 O GLN A 62 1.287 9.359 1.680 1.00 0.00 O ATOM 782 CB GLN A 62 0.110 12.261 -0.002 1.00 0.00 C ATOM 783 CG GLN A 62 -0.510 13.310 0.863 1.00 0.00 C ATOM 784 CD GLN A 62 -0.793 12.798 2.227 1.00 0.00 C ATOM 785 OE1 GLN A 62 0.003 12.987 3.150 1.00 0.00 O ATOM 786 NE2 GLN A 62 -1.855 12.075 2.356 1.00 0.00 N ATOM 0 H GLN A 62 3.102 11.300 -0.513 1.00 0.00 H new ATOM 0 HA GLN A 62 1.406 11.744 1.660 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.441 12.732 -0.928 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.661 11.539 -0.270 1.00 0.00 H new ATOM 0 HG2 GLN A 62 0.157 14.170 0.928 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -1.436 13.659 0.406 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.484 11.947 1.564 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -2.065 11.632 3.250 1.00 0.00 H new ATOM 795 N PRO A 63 0.537 9.285 -0.398 1.00 0.00 N ATOM 796 CA PRO A 63 0.091 7.913 -0.300 1.00 0.00 C ATOM 797 C PRO A 63 1.029 6.954 -1.005 1.00 0.00 C ATOM 798 O PRO A 63 0.769 6.557 -2.112 1.00 0.00 O ATOM 799 CB PRO A 63 -1.221 8.007 -1.088 1.00 0.00 C ATOM 800 CG PRO A 63 -1.003 9.133 -2.084 1.00 0.00 C ATOM 801 CD PRO A 63 0.338 9.747 -1.765 1.00 0.00 C ATOM 0 HA PRO A 63 0.021 7.544 0.723 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.444 7.069 -1.596 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -2.063 8.221 -0.429 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -1.021 8.754 -3.106 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -1.796 9.876 -2.006 1.00 0.00 H new ATOM 0 HD2 PRO A 63 1.122 9.397 -2.437 1.00 0.00 H new ATOM 0 HD3 PRO A 63 0.321 10.835 -1.834 1.00 0.00 H new ATOM 809 N LYS A 64 2.084 6.575 -0.382 1.00 0.00 N ATOM 810 CA LYS A 64 3.096 5.815 -1.101 1.00 0.00 C ATOM 811 C LYS A 64 3.034 4.371 -0.730 1.00 0.00 C ATOM 812 O LYS A 64 2.849 4.018 0.442 1.00 0.00 O ATOM 813 CB LYS A 64 4.535 6.312 -0.835 1.00 0.00 C ATOM 814 CG LYS A 64 4.878 7.763 -1.198 1.00 0.00 C ATOM 815 CD LYS A 64 4.160 8.785 -0.321 1.00 0.00 C ATOM 816 CE LYS A 64 4.543 8.604 1.149 1.00 0.00 C ATOM 817 NZ LYS A 64 3.853 9.535 2.077 1.00 0.00 N ATOM 0 H LYS A 64 2.287 6.762 0.600 1.00 0.00 H new ATOM 0 HA LYS A 64 2.871 5.958 -2.158 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.744 6.176 0.226 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.218 5.661 -1.381 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.954 7.909 -1.109 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.618 7.942 -2.241 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.415 9.793 -0.646 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.082 8.676 -0.437 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.320 7.580 1.447 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.620 8.738 1.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.262 9.443 3.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.973 10.512 1.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.840 9.303 2.112 1.00 0.00 H new ATOM 831 N LEU A 65 3.243 3.558 -1.705 1.00 0.00 N ATOM 832 CA LEU A 65 3.228 2.155 -1.541 1.00 0.00 C ATOM 833 C LEU A 65 4.626 1.691 -1.464 1.00 0.00 C ATOM 834 O LEU A 65 5.288 1.643 -2.487 1.00 0.00 O ATOM 835 CB LEU A 65 2.620 1.537 -2.766 1.00 0.00 C ATOM 836 CG LEU A 65 2.177 0.076 -2.633 1.00 0.00 C ATOM 837 CD1 LEU A 65 1.232 -0.093 -1.452 1.00 0.00 C ATOM 838 CD2 LEU A 65 1.516 -0.392 -3.919 1.00 0.00 C ATOM 0 H LEU A 65 3.433 3.862 -2.660 1.00 0.00 H new ATOM 0 HA LEU A 65 2.666 1.884 -0.647 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.755 2.133 -3.058 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.343 1.604 -3.579 1.00 0.00 H new ATOM 0 HG LEU A 65 3.059 -0.539 -2.452 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.929 -1.137 -1.375 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.739 0.206 -0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.350 0.531 -1.599 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.206 -1.431 -3.811 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.643 0.227 -4.126 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.224 -0.308 -4.743 1.00 0.00 H new ATOM 850 N TRP A 66 5.126 1.432 -0.300 1.00 0.00 N ATOM 851 CA TRP A 66 6.440 0.904 -0.256 1.00 0.00 C ATOM 852 C TRP A 66 6.362 -0.588 -0.420 1.00 0.00 C ATOM 853 O TRP A 66 5.755 -1.269 0.392 1.00 0.00 O ATOM 854 CB TRP A 66 7.226 1.259 1.028 1.00 0.00 C ATOM 855 CG TRP A 66 8.489 0.444 1.185 1.00 0.00 C ATOM 856 CD1 TRP A 66 8.728 -0.580 2.062 1.00 0.00 C ATOM 857 CD2 TRP A 66 9.638 0.554 0.392 1.00 0.00 C ATOM 858 NE1 TRP A 66 9.981 -1.095 1.846 1.00 0.00 N ATOM 859 CE2 TRP A 66 10.557 -0.401 0.817 1.00 0.00 C ATOM 860 CE3 TRP A 66 9.974 1.378 -0.633 1.00 0.00 C ATOM 861 CZ2 TRP A 66 11.793 -0.528 0.212 1.00 0.00 C ATOM 862 CZ3 TRP A 66 11.172 1.253 -1.226 1.00 0.00 C ATOM 863 CH2 TRP A 66 12.066 0.328 -0.818 1.00 0.00 C ATOM 0 H TRP A 66 4.663 1.572 0.598 1.00 0.00 H new ATOM 0 HA TRP A 66 6.997 1.366 -1.071 1.00 0.00 H new ATOM 0 HB2 TRP A 66 7.482 2.318 1.011 1.00 0.00 H new ATOM 0 HB3 TRP A 66 6.586 1.100 1.896 1.00 0.00 H new ATOM 0 HD1 TRP A 66 8.034 -0.930 2.812 1.00 0.00 H new ATOM 0 HE1 TRP A 66 10.409 -1.863 2.363 1.00 0.00 H new ATOM 0 HE3 TRP A 66 9.279 2.133 -0.971 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 12.509 -1.268 0.537 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 11.426 1.907 -2.047 1.00 0.00 H new ATOM 0 HH2 TRP A 66 13.021 0.262 -1.318 1.00 0.00 H new ATOM 874 N ALA A 67 6.954 -1.060 -1.440 1.00 0.00 N ATOM 875 CA ALA A 67 7.013 -2.440 -1.713 1.00 0.00 C ATOM 876 C ALA A 67 8.446 -2.862 -1.809 1.00 0.00 C ATOM 877 O ALA A 67 9.270 -2.152 -2.409 1.00 0.00 O ATOM 878 CB ALA A 67 6.311 -2.743 -3.019 1.00 0.00 C ATOM 0 H ALA A 67 7.428 -0.481 -2.133 1.00 0.00 H new ATOM 0 HA ALA A 67 6.518 -2.986 -0.910 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.363 -3.813 -3.220 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.267 -2.437 -2.951 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.797 -2.198 -3.828 1.00 0.00 H new ATOM 884 N ARG A 68 8.760 -3.966 -1.199 1.00 0.00 N ATOM 885 CA ARG A 68 10.008 -4.574 -1.346 1.00 0.00 C ATOM 886 C ARG A 68 9.673 -6.035 -1.542 1.00 0.00 C ATOM 887 O ARG A 68 9.360 -6.783 -0.617 1.00 0.00 O ATOM 888 CB ARG A 68 10.911 -4.365 -0.144 1.00 0.00 C ATOM 889 CG ARG A 68 12.376 -4.613 -0.450 1.00 0.00 C ATOM 890 CD ARG A 68 13.058 -3.358 -1.011 1.00 0.00 C ATOM 891 NE ARG A 68 14.441 -3.605 -1.456 1.00 0.00 N ATOM 892 CZ ARG A 68 15.328 -2.643 -1.807 1.00 0.00 C ATOM 893 NH1 ARG A 68 15.005 -1.349 -1.674 1.00 0.00 N ATOM 894 NH2 ARG A 68 16.535 -2.976 -2.250 1.00 0.00 N ATOM 0 H ARG A 68 8.126 -4.465 -0.575 1.00 0.00 H new ATOM 0 HA ARG A 68 10.571 -4.149 -2.176 1.00 0.00 H new ATOM 0 HB2 ARG A 68 10.790 -3.345 0.221 1.00 0.00 H new ATOM 0 HB3 ARG A 68 10.596 -5.031 0.660 1.00 0.00 H new ATOM 0 HG2 ARG A 68 12.889 -4.931 0.458 1.00 0.00 H new ATOM 0 HG3 ARG A 68 12.465 -5.428 -1.169 1.00 0.00 H new ATOM 0 HD2 ARG A 68 12.475 -2.978 -1.850 1.00 0.00 H new ATOM 0 HD3 ARG A 68 13.061 -2.581 -0.247 1.00 0.00 H new ATOM 0 HE ARG A 68 14.754 -4.574 -1.503 1.00 0.00 H new ATOM 0 HH11 ARG A 68 14.090 -1.087 -1.308 1.00 0.00 H new ATOM 0 HH12 ARG A 68 15.674 -0.626 -1.939 1.00 0.00 H new ATOM 0 HH21 ARG A 68 16.797 -3.959 -2.327 1.00 0.00 H new ATOM 0 HH22 ARG A 68 17.200 -2.249 -2.513 1.00 0.00 H new ATOM 908 N TYR A 69 9.606 -6.365 -2.749 1.00 0.00 N ATOM 909 CA TYR A 69 9.187 -7.679 -3.211 1.00 0.00 C ATOM 910 C TYR A 69 10.309 -8.694 -3.014 1.00 0.00 C ATOM 911 O TYR A 69 11.472 -8.324 -2.948 1.00 0.00 O ATOM 912 CB TYR A 69 8.882 -7.638 -4.717 1.00 0.00 C ATOM 913 CG TYR A 69 8.016 -6.493 -5.207 1.00 0.00 C ATOM 914 CD1 TYR A 69 6.651 -6.531 -5.099 1.00 0.00 C ATOM 915 CD2 TYR A 69 8.588 -5.387 -5.817 1.00 0.00 C ATOM 916 CE1 TYR A 69 5.870 -5.497 -5.586 1.00 0.00 C ATOM 917 CE2 TYR A 69 7.823 -4.348 -6.301 1.00 0.00 C ATOM 918 CZ TYR A 69 6.462 -4.408 -6.185 1.00 0.00 C ATOM 919 OH TYR A 69 5.686 -3.383 -6.676 1.00 0.00 O ATOM 0 H TYR A 69 9.844 -5.727 -3.509 1.00 0.00 H new ATOM 0 HA TYR A 69 8.303 -7.963 -2.640 1.00 0.00 H new ATOM 0 HB2 TYR A 69 9.829 -7.602 -5.255 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.395 -8.574 -4.991 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.178 -7.379 -4.627 1.00 0.00 H new ATOM 0 HD2 TYR A 69 9.662 -5.338 -5.916 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.795 -5.545 -5.496 1.00 0.00 H new ATOM 0 HE2 TYR A 69 8.294 -3.495 -6.767 1.00 0.00 H new ATOM 0 HH TYR A 69 6.263 -2.693 -7.065 1.00 0.00 H new ATOM 929 N ALA A 70 9.958 -9.982 -3.004 1.00 0.00 N ATOM 930 CA ALA A 70 10.966 -11.065 -2.910 1.00 0.00 C ATOM 931 C ALA A 70 11.432 -11.440 -4.283 1.00 0.00 C ATOM 932 O ALA A 70 12.231 -12.347 -4.468 1.00 0.00 O ATOM 933 CB ALA A 70 10.451 -12.264 -2.142 1.00 0.00 C ATOM 0 H ALA A 70 8.993 -10.309 -3.059 1.00 0.00 H new ATOM 0 HA ALA A 70 11.818 -10.691 -2.342 1.00 0.00 H new ATOM 0 HB1 ALA A 70 11.226 -13.030 -2.101 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.186 -11.961 -1.129 1.00 0.00 H new ATOM 0 HB3 ALA A 70 9.570 -12.666 -2.643 1.00 0.00 H new ATOM 939 N PHE A 71 10.941 -10.700 -5.243 1.00 0.00 N ATOM 940 CA PHE A 71 11.484 -10.724 -6.570 1.00 0.00 C ATOM 941 C PHE A 71 12.741 -9.851 -6.515 1.00 0.00 C ATOM 942 O PHE A 71 13.511 -9.756 -7.459 1.00 0.00 O ATOM 943 CB PHE A 71 10.486 -10.133 -7.566 1.00 0.00 C ATOM 944 CG PHE A 71 9.127 -10.773 -7.534 1.00 0.00 C ATOM 945 CD1 PHE A 71 8.971 -12.119 -7.809 1.00 0.00 C ATOM 946 CD2 PHE A 71 8.005 -10.026 -7.215 1.00 0.00 C ATOM 947 CE1 PHE A 71 7.726 -12.709 -7.768 1.00 0.00 C ATOM 948 CE2 PHE A 71 6.759 -10.609 -7.171 1.00 0.00 C ATOM 949 CZ PHE A 71 6.620 -11.953 -7.449 1.00 0.00 C ATOM 0 H PHE A 71 10.153 -10.064 -5.123 1.00 0.00 H new ATOM 0 HA PHE A 71 11.704 -11.741 -6.894 1.00 0.00 H new ATOM 0 HB2 PHE A 71 10.378 -9.067 -7.365 1.00 0.00 H new ATOM 0 HB3 PHE A 71 10.895 -10.227 -8.572 1.00 0.00 H new ATOM 0 HD1 PHE A 71 9.836 -12.716 -8.059 1.00 0.00 H new ATOM 0 HD2 PHE A 71 8.109 -8.973 -6.998 1.00 0.00 H new ATOM 0 HE1 PHE A 71 7.618 -13.761 -7.985 1.00 0.00 H new ATOM 0 HE2 PHE A 71 5.892 -10.016 -6.919 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.643 -12.413 -7.416 1.00 0.00 H new ATOM 959 N GLY A 72 12.894 -9.203 -5.353 1.00 0.00 N ATOM 960 CA GLY A 72 14.002 -8.371 -5.049 1.00 0.00 C ATOM 961 C GLY A 72 13.946 -7.083 -5.806 1.00 0.00 C ATOM 962 O GLY A 72 14.917 -6.630 -6.398 1.00 0.00 O ATOM 0 H GLY A 72 12.215 -9.263 -4.594 1.00 0.00 H new ATOM 0 HA2 GLY A 72 14.020 -8.164 -3.979 1.00 0.00 H new ATOM 0 HA3 GLY A 72 14.928 -8.895 -5.288 1.00 0.00 H new ATOM 966 N GLN A 73 12.784 -6.502 -5.765 1.00 0.00 N ATOM 967 CA GLN A 73 12.476 -5.263 -6.423 1.00 0.00 C ATOM 968 C GLN A 73 11.812 -4.366 -5.412 1.00 0.00 C ATOM 969 O GLN A 73 11.319 -4.864 -4.386 1.00 0.00 O ATOM 970 CB GLN A 73 11.546 -5.516 -7.616 1.00 0.00 C ATOM 971 CG GLN A 73 12.216 -6.195 -8.790 1.00 0.00 C ATOM 972 CD GLN A 73 11.232 -6.525 -9.864 1.00 0.00 C ATOM 973 OE1 GLN A 73 10.749 -7.738 -9.863 1.00 0.00 O flip ATOM 974 NE2 GLN A 73 10.945 -5.702 -10.725 1.00 0.00 N flip ATOM 0 H GLN A 73 11.993 -6.892 -5.253 1.00 0.00 H new ATOM 0 HA GLN A 73 13.382 -4.793 -6.806 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.708 -6.129 -7.286 1.00 0.00 H new ATOM 0 HB3 GLN A 73 11.133 -4.564 -7.949 1.00 0.00 H new ATOM 0 HG2 GLN A 73 12.992 -5.545 -9.193 1.00 0.00 H new ATOM 0 HG3 GLN A 73 12.708 -7.107 -8.452 1.00 0.00 H new ATOM 0 HE21 GLN A 73 11.345 -4.765 -10.688 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.306 -5.954 -11.479 1.00 0.00 H new ATOM 983 N GLU A 74 11.778 -3.091 -5.661 1.00 0.00 N ATOM 984 CA GLU A 74 11.194 -2.180 -4.721 1.00 0.00 C ATOM 985 C GLU A 74 10.418 -1.095 -5.430 1.00 0.00 C ATOM 986 O GLU A 74 10.461 -0.990 -6.662 1.00 0.00 O ATOM 987 CB GLU A 74 12.273 -1.531 -3.829 1.00 0.00 C ATOM 988 CG GLU A 74 13.145 -0.461 -4.501 1.00 0.00 C ATOM 989 CD GLU A 74 13.968 -0.974 -5.660 1.00 0.00 C ATOM 990 OE1 GLU A 74 13.478 -0.973 -6.796 1.00 0.00 O ATOM 991 OE2 GLU A 74 15.116 -1.398 -5.452 1.00 0.00 O ATOM 0 H GLU A 74 12.148 -2.657 -6.507 1.00 0.00 H new ATOM 0 HA GLU A 74 10.514 -2.757 -4.094 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.781 -1.082 -2.966 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.925 -2.318 -3.450 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.503 0.346 -4.854 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.815 -0.033 -3.755 1.00 0.00 H new ATOM 998 N THR A 75 9.681 -0.346 -4.656 1.00 0.00 N ATOM 999 CA THR A 75 9.001 0.833 -5.104 1.00 0.00 C ATOM 1000 C THR A 75 8.387 1.485 -3.872 1.00 0.00 C ATOM 1001 O THR A 75 8.140 0.805 -2.902 1.00 0.00 O ATOM 1002 CB THR A 75 7.903 0.525 -6.188 1.00 0.00 C ATOM 1003 OG1 THR A 75 7.419 1.747 -6.759 1.00 0.00 O ATOM 1004 CG2 THR A 75 6.724 -0.255 -5.603 1.00 0.00 C ATOM 0 H THR A 75 9.534 -0.548 -3.667 1.00 0.00 H new ATOM 0 HA THR A 75 9.710 1.501 -5.593 1.00 0.00 H new ATOM 0 HB THR A 75 8.372 -0.090 -6.956 1.00 0.00 H new ATOM 0 HG1 THR A 75 6.737 1.545 -7.434 1.00 0.00 H new ATOM 0 HG21 THR A 75 5.990 -0.446 -6.386 1.00 0.00 H new ATOM 0 HG22 THR A 75 7.079 -1.203 -5.200 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.262 0.328 -4.806 1.00 0.00 H new ATOM 1012 N ASN A 76 8.222 2.771 -3.882 1.00 0.00 N ATOM 1013 CA ASN A 76 7.554 3.489 -2.804 1.00 0.00 C ATOM 1014 C ASN A 76 6.713 4.555 -3.431 1.00 0.00 C ATOM 1015 O ASN A 76 7.169 5.675 -3.682 1.00 0.00 O ATOM 1016 CB ASN A 76 8.527 4.023 -1.707 1.00 0.00 C ATOM 1017 CG ASN A 76 9.769 4.759 -2.217 1.00 0.00 C ATOM 1018 OD1 ASN A 76 10.907 4.049 -2.353 1.00 0.00 O flip ATOM 1019 ND2 ASN A 76 9.730 5.969 -2.432 1.00 0.00 N flip ATOM 0 H ASN A 76 8.545 3.372 -4.640 1.00 0.00 H new ATOM 0 HA ASN A 76 6.918 2.801 -2.246 1.00 0.00 H new ATOM 0 HB2 ASN A 76 7.972 4.696 -1.053 1.00 0.00 H new ATOM 0 HB3 ASN A 76 8.852 3.181 -1.096 1.00 0.00 H new ATOM 0 HD21 ASN A 76 8.854 6.479 -2.320 1.00 0.00 H new ATOM 0 HD22 ASN A 76 10.574 6.463 -2.722 1.00 0.00 H new ATOM 1026 N VAL A 77 5.467 4.209 -3.728 1.00 0.00 N ATOM 1027 CA VAL A 77 4.753 5.072 -4.673 1.00 0.00 C ATOM 1028 C VAL A 77 3.361 5.571 -4.369 1.00 0.00 C ATOM 1029 O VAL A 77 2.472 4.818 -4.009 1.00 0.00 O ATOM 1030 CB VAL A 77 4.869 4.518 -6.076 1.00 0.00 C ATOM 1031 CG1 VAL A 77 4.436 3.055 -6.149 1.00 0.00 C ATOM 1032 CG2 VAL A 77 4.189 5.358 -7.157 1.00 0.00 C ATOM 0 H VAL A 77 4.957 3.404 -3.365 1.00 0.00 H new ATOM 0 HA VAL A 77 5.292 6.012 -4.551 1.00 0.00 H new ATOM 0 HB VAL A 77 5.933 4.574 -6.304 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.535 2.697 -7.174 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.067 2.456 -5.493 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.397 2.967 -5.833 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.326 4.882 -8.128 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.124 5.438 -6.939 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.632 6.354 -7.176 1.00 0.00 H new ATOM 1042 N PRO A 78 3.227 6.909 -4.502 1.00 0.00 N ATOM 1043 CA PRO A 78 1.983 7.651 -4.433 1.00 0.00 C ATOM 1044 C PRO A 78 0.939 7.060 -5.345 1.00 0.00 C ATOM 1045 O PRO A 78 0.965 7.212 -6.576 1.00 0.00 O ATOM 1046 CB PRO A 78 2.372 9.062 -4.852 1.00 0.00 C ATOM 1047 CG PRO A 78 3.799 9.152 -4.470 1.00 0.00 C ATOM 1048 CD PRO A 78 4.359 7.786 -4.711 1.00 0.00 C ATOM 0 HA PRO A 78 1.533 7.626 -3.440 1.00 0.00 H new ATOM 0 HB2 PRO A 78 2.232 9.216 -5.922 1.00 0.00 H new ATOM 0 HB3 PRO A 78 1.771 9.813 -4.340 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.319 9.901 -5.067 1.00 0.00 H new ATOM 0 HG3 PRO A 78 3.909 9.444 -3.425 1.00 0.00 H new ATOM 0 HD2 PRO A 78 4.759 7.690 -5.720 1.00 0.00 H new ATOM 0 HD3 PRO A 78 5.173 7.560 -4.022 1.00 0.00 H new ATOM 1056 N LEU A 79 0.075 6.355 -4.713 1.00 0.00 N ATOM 1057 CA LEU A 79 -0.990 5.608 -5.292 1.00 0.00 C ATOM 1058 C LEU A 79 -2.310 6.401 -5.173 1.00 0.00 C ATOM 1059 O LEU A 79 -3.417 5.855 -5.244 1.00 0.00 O ATOM 1060 CB LEU A 79 -0.987 4.242 -4.553 1.00 0.00 C ATOM 1061 CG LEU A 79 -1.048 4.239 -2.993 1.00 0.00 C ATOM 1062 CD1 LEU A 79 -2.358 4.777 -2.450 1.00 0.00 C ATOM 1063 CD2 LEU A 79 -0.816 2.839 -2.465 1.00 0.00 C ATOM 0 H LEU A 79 0.092 6.276 -3.696 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.873 5.431 -6.361 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.836 3.665 -4.919 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.086 3.706 -4.851 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.258 4.907 -2.649 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.339 4.749 -1.361 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.496 5.805 -2.784 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.182 4.164 -2.814 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.861 2.849 -1.376 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.585 2.171 -2.854 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.165 2.487 -2.785 1.00 0.00 H new ATOM 1075 N ASN A 80 -2.131 7.711 -5.057 1.00 0.00 N ATOM 1076 CA ASN A 80 -3.189 8.720 -4.831 1.00 0.00 C ATOM 1077 C ASN A 80 -4.390 8.582 -5.750 1.00 0.00 C ATOM 1078 O ASN A 80 -5.532 8.718 -5.310 1.00 0.00 O ATOM 1079 CB ASN A 80 -2.599 10.142 -4.961 1.00 0.00 C ATOM 1080 CG ASN A 80 -3.588 11.249 -4.618 1.00 0.00 C ATOM 1081 OD1 ASN A 80 -3.545 11.723 -3.398 1.00 0.00 O flip ATOM 1082 ND2 ASN A 80 -4.345 11.715 -5.468 1.00 0.00 N flip ATOM 0 H ASN A 80 -1.204 8.131 -5.119 1.00 0.00 H new ATOM 0 HA ASN A 80 -3.556 8.543 -3.820 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -1.731 10.227 -4.307 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -2.245 10.287 -5.982 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -4.356 11.325 -6.410 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -4.962 12.492 -5.231 1.00 0.00 H new ATOM 1089 N ASN A 81 -4.119 8.270 -6.981 1.00 0.00 N ATOM 1090 CA ASN A 81 -5.141 8.238 -8.047 1.00 0.00 C ATOM 1091 C ASN A 81 -6.175 7.119 -7.884 1.00 0.00 C ATOM 1092 O ASN A 81 -7.277 7.207 -8.446 1.00 0.00 O ATOM 1093 CB ASN A 81 -4.519 8.165 -9.462 1.00 0.00 C ATOM 1094 CG ASN A 81 -3.970 6.789 -9.854 1.00 0.00 C ATOM 1095 OD1 ASN A 81 -4.687 5.955 -10.405 1.00 0.00 O ATOM 1096 ND2 ASN A 81 -2.711 6.555 -9.602 1.00 0.00 N ATOM 0 H ASN A 81 -3.183 8.024 -7.302 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.667 9.187 -7.939 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.274 8.460 -10.191 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -3.711 8.894 -9.526 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.296 5.661 -9.863 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.142 7.267 -9.144 1.00 0.00 H new ATOM 1103 N PHE A 82 -5.852 6.094 -7.126 1.00 0.00 N ATOM 1104 CA PHE A 82 -6.752 4.973 -6.963 1.00 0.00 C ATOM 1105 C PHE A 82 -7.701 5.205 -5.789 1.00 0.00 C ATOM 1106 O PHE A 82 -7.893 6.332 -5.328 1.00 0.00 O ATOM 1107 CB PHE A 82 -5.964 3.679 -6.723 1.00 0.00 C ATOM 1108 CG PHE A 82 -5.043 3.249 -7.824 1.00 0.00 C ATOM 1109 CD1 PHE A 82 -5.531 2.574 -8.928 1.00 0.00 C ATOM 1110 CD2 PHE A 82 -3.682 3.485 -7.738 1.00 0.00 C ATOM 1111 CE1 PHE A 82 -4.683 2.144 -9.925 1.00 0.00 C ATOM 1112 CE2 PHE A 82 -2.828 3.063 -8.733 1.00 0.00 C ATOM 1113 CZ PHE A 82 -3.329 2.390 -9.829 1.00 0.00 C ATOM 0 H PHE A 82 -4.974 6.013 -6.613 1.00 0.00 H new ATOM 0 HA PHE A 82 -7.333 4.879 -7.881 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -5.376 3.800 -5.813 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -6.676 2.874 -6.538 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.591 2.381 -9.010 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.284 4.007 -6.880 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -5.078 1.615 -10.780 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -1.769 3.258 -8.656 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.662 2.057 -10.610 1.00 0.00 H new ATOM 1123 N SER A 83 -8.279 4.132 -5.332 1.00 0.00 N ATOM 1124 CA SER A 83 -9.181 4.099 -4.221 1.00 0.00 C ATOM 1125 C SER A 83 -8.928 2.764 -3.505 1.00 0.00 C ATOM 1126 O SER A 83 -8.070 2.004 -3.964 1.00 0.00 O ATOM 1127 CB SER A 83 -10.633 4.230 -4.721 1.00 0.00 C ATOM 1128 OG SER A 83 -11.571 4.290 -3.648 1.00 0.00 O ATOM 0 H SER A 83 -8.125 3.212 -5.745 1.00 0.00 H new ATOM 0 HA SER A 83 -9.021 4.927 -3.531 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.725 5.128 -5.332 1.00 0.00 H new ATOM 0 HB3 SER A 83 -10.872 3.382 -5.363 1.00 0.00 H new ATOM 0 HG SER A 83 -11.305 4.994 -3.020 1.00 0.00 H new ATOM 1134 N ALA A 84 -9.690 2.472 -2.454 1.00 0.00 N ATOM 1135 CA ALA A 84 -9.480 1.312 -1.561 1.00 0.00 C ATOM 1136 C ALA A 84 -9.276 -0.026 -2.310 1.00 0.00 C ATOM 1137 O ALA A 84 -8.217 -0.674 -2.196 1.00 0.00 O ATOM 1138 CB ALA A 84 -10.665 1.179 -0.632 1.00 0.00 C ATOM 0 H ALA A 84 -10.492 3.042 -2.185 1.00 0.00 H new ATOM 0 HA ALA A 84 -8.559 1.508 -1.012 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -10.515 0.325 0.029 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.764 2.086 -0.036 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.572 1.030 -1.218 1.00 0.00 H new ATOM 1144 N ASP A 85 -10.279 -0.426 -3.077 1.00 0.00 N ATOM 1145 CA ASP A 85 -10.234 -1.702 -3.817 1.00 0.00 C ATOM 1146 C ASP A 85 -9.126 -1.698 -4.821 1.00 0.00 C ATOM 1147 O ASP A 85 -8.314 -2.623 -4.864 1.00 0.00 O ATOM 1148 CB ASP A 85 -11.548 -2.004 -4.540 1.00 0.00 C ATOM 1149 CG ASP A 85 -12.689 -2.345 -3.625 1.00 0.00 C ATOM 1150 OD1 ASP A 85 -13.448 -1.428 -3.219 1.00 0.00 O ATOM 1151 OD2 ASP A 85 -12.892 -3.530 -3.338 1.00 0.00 O ATOM 0 H ASP A 85 -11.139 0.106 -3.211 1.00 0.00 H new ATOM 0 HA ASP A 85 -10.062 -2.479 -3.072 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.826 -1.139 -5.142 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.389 -2.834 -5.229 1.00 0.00 H new ATOM 1156 N GLN A 86 -9.081 -0.638 -5.606 1.00 0.00 N ATOM 1157 CA GLN A 86 -8.071 -0.449 -6.644 1.00 0.00 C ATOM 1158 C GLN A 86 -6.689 -0.530 -6.118 1.00 0.00 C ATOM 1159 O GLN A 86 -5.876 -1.186 -6.726 1.00 0.00 O ATOM 1160 CB GLN A 86 -8.309 0.845 -7.410 1.00 0.00 C ATOM 1161 CG GLN A 86 -9.485 0.778 -8.360 1.00 0.00 C ATOM 1162 CD GLN A 86 -9.205 -0.129 -9.539 1.00 0.00 C ATOM 1163 OE1 GLN A 86 -7.964 -0.172 -9.971 1.00 0.00 O flip ATOM 1164 NE2 GLN A 86 -10.103 -0.770 -10.081 1.00 0.00 N flip ATOM 0 H GLN A 86 -9.751 0.129 -5.544 1.00 0.00 H new ATOM 0 HA GLN A 86 -8.177 -1.278 -7.344 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -8.473 1.654 -6.698 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -7.410 1.094 -7.974 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -10.364 0.418 -7.825 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -9.719 1.780 -8.720 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -11.056 -0.716 -9.722 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -9.895 -1.356 -10.889 1.00 0.00 H new ATOM 1173 N VAL A 87 -6.408 0.093 -4.997 1.00 0.00 N ATOM 1174 CA VAL A 87 -5.093 -0.037 -4.455 1.00 0.00 C ATOM 1175 C VAL A 87 -4.839 -1.457 -4.023 1.00 0.00 C ATOM 1176 O VAL A 87 -3.875 -2.021 -4.430 1.00 0.00 O ATOM 1177 CB VAL A 87 -4.703 0.987 -3.343 1.00 0.00 C ATOM 1178 CG1 VAL A 87 -4.622 2.381 -3.898 1.00 0.00 C ATOM 1179 CG2 VAL A 87 -5.658 0.963 -2.196 1.00 0.00 C ATOM 0 H VAL A 87 -7.054 0.675 -4.464 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.427 0.223 -5.277 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.722 0.687 -2.975 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.349 3.074 -3.102 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -3.868 2.416 -4.685 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.590 2.665 -4.310 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -5.346 1.691 -1.448 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -6.658 1.212 -2.550 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.668 -0.032 -1.752 1.00 0.00 H new ATOM 1189 N THR A 88 -5.768 -2.081 -3.302 1.00 0.00 N ATOM 1190 CA THR A 88 -5.516 -3.436 -2.815 1.00 0.00 C ATOM 1191 C THR A 88 -5.379 -4.486 -3.913 1.00 0.00 C ATOM 1192 O THR A 88 -4.576 -5.444 -3.805 1.00 0.00 O ATOM 1193 CB THR A 88 -6.492 -3.854 -1.716 1.00 0.00 C ATOM 1194 OG1 THR A 88 -7.867 -3.719 -2.140 1.00 0.00 O ATOM 1195 CG2 THR A 88 -6.264 -2.976 -0.533 1.00 0.00 C ATOM 0 H THR A 88 -6.674 -1.687 -3.048 1.00 0.00 H new ATOM 0 HA THR A 88 -4.528 -3.388 -2.358 1.00 0.00 H new ATOM 0 HB THR A 88 -6.317 -4.903 -1.476 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.894 -3.410 -3.070 1.00 0.00 H new ATOM 0 HG21 THR A 88 -6.951 -3.256 0.266 1.00 0.00 H new ATOM 0 HG22 THR A 88 -5.237 -3.092 -0.186 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.437 -1.937 -0.812 1.00 0.00 H new ATOM 1203 N ARG A 89 -6.084 -4.268 -4.969 1.00 0.00 N ATOM 1204 CA ARG A 89 -6.055 -5.163 -6.095 1.00 0.00 C ATOM 1205 C ARG A 89 -4.786 -4.903 -6.869 1.00 0.00 C ATOM 1206 O ARG A 89 -4.097 -5.838 -7.265 1.00 0.00 O ATOM 1207 CB ARG A 89 -7.281 -4.967 -6.987 1.00 0.00 C ATOM 1208 CG ARG A 89 -7.461 -6.050 -8.033 1.00 0.00 C ATOM 1209 CD ARG A 89 -7.699 -7.390 -7.364 1.00 0.00 C ATOM 1210 NE ARG A 89 -7.897 -8.472 -8.321 1.00 0.00 N ATOM 1211 CZ ARG A 89 -8.286 -9.705 -8.002 1.00 0.00 C ATOM 1212 NH1 ARG A 89 -8.661 -9.994 -6.750 1.00 0.00 N ATOM 1213 NH2 ARG A 89 -8.344 -10.639 -8.939 1.00 0.00 N ATOM 0 H ARG A 89 -6.701 -3.465 -5.085 1.00 0.00 H new ATOM 0 HA ARG A 89 -6.076 -6.195 -5.744 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -8.172 -4.930 -6.360 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -7.203 -4.002 -7.488 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -8.303 -5.804 -8.681 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -6.576 -6.104 -8.667 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -6.849 -7.628 -6.724 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -8.574 -7.318 -6.718 1.00 0.00 H new ATOM 0 HE ARG A 89 -7.725 -8.270 -9.306 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -8.650 -9.268 -6.034 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -8.958 -10.940 -6.512 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -8.091 -10.413 -9.901 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -8.641 -11.585 -8.699 1.00 0.00 H new ATOM 1227 N ALA A 90 -4.471 -3.621 -7.062 1.00 0.00 N ATOM 1228 CA ALA A 90 -3.204 -3.231 -7.692 1.00 0.00 C ATOM 1229 C ALA A 90 -2.045 -3.748 -6.876 1.00 0.00 C ATOM 1230 O ALA A 90 -1.064 -4.167 -7.452 1.00 0.00 O ATOM 1231 CB ALA A 90 -3.094 -1.724 -7.875 1.00 0.00 C ATOM 0 H ALA A 90 -5.069 -2.839 -6.794 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.177 -3.677 -8.686 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.140 -1.483 -8.345 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.909 -1.374 -8.508 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.154 -1.234 -6.903 1.00 0.00 H new ATOM 1237 N LEU A 91 -2.173 -3.711 -5.518 1.00 0.00 N ATOM 1238 CA LEU A 91 -1.190 -4.332 -4.625 1.00 0.00 C ATOM 1239 C LEU A 91 -0.984 -5.729 -5.052 1.00 0.00 C ATOM 1240 O LEU A 91 0.079 -6.092 -5.469 1.00 0.00 O ATOM 1241 CB LEU A 91 -1.608 -4.371 -3.107 1.00 0.00 C ATOM 1242 CG LEU A 91 -1.153 -3.207 -2.179 1.00 0.00 C ATOM 1243 CD1 LEU A 91 -1.568 -1.852 -2.676 1.00 0.00 C ATOM 1244 CD2 LEU A 91 -1.671 -3.424 -0.769 1.00 0.00 C ATOM 0 H LEU A 91 -2.948 -3.257 -5.035 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.294 -3.715 -4.698 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.696 -4.422 -3.064 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.228 -5.300 -2.683 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.063 -3.221 -2.181 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.219 -1.087 -1.982 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.132 -1.676 -3.659 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.655 -1.808 -2.748 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.345 -2.602 -0.131 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.760 -3.462 -0.783 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.280 -4.364 -0.378 1.00 0.00 H new ATOM 1256 N GLU A 92 -2.040 -6.482 -5.038 1.00 0.00 N ATOM 1257 CA GLU A 92 -1.955 -7.912 -5.294 1.00 0.00 C ATOM 1258 C GLU A 92 -1.366 -8.161 -6.685 1.00 0.00 C ATOM 1259 O GLU A 92 -0.472 -9.008 -6.838 1.00 0.00 O ATOM 1260 CB GLU A 92 -3.340 -8.540 -5.077 1.00 0.00 C ATOM 1261 CG GLU A 92 -3.398 -10.043 -4.835 1.00 0.00 C ATOM 1262 CD GLU A 92 -2.873 -10.868 -5.967 1.00 0.00 C ATOM 1263 OE1 GLU A 92 -3.329 -10.696 -7.119 1.00 0.00 O ATOM 1264 OE2 GLU A 92 -2.018 -11.729 -5.724 1.00 0.00 O ATOM 0 H GLU A 92 -2.983 -6.140 -4.852 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.275 -8.398 -4.595 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.805 -8.044 -4.225 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.952 -8.316 -5.950 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.829 -10.277 -3.935 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -4.432 -10.329 -4.641 1.00 0.00 H new ATOM 1271 N ASN A 93 -1.824 -7.390 -7.638 1.00 0.00 N ATOM 1272 CA ASN A 93 -1.287 -7.398 -8.977 1.00 0.00 C ATOM 1273 C ASN A 93 0.237 -7.234 -8.933 1.00 0.00 C ATOM 1274 O ASN A 93 1.010 -8.216 -9.198 1.00 0.00 O ATOM 1275 CB ASN A 93 -1.943 -6.258 -9.797 1.00 0.00 C ATOM 1276 CG ASN A 93 -3.260 -6.642 -10.439 1.00 0.00 C ATOM 1277 OD1 ASN A 93 -3.493 -7.804 -10.772 1.00 0.00 O ATOM 1278 ND2 ASN A 93 -4.109 -5.676 -10.669 1.00 0.00 N ATOM 0 H ASN A 93 -2.590 -6.730 -7.505 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.510 -8.351 -9.458 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.105 -5.401 -9.144 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -1.250 -5.939 -10.576 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.993 -5.875 -11.137 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -3.887 -4.723 -10.381 1.00 0.00 H new ATOM 1285 N VAL A 94 0.676 -6.054 -8.482 1.00 0.00 N ATOM 1286 CA VAL A 94 2.080 -5.716 -8.429 1.00 0.00 C ATOM 1287 C VAL A 94 2.900 -6.639 -7.642 1.00 0.00 C ATOM 1288 O VAL A 94 3.978 -7.065 -8.094 1.00 0.00 O ATOM 1289 CB VAL A 94 2.416 -4.278 -7.990 1.00 0.00 C ATOM 1290 CG1 VAL A 94 2.048 -3.263 -9.047 1.00 0.00 C ATOM 1291 CG2 VAL A 94 1.827 -3.881 -6.644 1.00 0.00 C ATOM 0 H VAL A 94 0.059 -5.315 -8.146 1.00 0.00 H new ATOM 0 HA VAL A 94 2.340 -5.809 -9.484 1.00 0.00 H new ATOM 0 HB VAL A 94 3.498 -4.277 -7.862 1.00 0.00 H new ATOM 0 HG11 VAL A 94 2.302 -2.263 -8.695 1.00 0.00 H new ATOM 0 HG12 VAL A 94 2.598 -3.476 -9.963 1.00 0.00 H new ATOM 0 HG13 VAL A 94 0.978 -3.317 -9.246 1.00 0.00 H new ATOM 0 HG21 VAL A 94 2.111 -2.855 -6.411 1.00 0.00 H new ATOM 0 HG22 VAL A 94 0.740 -3.956 -6.686 1.00 0.00 H new ATOM 0 HG23 VAL A 94 2.207 -4.548 -5.870 1.00 0.00 H new ATOM 1301 N LEU A 95 2.425 -7.011 -6.532 1.00 0.00 N ATOM 1302 CA LEU A 95 3.298 -7.651 -5.649 1.00 0.00 C ATOM 1303 C LEU A 95 3.284 -9.109 -5.650 1.00 0.00 C ATOM 1304 O LEU A 95 4.202 -9.722 -5.119 1.00 0.00 O ATOM 1305 CB LEU A 95 3.247 -7.055 -4.282 1.00 0.00 C ATOM 1306 CG LEU A 95 1.888 -7.025 -3.599 1.00 0.00 C ATOM 1307 CD1 LEU A 95 1.418 -8.365 -3.086 1.00 0.00 C ATOM 1308 CD2 LEU A 95 1.827 -5.972 -2.553 1.00 0.00 C ATOM 0 H LEU A 95 1.463 -6.890 -6.215 1.00 0.00 H new ATOM 0 HA LEU A 95 4.283 -7.441 -6.066 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.936 -7.608 -3.644 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.620 -6.033 -4.343 1.00 0.00 H new ATOM 0 HG LEU A 95 1.176 -6.764 -4.382 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.442 -8.252 -2.614 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.340 -9.066 -3.917 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.132 -8.746 -2.356 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.842 -5.979 -2.086 1.00 0.00 H new ATOM 0 HD22 LEU A 95 2.588 -6.165 -1.797 1.00 0.00 H new ATOM 0 HD23 LEU A 95 2.006 -4.997 -3.007 1.00 0.00 H new ATOM 1320 N SER A 96 2.294 -9.688 -6.146 1.00 0.00 N ATOM 1321 CA SER A 96 2.376 -11.077 -6.220 1.00 0.00 C ATOM 1322 C SER A 96 2.969 -11.454 -7.565 1.00 0.00 C ATOM 1323 O SER A 96 3.463 -12.576 -7.735 1.00 0.00 O ATOM 1324 CB SER A 96 1.054 -11.762 -5.962 1.00 0.00 C ATOM 1325 OG SER A 96 0.486 -11.350 -4.721 1.00 0.00 O ATOM 0 H SER A 96 1.442 -9.252 -6.498 1.00 0.00 H new ATOM 0 HA SER A 96 3.029 -11.432 -5.423 1.00 0.00 H new ATOM 0 HB2 SER A 96 0.362 -11.536 -6.773 1.00 0.00 H new ATOM 0 HB3 SER A 96 1.198 -12.842 -5.957 1.00 0.00 H new ATOM 0 HG SER A 96 -0.492 -11.384 -4.781 1.00 0.00 H new ATOM 1331 N GLY A 97 2.913 -10.528 -8.552 1.00 0.00 N ATOM 1332 CA GLY A 97 3.610 -10.839 -9.754 1.00 0.00 C ATOM 1333 C GLY A 97 3.595 -9.776 -10.805 1.00 0.00 C ATOM 1334 O GLY A 97 3.598 -10.109 -11.988 1.00 0.00 O ATOM 0 H GLY A 97 2.423 -9.634 -8.521 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.647 -11.062 -9.504 1.00 0.00 H new ATOM 0 HA3 GLY A 97 3.181 -11.748 -10.176 1.00 0.00 H new ATOM 1338 N LYS A 98 3.582 -8.500 -10.449 1.00 0.00 N ATOM 1339 CA LYS A 98 3.598 -7.517 -11.560 1.00 0.00 C ATOM 1340 C LYS A 98 4.961 -7.009 -11.802 1.00 0.00 C ATOM 1341 O LYS A 98 5.324 -6.662 -12.927 1.00 0.00 O ATOM 1342 CB LYS A 98 2.636 -6.374 -11.392 1.00 0.00 C ATOM 1343 CG LYS A 98 1.581 -6.275 -12.472 1.00 0.00 C ATOM 1344 CD LYS A 98 2.205 -5.992 -13.824 1.00 0.00 C ATOM 1345 CE LYS A 98 1.157 -5.942 -14.928 1.00 0.00 C ATOM 1346 NZ LYS A 98 0.444 -7.230 -15.076 1.00 0.00 N ATOM 0 H LYS A 98 3.562 -8.129 -9.499 1.00 0.00 H new ATOM 0 HA LYS A 98 3.255 -8.071 -12.433 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.140 -6.472 -10.426 1.00 0.00 H new ATOM 0 HB3 LYS A 98 3.200 -5.442 -11.367 1.00 0.00 H new ATOM 0 HG2 LYS A 98 1.015 -7.205 -12.517 1.00 0.00 H new ATOM 0 HG3 LYS A 98 0.874 -5.484 -12.222 1.00 0.00 H new ATOM 0 HD2 LYS A 98 2.740 -5.043 -13.787 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.940 -6.763 -14.054 1.00 0.00 H new ATOM 0 HE2 LYS A 98 0.438 -5.153 -14.709 1.00 0.00 H new ATOM 0 HE3 LYS A 98 1.637 -5.683 -15.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 0.431 -7.507 -16.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 0.931 -7.962 -14.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -0.532 -7.128 -14.733 1.00 0.00 H new ATOM 1360 N ALA A 99 5.683 -6.965 -10.763 1.00 0.00 N ATOM 1361 CA ALA A 99 7.023 -6.490 -10.767 1.00 0.00 C ATOM 1362 C ALA A 99 7.929 -7.460 -11.518 1.00 0.00 C ATOM 1363 O ALA A 99 8.231 -7.216 -12.700 1.00 0.00 O ATOM 1364 CB ALA A 99 7.473 -6.281 -9.341 1.00 0.00 C ATOM 1365 OXT ALA A 99 8.304 -8.494 -10.965 1.00 0.00 O ATOM 0 H ALA A 99 5.358 -7.267 -9.845 1.00 0.00 H new ATOM 0 HA ALA A 99 7.081 -5.535 -11.289 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.500 -5.917 -9.333 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.825 -5.550 -8.858 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.419 -7.226 -8.800 1.00 0.00 H new TER 1371 ALA A 99