USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 719 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 32 ASN : amide:sc= -5.09! C(o=-7.6!,f=-6.9!) USER MOD Set 1.2: A 41 GLN : amide:sc= -2.49 K(o=-7.6,f=-6.2) USER MOD Set 1.3: A 64 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 35 THR OG1 : rot 180:sc= -0.306 USER MOD Set 2.2: A 37 SER OG : rot 180:sc= 0.0627 USER MOD Set 3.1: A 2 SER OG : rot -9:sc= 0.799 USER MOD Set 3.2: A 5 THR OG1 : rot -45:sc= 1.27 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.288 K(o=-0.29,f=-6.3!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 149:sc= -0.164 (180deg=-0.849) USER MOD Single : A 53 GLN : amide:sc= -2.57 K(o=-2.6,f=-4.5!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot -60:sc= -1.53 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 88 LYS NZ :NH3+ 134:sc= -1.11 (180deg=-1.69!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -126:sc= 0.0956 (180deg=-0.0588) USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 2 2.485 2.185 -1.045 1.00 0.00 N ATOM 19 CA SER A 2 2.976 3.556 -1.128 1.00 0.00 C ATOM 20 C SER A 2 2.168 4.477 -0.219 1.00 0.00 C ATOM 21 O SER A 2 0.990 4.735 -0.465 1.00 0.00 O ATOM 22 CB SER A 2 2.909 4.058 -2.571 1.00 0.00 C ATOM 23 OG SER A 2 2.120 3.197 -3.375 1.00 0.00 O ATOM 0 HA SER A 2 4.014 3.565 -0.796 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.490 5.064 -2.590 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.916 4.124 -2.983 1.00 0.00 H new ATOM 0 HG SER A 2 1.898 2.388 -2.868 1.00 0.00 H new ATOM 29 N VAL A 3 2.812 4.971 0.835 1.00 0.00 N ATOM 30 CA VAL A 3 2.155 5.866 1.781 1.00 0.00 C ATOM 31 C VAL A 3 1.847 7.214 1.140 1.00 0.00 C ATOM 32 O VAL A 3 0.852 7.857 1.472 1.00 0.00 O ATOM 33 CB VAL A 3 3.023 6.091 3.034 1.00 0.00 C ATOM 34 CG1 VAL A 3 2.362 7.093 3.968 1.00 0.00 C ATOM 35 CG2 VAL A 3 3.279 4.773 3.748 1.00 0.00 C ATOM 0 H VAL A 3 3.787 4.767 1.055 1.00 0.00 H new ATOM 0 HA VAL A 3 1.221 5.386 2.075 1.00 0.00 H new ATOM 0 HB VAL A 3 3.983 6.501 2.721 1.00 0.00 H new ATOM 0 HG11 VAL A 3 2.989 7.239 4.847 1.00 0.00 H new ATOM 0 HG12 VAL A 3 2.235 8.044 3.451 1.00 0.00 H new ATOM 0 HG13 VAL A 3 1.387 6.715 4.276 1.00 0.00 H new ATOM 0 HG21 VAL A 3 3.894 4.951 4.631 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.329 4.332 4.050 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.798 4.090 3.076 1.00 0.00 H new ATOM 45 N GLU A 4 2.708 7.636 0.219 1.00 0.00 N ATOM 46 CA GLU A 4 2.527 8.909 -0.468 1.00 0.00 C ATOM 47 C GLU A 4 1.247 8.902 -1.298 1.00 0.00 C ATOM 48 O GLU A 4 0.517 9.893 -1.344 1.00 0.00 O ATOM 49 CB GLU A 4 3.729 9.203 -1.368 1.00 0.00 C ATOM 50 CG GLU A 4 4.556 10.393 -0.909 1.00 0.00 C ATOM 51 CD GLU A 4 5.544 10.030 0.183 1.00 0.00 C ATOM 52 OE1 GLU A 4 5.155 9.290 1.111 1.00 0.00 O ATOM 53 OE2 GLU A 4 6.704 10.485 0.110 1.00 0.00 O ATOM 0 H GLU A 4 3.537 7.115 -0.068 1.00 0.00 H new ATOM 0 HA GLU A 4 2.446 9.692 0.286 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.368 8.321 -1.407 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.376 9.386 -2.383 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.097 10.805 -1.761 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.890 11.175 -0.546 1.00 0.00 H new ATOM 60 N THR A 5 0.980 7.777 -1.954 1.00 0.00 N ATOM 61 CA THR A 5 -0.211 7.640 -2.784 1.00 0.00 C ATOM 62 C THR A 5 -1.478 7.688 -1.939 1.00 0.00 C ATOM 63 O THR A 5 -2.581 7.841 -2.465 1.00 0.00 O ATOM 64 CB THR A 5 -0.190 6.324 -3.584 1.00 0.00 C ATOM 65 OG1 THR A 5 -0.261 5.207 -2.691 1.00 0.00 O ATOM 66 CG2 THR A 5 1.071 6.224 -4.429 1.00 0.00 C ATOM 0 H THR A 5 1.573 6.947 -1.927 1.00 0.00 H new ATOM 0 HA THR A 5 -0.210 8.479 -3.480 1.00 0.00 H new ATOM 0 HB THR A 5 -1.055 6.314 -4.248 1.00 0.00 H new ATOM 0 HG1 THR A 5 0.350 5.350 -1.939 1.00 0.00 H new ATOM 0 HG21 THR A 5 1.063 5.286 -4.985 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.108 7.060 -5.128 1.00 0.00 H new ATOM 0 HG23 THR A 5 1.947 6.254 -3.781 1.00 0.00 H new ATOM 74 N ILE A 6 -1.314 7.556 -0.627 1.00 0.00 N ATOM 75 CA ILE A 6 -2.447 7.586 0.291 1.00 0.00 C ATOM 76 C ILE A 6 -2.842 9.020 0.629 1.00 0.00 C ATOM 77 O ILE A 6 -3.997 9.412 0.460 1.00 0.00 O ATOM 78 CB ILE A 6 -2.134 6.831 1.596 1.00 0.00 C ATOM 79 CG1 ILE A 6 -1.240 5.622 1.309 1.00 0.00 C ATOM 80 CG2 ILE A 6 -3.422 6.393 2.277 1.00 0.00 C ATOM 81 CD1 ILE A 6 -1.811 4.680 0.273 1.00 0.00 C ATOM 0 H ILE A 6 -0.408 7.427 -0.176 1.00 0.00 H new ATOM 0 HA ILE A 6 -3.277 7.092 -0.215 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.601 7.503 2.268 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -0.265 5.973 0.971 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.077 5.073 2.236 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -3.184 5.861 3.198 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -4.026 7.270 2.510 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.980 5.734 1.611 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.124 3.847 0.121 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.772 4.299 0.618 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.948 5.214 -0.667 1.00 0.00 H new ATOM 93 N ILE A 7 -1.876 9.797 1.106 1.00 0.00 N ATOM 94 CA ILE A 7 -2.123 11.188 1.465 1.00 0.00 C ATOM 95 C ILE A 7 -2.465 12.021 0.235 1.00 0.00 C ATOM 96 O ILE A 7 -3.184 13.015 0.326 1.00 0.00 O ATOM 97 CB ILE A 7 -0.905 11.812 2.172 1.00 0.00 C ATOM 98 CG1 ILE A 7 -0.702 11.170 3.546 1.00 0.00 C ATOM 99 CG2 ILE A 7 -1.084 13.317 2.306 1.00 0.00 C ATOM 100 CD1 ILE A 7 -1.715 11.615 4.577 1.00 0.00 C ATOM 0 H ILE A 7 -0.915 9.487 1.253 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.971 11.191 2.150 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.017 11.624 1.569 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.753 10.086 3.443 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.299 11.409 3.905 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.215 13.744 2.808 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -1.186 13.761 1.316 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.980 13.526 2.891 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.510 11.120 5.526 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.649 12.695 4.709 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -2.717 11.351 4.240 1.00 0.00 H new ATOM 112 N GLU A 8 -1.944 11.607 -0.916 1.00 0.00 N ATOM 113 CA GLU A 8 -2.195 12.316 -2.166 1.00 0.00 C ATOM 114 C GLU A 8 -3.683 12.607 -2.337 1.00 0.00 C ATOM 115 O GLU A 8 -4.065 13.651 -2.865 1.00 0.00 O ATOM 116 CB GLU A 8 -1.684 11.497 -3.354 1.00 0.00 C ATOM 117 CG GLU A 8 -2.693 10.488 -3.876 1.00 0.00 C ATOM 118 CD GLU A 8 -2.068 9.466 -4.806 1.00 0.00 C ATOM 119 OE1 GLU A 8 -0.968 9.737 -5.331 1.00 0.00 O ATOM 120 OE2 GLU A 8 -2.678 8.396 -5.008 1.00 0.00 O ATOM 0 H GLU A 8 -1.346 10.786 -1.009 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.659 13.264 -2.130 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.410 12.176 -4.162 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.776 10.971 -3.058 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.155 9.973 -3.034 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -3.489 11.015 -4.403 1.00 0.00 H new ATOM 127 N ARG A 9 -4.517 11.675 -1.888 1.00 0.00 N ATOM 128 CA ARG A 9 -5.963 11.830 -1.992 1.00 0.00 C ATOM 129 C ARG A 9 -6.478 12.840 -0.971 1.00 0.00 C ATOM 130 O ARG A 9 -7.425 13.580 -1.237 1.00 0.00 O ATOM 131 CB ARG A 9 -6.658 10.482 -1.788 1.00 0.00 C ATOM 132 CG ARG A 9 -6.606 9.579 -3.009 1.00 0.00 C ATOM 133 CD ARG A 9 -5.737 8.356 -2.761 1.00 0.00 C ATOM 134 NE ARG A 9 -5.866 7.368 -3.828 1.00 0.00 N ATOM 135 CZ ARG A 9 -5.270 6.181 -3.807 1.00 0.00 C ATOM 136 NH1 ARG A 9 -4.509 5.836 -2.777 1.00 0.00 N ATOM 137 NH2 ARG A 9 -5.435 5.335 -4.816 1.00 0.00 N ATOM 0 H ARG A 9 -4.216 10.805 -1.449 1.00 0.00 H new ATOM 0 HA ARG A 9 -6.192 12.202 -2.991 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -6.194 9.968 -0.946 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -7.700 10.657 -1.520 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.615 9.262 -3.272 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -6.216 10.138 -3.860 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -4.695 8.663 -2.675 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -6.014 7.901 -1.810 1.00 0.00 H new ATOM 0 HE ARG A 9 -6.446 7.602 -4.634 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.380 6.483 -1.999 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -4.052 4.924 -2.763 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -6.020 5.596 -5.610 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -4.976 4.424 -4.798 1.00 0.00 H new ATOM 151 N ILE A 10 -5.847 12.863 0.199 1.00 0.00 N ATOM 152 CA ILE A 10 -6.241 13.782 1.260 1.00 0.00 C ATOM 153 C ILE A 10 -5.964 15.229 0.865 1.00 0.00 C ATOM 154 O ILE A 10 -6.842 16.087 0.954 1.00 0.00 O ATOM 155 CB ILE A 10 -5.504 13.471 2.576 1.00 0.00 C ATOM 156 CG1 ILE A 10 -6.096 12.225 3.236 1.00 0.00 C ATOM 157 CG2 ILE A 10 -5.578 14.663 3.519 1.00 0.00 C ATOM 158 CD1 ILE A 10 -5.280 11.711 4.401 1.00 0.00 C ATOM 0 H ILE A 10 -5.062 12.256 0.436 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.312 13.648 1.412 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.456 13.276 2.350 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -7.105 12.452 3.582 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.185 11.436 2.489 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.053 14.428 4.445 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.113 15.529 3.048 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -6.621 14.887 3.741 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.760 10.826 4.819 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.278 11.452 4.058 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.213 12.484 5.167 1.00 0.00 H new ATOM 170 N LYS A 11 -4.738 15.492 0.426 1.00 0.00 N ATOM 171 CA LYS A 11 -4.345 16.834 0.013 1.00 0.00 C ATOM 172 C LYS A 11 -5.148 17.288 -1.201 1.00 0.00 C ATOM 173 O LYS A 11 -5.692 18.392 -1.221 1.00 0.00 O ATOM 174 CB LYS A 11 -2.849 16.874 -0.308 1.00 0.00 C ATOM 175 CG LYS A 11 -2.005 16.017 0.620 1.00 0.00 C ATOM 176 CD LYS A 11 -0.523 16.303 0.448 1.00 0.00 C ATOM 177 CE LYS A 11 -0.119 16.295 -1.018 1.00 0.00 C ATOM 178 NZ LYS A 11 1.183 15.604 -1.231 1.00 0.00 N ATOM 0 H LYS A 11 -3.999 14.793 0.347 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.552 17.515 0.838 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.697 16.541 -1.335 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.501 17.906 -0.253 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.295 16.204 1.654 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.199 14.963 0.420 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.285 17.272 0.886 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.058 15.557 0.990 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.893 15.801 -1.605 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.050 17.320 -1.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 1.423 15.620 -2.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.927 16.091 -0.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.110 14.618 -0.908 1.00 0.00 H new ATOM 192 N ALA A 12 -5.220 16.428 -2.212 1.00 0.00 N ATOM 193 CA ALA A 12 -5.961 16.739 -3.429 1.00 0.00 C ATOM 194 C ALA A 12 -7.380 17.195 -3.106 1.00 0.00 C ATOM 195 O ALA A 12 -7.898 18.126 -3.723 1.00 0.00 O ATOM 196 CB ALA A 12 -5.989 15.531 -4.353 1.00 0.00 C ATOM 0 H ALA A 12 -4.774 15.511 -2.212 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.451 17.558 -3.936 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.545 15.777 -5.257 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -4.969 15.253 -4.619 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.473 14.696 -3.846 1.00 0.00 H new ATOM 202 N ARG A 13 -8.003 16.532 -2.137 1.00 0.00 N ATOM 203 CA ARG A 13 -9.363 16.868 -1.735 1.00 0.00 C ATOM 204 C ARG A 13 -9.373 18.084 -0.813 1.00 0.00 C ATOM 205 O ARG A 13 -10.235 18.956 -0.926 1.00 0.00 O ATOM 206 CB ARG A 13 -10.019 15.678 -1.033 1.00 0.00 C ATOM 207 CG ARG A 13 -11.422 15.967 -0.525 1.00 0.00 C ATOM 208 CD ARG A 13 -12.400 16.165 -1.672 1.00 0.00 C ATOM 209 NE ARG A 13 -13.554 15.275 -1.568 1.00 0.00 N ATOM 210 CZ ARG A 13 -14.575 15.489 -0.745 1.00 0.00 C ATOM 211 NH1 ARG A 13 -14.586 16.557 0.039 1.00 0.00 N ATOM 212 NH2 ARG A 13 -15.588 14.633 -0.707 1.00 0.00 N ATOM 0 H ARG A 13 -7.588 15.760 -1.616 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.931 17.110 -2.633 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -10.058 14.836 -1.724 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -9.394 15.372 -0.194 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -11.759 15.143 0.104 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -11.407 16.860 0.100 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -12.741 17.200 -1.683 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -11.889 15.987 -2.618 1.00 0.00 H new ATOM 0 HE ARG A 13 -13.577 14.444 -2.159 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -13.809 17.218 0.012 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -15.371 16.719 0.670 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -15.583 13.810 -1.310 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -16.371 14.798 -0.075 1.00 0.00 H new ATOM 226 N VAL A 14 -8.408 18.136 0.100 1.00 0.00 N ATOM 227 CA VAL A 14 -8.305 19.244 1.042 1.00 0.00 C ATOM 228 C VAL A 14 -8.331 20.585 0.317 1.00 0.00 C ATOM 229 O VAL A 14 -8.944 21.544 0.784 1.00 0.00 O ATOM 230 CB VAL A 14 -7.016 19.151 1.879 1.00 0.00 C ATOM 231 CG1 VAL A 14 -6.710 20.487 2.539 1.00 0.00 C ATOM 232 CG2 VAL A 14 -7.135 18.048 2.920 1.00 0.00 C ATOM 0 H VAL A 14 -7.686 17.423 0.207 1.00 0.00 H new ATOM 0 HA VAL A 14 -9.166 19.176 1.706 1.00 0.00 H new ATOM 0 HB VAL A 14 -6.189 18.904 1.214 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.796 20.402 3.126 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -6.579 21.250 1.772 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.536 20.768 3.192 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.215 17.997 3.502 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -7.973 18.263 3.583 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -7.302 17.093 2.421 1.00 0.00 H new ATOM 242 N GLY A 15 -7.662 20.644 -0.831 1.00 0.00 N ATOM 243 CA GLY A 15 -7.621 21.872 -1.603 1.00 0.00 C ATOM 244 C GLY A 15 -8.971 22.232 -2.191 1.00 0.00 C ATOM 245 O GLY A 15 -9.192 23.369 -2.607 1.00 0.00 O ATOM 0 H GLY A 15 -7.148 19.863 -1.240 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.277 22.687 -0.966 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -6.894 21.767 -2.408 1.00 0.00 H new ATOM 249 N ALA A 16 -9.877 21.260 -2.228 1.00 0.00 N ATOM 250 CA ALA A 16 -11.212 21.481 -2.770 1.00 0.00 C ATOM 251 C ALA A 16 -12.243 21.612 -1.653 1.00 0.00 C ATOM 252 O ALA A 16 -13.242 22.316 -1.797 1.00 0.00 O ATOM 253 CB ALA A 16 -11.593 20.348 -3.712 1.00 0.00 C ATOM 0 H ALA A 16 -9.711 20.312 -1.889 1.00 0.00 H new ATOM 0 HA ALA A 16 -11.200 22.416 -3.330 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -12.592 20.526 -4.110 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -10.878 20.302 -4.534 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -11.582 19.403 -3.168 1.00 0.00 H new ATOM 398 N LEU A 26 -11.804 23.252 13.698 1.00 0.00 N ATOM 399 CA LEU A 26 -10.627 23.886 13.114 1.00 0.00 C ATOM 400 C LEU A 26 -9.401 23.673 13.996 1.00 0.00 C ATOM 401 O LEU A 26 -9.330 24.185 15.113 1.00 0.00 O ATOM 402 CB LEU A 26 -10.874 25.383 12.918 1.00 0.00 C ATOM 403 CG LEU A 26 -11.277 26.166 14.168 1.00 0.00 C ATOM 404 CD1 LEU A 26 -10.434 27.425 14.303 1.00 0.00 C ATOM 405 CD2 LEU A 26 -12.757 26.516 14.124 1.00 0.00 C ATOM 0 HA LEU A 26 -10.440 23.425 12.144 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.967 25.830 12.510 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.656 25.507 12.168 1.00 0.00 H new ATOM 0 HG LEU A 26 -11.098 25.538 15.041 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.734 27.970 15.198 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -9.382 27.152 14.381 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.581 28.057 13.427 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -13.026 27.073 15.021 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -12.961 27.126 13.244 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -13.346 25.600 14.075 1.00 0.00 H new ATOM 417 N GLY A 27 -8.435 22.914 13.486 1.00 0.00 N ATOM 418 CA GLY A 27 -7.224 22.649 14.239 1.00 0.00 C ATOM 419 C GLY A 27 -6.204 21.863 13.439 1.00 0.00 C ATOM 420 O GLY A 27 -6.017 22.109 12.247 1.00 0.00 O ATOM 0 H GLY A 27 -8.470 22.478 12.564 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.783 23.594 14.556 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.476 22.096 15.144 1.00 0.00 H new ATOM 424 N VAL A 28 -5.540 20.917 14.095 1.00 0.00 N ATOM 425 CA VAL A 28 -4.533 20.094 13.437 1.00 0.00 C ATOM 426 C VAL A 28 -4.522 18.679 14.006 1.00 0.00 C ATOM 427 O VAL A 28 -4.792 18.472 15.190 1.00 0.00 O ATOM 428 CB VAL A 28 -3.126 20.704 13.582 1.00 0.00 C ATOM 429 CG1 VAL A 28 -2.173 20.100 12.563 1.00 0.00 C ATOM 430 CG2 VAL A 28 -3.185 22.217 13.438 1.00 0.00 C ATOM 0 H VAL A 28 -5.681 20.702 15.082 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.797 20.056 12.380 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.749 20.470 14.578 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.185 20.544 12.682 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.108 19.023 12.719 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.542 20.299 11.557 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.183 22.632 13.543 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.583 22.474 12.456 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.832 22.631 14.211 1.00 0.00 H new ATOM 440 N PHE A 29 -4.208 17.708 13.156 1.00 0.00 N ATOM 441 CA PHE A 29 -4.162 16.311 13.574 1.00 0.00 C ATOM 442 C PHE A 29 -2.831 15.672 13.189 1.00 0.00 C ATOM 443 O PHE A 29 -2.274 15.963 12.131 1.00 0.00 O ATOM 444 CB PHE A 29 -5.317 15.530 12.943 1.00 0.00 C ATOM 445 CG PHE A 29 -6.514 15.402 13.841 1.00 0.00 C ATOM 446 CD1 PHE A 29 -7.046 14.157 14.134 1.00 0.00 C ATOM 447 CD2 PHE A 29 -7.108 16.526 14.391 1.00 0.00 C ATOM 448 CE1 PHE A 29 -8.148 14.035 14.960 1.00 0.00 C ATOM 449 CE2 PHE A 29 -8.209 16.411 15.217 1.00 0.00 C ATOM 450 CZ PHE A 29 -8.731 15.164 15.501 1.00 0.00 C ATOM 0 H PHE A 29 -3.981 17.862 12.173 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.260 16.279 14.659 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.617 16.024 12.019 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -4.967 14.534 12.673 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -6.595 13.271 13.712 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -6.705 17.504 14.171 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -8.552 13.058 15.182 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.661 17.295 15.641 1.00 0.00 H new ATOM 0 HZ PHE A 29 -9.593 15.072 16.145 1.00 0.00 H new ATOM 460 N GLN A 30 -2.328 14.800 14.057 1.00 0.00 N ATOM 461 CA GLN A 30 -1.061 14.120 13.809 1.00 0.00 C ATOM 462 C GLN A 30 -1.294 12.673 13.387 1.00 0.00 C ATOM 463 O GLN A 30 -1.573 11.810 14.220 1.00 0.00 O ATOM 464 CB GLN A 30 -0.181 14.165 15.059 1.00 0.00 C ATOM 465 CG GLN A 30 1.247 13.706 14.815 1.00 0.00 C ATOM 466 CD GLN A 30 1.831 14.274 13.536 1.00 0.00 C ATOM 467 OE1 GLN A 30 1.591 15.431 13.191 1.00 0.00 O ATOM 468 NE2 GLN A 30 2.605 13.461 12.826 1.00 0.00 N ATOM 0 H GLN A 30 -2.777 14.548 14.937 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.552 14.638 12.997 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -0.165 15.184 15.445 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.628 13.538 15.831 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.870 14.004 15.658 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.272 12.617 14.770 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.777 12.509 13.150 1.00 0.00 H new ATOM 0 HE22 GLN A 30 3.027 13.789 11.957 1.00 0.00 H new ATOM 477 N LEU A 31 -1.177 12.415 12.089 1.00 0.00 N ATOM 478 CA LEU A 31 -1.375 11.071 11.556 1.00 0.00 C ATOM 479 C LEU A 31 -0.070 10.281 11.573 1.00 0.00 C ATOM 480 O LEU A 31 1.004 10.833 11.341 1.00 0.00 O ATOM 481 CB LEU A 31 -1.923 11.143 10.130 1.00 0.00 C ATOM 482 CG LEU A 31 -3.390 11.551 9.994 1.00 0.00 C ATOM 483 CD1 LEU A 31 -3.607 12.344 8.715 1.00 0.00 C ATOM 484 CD2 LEU A 31 -4.289 10.323 10.022 1.00 0.00 C ATOM 0 H LEU A 31 -0.946 13.118 11.387 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.097 10.557 12.191 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.316 11.850 9.564 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.793 10.167 9.663 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.651 12.187 10.840 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.657 12.626 8.635 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.991 13.243 8.735 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.329 11.733 7.856 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.330 10.632 9.924 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.027 9.662 9.196 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.154 9.795 10.966 1.00 0.00 H new ATOM 496 N ASN A 32 -0.173 8.985 11.848 1.00 0.00 N ATOM 497 CA ASN A 32 0.999 8.118 11.893 1.00 0.00 C ATOM 498 C ASN A 32 0.694 6.758 11.272 1.00 0.00 C ATOM 499 O ASN A 32 -0.250 6.078 11.675 1.00 0.00 O ATOM 500 CB ASN A 32 1.470 7.937 13.337 1.00 0.00 C ATOM 501 CG ASN A 32 1.029 9.076 14.236 1.00 0.00 C ATOM 502 OD1 ASN A 32 1.312 10.243 13.964 1.00 0.00 O ATOM 503 ND2 ASN A 32 0.330 8.741 15.315 1.00 0.00 N ATOM 0 H ASN A 32 -1.055 8.512 12.043 1.00 0.00 H new ATOM 0 HA ASN A 32 1.793 8.592 11.315 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.080 6.997 13.728 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.557 7.864 13.355 1.00 0.00 H new ATOM 0 HD21 ASN A 32 0.005 9.464 15.957 1.00 0.00 H new ATOM 0 HD22 ASN A 32 0.118 7.761 15.501 1.00 0.00 H new ATOM 510 N ILE A 33 1.500 6.368 10.290 1.00 0.00 N ATOM 511 CA ILE A 33 1.317 5.089 9.615 1.00 0.00 C ATOM 512 C ILE A 33 2.086 3.979 10.323 1.00 0.00 C ATOM 513 O ILE A 33 3.130 4.220 10.928 1.00 0.00 O ATOM 514 CB ILE A 33 1.774 5.158 8.145 1.00 0.00 C ATOM 515 CG1 ILE A 33 1.273 6.448 7.492 1.00 0.00 C ATOM 516 CG2 ILE A 33 1.276 3.942 7.379 1.00 0.00 C ATOM 517 CD1 ILE A 33 -0.233 6.520 7.374 1.00 0.00 C ATOM 0 H ILE A 33 2.286 6.919 9.944 1.00 0.00 H new ATOM 0 HA ILE A 33 0.251 4.866 9.646 1.00 0.00 H new ATOM 0 HB ILE A 33 2.864 5.159 8.118 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.625 7.300 8.073 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.712 6.537 6.498 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.607 4.005 6.342 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.677 3.036 7.834 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.187 3.913 7.411 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.516 7.461 6.902 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.591 5.688 6.768 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.679 6.463 8.367 1.00 0.00 H new ATOM 529 N LYS A 34 1.562 2.760 10.242 1.00 0.00 N ATOM 530 CA LYS A 34 2.200 1.610 10.872 1.00 0.00 C ATOM 531 C LYS A 34 2.600 0.571 9.829 1.00 0.00 C ATOM 532 O LYS A 34 1.772 -0.220 9.376 1.00 0.00 O ATOM 533 CB LYS A 34 1.259 0.980 11.901 1.00 0.00 C ATOM 534 CG LYS A 34 1.607 -0.458 12.244 1.00 0.00 C ATOM 535 CD LYS A 34 1.239 -0.794 13.679 1.00 0.00 C ATOM 536 CE LYS A 34 -0.267 -0.908 13.856 1.00 0.00 C ATOM 537 NZ LYS A 34 -0.633 -1.332 15.236 1.00 0.00 N ATOM 0 H LYS A 34 0.697 2.543 9.746 1.00 0.00 H new ATOM 0 HA LYS A 34 3.101 1.957 11.377 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.279 1.577 12.813 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.239 1.017 11.518 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.083 -1.132 11.566 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.674 -0.621 12.094 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.712 -1.733 13.967 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.627 -0.024 14.345 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.732 0.053 13.636 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.664 -1.626 13.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.668 -1.398 15.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.210 -2.261 15.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.277 -0.634 15.920 1.00 0.00 H new ATOM 551 N THR A 35 3.875 0.577 9.453 1.00 0.00 N ATOM 552 CA THR A 35 4.384 -0.365 8.465 1.00 0.00 C ATOM 553 C THR A 35 5.612 -1.102 8.989 1.00 0.00 C ATOM 554 O THR A 35 6.205 -0.704 9.991 1.00 0.00 O ATOM 555 CB THR A 35 4.749 0.345 7.148 1.00 0.00 C ATOM 556 OG1 THR A 35 5.261 -0.604 6.205 1.00 0.00 O ATOM 557 CG2 THR A 35 5.782 1.436 7.389 1.00 0.00 C ATOM 0 H THR A 35 4.574 1.224 9.818 1.00 0.00 H new ATOM 0 HA THR A 35 3.587 -1.083 8.273 1.00 0.00 H new ATOM 0 HB THR A 35 3.846 0.804 6.747 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.489 -0.145 5.370 1.00 0.00 H new ATOM 0 HG21 THR A 35 6.024 1.923 6.444 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.378 2.172 8.084 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.685 0.995 7.812 1.00 0.00 H new ATOM 565 N ALA A 36 5.988 -2.177 8.304 1.00 0.00 N ATOM 566 CA ALA A 36 7.147 -2.967 8.700 1.00 0.00 C ATOM 567 C ALA A 36 8.424 -2.135 8.644 1.00 0.00 C ATOM 568 O ALA A 36 9.361 -2.367 9.408 1.00 0.00 O ATOM 569 CB ALA A 36 7.277 -4.195 7.811 1.00 0.00 C ATOM 0 H ALA A 36 5.507 -2.520 7.473 1.00 0.00 H new ATOM 0 HA ALA A 36 7.000 -3.291 9.730 1.00 0.00 H new ATOM 0 HB1 ALA A 36 8.147 -4.776 8.118 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.380 -4.808 7.904 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.397 -3.882 6.774 1.00 0.00 H new ATOM 575 N SER A 37 8.454 -1.165 7.735 1.00 0.00 N ATOM 576 CA SER A 37 9.618 -0.301 7.577 1.00 0.00 C ATOM 577 C SER A 37 9.724 0.684 8.737 1.00 0.00 C ATOM 578 O SER A 37 10.785 1.255 8.986 1.00 0.00 O ATOM 579 CB SER A 37 9.538 0.460 6.253 1.00 0.00 C ATOM 580 OG SER A 37 8.575 -0.119 5.389 1.00 0.00 O ATOM 0 H SER A 37 7.686 -0.958 7.097 1.00 0.00 H new ATOM 0 HA SER A 37 10.509 -0.929 7.574 1.00 0.00 H new ATOM 0 HB2 SER A 37 9.280 1.502 6.444 1.00 0.00 H new ATOM 0 HB3 SER A 37 10.514 0.457 5.769 1.00 0.00 H new ATOM 0 HG SER A 37 8.542 0.387 4.550 1.00 0.00 H new ATOM 586 N GLY A 38 8.615 0.877 9.445 1.00 0.00 N ATOM 587 CA GLY A 38 8.604 1.794 10.570 1.00 0.00 C ATOM 588 C GLY A 38 7.268 2.490 10.738 1.00 0.00 C ATOM 589 O GLY A 38 6.221 1.842 10.765 1.00 0.00 O ATOM 0 H GLY A 38 7.725 0.415 9.260 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.843 1.248 11.482 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.385 2.542 10.433 1.00 0.00 H new ATOM 593 N VAL A 39 7.302 3.813 10.854 1.00 0.00 N ATOM 594 CA VAL A 39 6.085 4.598 11.021 1.00 0.00 C ATOM 595 C VAL A 39 6.192 5.938 10.303 1.00 0.00 C ATOM 596 O VAL A 39 7.032 6.770 10.643 1.00 0.00 O ATOM 597 CB VAL A 39 5.779 4.849 12.510 1.00 0.00 C ATOM 598 CG1 VAL A 39 4.816 6.015 12.668 1.00 0.00 C ATOM 599 CG2 VAL A 39 5.217 3.592 13.157 1.00 0.00 C ATOM 0 H VAL A 39 8.160 4.364 10.835 1.00 0.00 H new ATOM 0 HA VAL A 39 5.272 4.019 10.583 1.00 0.00 H new ATOM 0 HB VAL A 39 6.710 5.106 13.016 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.612 6.177 13.726 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.261 6.914 12.242 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.884 5.790 12.149 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.007 3.787 14.209 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.296 3.302 12.650 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.945 2.785 13.076 1.00 0.00 H new ATOM 609 N GLU A 40 5.333 6.140 9.308 1.00 0.00 N ATOM 610 CA GLU A 40 5.332 7.380 8.541 1.00 0.00 C ATOM 611 C GLU A 40 4.439 8.427 9.201 1.00 0.00 C ATOM 612 O GLU A 40 3.222 8.260 9.277 1.00 0.00 O ATOM 613 CB GLU A 40 4.859 7.120 7.109 1.00 0.00 C ATOM 614 CG GLU A 40 5.991 6.829 6.138 1.00 0.00 C ATOM 615 CD GLU A 40 5.651 7.219 4.713 1.00 0.00 C ATOM 616 OE1 GLU A 40 5.033 8.288 4.522 1.00 0.00 O ATOM 617 OE2 GLU A 40 6.003 6.457 3.788 1.00 0.00 O ATOM 0 H GLU A 40 4.630 5.462 9.015 1.00 0.00 H new ATOM 0 HA GLU A 40 6.353 7.762 8.515 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.168 6.277 7.111 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.303 7.988 6.756 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.884 7.367 6.455 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.230 5.766 6.173 1.00 0.00 H new ATOM 624 N GLN A 41 5.054 9.505 9.677 1.00 0.00 N ATOM 625 CA GLN A 41 4.315 10.578 10.332 1.00 0.00 C ATOM 626 C GLN A 41 3.792 11.582 9.310 1.00 0.00 C ATOM 627 O GLN A 41 4.457 11.872 8.315 1.00 0.00 O ATOM 628 CB GLN A 41 5.205 11.289 11.353 1.00 0.00 C ATOM 629 CG GLN A 41 5.934 10.339 12.290 1.00 0.00 C ATOM 630 CD GLN A 41 5.257 10.216 13.640 1.00 0.00 C ATOM 631 OE1 GLN A 41 5.866 10.474 14.679 1.00 0.00 O ATOM 632 NE2 GLN A 41 3.989 9.822 13.633 1.00 0.00 N ATOM 0 H GLN A 41 6.061 9.658 9.621 1.00 0.00 H new ATOM 0 HA GLN A 41 3.463 10.136 10.848 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.938 11.897 10.823 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.593 11.971 11.944 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.995 9.354 11.827 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.957 10.688 12.431 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.523 9.619 12.749 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.481 9.723 14.512 1.00 0.00 H new ATOM 641 N TRP A 42 2.599 12.108 9.562 1.00 0.00 N ATOM 642 CA TRP A 42 1.988 13.080 8.662 1.00 0.00 C ATOM 643 C TRP A 42 1.243 14.154 9.447 1.00 0.00 C ATOM 644 O TRP A 42 0.684 13.884 10.510 1.00 0.00 O ATOM 645 CB TRP A 42 1.030 12.380 7.697 1.00 0.00 C ATOM 646 CG TRP A 42 1.721 11.753 6.524 1.00 0.00 C ATOM 647 CD1 TRP A 42 2.032 10.433 6.365 1.00 0.00 C ATOM 648 CD2 TRP A 42 2.189 12.422 5.348 1.00 0.00 C ATOM 649 NE1 TRP A 42 2.664 10.240 5.160 1.00 0.00 N ATOM 650 CE2 TRP A 42 2.772 11.445 4.517 1.00 0.00 C ATOM 651 CE3 TRP A 42 2.170 13.750 4.914 1.00 0.00 C ATOM 652 CZ2 TRP A 42 3.332 11.757 3.281 1.00 0.00 C ATOM 653 CZ3 TRP A 42 2.726 14.058 3.687 1.00 0.00 C ATOM 654 CH2 TRP A 42 3.300 13.066 2.882 1.00 0.00 C ATOM 0 H TRP A 42 2.036 11.878 10.381 1.00 0.00 H new ATOM 0 HA TRP A 42 2.783 13.559 8.090 1.00 0.00 H new ATOM 0 HB2 TRP A 42 0.478 11.611 8.238 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.298 13.102 7.335 1.00 0.00 H new ATOM 0 HD1 TRP A 42 1.813 9.655 7.081 1.00 0.00 H new ATOM 0 HE1 TRP A 42 2.998 9.345 4.802 1.00 0.00 H new ATOM 0 HE3 TRP A 42 1.729 14.522 5.527 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 3.776 10.993 2.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 2.718 15.082 3.343 1.00 0.00 H new ATOM 0 HH2 TRP A 42 3.726 13.339 1.928 1.00 0.00 H new ATOM 665 N ILE A 43 1.239 15.372 8.916 1.00 0.00 N ATOM 666 CA ILE A 43 0.561 16.487 9.567 1.00 0.00 C ATOM 667 C ILE A 43 -0.590 17.005 8.712 1.00 0.00 C ATOM 668 O ILE A 43 -0.423 17.269 7.521 1.00 0.00 O ATOM 669 CB ILE A 43 1.533 17.645 9.857 1.00 0.00 C ATOM 670 CG1 ILE A 43 2.693 17.160 10.728 1.00 0.00 C ATOM 671 CG2 ILE A 43 0.801 18.795 10.532 1.00 0.00 C ATOM 672 CD1 ILE A 43 4.036 17.721 10.314 1.00 0.00 C ATOM 0 H ILE A 43 1.697 15.612 8.037 1.00 0.00 H new ATOM 0 HA ILE A 43 0.168 16.110 10.511 1.00 0.00 H new ATOM 0 HB ILE A 43 1.939 18.004 8.911 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.498 17.435 11.765 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.735 16.072 10.689 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.502 19.606 10.730 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.006 19.154 9.878 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.370 18.450 11.472 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.811 17.334 10.975 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.253 17.425 9.288 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.012 18.809 10.380 1.00 0.00 H new ATOM 684 N VAL A 44 -1.759 17.152 9.328 1.00 0.00 N ATOM 685 CA VAL A 44 -2.938 17.642 8.624 1.00 0.00 C ATOM 686 C VAL A 44 -3.615 18.765 9.402 1.00 0.00 C ATOM 687 O VAL A 44 -3.735 18.701 10.626 1.00 0.00 O ATOM 688 CB VAL A 44 -3.957 16.513 8.381 1.00 0.00 C ATOM 689 CG1 VAL A 44 -4.822 16.300 9.614 1.00 0.00 C ATOM 690 CG2 VAL A 44 -4.815 16.824 7.164 1.00 0.00 C ATOM 0 H VAL A 44 -1.915 16.939 10.313 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.596 18.025 7.662 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.412 15.590 8.186 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.536 15.499 9.424 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.190 16.029 10.460 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.361 17.219 9.843 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.530 16.016 7.007 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.353 17.758 7.327 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.178 16.921 6.285 1.00 0.00 H new ATOM 700 N ASP A 45 -4.057 19.792 8.685 1.00 0.00 N ATOM 701 CA ASP A 45 -4.725 20.929 9.308 1.00 0.00 C ATOM 702 C ASP A 45 -6.185 21.007 8.873 1.00 0.00 C ATOM 703 O ASP A 45 -6.511 20.767 7.710 1.00 0.00 O ATOM 704 CB ASP A 45 -4.003 22.229 8.952 1.00 0.00 C ATOM 705 CG ASP A 45 -4.114 23.272 10.047 1.00 0.00 C ATOM 706 OD1 ASP A 45 -3.065 23.665 10.600 1.00 0.00 O ATOM 707 OD2 ASP A 45 -5.248 23.695 10.349 1.00 0.00 O ATOM 0 H ASP A 45 -3.965 19.861 7.672 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.694 20.790 10.389 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.951 22.017 8.762 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.419 22.631 8.028 1.00 0.00 H new ATOM 712 N LEU A 46 -7.060 21.344 9.814 1.00 0.00 N ATOM 713 CA LEU A 46 -8.486 21.453 9.529 1.00 0.00 C ATOM 714 C LEU A 46 -8.865 22.890 9.188 1.00 0.00 C ATOM 715 O LEU A 46 -9.618 23.139 8.246 1.00 0.00 O ATOM 716 CB LEU A 46 -9.305 20.968 10.727 1.00 0.00 C ATOM 717 CG LEU A 46 -8.575 20.057 11.714 1.00 0.00 C ATOM 718 CD1 LEU A 46 -9.461 19.747 12.910 1.00 0.00 C ATOM 719 CD2 LEU A 46 -8.134 18.772 11.027 1.00 0.00 C ATOM 0 H LEU A 46 -6.807 21.546 10.781 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.708 20.824 8.667 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.669 21.840 11.270 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.180 20.437 10.352 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.687 20.578 12.072 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.924 19.097 13.602 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.727 20.675 13.416 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.368 19.246 12.571 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.616 18.135 11.744 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.008 18.247 10.641 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.462 19.012 10.203 1.00 0.00 H new ATOM 731 N LYS A 47 -8.335 23.835 9.958 1.00 0.00 N ATOM 732 CA LYS A 47 -8.614 25.249 9.736 1.00 0.00 C ATOM 733 C LYS A 47 -8.529 25.594 8.253 1.00 0.00 C ATOM 734 O LYS A 47 -9.527 25.966 7.636 1.00 0.00 O ATOM 735 CB LYS A 47 -7.631 26.114 10.529 1.00 0.00 C ATOM 736 CG LYS A 47 -7.430 25.649 11.961 1.00 0.00 C ATOM 737 CD LYS A 47 -7.594 26.794 12.946 1.00 0.00 C ATOM 738 CE LYS A 47 -6.250 27.387 13.340 1.00 0.00 C ATOM 739 NZ LYS A 47 -6.364 28.282 14.525 1.00 0.00 N ATOM 0 H LYS A 47 -7.710 23.647 10.742 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.628 25.452 10.081 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.668 26.116 10.018 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.990 27.143 10.537 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -8.148 24.862 12.193 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.436 25.215 12.068 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -8.219 27.569 12.503 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -8.111 26.438 13.837 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.548 26.582 13.559 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.840 27.947 12.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.427 28.666 14.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.014 29.064 14.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.731 27.742 15.334 1.00 0.00 H new ATOM 753 N GLN A 48 -7.333 25.467 7.687 1.00 0.00 N ATOM 754 CA GLN A 48 -7.120 25.765 6.276 1.00 0.00 C ATOM 755 C GLN A 48 -6.996 24.482 5.461 1.00 0.00 C ATOM 756 O GLN A 48 -7.288 23.391 5.953 1.00 0.00 O ATOM 757 CB GLN A 48 -5.864 26.620 6.098 1.00 0.00 C ATOM 758 CG GLN A 48 -5.781 27.789 7.066 1.00 0.00 C ATOM 759 CD GLN A 48 -4.675 28.763 6.711 1.00 0.00 C ATOM 760 OE1 GLN A 48 -3.492 28.467 6.883 1.00 0.00 O ATOM 761 NE2 GLN A 48 -5.055 29.934 6.212 1.00 0.00 N ATOM 0 H GLN A 48 -6.497 25.160 8.184 1.00 0.00 H new ATOM 0 HA GLN A 48 -7.984 26.321 5.914 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.984 25.989 6.227 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.836 27.002 5.077 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.735 28.316 7.076 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.616 27.410 8.075 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.047 30.137 6.086 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -4.355 30.630 5.954 1.00 0.00 H new ATOM 770 N LEU A 49 -6.562 24.619 4.213 1.00 0.00 N ATOM 771 CA LEU A 49 -6.400 23.470 3.329 1.00 0.00 C ATOM 772 C LEU A 49 -4.929 23.246 2.992 1.00 0.00 C ATOM 773 O LEU A 49 -4.476 23.567 1.893 1.00 0.00 O ATOM 774 CB LEU A 49 -7.204 23.673 2.044 1.00 0.00 C ATOM 775 CG LEU A 49 -8.680 24.030 2.225 1.00 0.00 C ATOM 776 CD1 LEU A 49 -9.314 23.151 3.291 1.00 0.00 C ATOM 777 CD2 LEU A 49 -8.833 25.501 2.582 1.00 0.00 C ATOM 0 H LEU A 49 -6.316 25.514 3.790 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.774 22.587 3.848 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -6.728 24.463 1.463 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.142 22.760 1.452 1.00 0.00 H new ATOM 0 HG LEU A 49 -9.196 23.851 1.282 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -10.364 23.419 3.406 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -9.237 22.105 2.993 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.796 23.298 4.239 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -9.890 25.737 2.707 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.303 25.707 3.512 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.416 26.115 1.783 1.00 0.00 H new ATOM 789 N LYS A 50 -4.187 22.691 3.945 1.00 0.00 N ATOM 790 CA LYS A 50 -2.768 22.419 3.749 1.00 0.00 C ATOM 791 C LYS A 50 -2.392 21.053 4.315 1.00 0.00 C ATOM 792 O LYS A 50 -3.117 20.489 5.135 1.00 0.00 O ATOM 793 CB LYS A 50 -1.923 23.508 4.414 1.00 0.00 C ATOM 794 CG LYS A 50 -1.974 23.476 5.932 1.00 0.00 C ATOM 795 CD LYS A 50 -0.846 22.638 6.510 1.00 0.00 C ATOM 796 CE LYS A 50 0.183 23.504 7.221 1.00 0.00 C ATOM 797 NZ LYS A 50 -0.427 24.299 8.322 1.00 0.00 N ATOM 0 H LYS A 50 -4.545 22.421 4.861 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.569 22.416 2.677 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.887 23.400 4.091 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.265 24.483 4.068 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.909 24.492 6.321 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.933 23.071 6.256 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.255 21.908 7.209 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.361 22.077 5.711 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.973 22.871 7.625 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.650 24.178 6.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.275 24.443 9.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.735 25.222 7.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.247 23.788 8.706 1.00 0.00 H new ATOM 811 N VAL A 51 -1.255 20.527 3.873 1.00 0.00 N ATOM 812 CA VAL A 51 -0.782 19.229 4.338 1.00 0.00 C ATOM 813 C VAL A 51 0.740 19.198 4.428 1.00 0.00 C ATOM 814 O VAL A 51 1.435 19.707 3.548 1.00 0.00 O ATOM 815 CB VAL A 51 -1.252 18.094 3.408 1.00 0.00 C ATOM 816 CG1 VAL A 51 -0.465 16.821 3.677 1.00 0.00 C ATOM 817 CG2 VAL A 51 -2.745 17.854 3.575 1.00 0.00 C ATOM 0 H VAL A 51 -0.644 20.980 3.193 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.206 19.076 5.331 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.068 18.393 2.376 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.812 16.031 3.010 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.595 17.005 3.502 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.614 16.513 4.712 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.061 17.049 2.911 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.956 17.576 4.608 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.290 18.765 3.326 1.00 0.00 H new ATOM 827 N ASP A 52 1.251 18.598 5.497 1.00 0.00 N ATOM 828 CA ASP A 52 2.692 18.500 5.703 1.00 0.00 C ATOM 829 C ASP A 52 3.082 17.094 6.149 1.00 0.00 C ATOM 830 O ASP A 52 2.247 16.334 6.639 1.00 0.00 O ATOM 831 CB ASP A 52 3.151 19.524 6.742 1.00 0.00 C ATOM 832 CG ASP A 52 2.239 20.732 6.806 1.00 0.00 C ATOM 833 OD1 ASP A 52 1.126 20.607 7.359 1.00 0.00 O ATOM 834 OD2 ASP A 52 2.638 21.804 6.305 1.00 0.00 O ATOM 0 H ASP A 52 0.690 18.172 6.234 1.00 0.00 H new ATOM 0 HA ASP A 52 3.185 18.711 4.754 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.190 19.050 7.723 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.164 19.849 6.504 1.00 0.00 H new ATOM 839 N GLN A 53 4.355 16.755 5.974 1.00 0.00 N ATOM 840 CA GLN A 53 4.855 15.440 6.357 1.00 0.00 C ATOM 841 C GLN A 53 5.737 15.533 7.598 1.00 0.00 C ATOM 842 O GLN A 53 6.552 16.445 7.726 1.00 0.00 O ATOM 843 CB GLN A 53 5.641 14.814 5.204 1.00 0.00 C ATOM 844 CG GLN A 53 5.694 13.296 5.256 1.00 0.00 C ATOM 845 CD GLN A 53 6.207 12.685 3.967 1.00 0.00 C ATOM 846 OE1 GLN A 53 6.301 13.359 2.941 1.00 0.00 O ATOM 847 NE2 GLN A 53 6.542 11.400 4.013 1.00 0.00 N ATOM 0 H GLN A 53 5.059 17.373 5.570 1.00 0.00 H new ATOM 0 HA GLN A 53 3.998 14.807 6.589 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.191 15.121 4.260 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.658 15.205 5.214 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.336 12.987 6.081 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.697 12.908 5.466 1.00 0.00 H new ATOM 0 HE21 GLN A 53 6.448 10.879 4.885 1.00 0.00 H new ATOM 0 HE22 GLN A 53 6.893 10.934 3.176 1.00 0.00 H new ATOM 856 N GLY A 54 5.567 14.581 8.511 1.00 0.00 N ATOM 857 CA GLY A 54 6.354 14.574 9.730 1.00 0.00 C ATOM 858 C GLY A 54 5.502 14.748 10.971 1.00 0.00 C ATOM 859 O GLY A 54 4.315 14.421 10.970 1.00 0.00 O ATOM 0 H GLY A 54 4.899 13.815 8.428 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.903 13.635 9.799 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.094 15.373 9.686 1.00 0.00 H new ATOM 863 N VAL A 55 6.108 15.265 12.036 1.00 0.00 N ATOM 864 CA VAL A 55 5.396 15.481 13.290 1.00 0.00 C ATOM 865 C VAL A 55 5.213 16.969 13.568 1.00 0.00 C ATOM 866 O VAL A 55 6.185 17.720 13.654 1.00 0.00 O ATOM 867 CB VAL A 55 6.140 14.837 14.475 1.00 0.00 C ATOM 868 CG1 VAL A 55 5.517 15.268 15.795 1.00 0.00 C ATOM 869 CG2 VAL A 55 6.136 13.321 14.345 1.00 0.00 C ATOM 0 H VAL A 55 7.090 15.542 12.055 1.00 0.00 H new ATOM 0 HA VAL A 55 4.418 15.011 13.185 1.00 0.00 H new ATOM 0 HB VAL A 55 7.175 15.178 14.460 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.056 14.803 16.621 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.576 16.352 15.888 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.473 14.958 15.823 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.666 12.882 15.190 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.108 12.959 14.334 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.632 13.034 13.418 1.00 0.00 H new ATOM 879 N PHE A 56 3.960 17.389 13.707 1.00 0.00 N ATOM 880 CA PHE A 56 3.648 18.788 13.975 1.00 0.00 C ATOM 881 C PHE A 56 4.317 19.258 15.264 1.00 0.00 C ATOM 882 O PHE A 56 4.478 18.486 16.209 1.00 0.00 O ATOM 883 CB PHE A 56 2.134 18.986 14.072 1.00 0.00 C ATOM 884 CG PHE A 56 1.694 20.396 13.797 1.00 0.00 C ATOM 885 CD1 PHE A 56 2.158 21.075 12.682 1.00 0.00 C ATOM 886 CD2 PHE A 56 0.818 21.042 14.654 1.00 0.00 C ATOM 887 CE1 PHE A 56 1.756 22.372 12.426 1.00 0.00 C ATOM 888 CE2 PHE A 56 0.412 22.339 14.403 1.00 0.00 C ATOM 889 CZ PHE A 56 0.882 23.005 13.288 1.00 0.00 C ATOM 0 H PHE A 56 3.144 16.781 13.638 1.00 0.00 H new ATOM 0 HA PHE A 56 4.033 19.384 13.148 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.642 18.316 13.366 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.801 18.698 15.069 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.842 20.585 12.005 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.448 20.526 15.528 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.125 22.890 11.553 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.272 22.831 15.078 1.00 0.00 H new ATOM 0 HZ PHE A 56 0.567 24.019 13.091 1.00 0.00 H new ATOM 899 N ALA A 57 4.704 20.528 15.294 1.00 0.00 N ATOM 900 CA ALA A 57 5.354 21.102 16.466 1.00 0.00 C ATOM 901 C ALA A 57 4.460 20.993 17.697 1.00 0.00 C ATOM 902 O ALA A 57 4.947 20.945 18.827 1.00 0.00 O ATOM 903 CB ALA A 57 5.723 22.555 16.207 1.00 0.00 C ATOM 0 H ALA A 57 4.579 21.180 14.520 1.00 0.00 H new ATOM 0 HA ALA A 57 6.266 20.536 16.659 1.00 0.00 H new ATOM 0 HB1 ALA A 57 6.207 22.970 17.091 1.00 0.00 H new ATOM 0 HB2 ALA A 57 6.405 22.611 15.359 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.821 23.126 15.986 1.00 0.00 H new ATOM 909 N SER A 58 3.151 20.955 17.471 1.00 0.00 N ATOM 910 CA SER A 58 2.189 20.856 18.562 1.00 0.00 C ATOM 911 C SER A 58 0.790 20.565 18.029 1.00 0.00 C ATOM 912 O SER A 58 -0.073 21.441 17.968 1.00 0.00 O ATOM 913 CB SER A 58 2.178 22.150 19.379 1.00 0.00 C ATOM 914 OG SER A 58 1.640 21.933 20.672 1.00 0.00 O ATOM 0 H SER A 58 2.732 20.991 16.542 1.00 0.00 H new ATOM 0 HA SER A 58 2.491 20.030 19.206 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.193 22.538 19.465 1.00 0.00 H new ATOM 0 HB3 SER A 58 1.590 22.907 18.859 1.00 0.00 H new ATOM 0 HG SER A 58 1.646 22.775 21.174 1.00 0.00 H new ATOM 920 N PRO A 59 0.558 19.305 17.633 1.00 0.00 N ATOM 921 CA PRO A 59 -0.735 18.868 17.098 1.00 0.00 C ATOM 922 C PRO A 59 -1.823 18.837 18.166 1.00 0.00 C ATOM 923 O PRO A 59 -1.532 18.792 19.361 1.00 0.00 O ATOM 924 CB PRO A 59 -0.447 17.455 16.586 1.00 0.00 C ATOM 925 CG PRO A 59 0.712 16.986 17.396 1.00 0.00 C ATOM 926 CD PRO A 59 1.541 18.209 17.678 1.00 0.00 C ATOM 0 HA PRO A 59 -1.109 19.546 16.331 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -1.311 16.803 16.717 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -0.210 17.460 15.522 1.00 0.00 H new ATOM 0 HG2 PRO A 59 0.377 16.519 18.322 1.00 0.00 H new ATOM 0 HG3 PRO A 59 1.291 16.239 16.853 1.00 0.00 H new ATOM 0 HD2 PRO A 59 2.030 18.148 18.650 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.326 18.343 16.934 1.00 0.00 H new ATOM 934 N ASP A 60 -3.077 18.859 17.726 1.00 0.00 N ATOM 935 CA ASP A 60 -4.209 18.832 18.645 1.00 0.00 C ATOM 936 C ASP A 60 -4.503 17.406 19.103 1.00 0.00 C ATOM 937 O ASP A 60 -4.848 17.174 20.261 1.00 0.00 O ATOM 938 CB ASP A 60 -5.448 19.432 17.979 1.00 0.00 C ATOM 939 CG ASP A 60 -5.193 20.820 17.426 1.00 0.00 C ATOM 940 OD1 ASP A 60 -5.862 21.772 17.880 1.00 0.00 O ATOM 941 OD2 ASP A 60 -4.323 20.955 16.540 1.00 0.00 O ATOM 0 H ASP A 60 -3.335 18.895 16.740 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.950 19.430 19.519 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.776 18.777 17.172 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -6.261 19.477 18.704 1.00 0.00 H new ATOM 946 N VAL A 61 -4.364 16.455 18.185 1.00 0.00 N ATOM 947 CA VAL A 61 -4.614 15.052 18.494 1.00 0.00 C ATOM 948 C VAL A 61 -3.664 14.142 17.724 1.00 0.00 C ATOM 949 O VAL A 61 -3.209 14.481 16.632 1.00 0.00 O ATOM 950 CB VAL A 61 -6.066 14.655 18.166 1.00 0.00 C ATOM 951 CG1 VAL A 61 -6.362 13.250 18.667 1.00 0.00 C ATOM 952 CG2 VAL A 61 -7.040 15.660 18.764 1.00 0.00 C ATOM 0 H VAL A 61 -4.080 16.630 17.221 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.444 14.928 19.564 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.191 14.662 17.083 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.392 12.987 18.426 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.686 12.543 18.187 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.221 13.212 19.747 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.061 15.365 18.523 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.916 15.687 19.847 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.841 16.649 18.351 1.00 0.00 H new ATOM 962 N THR A 62 -3.368 12.981 18.301 1.00 0.00 N ATOM 963 CA THR A 62 -2.471 12.021 17.670 1.00 0.00 C ATOM 964 C THR A 62 -3.203 10.730 17.325 1.00 0.00 C ATOM 965 O THR A 62 -3.503 9.920 18.202 1.00 0.00 O ATOM 966 CB THR A 62 -1.272 11.691 18.580 1.00 0.00 C ATOM 967 OG1 THR A 62 -0.869 12.859 19.303 1.00 0.00 O ATOM 968 CG2 THR A 62 -0.102 11.165 17.762 1.00 0.00 C ATOM 0 H THR A 62 -3.737 12.683 19.204 1.00 0.00 H new ATOM 0 HA THR A 62 -2.106 12.484 16.753 1.00 0.00 H new ATOM 0 HB THR A 62 -1.580 10.918 19.284 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.108 12.640 19.880 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.733 10.939 18.425 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.404 10.259 17.236 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.204 11.920 17.038 1.00 0.00 H new ATOM 976 N VAL A 63 -3.488 10.542 16.040 1.00 0.00 N ATOM 977 CA VAL A 63 -4.185 9.347 15.578 1.00 0.00 C ATOM 978 C VAL A 63 -3.209 8.340 14.979 1.00 0.00 C ATOM 979 O VAL A 63 -2.224 8.715 14.342 1.00 0.00 O ATOM 980 CB VAL A 63 -5.257 9.693 14.528 1.00 0.00 C ATOM 981 CG1 VAL A 63 -4.627 9.851 13.153 1.00 0.00 C ATOM 982 CG2 VAL A 63 -6.344 8.630 14.507 1.00 0.00 C ATOM 0 H VAL A 63 -3.247 11.202 15.301 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.670 8.906 16.449 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.715 10.643 14.802 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.400 10.095 12.424 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.889 10.652 13.181 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.140 8.919 12.867 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.093 8.890 13.759 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.904 7.664 14.258 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.815 8.572 15.488 1.00 0.00 H new ATOM 992 N THR A 64 -3.490 7.057 15.187 1.00 0.00 N ATOM 993 CA THR A 64 -2.638 5.995 14.669 1.00 0.00 C ATOM 994 C THR A 64 -3.428 5.039 13.782 1.00 0.00 C ATOM 995 O THR A 64 -4.512 4.587 14.151 1.00 0.00 O ATOM 996 CB THR A 64 -1.981 5.194 15.809 1.00 0.00 C ATOM 997 OG1 THR A 64 -1.695 6.060 16.914 1.00 0.00 O ATOM 998 CG2 THR A 64 -0.698 4.529 15.334 1.00 0.00 C ATOM 0 H THR A 64 -4.301 6.729 15.711 1.00 0.00 H new ATOM 0 HA THR A 64 -1.859 6.476 14.077 1.00 0.00 H new ATOM 0 HB THR A 64 -2.677 4.418 16.126 1.00 0.00 H new ATOM 0 HG1 THR A 64 -1.279 5.543 17.635 1.00 0.00 H new ATOM 0 HG21 THR A 64 -0.252 3.969 16.156 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.923 3.849 14.512 1.00 0.00 H new ATOM 0 HG23 THR A 64 0.002 5.291 14.993 1.00 0.00 H new ATOM 1006 N VAL A 65 -2.878 4.734 12.611 1.00 0.00 N ATOM 1007 CA VAL A 65 -3.532 3.830 11.672 1.00 0.00 C ATOM 1008 C VAL A 65 -2.507 3.076 10.832 1.00 0.00 C ATOM 1009 O VAL A 65 -1.411 3.572 10.578 1.00 0.00 O ATOM 1010 CB VAL A 65 -4.489 4.590 10.735 1.00 0.00 C ATOM 1011 CG1 VAL A 65 -3.746 5.689 9.990 1.00 0.00 C ATOM 1012 CG2 VAL A 65 -5.154 3.630 9.760 1.00 0.00 C ATOM 0 H VAL A 65 -1.981 5.099 12.290 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.106 3.118 12.265 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.268 5.056 11.339 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.438 6.215 9.333 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.321 6.392 10.707 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.945 5.249 9.396 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.827 4.184 9.106 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.391 3.134 9.160 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.721 2.883 10.315 1.00 0.00 H new ATOM 1022 N GLY A 66 -2.873 1.872 10.402 1.00 0.00 N ATOM 1023 CA GLY A 66 -1.975 1.068 9.594 1.00 0.00 C ATOM 1024 C GLY A 66 -1.935 1.520 8.148 1.00 0.00 C ATOM 1025 O GLY A 66 -2.886 2.125 7.652 1.00 0.00 O ATOM 0 H GLY A 66 -3.775 1.439 10.599 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.971 1.117 10.015 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.288 0.025 9.637 1.00 0.00 H new ATOM 1029 N LEU A 67 -0.831 1.228 7.469 1.00 0.00 N ATOM 1030 CA LEU A 67 -0.669 1.610 6.070 1.00 0.00 C ATOM 1031 C LEU A 67 -1.677 0.881 5.187 1.00 0.00 C ATOM 1032 O LEU A 67 -2.169 1.435 4.205 1.00 0.00 O ATOM 1033 CB LEU A 67 0.754 1.305 5.599 1.00 0.00 C ATOM 1034 CG LEU A 67 1.053 -0.158 5.270 1.00 0.00 C ATOM 1035 CD1 LEU A 67 2.345 -0.274 4.476 1.00 0.00 C ATOM 1036 CD2 LEU A 67 1.132 -0.986 6.544 1.00 0.00 C ATOM 0 H LEU A 67 -0.035 0.728 7.864 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.850 2.682 5.988 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.958 1.905 4.712 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.449 1.632 6.372 1.00 0.00 H new ATOM 0 HG LEU A 67 0.239 -0.546 4.658 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.541 -1.322 4.251 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.251 0.285 3.545 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.170 0.132 5.062 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.345 -2.024 6.290 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.926 -0.598 7.182 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.181 -0.930 7.074 1.00 0.00 H new ATOM 1048 N GLU A 68 -1.979 -0.363 5.545 1.00 0.00 N ATOM 1049 CA GLU A 68 -2.930 -1.166 4.785 1.00 0.00 C ATOM 1050 C GLU A 68 -4.355 -0.659 4.987 1.00 0.00 C ATOM 1051 O GLU A 68 -5.137 -0.578 4.040 1.00 0.00 O ATOM 1052 CB GLU A 68 -2.836 -2.636 5.199 1.00 0.00 C ATOM 1053 CG GLU A 68 -1.449 -3.231 5.022 1.00 0.00 C ATOM 1054 CD GLU A 68 -1.240 -3.823 3.642 1.00 0.00 C ATOM 1055 OE1 GLU A 68 -0.488 -4.814 3.530 1.00 0.00 O ATOM 1056 OE2 GLU A 68 -1.829 -3.297 2.675 1.00 0.00 O ATOM 0 H GLU A 68 -1.579 -0.836 6.355 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.678 -1.077 3.728 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.132 -2.730 6.244 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.549 -3.216 4.613 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.701 -2.458 5.199 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.291 -4.005 5.773 1.00 0.00 H new ATOM 1063 N ASP A 69 -4.685 -0.321 6.229 1.00 0.00 N ATOM 1064 CA ASP A 69 -6.015 0.179 6.557 1.00 0.00 C ATOM 1065 C ASP A 69 -6.327 1.450 5.773 1.00 0.00 C ATOM 1066 O ASP A 69 -7.350 1.536 5.094 1.00 0.00 O ATOM 1067 CB ASP A 69 -6.125 0.451 8.058 1.00 0.00 C ATOM 1068 CG ASP A 69 -5.457 -0.625 8.892 1.00 0.00 C ATOM 1069 OD1 ASP A 69 -4.872 -0.285 9.942 1.00 0.00 O ATOM 1070 OD2 ASP A 69 -5.519 -1.807 8.495 1.00 0.00 O ATOM 0 H ASP A 69 -4.050 -0.384 7.025 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.742 -0.585 6.280 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -5.671 1.416 8.284 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.177 0.521 8.335 1.00 0.00 H new ATOM 1075 N MET A 70 -5.440 2.434 5.873 1.00 0.00 N ATOM 1076 CA MET A 70 -5.621 3.700 5.173 1.00 0.00 C ATOM 1077 C MET A 70 -5.703 3.481 3.666 1.00 0.00 C ATOM 1078 O MET A 70 -6.483 4.138 2.975 1.00 0.00 O ATOM 1079 CB MET A 70 -4.473 4.657 5.500 1.00 0.00 C ATOM 1080 CG MET A 70 -4.626 5.354 6.841 1.00 0.00 C ATOM 1081 SD MET A 70 -3.905 7.007 6.851 1.00 0.00 S ATOM 1082 CE MET A 70 -5.367 8.015 6.620 1.00 0.00 C ATOM 0 H MET A 70 -4.589 2.379 6.432 1.00 0.00 H new ATOM 0 HA MET A 70 -6.559 4.142 5.509 1.00 0.00 H new ATOM 0 HB2 MET A 70 -3.535 4.102 5.493 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.403 5.410 4.715 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.685 5.422 7.092 1.00 0.00 H new ATOM 0 HG3 MET A 70 -4.153 4.751 7.616 1.00 0.00 H new ATOM 0 HE1 MET A 70 -5.084 9.068 6.604 1.00 0.00 H new ATOM 0 HE2 MET A 70 -5.844 7.753 5.675 1.00 0.00 H new ATOM 0 HE3 MET A 70 -6.064 7.839 7.439 1.00 0.00 H new ATOM 1092 N LEU A 71 -4.894 2.556 3.162 1.00 0.00 N ATOM 1093 CA LEU A 71 -4.876 2.250 1.736 1.00 0.00 C ATOM 1094 C LEU A 71 -6.287 1.996 1.215 1.00 0.00 C ATOM 1095 O LEU A 71 -6.685 2.535 0.183 1.00 0.00 O ATOM 1096 CB LEU A 71 -3.993 1.030 1.467 1.00 0.00 C ATOM 1097 CG LEU A 71 -3.889 0.586 0.008 1.00 0.00 C ATOM 1098 CD1 LEU A 71 -3.679 1.786 -0.902 1.00 0.00 C ATOM 1099 CD2 LEU A 71 -2.759 -0.419 -0.164 1.00 0.00 C ATOM 0 H LEU A 71 -4.242 2.005 3.720 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.465 3.112 1.210 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.989 1.245 1.833 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.374 0.194 2.054 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.825 0.103 -0.272 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.607 1.450 -1.936 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.521 2.471 -0.801 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.758 2.298 -0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.699 -0.724 -1.209 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.816 0.039 0.135 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.951 -1.293 0.459 1.00 0.00 H new ATOM 1111 N ALA A 72 -7.039 1.172 1.938 1.00 0.00 N ATOM 1112 CA ALA A 72 -8.407 0.850 1.551 1.00 0.00 C ATOM 1113 C ALA A 72 -9.287 2.095 1.556 1.00 0.00 C ATOM 1114 O ALA A 72 -10.233 2.201 0.775 1.00 0.00 O ATOM 1115 CB ALA A 72 -8.982 -0.209 2.480 1.00 0.00 C ATOM 0 H ALA A 72 -6.724 0.716 2.794 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.388 0.455 0.535 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -10.004 -0.440 2.180 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.374 -1.112 2.423 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.980 0.165 3.504 1.00 0.00 H new ATOM 1121 N ILE A 73 -8.969 3.035 2.440 1.00 0.00 N ATOM 1122 CA ILE A 73 -9.732 4.273 2.545 1.00 0.00 C ATOM 1123 C ILE A 73 -9.367 5.240 1.424 1.00 0.00 C ATOM 1124 O ILE A 73 -10.205 5.588 0.593 1.00 0.00 O ATOM 1125 CB ILE A 73 -9.497 4.964 3.901 1.00 0.00 C ATOM 1126 CG1 ILE A 73 -9.575 3.944 5.039 1.00 0.00 C ATOM 1127 CG2 ILE A 73 -10.513 6.077 4.111 1.00 0.00 C ATOM 1128 CD1 ILE A 73 -9.226 4.521 6.393 1.00 0.00 C ATOM 0 H ILE A 73 -8.189 2.963 3.093 1.00 0.00 H new ATOM 0 HA ILE A 73 -10.785 4.004 2.461 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.499 5.403 3.900 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -10.583 3.532 5.078 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.900 3.116 4.821 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -10.334 6.556 5.074 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -10.414 6.815 3.315 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -11.519 5.659 4.095 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -9.303 3.742 7.151 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.207 4.908 6.372 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -9.916 5.330 6.633 1.00 0.00 H new ATOM 1140 N SER A 74 -8.109 5.669 1.406 1.00 0.00 N ATOM 1141 CA SER A 74 -7.632 6.598 0.388 1.00 0.00 C ATOM 1142 C SER A 74 -7.877 6.042 -1.011 1.00 0.00 C ATOM 1143 O SER A 74 -8.044 6.795 -1.970 1.00 0.00 O ATOM 1144 CB SER A 74 -6.142 6.881 0.583 1.00 0.00 C ATOM 1145 OG SER A 74 -5.348 5.928 -0.102 1.00 0.00 O ATOM 0 H SER A 74 -7.402 5.388 2.085 1.00 0.00 H new ATOM 0 HA SER A 74 -8.188 7.530 0.493 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.908 7.882 0.220 1.00 0.00 H new ATOM 0 HB3 SER A 74 -5.901 6.863 1.646 1.00 0.00 H new ATOM 0 HG SER A 74 -5.543 5.032 0.243 1.00 0.00 H new ATOM 1151 N GLY A 75 -7.896 4.717 -1.120 1.00 0.00 N ATOM 1152 CA GLY A 75 -8.121 4.081 -2.405 1.00 0.00 C ATOM 1153 C GLY A 75 -9.588 4.038 -2.783 1.00 0.00 C ATOM 1154 O GLY A 75 -9.955 3.482 -3.818 1.00 0.00 O ATOM 0 H GLY A 75 -7.760 4.073 -0.341 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.567 4.618 -3.175 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -7.726 3.065 -2.378 1.00 0.00 H new ATOM 1158 N LYS A 76 -10.431 4.626 -1.940 1.00 0.00 N ATOM 1159 CA LYS A 76 -11.868 4.653 -2.189 1.00 0.00 C ATOM 1160 C LYS A 76 -12.450 3.243 -2.168 1.00 0.00 C ATOM 1161 O LYS A 76 -13.072 2.802 -3.135 1.00 0.00 O ATOM 1162 CB LYS A 76 -12.160 5.317 -3.537 1.00 0.00 C ATOM 1163 CG LYS A 76 -13.495 6.041 -3.581 1.00 0.00 C ATOM 1164 CD LYS A 76 -14.092 6.025 -4.978 1.00 0.00 C ATOM 1165 CE LYS A 76 -15.097 7.151 -5.167 1.00 0.00 C ATOM 1166 NZ LYS A 76 -15.948 6.938 -6.371 1.00 0.00 N ATOM 0 H LYS A 76 -10.144 5.090 -1.078 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.339 5.233 -1.395 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.364 6.026 -3.763 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.142 4.557 -4.318 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -14.188 5.571 -2.883 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -13.362 7.072 -3.253 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -13.296 6.119 -5.716 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -14.580 5.067 -5.155 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -15.730 7.225 -4.283 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -14.567 8.099 -5.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -16.620 7.726 -6.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -15.346 6.893 -7.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -16.473 6.046 -6.272 1.00 0.00 H new ATOM 1180 N THR A 77 -12.247 2.540 -1.058 1.00 0.00 N ATOM 1181 CA THR A 77 -12.752 1.181 -0.911 1.00 0.00 C ATOM 1182 C THR A 77 -13.459 0.999 0.427 1.00 0.00 C ATOM 1183 O THR A 77 -14.649 0.685 0.474 1.00 0.00 O ATOM 1184 CB THR A 77 -11.617 0.145 -1.024 1.00 0.00 C ATOM 1185 OG1 THR A 77 -10.837 0.399 -2.197 1.00 0.00 O ATOM 1186 CG2 THR A 77 -12.178 -1.268 -1.078 1.00 0.00 C ATOM 0 H THR A 77 -11.736 2.890 -0.247 1.00 0.00 H new ATOM 0 HA THR A 77 -13.464 1.019 -1.720 1.00 0.00 H new ATOM 0 HB THR A 77 -10.984 0.234 -0.141 1.00 0.00 H new ATOM 0 HG1 THR A 77 -10.117 -0.263 -2.261 1.00 0.00 H new ATOM 0 HG21 THR A 77 -11.358 -1.982 -1.158 1.00 0.00 H new ATOM 0 HG22 THR A 77 -12.747 -1.469 -0.170 1.00 0.00 H new ATOM 0 HG23 THR A 77 -12.831 -1.367 -1.945 1.00 0.00 H new ATOM 1194 N LEU A 78 -12.721 1.198 1.513 1.00 0.00 N ATOM 1195 CA LEU A 78 -13.279 1.057 2.854 1.00 0.00 C ATOM 1196 C LEU A 78 -13.801 2.394 3.370 1.00 0.00 C ATOM 1197 O LEU A 78 -13.561 3.441 2.769 1.00 0.00 O ATOM 1198 CB LEU A 78 -12.221 0.506 3.812 1.00 0.00 C ATOM 1199 CG LEU A 78 -12.367 -0.966 4.198 1.00 0.00 C ATOM 1200 CD1 LEU A 78 -11.118 -1.458 4.912 1.00 0.00 C ATOM 1201 CD2 LEU A 78 -13.597 -1.169 5.071 1.00 0.00 C ATOM 0 H LEU A 78 -11.735 1.457 1.492 1.00 0.00 H new ATOM 0 HA LEU A 78 -14.114 0.358 2.802 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -11.240 0.646 3.358 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.239 1.103 4.724 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.492 -1.550 3.286 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -11.241 -2.508 5.179 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -10.256 -1.350 4.254 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -10.960 -0.870 5.816 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -13.685 -2.223 5.336 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -13.501 -0.573 5.979 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -14.487 -0.857 4.524 1.00 0.00 H new ATOM 1213 N THR A 79 -14.517 2.351 4.490 1.00 0.00 N ATOM 1214 CA THR A 79 -15.073 3.558 5.088 1.00 0.00 C ATOM 1215 C THR A 79 -14.641 3.700 6.543 1.00 0.00 C ATOM 1216 O THR A 79 -14.304 2.715 7.200 1.00 0.00 O ATOM 1217 CB THR A 79 -16.612 3.562 5.018 1.00 0.00 C ATOM 1218 OG1 THR A 79 -17.146 2.596 5.931 1.00 0.00 O ATOM 1219 CG2 THR A 79 -17.091 3.252 3.608 1.00 0.00 C ATOM 0 H THR A 79 -14.725 1.493 5.001 1.00 0.00 H new ATOM 0 HA THR A 79 -14.689 4.401 4.514 1.00 0.00 H new ATOM 0 HB THR A 79 -16.963 4.556 5.294 1.00 0.00 H new ATOM 0 HG1 THR A 79 -18.125 2.606 5.882 1.00 0.00 H new ATOM 0 HG21 THR A 79 -18.181 3.260 3.584 1.00 0.00 H new ATOM 0 HG22 THR A 79 -16.707 4.005 2.920 1.00 0.00 H new ATOM 0 HG23 THR A 79 -16.729 2.268 3.309 1.00 0.00 H new ATOM 1227 N VAL A 80 -14.654 4.932 7.041 1.00 0.00 N ATOM 1228 CA VAL A 80 -14.265 5.203 8.420 1.00 0.00 C ATOM 1229 C VAL A 80 -15.013 4.296 9.390 1.00 0.00 C ATOM 1230 O VAL A 80 -14.417 3.708 10.292 1.00 0.00 O ATOM 1231 CB VAL A 80 -14.530 6.672 8.800 1.00 0.00 C ATOM 1232 CG1 VAL A 80 -14.312 6.886 10.290 1.00 0.00 C ATOM 1233 CG2 VAL A 80 -13.643 7.601 7.984 1.00 0.00 C ATOM 0 H VAL A 80 -14.930 5.758 6.510 1.00 0.00 H new ATOM 0 HA VAL A 80 -13.196 5.004 8.492 1.00 0.00 H new ATOM 0 HB VAL A 80 -15.570 6.906 8.572 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -14.504 7.930 10.540 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -14.993 6.247 10.853 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -13.283 6.635 10.547 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.843 8.635 8.265 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -12.596 7.368 8.179 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -13.854 7.466 6.923 1.00 0.00 H new ATOM 1243 N GLY A 81 -16.324 4.185 9.198 1.00 0.00 N ATOM 1244 CA GLY A 81 -17.133 3.347 10.063 1.00 0.00 C ATOM 1245 C GLY A 81 -16.600 1.932 10.163 1.00 0.00 C ATOM 1246 O GLY A 81 -16.547 1.356 11.250 1.00 0.00 O ATOM 0 H GLY A 81 -16.840 4.661 8.458 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -17.172 3.789 11.059 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -18.155 3.321 9.686 1.00 0.00 H new ATOM 1250 N ASP A 82 -16.206 1.369 9.026 1.00 0.00 N ATOM 1251 CA ASP A 82 -15.676 0.011 8.989 1.00 0.00 C ATOM 1252 C ASP A 82 -14.387 -0.091 9.798 1.00 0.00 C ATOM 1253 O ASP A 82 -14.272 -0.922 10.698 1.00 0.00 O ATOM 1254 CB ASP A 82 -15.421 -0.421 7.544 1.00 0.00 C ATOM 1255 CG ASP A 82 -16.323 -1.560 7.112 1.00 0.00 C ATOM 1256 OD1 ASP A 82 -17.248 -1.314 6.310 1.00 0.00 O ATOM 1257 OD2 ASP A 82 -16.103 -2.699 7.575 1.00 0.00 O ATOM 0 H ASP A 82 -16.244 1.832 8.118 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.417 -0.654 9.433 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -15.574 0.431 6.881 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -14.380 -0.726 7.437 1.00 0.00 H new ATOM 1262 N ALA A 83 -13.419 0.759 9.470 1.00 0.00 N ATOM 1263 CA ALA A 83 -12.139 0.765 10.167 1.00 0.00 C ATOM 1264 C ALA A 83 -12.328 1.011 11.660 1.00 0.00 C ATOM 1265 O ALA A 83 -11.578 0.488 12.486 1.00 0.00 O ATOM 1266 CB ALA A 83 -11.218 1.818 9.569 1.00 0.00 C ATOM 0 H ALA A 83 -13.497 1.452 8.726 1.00 0.00 H new ATOM 0 HA ALA A 83 -11.681 -0.216 10.042 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -10.266 1.812 10.099 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -11.048 1.597 8.515 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -11.679 2.801 9.664 1.00 0.00 H new ATOM 1272 N LEU A 84 -13.333 1.810 12.001 1.00 0.00 N ATOM 1273 CA LEU A 84 -13.620 2.126 13.396 1.00 0.00 C ATOM 1274 C LEU A 84 -14.139 0.898 14.137 1.00 0.00 C ATOM 1275 O LEU A 84 -13.658 0.563 15.220 1.00 0.00 O ATOM 1276 CB LEU A 84 -14.644 3.259 13.482 1.00 0.00 C ATOM 1277 CG LEU A 84 -14.498 4.207 14.673 1.00 0.00 C ATOM 1278 CD1 LEU A 84 -13.128 4.866 14.665 1.00 0.00 C ATOM 1279 CD2 LEU A 84 -15.598 5.258 14.656 1.00 0.00 C ATOM 0 H LEU A 84 -13.963 2.251 11.331 1.00 0.00 H new ATOM 0 HA LEU A 84 -12.692 2.447 13.869 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -14.584 3.847 12.566 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -15.641 2.819 13.513 1.00 0.00 H new ATOM 0 HG LEU A 84 -14.593 3.625 15.590 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -13.042 5.537 15.520 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.355 4.100 14.726 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -13.003 5.434 13.743 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -15.478 5.924 15.511 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -15.535 5.836 13.734 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -16.570 4.768 14.711 1.00 0.00 H new ATOM 1291 N LYS A 85 -15.122 0.228 13.545 1.00 0.00 N ATOM 1292 CA LYS A 85 -15.705 -0.966 14.145 1.00 0.00 C ATOM 1293 C LYS A 85 -14.653 -2.057 14.319 1.00 0.00 C ATOM 1294 O LYS A 85 -14.636 -2.759 15.330 1.00 0.00 O ATOM 1295 CB LYS A 85 -16.857 -1.486 13.282 1.00 0.00 C ATOM 1296 CG LYS A 85 -18.186 -0.811 13.571 1.00 0.00 C ATOM 1297 CD LYS A 85 -19.295 -1.829 13.779 1.00 0.00 C ATOM 1298 CE LYS A 85 -19.129 -2.573 15.096 1.00 0.00 C ATOM 1299 NZ LYS A 85 -20.378 -2.552 15.906 1.00 0.00 N ATOM 0 H LYS A 85 -15.532 0.492 12.649 1.00 0.00 H new ATOM 0 HA LYS A 85 -16.090 -0.697 15.129 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -16.607 -1.341 12.231 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -16.962 -2.559 13.440 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -18.092 -0.187 14.460 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -18.447 -0.151 12.744 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -20.261 -1.324 13.764 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -19.295 -2.542 12.955 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -18.843 -3.606 14.896 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -18.318 -2.123 15.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -20.224 -3.069 16.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -20.637 -1.568 16.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -21.146 -3.005 15.371 1.00 0.00 H new ATOM 1313 N GLN A 86 -13.778 -2.191 13.328 1.00 0.00 N ATOM 1314 CA GLN A 86 -12.722 -3.197 13.373 1.00 0.00 C ATOM 1315 C GLN A 86 -11.617 -2.783 14.340 1.00 0.00 C ATOM 1316 O GLN A 86 -11.078 -3.611 15.072 1.00 0.00 O ATOM 1317 CB GLN A 86 -12.139 -3.417 11.976 1.00 0.00 C ATOM 1318 CG GLN A 86 -13.156 -3.915 10.963 1.00 0.00 C ATOM 1319 CD GLN A 86 -12.534 -4.232 9.618 1.00 0.00 C ATOM 1320 OE1 GLN A 86 -11.329 -4.469 9.519 1.00 0.00 O ATOM 1321 NE2 GLN A 86 -13.353 -4.238 8.573 1.00 0.00 N ATOM 0 H GLN A 86 -13.779 -1.617 12.485 1.00 0.00 H new ATOM 0 HA GLN A 86 -13.158 -4.131 13.728 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.711 -2.480 11.618 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -11.322 -4.136 12.042 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -13.644 -4.808 11.353 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -13.931 -3.160 10.831 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -14.345 -4.036 8.701 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -12.991 -4.445 7.642 1.00 0.00 H new ATOM 1330 N GLY A 87 -11.285 -1.495 14.335 1.00 0.00 N ATOM 1331 CA GLY A 87 -10.245 -0.995 15.215 1.00 0.00 C ATOM 1332 C GLY A 87 -8.943 -0.733 14.484 1.00 0.00 C ATOM 1333 O GLY A 87 -7.861 -0.945 15.032 1.00 0.00 O ATOM 0 H GLY A 87 -11.717 -0.790 13.738 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -10.585 -0.073 15.687 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -10.071 -1.716 16.013 1.00 0.00 H new ATOM 1337 N LYS A 88 -9.046 -0.272 13.242 1.00 0.00 N ATOM 1338 CA LYS A 88 -7.868 0.019 12.434 1.00 0.00 C ATOM 1339 C LYS A 88 -7.227 1.336 12.860 1.00 0.00 C ATOM 1340 O LYS A 88 -6.007 1.490 12.801 1.00 0.00 O ATOM 1341 CB LYS A 88 -8.244 0.080 10.951 1.00 0.00 C ATOM 1342 CG LYS A 88 -9.137 -1.065 10.503 1.00 0.00 C ATOM 1343 CD LYS A 88 -8.464 -2.411 10.712 1.00 0.00 C ATOM 1344 CE LYS A 88 -8.959 -3.090 11.980 1.00 0.00 C ATOM 1345 NZ LYS A 88 -7.862 -3.287 12.967 1.00 0.00 N ATOM 0 H LYS A 88 -9.934 -0.092 12.773 1.00 0.00 H new ATOM 0 HA LYS A 88 -7.146 -0.783 12.588 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -8.750 1.024 10.752 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -7.333 0.075 10.353 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -10.074 -1.036 11.059 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -9.387 -0.942 9.449 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -8.659 -3.054 9.854 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -7.384 -2.274 10.769 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -9.749 -2.488 12.430 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -9.398 -4.055 11.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -8.187 -2.994 13.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -7.592 -4.291 12.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -7.039 -2.714 12.691 1.00 0.00 H new ATOM 1359 N ILE A 89 -8.057 2.280 13.291 1.00 0.00 N ATOM 1360 CA ILE A 89 -7.569 3.582 13.730 1.00 0.00 C ATOM 1361 C ILE A 89 -7.521 3.666 15.252 1.00 0.00 C ATOM 1362 O ILE A 89 -8.234 2.943 15.946 1.00 0.00 O ATOM 1363 CB ILE A 89 -8.451 4.724 13.191 1.00 0.00 C ATOM 1364 CG1 ILE A 89 -9.134 4.300 11.889 1.00 0.00 C ATOM 1365 CG2 ILE A 89 -7.619 5.979 12.975 1.00 0.00 C ATOM 1366 CD1 ILE A 89 -8.164 4.009 10.766 1.00 0.00 C ATOM 0 H ILE A 89 -9.069 2.168 13.346 1.00 0.00 H new ATOM 0 HA ILE A 89 -6.561 3.693 13.331 1.00 0.00 H new ATOM 0 HB ILE A 89 -9.223 4.946 13.928 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -9.737 3.412 12.077 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -9.817 5.088 11.573 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -8.256 6.777 12.594 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -7.176 6.289 13.921 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -6.828 5.771 12.255 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -8.717 3.714 9.874 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -7.578 4.902 10.551 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -7.496 3.200 11.062 1.00 0.00 H new ATOM 1378 N GLU A 90 -6.676 4.556 15.763 1.00 0.00 N ATOM 1379 CA GLU A 90 -6.536 4.736 17.203 1.00 0.00 C ATOM 1380 C GLU A 90 -6.449 6.217 17.561 1.00 0.00 C ATOM 1381 O GLU A 90 -5.856 7.010 16.829 1.00 0.00 O ATOM 1382 CB GLU A 90 -5.293 4.003 17.713 1.00 0.00 C ATOM 1383 CG GLU A 90 -5.099 4.107 19.216 1.00 0.00 C ATOM 1384 CD GLU A 90 -4.978 2.751 19.884 1.00 0.00 C ATOM 1385 OE1 GLU A 90 -5.959 1.979 19.840 1.00 0.00 O ATOM 1386 OE2 GLU A 90 -3.904 2.461 20.451 1.00 0.00 O ATOM 0 H GLU A 90 -6.079 5.163 15.202 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.420 4.315 17.683 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -5.363 2.951 17.436 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -4.413 4.407 17.213 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -4.202 4.691 19.423 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.940 4.648 19.650 1.00 0.00 H new ATOM 1393 N LEU A 91 -7.043 6.582 18.692 1.00 0.00 N ATOM 1394 CA LEU A 91 -7.034 7.968 19.148 1.00 0.00 C ATOM 1395 C LEU A 91 -6.315 8.095 20.487 1.00 0.00 C ATOM 1396 O LEU A 91 -6.271 7.148 21.272 1.00 0.00 O ATOM 1397 CB LEU A 91 -8.465 8.494 19.272 1.00 0.00 C ATOM 1398 CG LEU A 91 -9.509 7.491 19.765 1.00 0.00 C ATOM 1399 CD1 LEU A 91 -10.395 8.122 20.828 1.00 0.00 C ATOM 1400 CD2 LEU A 91 -10.348 6.980 18.603 1.00 0.00 C ATOM 0 H LEU A 91 -7.537 5.938 19.310 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.497 8.565 18.410 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -8.460 9.346 19.952 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.780 8.866 18.297 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.989 6.644 20.211 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -11.132 7.394 21.167 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -9.782 8.438 21.672 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -10.907 8.988 20.408 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -11.085 6.267 18.972 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -10.859 7.817 18.127 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -9.701 6.489 17.876 1.00 0.00 H new ATOM 1412 N SER A 92 -5.755 9.273 20.742 1.00 0.00 N ATOM 1413 CA SER A 92 -5.036 9.524 21.986 1.00 0.00 C ATOM 1414 C SER A 92 -4.604 10.985 22.078 1.00 0.00 C ATOM 1415 O SER A 92 -3.956 11.510 21.174 1.00 0.00 O ATOM 1416 CB SER A 92 -3.813 8.611 22.086 1.00 0.00 C ATOM 1417 OG SER A 92 -3.143 8.789 23.322 1.00 0.00 O ATOM 0 H SER A 92 -5.785 10.068 20.104 1.00 0.00 H new ATOM 0 HA SER A 92 -5.709 9.309 22.816 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.122 7.571 21.983 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.129 8.823 21.264 1.00 0.00 H new ATOM 0 HG SER A 92 -2.366 8.193 23.362 1.00 0.00 H new ATOM 1423 N GLY A 93 -4.969 11.635 23.179 1.00 0.00 N ATOM 1424 CA GLY A 93 -4.611 13.028 23.371 1.00 0.00 C ATOM 1425 C GLY A 93 -5.816 13.947 23.331 1.00 0.00 C ATOM 1426 O GLY A 93 -5.733 15.108 23.732 1.00 0.00 O ATOM 0 H GLY A 93 -5.506 11.222 23.941 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.104 13.141 24.329 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -3.903 13.328 22.598 1.00 0.00 H new ATOM 1430 N ASP A 94 -6.938 13.428 22.846 1.00 0.00 N ATOM 1431 CA ASP A 94 -8.166 14.209 22.755 1.00 0.00 C ATOM 1432 C ASP A 94 -9.285 13.391 22.118 1.00 0.00 C ATOM 1433 O ASP A 94 -9.321 13.212 20.901 1.00 0.00 O ATOM 1434 CB ASP A 94 -7.925 15.484 21.945 1.00 0.00 C ATOM 1435 CG ASP A 94 -8.466 16.720 22.636 1.00 0.00 C ATOM 1436 OD1 ASP A 94 -7.703 17.698 22.788 1.00 0.00 O ATOM 1437 OD2 ASP A 94 -9.653 16.710 23.025 1.00 0.00 O ATOM 0 H ASP A 94 -7.023 12.469 22.509 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.470 14.481 23.766 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -6.855 15.606 21.774 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -8.395 15.383 20.966 1.00 0.00 H new ATOM 1442 N ALA A 95 -10.197 12.897 22.949 1.00 0.00 N ATOM 1443 CA ALA A 95 -11.318 12.100 22.467 1.00 0.00 C ATOM 1444 C ALA A 95 -12.349 12.972 21.760 1.00 0.00 C ATOM 1445 O ALA A 95 -12.953 12.558 20.770 1.00 0.00 O ATOM 1446 CB ALA A 95 -11.963 11.346 23.620 1.00 0.00 C ATOM 0 H ALA A 95 -10.181 13.035 23.960 1.00 0.00 H new ATOM 0 HA ALA A 95 -10.935 11.379 21.745 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -12.799 10.755 23.246 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -11.228 10.685 24.079 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -12.325 12.057 24.362 1.00 0.00 H new ATOM 1452 N ASP A 96 -12.546 14.181 22.273 1.00 0.00 N ATOM 1453 CA ASP A 96 -13.504 15.113 21.690 1.00 0.00 C ATOM 1454 C ASP A 96 -13.104 15.484 20.266 1.00 0.00 C ATOM 1455 O ASP A 96 -13.882 15.311 19.326 1.00 0.00 O ATOM 1456 CB ASP A 96 -13.608 16.375 22.549 1.00 0.00 C ATOM 1457 CG ASP A 96 -15.039 16.699 22.930 1.00 0.00 C ATOM 1458 OD1 ASP A 96 -15.697 15.840 23.553 1.00 0.00 O ATOM 1459 OD2 ASP A 96 -15.501 17.813 22.605 1.00 0.00 O ATOM 0 H ASP A 96 -12.055 14.539 23.092 1.00 0.00 H new ATOM 0 HA ASP A 96 -14.477 14.623 21.659 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -13.015 16.245 23.454 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -13.180 17.217 22.005 1.00 0.00 H new ATOM 1464 N LEU A 97 -11.888 15.995 20.112 1.00 0.00 N ATOM 1465 CA LEU A 97 -11.384 16.391 18.802 1.00 0.00 C ATOM 1466 C LEU A 97 -11.431 15.222 17.824 1.00 0.00 C ATOM 1467 O LEU A 97 -12.042 15.314 16.759 1.00 0.00 O ATOM 1468 CB LEU A 97 -9.951 16.914 18.921 1.00 0.00 C ATOM 1469 CG LEU A 97 -9.788 18.434 18.908 1.00 0.00 C ATOM 1470 CD1 LEU A 97 -9.261 18.926 20.246 1.00 0.00 C ATOM 1471 CD2 LEU A 97 -8.862 18.861 17.778 1.00 0.00 C ATOM 0 H LEU A 97 -11.232 16.145 20.879 1.00 0.00 H new ATOM 0 HA LEU A 97 -12.024 17.186 18.420 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -9.521 16.531 19.846 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.365 16.499 18.101 1.00 0.00 H new ATOM 0 HG LEU A 97 -10.766 18.884 18.739 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -9.151 20.010 20.218 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -9.961 18.653 21.036 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -8.292 18.469 20.446 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -8.757 19.946 17.784 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -7.883 18.401 17.916 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -9.281 18.542 16.824 1.00 0.00 H new ATOM 1483 N ALA A 98 -10.784 14.121 18.193 1.00 0.00 N ATOM 1484 CA ALA A 98 -10.756 12.932 17.351 1.00 0.00 C ATOM 1485 C ALA A 98 -12.167 12.455 17.027 1.00 0.00 C ATOM 1486 O ALA A 98 -12.406 11.863 15.975 1.00 0.00 O ATOM 1487 CB ALA A 98 -9.965 11.823 18.029 1.00 0.00 C ATOM 0 H ALA A 98 -10.272 14.028 19.070 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.265 13.193 16.414 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -9.953 10.941 17.389 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -8.943 12.159 18.203 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -10.432 11.573 18.982 1.00 0.00 H new ATOM 1493 N ALA A 99 -13.099 12.717 17.938 1.00 0.00 N ATOM 1494 CA ALA A 99 -14.487 12.315 17.748 1.00 0.00 C ATOM 1495 C ALA A 99 -15.149 13.133 16.644 1.00 0.00 C ATOM 1496 O ALA A 99 -16.051 12.653 15.957 1.00 0.00 O ATOM 1497 CB ALA A 99 -15.261 12.458 19.050 1.00 0.00 C ATOM 0 H ALA A 99 -12.918 13.206 18.815 1.00 0.00 H new ATOM 0 HA ALA A 99 -14.498 11.268 17.445 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -16.296 12.154 18.893 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -14.809 11.825 19.814 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -15.233 13.497 19.377 1.00 0.00 H new ATOM 1503 N LYS A 100 -14.697 14.372 16.480 1.00 0.00 N ATOM 1504 CA LYS A 100 -15.245 15.258 15.460 1.00 0.00 C ATOM 1505 C LYS A 100 -15.042 14.673 14.066 1.00 0.00 C ATOM 1506 O LYS A 100 -15.888 14.834 13.185 1.00 0.00 O ATOM 1507 CB LYS A 100 -14.587 16.637 15.546 1.00 0.00 C ATOM 1508 CG LYS A 100 -14.609 17.235 16.942 1.00 0.00 C ATOM 1509 CD LYS A 100 -15.942 16.992 17.632 1.00 0.00 C ATOM 1510 CE LYS A 100 -16.323 18.157 18.533 1.00 0.00 C ATOM 1511 NZ LYS A 100 -15.270 18.439 19.549 1.00 0.00 N ATOM 0 H LYS A 100 -13.952 14.785 17.041 1.00 0.00 H new ATOM 0 HA LYS A 100 -16.315 15.361 15.640 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -13.553 16.559 15.210 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -15.095 17.316 14.861 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -13.806 16.801 17.537 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -14.419 18.307 16.883 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -16.719 16.841 16.882 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -15.886 16.077 18.222 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -16.489 19.047 17.926 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -17.264 17.934 19.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -15.694 18.433 20.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -14.531 17.709 19.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -14.850 19.372 19.363 1.00 0.00 H new ATOM 1525 N LEU A 101 -13.917 13.994 13.872 1.00 0.00 N ATOM 1526 CA LEU A 101 -13.604 13.383 12.585 1.00 0.00 C ATOM 1527 C LEU A 101 -14.390 12.090 12.390 1.00 0.00 C ATOM 1528 O LEU A 101 -14.775 11.749 11.272 1.00 0.00 O ATOM 1529 CB LEU A 101 -12.104 13.102 12.482 1.00 0.00 C ATOM 1530 CG LEU A 101 -11.635 12.420 11.197 1.00 0.00 C ATOM 1531 CD1 LEU A 101 -11.142 13.452 10.194 1.00 0.00 C ATOM 1532 CD2 LEU A 101 -10.543 11.404 11.499 1.00 0.00 C ATOM 0 H LEU A 101 -13.206 13.853 14.590 1.00 0.00 H new ATOM 0 HA LEU A 101 -13.891 14.083 11.800 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -11.570 14.047 12.584 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -11.813 12.479 13.327 1.00 0.00 H new ATOM 0 HG LEU A 101 -12.483 11.893 10.759 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -10.812 12.948 9.286 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -11.952 14.141 9.953 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -10.308 14.008 10.624 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -10.222 10.929 10.572 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -9.694 11.908 11.961 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -10.930 10.646 12.180 1.00 0.00 H new ATOM 1544 N ALA A 102 -14.625 11.376 13.486 1.00 0.00 N ATOM 1545 CA ALA A 102 -15.368 10.123 13.436 1.00 0.00 C ATOM 1546 C ALA A 102 -16.865 10.378 13.297 1.00 0.00 C ATOM 1547 O ALA A 102 -17.577 9.607 12.653 1.00 0.00 O ATOM 1548 CB ALA A 102 -15.086 9.292 14.679 1.00 0.00 C ATOM 0 H ALA A 102 -14.312 11.644 14.419 1.00 0.00 H new ATOM 0 HA ALA A 102 -15.037 9.568 12.558 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -15.647 8.359 14.628 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -14.020 9.071 14.735 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -15.388 9.849 15.566 1.00 0.00 H new