USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 706 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 62 SER OG : rot 144:sc= 0.685 USER MOD Set 1.2: A 71 SER OG : rot 129:sc= 0.94 USER MOD Set 2.1: A 17 SER OG : rot -160:sc= -1.08 USER MOD Set 2.2: A 56 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 51 GLN :FLIP amide:sc= -0.492 F(o=-3.1,f=-1.9) USER MOD Set 3.2: A 53 SER OG : rot -133:sc= -1.36 USER MOD Set 4.1: A 43 ASN :FLIP amide:sc= -5.76! C(o=-5.8!,f=-4.8!) USER MOD Set 4.2: A 58 THR OG1 : rot -160:sc= 0.976 USER MOD Set 5.1: A 7 THR OG1 : rot -150:sc= 0 USER MOD Set 5.2: A 93 ASN : amide:sc= -0.559 K(o=-0.56,f=-8.1!) USER MOD Single : A 10 ASN : amide:sc= -7.49! C(o=-7.5!,f=-16!) USER MOD Single : A 11 THR OG1 : rot 121:sc= -2.19 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= -1.3 K(o=-1.3,f=-7.7!) USER MOD Single : A 32 SER OG : rot 180:sc= -0.0622 USER MOD Single : A 33 THR OG1 : rot 72:sc= -0.751 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -3.17 K(o=-3.2,f=-11!) USER MOD Single : A 40 HIS : no HD1:sc= -6.88! C(o=-6.9!,f=-6.4!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -3.58! C(o=-3.6!,f=-5.8!) USER MOD Single : A 57 GLN : amide:sc=-0.00683 K(o=-0.0068,f=-1.3) USER MOD Single : A 60 TYR OH : rot -23:sc= 2.06 USER MOD Single : A 61 ASN : amide:sc= -0.626 K(o=-0.63,f=-3.7!) USER MOD Single : A 65 GLN : amide:sc= 0.183 X(o=0.18,f=0) USER MOD Single : A 67 SER OG : rot 99:sc= 1.26 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 144:sc= 0.786 USER MOD Single : A 77 ASN : amide:sc= -0.217 K(o=-0.22,f=-2.3!) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 82 THR OG1 : rot 47:sc= 0.913 USER MOD Single : A 83 SER OG : rot -130:sc= -0.844 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN :FLIP amide:sc= -4.68! C(o=-6.5!,f=-4.7!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 58 N PHE A 4 11.169 -5.318 -5.313 1.00 0.00 N ATOM 59 CA PHE A 4 12.107 -6.278 -5.900 1.00 0.00 C ATOM 60 C PHE A 4 13.529 -6.093 -5.359 1.00 0.00 C ATOM 61 O PHE A 4 14.226 -7.071 -5.093 1.00 0.00 O ATOM 62 CB PHE A 4 12.090 -6.175 -7.432 1.00 0.00 C ATOM 63 CG PHE A 4 12.900 -5.043 -8.000 1.00 0.00 C ATOM 64 CD1 PHE A 4 12.371 -3.766 -8.089 1.00 0.00 C ATOM 65 CD2 PHE A 4 14.190 -5.262 -8.455 1.00 0.00 C ATOM 66 CE1 PHE A 4 13.115 -2.729 -8.619 1.00 0.00 C ATOM 67 CE2 PHE A 4 14.939 -4.230 -8.986 1.00 0.00 C ATOM 68 CZ PHE A 4 14.401 -2.962 -9.068 1.00 0.00 C ATOM 0 HA PHE A 4 11.780 -7.277 -5.611 1.00 0.00 H new ATOM 0 HB2 PHE A 4 12.460 -7.112 -7.849 1.00 0.00 H new ATOM 0 HB3 PHE A 4 11.057 -6.065 -7.763 1.00 0.00 H new ATOM 0 HD1 PHE A 4 11.366 -3.579 -7.740 1.00 0.00 H new ATOM 0 HD2 PHE A 4 14.616 -6.253 -8.394 1.00 0.00 H new ATOM 0 HE1 PHE A 4 12.692 -1.737 -8.682 1.00 0.00 H new ATOM 0 HE2 PHE A 4 15.944 -4.415 -9.336 1.00 0.00 H new ATOM 0 HZ PHE A 4 14.984 -2.153 -9.482 1.00 0.00 H new ATOM 78 N ILE A 5 13.960 -4.844 -5.201 1.00 0.00 N ATOM 79 CA ILE A 5 15.303 -4.563 -4.699 1.00 0.00 C ATOM 80 C ILE A 5 15.495 -5.110 -3.289 1.00 0.00 C ATOM 81 O ILE A 5 16.624 -5.343 -2.855 1.00 0.00 O ATOM 82 CB ILE A 5 15.607 -3.049 -4.705 1.00 0.00 C ATOM 83 CG1 ILE A 5 17.105 -2.801 -4.500 1.00 0.00 C ATOM 84 CG2 ILE A 5 14.792 -2.330 -3.637 1.00 0.00 C ATOM 85 CD1 ILE A 5 17.941 -3.115 -5.722 1.00 0.00 C ATOM 0 H ILE A 5 13.404 -4.015 -5.412 1.00 0.00 H new ATOM 0 HA ILE A 5 15.999 -5.064 -5.372 1.00 0.00 H new ATOM 0 HB ILE A 5 15.322 -2.647 -5.677 1.00 0.00 H new ATOM 0 HG12 ILE A 5 17.258 -1.758 -4.223 1.00 0.00 H new ATOM 0 HG13 ILE A 5 17.455 -3.407 -3.665 1.00 0.00 H new ATOM 0 HG21 ILE A 5 15.022 -1.265 -3.659 1.00 0.00 H new ATOM 0 HG22 ILE A 5 13.729 -2.476 -3.831 1.00 0.00 H new ATOM 0 HG23 ILE A 5 15.041 -2.734 -2.656 1.00 0.00 H new ATOM 0 HD11 ILE A 5 18.991 -2.917 -5.506 1.00 0.00 H new ATOM 0 HD12 ILE A 5 17.817 -4.165 -5.987 1.00 0.00 H new ATOM 0 HD13 ILE A 5 17.618 -2.490 -6.554 1.00 0.00 H new ATOM 97 N GLU A 6 14.393 -5.335 -2.580 1.00 0.00 N ATOM 98 CA GLU A 6 14.461 -5.876 -1.230 1.00 0.00 C ATOM 99 C GLU A 6 14.728 -7.381 -1.266 1.00 0.00 C ATOM 100 O GLU A 6 15.298 -7.941 -0.329 1.00 0.00 O ATOM 101 CB GLU A 6 13.157 -5.588 -0.481 1.00 0.00 C ATOM 102 CG GLU A 6 13.363 -5.212 0.976 1.00 0.00 C ATOM 103 CD GLU A 6 12.284 -5.772 1.883 1.00 0.00 C ATOM 104 OE1 GLU A 6 11.906 -6.948 1.699 1.00 0.00 O ATOM 105 OE2 GLU A 6 11.822 -5.036 2.780 1.00 0.00 O ATOM 0 H GLU A 6 13.448 -5.152 -2.917 1.00 0.00 H new ATOM 0 HA GLU A 6 15.285 -5.393 -0.705 1.00 0.00 H new ATOM 0 HB2 GLU A 6 12.629 -4.779 -0.985 1.00 0.00 H new ATOM 0 HB3 GLU A 6 12.516 -6.468 -0.533 1.00 0.00 H new ATOM 0 HG2 GLU A 6 14.335 -5.576 1.307 1.00 0.00 H new ATOM 0 HG3 GLU A 6 13.381 -4.126 1.068 1.00 0.00 H new ATOM 112 N THR A 7 14.319 -8.030 -2.358 1.00 0.00 N ATOM 113 CA THR A 7 14.524 -9.468 -2.519 1.00 0.00 C ATOM 114 C THR A 7 15.401 -9.786 -3.737 1.00 0.00 C ATOM 115 O THR A 7 15.398 -10.915 -4.230 1.00 0.00 O ATOM 116 CB THR A 7 13.180 -10.193 -2.639 1.00 0.00 C ATOM 117 OG1 THR A 7 12.429 -9.686 -3.727 1.00 0.00 O ATOM 118 CG2 THR A 7 12.320 -10.079 -1.397 1.00 0.00 C ATOM 0 H THR A 7 13.845 -7.582 -3.142 1.00 0.00 H new ATOM 0 HA THR A 7 15.045 -9.822 -1.629 1.00 0.00 H new ATOM 0 HB THR A 7 13.435 -11.242 -2.789 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.472 -9.772 -3.533 1.00 0.00 H new ATOM 0 HG21 THR A 7 11.384 -10.615 -1.552 1.00 0.00 H new ATOM 0 HG22 THR A 7 12.849 -10.511 -0.547 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.108 -9.029 -1.197 1.00 0.00 H new ATOM 126 N CYS A 8 16.147 -8.796 -4.225 1.00 0.00 N ATOM 127 CA CYS A 8 17.011 -9.001 -5.385 1.00 0.00 C ATOM 128 C CYS A 8 18.385 -8.372 -5.167 1.00 0.00 C ATOM 129 O CYS A 8 18.529 -7.416 -4.404 1.00 0.00 O ATOM 130 CB CYS A 8 16.371 -8.418 -6.650 1.00 0.00 C ATOM 131 SG CYS A 8 14.717 -9.087 -7.030 1.00 0.00 S ATOM 0 H CYS A 8 16.171 -7.852 -3.839 1.00 0.00 H new ATOM 0 HA CYS A 8 17.137 -10.076 -5.514 1.00 0.00 H new ATOM 0 HB2 CYS A 8 16.296 -7.336 -6.540 1.00 0.00 H new ATOM 0 HB3 CYS A 8 17.030 -8.607 -7.497 1.00 0.00 H new ATOM 136 N ARG A 9 19.388 -8.916 -5.848 1.00 0.00 N ATOM 137 CA ARG A 9 20.755 -8.415 -5.736 1.00 0.00 C ATOM 138 C ARG A 9 21.376 -8.207 -7.115 1.00 0.00 C ATOM 139 O ARG A 9 20.788 -8.576 -8.130 1.00 0.00 O ATOM 140 CB ARG A 9 21.611 -9.387 -4.920 1.00 0.00 C ATOM 141 CG ARG A 9 21.491 -10.832 -5.378 1.00 0.00 C ATOM 142 CD ARG A 9 22.293 -11.773 -4.492 1.00 0.00 C ATOM 143 NE ARG A 9 23.702 -11.829 -4.879 1.00 0.00 N ATOM 144 CZ ARG A 9 24.640 -11.010 -4.407 1.00 0.00 C ATOM 145 NH1 ARG A 9 24.328 -10.061 -3.533 1.00 0.00 N ATOM 146 NH2 ARG A 9 25.896 -11.140 -4.813 1.00 0.00 N ATOM 0 H ARG A 9 19.281 -9.706 -6.485 1.00 0.00 H new ATOM 0 HA ARG A 9 20.721 -7.453 -5.225 1.00 0.00 H new ATOM 0 HB2 ARG A 9 22.655 -9.080 -4.982 1.00 0.00 H new ATOM 0 HB3 ARG A 9 21.322 -9.321 -3.871 1.00 0.00 H new ATOM 0 HG2 ARG A 9 20.443 -11.130 -5.370 1.00 0.00 H new ATOM 0 HG3 ARG A 9 21.839 -10.917 -6.408 1.00 0.00 H new ATOM 0 HD2 ARG A 9 22.216 -11.447 -3.455 1.00 0.00 H new ATOM 0 HD3 ARG A 9 21.863 -12.773 -4.545 1.00 0.00 H new ATOM 0 HE ARG A 9 23.984 -12.540 -5.553 1.00 0.00 H new ATOM 0 HH11 ARG A 9 23.364 -9.955 -3.218 1.00 0.00 H new ATOM 0 HH12 ARG A 9 25.053 -9.438 -3.176 1.00 0.00 H new ATOM 0 HH21 ARG A 9 26.142 -11.866 -5.486 1.00 0.00 H new ATOM 0 HH22 ARG A 9 26.616 -10.514 -4.453 1.00 0.00 H new ATOM 160 N ASN A 10 22.567 -7.611 -7.142 1.00 0.00 N ATOM 161 CA ASN A 10 23.288 -7.349 -8.388 1.00 0.00 C ATOM 162 C ASN A 10 22.408 -6.683 -9.446 1.00 0.00 C ATOM 163 O ASN A 10 22.258 -7.196 -10.556 1.00 0.00 O ATOM 164 CB ASN A 10 23.903 -8.640 -8.942 1.00 0.00 C ATOM 165 CG ASN A 10 22.868 -9.666 -9.361 1.00 0.00 C ATOM 166 OD1 ASN A 10 22.331 -10.396 -8.529 1.00 0.00 O ATOM 167 ND2 ASN A 10 22.593 -9.737 -10.658 1.00 0.00 N ATOM 0 H ASN A 10 23.058 -7.297 -6.305 1.00 0.00 H new ATOM 0 HA ASN A 10 24.087 -6.648 -8.146 1.00 0.00 H new ATOM 0 HB2 ASN A 10 24.531 -8.396 -9.799 1.00 0.00 H new ATOM 0 HB3 ASN A 10 24.553 -9.078 -8.185 1.00 0.00 H new ATOM 0 HD21 ASN A 10 21.913 -10.417 -10.999 1.00 0.00 H new ATOM 0 HD22 ASN A 10 23.062 -9.112 -11.314 1.00 0.00 H new ATOM 174 N THR A 11 21.853 -5.523 -9.107 1.00 0.00 N ATOM 175 CA THR A 11 21.024 -4.778 -10.047 1.00 0.00 C ATOM 176 C THR A 11 21.916 -4.020 -11.024 1.00 0.00 C ATOM 177 O THR A 11 22.897 -3.394 -10.624 1.00 0.00 O ATOM 178 CB THR A 11 20.097 -3.811 -9.307 1.00 0.00 C ATOM 179 OG1 THR A 11 20.842 -2.786 -8.678 1.00 0.00 O ATOM 180 CG2 THR A 11 19.252 -4.484 -8.247 1.00 0.00 C ATOM 0 H THR A 11 21.962 -5.081 -8.194 1.00 0.00 H new ATOM 0 HA THR A 11 20.401 -5.480 -10.601 1.00 0.00 H new ATOM 0 HB THR A 11 19.434 -3.405 -10.071 1.00 0.00 H new ATOM 0 HG1 THR A 11 20.553 -1.914 -9.021 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.618 -3.742 -7.761 1.00 0.00 H new ATOM 0 HG22 THR A 11 18.627 -5.247 -8.710 1.00 0.00 H new ATOM 0 HG23 THR A 11 19.901 -4.948 -7.505 1.00 0.00 H new ATOM 188 N GLN A 12 21.582 -4.092 -12.306 1.00 0.00 N ATOM 189 CA GLN A 12 22.371 -3.426 -13.337 1.00 0.00 C ATOM 190 C GLN A 12 21.556 -3.187 -14.599 1.00 0.00 C ATOM 191 O GLN A 12 20.498 -3.788 -14.790 1.00 0.00 O ATOM 192 CB GLN A 12 23.630 -4.237 -13.659 1.00 0.00 C ATOM 193 CG GLN A 12 23.344 -5.651 -14.133 1.00 0.00 C ATOM 194 CD GLN A 12 24.600 -6.386 -14.558 1.00 0.00 C ATOM 195 OE1 GLN A 12 25.418 -5.860 -15.312 1.00 0.00 O ATOM 196 NE2 GLN A 12 24.760 -7.613 -14.073 1.00 0.00 N ATOM 0 H GLN A 12 20.772 -4.603 -12.657 1.00 0.00 H new ATOM 0 HA GLN A 12 22.670 -2.453 -12.946 1.00 0.00 H new ATOM 0 HB2 GLN A 12 24.201 -3.715 -14.427 1.00 0.00 H new ATOM 0 HB3 GLN A 12 24.259 -4.282 -12.770 1.00 0.00 H new ATOM 0 HG2 GLN A 12 22.855 -6.207 -13.333 1.00 0.00 H new ATOM 0 HG3 GLN A 12 22.647 -5.616 -14.970 1.00 0.00 H new ATOM 0 HE21 GLN A 12 24.057 -8.011 -13.451 1.00 0.00 H new ATOM 0 HE22 GLN A 12 25.586 -8.157 -14.323 1.00 0.00 H new ATOM 205 N LEU A 13 22.056 -2.305 -15.460 1.00 0.00 N ATOM 206 CA LEU A 13 21.371 -1.987 -16.705 1.00 0.00 C ATOM 207 C LEU A 13 21.951 -2.783 -17.863 1.00 0.00 C ATOM 208 O LEU A 13 23.168 -2.898 -18.013 1.00 0.00 O ATOM 209 CB LEU A 13 21.484 -0.496 -17.022 1.00 0.00 C ATOM 210 CG LEU A 13 20.808 -0.073 -18.331 1.00 0.00 C ATOM 211 CD1 LEU A 13 19.632 0.845 -18.048 1.00 0.00 C ATOM 212 CD2 LEU A 13 21.803 0.598 -19.272 1.00 0.00 C ATOM 0 H LEU A 13 22.931 -1.800 -15.317 1.00 0.00 H new ATOM 0 HA LEU A 13 20.322 -2.252 -16.576 1.00 0.00 H new ATOM 0 HB2 LEU A 13 21.046 0.072 -16.201 1.00 0.00 H new ATOM 0 HB3 LEU A 13 22.539 -0.226 -17.069 1.00 0.00 H new ATOM 0 HG LEU A 13 20.436 -0.970 -18.825 1.00 0.00 H new ATOM 0 HD11 LEU A 13 19.163 1.136 -18.988 1.00 0.00 H new ATOM 0 HD12 LEU A 13 18.905 0.323 -17.426 1.00 0.00 H new ATOM 0 HD13 LEU A 13 19.983 1.736 -17.527 1.00 0.00 H new ATOM 0 HD21 LEU A 13 21.295 0.887 -20.192 1.00 0.00 H new ATOM 0 HD22 LEU A 13 22.217 1.485 -18.792 1.00 0.00 H new ATOM 0 HD23 LEU A 13 22.609 -0.098 -19.506 1.00 0.00 H new ATOM 224 N ALA A 14 21.061 -3.318 -18.687 1.00 0.00 N ATOM 225 CA ALA A 14 21.445 -4.095 -19.850 1.00 0.00 C ATOM 226 C ALA A 14 20.902 -3.421 -21.102 1.00 0.00 C ATOM 227 O ALA A 14 19.824 -2.829 -21.069 1.00 0.00 O ATOM 228 CB ALA A 14 20.909 -5.515 -19.727 1.00 0.00 C ATOM 0 H ALA A 14 20.053 -3.224 -18.565 1.00 0.00 H new ATOM 0 HA ALA A 14 22.532 -4.146 -19.917 1.00 0.00 H new ATOM 0 HB1 ALA A 14 21.202 -6.092 -20.604 1.00 0.00 H new ATOM 0 HB2 ALA A 14 21.319 -5.983 -18.832 1.00 0.00 H new ATOM 0 HB3 ALA A 14 19.822 -5.489 -19.657 1.00 0.00 H new ATOM 234 N GLY A 15 21.646 -3.484 -22.199 1.00 0.00 N ATOM 235 CA GLY A 15 21.188 -2.841 -23.418 1.00 0.00 C ATOM 236 C GLY A 15 20.968 -1.354 -23.213 1.00 0.00 C ATOM 237 O GLY A 15 21.624 -0.743 -22.371 1.00 0.00 O ATOM 0 H GLY A 15 22.545 -3.961 -22.268 1.00 0.00 H new ATOM 0 HA2 GLY A 15 21.921 -2.996 -24.210 1.00 0.00 H new ATOM 0 HA3 GLY A 15 20.259 -3.305 -23.749 1.00 0.00 H new ATOM 241 N SER A 16 20.071 -0.759 -23.993 1.00 0.00 N ATOM 242 CA SER A 16 19.818 0.673 -23.887 1.00 0.00 C ATOM 243 C SER A 16 18.777 1.010 -22.822 1.00 0.00 C ATOM 244 O SER A 16 18.894 2.033 -22.149 1.00 0.00 O ATOM 245 CB SER A 16 19.331 1.218 -25.228 1.00 0.00 C ATOM 246 OG SER A 16 20.032 0.625 -26.307 1.00 0.00 O ATOM 0 H SER A 16 19.513 -1.240 -24.698 1.00 0.00 H new ATOM 0 HA SER A 16 20.762 1.135 -23.598 1.00 0.00 H new ATOM 0 HB2 SER A 16 18.263 1.026 -25.335 1.00 0.00 H new ATOM 0 HB3 SER A 16 19.465 2.299 -25.254 1.00 0.00 H new ATOM 0 HG SER A 16 19.699 0.990 -27.153 1.00 0.00 H new ATOM 252 N SER A 17 17.749 0.176 -22.671 1.00 0.00 N ATOM 253 CA SER A 17 16.711 0.460 -21.691 1.00 0.00 C ATOM 254 C SER A 17 16.219 -0.791 -20.959 1.00 0.00 C ATOM 255 O SER A 17 15.038 -0.896 -20.629 1.00 0.00 O ATOM 256 CB SER A 17 15.547 1.171 -22.380 1.00 0.00 C ATOM 257 OG SER A 17 15.299 0.625 -23.663 1.00 0.00 O ATOM 0 H SER A 17 17.616 -0.683 -23.204 1.00 0.00 H new ATOM 0 HA SER A 17 17.148 1.106 -20.929 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.650 1.085 -21.766 1.00 0.00 H new ATOM 0 HB3 SER A 17 15.770 2.234 -22.471 1.00 0.00 H new ATOM 0 HG SER A 17 14.792 1.269 -24.200 1.00 0.00 H new ATOM 263 N GLU A 18 17.126 -1.726 -20.695 1.00 0.00 N ATOM 264 CA GLU A 18 16.778 -2.955 -19.979 1.00 0.00 C ATOM 265 C GLU A 18 17.492 -3.054 -18.638 1.00 0.00 C ATOM 266 O GLU A 18 18.617 -2.582 -18.480 1.00 0.00 O ATOM 267 CB GLU A 18 17.092 -4.199 -20.813 1.00 0.00 C ATOM 268 CG GLU A 18 16.018 -4.549 -21.827 1.00 0.00 C ATOM 269 CD GLU A 18 16.326 -4.041 -23.220 1.00 0.00 C ATOM 270 OE1 GLU A 18 17.513 -4.058 -23.610 1.00 0.00 O ATOM 271 OE2 GLU A 18 15.380 -3.631 -23.925 1.00 0.00 O ATOM 0 H GLU A 18 18.107 -1.659 -20.965 1.00 0.00 H new ATOM 0 HA GLU A 18 15.704 -2.909 -19.799 1.00 0.00 H new ATOM 0 HB2 GLU A 18 18.035 -4.044 -21.337 1.00 0.00 H new ATOM 0 HB3 GLU A 18 17.235 -5.047 -20.143 1.00 0.00 H new ATOM 0 HG2 GLU A 18 15.898 -5.632 -21.860 1.00 0.00 H new ATOM 0 HG3 GLU A 18 15.066 -4.132 -21.497 1.00 0.00 H new ATOM 278 N LEU A 19 16.825 -3.685 -17.678 1.00 0.00 N ATOM 279 CA LEU A 19 17.381 -3.878 -16.346 1.00 0.00 C ATOM 280 C LEU A 19 17.435 -5.370 -16.037 1.00 0.00 C ATOM 281 O LEU A 19 16.419 -6.063 -16.113 1.00 0.00 O ATOM 282 CB LEU A 19 16.534 -3.132 -15.301 1.00 0.00 C ATOM 283 CG LEU A 19 16.683 -3.602 -13.848 1.00 0.00 C ATOM 284 CD1 LEU A 19 18.140 -3.562 -13.410 1.00 0.00 C ATOM 285 CD2 LEU A 19 15.829 -2.743 -12.927 1.00 0.00 C ATOM 0 H LEU A 19 15.890 -4.074 -17.801 1.00 0.00 H new ATOM 0 HA LEU A 19 18.392 -3.471 -16.309 1.00 0.00 H new ATOM 0 HB2 LEU A 19 16.788 -2.073 -15.346 1.00 0.00 H new ATOM 0 HB3 LEU A 19 15.485 -3.220 -15.584 1.00 0.00 H new ATOM 0 HG LEU A 19 16.339 -4.634 -13.786 1.00 0.00 H new ATOM 0 HD11 LEU A 19 18.219 -3.900 -12.377 1.00 0.00 H new ATOM 0 HD12 LEU A 19 18.731 -4.216 -14.051 1.00 0.00 H new ATOM 0 HD13 LEU A 19 18.515 -2.542 -13.488 1.00 0.00 H new ATOM 0 HD21 LEU A 19 15.944 -3.087 -11.899 1.00 0.00 H new ATOM 0 HD22 LEU A 19 16.148 -1.703 -13.000 1.00 0.00 H new ATOM 0 HD23 LEU A 19 14.783 -2.823 -13.222 1.00 0.00 H new ATOM 297 N ALA A 20 18.612 -5.872 -15.685 1.00 0.00 N ATOM 298 CA ALA A 20 18.762 -7.281 -15.370 1.00 0.00 C ATOM 299 C ALA A 20 19.285 -7.450 -13.947 1.00 0.00 C ATOM 300 O ALA A 20 20.084 -6.647 -13.466 1.00 0.00 O ATOM 301 CB ALA A 20 19.676 -7.951 -16.386 1.00 0.00 C ATOM 0 H ALA A 20 19.470 -5.326 -15.612 1.00 0.00 H new ATOM 0 HA ALA A 20 17.788 -7.768 -15.426 1.00 0.00 H new ATOM 0 HB1 ALA A 20 19.781 -9.008 -16.140 1.00 0.00 H new ATOM 0 HB2 ALA A 20 19.246 -7.852 -17.383 1.00 0.00 H new ATOM 0 HB3 ALA A 20 20.656 -7.474 -16.364 1.00 0.00 H new ATOM 307 N ALA A 21 18.811 -8.489 -13.277 1.00 0.00 N ATOM 308 CA ALA A 21 19.202 -8.761 -11.901 1.00 0.00 C ATOM 309 C ALA A 21 18.896 -10.204 -11.526 1.00 0.00 C ATOM 310 O ALA A 21 18.217 -10.915 -12.268 1.00 0.00 O ATOM 311 CB ALA A 21 18.488 -7.809 -10.955 1.00 0.00 C ATOM 0 H ALA A 21 18.151 -9.162 -13.666 1.00 0.00 H new ATOM 0 HA ALA A 21 20.277 -8.606 -11.814 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.788 -8.022 -9.929 1.00 0.00 H new ATOM 0 HB2 ALA A 21 18.753 -6.781 -11.205 1.00 0.00 H new ATOM 0 HB3 ALA A 21 17.410 -7.940 -11.052 1.00 0.00 H new ATOM 317 N GLU A 22 19.345 -10.622 -10.350 1.00 0.00 N ATOM 318 CA GLU A 22 19.052 -11.961 -9.866 1.00 0.00 C ATOM 319 C GLU A 22 18.121 -11.843 -8.666 1.00 0.00 C ATOM 320 O GLU A 22 18.335 -10.996 -7.798 1.00 0.00 O ATOM 321 CB GLU A 22 20.330 -12.703 -9.481 1.00 0.00 C ATOM 322 CG GLU A 22 21.200 -13.072 -10.670 1.00 0.00 C ATOM 323 CD GLU A 22 22.620 -13.413 -10.265 1.00 0.00 C ATOM 324 OE1 GLU A 22 23.104 -12.845 -9.263 1.00 0.00 O ATOM 325 OE2 GLU A 22 23.246 -14.250 -10.947 1.00 0.00 O ATOM 0 H GLU A 22 19.910 -10.055 -9.718 1.00 0.00 H new ATOM 0 HA GLU A 22 18.573 -12.536 -10.659 1.00 0.00 H new ATOM 0 HB2 GLU A 22 20.909 -12.082 -8.797 1.00 0.00 H new ATOM 0 HB3 GLU A 22 20.064 -13.611 -8.940 1.00 0.00 H new ATOM 0 HG2 GLU A 22 20.759 -13.923 -11.189 1.00 0.00 H new ATOM 0 HG3 GLU A 22 21.216 -12.242 -11.376 1.00 0.00 H new ATOM 332 N CYS A 23 17.077 -12.661 -8.615 1.00 0.00 N ATOM 333 CA CYS A 23 16.130 -12.582 -7.511 1.00 0.00 C ATOM 334 C CYS A 23 15.848 -13.944 -6.892 1.00 0.00 C ATOM 335 O CYS A 23 15.646 -14.935 -7.595 1.00 0.00 O ATOM 336 CB CYS A 23 14.827 -11.953 -7.995 1.00 0.00 C ATOM 337 SG CYS A 23 15.022 -10.266 -8.652 1.00 0.00 S ATOM 0 H CYS A 23 16.867 -13.375 -9.312 1.00 0.00 H new ATOM 0 HA CYS A 23 16.581 -11.961 -6.737 1.00 0.00 H new ATOM 0 HB2 CYS A 23 14.395 -12.586 -8.770 1.00 0.00 H new ATOM 0 HB3 CYS A 23 14.117 -11.931 -7.169 1.00 0.00 H new ATOM 342 N LYS A 24 15.851 -13.980 -5.566 1.00 0.00 N ATOM 343 CA LYS A 24 15.602 -15.213 -4.837 1.00 0.00 C ATOM 344 C LYS A 24 14.167 -15.692 -5.026 1.00 0.00 C ATOM 345 O LYS A 24 13.218 -14.910 -4.943 1.00 0.00 O ATOM 346 CB LYS A 24 15.900 -15.024 -3.344 1.00 0.00 C ATOM 347 CG LYS A 24 15.041 -13.958 -2.671 1.00 0.00 C ATOM 348 CD LYS A 24 14.652 -14.358 -1.253 1.00 0.00 C ATOM 349 CE LYS A 24 15.445 -13.581 -0.213 1.00 0.00 C ATOM 350 NZ LYS A 24 14.659 -13.360 1.035 1.00 0.00 N ATOM 0 H LYS A 24 16.024 -13.167 -4.974 1.00 0.00 H new ATOM 0 HA LYS A 24 16.269 -15.975 -5.240 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.751 -15.974 -2.831 1.00 0.00 H new ATOM 0 HB3 LYS A 24 16.950 -14.759 -3.224 1.00 0.00 H new ATOM 0 HG2 LYS A 24 15.586 -13.014 -2.646 1.00 0.00 H new ATOM 0 HG3 LYS A 24 14.140 -13.791 -3.262 1.00 0.00 H new ATOM 0 HD2 LYS A 24 13.587 -14.182 -1.104 1.00 0.00 H new ATOM 0 HD3 LYS A 24 14.821 -15.426 -1.117 1.00 0.00 H new ATOM 0 HE2 LYS A 24 16.360 -14.123 0.026 1.00 0.00 H new ATOM 0 HE3 LYS A 24 15.744 -12.619 -0.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 15.235 -12.827 1.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 13.798 -12.820 0.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 14.395 -14.278 1.446 1.00 0.00 H new ATOM 364 N THR A 25 14.022 -16.989 -5.274 1.00 0.00 N ATOM 365 CA THR A 25 12.710 -17.592 -5.470 1.00 0.00 C ATOM 366 C THR A 25 12.086 -17.954 -4.126 1.00 0.00 C ATOM 367 O THR A 25 12.665 -17.680 -3.074 1.00 0.00 O ATOM 368 CB THR A 25 12.826 -18.834 -6.357 1.00 0.00 C ATOM 369 OG1 THR A 25 13.672 -19.800 -5.759 1.00 0.00 O ATOM 370 CG2 THR A 25 13.377 -18.531 -7.737 1.00 0.00 C ATOM 0 H THR A 25 14.800 -17.645 -5.344 1.00 0.00 H new ATOM 0 HA THR A 25 12.064 -16.868 -5.967 1.00 0.00 H new ATOM 0 HB THR A 25 11.809 -19.212 -6.462 1.00 0.00 H new ATOM 0 HG1 THR A 25 13.732 -20.587 -6.340 1.00 0.00 H new ATOM 0 HG21 THR A 25 13.434 -19.453 -8.316 1.00 0.00 H new ATOM 0 HG22 THR A 25 12.720 -17.824 -8.244 1.00 0.00 H new ATOM 0 HG23 THR A 25 14.373 -18.098 -7.644 1.00 0.00 H new ATOM 378 N ARG A 26 10.901 -18.559 -4.157 1.00 0.00 N ATOM 379 CA ARG A 26 10.208 -18.940 -2.930 1.00 0.00 C ATOM 380 C ARG A 26 11.036 -19.923 -2.106 1.00 0.00 C ATOM 381 O ARG A 26 10.932 -19.961 -0.881 1.00 0.00 O ATOM 382 CB ARG A 26 8.847 -19.562 -3.261 1.00 0.00 C ATOM 383 CG ARG A 26 7.929 -18.648 -4.057 1.00 0.00 C ATOM 384 CD ARG A 26 6.518 -19.211 -4.145 1.00 0.00 C ATOM 385 NE ARG A 26 5.741 -18.911 -2.945 1.00 0.00 N ATOM 386 CZ ARG A 26 4.410 -18.920 -2.896 1.00 0.00 C ATOM 387 NH1 ARG A 26 3.697 -19.213 -3.976 1.00 0.00 N ATOM 388 NH2 ARG A 26 3.790 -18.635 -1.760 1.00 0.00 N ATOM 0 H ARG A 26 10.403 -18.795 -5.015 1.00 0.00 H new ATOM 0 HA ARG A 26 10.060 -18.037 -2.338 1.00 0.00 H new ATOM 0 HB2 ARG A 26 9.006 -20.481 -3.825 1.00 0.00 H new ATOM 0 HB3 ARG A 26 8.350 -19.840 -2.332 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.900 -17.664 -3.590 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.331 -18.513 -5.061 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.014 -18.796 -5.018 1.00 0.00 H new ATOM 0 HD3 ARG A 26 6.565 -20.291 -4.288 1.00 0.00 H new ATOM 0 HE ARG A 26 6.249 -18.680 -2.091 1.00 0.00 H new ATOM 0 HH11 ARG A 26 4.168 -19.434 -4.853 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.678 -19.217 -3.929 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.332 -18.409 -0.926 1.00 0.00 H new ATOM 0 HH22 ARG A 26 2.771 -18.641 -1.720 1.00 0.00 H new ATOM 402 N ALA A 27 11.835 -20.738 -2.788 1.00 0.00 N ATOM 403 CA ALA A 27 12.652 -21.742 -2.117 1.00 0.00 C ATOM 404 C ALA A 27 13.965 -21.172 -1.579 1.00 0.00 C ATOM 405 O ALA A 27 14.852 -21.926 -1.179 1.00 0.00 O ATOM 406 CB ALA A 27 12.930 -22.901 -3.064 1.00 0.00 C ATOM 0 H ALA A 27 11.934 -20.723 -3.803 1.00 0.00 H new ATOM 0 HA ALA A 27 12.085 -22.096 -1.256 1.00 0.00 H new ATOM 0 HB1 ALA A 27 13.541 -23.647 -2.556 1.00 0.00 H new ATOM 0 HB2 ALA A 27 11.987 -23.353 -3.373 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.461 -22.534 -3.942 1.00 0.00 H new ATOM 412 N GLN A 28 14.106 -19.848 -1.589 1.00 0.00 N ATOM 413 CA GLN A 28 15.332 -19.204 -1.122 1.00 0.00 C ATOM 414 C GLN A 28 16.509 -19.534 -2.036 1.00 0.00 C ATOM 415 O GLN A 28 17.647 -19.657 -1.587 1.00 0.00 O ATOM 416 CB GLN A 28 15.662 -19.640 0.309 1.00 0.00 C ATOM 417 CG GLN A 28 14.470 -19.626 1.252 1.00 0.00 C ATOM 418 CD GLN A 28 14.474 -20.802 2.210 1.00 0.00 C ATOM 419 OE1 GLN A 28 13.706 -21.751 2.049 1.00 0.00 O ATOM 420 NE2 GLN A 28 15.343 -20.746 3.213 1.00 0.00 N ATOM 0 H GLN A 28 13.388 -19.201 -1.915 1.00 0.00 H new ATOM 0 HA GLN A 28 15.163 -18.127 -1.140 1.00 0.00 H new ATOM 0 HB2 GLN A 28 16.080 -20.646 0.284 1.00 0.00 H new ATOM 0 HB3 GLN A 28 16.435 -18.984 0.708 1.00 0.00 H new ATOM 0 HG2 GLN A 28 14.473 -18.697 1.822 1.00 0.00 H new ATOM 0 HG3 GLN A 28 13.549 -19.640 0.669 1.00 0.00 H new ATOM 0 HE21 GLN A 28 15.961 -19.940 3.308 1.00 0.00 H new ATOM 0 HE22 GLN A 28 15.393 -21.509 3.888 1.00 0.00 H new ATOM 429 N GLN A 29 16.224 -19.631 -3.330 1.00 0.00 N ATOM 430 CA GLN A 29 17.248 -19.897 -4.332 1.00 0.00 C ATOM 431 C GLN A 29 17.344 -18.689 -5.258 1.00 0.00 C ATOM 432 O GLN A 29 16.323 -18.127 -5.644 1.00 0.00 O ATOM 433 CB GLN A 29 16.913 -21.163 -5.125 1.00 0.00 C ATOM 434 CG GLN A 29 16.496 -22.332 -4.246 1.00 0.00 C ATOM 435 CD GLN A 29 15.986 -23.513 -5.046 1.00 0.00 C ATOM 436 OE1 GLN A 29 14.924 -24.063 -4.753 1.00 0.00 O ATOM 437 NE2 GLN A 29 16.742 -23.912 -6.062 1.00 0.00 N ATOM 0 H GLN A 29 15.284 -19.528 -3.711 1.00 0.00 H new ATOM 0 HA GLN A 29 18.208 -20.062 -3.843 1.00 0.00 H new ATOM 0 HB2 GLN A 29 16.110 -20.941 -5.827 1.00 0.00 H new ATOM 0 HB3 GLN A 29 17.782 -21.454 -5.716 1.00 0.00 H new ATOM 0 HG2 GLN A 29 17.346 -22.648 -3.642 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.719 -22.003 -3.556 1.00 0.00 H new ATOM 0 HE21 GLN A 29 17.615 -23.427 -6.269 1.00 0.00 H new ATOM 0 HE22 GLN A 29 16.450 -24.703 -6.635 1.00 0.00 H new ATOM 446 N PHE A 30 18.558 -18.265 -5.587 1.00 0.00 N ATOM 447 CA PHE A 30 18.735 -17.090 -6.438 1.00 0.00 C ATOM 448 C PHE A 30 18.880 -17.461 -7.908 1.00 0.00 C ATOM 449 O PHE A 30 19.745 -18.253 -8.282 1.00 0.00 O ATOM 450 CB PHE A 30 19.960 -16.294 -5.991 1.00 0.00 C ATOM 451 CG PHE A 30 19.718 -15.449 -4.773 1.00 0.00 C ATOM 452 CD1 PHE A 30 19.207 -14.168 -4.895 1.00 0.00 C ATOM 453 CD2 PHE A 30 20.003 -15.938 -3.509 1.00 0.00 C ATOM 454 CE1 PHE A 30 18.983 -13.387 -3.775 1.00 0.00 C ATOM 455 CE2 PHE A 30 19.782 -15.163 -2.386 1.00 0.00 C ATOM 456 CZ PHE A 30 19.271 -13.886 -2.520 1.00 0.00 C ATOM 0 H PHE A 30 19.425 -18.708 -5.284 1.00 0.00 H new ATOM 0 HA PHE A 30 17.837 -16.481 -6.333 1.00 0.00 H new ATOM 0 HB2 PHE A 30 20.777 -16.986 -5.786 1.00 0.00 H new ATOM 0 HB3 PHE A 30 20.284 -15.652 -6.810 1.00 0.00 H new ATOM 0 HD1 PHE A 30 18.981 -13.774 -5.875 1.00 0.00 H new ATOM 0 HD2 PHE A 30 20.402 -16.936 -3.400 1.00 0.00 H new ATOM 0 HE1 PHE A 30 18.584 -12.389 -3.882 1.00 0.00 H new ATOM 0 HE2 PHE A 30 20.008 -15.555 -1.405 1.00 0.00 H new ATOM 0 HZ PHE A 30 19.097 -13.279 -1.644 1.00 0.00 H new ATOM 466 N VAL A 31 18.027 -16.871 -8.740 1.00 0.00 N ATOM 467 CA VAL A 31 18.056 -17.117 -10.173 1.00 0.00 C ATOM 468 C VAL A 31 18.025 -15.801 -10.945 1.00 0.00 C ATOM 469 O VAL A 31 17.461 -14.811 -10.480 1.00 0.00 O ATOM 470 CB VAL A 31 16.870 -17.996 -10.616 1.00 0.00 C ATOM 471 CG1 VAL A 31 16.987 -19.384 -10.007 1.00 0.00 C ATOM 472 CG2 VAL A 31 15.548 -17.346 -10.234 1.00 0.00 C ATOM 0 H VAL A 31 17.304 -16.216 -8.441 1.00 0.00 H new ATOM 0 HA VAL A 31 18.984 -17.645 -10.393 1.00 0.00 H new ATOM 0 HB VAL A 31 16.896 -18.094 -11.701 1.00 0.00 H new ATOM 0 HG11 VAL A 31 16.143 -19.994 -10.328 1.00 0.00 H new ATOM 0 HG12 VAL A 31 17.917 -19.848 -10.336 1.00 0.00 H new ATOM 0 HG13 VAL A 31 16.985 -19.306 -8.920 1.00 0.00 H new ATOM 0 HG21 VAL A 31 14.723 -17.982 -10.556 1.00 0.00 H new ATOM 0 HG22 VAL A 31 15.506 -17.216 -9.153 1.00 0.00 H new ATOM 0 HG23 VAL A 31 15.467 -16.374 -10.720 1.00 0.00 H new ATOM 482 N SER A 32 18.664 -15.788 -12.108 1.00 0.00 N ATOM 483 CA SER A 32 18.737 -14.583 -12.930 1.00 0.00 C ATOM 484 C SER A 32 17.381 -14.227 -13.537 1.00 0.00 C ATOM 485 O SER A 32 16.660 -15.090 -14.039 1.00 0.00 O ATOM 486 CB SER A 32 19.765 -14.771 -14.046 1.00 0.00 C ATOM 487 OG SER A 32 21.073 -14.467 -13.594 1.00 0.00 O ATOM 0 H SER A 32 19.140 -16.598 -12.505 1.00 0.00 H new ATOM 0 HA SER A 32 19.042 -13.762 -12.282 1.00 0.00 H new ATOM 0 HB2 SER A 32 19.731 -15.799 -14.406 1.00 0.00 H new ATOM 0 HB3 SER A 32 19.511 -14.130 -14.890 1.00 0.00 H new ATOM 0 HG SER A 32 21.711 -14.597 -14.327 1.00 0.00 H new ATOM 493 N THR A 33 17.057 -12.936 -13.492 1.00 0.00 N ATOM 494 CA THR A 33 15.803 -12.422 -14.033 1.00 0.00 C ATOM 495 C THR A 33 16.030 -11.055 -14.669 1.00 0.00 C ATOM 496 O THR A 33 17.038 -10.398 -14.399 1.00 0.00 O ATOM 497 CB THR A 33 14.738 -12.321 -12.939 1.00 0.00 C ATOM 498 OG1 THR A 33 13.607 -11.607 -13.405 1.00 0.00 O ATOM 499 CG2 THR A 33 15.226 -11.632 -11.683 1.00 0.00 C ATOM 0 H THR A 33 17.655 -12.220 -13.080 1.00 0.00 H new ATOM 0 HA THR A 33 15.448 -13.117 -14.794 1.00 0.00 H new ATOM 0 HB THR A 33 14.484 -13.352 -12.692 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.114 -12.159 -14.048 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.419 -11.596 -10.951 1.00 0.00 H new ATOM 0 HG22 THR A 33 16.068 -12.186 -11.268 1.00 0.00 H new ATOM 0 HG23 THR A 33 15.543 -10.617 -11.924 1.00 0.00 H new ATOM 507 N LYS A 34 15.106 -10.626 -15.518 1.00 0.00 N ATOM 508 CA LYS A 34 15.250 -9.341 -16.184 1.00 0.00 C ATOM 509 C LYS A 34 13.915 -8.619 -16.340 1.00 0.00 C ATOM 510 O LYS A 34 12.849 -9.234 -16.350 1.00 0.00 O ATOM 511 CB LYS A 34 15.896 -9.530 -17.557 1.00 0.00 C ATOM 512 CG LYS A 34 16.470 -8.248 -18.139 1.00 0.00 C ATOM 513 CD LYS A 34 17.161 -8.498 -19.471 1.00 0.00 C ATOM 514 CE LYS A 34 16.161 -8.569 -20.614 1.00 0.00 C ATOM 515 NZ LYS A 34 15.988 -9.959 -21.115 1.00 0.00 N ATOM 0 H LYS A 34 14.260 -11.142 -15.759 1.00 0.00 H new ATOM 0 HA LYS A 34 15.890 -8.722 -15.555 1.00 0.00 H new ATOM 0 HB2 LYS A 34 16.691 -10.271 -17.477 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.154 -9.932 -18.247 1.00 0.00 H new ATOM 0 HG2 LYS A 34 15.671 -7.519 -18.274 1.00 0.00 H new ATOM 0 HG3 LYS A 34 17.181 -7.815 -17.435 1.00 0.00 H new ATOM 0 HD2 LYS A 34 17.880 -7.702 -19.664 1.00 0.00 H new ATOM 0 HD3 LYS A 34 17.724 -9.430 -19.421 1.00 0.00 H new ATOM 0 HE2 LYS A 34 15.199 -8.182 -20.279 1.00 0.00 H new ATOM 0 HE3 LYS A 34 16.496 -7.928 -21.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.298 -9.964 -21.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 16.901 -10.320 -21.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.644 -10.566 -20.344 1.00 0.00 H new ATOM 529 N ILE A 35 14.005 -7.302 -16.480 1.00 0.00 N ATOM 530 CA ILE A 35 12.839 -6.446 -16.653 1.00 0.00 C ATOM 531 C ILE A 35 13.154 -5.405 -17.720 1.00 0.00 C ATOM 532 O ILE A 35 14.173 -4.719 -17.635 1.00 0.00 O ATOM 533 CB ILE A 35 12.469 -5.753 -15.321 1.00 0.00 C ATOM 534 CG1 ILE A 35 11.188 -4.928 -15.460 1.00 0.00 C ATOM 535 CG2 ILE A 35 13.618 -4.884 -14.837 1.00 0.00 C ATOM 536 CD1 ILE A 35 9.984 -5.578 -14.813 1.00 0.00 C ATOM 0 H ILE A 35 14.891 -6.797 -16.477 1.00 0.00 H new ATOM 0 HA ILE A 35 11.986 -7.050 -16.964 1.00 0.00 H new ATOM 0 HB ILE A 35 12.284 -6.529 -14.579 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.346 -3.946 -15.013 1.00 0.00 H new ATOM 0 HG13 ILE A 35 10.981 -4.767 -16.518 1.00 0.00 H new ATOM 0 HG21 ILE A 35 13.341 -4.404 -13.899 1.00 0.00 H new ATOM 0 HG22 ILE A 35 14.502 -5.503 -14.681 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.837 -4.121 -15.584 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.110 -4.941 -14.948 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.801 -6.548 -15.276 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.172 -5.714 -13.748 1.00 0.00 H new ATOM 548 N ASN A 36 12.308 -5.303 -18.742 1.00 0.00 N ATOM 549 CA ASN A 36 12.553 -4.360 -19.826 1.00 0.00 C ATOM 550 C ASN A 36 11.928 -3.005 -19.515 1.00 0.00 C ATOM 551 O ASN A 36 10.713 -2.893 -19.358 1.00 0.00 O ATOM 552 CB ASN A 36 11.985 -4.911 -21.130 1.00 0.00 C ATOM 553 CG ASN A 36 12.634 -4.284 -22.345 1.00 0.00 C ATOM 554 OD1 ASN A 36 13.134 -3.161 -22.284 1.00 0.00 O ATOM 555 ND2 ASN A 36 12.638 -5.013 -23.454 1.00 0.00 N ATOM 0 H ASN A 36 11.456 -5.856 -18.841 1.00 0.00 H new ATOM 0 HA ASN A 36 13.629 -4.225 -19.931 1.00 0.00 H new ATOM 0 HB2 ASN A 36 12.129 -5.991 -21.160 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.910 -4.732 -21.161 1.00 0.00 H new ATOM 0 HD21 ASN A 36 13.068 -4.647 -24.303 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.211 -5.939 -23.457 1.00 0.00 H new ATOM 562 N LEU A 37 12.762 -1.978 -19.432 1.00 0.00 N ATOM 563 CA LEU A 37 12.285 -0.633 -19.135 1.00 0.00 C ATOM 564 C LEU A 37 11.885 0.125 -20.399 1.00 0.00 C ATOM 565 O LEU A 37 11.251 1.178 -20.317 1.00 0.00 O ATOM 566 CB LEU A 37 13.354 0.148 -18.372 1.00 0.00 C ATOM 567 CG LEU A 37 13.876 -0.545 -17.112 1.00 0.00 C ATOM 568 CD1 LEU A 37 15.000 -1.510 -17.459 1.00 0.00 C ATOM 569 CD2 LEU A 37 14.348 0.484 -16.096 1.00 0.00 C ATOM 0 H LEU A 37 13.771 -2.049 -19.566 1.00 0.00 H new ATOM 0 HA LEU A 37 11.394 -0.732 -18.515 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.194 0.336 -19.041 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.945 1.119 -18.093 1.00 0.00 H new ATOM 0 HG LEU A 37 13.060 -1.116 -16.669 1.00 0.00 H new ATOM 0 HD11 LEU A 37 15.358 -1.993 -16.550 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.629 -2.267 -18.150 1.00 0.00 H new ATOM 0 HD13 LEU A 37 15.819 -0.962 -17.926 1.00 0.00 H new ATOM 0 HD21 LEU A 37 14.716 -0.026 -15.206 1.00 0.00 H new ATOM 0 HD22 LEU A 37 15.150 1.082 -16.529 1.00 0.00 H new ATOM 0 HD23 LEU A 37 13.517 1.134 -15.824 1.00 0.00 H new ATOM 581 N ASP A 38 12.288 -0.378 -21.565 1.00 0.00 N ATOM 582 CA ASP A 38 11.984 0.299 -22.821 1.00 0.00 C ATOM 583 C ASP A 38 10.474 0.489 -23.014 1.00 0.00 C ATOM 584 O ASP A 38 10.024 1.569 -23.398 1.00 0.00 O ATOM 585 CB ASP A 38 12.594 -0.465 -24.008 1.00 0.00 C ATOM 586 CG ASP A 38 11.758 -1.652 -24.453 1.00 0.00 C ATOM 587 OD1 ASP A 38 11.207 -2.353 -23.582 1.00 0.00 O ATOM 588 OD2 ASP A 38 11.659 -1.881 -25.677 1.00 0.00 O ATOM 0 H ASP A 38 12.820 -1.243 -21.665 1.00 0.00 H new ATOM 0 HA ASP A 38 12.433 1.291 -22.777 1.00 0.00 H new ATOM 0 HB2 ASP A 38 12.716 0.220 -24.847 1.00 0.00 H new ATOM 0 HB3 ASP A 38 13.590 -0.813 -23.734 1.00 0.00 H new ATOM 593 N ASP A 39 9.685 -0.547 -22.734 1.00 0.00 N ATOM 594 CA ASP A 39 8.231 -0.452 -22.867 1.00 0.00 C ATOM 595 C ASP A 39 7.574 -0.041 -21.553 1.00 0.00 C ATOM 596 O ASP A 39 6.387 0.280 -21.523 1.00 0.00 O ATOM 597 CB ASP A 39 7.625 -1.768 -23.346 1.00 0.00 C ATOM 598 CG ASP A 39 8.207 -2.972 -22.634 1.00 0.00 C ATOM 599 OD1 ASP A 39 8.592 -2.836 -21.453 1.00 0.00 O ATOM 600 OD2 ASP A 39 8.280 -4.051 -23.257 1.00 0.00 O ATOM 0 H ASP A 39 10.024 -1.455 -22.416 1.00 0.00 H new ATOM 0 HA ASP A 39 8.037 0.318 -23.614 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.546 -1.745 -23.190 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.790 -1.870 -24.419 1.00 0.00 H new ATOM 605 N HIS A 40 8.342 -0.053 -20.466 1.00 0.00 N ATOM 606 CA HIS A 40 7.815 0.321 -19.157 1.00 0.00 C ATOM 607 C HIS A 40 8.141 1.779 -18.868 1.00 0.00 C ATOM 608 O HIS A 40 7.251 2.626 -18.802 1.00 0.00 O ATOM 609 CB HIS A 40 8.408 -0.578 -18.068 1.00 0.00 C ATOM 610 CG HIS A 40 7.610 -1.822 -17.829 1.00 0.00 C ATOM 611 ND1 HIS A 40 6.281 -1.803 -17.457 1.00 0.00 N ATOM 612 CD2 HIS A 40 7.953 -3.129 -17.926 1.00 0.00 C ATOM 613 CE1 HIS A 40 5.842 -3.043 -17.336 1.00 0.00 C ATOM 614 NE2 HIS A 40 6.835 -3.866 -17.615 1.00 0.00 N ATOM 0 H HIS A 40 9.327 -0.317 -20.466 1.00 0.00 H new ATOM 0 HA HIS A 40 6.733 0.192 -19.162 1.00 0.00 H new ATOM 0 HB2 HIS A 40 9.424 -0.855 -18.348 1.00 0.00 H new ATOM 0 HB3 HIS A 40 8.476 -0.014 -17.138 1.00 0.00 H new ATOM 0 HD2 HIS A 40 8.923 -3.519 -18.197 1.00 0.00 H new ATOM 0 HE1 HIS A 40 4.840 -3.334 -17.056 1.00 0.00 H new ATOM 0 HE2 HIS A 40 6.782 -4.885 -17.602 1.00 0.00 H new ATOM 623 N ILE A 41 9.431 2.065 -18.716 1.00 0.00 N ATOM 624 CA ILE A 41 9.886 3.420 -18.460 1.00 0.00 C ATOM 625 C ILE A 41 9.954 4.205 -19.770 1.00 0.00 C ATOM 626 O ILE A 41 10.159 3.632 -20.840 1.00 0.00 O ATOM 627 CB ILE A 41 11.261 3.431 -17.747 1.00 0.00 C ATOM 628 CG1 ILE A 41 11.129 2.837 -16.342 1.00 0.00 C ATOM 629 CG2 ILE A 41 11.827 4.842 -17.664 1.00 0.00 C ATOM 630 CD1 ILE A 41 10.809 1.358 -16.332 1.00 0.00 C ATOM 0 H ILE A 41 10.178 1.372 -18.767 1.00 0.00 H new ATOM 0 HA ILE A 41 9.167 3.899 -17.795 1.00 0.00 H new ATOM 0 HB ILE A 41 11.950 2.823 -18.333 1.00 0.00 H new ATOM 0 HG12 ILE A 41 12.060 3.002 -15.799 1.00 0.00 H new ATOM 0 HG13 ILE A 41 10.347 3.372 -15.803 1.00 0.00 H new ATOM 0 HG21 ILE A 41 12.792 4.818 -17.159 1.00 0.00 H new ATOM 0 HG22 ILE A 41 11.954 5.243 -18.670 1.00 0.00 H new ATOM 0 HG23 ILE A 41 11.140 5.477 -17.104 1.00 0.00 H new ATOM 0 HD11 ILE A 41 10.731 1.010 -15.302 1.00 0.00 H new ATOM 0 HD12 ILE A 41 9.863 1.187 -16.846 1.00 0.00 H new ATOM 0 HD13 ILE A 41 11.602 0.811 -16.841 1.00 0.00 H new ATOM 642 N ALA A 42 9.752 5.512 -19.672 1.00 0.00 N ATOM 643 CA ALA A 42 9.766 6.386 -20.848 1.00 0.00 C ATOM 644 C ALA A 42 10.440 7.719 -20.554 1.00 0.00 C ATOM 645 O ALA A 42 10.778 8.024 -19.411 1.00 0.00 O ATOM 646 CB ALA A 42 8.346 6.626 -21.339 1.00 0.00 C ATOM 0 H ALA A 42 9.576 5.995 -18.791 1.00 0.00 H new ATOM 0 HA ALA A 42 10.343 5.882 -21.624 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.368 7.277 -22.213 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.888 5.674 -21.607 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.763 7.100 -20.549 1.00 0.00 H new ATOM 652 N ASN A 43 10.640 8.505 -21.608 1.00 0.00 N ATOM 653 CA ASN A 43 11.276 9.812 -21.489 1.00 0.00 C ATOM 654 C ASN A 43 10.273 10.920 -21.800 1.00 0.00 C ATOM 655 O ASN A 43 9.830 11.067 -22.939 1.00 0.00 O ATOM 656 CB ASN A 43 12.473 9.900 -22.436 1.00 0.00 C ATOM 657 CG ASN A 43 13.133 11.262 -22.416 1.00 0.00 C ATOM 658 OD1 ASN A 43 12.883 12.054 -23.451 1.00 0.00 O flip ATOM 659 ND2 ASN A 43 13.857 11.598 -21.479 1.00 0.00 N flip ATOM 0 H ASN A 43 10.369 8.257 -22.559 1.00 0.00 H new ATOM 0 HA ASN A 43 11.627 9.940 -20.465 1.00 0.00 H new ATOM 0 HB2 ASN A 43 13.206 9.141 -22.161 1.00 0.00 H new ATOM 0 HB3 ASN A 43 12.146 9.674 -23.451 1.00 0.00 H new ATOM 0 HD21 ASN A 43 14.020 10.955 -20.704 1.00 0.00 H new ATOM 0 HD22 ASN A 43 14.294 12.520 -21.477 1.00 0.00 H new ATOM 666 N ILE A 44 9.912 11.688 -20.779 1.00 0.00 N ATOM 667 CA ILE A 44 8.954 12.777 -20.933 1.00 0.00 C ATOM 668 C ILE A 44 9.631 14.143 -20.777 1.00 0.00 C ATOM 669 O ILE A 44 9.726 14.678 -19.672 1.00 0.00 O ATOM 670 CB ILE A 44 7.804 12.636 -19.916 1.00 0.00 C ATOM 671 CG1 ILE A 44 7.129 11.270 -20.075 1.00 0.00 C ATOM 672 CG2 ILE A 44 6.788 13.756 -20.088 1.00 0.00 C ATOM 673 CD1 ILE A 44 6.445 11.083 -21.412 1.00 0.00 C ATOM 0 H ILE A 44 10.270 11.576 -19.831 1.00 0.00 H new ATOM 0 HA ILE A 44 8.544 12.715 -21.941 1.00 0.00 H new ATOM 0 HB ILE A 44 8.219 12.710 -18.911 1.00 0.00 H new ATOM 0 HG12 ILE A 44 7.877 10.488 -19.947 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.395 11.142 -19.280 1.00 0.00 H new ATOM 0 HG21 ILE A 44 5.986 13.635 -19.360 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.277 14.718 -19.933 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.372 13.718 -21.095 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.990 10.093 -21.453 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.673 11.843 -21.535 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.179 11.178 -22.212 1.00 0.00 H new ATOM 685 N ASP A 45 10.105 14.696 -21.894 1.00 0.00 N ATOM 686 CA ASP A 45 10.781 15.996 -21.894 1.00 0.00 C ATOM 687 C ASP A 45 12.110 15.919 -21.150 1.00 0.00 C ATOM 688 O ASP A 45 12.490 16.847 -20.436 1.00 0.00 O ATOM 689 CB ASP A 45 9.896 17.072 -21.258 1.00 0.00 C ATOM 690 CG ASP A 45 10.341 18.475 -21.627 1.00 0.00 C ATOM 691 OD1 ASP A 45 11.204 19.031 -20.915 1.00 0.00 O ATOM 692 OD2 ASP A 45 9.828 19.016 -22.629 1.00 0.00 O ATOM 0 H ASP A 45 10.033 14.263 -22.815 1.00 0.00 H new ATOM 0 HA ASP A 45 10.974 16.266 -22.932 1.00 0.00 H new ATOM 0 HB2 ASP A 45 8.864 16.925 -21.576 1.00 0.00 H new ATOM 0 HB3 ASP A 45 9.915 16.961 -20.174 1.00 0.00 H new ATOM 697 N GLY A 46 12.818 14.811 -21.331 1.00 0.00 N ATOM 698 CA GLY A 46 14.100 14.638 -20.676 1.00 0.00 C ATOM 699 C GLY A 46 13.968 14.137 -19.248 1.00 0.00 C ATOM 700 O GLY A 46 14.964 14.027 -18.534 1.00 0.00 O ATOM 0 H GLY A 46 12.528 14.030 -21.919 1.00 0.00 H new ATOM 0 HA2 GLY A 46 14.704 13.934 -21.249 1.00 0.00 H new ATOM 0 HA3 GLY A 46 14.634 15.588 -20.675 1.00 0.00 H new ATOM 704 N THR A 47 12.742 13.822 -18.830 1.00 0.00 N ATOM 705 CA THR A 47 12.499 13.321 -17.481 1.00 0.00 C ATOM 706 C THR A 47 11.966 11.893 -17.529 1.00 0.00 C ATOM 707 O THR A 47 11.108 11.571 -18.351 1.00 0.00 O ATOM 708 CB THR A 47 11.502 14.221 -16.744 1.00 0.00 C ATOM 709 OG1 THR A 47 11.900 15.579 -16.814 1.00 0.00 O ATOM 710 CG2 THR A 47 11.343 13.864 -15.280 1.00 0.00 C ATOM 0 H THR A 47 11.904 13.905 -19.406 1.00 0.00 H new ATOM 0 HA THR A 47 13.446 13.327 -16.942 1.00 0.00 H new ATOM 0 HB THR A 47 10.548 14.065 -17.247 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.249 16.136 -16.339 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.623 14.539 -14.817 1.00 0.00 H new ATOM 0 HG22 THR A 47 10.986 12.838 -15.192 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.305 13.958 -14.776 1.00 0.00 H new ATOM 718 N LEU A 48 12.505 11.033 -16.671 1.00 0.00 N ATOM 719 CA LEU A 48 12.105 9.630 -16.658 1.00 0.00 C ATOM 720 C LEU A 48 10.760 9.437 -15.968 1.00 0.00 C ATOM 721 O LEU A 48 10.592 9.732 -14.784 1.00 0.00 O ATOM 722 CB LEU A 48 13.166 8.778 -15.957 1.00 0.00 C ATOM 723 CG LEU A 48 14.480 8.605 -16.720 1.00 0.00 C ATOM 724 CD1 LEU A 48 15.613 8.300 -15.753 1.00 0.00 C ATOM 725 CD2 LEU A 48 14.354 7.502 -17.759 1.00 0.00 C ATOM 0 H LEU A 48 13.214 11.280 -15.981 1.00 0.00 H new ATOM 0 HA LEU A 48 12.008 9.310 -17.695 1.00 0.00 H new ATOM 0 HB2 LEU A 48 13.385 9.226 -14.988 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.745 7.791 -15.764 1.00 0.00 H new ATOM 0 HG LEU A 48 14.706 9.537 -17.238 1.00 0.00 H new ATOM 0 HD11 LEU A 48 16.543 8.179 -16.309 1.00 0.00 H new ATOM 0 HD12 LEU A 48 15.718 9.122 -15.045 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.392 7.380 -15.212 1.00 0.00 H new ATOM 0 HD21 LEU A 48 15.299 7.394 -18.291 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.107 6.563 -17.264 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.566 7.758 -18.467 1.00 0.00 H new ATOM 737 N LYS A 49 9.810 8.926 -16.743 1.00 0.00 N ATOM 738 CA LYS A 49 8.461 8.661 -16.269 1.00 0.00 C ATOM 739 C LYS A 49 7.986 7.317 -16.811 1.00 0.00 C ATOM 740 O LYS A 49 8.564 6.788 -17.759 1.00 0.00 O ATOM 741 CB LYS A 49 7.509 9.779 -16.698 1.00 0.00 C ATOM 742 CG LYS A 49 7.823 11.122 -16.055 1.00 0.00 C ATOM 743 CD LYS A 49 6.565 11.952 -15.847 1.00 0.00 C ATOM 744 CE LYS A 49 6.870 13.441 -15.863 1.00 0.00 C ATOM 745 NZ LYS A 49 5.687 14.256 -15.469 1.00 0.00 N ATOM 0 H LYS A 49 9.957 8.683 -17.723 1.00 0.00 H new ATOM 0 HA LYS A 49 8.468 8.625 -15.180 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.551 9.885 -17.782 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.488 9.493 -16.445 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.316 10.960 -15.096 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.523 11.672 -16.684 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.841 11.720 -16.628 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.104 11.684 -14.896 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.697 13.649 -15.184 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.196 13.734 -16.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.937 15.265 -15.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.906 14.077 -16.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.391 13.995 -14.507 1.00 0.00 H new ATOM 759 N TRP A 50 6.941 6.762 -16.213 1.00 0.00 N ATOM 760 CA TRP A 50 6.419 5.472 -16.655 1.00 0.00 C ATOM 761 C TRP A 50 5.405 5.642 -17.787 1.00 0.00 C ATOM 762 O TRP A 50 4.391 6.323 -17.630 1.00 0.00 O ATOM 763 CB TRP A 50 5.804 4.718 -15.475 1.00 0.00 C ATOM 764 CG TRP A 50 6.854 4.098 -14.609 1.00 0.00 C ATOM 765 CD1 TRP A 50 7.566 2.966 -14.881 1.00 0.00 C ATOM 766 CD2 TRP A 50 7.336 4.582 -13.349 1.00 0.00 C ATOM 767 NE1 TRP A 50 8.467 2.723 -13.876 1.00 0.00 N ATOM 768 CE2 TRP A 50 8.342 3.696 -12.922 1.00 0.00 C ATOM 769 CE3 TRP A 50 7.021 5.678 -12.541 1.00 0.00 C ATOM 770 CZ2 TRP A 50 9.030 3.870 -11.728 1.00 0.00 C ATOM 771 CZ3 TRP A 50 7.708 5.846 -11.353 1.00 0.00 C ATOM 772 CH2 TRP A 50 8.702 4.947 -10.957 1.00 0.00 C ATOM 0 H TRP A 50 6.440 7.178 -15.428 1.00 0.00 H new ATOM 0 HA TRP A 50 7.249 4.884 -17.047 1.00 0.00 H new ATOM 0 HB2 TRP A 50 5.199 5.403 -14.881 1.00 0.00 H new ATOM 0 HB3 TRP A 50 5.134 3.943 -15.847 1.00 0.00 H new ATOM 0 HD1 TRP A 50 7.439 2.351 -15.760 1.00 0.00 H new ATOM 0 HE1 TRP A 50 9.124 1.943 -13.845 1.00 0.00 H new ATOM 0 HE3 TRP A 50 6.256 6.380 -12.839 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 9.799 3.176 -11.420 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 7.472 6.688 -10.719 1.00 0.00 H new ATOM 0 HH2 TRP A 50 9.220 5.108 -10.023 1.00 0.00 H new ATOM 783 N GLN A 51 5.696 5.024 -18.933 1.00 0.00 N ATOM 784 CA GLN A 51 4.825 5.110 -20.107 1.00 0.00 C ATOM 785 C GLN A 51 5.344 4.204 -21.227 1.00 0.00 C ATOM 786 O GLN A 51 6.552 4.071 -21.408 1.00 0.00 O ATOM 787 CB GLN A 51 4.762 6.560 -20.601 1.00 0.00 C ATOM 788 CG GLN A 51 3.938 6.745 -21.863 1.00 0.00 C ATOM 789 CD GLN A 51 4.152 8.102 -22.508 1.00 0.00 C ATOM 790 OE1 GLN A 51 4.611 8.098 -23.754 1.00 0.00 O flip ATOM 791 NE2 GLN A 51 3.908 9.140 -21.894 1.00 0.00 N flip ATOM 0 H GLN A 51 6.532 4.456 -19.073 1.00 0.00 H new ATOM 0 HA GLN A 51 3.825 4.779 -19.825 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.344 7.185 -19.811 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.776 6.915 -20.786 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.195 5.963 -22.578 1.00 0.00 H new ATOM 0 HG3 GLN A 51 2.882 6.624 -21.623 1.00 0.00 H new ATOM 0 HE21 GLN A 51 3.556 9.096 -20.938 1.00 0.00 H new ATOM 0 HE22 GLN A 51 4.057 10.044 -22.342 1.00 0.00 H new ATOM 800 N PRO A 52 4.442 3.557 -21.994 1.00 0.00 N ATOM 801 CA PRO A 52 4.840 2.658 -23.087 1.00 0.00 C ATOM 802 C PRO A 52 5.604 3.374 -24.201 1.00 0.00 C ATOM 803 O PRO A 52 5.123 3.505 -25.326 1.00 0.00 O ATOM 804 CB PRO A 52 3.515 2.099 -23.607 1.00 0.00 C ATOM 805 CG PRO A 52 2.486 3.084 -23.169 1.00 0.00 C ATOM 806 CD PRO A 52 2.976 3.631 -21.856 1.00 0.00 C ATOM 0 HA PRO A 52 5.527 1.888 -22.736 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.528 1.997 -24.692 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.315 1.109 -23.196 1.00 0.00 H new ATOM 0 HG2 PRO A 52 2.368 3.880 -23.905 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.512 2.608 -23.055 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.637 4.654 -21.693 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.619 3.039 -21.013 1.00 0.00 H new ATOM 814 N SER A 53 6.811 3.807 -23.863 1.00 0.00 N ATOM 815 CA SER A 53 7.709 4.488 -24.790 1.00 0.00 C ATOM 816 C SER A 53 9.129 4.363 -24.250 1.00 0.00 C ATOM 817 O SER A 53 9.356 4.573 -23.062 1.00 0.00 O ATOM 818 CB SER A 53 7.319 5.963 -24.954 1.00 0.00 C ATOM 819 OG SER A 53 6.986 6.548 -23.708 1.00 0.00 O ATOM 0 H SER A 53 7.200 3.695 -22.927 1.00 0.00 H new ATOM 0 HA SER A 53 7.640 4.027 -25.775 1.00 0.00 H new ATOM 0 HB2 SER A 53 8.145 6.512 -25.407 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.471 6.044 -25.634 1.00 0.00 H new ATOM 0 HG SER A 53 6.151 7.053 -23.797 1.00 0.00 H new ATOM 825 N ASN A 54 10.076 3.970 -25.094 1.00 0.00 N ATOM 826 CA ASN A 54 11.457 3.774 -24.638 1.00 0.00 C ATOM 827 C ASN A 54 12.228 5.085 -24.544 1.00 0.00 C ATOM 828 O ASN A 54 12.577 5.692 -25.557 1.00 0.00 O ATOM 829 CB ASN A 54 12.215 2.806 -25.553 1.00 0.00 C ATOM 830 CG ASN A 54 11.326 1.773 -26.224 1.00 0.00 C ATOM 831 OD1 ASN A 54 10.174 1.573 -25.840 1.00 0.00 O ATOM 832 ND2 ASN A 54 11.868 1.104 -27.235 1.00 0.00 N ATOM 0 H ASN A 54 9.922 3.782 -26.085 1.00 0.00 H new ATOM 0 HA ASN A 54 11.387 3.346 -23.638 1.00 0.00 H new ATOM 0 HB2 ASN A 54 12.734 3.379 -26.321 1.00 0.00 H new ATOM 0 HB3 ASN A 54 12.978 2.291 -24.969 1.00 0.00 H new ATOM 0 HD21 ASN A 54 11.325 0.393 -27.725 1.00 0.00 H new ATOM 0 HD22 ASN A 54 12.827 1.301 -27.521 1.00 0.00 H new ATOM 839 N PHE A 55 12.514 5.496 -23.312 1.00 0.00 N ATOM 840 CA PHE A 55 13.269 6.715 -23.052 1.00 0.00 C ATOM 841 C PHE A 55 14.529 6.774 -23.921 1.00 0.00 C ATOM 842 O PHE A 55 14.994 7.851 -24.294 1.00 0.00 O ATOM 843 CB PHE A 55 13.647 6.788 -21.566 1.00 0.00 C ATOM 844 CG PHE A 55 14.367 5.567 -21.059 1.00 0.00 C ATOM 845 CD1 PHE A 55 13.656 4.475 -20.585 1.00 0.00 C ATOM 846 CD2 PHE A 55 15.752 5.512 -21.054 1.00 0.00 C ATOM 847 CE1 PHE A 55 14.312 3.352 -20.120 1.00 0.00 C ATOM 848 CE2 PHE A 55 16.414 4.390 -20.589 1.00 0.00 C ATOM 849 CZ PHE A 55 15.692 3.309 -20.122 1.00 0.00 C ATOM 0 H PHE A 55 12.230 4.995 -22.470 1.00 0.00 H new ATOM 0 HA PHE A 55 12.642 7.570 -23.305 1.00 0.00 H new ATOM 0 HB2 PHE A 55 14.277 7.663 -21.404 1.00 0.00 H new ATOM 0 HB3 PHE A 55 12.741 6.934 -20.978 1.00 0.00 H new ATOM 0 HD1 PHE A 55 12.576 4.503 -20.579 1.00 0.00 H new ATOM 0 HD2 PHE A 55 16.321 6.355 -21.417 1.00 0.00 H new ATOM 0 HE1 PHE A 55 13.746 2.508 -19.755 1.00 0.00 H new ATOM 0 HE2 PHE A 55 17.494 4.359 -20.591 1.00 0.00 H new ATOM 0 HZ PHE A 55 16.206 2.431 -19.759 1.00 0.00 H new ATOM 859 N SER A 56 15.071 5.599 -24.236 1.00 0.00 N ATOM 860 CA SER A 56 16.286 5.487 -25.043 1.00 0.00 C ATOM 861 C SER A 56 16.221 6.312 -26.333 1.00 0.00 C ATOM 862 O SER A 56 17.254 6.602 -26.937 1.00 0.00 O ATOM 863 CB SER A 56 16.559 4.021 -25.383 1.00 0.00 C ATOM 864 OG SER A 56 15.454 3.435 -26.047 1.00 0.00 O ATOM 0 H SER A 56 14.684 4.703 -23.941 1.00 0.00 H new ATOM 0 HA SER A 56 17.101 5.890 -24.442 1.00 0.00 H new ATOM 0 HB2 SER A 56 17.445 3.950 -26.014 1.00 0.00 H new ATOM 0 HB3 SER A 56 16.773 3.467 -24.469 1.00 0.00 H new ATOM 0 HG SER A 56 15.656 2.499 -26.254 1.00 0.00 H new ATOM 870 N GLN A 57 15.016 6.684 -26.759 1.00 0.00 N ATOM 871 CA GLN A 57 14.854 7.462 -27.984 1.00 0.00 C ATOM 872 C GLN A 57 15.564 8.811 -27.871 1.00 0.00 C ATOM 873 O GLN A 57 16.027 9.361 -28.871 1.00 0.00 O ATOM 874 CB GLN A 57 13.367 7.677 -28.288 1.00 0.00 C ATOM 875 CG GLN A 57 12.621 6.397 -28.632 1.00 0.00 C ATOM 876 CD GLN A 57 12.951 5.875 -30.017 1.00 0.00 C ATOM 877 OE1 GLN A 57 13.594 6.557 -30.815 1.00 0.00 O ATOM 878 NE2 GLN A 57 12.511 4.656 -30.310 1.00 0.00 N ATOM 0 H GLN A 57 14.144 6.461 -26.278 1.00 0.00 H new ATOM 0 HA GLN A 57 15.306 6.901 -28.802 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.892 8.142 -27.424 1.00 0.00 H new ATOM 0 HB3 GLN A 57 13.273 8.376 -29.119 1.00 0.00 H new ATOM 0 HG2 GLN A 57 12.863 5.632 -27.894 1.00 0.00 H new ATOM 0 HG3 GLN A 57 11.548 6.578 -28.564 1.00 0.00 H new ATOM 0 HE21 GLN A 57 11.981 4.125 -29.619 1.00 0.00 H new ATOM 0 HE22 GLN A 57 12.703 4.251 -31.226 1.00 0.00 H new ATOM 887 N THR A 58 15.661 9.335 -26.652 1.00 0.00 N ATOM 888 CA THR A 58 16.327 10.615 -26.427 1.00 0.00 C ATOM 889 C THR A 58 17.391 10.510 -25.331 1.00 0.00 C ATOM 890 O THR A 58 18.029 11.504 -24.989 1.00 0.00 O ATOM 891 CB THR A 58 15.316 11.690 -26.018 1.00 0.00 C ATOM 892 OG1 THR A 58 15.010 11.580 -24.641 1.00 0.00 O ATOM 893 CG2 THR A 58 14.008 11.625 -26.773 1.00 0.00 C ATOM 0 H THR A 58 15.289 8.896 -25.809 1.00 0.00 H new ATOM 0 HA THR A 58 16.805 10.891 -27.367 1.00 0.00 H new ATOM 0 HB THR A 58 15.801 12.637 -26.256 1.00 0.00 H new ATOM 0 HG1 THR A 58 14.161 12.033 -24.457 1.00 0.00 H new ATOM 0 HG21 THR A 58 13.347 12.419 -26.425 1.00 0.00 H new ATOM 0 HG22 THR A 58 14.197 11.751 -27.839 1.00 0.00 H new ATOM 0 HG23 THR A 58 13.536 10.658 -26.600 1.00 0.00 H new ATOM 901 N CYS A 59 17.564 9.320 -24.760 1.00 0.00 N ATOM 902 CA CYS A 59 18.537 9.138 -23.690 1.00 0.00 C ATOM 903 C CYS A 59 19.696 8.243 -24.109 1.00 0.00 C ATOM 904 O CYS A 59 19.541 7.332 -24.921 1.00 0.00 O ATOM 905 CB CYS A 59 17.866 8.554 -22.446 1.00 0.00 C ATOM 906 SG CYS A 59 16.239 9.279 -22.065 1.00 0.00 S ATOM 0 H CYS A 59 17.049 8.478 -25.017 1.00 0.00 H new ATOM 0 HA CYS A 59 18.940 10.124 -23.461 1.00 0.00 H new ATOM 0 HB2 CYS A 59 17.749 7.479 -22.581 1.00 0.00 H new ATOM 0 HB3 CYS A 59 18.525 8.698 -21.590 1.00 0.00 H new ATOM 911 N TYR A 60 20.864 8.531 -23.542 1.00 0.00 N ATOM 912 CA TYR A 60 22.081 7.778 -23.826 1.00 0.00 C ATOM 913 C TYR A 60 22.905 7.623 -22.548 1.00 0.00 C ATOM 914 O TYR A 60 22.739 8.389 -21.597 1.00 0.00 O ATOM 915 CB TYR A 60 22.904 8.480 -24.907 1.00 0.00 C ATOM 916 CG TYR A 60 23.319 9.884 -24.530 1.00 0.00 C ATOM 917 CD1 TYR A 60 22.443 10.951 -24.682 1.00 0.00 C ATOM 918 CD2 TYR A 60 24.582 10.139 -24.019 1.00 0.00 C ATOM 919 CE1 TYR A 60 22.817 12.233 -24.333 1.00 0.00 C ATOM 920 CE2 TYR A 60 24.964 11.419 -23.669 1.00 0.00 C ATOM 921 CZ TYR A 60 24.077 12.461 -23.828 1.00 0.00 C ATOM 922 OH TYR A 60 24.453 13.737 -23.478 1.00 0.00 O ATOM 0 H TYR A 60 20.993 9.291 -22.874 1.00 0.00 H new ATOM 0 HA TYR A 60 21.806 6.789 -24.193 1.00 0.00 H new ATOM 0 HB2 TYR A 60 23.796 7.889 -25.115 1.00 0.00 H new ATOM 0 HB3 TYR A 60 22.324 8.516 -25.829 1.00 0.00 H new ATOM 0 HD1 TYR A 60 21.454 10.775 -25.079 1.00 0.00 H new ATOM 0 HD2 TYR A 60 25.279 9.323 -23.893 1.00 0.00 H new ATOM 0 HE1 TYR A 60 22.125 13.053 -24.456 1.00 0.00 H new ATOM 0 HE2 TYR A 60 25.952 11.602 -23.273 1.00 0.00 H new ATOM 0 HH TYR A 60 23.904 14.385 -23.967 1.00 0.00 H new ATOM 932 N ASN A 61 23.767 6.613 -22.520 1.00 0.00 N ATOM 933 CA ASN A 61 24.594 6.347 -21.347 1.00 0.00 C ATOM 934 C ASN A 61 23.720 5.971 -20.157 1.00 0.00 C ATOM 935 O ASN A 61 23.920 6.459 -19.044 1.00 0.00 O ATOM 936 CB ASN A 61 25.457 7.563 -21.004 1.00 0.00 C ATOM 937 CG ASN A 61 26.424 7.908 -22.117 1.00 0.00 C ATOM 938 OD1 ASN A 61 26.288 7.428 -23.242 1.00 0.00 O ATOM 939 ND2 ASN A 61 27.412 8.741 -21.810 1.00 0.00 N ATOM 0 H ASN A 61 23.912 5.965 -23.294 1.00 0.00 H new ATOM 0 HA ASN A 61 25.254 5.511 -21.578 1.00 0.00 H new ATOM 0 HB2 ASN A 61 24.813 8.420 -20.806 1.00 0.00 H new ATOM 0 HB3 ASN A 61 26.015 7.365 -20.089 1.00 0.00 H new ATOM 0 HD21 ASN A 61 28.095 9.006 -22.520 1.00 0.00 H new ATOM 0 HD22 ASN A 61 27.488 9.116 -20.864 1.00 0.00 H new ATOM 946 N SER A 62 22.746 5.102 -20.407 1.00 0.00 N ATOM 947 CA SER A 62 21.839 4.650 -19.364 1.00 0.00 C ATOM 948 C SER A 62 22.574 3.770 -18.363 1.00 0.00 C ATOM 949 O SER A 62 23.391 2.930 -18.740 1.00 0.00 O ATOM 950 CB SER A 62 20.658 3.891 -19.974 1.00 0.00 C ATOM 951 OG SER A 62 19.701 4.784 -20.518 1.00 0.00 O ATOM 0 H SER A 62 22.566 4.697 -21.326 1.00 0.00 H new ATOM 0 HA SER A 62 21.455 5.525 -18.839 1.00 0.00 H new ATOM 0 HB2 SER A 62 21.017 3.220 -20.754 1.00 0.00 H new ATOM 0 HB3 SER A 62 20.188 3.270 -19.211 1.00 0.00 H new ATOM 0 HG SER A 62 19.315 4.395 -21.331 1.00 0.00 H new ATOM 957 N ALA A 63 22.278 3.977 -17.086 1.00 0.00 N ATOM 958 CA ALA A 63 22.911 3.213 -16.020 1.00 0.00 C ATOM 959 C ALA A 63 21.948 2.959 -14.866 1.00 0.00 C ATOM 960 O ALA A 63 21.018 3.732 -14.641 1.00 0.00 O ATOM 961 CB ALA A 63 24.145 3.949 -15.524 1.00 0.00 C ATOM 0 H ALA A 63 21.602 4.669 -16.764 1.00 0.00 H new ATOM 0 HA ALA A 63 23.204 2.244 -16.424 1.00 0.00 H new ATOM 0 HB1 ALA A 63 24.616 3.374 -14.726 1.00 0.00 H new ATOM 0 HB2 ALA A 63 24.850 4.073 -16.346 1.00 0.00 H new ATOM 0 HB3 ALA A 63 23.856 4.928 -15.143 1.00 0.00 H new ATOM 967 N ILE A 64 22.175 1.875 -14.131 1.00 0.00 N ATOM 968 CA ILE A 64 21.320 1.540 -13.001 1.00 0.00 C ATOM 969 C ILE A 64 22.138 1.260 -11.743 1.00 0.00 C ATOM 970 O ILE A 64 23.181 0.611 -11.793 1.00 0.00 O ATOM 971 CB ILE A 64 20.406 0.340 -13.326 1.00 0.00 C ATOM 972 CG1 ILE A 64 19.316 0.797 -14.295 1.00 0.00 C ATOM 973 CG2 ILE A 64 19.783 -0.242 -12.059 1.00 0.00 C ATOM 974 CD1 ILE A 64 18.315 -0.275 -14.643 1.00 0.00 C ATOM 0 H ILE A 64 22.938 1.219 -14.297 1.00 0.00 H new ATOM 0 HA ILE A 64 20.690 2.408 -12.808 1.00 0.00 H new ATOM 0 HB ILE A 64 21.004 -0.447 -13.786 1.00 0.00 H new ATOM 0 HG12 ILE A 64 18.788 1.644 -13.858 1.00 0.00 H new ATOM 0 HG13 ILE A 64 19.786 1.153 -15.212 1.00 0.00 H new ATOM 0 HG21 ILE A 64 19.145 -1.086 -12.322 1.00 0.00 H new ATOM 0 HG22 ILE A 64 20.572 -0.580 -11.387 1.00 0.00 H new ATOM 0 HG23 ILE A 64 19.187 0.523 -11.562 1.00 0.00 H new ATOM 0 HD11 ILE A 64 17.575 0.129 -15.334 1.00 0.00 H new ATOM 0 HD12 ILE A 64 18.829 -1.115 -15.111 1.00 0.00 H new ATOM 0 HD13 ILE A 64 17.816 -0.615 -13.736 1.00 0.00 H new ATOM 986 N GLN A 65 21.635 1.752 -10.616 1.00 0.00 N ATOM 987 CA GLN A 65 22.283 1.565 -9.323 1.00 0.00 C ATOM 988 C GLN A 65 21.243 1.133 -8.301 1.00 0.00 C ATOM 989 O GLN A 65 20.386 1.921 -7.902 1.00 0.00 O ATOM 990 CB GLN A 65 22.960 2.861 -8.872 1.00 0.00 C ATOM 991 CG GLN A 65 24.091 3.303 -9.785 1.00 0.00 C ATOM 992 CD GLN A 65 25.400 2.612 -9.462 1.00 0.00 C ATOM 993 OE1 GLN A 65 26.257 3.168 -8.775 1.00 0.00 O ATOM 994 NE2 GLN A 65 25.561 1.390 -9.956 1.00 0.00 N ATOM 0 H GLN A 65 20.769 2.290 -10.573 1.00 0.00 H new ATOM 0 HA GLN A 65 23.048 0.794 -9.412 1.00 0.00 H new ATOM 0 HB2 GLN A 65 22.213 3.653 -8.822 1.00 0.00 H new ATOM 0 HB3 GLN A 65 23.350 2.726 -7.863 1.00 0.00 H new ATOM 0 HG2 GLN A 65 23.820 3.096 -10.820 1.00 0.00 H new ATOM 0 HG3 GLN A 65 24.222 4.382 -9.700 1.00 0.00 H new ATOM 0 HE21 GLN A 65 24.824 0.967 -10.521 1.00 0.00 H new ATOM 0 HE22 GLN A 65 26.421 0.874 -9.771 1.00 0.00 H new ATOM 1003 N GLY A 66 21.300 -0.133 -7.905 1.00 0.00 N ATOM 1004 CA GLY A 66 20.328 -0.646 -6.963 1.00 0.00 C ATOM 1005 C GLY A 66 18.955 -0.709 -7.596 1.00 0.00 C ATOM 1006 O GLY A 66 18.761 -1.410 -8.590 1.00 0.00 O ATOM 0 H GLY A 66 21.998 -0.808 -8.218 1.00 0.00 H new ATOM 0 HA2 GLY A 66 20.626 -1.640 -6.629 1.00 0.00 H new ATOM 0 HA3 GLY A 66 20.298 -0.008 -6.079 1.00 0.00 H new ATOM 1010 N SER A 67 17.995 0.009 -7.026 1.00 0.00 N ATOM 1011 CA SER A 67 16.638 0.011 -7.557 1.00 0.00 C ATOM 1012 C SER A 67 16.338 1.284 -8.348 1.00 0.00 C ATOM 1013 O SER A 67 15.255 1.419 -8.918 1.00 0.00 O ATOM 1014 CB SER A 67 15.631 -0.134 -6.417 1.00 0.00 C ATOM 1015 OG SER A 67 15.418 1.106 -5.765 1.00 0.00 O ATOM 0 H SER A 67 18.130 0.594 -6.201 1.00 0.00 H new ATOM 0 HA SER A 67 16.551 -0.835 -8.238 1.00 0.00 H new ATOM 0 HB2 SER A 67 14.686 -0.510 -6.808 1.00 0.00 H new ATOM 0 HB3 SER A 67 15.994 -0.869 -5.698 1.00 0.00 H new ATOM 0 HG SER A 67 14.592 1.514 -6.100 1.00 0.00 H new ATOM 1021 N VAL A 68 17.292 2.215 -8.392 1.00 0.00 N ATOM 1022 CA VAL A 68 17.099 3.467 -9.122 1.00 0.00 C ATOM 1023 C VAL A 68 17.821 3.460 -10.471 1.00 0.00 C ATOM 1024 O VAL A 68 18.954 2.989 -10.584 1.00 0.00 O ATOM 1025 CB VAL A 68 17.579 4.684 -8.303 1.00 0.00 C ATOM 1026 CG1 VAL A 68 17.079 5.977 -8.931 1.00 0.00 C ATOM 1027 CG2 VAL A 68 17.113 4.576 -6.858 1.00 0.00 C ATOM 0 H VAL A 68 18.199 2.127 -7.934 1.00 0.00 H new ATOM 0 HA VAL A 68 16.026 3.552 -9.296 1.00 0.00 H new ATOM 0 HB VAL A 68 18.669 4.695 -8.310 1.00 0.00 H new ATOM 0 HG11 VAL A 68 17.426 6.826 -8.342 1.00 0.00 H new ATOM 0 HG12 VAL A 68 17.463 6.060 -9.948 1.00 0.00 H new ATOM 0 HG13 VAL A 68 15.989 5.973 -8.954 1.00 0.00 H new ATOM 0 HG21 VAL A 68 17.462 5.443 -6.297 1.00 0.00 H new ATOM 0 HG22 VAL A 68 16.024 4.539 -6.829 1.00 0.00 H new ATOM 0 HG23 VAL A 68 17.519 3.668 -6.412 1.00 0.00 H new ATOM 1037 N LEU A 69 17.151 3.993 -11.489 1.00 0.00 N ATOM 1038 CA LEU A 69 17.707 4.067 -12.838 1.00 0.00 C ATOM 1039 C LEU A 69 18.249 5.467 -13.129 1.00 0.00 C ATOM 1040 O LEU A 69 17.544 6.467 -12.974 1.00 0.00 O ATOM 1041 CB LEU A 69 16.628 3.676 -13.859 1.00 0.00 C ATOM 1042 CG LEU A 69 16.844 4.172 -15.294 1.00 0.00 C ATOM 1043 CD1 LEU A 69 18.251 3.861 -15.776 1.00 0.00 C ATOM 1044 CD2 LEU A 69 15.807 3.564 -16.228 1.00 0.00 C ATOM 0 H LEU A 69 16.213 4.384 -11.404 1.00 0.00 H new ATOM 0 HA LEU A 69 18.540 3.369 -12.916 1.00 0.00 H new ATOM 0 HB2 LEU A 69 16.553 2.589 -13.880 1.00 0.00 H new ATOM 0 HB3 LEU A 69 15.669 4.055 -13.506 1.00 0.00 H new ATOM 0 HG LEU A 69 16.723 5.255 -15.300 1.00 0.00 H new ATOM 0 HD11 LEU A 69 18.375 4.224 -16.796 1.00 0.00 H new ATOM 0 HD12 LEU A 69 18.975 4.352 -15.126 1.00 0.00 H new ATOM 0 HD13 LEU A 69 18.414 2.783 -15.752 1.00 0.00 H new ATOM 0 HD21 LEU A 69 15.974 3.926 -17.242 1.00 0.00 H new ATOM 0 HD22 LEU A 69 15.895 2.478 -16.211 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.808 3.852 -15.900 1.00 0.00 H new ATOM 1056 N THR A 70 19.514 5.533 -13.546 1.00 0.00 N ATOM 1057 CA THR A 70 20.160 6.803 -13.859 1.00 0.00 C ATOM 1058 C THR A 70 20.544 6.850 -15.335 1.00 0.00 C ATOM 1059 O THR A 70 21.240 5.964 -15.829 1.00 0.00 O ATOM 1060 CB THR A 70 21.419 6.977 -13.006 1.00 0.00 C ATOM 1061 OG1 THR A 70 21.199 6.538 -11.677 1.00 0.00 O ATOM 1062 CG2 THR A 70 21.913 8.405 -12.945 1.00 0.00 C ATOM 0 H THR A 70 20.112 4.717 -13.674 1.00 0.00 H new ATOM 0 HA THR A 70 19.459 7.609 -13.642 1.00 0.00 H new ATOM 0 HB THR A 70 22.179 6.369 -13.497 1.00 0.00 H new ATOM 0 HG1 THR A 70 22.018 6.658 -11.153 1.00 0.00 H new ATOM 0 HG21 THR A 70 22.807 8.454 -12.324 1.00 0.00 H new ATOM 0 HG22 THR A 70 22.150 8.751 -13.951 1.00 0.00 H new ATOM 0 HG23 THR A 70 21.138 9.040 -12.516 1.00 0.00 H new ATOM 1070 N SER A 71 20.078 7.873 -16.044 1.00 0.00 N ATOM 1071 CA SER A 71 20.375 8.003 -17.469 1.00 0.00 C ATOM 1072 C SER A 71 20.361 9.461 -17.918 1.00 0.00 C ATOM 1073 O SER A 71 19.662 10.288 -17.334 1.00 0.00 O ATOM 1074 CB SER A 71 19.376 7.194 -18.296 1.00 0.00 C ATOM 1075 OG SER A 71 19.543 7.445 -19.681 1.00 0.00 O ATOM 0 H SER A 71 19.498 8.619 -15.661 1.00 0.00 H new ATOM 0 HA SER A 71 21.379 7.612 -17.631 1.00 0.00 H new ATOM 0 HB2 SER A 71 19.510 6.131 -18.097 1.00 0.00 H new ATOM 0 HB3 SER A 71 18.359 7.449 -17.996 1.00 0.00 H new ATOM 0 HG SER A 71 19.622 6.594 -20.161 1.00 0.00 H new ATOM 1081 N THR A 72 21.105 9.768 -18.981 1.00 0.00 N ATOM 1082 CA THR A 72 21.124 11.120 -19.518 1.00 0.00 C ATOM 1083 C THR A 72 20.080 11.218 -20.628 1.00 0.00 C ATOM 1084 O THR A 72 20.076 10.409 -21.558 1.00 0.00 O ATOM 1085 CB THR A 72 22.515 11.468 -20.058 1.00 0.00 C ATOM 1086 OG1 THR A 72 23.521 11.102 -19.130 1.00 0.00 O ATOM 1087 CG2 THR A 72 22.690 12.941 -20.363 1.00 0.00 C ATOM 0 H THR A 72 21.696 9.103 -19.480 1.00 0.00 H new ATOM 0 HA THR A 72 20.889 11.831 -18.726 1.00 0.00 H new ATOM 0 HB THR A 72 22.610 10.906 -20.987 1.00 0.00 H new ATOM 0 HG1 THR A 72 24.401 11.331 -19.495 1.00 0.00 H new ATOM 0 HG21 THR A 72 23.697 13.117 -20.741 1.00 0.00 H new ATOM 0 HG22 THR A 72 21.962 13.246 -21.114 1.00 0.00 H new ATOM 0 HG23 THR A 72 22.538 13.522 -19.453 1.00 0.00 H new ATOM 1095 N CYS A 73 19.176 12.188 -20.524 1.00 0.00 N ATOM 1096 CA CYS A 73 18.118 12.332 -21.519 1.00 0.00 C ATOM 1097 C CYS A 73 18.079 13.720 -22.139 1.00 0.00 C ATOM 1098 O CYS A 73 18.280 14.728 -21.465 1.00 0.00 O ATOM 1099 CB CYS A 73 16.759 12.023 -20.892 1.00 0.00 C ATOM 1100 SG CYS A 73 16.565 10.298 -20.342 1.00 0.00 S ATOM 0 H CYS A 73 19.154 12.877 -19.772 1.00 0.00 H new ATOM 0 HA CYS A 73 18.339 11.621 -22.315 1.00 0.00 H new ATOM 0 HB2 CYS A 73 16.607 12.684 -20.039 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.977 12.252 -21.616 1.00 0.00 H new ATOM 1105 N GLU A 74 17.757 13.752 -23.428 1.00 0.00 N ATOM 1106 CA GLU A 74 17.639 15.003 -24.167 1.00 0.00 C ATOM 1107 C GLU A 74 16.353 15.740 -23.790 1.00 0.00 C ATOM 1108 O GLU A 74 15.289 15.129 -23.690 1.00 0.00 O ATOM 1109 CB GLU A 74 17.664 14.732 -25.674 1.00 0.00 C ATOM 1110 CG GLU A 74 18.170 15.906 -26.497 1.00 0.00 C ATOM 1111 CD GLU A 74 17.943 15.714 -27.983 1.00 0.00 C ATOM 1112 OE1 GLU A 74 18.289 14.631 -28.501 1.00 0.00 O ATOM 1113 OE2 GLU A 74 17.415 16.645 -28.627 1.00 0.00 O ATOM 0 H GLU A 74 17.572 12.918 -23.986 1.00 0.00 H new ATOM 0 HA GLU A 74 18.488 15.634 -23.904 1.00 0.00 H new ATOM 0 HB2 GLU A 74 18.295 13.865 -25.868 1.00 0.00 H new ATOM 0 HB3 GLU A 74 16.658 14.474 -26.005 1.00 0.00 H new ATOM 0 HG2 GLU A 74 17.668 16.817 -26.171 1.00 0.00 H new ATOM 0 HG3 GLU A 74 19.235 16.044 -26.310 1.00 0.00 H new ATOM 1120 N ARG A 75 16.449 17.050 -23.586 1.00 0.00 N ATOM 1121 CA ARG A 75 15.282 17.850 -23.227 1.00 0.00 C ATOM 1122 C ARG A 75 14.612 18.418 -24.477 1.00 0.00 C ATOM 1123 O ARG A 75 15.286 18.789 -25.437 1.00 0.00 O ATOM 1124 CB ARG A 75 15.683 18.987 -22.284 1.00 0.00 C ATOM 1125 CG ARG A 75 16.699 18.573 -21.230 1.00 0.00 C ATOM 1126 CD ARG A 75 17.198 19.769 -20.431 1.00 0.00 C ATOM 1127 NE ARG A 75 18.545 20.174 -20.834 1.00 0.00 N ATOM 1128 CZ ARG A 75 19.065 21.376 -20.591 1.00 0.00 C ATOM 1129 NH1 ARG A 75 18.374 22.284 -19.911 1.00 0.00 N ATOM 1130 NH2 ARG A 75 20.284 21.669 -21.021 1.00 0.00 N ATOM 0 H ARG A 75 17.318 17.579 -23.662 1.00 0.00 H new ATOM 0 HA ARG A 75 14.570 17.203 -22.715 1.00 0.00 H new ATOM 0 HB2 ARG A 75 16.095 19.807 -22.872 1.00 0.00 H new ATOM 0 HB3 ARG A 75 14.791 19.368 -21.787 1.00 0.00 H new ATOM 0 HG2 ARG A 75 16.248 17.846 -20.554 1.00 0.00 H new ATOM 0 HG3 ARG A 75 17.543 18.079 -21.712 1.00 0.00 H new ATOM 0 HD2 ARG A 75 16.513 20.606 -20.565 1.00 0.00 H new ATOM 0 HD3 ARG A 75 17.196 19.522 -19.369 1.00 0.00 H new ATOM 0 HE ARG A 75 19.121 19.495 -21.331 1.00 0.00 H new ATOM 0 HH11 ARG A 75 17.438 22.063 -19.571 1.00 0.00 H new ATOM 0 HH12 ARG A 75 18.779 23.202 -19.729 1.00 0.00 H new ATOM 0 HH21 ARG A 75 20.823 20.974 -21.538 1.00 0.00 H new ATOM 0 HH22 ARG A 75 20.683 22.589 -20.835 1.00 0.00 H new ATOM 1144 N THR A 76 13.282 18.470 -24.466 1.00 0.00 N ATOM 1145 CA THR A 76 12.520 18.979 -25.607 1.00 0.00 C ATOM 1146 C THR A 76 13.017 20.355 -26.050 1.00 0.00 C ATOM 1147 O THR A 76 12.885 20.723 -27.218 1.00 0.00 O ATOM 1148 CB THR A 76 11.033 19.051 -25.251 1.00 0.00 C ATOM 1149 OG1 THR A 76 10.592 17.824 -24.696 1.00 0.00 O ATOM 1150 CG2 THR A 76 10.144 19.367 -26.435 1.00 0.00 C ATOM 0 H THR A 76 12.708 18.166 -23.680 1.00 0.00 H new ATOM 0 HA THR A 76 12.665 18.289 -26.438 1.00 0.00 H new ATOM 0 HB THR A 76 10.949 19.865 -24.531 1.00 0.00 H new ATOM 0 HG1 THR A 76 9.932 18.001 -23.994 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.104 19.402 -26.110 1.00 0.00 H new ATOM 0 HG22 THR A 76 10.426 20.333 -26.854 1.00 0.00 H new ATOM 0 HG23 THR A 76 10.261 18.594 -27.194 1.00 0.00 H new ATOM 1158 N ASN A 77 13.591 21.111 -25.118 1.00 0.00 N ATOM 1159 CA ASN A 77 14.108 22.443 -25.427 1.00 0.00 C ATOM 1160 C ASN A 77 15.512 22.368 -26.025 1.00 0.00 C ATOM 1161 O ASN A 77 16.133 23.393 -26.305 1.00 0.00 O ATOM 1162 CB ASN A 77 14.129 23.311 -24.167 1.00 0.00 C ATOM 1163 CG ASN A 77 13.775 24.756 -24.454 1.00 0.00 C ATOM 1164 OD1 ASN A 77 13.131 25.062 -25.458 1.00 0.00 O ATOM 1165 ND2 ASN A 77 14.196 25.655 -23.572 1.00 0.00 N ATOM 0 H ASN A 77 13.710 20.826 -24.146 1.00 0.00 H new ATOM 0 HA ASN A 77 13.444 22.894 -26.165 1.00 0.00 H new ATOM 0 HB2 ASN A 77 13.427 22.906 -23.438 1.00 0.00 H new ATOM 0 HB3 ASN A 77 15.120 23.266 -23.714 1.00 0.00 H new ATOM 0 HD21 ASN A 77 13.988 26.644 -23.713 1.00 0.00 H new ATOM 0 HD22 ASN A 77 14.727 25.357 -22.754 1.00 0.00 H new ATOM 1172 N GLY A 78 16.010 21.150 -26.218 1.00 0.00 N ATOM 1173 CA GLY A 78 17.333 20.970 -26.778 1.00 0.00 C ATOM 1174 C GLY A 78 18.407 20.897 -25.716 1.00 0.00 C ATOM 1175 O GLY A 78 18.403 21.663 -24.753 1.00 0.00 O ATOM 0 H GLY A 78 15.518 20.285 -25.995 1.00 0.00 H new ATOM 0 HA2 GLY A 78 17.351 20.056 -27.372 1.00 0.00 H new ATOM 0 HA3 GLY A 78 17.552 21.795 -27.456 1.00 0.00 H new ATOM 1179 N GLY A 79 19.306 19.948 -25.888 1.00 0.00 N ATOM 1180 CA GLY A 79 20.377 19.737 -24.933 1.00 0.00 C ATOM 1181 C GLY A 79 20.245 18.385 -24.266 1.00 0.00 C ATOM 1182 O GLY A 79 19.442 17.566 -24.706 1.00 0.00 O ATOM 0 H GLY A 79 19.316 19.309 -26.683 1.00 0.00 H new ATOM 0 HA2 GLY A 79 21.340 19.805 -25.439 1.00 0.00 H new ATOM 0 HA3 GLY A 79 20.357 20.523 -24.178 1.00 0.00 H new ATOM 1186 N TYR A 80 21.035 18.136 -23.224 1.00 0.00 N ATOM 1187 CA TYR A 80 20.985 16.850 -22.526 1.00 0.00 C ATOM 1188 C TYR A 80 20.903 17.036 -21.011 1.00 0.00 C ATOM 1189 O TYR A 80 21.507 17.953 -20.452 1.00 0.00 O ATOM 1190 CB TYR A 80 22.217 16.015 -22.886 1.00 0.00 C ATOM 1191 CG TYR A 80 22.454 15.907 -24.377 1.00 0.00 C ATOM 1192 CD1 TYR A 80 21.436 15.503 -25.229 1.00 0.00 C ATOM 1193 CD2 TYR A 80 23.689 16.218 -24.932 1.00 0.00 C ATOM 1194 CE1 TYR A 80 21.640 15.413 -26.591 1.00 0.00 C ATOM 1195 CE2 TYR A 80 23.901 16.129 -26.294 1.00 0.00 C ATOM 1196 CZ TYR A 80 22.873 15.727 -27.119 1.00 0.00 C ATOM 1197 OH TYR A 80 23.078 15.638 -28.477 1.00 0.00 O ATOM 0 H TYR A 80 21.712 18.799 -22.846 1.00 0.00 H new ATOM 0 HA TYR A 80 20.084 16.328 -22.847 1.00 0.00 H new ATOM 0 HB2 TYR A 80 23.096 16.457 -22.417 1.00 0.00 H new ATOM 0 HB3 TYR A 80 22.103 15.014 -22.470 1.00 0.00 H new ATOM 0 HD1 TYR A 80 20.468 15.255 -24.820 1.00 0.00 H new ATOM 0 HD2 TYR A 80 24.496 16.534 -24.288 1.00 0.00 H new ATOM 0 HE1 TYR A 80 20.836 15.098 -27.240 1.00 0.00 H new ATOM 0 HE2 TYR A 80 24.867 16.373 -26.710 1.00 0.00 H new ATOM 0 HH TYR A 80 24.000 15.895 -28.686 1.00 0.00 H new ATOM 1207 N ASN A 81 20.140 16.162 -20.354 1.00 0.00 N ATOM 1208 CA ASN A 81 19.964 16.220 -18.907 1.00 0.00 C ATOM 1209 C ASN A 81 19.626 14.839 -18.355 1.00 0.00 C ATOM 1210 O ASN A 81 18.739 14.153 -18.863 1.00 0.00 O ATOM 1211 CB ASN A 81 18.862 17.212 -18.536 1.00 0.00 C ATOM 1212 CG ASN A 81 18.859 17.547 -17.057 1.00 0.00 C ATOM 1213 OD1 ASN A 81 19.860 18.010 -16.511 1.00 0.00 O ATOM 1214 ND2 ASN A 81 17.729 17.312 -16.400 1.00 0.00 N ATOM 0 H ASN A 81 19.632 15.402 -20.806 1.00 0.00 H new ATOM 0 HA ASN A 81 20.901 16.558 -18.465 1.00 0.00 H new ATOM 0 HB2 ASN A 81 18.992 18.128 -19.113 1.00 0.00 H new ATOM 0 HB3 ASN A 81 17.894 16.795 -18.813 1.00 0.00 H new ATOM 0 HD21 ASN A 81 17.667 17.516 -15.403 1.00 0.00 H new ATOM 0 HD22 ASN A 81 16.923 16.927 -16.893 1.00 0.00 H new ATOM 1221 N THR A 82 20.352 14.436 -17.321 1.00 0.00 N ATOM 1222 CA THR A 82 20.154 13.133 -16.692 1.00 0.00 C ATOM 1223 C THR A 82 19.167 13.211 -15.534 1.00 0.00 C ATOM 1224 O THR A 82 19.233 14.120 -14.706 1.00 0.00 O ATOM 1225 CB THR A 82 21.485 12.556 -16.215 1.00 0.00 C ATOM 1226 OG1 THR A 82 21.275 11.394 -15.434 1.00 0.00 O ATOM 1227 CG2 THR A 82 22.292 13.525 -15.387 1.00 0.00 C ATOM 0 H THR A 82 21.090 14.997 -16.896 1.00 0.00 H new ATOM 0 HA THR A 82 19.732 12.469 -17.446 1.00 0.00 H new ATOM 0 HB THR A 82 22.043 12.326 -17.123 1.00 0.00 H new ATOM 0 HG1 THR A 82 20.633 10.807 -15.886 1.00 0.00 H new ATOM 0 HG21 THR A 82 23.225 13.052 -15.080 1.00 0.00 H new ATOM 0 HG22 THR A 82 22.513 14.413 -15.979 1.00 0.00 H new ATOM 0 HG23 THR A 82 21.722 13.810 -14.503 1.00 0.00 H new ATOM 1235 N SER A 83 18.251 12.247 -15.485 1.00 0.00 N ATOM 1236 CA SER A 83 17.242 12.185 -14.437 1.00 0.00 C ATOM 1237 C SER A 83 17.301 10.832 -13.724 1.00 0.00 C ATOM 1238 O SER A 83 17.808 9.851 -14.273 1.00 0.00 O ATOM 1239 CB SER A 83 15.846 12.399 -15.031 1.00 0.00 C ATOM 1240 OG SER A 83 15.472 11.310 -15.856 1.00 0.00 O ATOM 0 H SER A 83 18.189 11.492 -16.168 1.00 0.00 H new ATOM 0 HA SER A 83 17.444 12.975 -13.714 1.00 0.00 H new ATOM 0 HB2 SER A 83 15.119 12.517 -14.227 1.00 0.00 H new ATOM 0 HB3 SER A 83 15.832 13.321 -15.612 1.00 0.00 H new ATOM 0 HG SER A 83 15.152 11.648 -16.719 1.00 0.00 H new ATOM 1246 N SER A 84 16.786 10.783 -12.501 1.00 0.00 N ATOM 1247 CA SER A 84 16.788 9.549 -11.730 1.00 0.00 C ATOM 1248 C SER A 84 15.373 9.157 -11.318 1.00 0.00 C ATOM 1249 O SER A 84 14.542 10.015 -11.019 1.00 0.00 O ATOM 1250 CB SER A 84 17.670 9.700 -10.487 1.00 0.00 C ATOM 1251 OG SER A 84 18.729 10.613 -10.719 1.00 0.00 O ATOM 0 H SER A 84 16.364 11.580 -12.025 1.00 0.00 H new ATOM 0 HA SER A 84 17.193 8.759 -12.362 1.00 0.00 H new ATOM 0 HB2 SER A 84 17.065 10.045 -9.648 1.00 0.00 H new ATOM 0 HB3 SER A 84 18.078 8.729 -10.207 1.00 0.00 H new ATOM 0 HG SER A 84 19.276 10.692 -9.910 1.00 0.00 H new ATOM 1257 N ILE A 85 15.110 7.854 -11.296 1.00 0.00 N ATOM 1258 CA ILE A 85 13.795 7.347 -10.913 1.00 0.00 C ATOM 1259 C ILE A 85 13.910 6.027 -10.145 1.00 0.00 C ATOM 1260 O ILE A 85 14.752 5.189 -10.461 1.00 0.00 O ATOM 1261 CB ILE A 85 12.889 7.150 -12.148 1.00 0.00 C ATOM 1262 CG1 ILE A 85 11.476 6.752 -11.712 1.00 0.00 C ATOM 1263 CG2 ILE A 85 13.480 6.107 -13.088 1.00 0.00 C ATOM 1264 CD1 ILE A 85 10.521 6.538 -12.867 1.00 0.00 C ATOM 0 H ILE A 85 15.788 7.131 -11.538 1.00 0.00 H new ATOM 0 HA ILE A 85 13.343 8.094 -10.261 1.00 0.00 H new ATOM 0 HB ILE A 85 12.829 8.095 -12.688 1.00 0.00 H new ATOM 0 HG12 ILE A 85 11.531 5.836 -11.123 1.00 0.00 H new ATOM 0 HG13 ILE A 85 11.075 7.527 -11.059 1.00 0.00 H new ATOM 0 HG21 ILE A 85 12.826 5.983 -13.951 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.464 6.435 -13.422 1.00 0.00 H new ATOM 0 HG23 ILE A 85 13.573 5.156 -12.564 1.00 0.00 H new ATOM 0 HD11 ILE A 85 9.540 6.259 -12.481 1.00 0.00 H new ATOM 0 HD12 ILE A 85 10.435 7.459 -13.444 1.00 0.00 H new ATOM 0 HD13 ILE A 85 10.899 5.742 -13.509 1.00 0.00 H new ATOM 1276 N ASP A 86 13.047 5.853 -9.140 1.00 0.00 N ATOM 1277 CA ASP A 86 13.034 4.638 -8.318 1.00 0.00 C ATOM 1278 C ASP A 86 11.960 3.664 -8.811 1.00 0.00 C ATOM 1279 O ASP A 86 10.774 3.988 -8.813 1.00 0.00 O ATOM 1280 CB ASP A 86 12.778 5.003 -6.852 1.00 0.00 C ATOM 1281 CG ASP A 86 12.777 3.792 -5.941 1.00 0.00 C ATOM 1282 OD1 ASP A 86 13.789 3.062 -5.923 1.00 0.00 O ATOM 1283 OD2 ASP A 86 11.764 3.574 -5.243 1.00 0.00 O ATOM 0 H ASP A 86 12.344 6.543 -8.874 1.00 0.00 H new ATOM 0 HA ASP A 86 14.006 4.151 -8.402 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.543 5.704 -6.517 1.00 0.00 H new ATOM 0 HB3 ASP A 86 11.819 5.515 -6.771 1.00 0.00 H new ATOM 1288 N LEU A 87 12.385 2.480 -9.251 1.00 0.00 N ATOM 1289 CA LEU A 87 11.445 1.482 -9.776 1.00 0.00 C ATOM 1290 C LEU A 87 11.068 0.411 -8.743 1.00 0.00 C ATOM 1291 O LEU A 87 10.230 -0.446 -9.023 1.00 0.00 O ATOM 1292 CB LEU A 87 12.017 0.820 -11.031 1.00 0.00 C ATOM 1293 CG LEU A 87 12.771 1.760 -11.981 1.00 0.00 C ATOM 1294 CD1 LEU A 87 13.657 0.961 -12.926 1.00 0.00 C ATOM 1295 CD2 LEU A 87 11.800 2.633 -12.765 1.00 0.00 C ATOM 0 H LEU A 87 13.362 2.188 -9.256 1.00 0.00 H new ATOM 0 HA LEU A 87 10.530 2.019 -10.026 1.00 0.00 H new ATOM 0 HB2 LEU A 87 12.692 0.021 -10.725 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.200 0.353 -11.581 1.00 0.00 H new ATOM 0 HG LEU A 87 13.405 2.414 -11.382 1.00 0.00 H new ATOM 0 HD11 LEU A 87 14.185 1.642 -13.593 1.00 0.00 H new ATOM 0 HD12 LEU A 87 14.380 0.386 -12.348 1.00 0.00 H new ATOM 0 HD13 LEU A 87 13.041 0.281 -13.515 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.358 3.291 -13.431 1.00 0.00 H new ATOM 0 HD22 LEU A 87 11.135 2.000 -13.353 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.210 3.234 -12.073 1.00 0.00 H new ATOM 1307 N ASN A 88 11.691 0.436 -7.564 1.00 0.00 N ATOM 1308 CA ASN A 88 11.413 -0.565 -6.523 1.00 0.00 C ATOM 1309 C ASN A 88 9.908 -0.801 -6.349 1.00 0.00 C ATOM 1310 O ASN A 88 9.486 -1.885 -5.945 1.00 0.00 O ATOM 1311 CB ASN A 88 12.019 -0.098 -5.192 1.00 0.00 C ATOM 1312 CG ASN A 88 11.790 -1.075 -4.052 1.00 0.00 C ATOM 1313 OD1 ASN A 88 11.983 -2.360 -4.320 1.00 0.00 O flip ATOM 1314 ND2 ASN A 88 11.445 -0.676 -2.940 1.00 0.00 N flip ATOM 0 H ASN A 88 12.389 1.133 -7.303 1.00 0.00 H new ATOM 0 HA ASN A 88 11.864 -1.508 -6.832 1.00 0.00 H new ATOM 0 HB2 ASN A 88 13.091 0.053 -5.322 1.00 0.00 H new ATOM 0 HB3 ASN A 88 11.591 0.868 -4.925 1.00 0.00 H new ATOM 0 HD21 ASN A 88 11.307 0.321 -2.776 1.00 0.00 H new ATOM 0 HD22 ASN A 88 11.297 -1.343 -2.182 1.00 0.00 H new ATOM 1321 N SER A 89 9.109 0.216 -6.650 1.00 0.00 N ATOM 1322 CA SER A 89 7.658 0.119 -6.523 1.00 0.00 C ATOM 1323 C SER A 89 7.004 -0.591 -7.713 1.00 0.00 C ATOM 1324 O SER A 89 6.052 -1.352 -7.539 1.00 0.00 O ATOM 1325 CB SER A 89 7.055 1.517 -6.371 1.00 0.00 C ATOM 1326 OG SER A 89 7.983 2.413 -5.781 1.00 0.00 O ATOM 0 H SER A 89 9.442 1.120 -6.985 1.00 0.00 H new ATOM 0 HA SER A 89 7.457 -0.481 -5.636 1.00 0.00 H new ATOM 0 HB2 SER A 89 6.752 1.894 -7.348 1.00 0.00 H new ATOM 0 HB3 SER A 89 6.156 1.464 -5.757 1.00 0.00 H new ATOM 0 HG SER A 89 7.574 3.299 -5.697 1.00 0.00 H new ATOM 1332 N VAL A 90 7.483 -0.306 -8.922 1.00 0.00 N ATOM 1333 CA VAL A 90 6.901 -0.896 -10.127 1.00 0.00 C ATOM 1334 C VAL A 90 7.253 -2.376 -10.303 1.00 0.00 C ATOM 1335 O VAL A 90 6.366 -3.209 -10.488 1.00 0.00 O ATOM 1336 CB VAL A 90 7.288 -0.101 -11.399 1.00 0.00 C ATOM 1337 CG1 VAL A 90 7.119 1.390 -11.163 1.00 0.00 C ATOM 1338 CG2 VAL A 90 8.714 -0.399 -11.841 1.00 0.00 C ATOM 0 H VAL A 90 8.266 0.325 -9.094 1.00 0.00 H new ATOM 0 HA VAL A 90 5.821 -0.835 -9.989 1.00 0.00 H new ATOM 0 HB VAL A 90 6.618 -0.418 -12.198 1.00 0.00 H new ATOM 0 HG11 VAL A 90 7.395 1.935 -12.066 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.080 1.603 -10.914 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.761 1.703 -10.340 1.00 0.00 H new ATOM 0 HG21 VAL A 90 8.946 0.178 -12.736 1.00 0.00 H new ATOM 0 HG22 VAL A 90 9.406 -0.127 -11.044 1.00 0.00 H new ATOM 0 HG23 VAL A 90 8.812 -1.462 -12.060 1.00 0.00 H new ATOM 1348 N ILE A 91 8.540 -2.700 -10.263 1.00 0.00 N ATOM 1349 CA ILE A 91 8.978 -4.078 -10.432 1.00 0.00 C ATOM 1350 C ILE A 91 8.835 -4.868 -9.129 1.00 0.00 C ATOM 1351 O ILE A 91 8.948 -4.313 -8.036 1.00 0.00 O ATOM 1352 CB ILE A 91 10.432 -4.148 -10.957 1.00 0.00 C ATOM 1353 CG1 ILE A 91 10.529 -3.469 -12.332 1.00 0.00 C ATOM 1354 CG2 ILE A 91 10.909 -5.592 -11.048 1.00 0.00 C ATOM 1355 CD1 ILE A 91 11.244 -2.133 -12.304 1.00 0.00 C ATOM 0 H ILE A 91 9.295 -2.030 -10.116 1.00 0.00 H new ATOM 0 HA ILE A 91 8.330 -4.536 -11.179 1.00 0.00 H new ATOM 0 HB ILE A 91 11.076 -3.621 -10.253 1.00 0.00 H new ATOM 0 HG12 ILE A 91 11.050 -4.135 -13.020 1.00 0.00 H new ATOM 0 HG13 ILE A 91 9.524 -3.325 -12.728 1.00 0.00 H new ATOM 0 HG21 ILE A 91 11.933 -5.614 -11.420 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.871 -6.051 -10.060 1.00 0.00 H new ATOM 0 HG23 ILE A 91 10.264 -6.146 -11.730 1.00 0.00 H new ATOM 0 HD11 ILE A 91 11.273 -1.715 -13.310 1.00 0.00 H new ATOM 0 HD12 ILE A 91 10.712 -1.449 -11.642 1.00 0.00 H new ATOM 0 HD13 ILE A 91 12.262 -2.273 -11.939 1.00 0.00 H new ATOM 1367 N GLU A 92 8.555 -6.162 -9.261 1.00 0.00 N ATOM 1368 CA GLU A 92 8.359 -7.042 -8.110 1.00 0.00 C ATOM 1369 C GLU A 92 9.050 -8.376 -8.356 1.00 0.00 C ATOM 1370 O GLU A 92 9.412 -8.684 -9.491 1.00 0.00 O ATOM 1371 CB GLU A 92 6.859 -7.280 -7.900 1.00 0.00 C ATOM 1372 CG GLU A 92 6.479 -7.603 -6.464 1.00 0.00 C ATOM 1373 CD GLU A 92 4.980 -7.547 -6.234 1.00 0.00 C ATOM 1374 OE1 GLU A 92 4.313 -8.588 -6.415 1.00 0.00 O ATOM 1375 OE2 GLU A 92 4.474 -6.465 -5.868 1.00 0.00 O ATOM 0 H GLU A 92 8.458 -6.629 -10.163 1.00 0.00 H new ATOM 0 HA GLU A 92 8.785 -6.573 -7.223 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.313 -6.392 -8.219 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.538 -8.100 -8.543 1.00 0.00 H new ATOM 0 HG2 GLU A 92 6.846 -8.597 -6.209 1.00 0.00 H new ATOM 0 HG3 GLU A 92 6.973 -6.900 -5.794 1.00 0.00 H new ATOM 1382 N ASN A 93 9.244 -9.175 -7.307 1.00 0.00 N ATOM 1383 CA ASN A 93 9.901 -10.467 -7.467 1.00 0.00 C ATOM 1384 C ASN A 93 8.883 -11.598 -7.354 1.00 0.00 C ATOM 1385 O ASN A 93 8.497 -12.004 -6.258 1.00 0.00 O ATOM 1386 CB ASN A 93 10.999 -10.638 -6.413 1.00 0.00 C ATOM 1387 CG ASN A 93 11.723 -11.967 -6.534 1.00 0.00 C ATOM 1388 OD1 ASN A 93 11.820 -12.539 -7.619 1.00 0.00 O ATOM 1389 ND2 ASN A 93 12.234 -12.466 -5.414 1.00 0.00 N ATOM 0 H ASN A 93 8.960 -8.953 -6.353 1.00 0.00 H new ATOM 0 HA ASN A 93 10.356 -10.505 -8.457 1.00 0.00 H new ATOM 0 HB2 ASN A 93 11.720 -9.826 -6.509 1.00 0.00 H new ATOM 0 HB3 ASN A 93 10.559 -10.557 -5.419 1.00 0.00 H new ATOM 0 HD21 ASN A 93 12.730 -13.357 -5.432 1.00 0.00 H new ATOM 0 HD22 ASN A 93 12.130 -11.958 -4.536 1.00 0.00 H new ATOM 1396 N VAL A 94 8.465 -12.104 -8.508 1.00 0.00 N ATOM 1397 CA VAL A 94 7.502 -13.197 -8.572 1.00 0.00 C ATOM 1398 C VAL A 94 8.207 -14.532 -8.792 1.00 0.00 C ATOM 1399 O VAL A 94 8.534 -14.888 -9.923 1.00 0.00 O ATOM 1400 CB VAL A 94 6.469 -12.965 -9.692 1.00 0.00 C ATOM 1401 CG1 VAL A 94 5.397 -14.044 -9.667 1.00 0.00 C ATOM 1402 CG2 VAL A 94 5.843 -11.585 -9.559 1.00 0.00 C ATOM 0 H VAL A 94 8.781 -11.772 -9.419 1.00 0.00 H new ATOM 0 HA VAL A 94 6.979 -13.226 -7.616 1.00 0.00 H new ATOM 0 HB VAL A 94 6.984 -13.020 -10.651 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.678 -13.861 -10.466 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.860 -15.020 -9.812 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.884 -14.025 -8.706 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.116 -11.437 -10.357 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.344 -11.504 -8.594 1.00 0.00 H new ATOM 0 HG23 VAL A 94 6.620 -10.824 -9.631 1.00 0.00 H new ATOM 1412 N ASP A 95 8.441 -15.271 -7.709 1.00 0.00 N ATOM 1413 CA ASP A 95 9.111 -16.568 -7.787 1.00 0.00 C ATOM 1414 C ASP A 95 10.449 -16.465 -8.511 1.00 0.00 C ATOM 1415 O ASP A 95 10.883 -17.412 -9.166 1.00 0.00 O ATOM 1416 CB ASP A 95 8.225 -17.597 -8.490 1.00 0.00 C ATOM 1417 CG ASP A 95 8.636 -19.021 -8.164 1.00 0.00 C ATOM 1418 OD1 ASP A 95 9.185 -19.243 -7.064 1.00 0.00 O ATOM 1419 OD2 ASP A 95 8.410 -19.912 -9.009 1.00 0.00 O ATOM 0 H ASP A 95 8.176 -14.993 -6.764 1.00 0.00 H new ATOM 0 HA ASP A 95 9.297 -16.895 -6.764 1.00 0.00 H new ATOM 0 HB2 ASP A 95 7.187 -17.443 -8.195 1.00 0.00 H new ATOM 0 HB3 ASP A 95 8.276 -17.443 -9.568 1.00 0.00 H new ATOM 1424 N GLY A 96 11.107 -15.316 -8.377 1.00 0.00 N ATOM 1425 CA GLY A 96 12.404 -15.121 -9.011 1.00 0.00 C ATOM 1426 C GLY A 96 12.316 -14.455 -10.372 1.00 0.00 C ATOM 1427 O GLY A 96 13.176 -14.669 -11.227 1.00 0.00 O ATOM 0 H GLY A 96 10.767 -14.517 -7.842 1.00 0.00 H new ATOM 0 HA2 GLY A 96 13.032 -14.515 -8.358 1.00 0.00 H new ATOM 0 HA3 GLY A 96 12.896 -16.087 -9.119 1.00 0.00 H new ATOM 1431 N SER A 97 11.283 -13.642 -10.575 1.00 0.00 N ATOM 1432 CA SER A 97 11.105 -12.944 -11.844 1.00 0.00 C ATOM 1433 C SER A 97 10.624 -11.512 -11.622 1.00 0.00 C ATOM 1434 O SER A 97 9.741 -11.262 -10.801 1.00 0.00 O ATOM 1435 CB SER A 97 10.105 -13.689 -12.733 1.00 0.00 C ATOM 1436 OG SER A 97 10.515 -15.024 -12.966 1.00 0.00 O ATOM 0 H SER A 97 10.560 -13.451 -9.881 1.00 0.00 H new ATOM 0 HA SER A 97 12.074 -12.913 -12.342 1.00 0.00 H new ATOM 0 HB2 SER A 97 9.123 -13.686 -12.260 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.002 -13.167 -13.684 1.00 0.00 H new ATOM 0 HG SER A 97 9.856 -15.474 -13.535 1.00 0.00 H new ATOM 1442 N LEU A 98 11.215 -10.575 -12.360 1.00 0.00 N ATOM 1443 CA LEU A 98 10.848 -9.167 -12.245 1.00 0.00 C ATOM 1444 C LEU A 98 9.497 -8.908 -12.903 1.00 0.00 C ATOM 1445 O LEU A 98 9.320 -9.145 -14.099 1.00 0.00 O ATOM 1446 CB LEU A 98 11.919 -8.277 -12.888 1.00 0.00 C ATOM 1447 CG LEU A 98 13.332 -8.442 -12.326 1.00 0.00 C ATOM 1448 CD1 LEU A 98 14.292 -7.482 -13.013 1.00 0.00 C ATOM 1449 CD2 LEU A 98 13.336 -8.216 -10.823 1.00 0.00 C ATOM 0 H LEU A 98 11.949 -10.765 -13.043 1.00 0.00 H new ATOM 0 HA LEU A 98 10.775 -8.922 -11.185 1.00 0.00 H new ATOM 0 HB2 LEU A 98 11.945 -8.484 -13.958 1.00 0.00 H new ATOM 0 HB3 LEU A 98 11.619 -7.235 -12.772 1.00 0.00 H new ATOM 0 HG LEU A 98 13.665 -9.461 -12.521 1.00 0.00 H new ATOM 0 HD11 LEU A 98 15.293 -7.612 -12.602 1.00 0.00 H new ATOM 0 HD12 LEU A 98 14.310 -7.689 -14.083 1.00 0.00 H new ATOM 0 HD13 LEU A 98 13.962 -6.457 -12.847 1.00 0.00 H new ATOM 0 HD21 LEU A 98 14.349 -8.337 -10.440 1.00 0.00 H new ATOM 0 HD22 LEU A 98 12.984 -7.208 -10.606 1.00 0.00 H new ATOM 0 HD23 LEU A 98 12.678 -8.941 -10.344 1.00 0.00 H new ATOM 1461 N LYS A 99 8.534 -8.440 -12.111 1.00 0.00 N ATOM 1462 CA LYS A 99 7.189 -8.168 -12.614 1.00 0.00 C ATOM 1463 C LYS A 99 6.742 -6.742 -12.306 1.00 0.00 C ATOM 1464 O LYS A 99 6.947 -6.239 -11.204 1.00 0.00 O ATOM 1465 CB LYS A 99 6.195 -9.162 -12.007 1.00 0.00 C ATOM 1466 CG LYS A 99 6.181 -10.513 -12.705 1.00 0.00 C ATOM 1467 CD LYS A 99 4.867 -10.751 -13.436 1.00 0.00 C ATOM 1468 CE LYS A 99 3.774 -11.222 -12.490 1.00 0.00 C ATOM 1469 NZ LYS A 99 2.488 -11.456 -13.203 1.00 0.00 N ATOM 0 H LYS A 99 8.660 -8.241 -11.119 1.00 0.00 H new ATOM 0 HA LYS A 99 7.214 -8.282 -13.698 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.438 -9.309 -10.955 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.194 -8.732 -12.046 1.00 0.00 H new ATOM 0 HG2 LYS A 99 7.007 -10.566 -13.414 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.339 -11.304 -11.972 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.552 -9.830 -13.927 1.00 0.00 H new ATOM 0 HD3 LYS A 99 5.016 -11.495 -14.219 1.00 0.00 H new ATOM 0 HE2 LYS A 99 4.090 -12.142 -11.999 1.00 0.00 H new ATOM 0 HE3 LYS A 99 3.625 -10.478 -11.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 1.768 -11.776 -12.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 2.173 -10.572 -13.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 2.623 -12.184 -13.933 1.00 0.00 H new ATOM 1483 N TYR A 100 6.119 -6.098 -13.292 1.00 0.00 N ATOM 1484 CA TYR A 100 5.627 -4.733 -13.131 1.00 0.00 C ATOM 1485 C TYR A 100 4.319 -4.731 -12.351 1.00 0.00 C ATOM 1486 O TYR A 100 3.537 -5.678 -12.433 1.00 0.00 O ATOM 1487 CB TYR A 100 5.416 -4.072 -14.498 1.00 0.00 C ATOM 1488 CG TYR A 100 4.939 -2.636 -14.413 1.00 0.00 C ATOM 1489 CD1 TYR A 100 3.622 -2.339 -14.082 1.00 0.00 C ATOM 1490 CD2 TYR A 100 5.806 -1.581 -14.666 1.00 0.00 C ATOM 1491 CE1 TYR A 100 3.184 -1.030 -14.005 1.00 0.00 C ATOM 1492 CE2 TYR A 100 5.375 -0.270 -14.591 1.00 0.00 C ATOM 1493 CZ TYR A 100 4.064 0.000 -14.260 1.00 0.00 C ATOM 1494 OH TYR A 100 3.631 1.305 -14.185 1.00 0.00 O ATOM 0 H TYR A 100 5.943 -6.502 -14.212 1.00 0.00 H new ATOM 0 HA TYR A 100 6.373 -4.164 -12.577 1.00 0.00 H new ATOM 0 HB2 TYR A 100 6.353 -4.102 -15.055 1.00 0.00 H new ATOM 0 HB3 TYR A 100 4.689 -4.654 -15.065 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.930 -3.144 -13.882 1.00 0.00 H new ATOM 0 HD2 TYR A 100 6.834 -1.788 -14.926 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.158 -0.815 -13.746 1.00 0.00 H new ATOM 0 HE2 TYR A 100 6.062 0.539 -14.791 1.00 0.00 H new ATOM 0 HH TYR A 100 4.375 1.909 -14.392 1.00 0.00 H new