USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 732 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 20 SER OG : rot -13:sc= 0.953 USER MOD Set 1.2: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 64 GLN : amide:sc= -0.143 X(o=0.81,f=0.46) USER MOD Single : A 1 GLY N :NH3+ -133:sc= 0.0689 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 15:sc= 0.277 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot -48:sc= 0.348 USER MOD Single : A 18 LYS NZ :NH3+ 150:sc= -0.395 (180deg=-1.5!) USER MOD Single : A 26 LYS NZ :NH3+ -114:sc= -0.365 (180deg=-2.14!) USER MOD Single : A 27 TYR OH : rot 165:sc= -0.0711 USER MOD Single : A 28 HIS :FLIP no HE2:sc= -5.78! C(o=-7.1!,f=-5.8!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 90:sc= 0.404 USER MOD Single : A 41 GLN : amide:sc= -0.132 K(o=-0.13,f=-1.8!) USER MOD Single : A 46 HIS :FLIP no HE2:sc= -3.01 F(o=-4.5!,f=-3) USER MOD Single : A 49 ASN : amide:sc= -0.0686 X(o=-0.069,f=-0.4) USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 55 LYS NZ :NH3+ -156:sc= -0.923 (180deg=-1.57) USER MOD Single : A 59 ASN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 60 GLN : amide:sc= -0.463 X(o=-0.46,f=0) USER MOD Single : A 62 GLN : amide:sc= -4.07! C(o=-4.1!,f=-10!) USER MOD Single : A 66 THR OG1 : rot -170:sc= -0.903 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -0.0593 K(o=-0.059,f=-1.8!) USER MOD Single : A 74 THR OG1 : rot -173:sc= 1.2 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.0055) USER MOD Single : A 91 MET CE :methyl 165:sc= -0.0233 (180deg=-0.295) USER MOD Single : A 92 SER OG : rot 36:sc= 0.11 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.079 -43.571 21.289 1.00 0.00 N ATOM 2 CA GLY A 1 1.629 -42.924 20.112 1.00 0.00 C ATOM 3 C GLY A 1 0.674 -41.919 19.502 1.00 0.00 C ATOM 4 O GLY A 1 -0.304 -41.518 20.134 1.00 0.00 O ATOM 0 H1 GLY A 1 1.787 -43.567 22.050 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.231 -43.058 21.603 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.824 -44.553 21.058 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.559 -42.421 20.379 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.878 -43.681 19.368 1.00 0.00 H new ATOM 8 N SER A 2 0.957 -41.507 18.270 1.00 0.00 N ATOM 9 CA SER A 2 0.118 -40.537 17.576 1.00 0.00 C ATOM 10 C SER A 2 -0.156 -39.325 18.462 1.00 0.00 C ATOM 11 O SER A 2 -1.296 -38.878 18.585 1.00 0.00 O ATOM 12 CB SER A 2 -1.202 -41.182 17.154 1.00 0.00 C ATOM 13 OG SER A 2 -1.098 -41.762 15.865 1.00 0.00 O ATOM 0 H SER A 2 1.761 -41.830 17.732 1.00 0.00 H new ATOM 0 HA SER A 2 0.651 -40.203 16.686 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.485 -41.946 17.878 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.993 -40.433 17.156 1.00 0.00 H new ATOM 0 HG SER A 2 -1.955 -42.169 15.619 1.00 0.00 H new ATOM 19 N SER A 3 0.899 -38.797 19.075 1.00 0.00 N ATOM 20 CA SER A 3 0.773 -37.639 19.952 1.00 0.00 C ATOM 21 C SER A 3 2.085 -36.863 20.019 1.00 0.00 C ATOM 22 O SER A 3 3.147 -37.437 20.254 1.00 0.00 O ATOM 23 CB SER A 3 0.355 -38.078 21.356 1.00 0.00 C ATOM 24 OG SER A 3 1.409 -38.762 22.011 1.00 0.00 O ATOM 0 H SER A 3 1.850 -39.153 18.980 1.00 0.00 H new ATOM 0 HA SER A 3 0.004 -36.985 19.540 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.064 -37.206 21.942 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.519 -38.726 21.293 1.00 0.00 H new ATOM 0 HG SER A 3 2.248 -38.610 21.527 1.00 0.00 H new ATOM 30 N GLY A 4 2.001 -35.552 19.811 1.00 0.00 N ATOM 31 CA GLY A 4 3.188 -34.717 19.852 1.00 0.00 C ATOM 32 C GLY A 4 3.024 -33.437 19.057 1.00 0.00 C ATOM 33 O GLY A 4 1.977 -33.204 18.453 1.00 0.00 O ATOM 0 H GLY A 4 1.133 -35.054 19.615 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.419 -34.470 20.888 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.037 -35.278 19.461 1.00 0.00 H new ATOM 37 N SER A 5 4.060 -32.605 19.060 1.00 0.00 N ATOM 38 CA SER A 5 4.023 -31.337 18.339 1.00 0.00 C ATOM 39 C SER A 5 5.348 -31.080 17.627 1.00 0.00 C ATOM 40 O SER A 5 6.401 -31.000 18.262 1.00 0.00 O ATOM 41 CB SER A 5 3.715 -30.188 19.299 1.00 0.00 C ATOM 42 OG SER A 5 2.541 -30.450 20.048 1.00 0.00 O ATOM 0 H SER A 5 4.935 -32.785 19.553 1.00 0.00 H new ATOM 0 HA SER A 5 3.233 -31.395 17.591 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.556 -30.040 19.976 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.592 -29.263 18.736 1.00 0.00 H new ATOM 0 HG SER A 5 2.367 -29.701 20.655 1.00 0.00 H new ATOM 48 N SER A 6 5.287 -30.950 16.306 1.00 0.00 N ATOM 49 CA SER A 6 6.482 -30.704 15.506 1.00 0.00 C ATOM 50 C SER A 6 6.195 -29.700 14.394 1.00 0.00 C ATOM 51 O SER A 6 5.416 -29.973 13.483 1.00 0.00 O ATOM 52 CB SER A 6 6.998 -32.014 14.906 1.00 0.00 C ATOM 53 OG SER A 6 7.436 -32.902 15.919 1.00 0.00 O ATOM 0 H SER A 6 4.423 -31.011 15.767 1.00 0.00 H new ATOM 0 HA SER A 6 7.247 -30.286 16.160 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.208 -32.486 14.321 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.820 -31.805 14.221 1.00 0.00 H new ATOM 0 HG SER A 6 7.759 -33.732 15.509 1.00 0.00 H new ATOM 59 N GLY A 7 6.832 -28.536 14.478 1.00 0.00 N ATOM 60 CA GLY A 7 6.633 -27.508 13.473 1.00 0.00 C ATOM 61 C GLY A 7 5.474 -26.589 13.806 1.00 0.00 C ATOM 62 O GLY A 7 4.330 -27.032 13.900 1.00 0.00 O ATOM 0 H GLY A 7 7.482 -28.287 15.224 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.544 -26.918 13.376 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.453 -27.979 12.506 1.00 0.00 H new ATOM 66 N GLU A 8 5.771 -25.306 13.988 1.00 0.00 N ATOM 67 CA GLU A 8 4.744 -24.324 14.315 1.00 0.00 C ATOM 68 C GLU A 8 4.960 -23.031 13.533 1.00 0.00 C ATOM 69 O GLU A 8 6.037 -22.436 13.583 1.00 0.00 O ATOM 70 CB GLU A 8 4.748 -24.031 15.816 1.00 0.00 C ATOM 71 CG GLU A 8 4.261 -25.195 16.665 1.00 0.00 C ATOM 72 CD GLU A 8 2.781 -25.470 16.484 1.00 0.00 C ATOM 73 OE1 GLU A 8 2.007 -24.497 16.369 1.00 0.00 O ATOM 74 OE2 GLU A 8 2.398 -26.658 16.459 1.00 0.00 O ATOM 0 H GLU A 8 6.713 -24.923 13.915 1.00 0.00 H new ATOM 0 HA GLU A 8 3.776 -24.741 14.036 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.760 -23.766 16.123 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.119 -23.162 16.010 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.827 -26.090 16.407 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.462 -24.983 17.715 1.00 0.00 H new ATOM 81 N GLN A 9 3.928 -22.603 12.813 1.00 0.00 N ATOM 82 CA GLN A 9 4.005 -21.381 12.019 1.00 0.00 C ATOM 83 C GLN A 9 3.807 -20.150 12.897 1.00 0.00 C ATOM 84 O GLN A 9 3.401 -20.259 14.053 1.00 0.00 O ATOM 85 CB GLN A 9 2.955 -21.404 10.907 1.00 0.00 C ATOM 86 CG GLN A 9 1.527 -21.493 11.419 1.00 0.00 C ATOM 87 CD GLN A 9 0.579 -22.096 10.402 1.00 0.00 C ATOM 88 OE1 GLN A 9 -0.099 -21.378 9.666 1.00 0.00 O ATOM 89 NE2 GLN A 9 0.525 -23.422 10.355 1.00 0.00 N ATOM 0 H GLN A 9 3.030 -23.083 12.763 1.00 0.00 H new ATOM 0 HA GLN A 9 4.997 -21.329 11.571 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.059 -20.504 10.302 1.00 0.00 H new ATOM 0 HB3 GLN A 9 3.151 -22.253 10.252 1.00 0.00 H new ATOM 0 HG2 GLN A 9 1.508 -22.093 12.328 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.179 -20.496 11.688 1.00 0.00 H new ATOM 0 HE21 GLN A 9 1.104 -23.979 10.983 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -0.096 -23.884 9.690 1.00 0.00 H new ATOM 98 N GLU A 10 4.096 -18.979 12.338 1.00 0.00 N ATOM 99 CA GLU A 10 3.950 -17.727 13.070 1.00 0.00 C ATOM 100 C GLU A 10 2.888 -16.840 12.427 1.00 0.00 C ATOM 101 O GLU A 10 3.097 -15.641 12.239 1.00 0.00 O ATOM 102 CB GLU A 10 5.287 -16.983 13.125 1.00 0.00 C ATOM 103 CG GLU A 10 5.913 -16.757 11.758 1.00 0.00 C ATOM 104 CD GLU A 10 6.737 -17.941 11.292 1.00 0.00 C ATOM 105 OE1 GLU A 10 7.340 -18.618 12.150 1.00 0.00 O ATOM 106 OE2 GLU A 10 6.780 -18.189 10.069 1.00 0.00 O ATOM 0 H GLU A 10 4.432 -18.872 11.381 1.00 0.00 H new ATOM 0 HA GLU A 10 3.633 -17.965 14.085 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.137 -16.019 13.611 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.983 -17.548 13.745 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.126 -16.558 11.031 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.546 -15.870 11.794 1.00 0.00 H new ATOM 113 N ASP A 11 1.751 -17.438 12.092 1.00 0.00 N ATOM 114 CA ASP A 11 0.654 -16.704 11.471 1.00 0.00 C ATOM 115 C ASP A 11 0.351 -15.424 12.243 1.00 0.00 C ATOM 116 O ASP A 11 0.226 -14.348 11.657 1.00 0.00 O ATOM 117 CB ASP A 11 -0.598 -17.579 11.396 1.00 0.00 C ATOM 118 CG ASP A 11 -1.078 -18.020 12.766 1.00 0.00 C ATOM 119 OD1 ASP A 11 -1.858 -17.271 13.390 1.00 0.00 O ATOM 120 OD2 ASP A 11 -0.672 -19.113 13.212 1.00 0.00 O ATOM 0 H ASP A 11 1.564 -18.430 12.240 1.00 0.00 H new ATOM 0 HA ASP A 11 0.958 -16.434 10.460 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.394 -17.028 10.895 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -0.388 -18.458 10.787 1.00 0.00 H new ATOM 125 N ARG A 12 0.232 -15.548 13.561 1.00 0.00 N ATOM 126 CA ARG A 12 -0.060 -14.402 14.413 1.00 0.00 C ATOM 127 C ARG A 12 0.871 -13.236 14.094 1.00 0.00 C ATOM 128 O ARG A 12 0.440 -12.085 14.025 1.00 0.00 O ATOM 129 CB ARG A 12 0.075 -14.789 15.887 1.00 0.00 C ATOM 130 CG ARG A 12 1.459 -15.295 16.259 1.00 0.00 C ATOM 131 CD ARG A 12 1.444 -16.029 17.591 1.00 0.00 C ATOM 132 NE ARG A 12 2.788 -16.380 18.039 1.00 0.00 N ATOM 133 CZ ARG A 12 3.038 -17.261 19.001 1.00 0.00 C ATOM 134 NH1 ARG A 12 2.036 -17.878 19.614 1.00 0.00 N ATOM 135 NH2 ARG A 12 4.289 -17.528 19.352 1.00 0.00 N ATOM 0 H ARG A 12 0.333 -16.431 14.062 1.00 0.00 H new ATOM 0 HA ARG A 12 -1.086 -14.088 14.219 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -0.164 -13.923 16.505 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -0.659 -15.560 16.120 1.00 0.00 H new ATOM 0 HG2 ARG A 12 1.826 -15.962 15.479 1.00 0.00 H new ATOM 0 HG3 ARG A 12 2.152 -14.456 16.313 1.00 0.00 H new ATOM 0 HD2 ARG A 12 0.963 -15.404 18.344 1.00 0.00 H new ATOM 0 HD3 ARG A 12 0.845 -16.935 17.499 1.00 0.00 H new ATOM 0 HE ARG A 12 3.580 -15.923 17.588 1.00 0.00 H new ATOM 0 HH11 ARG A 12 1.073 -17.676 19.347 1.00 0.00 H new ATOM 0 HH12 ARG A 12 2.229 -18.554 20.353 1.00 0.00 H new ATOM 0 HH21 ARG A 12 5.062 -17.056 18.883 1.00 0.00 H new ATOM 0 HH22 ARG A 12 4.478 -18.205 20.091 1.00 0.00 H new ATOM 149 N ALA A 13 2.150 -13.542 13.901 1.00 0.00 N ATOM 150 CA ALA A 13 3.141 -12.521 13.588 1.00 0.00 C ATOM 151 C ALA A 13 2.996 -12.039 12.149 1.00 0.00 C ATOM 152 O ALA A 13 3.108 -10.844 11.870 1.00 0.00 O ATOM 153 CB ALA A 13 4.545 -13.057 13.829 1.00 0.00 C ATOM 0 H ALA A 13 2.524 -14.489 13.956 1.00 0.00 H new ATOM 0 HA ALA A 13 2.971 -11.670 14.247 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.275 -12.284 13.591 1.00 0.00 H new ATOM 0 HB2 ALA A 13 4.650 -13.346 14.875 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.717 -13.926 13.194 1.00 0.00 H new ATOM 159 N LEU A 14 2.749 -12.974 11.238 1.00 0.00 N ATOM 160 CA LEU A 14 2.591 -12.644 9.826 1.00 0.00 C ATOM 161 C LEU A 14 1.507 -11.587 9.633 1.00 0.00 C ATOM 162 O LEU A 14 1.736 -10.558 8.997 1.00 0.00 O ATOM 163 CB LEU A 14 2.243 -13.900 9.026 1.00 0.00 C ATOM 164 CG LEU A 14 3.353 -14.942 8.897 1.00 0.00 C ATOM 165 CD1 LEU A 14 2.793 -16.257 8.376 1.00 0.00 C ATOM 166 CD2 LEU A 14 4.460 -14.434 7.987 1.00 0.00 C ATOM 0 H LEU A 14 2.654 -13.967 11.452 1.00 0.00 H new ATOM 0 HA LEU A 14 3.536 -12.240 9.463 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.379 -14.375 9.491 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.939 -13.596 8.024 1.00 0.00 H new ATOM 0 HG LEU A 14 3.776 -15.117 9.886 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.598 -16.987 8.291 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.037 -16.630 9.067 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.342 -16.098 7.396 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.241 -15.190 7.908 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.052 -14.229 6.997 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.882 -13.519 8.403 1.00 0.00 H new ATOM 178 N ARG A 15 0.328 -11.848 10.187 1.00 0.00 N ATOM 179 CA ARG A 15 -0.791 -10.920 10.076 1.00 0.00 C ATOM 180 C ARG A 15 -0.435 -9.565 10.682 1.00 0.00 C ATOM 181 O ARG A 15 -1.090 -8.559 10.409 1.00 0.00 O ATOM 182 CB ARG A 15 -2.028 -11.491 10.772 1.00 0.00 C ATOM 183 CG ARG A 15 -1.810 -11.801 12.244 1.00 0.00 C ATOM 184 CD ARG A 15 -3.101 -11.670 13.038 1.00 0.00 C ATOM 185 NE ARG A 15 -2.892 -11.901 14.464 1.00 0.00 N ATOM 186 CZ ARG A 15 -3.882 -12.048 15.337 1.00 0.00 C ATOM 187 NH1 ARG A 15 -5.143 -11.987 14.931 1.00 0.00 N ATOM 188 NH2 ARG A 15 -3.612 -12.256 16.619 1.00 0.00 N ATOM 0 H ARG A 15 0.123 -12.695 10.717 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.010 -10.781 9.017 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.849 -10.780 10.677 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.335 -12.402 10.259 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.418 -12.812 12.350 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.060 -11.124 12.652 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -3.518 -10.674 12.889 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.834 -12.382 12.659 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.933 -11.952 14.809 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.354 -11.827 13.946 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -5.901 -12.100 15.604 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.643 -12.303 16.935 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -4.373 -12.369 17.289 1.00 0.00 H new ATOM 202 N SER A 16 0.608 -9.547 11.507 1.00 0.00 N ATOM 203 CA SER A 16 1.048 -8.317 12.155 1.00 0.00 C ATOM 204 C SER A 16 2.234 -7.708 11.414 1.00 0.00 C ATOM 205 O SER A 16 3.024 -6.959 11.991 1.00 0.00 O ATOM 206 CB SER A 16 1.429 -8.591 13.612 1.00 0.00 C ATOM 207 OG SER A 16 1.557 -7.384 14.341 1.00 0.00 O ATOM 0 H SER A 16 1.163 -10.370 11.742 1.00 0.00 H new ATOM 0 HA SER A 16 0.222 -7.606 12.130 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.671 -9.222 14.077 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.368 -9.143 13.648 1.00 0.00 H new ATOM 0 HG SER A 16 2.110 -6.753 13.835 1.00 0.00 H new ATOM 213 N PHE A 17 2.352 -8.033 10.131 1.00 0.00 N ATOM 214 CA PHE A 17 3.442 -7.519 9.309 1.00 0.00 C ATOM 215 C PHE A 17 3.137 -6.105 8.824 1.00 0.00 C ATOM 216 O PHE A 17 2.175 -5.884 8.087 1.00 0.00 O ATOM 217 CB PHE A 17 3.685 -8.441 8.112 1.00 0.00 C ATOM 218 CG PHE A 17 4.409 -7.772 6.979 1.00 0.00 C ATOM 219 CD1 PHE A 17 3.718 -7.014 6.048 1.00 0.00 C ATOM 220 CD2 PHE A 17 5.782 -7.902 6.844 1.00 0.00 C ATOM 221 CE1 PHE A 17 4.382 -6.399 5.004 1.00 0.00 C ATOM 222 CE2 PHE A 17 6.452 -7.290 5.802 1.00 0.00 C ATOM 223 CZ PHE A 17 5.750 -6.536 4.881 1.00 0.00 C ATOM 0 H PHE A 17 1.707 -8.650 9.638 1.00 0.00 H new ATOM 0 HA PHE A 17 4.343 -7.487 9.922 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.261 -9.306 8.441 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.727 -8.815 7.751 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.648 -6.902 6.139 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.335 -8.489 7.562 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.831 -5.811 4.285 1.00 0.00 H new ATOM 0 HE2 PHE A 17 7.522 -7.401 5.708 1.00 0.00 H new ATOM 0 HZ PHE A 17 6.271 -6.055 4.066 1.00 0.00 H new ATOM 233 N LYS A 18 3.961 -5.151 9.241 1.00 0.00 N ATOM 234 CA LYS A 18 3.782 -3.758 8.850 1.00 0.00 C ATOM 235 C LYS A 18 4.798 -3.357 7.786 1.00 0.00 C ATOM 236 O LYS A 18 6.007 -3.460 7.996 1.00 0.00 O ATOM 237 CB LYS A 18 3.918 -2.843 10.069 1.00 0.00 C ATOM 238 CG LYS A 18 3.450 -1.420 9.817 1.00 0.00 C ATOM 239 CD LYS A 18 2.940 -0.765 11.089 1.00 0.00 C ATOM 240 CE LYS A 18 1.485 -1.119 11.355 1.00 0.00 C ATOM 241 NZ LYS A 18 1.352 -2.373 12.145 1.00 0.00 N ATOM 0 H LYS A 18 4.761 -5.317 9.851 1.00 0.00 H new ATOM 0 HA LYS A 18 2.781 -3.650 8.432 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.345 -3.264 10.895 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.962 -2.823 10.383 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.273 -0.833 9.409 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.659 -1.424 9.067 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.553 -1.082 11.933 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.043 0.317 11.009 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.005 -0.300 11.891 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.960 -1.231 10.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.488 -2.329 12.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.296 -3.186 11.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.179 -2.481 12.766 1.00 0.00 H new ATOM 255 N LEU A 19 4.300 -2.898 6.642 1.00 0.00 N ATOM 256 CA LEU A 19 5.165 -2.480 5.544 1.00 0.00 C ATOM 257 C LEU A 19 5.016 -0.987 5.274 1.00 0.00 C ATOM 258 O LEU A 19 3.953 -0.407 5.499 1.00 0.00 O ATOM 259 CB LEU A 19 4.836 -3.275 4.280 1.00 0.00 C ATOM 260 CG LEU A 19 5.355 -2.690 2.966 1.00 0.00 C ATOM 261 CD1 LEU A 19 6.811 -3.072 2.750 1.00 0.00 C ATOM 262 CD2 LEU A 19 4.500 -3.159 1.798 1.00 0.00 C ATOM 0 H LEU A 19 3.302 -2.806 6.451 1.00 0.00 H new ATOM 0 HA LEU A 19 6.198 -2.677 5.830 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.241 -4.281 4.392 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.753 -3.373 4.208 1.00 0.00 H new ATOM 0 HG LEU A 19 5.290 -1.603 3.024 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.163 -2.647 1.810 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.414 -2.686 3.572 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.901 -4.158 2.713 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.884 -2.733 0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.532 -4.247 1.738 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.470 -2.834 1.947 1.00 0.00 H new ATOM 274 N SER A 20 6.088 -0.369 4.787 1.00 0.00 N ATOM 275 CA SER A 20 6.077 1.057 4.486 1.00 0.00 C ATOM 276 C SER A 20 6.541 1.315 3.055 1.00 0.00 C ATOM 277 O SER A 20 7.689 1.045 2.704 1.00 0.00 O ATOM 278 CB SER A 20 6.975 1.814 5.468 1.00 0.00 C ATOM 279 OG SER A 20 8.305 1.892 4.986 1.00 0.00 O ATOM 0 H SER A 20 6.975 -0.834 4.593 1.00 0.00 H new ATOM 0 HA SER A 20 5.053 1.416 4.588 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.582 2.819 5.625 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.964 1.313 6.436 1.00 0.00 H new ATOM 0 HG SER A 20 8.419 1.268 4.239 1.00 0.00 H new ATOM 285 N VAL A 21 5.637 1.838 2.233 1.00 0.00 N ATOM 286 CA VAL A 21 5.950 2.133 0.840 1.00 0.00 C ATOM 287 C VAL A 21 6.538 3.532 0.693 1.00 0.00 C ATOM 288 O VAL A 21 5.994 4.505 1.216 1.00 0.00 O ATOM 289 CB VAL A 21 4.701 2.018 -0.054 1.00 0.00 C ATOM 290 CG1 VAL A 21 5.101 1.866 -1.514 1.00 0.00 C ATOM 291 CG2 VAL A 21 3.833 0.851 0.392 1.00 0.00 C ATOM 0 H VAL A 21 4.682 2.066 2.508 1.00 0.00 H new ATOM 0 HA VAL A 21 6.686 1.396 0.519 1.00 0.00 H new ATOM 0 HB VAL A 21 4.119 2.934 0.045 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.205 1.786 -2.130 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.679 2.736 -1.825 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.705 0.967 -1.634 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.955 0.784 -0.250 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.404 -0.075 0.323 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.517 1.006 1.424 1.00 0.00 H new ATOM 301 N THR A 22 7.655 3.627 -0.022 1.00 0.00 N ATOM 302 CA THR A 22 8.318 4.907 -0.238 1.00 0.00 C ATOM 303 C THR A 22 7.802 5.589 -1.500 1.00 0.00 C ATOM 304 O THR A 22 8.193 5.234 -2.612 1.00 0.00 O ATOM 305 CB THR A 22 9.845 4.737 -0.347 1.00 0.00 C ATOM 306 OG1 THR A 22 10.312 3.837 0.665 1.00 0.00 O ATOM 307 CG2 THR A 22 10.550 6.077 -0.205 1.00 0.00 C ATOM 0 H THR A 22 8.119 2.832 -0.461 1.00 0.00 H new ATOM 0 HA THR A 22 8.090 5.530 0.627 1.00 0.00 H new ATOM 0 HB THR A 22 10.073 4.327 -1.331 1.00 0.00 H new ATOM 0 HG1 THR A 22 11.283 3.733 0.588 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.627 5.932 -0.285 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.215 6.750 -0.994 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.314 6.511 0.767 1.00 0.00 H new ATOM 315 N VAL A 23 6.922 6.568 -1.320 1.00 0.00 N ATOM 316 CA VAL A 23 6.354 7.301 -2.446 1.00 0.00 C ATOM 317 C VAL A 23 5.979 8.723 -2.044 1.00 0.00 C ATOM 318 O VAL A 23 5.229 8.931 -1.089 1.00 0.00 O ATOM 319 CB VAL A 23 5.106 6.591 -3.005 1.00 0.00 C ATOM 320 CG1 VAL A 23 4.450 7.438 -4.086 1.00 0.00 C ATOM 321 CG2 VAL A 23 5.471 5.216 -3.541 1.00 0.00 C ATOM 0 H VAL A 23 6.587 6.872 -0.406 1.00 0.00 H new ATOM 0 HA VAL A 23 7.121 7.336 -3.220 1.00 0.00 H new ATOM 0 HB VAL A 23 4.389 6.460 -2.194 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.570 6.921 -4.469 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.152 8.398 -3.665 1.00 0.00 H new ATOM 0 HG13 VAL A 23 5.157 7.602 -4.899 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.578 4.729 -3.932 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.206 5.320 -4.339 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.891 4.612 -2.737 1.00 0.00 H new ATOM 331 N ASP A 24 6.506 9.697 -2.776 1.00 0.00 N ATOM 332 CA ASP A 24 6.226 11.101 -2.496 1.00 0.00 C ATOM 333 C ASP A 24 4.755 11.302 -2.143 1.00 0.00 C ATOM 334 O ASP A 24 3.866 10.643 -2.683 1.00 0.00 O ATOM 335 CB ASP A 24 6.596 11.967 -3.701 1.00 0.00 C ATOM 336 CG ASP A 24 8.039 11.779 -4.128 1.00 0.00 C ATOM 337 OD1 ASP A 24 8.375 10.680 -4.617 1.00 0.00 O ATOM 338 OD2 ASP A 24 8.831 12.731 -3.973 1.00 0.00 O ATOM 0 H ASP A 24 7.130 9.541 -3.568 1.00 0.00 H new ATOM 0 HA ASP A 24 6.831 11.403 -1.641 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.939 11.723 -4.536 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.426 13.016 -3.457 1.00 0.00 H new ATOM 343 N PRO A 25 4.492 12.232 -1.214 1.00 0.00 N ATOM 344 CA PRO A 25 3.130 12.541 -0.767 1.00 0.00 C ATOM 345 C PRO A 25 2.311 13.244 -1.845 1.00 0.00 C ATOM 346 O PRO A 25 1.157 13.610 -1.623 1.00 0.00 O ATOM 347 CB PRO A 25 3.351 13.471 0.429 1.00 0.00 C ATOM 348 CG PRO A 25 4.680 14.096 0.182 1.00 0.00 C ATOM 349 CD PRO A 25 5.502 13.056 -0.528 1.00 0.00 C ATOM 0 HA PRO A 25 2.566 11.640 -0.525 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.566 14.224 0.495 1.00 0.00 H new ATOM 0 HB3 PRO A 25 3.342 12.917 1.368 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.581 14.996 -0.425 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.151 14.393 1.119 1.00 0.00 H new ATOM 0 HD2 PRO A 25 6.199 13.508 -1.234 1.00 0.00 H new ATOM 0 HD3 PRO A 25 6.094 12.466 0.171 1.00 0.00 H new ATOM 357 N LYS A 26 2.915 13.429 -3.013 1.00 0.00 N ATOM 358 CA LYS A 26 2.242 14.087 -4.127 1.00 0.00 C ATOM 359 C LYS A 26 1.285 13.128 -4.828 1.00 0.00 C ATOM 360 O LYS A 26 0.189 13.514 -5.230 1.00 0.00 O ATOM 361 CB LYS A 26 3.271 14.620 -5.127 1.00 0.00 C ATOM 362 CG LYS A 26 3.954 13.531 -5.937 1.00 0.00 C ATOM 363 CD LYS A 26 5.057 14.097 -6.815 1.00 0.00 C ATOM 364 CE LYS A 26 4.493 14.732 -8.077 1.00 0.00 C ATOM 365 NZ LYS A 26 4.040 16.130 -7.840 1.00 0.00 N ATOM 0 H LYS A 26 3.870 13.132 -3.213 1.00 0.00 H new ATOM 0 HA LYS A 26 1.665 14.921 -3.729 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.777 15.313 -5.809 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.028 15.189 -4.588 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.372 12.783 -5.263 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.217 13.023 -6.559 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.625 14.840 -6.255 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.752 13.302 -7.086 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.253 14.724 -8.858 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.656 14.136 -8.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.008 16.184 -7.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.298 16.420 -6.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.497 16.764 -8.526 1.00 0.00 H new ATOM 379 N TYR A 27 1.707 11.876 -4.968 1.00 0.00 N ATOM 380 CA TYR A 27 0.888 10.862 -5.620 1.00 0.00 C ATOM 381 C TYR A 27 -0.056 10.200 -4.623 1.00 0.00 C ATOM 382 O TYR A 27 -1.036 9.560 -5.008 1.00 0.00 O ATOM 383 CB TYR A 27 1.777 9.804 -6.278 1.00 0.00 C ATOM 384 CG TYR A 27 2.803 10.380 -7.227 1.00 0.00 C ATOM 385 CD1 TYR A 27 2.432 11.269 -8.227 1.00 0.00 C ATOM 386 CD2 TYR A 27 4.146 10.035 -7.121 1.00 0.00 C ATOM 387 CE1 TYR A 27 3.368 11.797 -9.096 1.00 0.00 C ATOM 388 CE2 TYR A 27 5.088 10.559 -7.985 1.00 0.00 C ATOM 389 CZ TYR A 27 4.694 11.439 -8.971 1.00 0.00 C ATOM 390 OH TYR A 27 5.628 11.965 -9.835 1.00 0.00 O ATOM 0 H TYR A 27 2.612 11.539 -4.638 1.00 0.00 H new ATOM 0 HA TYR A 27 0.290 11.353 -6.387 1.00 0.00 H new ATOM 0 HB2 TYR A 27 2.291 9.239 -5.500 1.00 0.00 H new ATOM 0 HB3 TYR A 27 1.147 9.099 -6.821 1.00 0.00 H new ATOM 0 HD1 TYR A 27 1.395 11.553 -8.327 1.00 0.00 H new ATOM 0 HD2 TYR A 27 4.458 9.346 -6.350 1.00 0.00 H new ATOM 0 HE1 TYR A 27 3.063 12.487 -9.869 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.127 10.281 -7.889 1.00 0.00 H new ATOM 0 HH TYR A 27 6.527 11.812 -9.477 1.00 0.00 H new ATOM 400 N HIS A 28 0.244 10.358 -3.337 1.00 0.00 N ATOM 401 CA HIS A 28 -0.578 9.777 -2.282 1.00 0.00 C ATOM 402 C HIS A 28 -2.060 10.008 -2.560 1.00 0.00 C ATOM 403 O HIS A 28 -2.845 9.069 -2.694 1.00 0.00 O ATOM 404 CB HIS A 28 -0.201 10.375 -0.927 1.00 0.00 C ATOM 405 CG HIS A 28 0.814 9.569 -0.178 1.00 0.00 C ATOM 406 ND1 HIS A 28 1.801 8.755 -0.621 1.00 0.00 N flip ATOM 407 CD2 HIS A 28 0.887 9.542 1.200 1.00 0.00 C flip ATOM 408 CE1 HIS A 28 2.446 8.258 0.484 1.00 0.00 C flip ATOM 409 NE2 HIS A 28 1.876 8.748 1.570 1.00 0.00 N flip ATOM 0 H HIS A 28 1.051 10.884 -3.001 1.00 0.00 H new ATOM 0 HA HIS A 28 -0.394 8.703 -2.260 1.00 0.00 H new ATOM 0 HB2 HIS A 28 0.187 11.382 -1.079 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.100 10.469 -0.318 1.00 0.00 H new ATOM 0 HD1 HIS A 28 2.024 8.549 -1.595 1.00 0.00 H new ATOM 0 HD2 HIS A 28 0.237 10.085 1.871 1.00 0.00 H new ATOM 0 HE1 HIS A 28 3.284 7.577 0.468 1.00 0.00 H new ATOM 417 N PRO A 29 -2.454 11.288 -2.646 1.00 0.00 N ATOM 418 CA PRO A 29 -3.845 11.671 -2.908 1.00 0.00 C ATOM 419 C PRO A 29 -4.280 11.338 -4.331 1.00 0.00 C ATOM 420 O PRO A 29 -5.461 11.431 -4.668 1.00 0.00 O ATOM 421 CB PRO A 29 -3.842 13.186 -2.690 1.00 0.00 C ATOM 422 CG PRO A 29 -2.435 13.603 -2.949 1.00 0.00 C ATOM 423 CD PRO A 29 -1.573 12.457 -2.496 1.00 0.00 C ATOM 0 HA PRO A 29 -4.544 11.135 -2.265 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -4.534 13.685 -3.368 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -4.150 13.441 -1.676 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.279 13.814 -4.007 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -2.191 14.514 -2.403 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -0.675 12.364 -3.106 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.246 12.584 -1.464 1.00 0.00 H new ATOM 431 N LYS A 30 -3.320 10.951 -5.164 1.00 0.00 N ATOM 432 CA LYS A 30 -3.603 10.602 -6.550 1.00 0.00 C ATOM 433 C LYS A 30 -3.886 9.109 -6.689 1.00 0.00 C ATOM 434 O LYS A 30 -4.506 8.673 -7.660 1.00 0.00 O ATOM 435 CB LYS A 30 -2.426 10.995 -7.447 1.00 0.00 C ATOM 436 CG LYS A 30 -2.191 12.493 -7.519 1.00 0.00 C ATOM 437 CD LYS A 30 -3.048 13.141 -8.595 1.00 0.00 C ATOM 438 CE LYS A 30 -2.499 12.863 -9.986 1.00 0.00 C ATOM 439 NZ LYS A 30 -3.469 13.242 -11.051 1.00 0.00 N ATOM 0 H LYS A 30 -2.337 10.871 -4.902 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.490 11.152 -6.863 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.522 10.511 -7.078 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.604 10.615 -8.453 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.416 12.944 -6.553 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.138 12.688 -7.725 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.069 12.766 -8.524 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.092 14.217 -8.428 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.570 13.416 -10.127 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.256 11.804 -10.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.058 13.037 -11.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.346 12.696 -10.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.681 14.258 -10.982 1.00 0.00 H new ATOM 453 N ILE A 31 -3.428 8.332 -5.714 1.00 0.00 N ATOM 454 CA ILE A 31 -3.635 6.889 -5.727 1.00 0.00 C ATOM 455 C ILE A 31 -4.967 6.518 -5.085 1.00 0.00 C ATOM 456 O ILE A 31 -5.610 5.547 -5.483 1.00 0.00 O ATOM 457 CB ILE A 31 -2.500 6.151 -4.993 1.00 0.00 C ATOM 458 CG1 ILE A 31 -1.144 6.528 -5.593 1.00 0.00 C ATOM 459 CG2 ILE A 31 -2.715 4.646 -5.061 1.00 0.00 C ATOM 460 CD1 ILE A 31 0.004 6.414 -4.613 1.00 0.00 C ATOM 0 H ILE A 31 -2.911 8.677 -4.905 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.641 6.581 -6.773 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.509 6.453 -3.946 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.944 5.886 -6.451 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.193 7.551 -5.966 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.905 4.139 -4.538 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.665 4.393 -4.591 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.730 4.327 -6.103 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.934 6.697 -5.107 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.173 7.077 -3.766 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.079 5.386 -4.259 1.00 0.00 H new ATOM 472 N ILE A 32 -5.375 7.299 -4.091 1.00 0.00 N ATOM 473 CA ILE A 32 -6.632 7.054 -3.395 1.00 0.00 C ATOM 474 C ILE A 32 -7.788 6.920 -4.380 1.00 0.00 C ATOM 475 O ILE A 32 -8.534 5.942 -4.349 1.00 0.00 O ATOM 476 CB ILE A 32 -6.953 8.182 -2.396 1.00 0.00 C ATOM 477 CG1 ILE A 32 -5.978 8.140 -1.216 1.00 0.00 C ATOM 478 CG2 ILE A 32 -8.388 8.067 -1.908 1.00 0.00 C ATOM 479 CD1 ILE A 32 -5.914 9.437 -0.439 1.00 0.00 C ATOM 0 H ILE A 32 -4.854 8.107 -3.749 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.512 6.119 -2.848 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.840 9.140 -2.904 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -6.271 7.336 -0.541 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.982 7.898 -1.587 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -8.598 8.871 -1.203 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.068 8.141 -2.757 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -8.528 7.106 -1.414 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.204 9.335 0.382 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.591 10.242 -1.100 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -6.901 9.670 -0.038 1.00 0.00 H new ATOM 491 N GLY A 33 -7.931 7.909 -5.256 1.00 0.00 N ATOM 492 CA GLY A 33 -8.997 7.882 -6.240 1.00 0.00 C ATOM 493 C GLY A 33 -9.931 9.069 -6.116 1.00 0.00 C ATOM 494 O GLY A 33 -9.897 9.794 -5.121 1.00 0.00 O ATOM 0 H GLY A 33 -7.327 8.730 -5.302 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.564 7.868 -7.240 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.568 6.961 -6.127 1.00 0.00 H new ATOM 498 N ARG A 34 -10.766 9.272 -7.130 1.00 0.00 N ATOM 499 CA ARG A 34 -11.711 10.382 -7.131 1.00 0.00 C ATOM 500 C ARG A 34 -12.491 10.433 -5.821 1.00 0.00 C ATOM 501 O ARG A 34 -12.481 11.445 -5.119 1.00 0.00 O ATOM 502 CB ARG A 34 -12.680 10.253 -8.308 1.00 0.00 C ATOM 503 CG ARG A 34 -12.050 10.575 -9.653 1.00 0.00 C ATOM 504 CD ARG A 34 -11.795 12.066 -9.807 1.00 0.00 C ATOM 505 NE ARG A 34 -10.711 12.343 -10.746 1.00 0.00 N ATOM 506 CZ ARG A 34 -10.479 13.541 -11.269 1.00 0.00 C ATOM 507 NH1 ARG A 34 -11.251 14.570 -10.945 1.00 0.00 N ATOM 508 NH2 ARG A 34 -9.474 13.714 -12.117 1.00 0.00 N ATOM 0 H ARG A 34 -10.807 8.682 -7.961 1.00 0.00 H new ATOM 0 HA ARG A 34 -11.145 11.308 -7.234 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -13.073 9.237 -8.334 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -13.528 10.919 -8.145 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -11.111 10.032 -9.755 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -12.705 10.232 -10.454 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -12.706 12.556 -10.151 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -11.550 12.494 -8.835 1.00 0.00 H new ATOM 0 HE ARG A 34 -10.098 11.573 -11.015 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -12.025 14.442 -10.293 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -11.071 15.490 -11.348 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -8.878 12.926 -12.369 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -9.298 14.635 -12.518 1.00 0.00 H new ATOM 522 N LYS A 35 -13.166 9.336 -5.496 1.00 0.00 N ATOM 523 CA LYS A 35 -13.951 9.254 -4.270 1.00 0.00 C ATOM 524 C LYS A 35 -13.268 8.354 -3.245 1.00 0.00 C ATOM 525 O LYS A 35 -13.566 8.415 -2.053 1.00 0.00 O ATOM 526 CB LYS A 35 -15.355 8.727 -4.573 1.00 0.00 C ATOM 527 CG LYS A 35 -16.256 9.748 -5.247 1.00 0.00 C ATOM 528 CD LYS A 35 -17.610 9.154 -5.593 1.00 0.00 C ATOM 529 CE LYS A 35 -18.594 9.299 -4.442 1.00 0.00 C ATOM 530 NZ LYS A 35 -19.215 10.651 -4.411 1.00 0.00 N ATOM 0 H LYS A 35 -13.185 8.490 -6.066 1.00 0.00 H new ATOM 0 HA LYS A 35 -14.029 10.257 -3.851 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -15.274 7.848 -5.213 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -15.821 8.402 -3.643 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -16.392 10.606 -4.588 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -15.776 10.115 -6.154 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -18.009 9.648 -6.479 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -17.493 8.099 -5.842 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -19.374 8.543 -4.534 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -18.080 9.114 -3.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -19.879 10.710 -3.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -18.473 11.371 -4.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -19.727 10.818 -5.300 1.00 0.00 H new ATOM 544 N GLY A 36 -12.348 7.519 -3.719 1.00 0.00 N ATOM 545 CA GLY A 36 -11.636 6.618 -2.830 1.00 0.00 C ATOM 546 C GLY A 36 -11.967 5.163 -3.094 1.00 0.00 C ATOM 547 O GLY A 36 -11.908 4.332 -2.188 1.00 0.00 O ATOM 0 H GLY A 36 -12.083 7.450 -4.702 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.563 6.770 -2.946 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -11.882 6.862 -1.797 1.00 0.00 H new ATOM 551 N ALA A 37 -12.317 4.852 -4.338 1.00 0.00 N ATOM 552 CA ALA A 37 -12.657 3.487 -4.718 1.00 0.00 C ATOM 553 C ALA A 37 -11.432 2.740 -5.235 1.00 0.00 C ATOM 554 O ALA A 37 -11.236 1.563 -4.929 1.00 0.00 O ATOM 555 CB ALA A 37 -13.758 3.491 -5.769 1.00 0.00 C ATOM 0 H ALA A 37 -12.372 5.528 -5.100 1.00 0.00 H new ATOM 0 HA ALA A 37 -13.019 2.968 -3.830 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -14.002 2.465 -6.044 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -14.645 3.979 -5.365 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.416 4.032 -6.652 1.00 0.00 H new ATOM 561 N VAL A 38 -10.611 3.429 -6.020 1.00 0.00 N ATOM 562 CA VAL A 38 -9.404 2.830 -6.579 1.00 0.00 C ATOM 563 C VAL A 38 -8.641 2.042 -5.520 1.00 0.00 C ATOM 564 O VAL A 38 -8.499 0.824 -5.623 1.00 0.00 O ATOM 565 CB VAL A 38 -8.473 3.900 -7.178 1.00 0.00 C ATOM 566 CG1 VAL A 38 -7.183 3.266 -7.675 1.00 0.00 C ATOM 567 CG2 VAL A 38 -9.175 4.649 -8.301 1.00 0.00 C ATOM 0 H VAL A 38 -10.759 4.403 -6.284 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.723 2.153 -7.371 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.221 4.617 -6.396 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.537 4.037 -8.095 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.673 2.779 -6.844 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.413 2.527 -8.443 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.502 5.401 -8.713 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.458 3.947 -9.085 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.069 5.136 -7.911 1.00 0.00 H new ATOM 577 N ILE A 39 -8.153 2.746 -4.505 1.00 0.00 N ATOM 578 CA ILE A 39 -7.407 2.112 -3.425 1.00 0.00 C ATOM 579 C ILE A 39 -8.143 0.888 -2.891 1.00 0.00 C ATOM 580 O ILE A 39 -7.564 -0.191 -2.757 1.00 0.00 O ATOM 581 CB ILE A 39 -7.153 3.091 -2.265 1.00 0.00 C ATOM 582 CG1 ILE A 39 -6.249 2.446 -1.212 1.00 0.00 C ATOM 583 CG2 ILE A 39 -8.470 3.529 -1.643 1.00 0.00 C ATOM 584 CD1 ILE A 39 -4.840 2.191 -1.699 1.00 0.00 C ATOM 0 H ILE A 39 -8.261 3.756 -4.408 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.450 1.802 -3.844 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.648 3.973 -2.659 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.210 3.091 -0.334 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.691 1.502 -0.894 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -8.273 4.221 -0.824 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -9.082 4.024 -2.397 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.000 2.656 -1.261 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.256 1.733 -0.901 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.868 1.521 -2.558 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.379 3.135 -1.989 1.00 0.00 H new ATOM 596 N THR A 40 -9.426 1.062 -2.589 1.00 0.00 N ATOM 597 CA THR A 40 -10.244 -0.028 -2.070 1.00 0.00 C ATOM 598 C THR A 40 -10.028 -1.307 -2.871 1.00 0.00 C ATOM 599 O THR A 40 -9.599 -2.324 -2.327 1.00 0.00 O ATOM 600 CB THR A 40 -11.741 0.333 -2.094 1.00 0.00 C ATOM 601 OG1 THR A 40 -11.975 1.505 -1.307 1.00 0.00 O ATOM 602 CG2 THR A 40 -12.583 -0.818 -1.564 1.00 0.00 C ATOM 0 H THR A 40 -9.921 1.947 -2.695 1.00 0.00 H new ATOM 0 HA THR A 40 -9.934 -0.192 -1.038 1.00 0.00 H new ATOM 0 HB THR A 40 -12.029 0.527 -3.127 1.00 0.00 H new ATOM 0 HG1 THR A 40 -11.883 2.301 -1.871 1.00 0.00 H new ATOM 0 HG21 THR A 40 -13.637 -0.540 -1.590 1.00 0.00 H new ATOM 0 HG22 THR A 40 -12.425 -1.700 -2.184 1.00 0.00 H new ATOM 0 HG23 THR A 40 -12.292 -1.039 -0.537 1.00 0.00 H new ATOM 610 N GLN A 41 -10.325 -1.247 -4.165 1.00 0.00 N ATOM 611 CA GLN A 41 -10.162 -2.401 -5.040 1.00 0.00 C ATOM 612 C GLN A 41 -8.824 -3.089 -4.791 1.00 0.00 C ATOM 613 O GLN A 41 -8.748 -4.317 -4.728 1.00 0.00 O ATOM 614 CB GLN A 41 -10.266 -1.976 -6.506 1.00 0.00 C ATOM 615 CG GLN A 41 -10.047 -3.116 -7.487 1.00 0.00 C ATOM 616 CD GLN A 41 -11.323 -3.876 -7.793 1.00 0.00 C ATOM 617 OE1 GLN A 41 -12.423 -3.331 -7.690 1.00 0.00 O ATOM 618 NE2 GLN A 41 -11.183 -5.141 -8.172 1.00 0.00 N ATOM 0 H GLN A 41 -10.680 -0.411 -4.630 1.00 0.00 H new ATOM 0 HA GLN A 41 -10.960 -3.109 -4.817 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -11.250 -1.542 -6.681 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.533 -1.193 -6.702 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.634 -2.718 -8.414 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.307 -3.805 -7.079 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -10.252 -5.552 -8.244 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.006 -5.702 -8.391 1.00 0.00 H new ATOM 627 N ILE A 42 -7.772 -2.291 -4.651 1.00 0.00 N ATOM 628 CA ILE A 42 -6.437 -2.823 -4.408 1.00 0.00 C ATOM 629 C ILE A 42 -6.366 -3.536 -3.062 1.00 0.00 C ATOM 630 O ILE A 42 -5.776 -4.611 -2.948 1.00 0.00 O ATOM 631 CB ILE A 42 -5.371 -1.710 -4.443 1.00 0.00 C ATOM 632 CG1 ILE A 42 -5.466 -0.927 -5.755 1.00 0.00 C ATOM 633 CG2 ILE A 42 -3.981 -2.304 -4.273 1.00 0.00 C ATOM 634 CD1 ILE A 42 -4.693 0.374 -5.738 1.00 0.00 C ATOM 0 H ILE A 42 -7.818 -1.273 -4.702 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.232 -3.536 -5.206 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.554 -1.023 -3.617 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.095 -1.550 -6.569 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.514 -0.715 -5.968 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.239 -1.506 -4.300 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.922 -2.823 -3.316 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.785 -3.009 -5.081 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -4.805 0.876 -6.699 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.079 1.016 -4.946 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.638 0.168 -5.557 1.00 0.00 H new ATOM 646 N ARG A 43 -6.971 -2.931 -2.045 1.00 0.00 N ATOM 647 CA ARG A 43 -6.977 -3.509 -0.707 1.00 0.00 C ATOM 648 C ARG A 43 -7.668 -4.868 -0.704 1.00 0.00 C ATOM 649 O ARG A 43 -7.106 -5.862 -0.243 1.00 0.00 O ATOM 650 CB ARG A 43 -7.677 -2.567 0.275 1.00 0.00 C ATOM 651 CG ARG A 43 -6.892 -1.298 0.566 1.00 0.00 C ATOM 652 CD ARG A 43 -7.789 -0.204 1.125 1.00 0.00 C ATOM 653 NE ARG A 43 -8.095 -0.414 2.536 1.00 0.00 N ATOM 654 CZ ARG A 43 -8.594 0.528 3.329 1.00 0.00 C ATOM 655 NH1 ARG A 43 -8.843 1.739 2.849 1.00 0.00 N ATOM 656 NH2 ARG A 43 -8.848 0.260 4.604 1.00 0.00 N ATOM 0 H ARG A 43 -7.463 -2.041 -2.122 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.942 -3.647 -0.394 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.653 -2.296 -0.127 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.854 -3.097 1.211 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -6.096 -1.516 1.278 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -6.414 -0.947 -0.349 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.302 0.763 1.000 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.717 -0.170 0.554 1.00 0.00 H new ATOM 0 HE ARG A 43 -7.916 -1.335 2.936 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -8.651 1.949 1.869 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -9.226 2.461 3.460 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -8.660 -0.671 4.977 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -9.231 0.985 5.211 1.00 0.00 H new ATOM 670 N LEU A 44 -8.892 -4.905 -1.222 1.00 0.00 N ATOM 671 CA LEU A 44 -9.661 -6.143 -1.279 1.00 0.00 C ATOM 672 C LEU A 44 -8.924 -7.206 -2.085 1.00 0.00 C ATOM 673 O LEU A 44 -8.766 -8.340 -1.637 1.00 0.00 O ATOM 674 CB LEU A 44 -11.038 -5.883 -1.894 1.00 0.00 C ATOM 675 CG LEU A 44 -12.024 -5.102 -1.026 1.00 0.00 C ATOM 676 CD1 LEU A 44 -13.051 -4.390 -1.893 1.00 0.00 C ATOM 677 CD2 LEU A 44 -12.713 -6.029 -0.035 1.00 0.00 C ATOM 0 H LEU A 44 -9.372 -4.092 -1.608 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.788 -6.510 -0.260 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.899 -5.341 -2.829 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.488 -6.843 -2.146 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.468 -4.351 -0.465 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -13.745 -3.839 -1.258 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.543 -3.696 -2.563 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -13.602 -5.124 -2.481 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -13.411 -5.456 0.575 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -13.256 -6.803 -0.578 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.966 -6.493 0.609 1.00 0.00 H new ATOM 689 N GLU A 45 -8.472 -6.829 -3.278 1.00 0.00 N ATOM 690 CA GLU A 45 -7.748 -7.751 -4.146 1.00 0.00 C ATOM 691 C GLU A 45 -6.746 -8.579 -3.347 1.00 0.00 C ATOM 692 O GLU A 45 -6.746 -9.808 -3.412 1.00 0.00 O ATOM 693 CB GLU A 45 -7.024 -6.982 -5.252 1.00 0.00 C ATOM 694 CG GLU A 45 -6.836 -7.785 -6.529 1.00 0.00 C ATOM 695 CD GLU A 45 -6.700 -6.905 -7.757 1.00 0.00 C ATOM 696 OE1 GLU A 45 -5.823 -6.016 -7.757 1.00 0.00 O ATOM 697 OE2 GLU A 45 -7.471 -7.108 -8.719 1.00 0.00 O ATOM 0 H GLU A 45 -8.594 -5.893 -3.665 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.473 -8.428 -4.598 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.586 -6.077 -5.481 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.048 -6.666 -4.884 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.948 -8.409 -6.434 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.685 -8.456 -6.660 1.00 0.00 H new ATOM 704 N HIS A 46 -5.891 -7.895 -2.593 1.00 0.00 N ATOM 705 CA HIS A 46 -4.882 -8.566 -1.780 1.00 0.00 C ATOM 706 C HIS A 46 -5.376 -8.756 -0.349 1.00 0.00 C ATOM 707 O HIS A 46 -4.637 -9.226 0.516 1.00 0.00 O ATOM 708 CB HIS A 46 -3.581 -7.762 -1.779 1.00 0.00 C ATOM 709 CG HIS A 46 -3.132 -7.348 -3.147 1.00 0.00 C ATOM 710 ND1 HIS A 46 -3.217 -6.157 -3.784 1.00 0.00 N flip ATOM 711 CD2 HIS A 46 -2.512 -8.208 -4.029 1.00 0.00 C flip ATOM 712 CE1 HIS A 46 -2.653 -6.317 -5.025 1.00 0.00 C flip ATOM 713 NE2 HIS A 46 -2.234 -7.564 -5.147 1.00 0.00 N flip ATOM 0 H HIS A 46 -5.877 -6.877 -2.528 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.694 -9.548 -2.215 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -3.714 -6.872 -1.164 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.796 -8.357 -1.312 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -3.625 -5.300 -3.411 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -2.289 -9.247 -3.835 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -2.566 -5.549 -5.779 1.00 0.00 H new ATOM 721 N ASP A 47 -6.630 -8.391 -0.108 1.00 0.00 N ATOM 722 CA ASP A 47 -7.223 -8.522 1.218 1.00 0.00 C ATOM 723 C ASP A 47 -6.302 -7.942 2.285 1.00 0.00 C ATOM 724 O ASP A 47 -5.985 -8.604 3.274 1.00 0.00 O ATOM 725 CB ASP A 47 -7.518 -9.991 1.524 1.00 0.00 C ATOM 726 CG ASP A 47 -8.881 -10.425 1.022 1.00 0.00 C ATOM 727 OD1 ASP A 47 -9.891 -10.074 1.668 1.00 0.00 O ATOM 728 OD2 ASP A 47 -8.938 -11.116 -0.017 1.00 0.00 O ATOM 0 H ASP A 47 -7.256 -8.002 -0.813 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.158 -7.962 1.228 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.750 -10.615 1.067 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.462 -10.153 2.600 1.00 0.00 H new ATOM 733 N VAL A 48 -5.873 -6.701 2.079 1.00 0.00 N ATOM 734 CA VAL A 48 -4.987 -6.031 3.024 1.00 0.00 C ATOM 735 C VAL A 48 -5.512 -4.645 3.382 1.00 0.00 C ATOM 736 O VAL A 48 -6.534 -4.203 2.858 1.00 0.00 O ATOM 737 CB VAL A 48 -3.560 -5.897 2.458 1.00 0.00 C ATOM 738 CG1 VAL A 48 -3.022 -7.256 2.040 1.00 0.00 C ATOM 739 CG2 VAL A 48 -3.541 -4.924 1.289 1.00 0.00 C ATOM 0 H VAL A 48 -6.125 -6.139 1.266 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.957 -6.648 3.922 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.912 -5.502 3.241 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.013 -7.142 1.643 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.998 -7.920 2.904 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.668 -7.683 1.273 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.526 -4.841 0.901 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.202 -5.288 0.502 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.882 -3.945 1.625 1.00 0.00 H new ATOM 749 N ASN A 49 -4.805 -3.963 4.278 1.00 0.00 N ATOM 750 CA ASN A 49 -5.200 -2.627 4.707 1.00 0.00 C ATOM 751 C ASN A 49 -4.145 -1.596 4.316 1.00 0.00 C ATOM 752 O ASN A 49 -3.011 -1.642 4.796 1.00 0.00 O ATOM 753 CB ASN A 49 -5.422 -2.598 6.221 1.00 0.00 C ATOM 754 CG ASN A 49 -5.943 -1.258 6.703 1.00 0.00 C ATOM 755 OD1 ASN A 49 -5.182 -0.303 6.855 1.00 0.00 O ATOM 756 ND2 ASN A 49 -7.246 -1.183 6.948 1.00 0.00 N ATOM 0 H ASN A 49 -3.956 -4.314 4.721 1.00 0.00 H new ATOM 0 HA ASN A 49 -6.134 -2.373 4.206 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -6.129 -3.380 6.497 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.484 -2.823 6.728 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -7.654 -0.308 7.276 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.839 -2.001 6.808 1.00 0.00 H new ATOM 763 N ILE A 50 -4.525 -0.669 3.445 1.00 0.00 N ATOM 764 CA ILE A 50 -3.613 0.374 2.992 1.00 0.00 C ATOM 765 C ILE A 50 -4.072 1.750 3.462 1.00 0.00 C ATOM 766 O ILE A 50 -5.120 2.241 3.044 1.00 0.00 O ATOM 767 CB ILE A 50 -3.487 0.384 1.457 1.00 0.00 C ATOM 768 CG1 ILE A 50 -2.934 -0.953 0.960 1.00 0.00 C ATOM 769 CG2 ILE A 50 -2.596 1.532 1.006 1.00 0.00 C ATOM 770 CD1 ILE A 50 -3.306 -1.266 -0.472 1.00 0.00 C ATOM 0 H ILE A 50 -5.459 -0.618 3.038 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.639 0.151 3.427 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.478 0.528 1.027 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.848 -0.944 1.051 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.301 -1.751 1.605 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.517 1.526 -0.081 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.028 2.478 1.333 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.604 1.416 1.443 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.880 -2.228 -0.757 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.391 -1.308 -0.565 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.915 -0.488 -1.128 1.00 0.00 H new ATOM 782 N GLN A 51 -3.280 2.366 4.334 1.00 0.00 N ATOM 783 CA GLN A 51 -3.605 3.686 4.861 1.00 0.00 C ATOM 784 C GLN A 51 -2.559 4.713 4.440 1.00 0.00 C ATOM 785 O GLN A 51 -1.402 4.372 4.200 1.00 0.00 O ATOM 786 CB GLN A 51 -3.708 3.640 6.386 1.00 0.00 C ATOM 787 CG GLN A 51 -4.548 4.761 6.975 1.00 0.00 C ATOM 788 CD GLN A 51 -6.036 4.502 6.853 1.00 0.00 C ATOM 789 OE1 GLN A 51 -6.464 3.600 6.132 1.00 0.00 O ATOM 790 NE2 GLN A 51 -6.836 5.292 7.560 1.00 0.00 N ATOM 0 H GLN A 51 -2.409 1.972 4.690 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.568 3.986 4.449 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.135 2.683 6.684 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.705 3.687 6.811 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.290 4.889 8.026 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.303 5.696 6.471 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -6.439 6.028 8.145 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -7.847 5.163 7.518 1.00 0.00 H new ATOM 799 N PHE A 52 -2.975 5.973 4.353 1.00 0.00 N ATOM 800 CA PHE A 52 -2.074 7.049 3.960 1.00 0.00 C ATOM 801 C PHE A 52 -1.916 8.065 5.087 1.00 0.00 C ATOM 802 O PHE A 52 -2.838 8.317 5.864 1.00 0.00 O ATOM 803 CB PHE A 52 -2.595 7.745 2.701 1.00 0.00 C ATOM 804 CG PHE A 52 -2.705 6.832 1.513 1.00 0.00 C ATOM 805 CD1 PHE A 52 -1.625 6.645 0.665 1.00 0.00 C ATOM 806 CD2 PHE A 52 -3.888 6.163 1.244 1.00 0.00 C ATOM 807 CE1 PHE A 52 -1.722 5.805 -0.429 1.00 0.00 C ATOM 808 CE2 PHE A 52 -3.990 5.321 0.153 1.00 0.00 C ATOM 809 CZ PHE A 52 -2.907 5.143 -0.686 1.00 0.00 C ATOM 0 H PHE A 52 -3.930 6.273 4.549 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.098 6.612 3.748 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.575 8.174 2.912 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.931 8.573 2.452 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.697 7.161 0.861 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.740 6.301 1.894 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.873 5.667 -1.082 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.916 4.802 -0.044 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.987 4.488 -1.541 1.00 0.00 H new ATOM 819 N PRO A 53 -0.718 8.662 5.182 1.00 0.00 N ATOM 820 CA PRO A 53 -0.411 9.660 6.211 1.00 0.00 C ATOM 821 C PRO A 53 -1.156 10.971 5.989 1.00 0.00 C ATOM 822 O PRO A 53 -1.711 11.208 4.915 1.00 0.00 O ATOM 823 CB PRO A 53 1.098 9.871 6.060 1.00 0.00 C ATOM 824 CG PRO A 53 1.391 9.508 4.645 1.00 0.00 C ATOM 825 CD PRO A 53 0.426 8.411 4.291 1.00 0.00 C ATOM 0 HA PRO A 53 -0.713 9.327 7.204 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.376 10.904 6.270 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.657 9.243 6.754 1.00 0.00 H new ATOM 0 HG2 PRO A 53 1.263 10.368 3.987 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.422 9.172 4.534 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.135 8.455 3.241 1.00 0.00 H new ATOM 0 HD3 PRO A 53 0.859 7.425 4.461 1.00 0.00 H new ATOM 833 N ASP A 54 -1.168 11.820 7.011 1.00 0.00 N ATOM 834 CA ASP A 54 -1.845 13.110 6.926 1.00 0.00 C ATOM 835 C ASP A 54 -0.852 14.256 7.081 1.00 0.00 C ATOM 836 O ASP A 54 -0.177 14.374 8.104 1.00 0.00 O ATOM 837 CB ASP A 54 -2.931 13.210 7.998 1.00 0.00 C ATOM 838 CG ASP A 54 -4.022 14.194 7.627 1.00 0.00 C ATOM 839 OD1 ASP A 54 -4.901 13.828 6.820 1.00 0.00 O ATOM 840 OD2 ASP A 54 -3.998 15.329 8.145 1.00 0.00 O ATOM 0 H ASP A 54 -0.717 11.639 7.908 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.308 13.186 5.942 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.372 12.226 8.157 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.478 13.513 8.942 1.00 0.00 H new ATOM 845 N LYS A 55 -0.767 15.100 6.058 1.00 0.00 N ATOM 846 CA LYS A 55 0.144 16.239 6.079 1.00 0.00 C ATOM 847 C LYS A 55 -0.060 17.076 7.337 1.00 0.00 C ATOM 848 O LYS A 55 0.897 17.596 7.911 1.00 0.00 O ATOM 849 CB LYS A 55 -0.065 17.108 4.836 1.00 0.00 C ATOM 850 CG LYS A 55 -1.482 17.635 4.694 1.00 0.00 C ATOM 851 CD LYS A 55 -1.828 17.919 3.242 1.00 0.00 C ATOM 852 CE LYS A 55 -2.384 16.683 2.550 1.00 0.00 C ATOM 853 NZ LYS A 55 -1.324 15.670 2.288 1.00 0.00 N ATOM 0 H LYS A 55 -1.318 15.017 5.204 1.00 0.00 H new ATOM 0 HA LYS A 55 1.165 15.856 6.080 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.625 17.951 4.872 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.188 16.526 3.950 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.184 16.907 5.101 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.593 18.547 5.281 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.560 18.725 3.192 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.938 18.263 2.715 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.164 16.240 3.169 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.850 16.973 1.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.614 15.061 1.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.435 16.152 2.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.182 15.088 3.138 1.00 0.00 H new ATOM 867 N ASP A 56 -1.313 17.201 7.763 1.00 0.00 N ATOM 868 CA ASP A 56 -1.642 17.973 8.955 1.00 0.00 C ATOM 869 C ASP A 56 -0.853 17.472 10.162 1.00 0.00 C ATOM 870 O ASP A 56 -0.321 18.263 10.940 1.00 0.00 O ATOM 871 CB ASP A 56 -3.142 17.893 9.243 1.00 0.00 C ATOM 872 CG ASP A 56 -3.646 19.090 10.025 1.00 0.00 C ATOM 873 OD1 ASP A 56 -3.337 19.182 11.232 1.00 0.00 O ATOM 874 OD2 ASP A 56 -4.350 19.933 9.432 1.00 0.00 O ATOM 0 H ASP A 56 -2.117 16.777 7.300 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.370 19.012 8.771 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.687 17.822 8.301 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.353 16.982 9.803 1.00 0.00 H new ATOM 879 N ASP A 57 -0.782 16.154 10.310 1.00 0.00 N ATOM 880 CA ASP A 57 -0.058 15.547 11.421 1.00 0.00 C ATOM 881 C ASP A 57 1.382 16.048 11.470 1.00 0.00 C ATOM 882 O ASP A 57 1.786 16.712 12.424 1.00 0.00 O ATOM 883 CB ASP A 57 -0.077 14.023 11.298 1.00 0.00 C ATOM 884 CG ASP A 57 -0.013 13.333 12.647 1.00 0.00 C ATOM 885 OD1 ASP A 57 1.110 13.078 13.130 1.00 0.00 O ATOM 886 OD2 ASP A 57 -1.086 13.048 13.219 1.00 0.00 O ATOM 0 H ASP A 57 -1.217 15.485 9.675 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.555 15.835 12.347 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.984 13.715 10.778 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.766 13.700 10.687 1.00 0.00 H new ATOM 891 N GLY A 58 2.151 15.725 10.435 1.00 0.00 N ATOM 892 CA GLY A 58 3.538 16.149 10.380 1.00 0.00 C ATOM 893 C GLY A 58 4.484 15.111 10.947 1.00 0.00 C ATOM 894 O GLY A 58 5.186 14.427 10.202 1.00 0.00 O ATOM 0 H GLY A 58 1.838 15.177 9.633 1.00 0.00 H new ATOM 0 HA2 GLY A 58 3.810 16.358 9.345 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.652 17.081 10.934 1.00 0.00 H new ATOM 898 N ASN A 59 4.506 14.991 12.271 1.00 0.00 N ATOM 899 CA ASN A 59 5.377 14.030 12.938 1.00 0.00 C ATOM 900 C ASN A 59 5.468 12.734 12.139 1.00 0.00 C ATOM 901 O ASN A 59 6.509 12.078 12.119 1.00 0.00 O ATOM 902 CB ASN A 59 4.861 13.738 14.348 1.00 0.00 C ATOM 903 CG ASN A 59 5.393 14.720 15.374 1.00 0.00 C ATOM 904 OD1 ASN A 59 5.188 16.007 15.122 1.00 0.00 O flip ATOM 905 ND2 ASN A 59 5.982 14.326 16.381 1.00 0.00 N flip ATOM 0 H ASN A 59 3.930 15.548 12.903 1.00 0.00 H new ATOM 0 HA ASN A 59 6.374 14.465 13.006 1.00 0.00 H new ATOM 0 HB2 ASN A 59 3.772 13.772 14.347 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.148 12.726 14.635 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.117 13.327 16.535 1.00 0.00 H new ATOM 0 HD22 ASN A 59 6.335 14.999 17.062 1.00 0.00 H new ATOM 912 N GLN A 60 4.372 12.372 11.480 1.00 0.00 N ATOM 913 CA GLN A 60 4.329 11.155 10.679 1.00 0.00 C ATOM 914 C GLN A 60 4.788 11.426 9.251 1.00 0.00 C ATOM 915 O GLN A 60 4.644 12.531 8.726 1.00 0.00 O ATOM 916 CB GLN A 60 2.914 10.574 10.671 1.00 0.00 C ATOM 917 CG GLN A 60 2.443 10.098 12.036 1.00 0.00 C ATOM 918 CD GLN A 60 1.039 9.528 12.004 1.00 0.00 C ATOM 919 OE1 GLN A 60 0.767 8.483 12.595 1.00 0.00 O ATOM 920 NE2 GLN A 60 0.137 10.214 11.311 1.00 0.00 N ATOM 0 H GLN A 60 3.502 12.904 11.485 1.00 0.00 H new ATOM 0 HA GLN A 60 5.009 10.431 11.128 1.00 0.00 H new ATOM 0 HB2 GLN A 60 2.222 11.330 10.301 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.877 9.739 9.972 1.00 0.00 H new ATOM 0 HG2 GLN A 60 3.131 9.339 12.409 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.477 10.931 12.738 1.00 0.00 H new ATOM 0 HE21 GLN A 60 0.406 11.076 10.836 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.825 9.879 11.254 1.00 0.00 H new ATOM 929 N PRO A 61 5.354 10.397 8.604 1.00 0.00 N ATOM 930 CA PRO A 61 5.846 10.500 7.228 1.00 0.00 C ATOM 931 C PRO A 61 4.713 10.638 6.216 1.00 0.00 C ATOM 932 O PRO A 61 3.715 9.923 6.289 1.00 0.00 O ATOM 933 CB PRO A 61 6.592 9.179 7.017 1.00 0.00 C ATOM 934 CG PRO A 61 5.959 8.230 7.974 1.00 0.00 C ATOM 935 CD PRO A 61 5.558 9.051 9.169 1.00 0.00 C ATOM 0 HA PRO A 61 6.467 11.384 7.083 1.00 0.00 H new ATOM 0 HB2 PRO A 61 6.494 8.829 5.989 1.00 0.00 H new ATOM 0 HB3 PRO A 61 7.658 9.290 7.216 1.00 0.00 H new ATOM 0 HG2 PRO A 61 5.092 7.744 7.526 1.00 0.00 H new ATOM 0 HG3 PRO A 61 6.655 7.441 8.259 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.649 8.668 9.633 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.333 9.050 9.936 1.00 0.00 H new ATOM 943 N GLN A 62 4.877 11.562 5.275 1.00 0.00 N ATOM 944 CA GLN A 62 3.866 11.792 4.249 1.00 0.00 C ATOM 945 C GLN A 62 4.179 10.995 2.987 1.00 0.00 C ATOM 946 O GLN A 62 3.314 10.803 2.132 1.00 0.00 O ATOM 947 CB GLN A 62 3.779 13.283 3.916 1.00 0.00 C ATOM 948 CG GLN A 62 3.560 14.167 5.133 1.00 0.00 C ATOM 949 CD GLN A 62 2.318 13.786 5.915 1.00 0.00 C ATOM 950 OE1 GLN A 62 1.235 13.642 5.348 1.00 0.00 O ATOM 951 NE2 GLN A 62 2.470 13.621 7.224 1.00 0.00 N ATOM 0 H GLN A 62 5.698 12.162 5.201 1.00 0.00 H new ATOM 0 HA GLN A 62 2.905 11.456 4.639 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.698 13.589 3.416 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.964 13.442 3.210 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.430 14.102 5.786 1.00 0.00 H new ATOM 0 HG3 GLN A 62 3.479 15.206 4.813 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.387 13.751 7.651 1.00 0.00 H new ATOM 0 HE22 GLN A 62 1.670 13.364 7.802 1.00 0.00 H new ATOM 960 N ASP A 63 5.420 10.534 2.877 1.00 0.00 N ATOM 961 CA ASP A 63 5.847 9.756 1.721 1.00 0.00 C ATOM 962 C ASP A 63 5.789 8.261 2.019 1.00 0.00 C ATOM 963 O ASP A 63 5.911 7.433 1.116 1.00 0.00 O ATOM 964 CB ASP A 63 7.266 10.151 1.308 1.00 0.00 C ATOM 965 CG ASP A 63 8.324 9.319 2.005 1.00 0.00 C ATOM 966 OD1 ASP A 63 8.446 8.120 1.677 1.00 0.00 O ATOM 967 OD2 ASP A 63 9.030 9.866 2.879 1.00 0.00 O ATOM 0 H ASP A 63 6.148 10.686 3.575 1.00 0.00 H new ATOM 0 HA ASP A 63 5.164 9.971 0.899 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.372 10.038 0.229 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.428 11.205 1.536 1.00 0.00 H new ATOM 972 N GLN A 64 5.602 7.923 3.291 1.00 0.00 N ATOM 973 CA GLN A 64 5.530 6.528 3.707 1.00 0.00 C ATOM 974 C GLN A 64 4.080 6.061 3.797 1.00 0.00 C ATOM 975 O GLN A 64 3.252 6.702 4.444 1.00 0.00 O ATOM 976 CB GLN A 64 6.223 6.340 5.057 1.00 0.00 C ATOM 977 CG GLN A 64 7.711 6.647 5.025 1.00 0.00 C ATOM 978 CD GLN A 64 8.551 5.431 4.689 1.00 0.00 C ATOM 979 OE1 GLN A 64 9.160 4.821 5.570 1.00 0.00 O ATOM 980 NE2 GLN A 64 8.590 5.072 3.412 1.00 0.00 N ATOM 0 H GLN A 64 5.498 8.596 4.050 1.00 0.00 H new ATOM 0 HA GLN A 64 6.041 5.925 2.957 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.744 6.983 5.795 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.080 5.312 5.389 1.00 0.00 H new ATOM 0 HG2 GLN A 64 7.901 7.429 4.290 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.018 7.039 5.995 1.00 0.00 H new ATOM 0 HE21 GLN A 64 8.070 5.606 2.716 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.140 4.262 3.127 1.00 0.00 H new ATOM 989 N ILE A 65 3.783 4.943 3.144 1.00 0.00 N ATOM 990 CA ILE A 65 2.434 4.390 3.152 1.00 0.00 C ATOM 991 C ILE A 65 2.343 3.172 4.066 1.00 0.00 C ATOM 992 O ILE A 65 3.127 2.230 3.943 1.00 0.00 O ATOM 993 CB ILE A 65 1.982 3.990 1.735 1.00 0.00 C ATOM 994 CG1 ILE A 65 2.128 5.173 0.777 1.00 0.00 C ATOM 995 CG2 ILE A 65 0.542 3.495 1.759 1.00 0.00 C ATOM 996 CD1 ILE A 65 2.017 4.787 -0.682 1.00 0.00 C ATOM 0 H ILE A 65 4.458 4.402 2.603 1.00 0.00 H new ATOM 0 HA ILE A 65 1.775 5.172 3.528 1.00 0.00 H new ATOM 0 HB ILE A 65 2.619 3.179 1.381 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.362 5.914 1.008 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.094 5.650 0.946 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.236 3.216 0.751 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.466 2.627 2.414 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.109 4.287 2.129 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.130 5.676 -1.303 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.799 4.070 -0.929 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.041 4.337 -0.866 1.00 0.00 H new ATOM 1008 N THR A 66 1.380 3.197 4.982 1.00 0.00 N ATOM 1009 CA THR A 66 1.186 2.096 5.916 1.00 0.00 C ATOM 1010 C THR A 66 0.385 0.967 5.276 1.00 0.00 C ATOM 1011 O THR A 66 -0.682 1.197 4.706 1.00 0.00 O ATOM 1012 CB THR A 66 0.463 2.563 7.194 1.00 0.00 C ATOM 1013 OG1 THR A 66 -0.465 3.607 6.877 1.00 0.00 O ATOM 1014 CG2 THR A 66 1.461 3.061 8.229 1.00 0.00 C ATOM 0 H THR A 66 0.722 3.968 5.097 1.00 0.00 H new ATOM 0 HA THR A 66 2.177 1.729 6.182 1.00 0.00 H new ATOM 0 HB THR A 66 -0.076 1.713 7.612 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.804 4.006 7.705 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.927 3.385 9.122 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.148 2.256 8.489 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.024 3.899 7.818 1.00 0.00 H new ATOM 1022 N ILE A 67 0.906 -0.251 5.376 1.00 0.00 N ATOM 1023 CA ILE A 67 0.237 -1.415 4.809 1.00 0.00 C ATOM 1024 C ILE A 67 0.364 -2.626 5.728 1.00 0.00 C ATOM 1025 O ILE A 67 1.468 -3.104 5.994 1.00 0.00 O ATOM 1026 CB ILE A 67 0.808 -1.774 3.424 1.00 0.00 C ATOM 1027 CG1 ILE A 67 0.611 -0.612 2.450 1.00 0.00 C ATOM 1028 CG2 ILE A 67 0.150 -3.038 2.890 1.00 0.00 C ATOM 1029 CD1 ILE A 67 1.105 -0.904 1.051 1.00 0.00 C ATOM 0 H ILE A 67 1.789 -0.457 5.844 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.815 -1.152 4.702 1.00 0.00 H new ATOM 0 HB ILE A 67 1.877 -1.960 3.526 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.449 -0.361 2.407 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.131 0.265 2.834 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.564 -3.278 1.911 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.338 -3.864 3.576 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.925 -2.879 2.800 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.933 -0.035 0.416 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.172 -1.126 1.081 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.567 -1.762 0.647 1.00 0.00 H new ATOM 1041 N THR A 68 -0.772 -3.118 6.210 1.00 0.00 N ATOM 1042 CA THR A 68 -0.788 -4.273 7.099 1.00 0.00 C ATOM 1043 C THR A 68 -1.380 -5.494 6.404 1.00 0.00 C ATOM 1044 O THR A 68 -2.205 -5.367 5.500 1.00 0.00 O ATOM 1045 CB THR A 68 -1.594 -3.986 8.380 1.00 0.00 C ATOM 1046 OG1 THR A 68 -1.193 -2.730 8.940 1.00 0.00 O ATOM 1047 CG2 THR A 68 -1.394 -5.090 9.405 1.00 0.00 C ATOM 0 H THR A 68 -1.694 -2.735 6.000 1.00 0.00 H new ATOM 0 HA THR A 68 0.248 -4.478 7.368 1.00 0.00 H new ATOM 0 HB THR A 68 -2.651 -3.945 8.116 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.711 -2.554 9.753 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.973 -4.864 10.300 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.728 -6.040 8.987 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.337 -5.159 9.664 1.00 0.00 H new ATOM 1055 N GLY A 69 -0.953 -6.678 6.833 1.00 0.00 N ATOM 1056 CA GLY A 69 -1.452 -7.905 6.240 1.00 0.00 C ATOM 1057 C GLY A 69 -0.360 -8.936 6.033 1.00 0.00 C ATOM 1058 O GLY A 69 0.771 -8.750 6.484 1.00 0.00 O ATOM 0 H GLY A 69 -0.271 -6.809 7.580 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.227 -8.325 6.881 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.919 -7.678 5.282 1.00 0.00 H new ATOM 1062 N TYR A 70 -0.696 -10.024 5.350 1.00 0.00 N ATOM 1063 CA TYR A 70 0.263 -11.088 5.087 1.00 0.00 C ATOM 1064 C TYR A 70 1.492 -10.548 4.361 1.00 0.00 C ATOM 1065 O TYR A 70 1.389 -10.015 3.257 1.00 0.00 O ATOM 1066 CB TYR A 70 -0.387 -12.197 4.256 1.00 0.00 C ATOM 1067 CG TYR A 70 -1.419 -12.998 5.018 1.00 0.00 C ATOM 1068 CD1 TYR A 70 -1.146 -13.492 6.287 1.00 0.00 C ATOM 1069 CD2 TYR A 70 -2.668 -13.259 4.468 1.00 0.00 C ATOM 1070 CE1 TYR A 70 -2.086 -14.225 6.986 1.00 0.00 C ATOM 1071 CE2 TYR A 70 -3.615 -13.989 5.160 1.00 0.00 C ATOM 1072 CZ TYR A 70 -3.318 -14.470 6.419 1.00 0.00 C ATOM 1073 OH TYR A 70 -4.258 -15.199 7.112 1.00 0.00 O ATOM 0 H TYR A 70 -1.627 -10.192 4.968 1.00 0.00 H new ATOM 0 HA TYR A 70 0.581 -11.499 6.045 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -0.858 -11.754 3.379 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.389 -12.871 3.894 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.182 -13.300 6.735 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -2.903 -12.885 3.482 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -1.857 -14.604 7.971 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -4.582 -14.182 4.719 1.00 0.00 H new ATOM 0 HH TYR A 70 -5.072 -15.280 6.572 1.00 0.00 H new ATOM 1083 N GLU A 71 2.654 -10.693 4.990 1.00 0.00 N ATOM 1084 CA GLU A 71 3.903 -10.219 4.406 1.00 0.00 C ATOM 1085 C GLU A 71 3.913 -10.438 2.895 1.00 0.00 C ATOM 1086 O GLU A 71 4.541 -9.683 2.151 1.00 0.00 O ATOM 1087 CB GLU A 71 5.094 -10.936 5.043 1.00 0.00 C ATOM 1088 CG GLU A 71 6.397 -10.746 4.284 1.00 0.00 C ATOM 1089 CD GLU A 71 7.586 -11.354 5.002 1.00 0.00 C ATOM 1090 OE1 GLU A 71 7.456 -12.489 5.508 1.00 0.00 O ATOM 1091 OE2 GLU A 71 8.645 -10.696 5.059 1.00 0.00 O ATOM 0 H GLU A 71 2.756 -11.135 5.904 1.00 0.00 H new ATOM 0 HA GLU A 71 3.984 -9.150 4.603 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.222 -10.574 6.063 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.873 -12.001 5.108 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.306 -11.196 3.295 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.574 -9.681 4.134 1.00 0.00 H new ATOM 1098 N LYS A 72 3.215 -11.477 2.449 1.00 0.00 N ATOM 1099 CA LYS A 72 3.142 -11.796 1.028 1.00 0.00 C ATOM 1100 C LYS A 72 2.192 -10.846 0.305 1.00 0.00 C ATOM 1101 O LYS A 72 2.593 -10.131 -0.612 1.00 0.00 O ATOM 1102 CB LYS A 72 2.680 -13.242 0.833 1.00 0.00 C ATOM 1103 CG LYS A 72 3.779 -14.265 1.056 1.00 0.00 C ATOM 1104 CD LYS A 72 4.745 -14.313 -0.116 1.00 0.00 C ATOM 1105 CE LYS A 72 5.805 -15.385 0.077 1.00 0.00 C ATOM 1106 NZ LYS A 72 5.267 -16.750 -0.176 1.00 0.00 N ATOM 0 H LYS A 72 2.692 -12.113 3.051 1.00 0.00 H new ATOM 0 HA LYS A 72 4.139 -11.678 0.603 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.858 -13.448 1.519 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.288 -13.356 -0.178 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.324 -14.021 1.968 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.336 -15.250 1.203 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.193 -14.508 -1.036 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.226 -13.342 -0.232 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.641 -15.194 -0.596 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.195 -15.331 1.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.021 -17.452 -0.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.486 -16.943 0.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.918 -16.810 -1.154 1.00 0.00 H new ATOM 1120 N ASN A 73 0.931 -10.844 0.725 1.00 0.00 N ATOM 1121 CA ASN A 73 -0.076 -9.982 0.117 1.00 0.00 C ATOM 1122 C ASN A 73 0.367 -8.522 0.150 1.00 0.00 C ATOM 1123 O ASN A 73 0.445 -7.860 -0.887 1.00 0.00 O ATOM 1124 CB ASN A 73 -1.415 -10.136 0.842 1.00 0.00 C ATOM 1125 CG ASN A 73 -2.143 -11.405 0.447 1.00 0.00 C ATOM 1126 OD1 ASN A 73 -1.826 -12.026 -0.568 1.00 0.00 O ATOM 1127 ND2 ASN A 73 -3.126 -11.798 1.249 1.00 0.00 N ATOM 0 H ASN A 73 0.582 -11.430 1.484 1.00 0.00 H new ATOM 0 HA ASN A 73 -0.197 -10.284 -0.923 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.244 -10.139 1.919 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.046 -9.275 0.621 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -3.652 -12.645 1.034 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -3.355 -11.253 2.080 1.00 0.00 H new ATOM 1134 N THR A 74 0.659 -8.024 1.347 1.00 0.00 N ATOM 1135 CA THR A 74 1.093 -6.643 1.517 1.00 0.00 C ATOM 1136 C THR A 74 2.062 -6.233 0.413 1.00 0.00 C ATOM 1137 O THR A 74 1.928 -5.161 -0.176 1.00 0.00 O ATOM 1138 CB THR A 74 1.770 -6.430 2.884 1.00 0.00 C ATOM 1139 OG1 THR A 74 2.741 -7.458 3.115 1.00 0.00 O ATOM 1140 CG2 THR A 74 0.740 -6.437 4.004 1.00 0.00 C ATOM 0 H THR A 74 0.603 -8.557 2.215 1.00 0.00 H new ATOM 0 HA THR A 74 0.199 -6.022 1.463 1.00 0.00 H new ATOM 0 HB THR A 74 2.265 -5.459 2.873 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.083 -7.386 4.031 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.241 -6.285 4.960 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.019 -5.636 3.841 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.221 -7.395 4.015 1.00 0.00 H new ATOM 1148 N GLU A 75 3.038 -7.093 0.139 1.00 0.00 N ATOM 1149 CA GLU A 75 4.029 -6.819 -0.894 1.00 0.00 C ATOM 1150 C GLU A 75 3.379 -6.771 -2.274 1.00 0.00 C ATOM 1151 O GLU A 75 3.778 -5.985 -3.133 1.00 0.00 O ATOM 1152 CB GLU A 75 5.129 -7.883 -0.873 1.00 0.00 C ATOM 1153 CG GLU A 75 6.064 -7.770 0.319 1.00 0.00 C ATOM 1154 CD GLU A 75 7.099 -6.674 0.145 1.00 0.00 C ATOM 1155 OE1 GLU A 75 7.465 -6.381 -1.011 1.00 0.00 O ATOM 1156 OE2 GLU A 75 7.543 -6.112 1.168 1.00 0.00 O ATOM 0 H GLU A 75 3.163 -7.985 0.618 1.00 0.00 H new ATOM 0 HA GLU A 75 4.472 -5.845 -0.686 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.667 -8.870 -0.869 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.713 -7.808 -1.790 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.479 -7.574 1.218 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.571 -8.723 0.470 1.00 0.00 H new ATOM 1163 N ALA A 76 2.375 -7.617 -2.477 1.00 0.00 N ATOM 1164 CA ALA A 76 1.668 -7.672 -3.751 1.00 0.00 C ATOM 1165 C ALA A 76 0.835 -6.414 -3.970 1.00 0.00 C ATOM 1166 O ALA A 76 0.674 -5.952 -5.099 1.00 0.00 O ATOM 1167 CB ALA A 76 0.784 -8.909 -3.812 1.00 0.00 C ATOM 0 H ALA A 76 2.033 -8.274 -1.776 1.00 0.00 H new ATOM 0 HA ALA A 76 2.410 -7.730 -4.548 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.262 -8.937 -4.769 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.400 -9.802 -3.709 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.055 -8.876 -3.002 1.00 0.00 H new ATOM 1173 N ALA A 77 0.305 -5.863 -2.881 1.00 0.00 N ATOM 1174 CA ALA A 77 -0.511 -4.658 -2.955 1.00 0.00 C ATOM 1175 C ALA A 77 0.360 -3.406 -2.987 1.00 0.00 C ATOM 1176 O ALA A 77 0.035 -2.429 -3.662 1.00 0.00 O ATOM 1177 CB ALA A 77 -1.476 -4.602 -1.780 1.00 0.00 C ATOM 0 H ALA A 77 0.427 -6.233 -1.938 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.085 -4.693 -3.881 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.079 -3.697 -1.848 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.128 -5.475 -1.803 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.913 -4.594 -0.847 1.00 0.00 H new ATOM 1183 N ARG A 78 1.467 -3.444 -2.253 1.00 0.00 N ATOM 1184 CA ARG A 78 2.384 -2.311 -2.197 1.00 0.00 C ATOM 1185 C ARG A 78 3.039 -2.073 -3.555 1.00 0.00 C ATOM 1186 O ARG A 78 3.456 -0.957 -3.867 1.00 0.00 O ATOM 1187 CB ARG A 78 3.460 -2.550 -1.135 1.00 0.00 C ATOM 1188 CG ARG A 78 4.668 -3.313 -1.654 1.00 0.00 C ATOM 1189 CD ARG A 78 5.732 -2.370 -2.193 1.00 0.00 C ATOM 1190 NE ARG A 78 6.683 -3.058 -3.062 1.00 0.00 N ATOM 1191 CZ ARG A 78 7.921 -2.628 -3.282 1.00 0.00 C ATOM 1192 NH1 ARG A 78 8.354 -1.519 -2.700 1.00 0.00 N ATOM 1193 NH2 ARG A 78 8.727 -3.309 -4.086 1.00 0.00 N ATOM 0 H ARG A 78 1.751 -4.245 -1.690 1.00 0.00 H new ATOM 0 HA ARG A 78 1.809 -1.424 -1.930 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.790 -1.589 -0.741 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.022 -3.102 -0.303 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.090 -3.919 -0.852 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.356 -3.999 -2.441 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.254 -1.562 -2.747 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.267 -1.913 -1.360 1.00 0.00 H new ATOM 0 HE ARG A 78 6.381 -3.915 -3.525 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.737 -0.993 -2.081 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.305 -1.191 -2.871 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.397 -4.163 -4.536 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.677 -2.979 -4.255 1.00 0.00 H new ATOM 1207 N ASP A 79 3.126 -3.128 -4.356 1.00 0.00 N ATOM 1208 CA ASP A 79 3.728 -3.034 -5.681 1.00 0.00 C ATOM 1209 C ASP A 79 2.931 -2.090 -6.575 1.00 0.00 C ATOM 1210 O ASP A 79 3.498 -1.381 -7.407 1.00 0.00 O ATOM 1211 CB ASP A 79 3.812 -4.418 -6.326 1.00 0.00 C ATOM 1212 CG ASP A 79 4.812 -4.467 -7.464 1.00 0.00 C ATOM 1213 OD1 ASP A 79 5.966 -4.038 -7.259 1.00 0.00 O ATOM 1214 OD2 ASP A 79 4.439 -4.933 -8.562 1.00 0.00 O ATOM 0 H ASP A 79 2.787 -4.059 -4.112 1.00 0.00 H new ATOM 0 HA ASP A 79 4.735 -2.633 -5.567 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.091 -5.152 -5.570 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.828 -4.702 -6.699 1.00 0.00 H new ATOM 1219 N ALA A 80 1.614 -2.087 -6.399 1.00 0.00 N ATOM 1220 CA ALA A 80 0.740 -1.230 -7.189 1.00 0.00 C ATOM 1221 C ALA A 80 1.088 0.242 -6.991 1.00 0.00 C ATOM 1222 O ALA A 80 1.416 0.945 -7.946 1.00 0.00 O ATOM 1223 CB ALA A 80 -0.717 -1.483 -6.825 1.00 0.00 C ATOM 0 H ALA A 80 1.129 -2.669 -5.716 1.00 0.00 H new ATOM 0 HA ALA A 80 0.889 -1.473 -8.241 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -1.359 -0.836 -7.423 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.966 -2.525 -7.024 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.870 -1.269 -5.767 1.00 0.00 H new ATOM 1229 N ILE A 81 1.014 0.701 -5.745 1.00 0.00 N ATOM 1230 CA ILE A 81 1.321 2.088 -5.424 1.00 0.00 C ATOM 1231 C ILE A 81 2.478 2.606 -6.272 1.00 0.00 C ATOM 1232 O ILE A 81 2.468 3.752 -6.723 1.00 0.00 O ATOM 1233 CB ILE A 81 1.678 2.255 -3.935 1.00 0.00 C ATOM 1234 CG1 ILE A 81 0.504 1.818 -3.055 1.00 0.00 C ATOM 1235 CG2 ILE A 81 2.060 3.697 -3.640 1.00 0.00 C ATOM 1236 CD1 ILE A 81 0.862 1.686 -1.592 1.00 0.00 C ATOM 0 H ILE A 81 0.744 0.132 -4.943 1.00 0.00 H new ATOM 0 HA ILE A 81 0.424 2.668 -5.643 1.00 0.00 H new ATOM 0 HB ILE A 81 2.534 1.620 -3.708 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.306 2.540 -3.159 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.126 0.861 -3.416 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.309 3.799 -2.584 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.923 3.976 -4.245 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.222 4.352 -3.879 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.017 1.373 -1.029 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.650 0.942 -1.476 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.212 2.647 -1.215 1.00 0.00 H new ATOM 1248 N LEU A 82 3.474 1.753 -6.489 1.00 0.00 N ATOM 1249 CA LEU A 82 4.638 2.124 -7.286 1.00 0.00 C ATOM 1250 C LEU A 82 4.327 2.037 -8.777 1.00 0.00 C ATOM 1251 O LEU A 82 4.588 2.975 -9.530 1.00 0.00 O ATOM 1252 CB LEU A 82 5.821 1.216 -6.948 1.00 0.00 C ATOM 1253 CG LEU A 82 6.143 1.060 -5.460 1.00 0.00 C ATOM 1254 CD1 LEU A 82 7.186 -0.028 -5.251 1.00 0.00 C ATOM 1255 CD2 LEU A 82 6.625 2.380 -4.878 1.00 0.00 C ATOM 0 H LEU A 82 3.498 0.801 -6.124 1.00 0.00 H new ATOM 0 HA LEU A 82 4.898 3.155 -7.047 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.625 0.227 -7.363 1.00 0.00 H new ATOM 0 HB3 LEU A 82 6.706 1.603 -7.452 1.00 0.00 H new ATOM 0 HG LEU A 82 5.231 0.767 -4.939 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.403 -0.125 -4.187 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.805 -0.976 -5.631 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.099 0.236 -5.785 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.849 2.251 -3.819 1.00 0.00 H new ATOM 0 HD22 LEU A 82 7.524 2.702 -5.403 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.847 3.135 -4.994 1.00 0.00 H new ATOM 1267 N ARG A 83 3.766 0.907 -9.194 1.00 0.00 N ATOM 1268 CA ARG A 83 3.419 0.698 -10.596 1.00 0.00 C ATOM 1269 C ARG A 83 2.760 1.944 -11.182 1.00 0.00 C ATOM 1270 O ARG A 83 2.918 2.240 -12.367 1.00 0.00 O ATOM 1271 CB ARG A 83 2.481 -0.502 -10.737 1.00 0.00 C ATOM 1272 CG ARG A 83 2.620 -1.230 -12.064 1.00 0.00 C ATOM 1273 CD ARG A 83 2.297 -2.709 -11.924 1.00 0.00 C ATOM 1274 NE ARG A 83 3.481 -3.499 -11.598 1.00 0.00 N ATOM 1275 CZ ARG A 83 4.512 -3.653 -12.423 1.00 0.00 C ATOM 1276 NH1 ARG A 83 4.503 -3.074 -13.614 1.00 0.00 N ATOM 1277 NH2 ARG A 83 5.553 -4.389 -12.054 1.00 0.00 N ATOM 0 H ARG A 83 3.542 0.122 -8.582 1.00 0.00 H new ATOM 0 HA ARG A 83 4.338 0.499 -11.148 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.677 -1.203 -9.925 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.451 -0.163 -10.624 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.954 -0.779 -12.799 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.636 -1.112 -12.440 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.546 -2.844 -11.146 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.862 -3.075 -12.854 1.00 0.00 H new ATOM 0 HE ARG A 83 3.519 -3.958 -10.688 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.704 -2.508 -13.900 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.295 -3.194 -14.245 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.562 -4.836 -11.137 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.344 -4.507 -12.687 1.00 0.00 H new ATOM 1291 N ILE A 84 2.024 2.667 -10.347 1.00 0.00 N ATOM 1292 CA ILE A 84 1.343 3.880 -10.784 1.00 0.00 C ATOM 1293 C ILE A 84 2.303 5.064 -10.830 1.00 0.00 C ATOM 1294 O ILE A 84 2.528 5.655 -11.886 1.00 0.00 O ATOM 1295 CB ILE A 84 0.162 4.227 -9.858 1.00 0.00 C ATOM 1296 CG1 ILE A 84 -0.715 2.994 -9.630 1.00 0.00 C ATOM 1297 CG2 ILE A 84 -0.658 5.364 -10.450 1.00 0.00 C ATOM 1298 CD1 ILE A 84 -1.544 3.069 -8.367 1.00 0.00 C ATOM 0 H ILE A 84 1.883 2.435 -9.364 1.00 0.00 H new ATOM 0 HA ILE A 84 0.963 3.684 -11.787 1.00 0.00 H new ATOM 0 HB ILE A 84 0.557 4.552 -8.895 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.380 2.868 -10.485 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.080 2.109 -9.586 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.489 5.598 -9.785 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -0.027 6.245 -10.567 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.046 5.064 -11.423 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.141 2.162 -8.269 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.885 3.164 -7.504 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.205 3.935 -8.416 1.00 0.00 H new ATOM 1310 N VAL A 85 2.869 5.404 -9.676 1.00 0.00 N ATOM 1311 CA VAL A 85 3.809 6.515 -9.585 1.00 0.00 C ATOM 1312 C VAL A 85 4.696 6.589 -10.823 1.00 0.00 C ATOM 1313 O VAL A 85 5.040 7.674 -11.288 1.00 0.00 O ATOM 1314 CB VAL A 85 4.700 6.394 -8.335 1.00 0.00 C ATOM 1315 CG1 VAL A 85 5.734 7.510 -8.306 1.00 0.00 C ATOM 1316 CG2 VAL A 85 3.852 6.411 -7.071 1.00 0.00 C ATOM 0 H VAL A 85 2.693 4.926 -8.792 1.00 0.00 H new ATOM 0 HA VAL A 85 3.216 7.426 -9.513 1.00 0.00 H new ATOM 0 HB VAL A 85 5.228 5.441 -8.379 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.354 7.408 -7.416 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.362 7.448 -9.195 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.227 8.475 -8.287 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.499 6.325 -6.198 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.295 7.347 -7.019 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.154 5.574 -7.090 1.00 0.00 H new ATOM 1326 N GLY A 86 5.061 5.425 -11.352 1.00 0.00 N ATOM 1327 CA GLY A 86 5.905 5.380 -12.532 1.00 0.00 C ATOM 1328 C GLY A 86 5.240 6.002 -13.745 1.00 0.00 C ATOM 1329 O GLY A 86 5.875 6.739 -14.498 1.00 0.00 O ATOM 0 H GLY A 86 4.788 4.513 -10.985 1.00 0.00 H new ATOM 0 HA2 GLY A 86 6.840 5.902 -12.326 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.160 4.344 -12.753 1.00 0.00 H new ATOM 1333 N GLU A 87 3.959 5.704 -13.932 1.00 0.00 N ATOM 1334 CA GLU A 87 3.208 6.239 -15.063 1.00 0.00 C ATOM 1335 C GLU A 87 2.910 7.722 -14.866 1.00 0.00 C ATOM 1336 O GLU A 87 3.063 8.525 -15.787 1.00 0.00 O ATOM 1337 CB GLU A 87 1.902 5.464 -15.248 1.00 0.00 C ATOM 1338 CG GLU A 87 0.736 6.039 -14.462 1.00 0.00 C ATOM 1339 CD GLU A 87 -0.567 5.314 -14.736 1.00 0.00 C ATOM 1340 OE1 GLU A 87 -0.578 4.068 -14.669 1.00 0.00 O ATOM 1341 OE2 GLU A 87 -1.576 5.995 -15.018 1.00 0.00 O ATOM 0 H GLU A 87 3.419 5.096 -13.316 1.00 0.00 H new ATOM 0 HA GLU A 87 3.819 6.126 -15.959 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.644 5.451 -16.307 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.058 4.429 -14.945 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.960 5.986 -13.397 1.00 0.00 H new ATOM 0 HG3 GLU A 87 0.620 7.094 -14.711 1.00 0.00 H new ATOM 1348 N LEU A 88 2.483 8.077 -13.660 1.00 0.00 N ATOM 1349 CA LEU A 88 2.161 9.465 -13.340 1.00 0.00 C ATOM 1350 C LEU A 88 3.342 10.382 -13.645 1.00 0.00 C ATOM 1351 O LEU A 88 3.160 11.520 -14.074 1.00 0.00 O ATOM 1352 CB LEU A 88 1.769 9.592 -11.867 1.00 0.00 C ATOM 1353 CG LEU A 88 0.819 8.520 -11.331 1.00 0.00 C ATOM 1354 CD1 LEU A 88 0.413 8.835 -9.899 1.00 0.00 C ATOM 1355 CD2 LEU A 88 -0.409 8.403 -12.222 1.00 0.00 C ATOM 0 H LEU A 88 2.351 7.424 -12.887 1.00 0.00 H new ATOM 0 HA LEU A 88 1.318 9.769 -13.961 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.679 9.576 -11.267 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.306 10.567 -11.718 1.00 0.00 H new ATOM 0 HG LEU A 88 1.340 7.563 -11.337 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.263 8.062 -9.534 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.301 8.868 -9.268 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.090 9.801 -9.868 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.074 7.636 -11.826 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.932 9.359 -12.248 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.101 8.131 -13.232 1.00 0.00 H new ATOM 1367 N GLU A 89 4.550 9.875 -13.422 1.00 0.00 N ATOM 1368 CA GLU A 89 5.761 10.649 -13.674 1.00 0.00 C ATOM 1369 C GLU A 89 5.853 11.049 -15.144 1.00 0.00 C ATOM 1370 O GLU A 89 6.037 12.223 -15.467 1.00 0.00 O ATOM 1371 CB GLU A 89 7.000 9.844 -13.274 1.00 0.00 C ATOM 1372 CG GLU A 89 7.418 10.049 -11.828 1.00 0.00 C ATOM 1373 CD GLU A 89 8.888 9.759 -11.599 1.00 0.00 C ATOM 1374 OE1 GLU A 89 9.332 8.643 -11.942 1.00 0.00 O ATOM 1375 OE2 GLU A 89 9.595 10.647 -11.079 1.00 0.00 O ATOM 0 H GLU A 89 4.717 8.933 -13.068 1.00 0.00 H new ATOM 0 HA GLU A 89 5.716 11.555 -13.070 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.804 8.785 -13.440 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.829 10.121 -13.926 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.204 11.077 -11.534 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.820 9.403 -11.186 1.00 0.00 H new ATOM 1382 N GLN A 90 5.725 10.066 -16.028 1.00 0.00 N ATOM 1383 CA GLN A 90 5.796 10.316 -17.463 1.00 0.00 C ATOM 1384 C GLN A 90 4.856 11.449 -17.866 1.00 0.00 C ATOM 1385 O GLN A 90 5.236 12.345 -18.619 1.00 0.00 O ATOM 1386 CB GLN A 90 5.447 9.046 -18.242 1.00 0.00 C ATOM 1387 CG GLN A 90 5.346 9.262 -19.743 1.00 0.00 C ATOM 1388 CD GLN A 90 6.693 9.515 -20.389 1.00 0.00 C ATOM 1389 OE1 GLN A 90 7.602 8.689 -20.301 1.00 0.00 O ATOM 1390 NE2 GLN A 90 6.830 10.663 -21.042 1.00 0.00 N ATOM 0 H GLN A 90 5.572 9.089 -15.777 1.00 0.00 H new ATOM 0 HA GLN A 90 6.817 10.612 -17.704 1.00 0.00 H new ATOM 0 HB2 GLN A 90 6.204 8.288 -18.043 1.00 0.00 H new ATOM 0 HB3 GLN A 90 4.499 8.654 -17.875 1.00 0.00 H new ATOM 0 HG2 GLN A 90 4.886 8.387 -20.202 1.00 0.00 H new ATOM 0 HG3 GLN A 90 4.688 10.108 -19.941 1.00 0.00 H new ATOM 0 HE21 GLN A 90 6.050 11.319 -21.090 1.00 0.00 H new ATOM 0 HE22 GLN A 90 7.715 10.889 -21.496 1.00 0.00 H new ATOM 1399 N MET A 91 3.629 11.399 -17.359 1.00 0.00 N ATOM 1400 CA MET A 91 2.635 12.422 -17.666 1.00 0.00 C ATOM 1401 C MET A 91 3.199 13.818 -17.423 1.00 0.00 C ATOM 1402 O MET A 91 4.265 13.972 -16.827 1.00 0.00 O ATOM 1403 CB MET A 91 1.379 12.212 -16.818 1.00 0.00 C ATOM 1404 CG MET A 91 0.815 10.804 -16.906 1.00 0.00 C ATOM 1405 SD MET A 91 -0.659 10.582 -15.890 1.00 0.00 S ATOM 1406 CE MET A 91 -1.844 11.576 -16.791 1.00 0.00 C ATOM 0 H MET A 91 3.299 10.663 -16.735 1.00 0.00 H new ATOM 0 HA MET A 91 2.372 12.334 -18.720 1.00 0.00 H new ATOM 0 HB2 MET A 91 1.612 12.437 -15.777 1.00 0.00 H new ATOM 0 HB3 MET A 91 0.614 12.921 -17.134 1.00 0.00 H new ATOM 0 HG2 MET A 91 0.573 10.578 -17.945 1.00 0.00 H new ATOM 0 HG3 MET A 91 1.578 10.091 -16.594 1.00 0.00 H new ATOM 0 HE1 MET A 91 -2.852 11.335 -16.454 1.00 0.00 H new ATOM 0 HE2 MET A 91 -1.644 12.632 -16.612 1.00 0.00 H new ATOM 0 HE3 MET A 91 -1.759 11.367 -17.857 1.00 0.00 H new ATOM 1416 N SER A 92 2.477 14.832 -17.889 1.00 0.00 N ATOM 1417 CA SER A 92 2.909 16.216 -17.727 1.00 0.00 C ATOM 1418 C SER A 92 2.004 16.955 -16.745 1.00 0.00 C ATOM 1419 O SER A 92 0.781 16.939 -16.879 1.00 0.00 O ATOM 1420 CB SER A 92 2.910 16.934 -19.078 1.00 0.00 C ATOM 1421 OG SER A 92 1.618 16.928 -19.659 1.00 0.00 O ATOM 0 H SER A 92 1.591 14.722 -18.382 1.00 0.00 H new ATOM 0 HA SER A 92 3.923 16.211 -17.327 1.00 0.00 H new ATOM 0 HB2 SER A 92 3.249 17.962 -18.947 1.00 0.00 H new ATOM 0 HB3 SER A 92 3.617 16.449 -19.751 1.00 0.00 H new ATOM 0 HG SER A 92 0.943 17.024 -18.956 1.00 0.00 H new ATOM 1427 N GLY A 93 2.615 17.604 -15.759 1.00 0.00 N ATOM 1428 CA GLY A 93 1.851 18.339 -14.769 1.00 0.00 C ATOM 1429 C GLY A 93 2.680 19.394 -14.063 1.00 0.00 C ATOM 1430 O GLY A 93 2.509 20.594 -14.275 1.00 0.00 O ATOM 0 H GLY A 93 3.626 17.634 -15.628 1.00 0.00 H new ATOM 0 HA2 GLY A 93 0.998 18.815 -15.253 1.00 0.00 H new ATOM 0 HA3 GLY A 93 1.451 17.642 -14.032 1.00 0.00 H new ATOM 1434 N PRO A 94 3.602 18.946 -13.198 1.00 0.00 N ATOM 1435 CA PRO A 94 4.478 19.843 -12.439 1.00 0.00 C ATOM 1436 C PRO A 94 5.505 20.537 -13.326 1.00 0.00 C ATOM 1437 O PRO A 94 5.540 20.321 -14.538 1.00 0.00 O ATOM 1438 CB PRO A 94 5.174 18.905 -11.448 1.00 0.00 C ATOM 1439 CG PRO A 94 5.139 17.568 -12.104 1.00 0.00 C ATOM 1440 CD PRO A 94 3.861 17.528 -12.895 1.00 0.00 C ATOM 0 HA PRO A 94 3.921 20.650 -11.964 1.00 0.00 H new ATOM 0 HB2 PRO A 94 6.198 19.224 -11.253 1.00 0.00 H new ATOM 0 HB3 PRO A 94 4.657 18.889 -10.488 1.00 0.00 H new ATOM 0 HG2 PRO A 94 6.004 17.429 -12.753 1.00 0.00 H new ATOM 0 HG3 PRO A 94 5.164 16.769 -11.363 1.00 0.00 H new ATOM 0 HD2 PRO A 94 3.970 16.936 -13.804 1.00 0.00 H new ATOM 0 HD3 PRO A 94 3.047 17.085 -12.321 1.00 0.00 H new ATOM 1448 N SER A 95 6.341 21.371 -12.716 1.00 0.00 N ATOM 1449 CA SER A 95 7.368 22.100 -13.453 1.00 0.00 C ATOM 1450 C SER A 95 8.748 21.848 -12.853 1.00 0.00 C ATOM 1451 O SER A 95 9.763 21.944 -13.542 1.00 0.00 O ATOM 1452 CB SER A 95 7.063 23.598 -13.446 1.00 0.00 C ATOM 1453 OG SER A 95 7.923 24.298 -14.329 1.00 0.00 O ATOM 0 H SER A 95 6.328 21.559 -11.714 1.00 0.00 H new ATOM 0 HA SER A 95 7.367 21.741 -14.482 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.026 23.762 -13.737 1.00 0.00 H new ATOM 0 HB3 SER A 95 7.176 23.991 -12.436 1.00 0.00 H new ATOM 0 HG SER A 95 7.707 25.254 -14.307 1.00 0.00 H new ATOM 1459 N SER A 96 8.777 21.522 -11.565 1.00 0.00 N ATOM 1460 CA SER A 96 10.032 21.259 -10.870 1.00 0.00 C ATOM 1461 C SER A 96 9.827 20.253 -9.742 1.00 0.00 C ATOM 1462 O SER A 96 8.782 20.234 -9.093 1.00 0.00 O ATOM 1463 CB SER A 96 10.611 22.559 -10.309 1.00 0.00 C ATOM 1464 OG SER A 96 11.007 23.432 -11.353 1.00 0.00 O ATOM 0 H SER A 96 7.945 21.434 -10.981 1.00 0.00 H new ATOM 0 HA SER A 96 10.735 20.836 -11.588 1.00 0.00 H new ATOM 0 HB2 SER A 96 9.868 23.051 -9.681 1.00 0.00 H new ATOM 0 HB3 SER A 96 11.468 22.335 -9.673 1.00 0.00 H new ATOM 0 HG SER A 96 11.372 24.256 -10.969 1.00 0.00 H new ATOM 1470 N GLY A 97 10.834 19.416 -9.514 1.00 0.00 N ATOM 1471 CA GLY A 97 10.747 18.417 -8.464 1.00 0.00 C ATOM 1472 C GLY A 97 12.073 18.195 -7.764 1.00 0.00 C ATOM 1473 O GLY A 97 13.109 18.049 -8.413 1.00 0.00 O ATOM 0 H GLY A 97 11.709 19.412 -10.038 1.00 0.00 H new ATOM 0 HA2 GLY A 97 10.001 18.727 -7.732 1.00 0.00 H new ATOM 0 HA3 GLY A 97 10.403 17.475 -8.891 1.00 0.00 H new TER 1477 GLY A 97