USER MOD reduce.3.24.130724 H: found=0, std=0, add=946, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 944 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 60 HIS : no HD1:sc= -4.16! C(o=-4.2!,f=-4!) USER MOD Set 1.2: A 62 LYS NZ :NH3+ -110:sc= 0.00919 (180deg=0) USER MOD Set 2.1: A 37 CYS SG : rot -72:sc= 0.193 USER MOD Set 2.2: A 43 THR OG1 : rot 180:sc= 0.02 USER MOD Single : A 1 GLY N :NH3+ -108:sc= 0.0582 (180deg=0) USER MOD Single : A 2 SER OG : rot -27:sc= 0.885 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc=-0.00124 USER MOD Single : A 6 SER OG : rot 33:sc= 0.922 USER MOD Single : A 8 THR OG1 : rot -43:sc= 0.901 USER MOD Single : A 12 LYS NZ :NH3+ 163:sc= -0.0133 (180deg=-0.227) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0333) USER MOD Single : A 33 ASN : amide:sc= -0.257 K(o=-0.26,f=-5.1!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0122 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0.0265 USER MOD Single : A 44 GLN :FLIP amide:sc= -2.26! C(o=-2.9!,f=-2.3!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -1.54 K(o=-1.5,f=-5!) USER MOD Single : A 54 ASN : amide:sc= -0.226 X(o=-0.23,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.0514 K(o=-0.051,f=-1.8!) USER MOD Single : A 63 THR OG1 : rot 170:sc= -0.0749 USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 14:sc= 0.25 USER MOD Single : A 75 THR OG1 : rot 30:sc= 0.245 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 SER OG : rot -89:sc= -1.72! USER MOD Single : A 82 MET CE :methyl -164:sc= -0.0247 (180deg=-0.459) USER MOD Single : A 83 GLN : amide:sc= -0.508 X(o=-0.51,f=-0.027) USER MOD Single : A 91 GLN :FLIP amide:sc=-0.00239 F(o=-0.84,f=-0.0024) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 HIS : no HE2:sc= -0.0664 X(o=-0.066,f=-0.043) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 103 CYS SG : rot 180:sc= 0 USER MOD Single : A 104 TYR OH : rot 111:sc= -0.89 USER MOD Single : A 106 THR OG1 : rot -120:sc= -0.399 USER MOD Single : A 109 LYS NZ :NH3+ -159:sc= -0.0642 (180deg=-0.35) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 MET CE :methyl 156:sc= -0.295 (180deg=-0.467) USER MOD Single : A 122 ASN : amide:sc= 0 X(o=0,f=-0.029) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.997 -17.140 -20.985 1.00 0.00 N ATOM 2 CA GLY A 1 -26.993 -16.998 -19.947 1.00 0.00 C ATOM 3 C GLY A 1 -26.867 -15.570 -19.454 1.00 0.00 C ATOM 4 O GLY A 1 -27.249 -14.629 -20.150 1.00 0.00 O ATOM 0 H1 GLY A 1 -28.826 -17.638 -20.601 1.00 0.00 H new ATOM 0 H2 GLY A 1 -28.284 -16.199 -21.322 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.602 -17.686 -21.777 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -27.247 -17.647 -19.109 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -26.029 -17.333 -20.330 1.00 0.00 H new ATOM 8 N SER A 2 -26.331 -15.407 -18.248 1.00 0.00 N ATOM 9 CA SER A 2 -26.161 -14.084 -17.659 1.00 0.00 C ATOM 10 C SER A 2 -27.471 -13.303 -17.692 1.00 0.00 C ATOM 11 O SER A 2 -27.483 -12.100 -17.956 1.00 0.00 O ATOM 12 CB SER A 2 -25.073 -13.308 -18.403 1.00 0.00 C ATOM 13 OG SER A 2 -25.580 -12.731 -19.594 1.00 0.00 O ATOM 0 H SER A 2 -26.007 -16.175 -17.660 1.00 0.00 H new ATOM 0 HA SER A 2 -25.860 -14.212 -16.619 1.00 0.00 H new ATOM 0 HB2 SER A 2 -24.675 -12.525 -17.757 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.245 -13.976 -18.643 1.00 0.00 H new ATOM 0 HG SER A 2 -26.334 -13.265 -19.921 1.00 0.00 H new ATOM 19 N SER A 3 -28.573 -13.995 -17.422 1.00 0.00 N ATOM 20 CA SER A 3 -29.890 -13.368 -17.424 1.00 0.00 C ATOM 21 C SER A 3 -29.890 -12.102 -16.572 1.00 0.00 C ATOM 22 O SER A 3 -30.269 -11.028 -17.037 1.00 0.00 O ATOM 23 CB SER A 3 -30.944 -14.347 -16.903 1.00 0.00 C ATOM 24 OG SER A 3 -32.248 -13.803 -17.023 1.00 0.00 O ATOM 0 H SER A 3 -28.580 -14.990 -17.199 1.00 0.00 H new ATOM 0 HA SER A 3 -30.134 -13.094 -18.450 1.00 0.00 H new ATOM 0 HB2 SER A 3 -30.884 -15.282 -17.460 1.00 0.00 H new ATOM 0 HB3 SER A 3 -30.740 -14.584 -15.859 1.00 0.00 H new ATOM 0 HG SER A 3 -32.904 -14.448 -16.685 1.00 0.00 H new ATOM 30 N GLY A 4 -29.461 -12.238 -15.321 1.00 0.00 N ATOM 31 CA GLY A 4 -29.420 -11.098 -14.424 1.00 0.00 C ATOM 32 C GLY A 4 -28.590 -9.956 -14.975 1.00 0.00 C ATOM 33 O GLY A 4 -27.411 -10.128 -15.284 1.00 0.00 O ATOM 0 H GLY A 4 -29.141 -13.117 -14.913 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -30.436 -10.748 -14.239 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -29.010 -11.410 -13.463 1.00 0.00 H new ATOM 37 N SER A 5 -29.207 -8.785 -15.100 1.00 0.00 N ATOM 38 CA SER A 5 -28.520 -7.611 -15.624 1.00 0.00 C ATOM 39 C SER A 5 -28.551 -6.467 -14.614 1.00 0.00 C ATOM 40 O SER A 5 -29.456 -6.384 -13.783 1.00 0.00 O ATOM 41 CB SER A 5 -29.160 -7.163 -16.939 1.00 0.00 C ATOM 42 OG SER A 5 -28.595 -5.945 -17.392 1.00 0.00 O ATOM 0 H SER A 5 -30.182 -8.625 -14.845 1.00 0.00 H new ATOM 0 HA SER A 5 -27.480 -7.882 -15.808 1.00 0.00 H new ATOM 0 HB2 SER A 5 -29.022 -7.935 -17.696 1.00 0.00 H new ATOM 0 HB3 SER A 5 -30.234 -7.040 -16.801 1.00 0.00 H new ATOM 0 HG SER A 5 -29.020 -5.681 -18.235 1.00 0.00 H new ATOM 48 N SER A 6 -27.557 -5.589 -14.693 1.00 0.00 N ATOM 49 CA SER A 6 -27.468 -4.452 -13.784 1.00 0.00 C ATOM 50 C SER A 6 -28.766 -3.650 -13.789 1.00 0.00 C ATOM 51 O SER A 6 -29.097 -2.989 -14.772 1.00 0.00 O ATOM 52 CB SER A 6 -26.296 -3.550 -14.176 1.00 0.00 C ATOM 53 OG SER A 6 -26.490 -2.993 -15.465 1.00 0.00 O ATOM 0 H SER A 6 -26.802 -5.643 -15.377 1.00 0.00 H new ATOM 0 HA SER A 6 -27.302 -4.835 -12.777 1.00 0.00 H new ATOM 0 HB2 SER A 6 -26.188 -2.750 -13.443 1.00 0.00 H new ATOM 0 HB3 SER A 6 -25.370 -4.124 -14.160 1.00 0.00 H new ATOM 0 HG SER A 6 -27.447 -2.843 -15.616 1.00 0.00 H new ATOM 59 N GLY A 7 -29.497 -3.713 -12.680 1.00 0.00 N ATOM 60 CA GLY A 7 -30.751 -2.989 -12.576 1.00 0.00 C ATOM 61 C GLY A 7 -31.899 -3.878 -12.141 1.00 0.00 C ATOM 62 O GLY A 7 -32.539 -3.626 -11.120 1.00 0.00 O ATOM 0 H GLY A 7 -29.243 -4.252 -11.852 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -30.637 -2.172 -11.863 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -30.989 -2.540 -13.540 1.00 0.00 H new ATOM 66 N THR A 8 -32.165 -4.923 -12.920 1.00 0.00 N ATOM 67 CA THR A 8 -33.246 -5.850 -12.612 1.00 0.00 C ATOM 68 C THR A 8 -32.802 -6.893 -11.592 1.00 0.00 C ATOM 69 O THR A 8 -33.440 -7.934 -11.438 1.00 0.00 O ATOM 70 CB THR A 8 -33.747 -6.569 -13.879 1.00 0.00 C ATOM 71 OG1 THR A 8 -34.914 -7.340 -13.575 1.00 0.00 O ATOM 72 CG2 THR A 8 -32.668 -7.477 -14.449 1.00 0.00 C ATOM 0 H THR A 8 -31.646 -5.148 -13.769 1.00 0.00 H new ATOM 0 HA THR A 8 -34.060 -5.259 -12.192 1.00 0.00 H new ATOM 0 HB THR A 8 -33.995 -5.813 -14.625 1.00 0.00 H new ATOM 0 HG1 THR A 8 -34.785 -7.807 -12.723 1.00 0.00 H new ATOM 0 HG21 THR A 8 -33.045 -7.974 -15.343 1.00 0.00 H new ATOM 0 HG22 THR A 8 -31.791 -6.883 -14.707 1.00 0.00 H new ATOM 0 HG23 THR A 8 -32.393 -8.226 -13.706 1.00 0.00 H new ATOM 80 N GLU A 9 -31.705 -6.605 -10.898 1.00 0.00 N ATOM 81 CA GLU A 9 -31.177 -7.520 -9.892 1.00 0.00 C ATOM 82 C GLU A 9 -31.859 -7.299 -8.545 1.00 0.00 C ATOM 83 O GLU A 9 -32.591 -6.327 -8.360 1.00 0.00 O ATOM 84 CB GLU A 9 -29.665 -7.336 -9.748 1.00 0.00 C ATOM 85 CG GLU A 9 -28.868 -7.918 -10.903 1.00 0.00 C ATOM 86 CD GLU A 9 -27.389 -7.594 -10.813 1.00 0.00 C ATOM 87 OE1 GLU A 9 -27.053 -6.426 -10.526 1.00 0.00 O ATOM 88 OE2 GLU A 9 -26.568 -8.509 -11.029 1.00 0.00 O ATOM 0 H GLU A 9 -31.166 -5.747 -11.014 1.00 0.00 H new ATOM 0 HA GLU A 9 -31.382 -8.539 -10.220 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -29.443 -6.272 -9.664 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -29.337 -7.804 -8.820 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -28.999 -9.000 -10.921 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -29.264 -7.533 -11.843 1.00 0.00 H new ATOM 95 N ARG A 10 -31.612 -8.209 -7.608 1.00 0.00 N ATOM 96 CA ARG A 10 -32.203 -8.115 -6.278 1.00 0.00 C ATOM 97 C ARG A 10 -31.221 -8.593 -5.212 1.00 0.00 C ATOM 98 O ARG A 10 -30.347 -9.416 -5.485 1.00 0.00 O ATOM 99 CB ARG A 10 -33.489 -8.940 -6.209 1.00 0.00 C ATOM 100 CG ARG A 10 -33.249 -10.441 -6.180 1.00 0.00 C ATOM 101 CD ARG A 10 -32.991 -10.991 -7.574 1.00 0.00 C ATOM 102 NE ARG A 10 -34.128 -10.778 -8.465 1.00 0.00 N ATOM 103 CZ ARG A 10 -34.020 -10.694 -9.787 1.00 0.00 C ATOM 104 NH1 ARG A 10 -32.833 -10.805 -10.367 1.00 0.00 N ATOM 105 NH2 ARG A 10 -35.102 -10.499 -10.531 1.00 0.00 N ATOM 0 H ARG A 10 -31.007 -9.019 -7.745 1.00 0.00 H new ATOM 0 HA ARG A 10 -32.440 -7.069 -6.086 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -34.048 -8.653 -5.318 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -34.113 -8.697 -7.069 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -32.397 -10.662 -5.537 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -34.115 -10.941 -5.745 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -32.106 -10.513 -7.994 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -32.776 -12.058 -7.509 1.00 0.00 H new ATOM 0 HE ARG A 10 -35.056 -10.689 -8.050 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -32.000 -10.955 -9.798 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -32.753 -10.740 -11.382 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -36.017 -10.414 -10.088 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -35.018 -10.435 -11.546 1.00 0.00 H new ATOM 119 N GLU A 11 -31.372 -8.071 -3.999 1.00 0.00 N ATOM 120 CA GLU A 11 -30.497 -8.444 -2.894 1.00 0.00 C ATOM 121 C GLU A 11 -30.432 -9.961 -2.739 1.00 0.00 C ATOM 122 O GLU A 11 -31.132 -10.698 -3.434 1.00 0.00 O ATOM 123 CB GLU A 11 -30.986 -7.808 -1.590 1.00 0.00 C ATOM 124 CG GLU A 11 -32.307 -8.373 -1.096 1.00 0.00 C ATOM 125 CD GLU A 11 -33.503 -7.758 -1.794 1.00 0.00 C ATOM 126 OE1 GLU A 11 -33.629 -6.515 -1.773 1.00 0.00 O ATOM 127 OE2 GLU A 11 -34.314 -8.519 -2.363 1.00 0.00 O ATOM 0 H GLU A 11 -32.091 -7.389 -3.757 1.00 0.00 H new ATOM 0 HA GLU A 11 -29.496 -8.076 -3.117 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -30.228 -7.951 -0.819 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -31.092 -6.733 -1.737 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -32.317 -9.452 -1.250 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -32.391 -8.204 -0.023 1.00 0.00 H new ATOM 134 N LYS A 12 -29.586 -10.421 -1.824 1.00 0.00 N ATOM 135 CA LYS A 12 -29.428 -11.849 -1.576 1.00 0.00 C ATOM 136 C LYS A 12 -29.958 -12.223 -0.196 1.00 0.00 C ATOM 137 O LYS A 12 -29.599 -11.605 0.807 1.00 0.00 O ATOM 138 CB LYS A 12 -27.955 -12.248 -1.694 1.00 0.00 C ATOM 139 CG LYS A 12 -27.630 -13.576 -1.033 1.00 0.00 C ATOM 140 CD LYS A 12 -28.231 -14.742 -1.798 1.00 0.00 C ATOM 141 CE LYS A 12 -27.440 -15.047 -3.061 1.00 0.00 C ATOM 142 NZ LYS A 12 -26.100 -15.617 -2.752 1.00 0.00 N ATOM 0 H LYS A 12 -28.998 -9.825 -1.241 1.00 0.00 H new ATOM 0 HA LYS A 12 -30.006 -12.389 -2.326 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -27.685 -12.301 -2.749 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -27.339 -11.468 -1.246 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -26.549 -13.698 -0.973 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -28.008 -13.577 -0.011 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -28.253 -15.625 -1.159 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -29.264 -14.513 -2.061 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -27.999 -15.749 -3.679 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -27.321 -14.134 -3.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -25.712 -16.073 -3.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -25.461 -14.856 -2.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -26.189 -16.321 -1.992 1.00 0.00 H new ATOM 156 N PHE A 13 -30.812 -13.240 -0.151 1.00 0.00 N ATOM 157 CA PHE A 13 -31.391 -13.697 1.107 1.00 0.00 C ATOM 158 C PHE A 13 -30.298 -14.037 2.117 1.00 0.00 C ATOM 159 O PHE A 13 -29.129 -14.180 1.758 1.00 0.00 O ATOM 160 CB PHE A 13 -32.279 -14.920 0.870 1.00 0.00 C ATOM 161 CG PHE A 13 -33.140 -15.274 2.049 1.00 0.00 C ATOM 162 CD1 PHE A 13 -33.998 -14.338 2.603 1.00 0.00 C ATOM 163 CD2 PHE A 13 -33.090 -16.542 2.604 1.00 0.00 C ATOM 164 CE1 PHE A 13 -34.791 -14.660 3.688 1.00 0.00 C ATOM 165 CE2 PHE A 13 -33.882 -16.871 3.688 1.00 0.00 C ATOM 166 CZ PHE A 13 -34.732 -15.928 4.232 1.00 0.00 C ATOM 0 H PHE A 13 -31.118 -13.763 -0.971 1.00 0.00 H new ATOM 0 HA PHE A 13 -31.999 -12.888 1.513 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -32.918 -14.733 0.007 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -31.649 -15.774 0.621 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -34.048 -13.345 2.182 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -32.425 -17.282 2.185 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -35.456 -13.921 4.110 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -33.836 -17.864 4.109 1.00 0.00 H new ATOM 0 HZ PHE A 13 -35.349 -16.182 5.081 1.00 0.00 H new ATOM 176 N ILE A 14 -30.688 -14.164 3.381 1.00 0.00 N ATOM 177 CA ILE A 14 -29.743 -14.488 4.442 1.00 0.00 C ATOM 178 C ILE A 14 -29.410 -15.976 4.448 1.00 0.00 C ATOM 179 O ILE A 14 -30.304 -16.823 4.429 1.00 0.00 O ATOM 180 CB ILE A 14 -30.292 -14.090 5.825 1.00 0.00 C ATOM 181 CG1 ILE A 14 -30.575 -12.588 5.873 1.00 0.00 C ATOM 182 CG2 ILE A 14 -29.310 -14.485 6.918 1.00 0.00 C ATOM 183 CD1 ILE A 14 -31.971 -12.221 5.421 1.00 0.00 C ATOM 0 H ILE A 14 -31.651 -14.047 3.695 1.00 0.00 H new ATOM 0 HA ILE A 14 -28.836 -13.917 4.242 1.00 0.00 H new ATOM 0 HB ILE A 14 -31.228 -14.622 5.995 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -30.426 -12.231 6.892 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -29.851 -12.070 5.245 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -29.712 -14.197 7.890 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -29.154 -15.564 6.895 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -28.359 -13.978 6.754 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -32.101 -11.140 5.481 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -32.118 -12.547 4.391 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -32.702 -12.711 6.064 1.00 0.00 H new ATOM 195 N VAL A 15 -28.118 -16.288 4.476 1.00 0.00 N ATOM 196 CA VAL A 15 -27.667 -17.674 4.488 1.00 0.00 C ATOM 197 C VAL A 15 -27.031 -18.034 5.826 1.00 0.00 C ATOM 198 O VAL A 15 -26.485 -17.185 6.530 1.00 0.00 O ATOM 199 CB VAL A 15 -26.652 -17.943 3.360 1.00 0.00 C ATOM 200 CG1 VAL A 15 -27.305 -17.760 1.999 1.00 0.00 C ATOM 201 CG2 VAL A 15 -25.441 -17.035 3.507 1.00 0.00 C ATOM 0 H VAL A 15 -27.366 -15.599 4.491 1.00 0.00 H new ATOM 0 HA VAL A 15 -28.548 -18.295 4.330 1.00 0.00 H new ATOM 0 HB VAL A 15 -26.314 -18.976 3.437 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -26.573 -17.954 1.215 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -28.138 -18.456 1.898 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -27.673 -16.738 1.907 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -24.734 -17.238 2.702 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -25.759 -15.994 3.457 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -24.961 -17.222 4.468 1.00 0.00 H new ATOM 211 N PRO A 16 -27.102 -19.324 6.186 1.00 0.00 N ATOM 212 CA PRO A 16 -26.537 -19.827 7.442 1.00 0.00 C ATOM 213 C PRO A 16 -25.012 -19.809 7.440 1.00 0.00 C ATOM 214 O PRO A 16 -24.382 -19.987 6.398 1.00 0.00 O ATOM 215 CB PRO A 16 -27.055 -21.265 7.514 1.00 0.00 C ATOM 216 CG PRO A 16 -27.303 -21.649 6.096 1.00 0.00 C ATOM 217 CD PRO A 16 -27.738 -20.391 5.396 1.00 0.00 C ATOM 0 HA PRO A 16 -26.827 -19.212 8.294 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -26.325 -21.926 7.981 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -27.968 -21.328 8.107 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -26.402 -22.058 5.639 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -28.072 -22.419 6.029 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -27.407 -20.374 4.358 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -28.823 -20.291 5.386 1.00 0.00 H new ATOM 225 N ILE A 17 -24.426 -19.595 8.613 1.00 0.00 N ATOM 226 CA ILE A 17 -22.975 -19.556 8.746 1.00 0.00 C ATOM 227 C ILE A 17 -22.403 -20.957 8.933 1.00 0.00 C ATOM 228 O ILE A 17 -21.232 -21.121 9.278 1.00 0.00 O ATOM 229 CB ILE A 17 -22.541 -18.675 9.932 1.00 0.00 C ATOM 230 CG1 ILE A 17 -23.253 -17.321 9.877 1.00 0.00 C ATOM 231 CG2 ILE A 17 -21.032 -18.486 9.928 1.00 0.00 C ATOM 232 CD1 ILE A 17 -23.335 -16.626 11.218 1.00 0.00 C ATOM 0 H ILE A 17 -24.934 -19.446 9.485 1.00 0.00 H new ATOM 0 HA ILE A 17 -22.585 -19.126 7.823 1.00 0.00 H new ATOM 0 HB ILE A 17 -22.822 -19.175 10.859 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -22.731 -16.673 9.173 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -24.262 -17.466 9.490 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -20.741 -17.861 10.772 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -20.543 -19.457 10.010 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -20.728 -18.004 8.999 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -23.852 -15.673 11.103 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -23.883 -17.254 11.920 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -22.329 -16.449 11.598 1.00 0.00 H new ATOM 244 N LYS A 18 -23.235 -21.966 8.699 1.00 0.00 N ATOM 245 CA LYS A 18 -22.813 -23.355 8.838 1.00 0.00 C ATOM 246 C LYS A 18 -22.856 -24.074 7.493 1.00 0.00 C ATOM 247 O LYS A 18 -22.019 -24.931 7.210 1.00 0.00 O ATOM 248 CB LYS A 18 -23.705 -24.083 9.846 1.00 0.00 C ATOM 249 CG LYS A 18 -23.531 -25.592 9.834 1.00 0.00 C ATOM 250 CD LYS A 18 -24.587 -26.281 10.681 1.00 0.00 C ATOM 251 CE LYS A 18 -25.949 -26.253 10.005 1.00 0.00 C ATOM 252 NZ LYS A 18 -26.901 -27.209 10.636 1.00 0.00 N ATOM 0 H LYS A 18 -24.207 -21.848 8.412 1.00 0.00 H new ATOM 0 HA LYS A 18 -21.785 -23.361 9.201 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -23.489 -23.709 10.847 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -24.747 -23.844 9.635 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -23.590 -25.958 8.809 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -22.540 -25.848 10.208 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -24.291 -27.314 10.864 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -24.652 -25.792 11.653 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -26.359 -25.245 10.056 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -25.835 -26.497 8.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -27.818 -27.160 10.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -26.522 -28.175 10.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -27.029 -26.961 11.638 1.00 0.00 H new ATOM 266 N ALA A 19 -23.835 -23.717 6.668 1.00 0.00 N ATOM 267 CA ALA A 19 -23.984 -24.326 5.352 1.00 0.00 C ATOM 268 C ALA A 19 -23.073 -23.655 4.330 1.00 0.00 C ATOM 269 O ALA A 19 -23.225 -23.852 3.125 1.00 0.00 O ATOM 270 CB ALA A 19 -25.434 -24.252 4.898 1.00 0.00 C ATOM 0 H ALA A 19 -24.536 -23.010 6.888 1.00 0.00 H new ATOM 0 HA ALA A 19 -23.691 -25.373 5.428 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -25.531 -24.710 3.914 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -26.066 -24.784 5.610 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -25.746 -23.209 4.845 1.00 0.00 H new ATOM 276 N ARG A 20 -22.126 -22.860 4.820 1.00 0.00 N ATOM 277 CA ARG A 20 -21.192 -22.158 3.949 1.00 0.00 C ATOM 278 C ARG A 20 -19.778 -22.709 4.111 1.00 0.00 C ATOM 279 O ARG A 20 -19.421 -23.228 5.168 1.00 0.00 O ATOM 280 CB ARG A 20 -21.204 -20.659 4.254 1.00 0.00 C ATOM 281 CG ARG A 20 -22.453 -19.947 3.760 1.00 0.00 C ATOM 282 CD ARG A 20 -22.390 -19.685 2.264 1.00 0.00 C ATOM 283 NE ARG A 20 -21.417 -18.648 1.931 1.00 0.00 N ATOM 284 CZ ARG A 20 -20.892 -18.494 0.720 1.00 0.00 C ATOM 285 NH1 ARG A 20 -21.243 -19.306 -0.267 1.00 0.00 N ATOM 286 NH2 ARG A 20 -20.012 -17.526 0.495 1.00 0.00 N ATOM 0 H ARG A 20 -21.986 -22.687 5.815 1.00 0.00 H new ATOM 0 HA ARG A 20 -21.509 -22.315 2.918 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -21.116 -20.515 5.331 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -20.328 -20.197 3.798 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -23.331 -20.551 3.988 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -22.569 -19.002 4.291 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -22.129 -20.607 1.745 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -23.375 -19.386 1.906 1.00 0.00 H new ATOM 0 HE ARG A 20 -21.124 -18.007 2.668 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -21.918 -20.052 -0.098 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -20.838 -19.185 -1.195 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -19.738 -16.900 1.252 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -19.610 -17.409 -0.435 1.00 0.00 H new ATOM 300 N GLY A 21 -18.978 -22.593 3.055 1.00 0.00 N ATOM 301 CA GLY A 21 -17.613 -23.085 3.101 1.00 0.00 C ATOM 302 C GLY A 21 -16.711 -22.212 3.951 1.00 0.00 C ATOM 303 O GLY A 21 -17.179 -21.512 4.848 1.00 0.00 O ATOM 0 H GLY A 21 -19.251 -22.167 2.169 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -17.609 -24.100 3.497 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -17.214 -23.137 2.088 1.00 0.00 H new ATOM 307 N ALA A 22 -15.413 -22.256 3.670 1.00 0.00 N ATOM 308 CA ALA A 22 -14.443 -21.463 4.415 1.00 0.00 C ATOM 309 C ALA A 22 -13.705 -20.494 3.497 1.00 0.00 C ATOM 310 O ALA A 22 -13.042 -20.909 2.546 1.00 0.00 O ATOM 311 CB ALA A 22 -13.455 -22.373 5.129 1.00 0.00 C ATOM 0 H ALA A 22 -15.009 -22.832 2.932 1.00 0.00 H new ATOM 0 HA ALA A 22 -14.984 -20.877 5.159 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.736 -21.768 5.681 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.992 -23.021 5.822 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.928 -22.984 4.396 1.00 0.00 H new ATOM 317 N ARG A 23 -13.824 -19.203 3.788 1.00 0.00 N ATOM 318 CA ARG A 23 -13.169 -18.176 2.987 1.00 0.00 C ATOM 319 C ARG A 23 -11.884 -17.701 3.658 1.00 0.00 C ATOM 320 O ARG A 23 -11.787 -17.668 4.884 1.00 0.00 O ATOM 321 CB ARG A 23 -14.112 -16.990 2.770 1.00 0.00 C ATOM 322 CG ARG A 23 -13.607 -15.991 1.742 1.00 0.00 C ATOM 323 CD ARG A 23 -14.018 -16.387 0.333 1.00 0.00 C ATOM 324 NE ARG A 23 -15.354 -15.903 -0.005 1.00 0.00 N ATOM 325 CZ ARG A 23 -16.175 -16.532 -0.837 1.00 0.00 C ATOM 326 NH1 ARG A 23 -15.799 -17.666 -1.414 1.00 0.00 N ATOM 327 NH2 ARG A 23 -17.376 -16.029 -1.094 1.00 0.00 N ATOM 0 H ARG A 23 -14.368 -18.843 4.572 1.00 0.00 H new ATOM 0 HA ARG A 23 -12.915 -18.611 2.021 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -15.086 -17.364 2.453 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -14.261 -16.477 3.720 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -14.000 -15.001 1.972 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -12.521 -15.925 1.800 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -13.297 -15.988 -0.380 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -13.992 -17.473 0.240 1.00 0.00 H new ATOM 0 HE ARG A 23 -15.674 -15.034 0.422 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -14.877 -18.056 -1.219 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -16.432 -18.147 -2.053 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -17.669 -15.158 -0.652 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -18.006 -16.514 -1.734 1.00 0.00 H new ATOM 341 N ALA A 24 -10.898 -17.335 2.844 1.00 0.00 N ATOM 342 CA ALA A 24 -9.620 -16.861 3.358 1.00 0.00 C ATOM 343 C ALA A 24 -9.602 -15.340 3.470 1.00 0.00 C ATOM 344 O ALA A 24 -10.287 -14.646 2.718 1.00 0.00 O ATOM 345 CB ALA A 24 -8.483 -17.339 2.467 1.00 0.00 C ATOM 0 H ALA A 24 -10.961 -17.358 1.826 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.483 -17.274 4.357 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.534 -16.978 2.863 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.474 -18.429 2.442 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.625 -16.954 1.457 1.00 0.00 H new ATOM 351 N ILE A 25 -8.817 -14.830 4.413 1.00 0.00 N ATOM 352 CA ILE A 25 -8.712 -13.391 4.622 1.00 0.00 C ATOM 353 C ILE A 25 -7.318 -13.007 5.107 1.00 0.00 C ATOM 354 O ILE A 25 -6.650 -13.785 5.790 1.00 0.00 O ATOM 355 CB ILE A 25 -9.754 -12.892 5.640 1.00 0.00 C ATOM 356 CG1 ILE A 25 -11.165 -13.266 5.183 1.00 0.00 C ATOM 357 CG2 ILE A 25 -9.632 -11.387 5.828 1.00 0.00 C ATOM 358 CD1 ILE A 25 -12.216 -13.084 6.256 1.00 0.00 C ATOM 0 H ILE A 25 -8.245 -15.391 5.044 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.902 -12.917 3.659 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.564 -13.374 6.599 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.431 -12.658 4.318 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.168 -14.305 4.855 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -10.375 -11.049 6.550 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.634 -11.146 6.194 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -9.799 -10.886 4.874 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -13.192 -13.368 5.862 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -11.974 -13.713 7.113 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -12.241 -12.040 6.568 1.00 0.00 H new ATOM 370 N LEU A 26 -6.885 -11.802 4.753 1.00 0.00 N ATOM 371 CA LEU A 26 -5.571 -11.313 5.154 1.00 0.00 C ATOM 372 C LEU A 26 -5.698 -10.106 6.079 1.00 0.00 C ATOM 373 O LEU A 26 -6.800 -9.617 6.329 1.00 0.00 O ATOM 374 CB LEU A 26 -4.745 -10.940 3.921 1.00 0.00 C ATOM 375 CG LEU A 26 -3.933 -12.071 3.290 1.00 0.00 C ATOM 376 CD1 LEU A 26 -2.943 -12.642 4.294 1.00 0.00 C ATOM 377 CD2 LEU A 26 -4.855 -13.163 2.768 1.00 0.00 C ATOM 0 H LEU A 26 -7.425 -11.146 4.189 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.064 -12.111 5.696 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.419 -10.538 3.165 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.060 -10.138 4.196 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.372 -11.664 2.449 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.374 -13.446 3.827 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.261 -11.856 4.620 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.484 -13.033 5.156 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.259 -13.960 2.322 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.443 -13.567 3.592 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.524 -12.745 2.015 1.00 0.00 H new ATOM 389 N ASP A 27 -4.564 -9.631 6.581 1.00 0.00 N ATOM 390 CA ASP A 27 -4.548 -8.479 7.476 1.00 0.00 C ATOM 391 C ASP A 27 -3.720 -7.343 6.884 1.00 0.00 C ATOM 392 O ASP A 27 -2.490 -7.403 6.863 1.00 0.00 O ATOM 393 CB ASP A 27 -3.989 -8.876 8.843 1.00 0.00 C ATOM 394 CG ASP A 27 -2.527 -9.274 8.778 1.00 0.00 C ATOM 395 OD1 ASP A 27 -2.056 -9.619 7.674 1.00 0.00 O ATOM 396 OD2 ASP A 27 -1.855 -9.240 9.830 1.00 0.00 O ATOM 0 H ASP A 27 -3.644 -10.025 6.384 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.574 -8.131 7.599 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.105 -8.042 9.536 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.571 -9.706 9.243 1.00 0.00 H new ATOM 401 N PHE A 28 -4.401 -6.309 6.403 1.00 0.00 N ATOM 402 CA PHE A 28 -3.729 -5.159 5.809 1.00 0.00 C ATOM 403 C PHE A 28 -4.210 -3.859 6.446 1.00 0.00 C ATOM 404 O PHE A 28 -5.377 -3.709 6.807 1.00 0.00 O ATOM 405 CB PHE A 28 -3.974 -5.123 4.299 1.00 0.00 C ATOM 406 CG PHE A 28 -3.142 -6.111 3.533 1.00 0.00 C ATOM 407 CD1 PHE A 28 -3.593 -7.406 3.330 1.00 0.00 C ATOM 408 CD2 PHE A 28 -1.910 -5.746 3.016 1.00 0.00 C ATOM 409 CE1 PHE A 28 -2.830 -8.317 2.625 1.00 0.00 C ATOM 410 CE2 PHE A 28 -1.142 -6.654 2.310 1.00 0.00 C ATOM 411 CZ PHE A 28 -1.603 -7.941 2.114 1.00 0.00 C ATOM 0 H PHE A 28 -5.419 -6.243 6.413 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.659 -5.259 5.994 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.028 -5.321 4.105 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.764 -4.119 3.929 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.551 -7.706 3.727 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.545 -4.741 3.166 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -3.193 -9.323 2.474 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.183 -6.357 1.912 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.006 -8.652 1.562 1.00 0.00 H new ATOM 421 N PRO A 29 -3.289 -2.894 6.588 1.00 0.00 N ATOM 422 CA PRO A 29 -3.595 -1.589 7.181 1.00 0.00 C ATOM 423 C PRO A 29 -4.488 -0.739 6.283 1.00 0.00 C ATOM 424 O PRO A 29 -4.494 -0.903 5.063 1.00 0.00 O ATOM 425 CB PRO A 29 -2.218 -0.938 7.334 1.00 0.00 C ATOM 426 CG PRO A 29 -1.371 -1.592 6.298 1.00 0.00 C ATOM 427 CD PRO A 29 -1.878 -3.003 6.180 1.00 0.00 C ATOM 0 HA PRO A 29 -4.143 -1.686 8.118 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -2.271 0.140 7.179 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -1.814 -1.097 8.334 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -1.447 -1.069 5.345 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.320 -1.578 6.587 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -1.782 -3.381 5.162 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.324 -3.684 6.826 1.00 0.00 H new ATOM 435 N ASP A 30 -5.241 0.168 6.895 1.00 0.00 N ATOM 436 CA ASP A 30 -6.138 1.045 6.150 1.00 0.00 C ATOM 437 C ASP A 30 -5.421 1.670 4.957 1.00 0.00 C ATOM 438 O ASP A 30 -5.977 1.762 3.863 1.00 0.00 O ATOM 439 CB ASP A 30 -6.687 2.143 7.063 1.00 0.00 C ATOM 440 CG ASP A 30 -7.335 1.584 8.315 1.00 0.00 C ATOM 441 OD1 ASP A 30 -6.658 0.835 9.049 1.00 0.00 O ATOM 442 OD2 ASP A 30 -8.519 1.896 8.560 1.00 0.00 O ATOM 0 H ASP A 30 -5.249 0.316 7.904 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.968 0.444 5.778 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.877 2.815 7.346 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.417 2.737 6.514 1.00 0.00 H new ATOM 447 N LYS A 31 -4.182 2.098 5.176 1.00 0.00 N ATOM 448 CA LYS A 31 -3.388 2.715 4.121 1.00 0.00 C ATOM 449 C LYS A 31 -1.898 2.625 4.438 1.00 0.00 C ATOM 450 O LYS A 31 -1.511 2.251 5.546 1.00 0.00 O ATOM 451 CB LYS A 31 -3.794 4.179 3.937 1.00 0.00 C ATOM 452 CG LYS A 31 -3.455 5.058 5.128 1.00 0.00 C ATOM 453 CD LYS A 31 -3.444 6.529 4.750 1.00 0.00 C ATOM 454 CE LYS A 31 -4.846 7.119 4.760 1.00 0.00 C ATOM 455 NZ LYS A 31 -5.331 7.372 6.145 1.00 0.00 N ATOM 0 H LYS A 31 -3.706 2.029 6.076 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.578 2.173 3.194 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.299 4.576 3.051 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.867 4.229 3.753 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.182 4.891 5.923 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.479 4.776 5.524 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.812 7.080 5.446 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.006 6.648 3.759 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.851 8.052 4.197 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.530 6.438 4.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.228 7.896 6.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.479 6.465 6.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.624 7.932 6.664 1.00 0.00 H new ATOM 469 N LEU A 32 -1.068 2.971 3.460 1.00 0.00 N ATOM 470 CA LEU A 32 0.379 2.931 3.636 1.00 0.00 C ATOM 471 C LEU A 32 0.933 4.325 3.912 1.00 0.00 C ATOM 472 O LEU A 32 0.639 5.275 3.188 1.00 0.00 O ATOM 473 CB LEU A 32 1.048 2.341 2.393 1.00 0.00 C ATOM 474 CG LEU A 32 2.431 1.725 2.603 1.00 0.00 C ATOM 475 CD1 LEU A 32 3.364 2.723 3.273 1.00 0.00 C ATOM 476 CD2 LEU A 32 2.328 0.452 3.429 1.00 0.00 C ATOM 0 H LEU A 32 -1.372 3.282 2.538 1.00 0.00 H new ATOM 0 HA LEU A 32 0.598 2.296 4.495 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.391 1.576 1.980 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.133 3.127 1.643 1.00 0.00 H new ATOM 0 HG LEU A 32 2.845 1.469 1.628 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.344 2.267 3.414 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.463 3.608 2.644 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.954 3.010 4.241 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.322 0.027 3.568 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.893 0.683 4.401 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.695 -0.268 2.910 1.00 0.00 H new ATOM 488 N ASN A 33 1.738 4.439 4.963 1.00 0.00 N ATOM 489 CA ASN A 33 2.335 5.717 5.334 1.00 0.00 C ATOM 490 C ASN A 33 3.843 5.701 5.103 1.00 0.00 C ATOM 491 O ASN A 33 4.579 4.988 5.785 1.00 0.00 O ATOM 492 CB ASN A 33 2.036 6.037 6.800 1.00 0.00 C ATOM 493 CG ASN A 33 2.298 4.856 7.714 1.00 0.00 C ATOM 494 OD1 ASN A 33 2.847 3.839 7.291 1.00 0.00 O ATOM 495 ND2 ASN A 33 1.906 4.987 8.977 1.00 0.00 N ATOM 0 H ASN A 33 1.992 3.662 5.573 1.00 0.00 H new ATOM 0 HA ASN A 33 1.897 6.491 4.703 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.648 6.881 7.117 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.995 6.344 6.897 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.057 4.226 9.639 1.00 0.00 H new ATOM 0 HD22 ASN A 33 1.455 5.849 9.284 1.00 0.00 H new ATOM 502 N PHE A 34 4.296 6.493 4.136 1.00 0.00 N ATOM 503 CA PHE A 34 5.717 6.570 3.814 1.00 0.00 C ATOM 504 C PHE A 34 6.329 7.858 4.358 1.00 0.00 C ATOM 505 O PHE A 34 6.080 8.944 3.835 1.00 0.00 O ATOM 506 CB PHE A 34 5.923 6.493 2.300 1.00 0.00 C ATOM 507 CG PHE A 34 6.165 5.098 1.798 1.00 0.00 C ATOM 508 CD1 PHE A 34 7.432 4.540 1.848 1.00 0.00 C ATOM 509 CD2 PHE A 34 5.125 4.345 1.277 1.00 0.00 C ATOM 510 CE1 PHE A 34 7.657 3.257 1.385 1.00 0.00 C ATOM 511 CE2 PHE A 34 5.344 3.061 0.814 1.00 0.00 C ATOM 512 CZ PHE A 34 6.612 2.516 0.869 1.00 0.00 C ATOM 0 H PHE A 34 3.700 7.090 3.562 1.00 0.00 H new ATOM 0 HA PHE A 34 6.218 5.724 4.285 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.045 6.903 1.801 1.00 0.00 H new ATOM 0 HB3 PHE A 34 6.770 7.122 2.024 1.00 0.00 H new ATOM 0 HD1 PHE A 34 8.253 5.113 2.253 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.132 4.766 1.232 1.00 0.00 H new ATOM 0 HE1 PHE A 34 8.650 2.834 1.427 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.525 2.485 0.410 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.786 1.513 0.509 1.00 0.00 H new ATOM 522 N SER A 35 7.130 7.727 5.410 1.00 0.00 N ATOM 523 CA SER A 35 7.774 8.880 6.028 1.00 0.00 C ATOM 524 C SER A 35 8.512 9.713 4.985 1.00 0.00 C ATOM 525 O SER A 35 8.587 9.340 3.813 1.00 0.00 O ATOM 526 CB SER A 35 8.749 8.424 7.115 1.00 0.00 C ATOM 527 OG SER A 35 8.055 7.964 8.262 1.00 0.00 O ATOM 0 H SER A 35 7.349 6.834 5.852 1.00 0.00 H new ATOM 0 HA SER A 35 6.999 9.499 6.481 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.385 7.628 6.727 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.405 9.250 7.390 1.00 0.00 H new ATOM 0 HG SER A 35 8.700 7.677 8.941 1.00 0.00 H new ATOM 533 N THR A 36 9.057 10.846 5.418 1.00 0.00 N ATOM 534 CA THR A 36 9.788 11.734 4.524 1.00 0.00 C ATOM 535 C THR A 36 10.863 10.976 3.754 1.00 0.00 C ATOM 536 O THR A 36 11.817 10.464 4.342 1.00 0.00 O ATOM 537 CB THR A 36 10.447 12.892 5.297 1.00 0.00 C ATOM 538 OG1 THR A 36 9.548 13.390 6.293 1.00 0.00 O ATOM 539 CG2 THR A 36 10.840 14.018 4.353 1.00 0.00 C ATOM 0 H THR A 36 9.005 11.170 6.384 1.00 0.00 H new ATOM 0 HA THR A 36 9.061 12.143 3.822 1.00 0.00 H new ATOM 0 HB THR A 36 11.348 12.512 5.779 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.975 14.125 6.781 1.00 0.00 H new ATOM 0 HG21 THR A 36 11.303 14.824 4.921 1.00 0.00 H new ATOM 0 HG22 THR A 36 11.547 13.643 3.613 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.951 14.395 3.847 1.00 0.00 H new ATOM 547 N CYS A 37 10.705 10.908 2.437 1.00 0.00 N ATOM 548 CA CYS A 37 11.663 10.211 1.586 1.00 0.00 C ATOM 549 C CYS A 37 12.027 11.058 0.371 1.00 0.00 C ATOM 550 O CYS A 37 11.305 11.978 -0.015 1.00 0.00 O ATOM 551 CB CYS A 37 11.091 8.867 1.133 1.00 0.00 C ATOM 552 SG CYS A 37 9.363 8.939 0.606 1.00 0.00 S ATOM 0 H CYS A 37 9.922 11.327 1.935 1.00 0.00 H new ATOM 0 HA CYS A 37 12.568 10.035 2.168 1.00 0.00 H new ATOM 0 HB2 CYS A 37 11.695 8.486 0.309 1.00 0.00 H new ATOM 0 HB3 CYS A 37 11.181 8.152 1.951 1.00 0.00 H new ATOM 0 HG CYS A 37 8.599 9.105 1.645 1.00 0.00 H new ATOM 558 N PRO A 38 13.175 10.743 -0.248 1.00 0.00 N ATOM 559 CA PRO A 38 13.662 11.463 -1.428 1.00 0.00 C ATOM 560 C PRO A 38 12.809 11.196 -2.663 1.00 0.00 C ATOM 561 O PRO A 38 12.322 10.084 -2.865 1.00 0.00 O ATOM 562 CB PRO A 38 15.075 10.909 -1.624 1.00 0.00 C ATOM 563 CG PRO A 38 15.041 9.557 -0.999 1.00 0.00 C ATOM 564 CD PRO A 38 14.085 9.658 0.157 1.00 0.00 C ATOM 0 HA PRO A 38 13.629 12.543 -1.288 1.00 0.00 H new ATOM 0 HB2 PRO A 38 15.334 10.850 -2.681 1.00 0.00 H new ATOM 0 HB3 PRO A 38 15.820 11.547 -1.148 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.709 8.805 -1.715 1.00 0.00 H new ATOM 0 HG3 PRO A 38 16.033 9.259 -0.660 1.00 0.00 H new ATOM 0 HD2 PRO A 38 13.549 8.723 0.318 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.602 9.893 1.087 1.00 0.00 H new ATOM 572 N VAL A 39 12.632 12.224 -3.488 1.00 0.00 N ATOM 573 CA VAL A 39 11.838 12.099 -4.705 1.00 0.00 C ATOM 574 C VAL A 39 12.563 11.257 -5.749 1.00 0.00 C ATOM 575 O VAL A 39 12.094 10.184 -6.132 1.00 0.00 O ATOM 576 CB VAL A 39 11.516 13.479 -5.308 1.00 0.00 C ATOM 577 CG1 VAL A 39 12.616 14.477 -4.978 1.00 0.00 C ATOM 578 CG2 VAL A 39 11.319 13.369 -6.813 1.00 0.00 C ATOM 0 H VAL A 39 13.028 13.152 -3.336 1.00 0.00 H new ATOM 0 HA VAL A 39 10.907 11.606 -4.427 1.00 0.00 H new ATOM 0 HB VAL A 39 10.587 13.841 -4.868 1.00 0.00 H new ATOM 0 HG11 VAL A 39 12.370 15.446 -5.413 1.00 0.00 H new ATOM 0 HG12 VAL A 39 12.704 14.576 -3.896 1.00 0.00 H new ATOM 0 HG13 VAL A 39 13.562 14.125 -5.389 1.00 0.00 H new ATOM 0 HG21 VAL A 39 11.092 14.353 -7.223 1.00 0.00 H new ATOM 0 HG22 VAL A 39 12.230 12.986 -7.272 1.00 0.00 H new ATOM 0 HG23 VAL A 39 10.493 12.689 -7.023 1.00 0.00 H new ATOM 588 N LYS A 40 13.708 11.749 -6.207 1.00 0.00 N ATOM 589 CA LYS A 40 14.500 11.042 -7.207 1.00 0.00 C ATOM 590 C LYS A 40 14.813 9.621 -6.748 1.00 0.00 C ATOM 591 O LYS A 40 14.417 8.649 -7.392 1.00 0.00 O ATOM 592 CB LYS A 40 15.802 11.797 -7.484 1.00 0.00 C ATOM 593 CG LYS A 40 15.703 12.774 -8.643 1.00 0.00 C ATOM 594 CD LYS A 40 14.909 14.012 -8.263 1.00 0.00 C ATOM 595 CE LYS A 40 15.710 14.930 -7.351 1.00 0.00 C ATOM 596 NZ LYS A 40 16.704 15.737 -8.111 1.00 0.00 N ATOM 0 H LYS A 40 14.109 12.636 -5.902 1.00 0.00 H new ATOM 0 HA LYS A 40 13.915 10.989 -8.125 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.095 12.340 -6.586 1.00 0.00 H new ATOM 0 HB3 LYS A 40 16.593 11.077 -7.693 1.00 0.00 H new ATOM 0 HG2 LYS A 40 16.704 13.066 -8.960 1.00 0.00 H new ATOM 0 HG3 LYS A 40 15.229 12.284 -9.494 1.00 0.00 H new ATOM 0 HD2 LYS A 40 14.623 14.553 -9.165 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.987 13.715 -7.763 1.00 0.00 H new ATOM 0 HE2 LYS A 40 15.031 15.597 -6.820 1.00 0.00 H new ATOM 0 HE3 LYS A 40 16.226 14.334 -6.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 17.229 16.349 -7.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 17.368 15.101 -8.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 16.210 16.325 -8.813 1.00 0.00 H new ATOM 610 N TYR A 41 15.523 9.508 -5.631 1.00 0.00 N ATOM 611 CA TYR A 41 15.889 8.206 -5.087 1.00 0.00 C ATOM 612 C TYR A 41 14.662 7.310 -4.946 1.00 0.00 C ATOM 613 O TYR A 41 13.543 7.793 -4.773 1.00 0.00 O ATOM 614 CB TYR A 41 16.572 8.371 -3.728 1.00 0.00 C ATOM 615 CG TYR A 41 17.969 8.942 -3.818 1.00 0.00 C ATOM 616 CD1 TYR A 41 18.180 10.315 -3.852 1.00 0.00 C ATOM 617 CD2 TYR A 41 19.079 8.108 -3.868 1.00 0.00 C ATOM 618 CE1 TYR A 41 19.455 10.840 -3.936 1.00 0.00 C ATOM 619 CE2 TYR A 41 20.358 8.624 -3.950 1.00 0.00 C ATOM 620 CZ TYR A 41 20.541 9.991 -3.984 1.00 0.00 C ATOM 621 OH TYR A 41 21.812 10.510 -4.065 1.00 0.00 O ATOM 0 H TYR A 41 15.856 10.302 -5.085 1.00 0.00 H new ATOM 0 HA TYR A 41 16.584 7.733 -5.781 1.00 0.00 H new ATOM 0 HB2 TYR A 41 15.962 9.022 -3.101 1.00 0.00 H new ATOM 0 HB3 TYR A 41 16.616 7.401 -3.233 1.00 0.00 H new ATOM 0 HD1 TYR A 41 17.333 10.983 -3.812 1.00 0.00 H new ATOM 0 HD2 TYR A 41 18.940 7.037 -3.842 1.00 0.00 H new ATOM 0 HE1 TYR A 41 19.601 11.910 -3.964 1.00 0.00 H new ATOM 0 HE2 TYR A 41 21.210 7.961 -3.987 1.00 0.00 H new ATOM 0 HH TYR A 41 22.463 9.778 -4.089 1.00 0.00 H new ATOM 631 N SER A 42 14.882 6.001 -5.020 1.00 0.00 N ATOM 632 CA SER A 42 13.795 5.036 -4.905 1.00 0.00 C ATOM 633 C SER A 42 13.410 4.824 -3.444 1.00 0.00 C ATOM 634 O SER A 42 14.232 4.989 -2.542 1.00 0.00 O ATOM 635 CB SER A 42 14.200 3.702 -5.536 1.00 0.00 C ATOM 636 OG SER A 42 15.527 3.352 -5.182 1.00 0.00 O ATOM 0 H SER A 42 15.803 5.585 -5.159 1.00 0.00 H new ATOM 0 HA SER A 42 12.931 5.434 -5.437 1.00 0.00 H new ATOM 0 HB2 SER A 42 13.515 2.919 -5.210 1.00 0.00 H new ATOM 0 HB3 SER A 42 14.115 3.769 -6.621 1.00 0.00 H new ATOM 0 HG SER A 42 15.761 2.495 -5.596 1.00 0.00 H new ATOM 642 N THR A 43 12.152 4.457 -3.217 1.00 0.00 N ATOM 643 CA THR A 43 11.656 4.223 -1.867 1.00 0.00 C ATOM 644 C THR A 43 11.001 2.852 -1.752 1.00 0.00 C ATOM 645 O THR A 43 10.165 2.483 -2.576 1.00 0.00 O ATOM 646 CB THR A 43 10.639 5.302 -1.448 1.00 0.00 C ATOM 647 OG1 THR A 43 11.275 6.584 -1.405 1.00 0.00 O ATOM 648 CG2 THR A 43 10.041 4.982 -0.086 1.00 0.00 C ATOM 0 H THR A 43 11.458 4.316 -3.951 1.00 0.00 H new ATOM 0 HA THR A 43 12.518 4.268 -1.201 1.00 0.00 H new ATOM 0 HB THR A 43 9.836 5.319 -2.185 1.00 0.00 H new ATOM 0 HG1 THR A 43 10.622 7.265 -1.139 1.00 0.00 H new ATOM 0 HG21 THR A 43 9.326 5.758 0.189 1.00 0.00 H new ATOM 0 HG22 THR A 43 9.533 4.019 -0.129 1.00 0.00 H new ATOM 0 HG23 THR A 43 10.835 4.940 0.659 1.00 0.00 H new ATOM 656 N GLN A 44 11.386 2.102 -0.724 1.00 0.00 N ATOM 657 CA GLN A 44 10.835 0.770 -0.502 1.00 0.00 C ATOM 658 C GLN A 44 10.564 0.533 0.980 1.00 0.00 C ATOM 659 O GLN A 44 11.212 1.126 1.843 1.00 0.00 O ATOM 660 CB GLN A 44 11.793 -0.297 -1.034 1.00 0.00 C ATOM 661 CG GLN A 44 12.018 -0.218 -2.535 1.00 0.00 C ATOM 662 CD GLN A 44 13.202 -1.047 -2.992 1.00 0.00 C ATOM 663 OE1 GLN A 44 13.798 -0.661 -4.115 1.00 0.00 O flip ATOM 664 NE2 GLN A 44 13.578 -2.024 -2.344 1.00 0.00 N flip ATOM 0 H GLN A 44 12.077 2.394 -0.032 1.00 0.00 H new ATOM 0 HA GLN A 44 9.890 0.701 -1.041 1.00 0.00 H new ATOM 0 HB2 GLN A 44 12.752 -0.198 -0.526 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.400 -1.283 -0.785 1.00 0.00 H new ATOM 0 HG2 GLN A 44 11.120 -0.558 -3.051 1.00 0.00 H new ATOM 0 HG3 GLN A 44 12.176 0.822 -2.821 1.00 0.00 H new ATOM 0 HE21 GLN A 44 13.091 -2.285 -1.487 1.00 0.00 H new ATOM 0 HE22 GLN A 44 14.376 -2.572 -2.665 1.00 0.00 H new ATOM 673 N LYS A 45 9.601 -0.336 1.269 1.00 0.00 N ATOM 674 CA LYS A 45 9.244 -0.653 2.647 1.00 0.00 C ATOM 675 C LYS A 45 8.695 -2.072 2.754 1.00 0.00 C ATOM 676 O LYS A 45 8.330 -2.683 1.749 1.00 0.00 O ATOM 677 CB LYS A 45 8.209 0.346 3.169 1.00 0.00 C ATOM 678 CG LYS A 45 8.306 0.596 4.664 1.00 0.00 C ATOM 679 CD LYS A 45 7.193 1.509 5.150 1.00 0.00 C ATOM 680 CE LYS A 45 7.454 2.958 4.767 1.00 0.00 C ATOM 681 NZ LYS A 45 8.356 3.635 5.739 1.00 0.00 N ATOM 0 H LYS A 45 9.054 -0.834 0.567 1.00 0.00 H new ATOM 0 HA LYS A 45 10.146 -0.584 3.255 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.332 1.292 2.642 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.210 -0.022 2.935 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.257 -0.354 5.197 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.272 1.043 4.897 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.243 1.185 4.725 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.102 1.429 6.233 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.898 2.996 3.772 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.507 3.496 4.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.509 4.620 5.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.921 3.621 6.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.269 3.137 5.771 1.00 0.00 H new ATOM 695 N ILE A 46 8.639 -2.589 3.976 1.00 0.00 N ATOM 696 CA ILE A 46 8.132 -3.935 4.214 1.00 0.00 C ATOM 697 C ILE A 46 6.860 -3.903 5.053 1.00 0.00 C ATOM 698 O ILE A 46 6.706 -3.058 5.936 1.00 0.00 O ATOM 699 CB ILE A 46 9.180 -4.814 4.922 1.00 0.00 C ATOM 700 CG1 ILE A 46 10.347 -5.114 3.980 1.00 0.00 C ATOM 701 CG2 ILE A 46 8.543 -6.106 5.413 1.00 0.00 C ATOM 702 CD1 ILE A 46 11.436 -5.951 4.614 1.00 0.00 C ATOM 0 H ILE A 46 8.939 -2.096 4.817 1.00 0.00 H new ATOM 0 HA ILE A 46 7.909 -4.366 3.238 1.00 0.00 H new ATOM 0 HB ILE A 46 9.565 -4.270 5.785 1.00 0.00 H new ATOM 0 HG12 ILE A 46 9.968 -5.632 3.099 1.00 0.00 H new ATOM 0 HG13 ILE A 46 10.777 -4.173 3.636 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.296 -6.717 5.911 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.742 -5.873 6.115 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.134 -6.655 4.565 1.00 0.00 H new ATOM 0 HD11 ILE A 46 12.231 -6.124 3.888 1.00 0.00 H new ATOM 0 HD12 ILE A 46 11.842 -5.426 5.478 1.00 0.00 H new ATOM 0 HD13 ILE A 46 11.021 -6.907 4.933 1.00 0.00 H new ATOM 714 N LEU A 47 5.950 -4.830 4.774 1.00 0.00 N ATOM 715 CA LEU A 47 4.690 -4.910 5.505 1.00 0.00 C ATOM 716 C LEU A 47 4.384 -6.350 5.905 1.00 0.00 C ATOM 717 O LEU A 47 4.251 -7.228 5.052 1.00 0.00 O ATOM 718 CB LEU A 47 3.548 -4.351 4.655 1.00 0.00 C ATOM 719 CG LEU A 47 2.160 -4.929 4.932 1.00 0.00 C ATOM 720 CD1 LEU A 47 1.545 -4.275 6.159 1.00 0.00 C ATOM 721 CD2 LEU A 47 1.257 -4.750 3.721 1.00 0.00 C ATOM 0 H LEU A 47 6.061 -5.537 4.047 1.00 0.00 H new ATOM 0 HA LEU A 47 4.785 -4.313 6.412 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.506 -3.272 4.803 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.787 -4.520 3.605 1.00 0.00 H new ATOM 0 HG LEU A 47 2.264 -5.996 5.128 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.557 -4.699 6.341 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.182 -4.455 7.025 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.454 -3.202 5.992 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.273 -5.167 3.936 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.159 -3.688 3.494 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.691 -5.266 2.864 1.00 0.00 H new ATOM 733 N LEU A 48 4.270 -6.585 7.208 1.00 0.00 N ATOM 734 CA LEU A 48 3.976 -7.918 7.722 1.00 0.00 C ATOM 735 C LEU A 48 2.518 -8.290 7.470 1.00 0.00 C ATOM 736 O LEU A 48 1.628 -7.444 7.558 1.00 0.00 O ATOM 737 CB LEU A 48 4.281 -7.988 9.219 1.00 0.00 C ATOM 738 CG LEU A 48 4.271 -9.384 9.842 1.00 0.00 C ATOM 739 CD1 LEU A 48 5.675 -9.969 9.866 1.00 0.00 C ATOM 740 CD2 LEU A 48 3.687 -9.337 11.247 1.00 0.00 C ATOM 0 H LEU A 48 4.377 -5.870 7.927 1.00 0.00 H new ATOM 0 HA LEU A 48 4.610 -8.631 7.195 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.261 -7.542 9.391 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.553 -7.371 9.747 1.00 0.00 H new ATOM 0 HG LEU A 48 3.641 -10.029 9.229 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.648 -10.963 10.313 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.057 -10.040 8.848 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.328 -9.324 10.455 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.688 -10.339 11.675 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.290 -8.676 11.870 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.665 -8.962 11.204 1.00 0.00 H new ATOM 752 N VAL A 49 2.282 -9.560 7.160 1.00 0.00 N ATOM 753 CA VAL A 49 0.932 -10.045 6.899 1.00 0.00 C ATOM 754 C VAL A 49 0.720 -11.431 7.499 1.00 0.00 C ATOM 755 O VAL A 49 1.483 -12.358 7.228 1.00 0.00 O ATOM 756 CB VAL A 49 0.637 -10.101 5.388 1.00 0.00 C ATOM 757 CG1 VAL A 49 -0.844 -10.342 5.141 1.00 0.00 C ATOM 758 CG2 VAL A 49 1.099 -8.821 4.708 1.00 0.00 C ATOM 0 H VAL A 49 3.008 -10.272 7.083 1.00 0.00 H new ATOM 0 HA VAL A 49 0.247 -9.340 7.369 1.00 0.00 H new ATOM 0 HB VAL A 49 1.192 -10.935 4.958 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.033 -10.378 4.068 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.139 -11.289 5.594 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.423 -9.532 5.584 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.883 -8.877 3.641 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.574 -7.969 5.140 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.172 -8.698 4.855 1.00 0.00 H new ATOM 768 N ARG A 50 -0.321 -11.564 8.314 1.00 0.00 N ATOM 769 CA ARG A 50 -0.633 -12.836 8.953 1.00 0.00 C ATOM 770 C ARG A 50 -2.016 -13.330 8.536 1.00 0.00 C ATOM 771 O ARG A 50 -3.029 -12.708 8.852 1.00 0.00 O ATOM 772 CB ARG A 50 -0.568 -12.697 10.475 1.00 0.00 C ATOM 773 CG ARG A 50 -0.932 -13.971 11.220 1.00 0.00 C ATOM 774 CD ARG A 50 -1.434 -13.672 12.623 1.00 0.00 C ATOM 775 NE ARG A 50 -0.340 -13.376 13.545 1.00 0.00 N ATOM 776 CZ ARG A 50 0.348 -14.310 14.193 1.00 0.00 C ATOM 777 NH1 ARG A 50 0.057 -15.592 14.021 1.00 0.00 N ATOM 778 NH2 ARG A 50 1.330 -13.962 15.014 1.00 0.00 N ATOM 0 H ARG A 50 -0.963 -10.806 8.547 1.00 0.00 H new ATOM 0 HA ARG A 50 0.108 -13.567 8.630 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.439 -12.394 10.761 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.241 -11.899 10.787 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.699 -14.511 10.665 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.060 -14.623 11.276 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.119 -12.825 12.590 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.000 -14.526 12.995 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.091 -12.399 13.700 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.697 -15.864 13.390 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.587 -16.307 14.520 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.557 -12.977 15.148 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.858 -14.680 15.511 1.00 0.00 H new ATOM 792 N ASN A 51 -2.048 -14.451 7.822 1.00 0.00 N ATOM 793 CA ASN A 51 -3.305 -15.027 7.360 1.00 0.00 C ATOM 794 C ASN A 51 -4.267 -15.240 8.526 1.00 0.00 C ATOM 795 O ASN A 51 -4.002 -16.040 9.424 1.00 0.00 O ATOM 796 CB ASN A 51 -3.050 -16.356 6.646 1.00 0.00 C ATOM 797 CG ASN A 51 -4.181 -16.736 5.710 1.00 0.00 C ATOM 798 OD1 ASN A 51 -5.064 -15.927 5.425 1.00 0.00 O ATOM 799 ND2 ASN A 51 -4.158 -17.972 5.227 1.00 0.00 N ATOM 0 H ASN A 51 -1.218 -14.978 7.551 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.760 -14.327 6.659 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.121 -16.289 6.080 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.915 -17.144 7.387 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -4.892 -18.285 4.592 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.406 -18.609 5.491 1.00 0.00 H new ATOM 806 N ILE A 52 -5.383 -14.520 8.504 1.00 0.00 N ATOM 807 CA ILE A 52 -6.384 -14.631 9.557 1.00 0.00 C ATOM 808 C ILE A 52 -7.608 -15.401 9.073 1.00 0.00 C ATOM 809 O ILE A 52 -8.670 -15.352 9.692 1.00 0.00 O ATOM 810 CB ILE A 52 -6.829 -13.245 10.060 1.00 0.00 C ATOM 811 CG1 ILE A 52 -7.415 -12.425 8.909 1.00 0.00 C ATOM 812 CG2 ILE A 52 -5.658 -12.512 10.698 1.00 0.00 C ATOM 813 CD1 ILE A 52 -8.100 -11.154 9.360 1.00 0.00 C ATOM 0 H ILE A 52 -5.617 -13.853 7.768 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.918 -15.174 10.379 1.00 0.00 H new ATOM 0 HB ILE A 52 -7.603 -13.380 10.816 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -6.617 -12.170 8.212 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.131 -13.040 8.363 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.988 -11.534 11.049 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.282 -13.092 11.541 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.864 -12.384 9.962 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -8.491 -10.624 8.492 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -8.920 -11.402 10.034 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.383 -10.519 9.880 1.00 0.00 H new ATOM 825 N GLY A 53 -7.451 -16.113 7.961 1.00 0.00 N ATOM 826 CA GLY A 53 -8.551 -16.885 7.413 1.00 0.00 C ATOM 827 C GLY A 53 -8.583 -18.305 7.943 1.00 0.00 C ATOM 828 O GLY A 53 -7.851 -18.645 8.871 1.00 0.00 O ATOM 0 H GLY A 53 -6.582 -16.169 7.430 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.492 -16.390 7.651 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.469 -16.908 6.326 1.00 0.00 H new ATOM 832 N ASN A 54 -9.436 -19.136 7.353 1.00 0.00 N ATOM 833 CA ASN A 54 -9.563 -20.527 7.772 1.00 0.00 C ATOM 834 C ASN A 54 -8.683 -21.435 6.919 1.00 0.00 C ATOM 835 O ASN A 54 -7.931 -22.259 7.441 1.00 0.00 O ATOM 836 CB ASN A 54 -11.022 -20.979 7.680 1.00 0.00 C ATOM 837 CG ASN A 54 -11.981 -19.960 8.265 1.00 0.00 C ATOM 838 OD1 ASN A 54 -11.795 -19.490 9.388 1.00 0.00 O ATOM 839 ND2 ASN A 54 -13.014 -19.615 7.506 1.00 0.00 N ATOM 0 H ASN A 54 -10.050 -18.870 6.583 1.00 0.00 H new ATOM 0 HA ASN A 54 -9.232 -20.599 8.808 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -11.279 -21.158 6.636 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -11.139 -21.927 8.204 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -13.693 -18.935 7.847 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -13.129 -20.030 6.581 1.00 0.00 H new ATOM 846 N LYS A 55 -8.781 -21.278 5.603 1.00 0.00 N ATOM 847 CA LYS A 55 -7.993 -22.082 4.676 1.00 0.00 C ATOM 848 C LYS A 55 -6.901 -21.242 4.021 1.00 0.00 C ATOM 849 O LYS A 55 -6.795 -20.042 4.269 1.00 0.00 O ATOM 850 CB LYS A 55 -8.897 -22.691 3.602 1.00 0.00 C ATOM 851 CG LYS A 55 -9.361 -24.100 3.925 1.00 0.00 C ATOM 852 CD LYS A 55 -10.765 -24.358 3.404 1.00 0.00 C ATOM 853 CE LYS A 55 -11.507 -25.360 4.275 1.00 0.00 C ATOM 854 NZ LYS A 55 -11.348 -26.754 3.777 1.00 0.00 N ATOM 0 H LYS A 55 -9.398 -20.601 5.154 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.519 -22.885 5.241 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.770 -22.052 3.468 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.362 -22.702 2.652 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.671 -24.821 3.486 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.338 -24.253 5.004 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.320 -23.421 3.372 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.712 -24.732 2.382 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.137 -25.296 5.298 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.566 -25.103 4.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.869 -27.406 4.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.724 -26.822 2.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.340 -27.009 3.775 1.00 0.00 H new ATOM 868 N ASN A 56 -6.093 -21.881 3.181 1.00 0.00 N ATOM 869 CA ASN A 56 -5.009 -21.192 2.489 1.00 0.00 C ATOM 870 C ASN A 56 -5.529 -19.956 1.761 1.00 0.00 C ATOM 871 O ASN A 56 -6.424 -20.048 0.922 1.00 0.00 O ATOM 872 CB ASN A 56 -4.329 -22.135 1.495 1.00 0.00 C ATOM 873 CG ASN A 56 -2.921 -21.692 1.148 1.00 0.00 C ATOM 874 OD1 ASN A 56 -2.270 -20.991 1.923 1.00 0.00 O ATOM 875 ND2 ASN A 56 -2.445 -22.100 -0.023 1.00 0.00 N ATOM 0 H ASN A 56 -6.168 -22.875 2.963 1.00 0.00 H new ATOM 0 HA ASN A 56 -4.280 -20.874 3.234 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.297 -23.140 1.915 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.925 -22.189 0.584 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.504 -21.833 -0.312 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -3.021 -22.680 -0.633 1.00 0.00 H new ATOM 882 N ALA A 57 -4.959 -18.801 2.087 1.00 0.00 N ATOM 883 CA ALA A 57 -5.362 -17.547 1.463 1.00 0.00 C ATOM 884 C ALA A 57 -4.510 -17.247 0.234 1.00 0.00 C ATOM 885 O ALA A 57 -3.289 -17.398 0.261 1.00 0.00 O ATOM 886 CB ALA A 57 -5.268 -16.404 2.463 1.00 0.00 C ATOM 0 H ALA A 57 -4.216 -18.708 2.780 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.398 -17.648 1.140 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.572 -15.474 1.982 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.924 -16.606 3.310 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.240 -16.312 2.814 1.00 0.00 H new ATOM 892 N VAL A 58 -5.163 -16.823 -0.844 1.00 0.00 N ATOM 893 CA VAL A 58 -4.466 -16.501 -2.083 1.00 0.00 C ATOM 894 C VAL A 58 -4.803 -15.091 -2.554 1.00 0.00 C ATOM 895 O VAL A 58 -5.881 -14.847 -3.096 1.00 0.00 O ATOM 896 CB VAL A 58 -4.817 -17.502 -3.200 1.00 0.00 C ATOM 897 CG1 VAL A 58 -4.088 -17.143 -4.487 1.00 0.00 C ATOM 898 CG2 VAL A 58 -4.484 -18.922 -2.767 1.00 0.00 C ATOM 0 H VAL A 58 -6.174 -16.695 -0.884 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.399 -16.563 -1.871 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.889 -17.447 -3.390 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.348 -17.861 -5.265 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.381 -16.142 -4.804 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.012 -17.168 -4.315 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.738 -19.616 -3.568 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.419 -18.995 -2.548 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.056 -19.174 -1.874 1.00 0.00 H new ATOM 908 N PHE A 59 -3.873 -14.165 -2.345 1.00 0.00 N ATOM 909 CA PHE A 59 -4.072 -12.778 -2.747 1.00 0.00 C ATOM 910 C PHE A 59 -3.124 -12.400 -3.883 1.00 0.00 C ATOM 911 O PHE A 59 -1.962 -12.807 -3.898 1.00 0.00 O ATOM 912 CB PHE A 59 -3.856 -11.843 -1.556 1.00 0.00 C ATOM 913 CG PHE A 59 -2.487 -11.953 -0.948 1.00 0.00 C ATOM 914 CD1 PHE A 59 -2.139 -13.056 -0.186 1.00 0.00 C ATOM 915 CD2 PHE A 59 -1.548 -10.952 -1.138 1.00 0.00 C ATOM 916 CE1 PHE A 59 -0.880 -13.161 0.375 1.00 0.00 C ATOM 917 CE2 PHE A 59 -0.287 -11.051 -0.580 1.00 0.00 C ATOM 918 CZ PHE A 59 0.047 -12.156 0.178 1.00 0.00 C ATOM 0 H PHE A 59 -2.974 -14.350 -1.900 1.00 0.00 H new ATOM 0 HA PHE A 59 -5.097 -12.672 -3.101 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.021 -10.814 -1.877 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.603 -12.062 -0.793 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -2.860 -13.844 -0.028 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.804 -10.085 -1.729 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.622 -14.027 0.966 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.436 -10.265 -0.737 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.031 -12.234 0.616 1.00 0.00 H new ATOM 928 N HIS A 60 -3.630 -11.620 -4.833 1.00 0.00 N ATOM 929 CA HIS A 60 -2.830 -11.187 -5.973 1.00 0.00 C ATOM 930 C HIS A 60 -2.957 -9.681 -6.185 1.00 0.00 C ATOM 931 O HIS A 60 -3.970 -9.200 -6.692 1.00 0.00 O ATOM 932 CB HIS A 60 -3.262 -11.930 -7.238 1.00 0.00 C ATOM 933 CG HIS A 60 -2.293 -11.795 -8.372 1.00 0.00 C ATOM 934 ND1 HIS A 60 -2.156 -12.745 -9.361 1.00 0.00 N ATOM 935 CD2 HIS A 60 -1.413 -10.812 -8.672 1.00 0.00 C ATOM 936 CE1 HIS A 60 -1.231 -12.354 -10.219 1.00 0.00 C ATOM 937 NE2 HIS A 60 -0.765 -11.183 -9.824 1.00 0.00 N ATOM 0 H HIS A 60 -4.590 -11.275 -4.836 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.786 -11.420 -5.762 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -3.389 -12.987 -7.003 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -4.235 -11.555 -7.556 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -1.251 -9.904 -8.110 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -0.910 -12.899 -11.094 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -0.041 -10.642 -10.298 1.00 0.00 H new ATOM 946 N ILE A 61 -1.923 -8.945 -5.792 1.00 0.00 N ATOM 947 CA ILE A 61 -1.919 -7.495 -5.939 1.00 0.00 C ATOM 948 C ILE A 61 -1.473 -7.085 -7.339 1.00 0.00 C ATOM 949 O ILE A 61 -0.692 -7.786 -7.984 1.00 0.00 O ATOM 950 CB ILE A 61 -0.997 -6.826 -4.903 1.00 0.00 C ATOM 951 CG1 ILE A 61 -1.312 -7.344 -3.498 1.00 0.00 C ATOM 952 CG2 ILE A 61 -1.146 -5.313 -4.960 1.00 0.00 C ATOM 953 CD1 ILE A 61 -0.110 -7.370 -2.580 1.00 0.00 C ATOM 0 H ILE A 61 -1.078 -9.329 -5.370 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.943 -7.159 -5.773 1.00 0.00 H new ATOM 0 HB ILE A 61 0.036 -7.080 -5.141 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.085 -6.717 -3.053 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.723 -8.351 -3.574 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.488 -4.855 -4.222 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.878 -4.958 -5.955 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.179 -5.041 -4.744 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.407 -7.748 -1.602 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.656 -8.020 -3.002 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.288 -6.361 -2.473 1.00 0.00 H new ATOM 965 N LYS A 62 -1.973 -5.945 -7.804 1.00 0.00 N ATOM 966 CA LYS A 62 -1.625 -5.439 -9.126 1.00 0.00 C ATOM 967 C LYS A 62 -1.495 -3.920 -9.110 1.00 0.00 C ATOM 968 O LYS A 62 -2.450 -3.207 -8.798 1.00 0.00 O ATOM 969 CB LYS A 62 -2.681 -5.861 -10.150 1.00 0.00 C ATOM 970 CG LYS A 62 -2.393 -7.201 -10.804 1.00 0.00 C ATOM 971 CD LYS A 62 -1.453 -7.053 -11.989 1.00 0.00 C ATOM 972 CE LYS A 62 -1.715 -8.116 -13.045 1.00 0.00 C ATOM 973 NZ LYS A 62 -1.335 -9.475 -12.570 1.00 0.00 N ATOM 0 H LYS A 62 -2.621 -5.354 -7.284 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.663 -5.865 -9.409 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.653 -5.907 -9.659 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.751 -5.096 -10.924 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.953 -7.877 -10.071 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.328 -7.654 -11.134 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.574 -6.063 -12.430 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.421 -7.125 -11.647 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.771 -8.108 -13.315 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.154 -7.877 -13.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.493 -9.800 -13.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.126 -9.441 -11.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.121 -10.134 -12.740 1.00 0.00 H new ATOM 987 N THR A 63 -0.307 -3.428 -9.449 1.00 0.00 N ATOM 988 CA THR A 63 -0.052 -1.993 -9.474 1.00 0.00 C ATOM 989 C THR A 63 0.941 -1.630 -10.572 1.00 0.00 C ATOM 990 O THR A 63 1.567 -2.506 -11.170 1.00 0.00 O ATOM 991 CB THR A 63 0.490 -1.495 -8.122 1.00 0.00 C ATOM 992 OG1 THR A 63 0.443 -0.065 -8.071 1.00 0.00 O ATOM 993 CG2 THR A 63 1.920 -1.969 -7.905 1.00 0.00 C ATOM 0 H THR A 63 0.494 -4.003 -9.710 1.00 0.00 H new ATOM 0 HA THR A 63 -1.006 -1.506 -9.676 1.00 0.00 H new ATOM 0 HB THR A 63 -0.137 -1.906 -7.331 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.635 0.236 -7.158 1.00 0.00 H new ATOM 0 HG21 THR A 63 2.282 -1.605 -6.943 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.948 -3.059 -7.914 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.556 -1.583 -8.702 1.00 0.00 H new ATOM 1001 N CYS A 64 1.080 -0.335 -10.832 1.00 0.00 N ATOM 1002 CA CYS A 64 1.998 0.144 -11.860 1.00 0.00 C ATOM 1003 C CYS A 64 2.776 1.361 -11.369 1.00 0.00 C ATOM 1004 O CYS A 64 2.334 2.069 -10.464 1.00 0.00 O ATOM 1005 CB CYS A 64 1.231 0.494 -13.136 1.00 0.00 C ATOM 1006 SG CYS A 64 -0.032 1.768 -12.911 1.00 0.00 S ATOM 0 H CYS A 64 0.569 0.402 -10.346 1.00 0.00 H new ATOM 0 HA CYS A 64 2.707 -0.654 -12.079 1.00 0.00 H new ATOM 0 HB2 CYS A 64 1.940 0.830 -13.893 1.00 0.00 H new ATOM 0 HB3 CYS A 64 0.757 -0.409 -13.521 1.00 0.00 H new ATOM 0 HG CYS A 64 -0.624 1.997 -14.045 1.00 0.00 H new ATOM 1012 N ARG A 65 3.937 1.597 -11.971 1.00 0.00 N ATOM 1013 CA ARG A 65 4.778 2.726 -11.594 1.00 0.00 C ATOM 1014 C ARG A 65 3.979 4.026 -11.604 1.00 0.00 C ATOM 1015 O ARG A 65 2.952 4.147 -12.271 1.00 0.00 O ATOM 1016 CB ARG A 65 5.971 2.841 -12.544 1.00 0.00 C ATOM 1017 CG ARG A 65 6.884 1.626 -12.525 1.00 0.00 C ATOM 1018 CD ARG A 65 8.085 1.818 -13.438 1.00 0.00 C ATOM 1019 NE ARG A 65 8.991 0.673 -13.399 1.00 0.00 N ATOM 1020 CZ ARG A 65 10.281 0.744 -13.709 1.00 0.00 C ATOM 1021 NH1 ARG A 65 10.813 1.901 -14.079 1.00 0.00 N ATOM 1022 NH2 ARG A 65 11.040 -0.342 -13.649 1.00 0.00 N ATOM 0 H ARG A 65 4.317 1.021 -12.722 1.00 0.00 H new ATOM 0 HA ARG A 65 5.144 2.552 -10.582 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.603 2.993 -13.559 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.551 3.725 -12.280 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.226 1.442 -11.506 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.325 0.744 -12.838 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.742 1.974 -14.461 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.625 2.718 -13.142 1.00 0.00 H new ATOM 0 HE ARG A 65 8.612 -0.231 -13.118 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.232 2.738 -14.126 1.00 0.00 H new ATOM 0 HH12 ARG A 65 11.803 1.954 -14.317 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.634 -1.233 -13.365 1.00 0.00 H new ATOM 0 HH22 ARG A 65 12.030 -0.286 -13.887 1.00 0.00 H new ATOM 1036 N PRO A 66 4.460 5.023 -10.846 1.00 0.00 N ATOM 1037 CA PRO A 66 5.682 4.890 -10.046 1.00 0.00 C ATOM 1038 C PRO A 66 5.500 3.946 -8.863 1.00 0.00 C ATOM 1039 O PRO A 66 6.430 3.721 -8.087 1.00 0.00 O ATOM 1040 CB PRO A 66 5.942 6.317 -9.557 1.00 0.00 C ATOM 1041 CG PRO A 66 4.603 6.970 -9.564 1.00 0.00 C ATOM 1042 CD PRO A 66 3.848 6.355 -10.710 1.00 0.00 C ATOM 0 HA PRO A 66 6.504 4.466 -10.623 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.379 6.320 -8.558 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.640 6.839 -10.212 1.00 0.00 H new ATOM 0 HG2 PRO A 66 4.083 6.804 -8.620 1.00 0.00 H new ATOM 0 HG3 PRO A 66 4.696 8.049 -9.692 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.781 6.287 -10.498 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.955 6.941 -11.623 1.00 0.00 H new ATOM 1050 N PHE A 67 4.298 3.396 -8.729 1.00 0.00 N ATOM 1051 CA PHE A 67 3.995 2.475 -7.640 1.00 0.00 C ATOM 1052 C PHE A 67 4.174 1.027 -8.085 1.00 0.00 C ATOM 1053 O PHE A 67 3.617 0.605 -9.099 1.00 0.00 O ATOM 1054 CB PHE A 67 2.565 2.695 -7.141 1.00 0.00 C ATOM 1055 CG PHE A 67 2.456 3.751 -6.079 1.00 0.00 C ATOM 1056 CD1 PHE A 67 3.034 3.563 -4.834 1.00 0.00 C ATOM 1057 CD2 PHE A 67 1.774 4.932 -6.326 1.00 0.00 C ATOM 1058 CE1 PHE A 67 2.936 4.533 -3.855 1.00 0.00 C ATOM 1059 CE2 PHE A 67 1.673 5.906 -5.350 1.00 0.00 C ATOM 1060 CZ PHE A 67 2.253 5.706 -4.113 1.00 0.00 C ATOM 0 H PHE A 67 3.517 3.572 -9.361 1.00 0.00 H new ATOM 0 HA PHE A 67 4.691 2.674 -6.825 1.00 0.00 H new ATOM 0 HB2 PHE A 67 1.933 2.973 -7.985 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.177 1.755 -6.748 1.00 0.00 H new ATOM 0 HD1 PHE A 67 3.568 2.647 -4.626 1.00 0.00 H new ATOM 0 HD2 PHE A 67 1.317 5.093 -7.291 1.00 0.00 H new ATOM 0 HE1 PHE A 67 3.393 4.375 -2.889 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.141 6.823 -5.555 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.173 6.465 -3.349 1.00 0.00 H new ATOM 1070 N SER A 68 4.955 0.271 -7.320 1.00 0.00 N ATOM 1071 CA SER A 68 5.211 -1.129 -7.638 1.00 0.00 C ATOM 1072 C SER A 68 5.430 -1.943 -6.366 1.00 0.00 C ATOM 1073 O SER A 68 5.966 -1.439 -5.378 1.00 0.00 O ATOM 1074 CB SER A 68 6.432 -1.251 -8.552 1.00 0.00 C ATOM 1075 OG SER A 68 6.096 -0.946 -9.894 1.00 0.00 O ATOM 0 H SER A 68 5.421 0.604 -6.476 1.00 0.00 H new ATOM 0 HA SER A 68 4.337 -1.525 -8.156 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.217 -0.577 -8.208 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.833 -2.263 -8.495 1.00 0.00 H new ATOM 0 HG SER A 68 5.218 -0.512 -9.921 1.00 0.00 H new ATOM 1081 N ILE A 69 5.013 -3.204 -6.399 1.00 0.00 N ATOM 1082 CA ILE A 69 5.165 -4.089 -5.250 1.00 0.00 C ATOM 1083 C ILE A 69 5.433 -5.523 -5.693 1.00 0.00 C ATOM 1084 O ILE A 69 5.215 -5.876 -6.851 1.00 0.00 O ATOM 1085 CB ILE A 69 3.913 -4.065 -4.353 1.00 0.00 C ATOM 1086 CG1 ILE A 69 2.958 -5.196 -4.743 1.00 0.00 C ATOM 1087 CG2 ILE A 69 3.215 -2.717 -4.453 1.00 0.00 C ATOM 1088 CD1 ILE A 69 2.387 -5.051 -6.136 1.00 0.00 C ATOM 0 H ILE A 69 4.567 -3.636 -7.208 1.00 0.00 H new ATOM 0 HA ILE A 69 6.018 -3.723 -4.679 1.00 0.00 H new ATOM 0 HB ILE A 69 4.222 -4.216 -3.319 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.486 -6.147 -4.673 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.139 -5.233 -4.025 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.332 -2.716 -3.813 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.897 -1.930 -4.132 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.915 -2.538 -5.486 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.719 -5.887 -6.344 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.831 -4.116 -6.206 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.199 -5.045 -6.863 1.00 0.00 H new ATOM 1100 N GLU A 70 5.904 -6.346 -4.761 1.00 0.00 N ATOM 1101 CA GLU A 70 6.201 -7.743 -5.056 1.00 0.00 C ATOM 1102 C GLU A 70 6.463 -8.526 -3.772 1.00 0.00 C ATOM 1103 O GLU A 70 6.891 -7.977 -2.757 1.00 0.00 O ATOM 1104 CB GLU A 70 7.412 -7.845 -5.985 1.00 0.00 C ATOM 1105 CG GLU A 70 8.743 -7.854 -5.252 1.00 0.00 C ATOM 1106 CD GLU A 70 9.863 -7.241 -6.069 1.00 0.00 C ATOM 1107 OE1 GLU A 70 10.252 -7.846 -7.090 1.00 0.00 O ATOM 1108 OE2 GLU A 70 10.351 -6.156 -5.688 1.00 0.00 O ATOM 0 H GLU A 70 6.088 -6.070 -3.796 1.00 0.00 H new ATOM 0 HA GLU A 70 5.333 -8.175 -5.554 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.328 -8.755 -6.579 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.396 -7.007 -6.682 1.00 0.00 H new ATOM 0 HG2 GLU A 70 8.641 -7.307 -4.315 1.00 0.00 H new ATOM 0 HG3 GLU A 70 9.005 -8.880 -4.995 1.00 0.00 H new ATOM 1115 N PRO A 71 6.199 -9.840 -3.817 1.00 0.00 N ATOM 1116 CA PRO A 71 5.689 -10.504 -5.020 1.00 0.00 C ATOM 1117 C PRO A 71 4.251 -10.106 -5.337 1.00 0.00 C ATOM 1118 O PRO A 71 3.385 -10.124 -4.462 1.00 0.00 O ATOM 1119 CB PRO A 71 5.765 -11.991 -4.664 1.00 0.00 C ATOM 1120 CG PRO A 71 5.693 -12.028 -3.176 1.00 0.00 C ATOM 1121 CD PRO A 71 6.379 -10.779 -2.697 1.00 0.00 C ATOM 0 HA PRO A 71 6.261 -10.234 -5.908 1.00 0.00 H new ATOM 0 HB2 PRO A 71 4.944 -12.548 -5.114 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.690 -12.438 -5.027 1.00 0.00 H new ATOM 0 HG2 PRO A 71 4.658 -12.059 -2.836 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.185 -12.918 -2.784 1.00 0.00 H new ATOM 0 HD2 PRO A 71 5.929 -10.400 -1.779 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.434 -10.955 -2.486 1.00 0.00 H new ATOM 1129 N ALA A 72 4.005 -9.746 -6.592 1.00 0.00 N ATOM 1130 CA ALA A 72 2.671 -9.346 -7.024 1.00 0.00 C ATOM 1131 C ALA A 72 1.606 -10.272 -6.446 1.00 0.00 C ATOM 1132 O ALA A 72 0.479 -9.850 -6.186 1.00 0.00 O ATOM 1133 CB ALA A 72 2.591 -9.329 -8.543 1.00 0.00 C ATOM 0 H ALA A 72 4.711 -9.723 -7.327 1.00 0.00 H new ATOM 0 HA ALA A 72 2.481 -8.340 -6.650 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.590 -9.029 -8.851 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.320 -8.621 -8.938 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.806 -10.325 -8.930 1.00 0.00 H new ATOM 1139 N ILE A 73 1.970 -11.534 -6.249 1.00 0.00 N ATOM 1140 CA ILE A 73 1.045 -12.519 -5.702 1.00 0.00 C ATOM 1141 C ILE A 73 1.757 -13.473 -4.750 1.00 0.00 C ATOM 1142 O ILE A 73 2.950 -13.738 -4.896 1.00 0.00 O ATOM 1143 CB ILE A 73 0.367 -13.336 -6.818 1.00 0.00 C ATOM 1144 CG1 ILE A 73 -0.440 -14.488 -6.218 1.00 0.00 C ATOM 1145 CG2 ILE A 73 1.408 -13.863 -7.794 1.00 0.00 C ATOM 1146 CD1 ILE A 73 -1.426 -15.105 -7.186 1.00 0.00 C ATOM 0 H ILE A 73 2.899 -11.899 -6.460 1.00 0.00 H new ATOM 0 HA ILE A 73 0.283 -11.965 -5.154 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.316 -12.684 -7.362 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.247 -15.260 -5.871 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.980 -14.125 -5.344 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.914 -14.438 -8.577 1.00 0.00 H new ATOM 0 HG22 ILE A 73 1.944 -13.026 -8.242 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.113 -14.503 -7.263 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.962 -15.915 -6.692 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.137 -14.347 -7.514 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.890 -15.498 -8.050 1.00 0.00 H new ATOM 1158 N GLY A 74 1.017 -13.989 -3.773 1.00 0.00 N ATOM 1159 CA GLY A 74 1.594 -14.910 -2.812 1.00 0.00 C ATOM 1160 C GLY A 74 0.541 -15.702 -2.063 1.00 0.00 C ATOM 1161 O GLY A 74 -0.644 -15.368 -2.103 1.00 0.00 O ATOM 0 H GLY A 74 0.028 -13.785 -3.630 1.00 0.00 H new ATOM 0 HA2 GLY A 74 2.262 -15.598 -3.329 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.201 -14.353 -2.098 1.00 0.00 H new ATOM 1165 N THR A 75 0.972 -16.756 -1.377 1.00 0.00 N ATOM 1166 CA THR A 75 0.057 -17.600 -0.618 1.00 0.00 C ATOM 1167 C THR A 75 0.489 -17.706 0.840 1.00 0.00 C ATOM 1168 O THR A 75 1.589 -18.173 1.140 1.00 0.00 O ATOM 1169 CB THR A 75 -0.032 -19.015 -1.220 1.00 0.00 C ATOM 1170 OG1 THR A 75 1.280 -19.570 -1.364 1.00 0.00 O ATOM 1171 CG2 THR A 75 -0.726 -18.985 -2.573 1.00 0.00 C ATOM 0 H THR A 75 1.949 -17.046 -1.331 1.00 0.00 H new ATOM 0 HA THR A 75 -0.925 -17.129 -0.670 1.00 0.00 H new ATOM 0 HB THR A 75 -0.617 -19.637 -0.543 1.00 0.00 H new ATOM 0 HG1 THR A 75 1.868 -19.204 -0.671 1.00 0.00 H new ATOM 0 HG21 THR A 75 -0.777 -19.996 -2.978 1.00 0.00 H new ATOM 0 HG22 THR A 75 -1.735 -18.590 -2.456 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.164 -18.348 -3.256 1.00 0.00 H new ATOM 1179 N LEU A 76 -0.383 -17.272 1.743 1.00 0.00 N ATOM 1180 CA LEU A 76 -0.091 -17.319 3.172 1.00 0.00 C ATOM 1181 C LEU A 76 -0.947 -18.373 3.868 1.00 0.00 C ATOM 1182 O LEU A 76 -2.069 -18.652 3.447 1.00 0.00 O ATOM 1183 CB LEU A 76 -0.333 -15.949 3.807 1.00 0.00 C ATOM 1184 CG LEU A 76 0.391 -15.684 5.128 1.00 0.00 C ATOM 1185 CD1 LEU A 76 1.892 -15.859 4.958 1.00 0.00 C ATOM 1186 CD2 LEU A 76 0.070 -14.288 5.642 1.00 0.00 C ATOM 0 H LEU A 76 -1.297 -16.884 1.512 1.00 0.00 H new ATOM 0 HA LEU A 76 0.958 -17.590 3.295 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.035 -15.182 3.092 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.404 -15.832 3.973 1.00 0.00 H new ATOM 0 HG LEU A 76 0.042 -16.409 5.863 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.391 -15.666 5.908 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.105 -16.878 4.636 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.257 -15.158 4.208 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.594 -14.117 6.583 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.390 -13.548 4.909 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.004 -14.198 5.803 1.00 0.00 H new ATOM 1198 N ASN A 77 -0.410 -18.953 4.936 1.00 0.00 N ATOM 1199 CA ASN A 77 -1.125 -19.975 5.692 1.00 0.00 C ATOM 1200 C ASN A 77 -1.698 -19.397 6.982 1.00 0.00 C ATOM 1201 O ASN A 77 -1.168 -18.430 7.530 1.00 0.00 O ATOM 1202 CB ASN A 77 -0.194 -21.146 6.013 1.00 0.00 C ATOM 1203 CG ASN A 77 0.547 -21.648 4.789 1.00 0.00 C ATOM 1204 OD1 ASN A 77 -0.065 -22.074 3.810 1.00 0.00 O ATOM 1205 ND2 ASN A 77 1.873 -21.600 4.840 1.00 0.00 N ATOM 0 H ASN A 77 0.518 -18.733 5.298 1.00 0.00 H new ATOM 0 HA ASN A 77 -1.951 -20.334 5.078 1.00 0.00 H new ATOM 0 HB2 ASN A 77 0.527 -20.836 6.769 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -0.776 -21.962 6.442 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.426 -21.924 4.047 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.339 -21.239 5.673 1.00 0.00 H new ATOM 1212 N VAL A 78 -2.782 -19.996 7.463 1.00 0.00 N ATOM 1213 CA VAL A 78 -3.426 -19.542 8.690 1.00 0.00 C ATOM 1214 C VAL A 78 -2.444 -19.535 9.856 1.00 0.00 C ATOM 1215 O VAL A 78 -1.725 -20.508 10.081 1.00 0.00 O ATOM 1216 CB VAL A 78 -4.631 -20.430 9.053 1.00 0.00 C ATOM 1217 CG1 VAL A 78 -5.260 -19.969 10.359 1.00 0.00 C ATOM 1218 CG2 VAL A 78 -5.655 -20.425 7.927 1.00 0.00 C ATOM 0 H VAL A 78 -3.233 -20.797 7.022 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.775 -18.526 8.507 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.279 -21.453 9.188 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.110 -20.608 10.599 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.523 -20.030 11.159 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.599 -18.938 10.256 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.500 -21.057 8.200 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.004 -19.407 7.757 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.195 -20.807 7.016 1.00 0.00 H new ATOM 1228 N GLY A 79 -2.420 -18.431 10.596 1.00 0.00 N ATOM 1229 CA GLY A 79 -1.522 -18.318 11.731 1.00 0.00 C ATOM 1230 C GLY A 79 -0.139 -17.844 11.331 1.00 0.00 C ATOM 1231 O GLY A 79 0.482 -17.054 12.041 1.00 0.00 O ATOM 0 H GLY A 79 -3.006 -17.613 10.430 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -1.945 -17.624 12.457 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -1.442 -19.286 12.225 1.00 0.00 H new ATOM 1235 N GLU A 80 0.345 -18.329 10.192 1.00 0.00 N ATOM 1236 CA GLU A 80 1.665 -17.951 9.701 1.00 0.00 C ATOM 1237 C GLU A 80 1.667 -16.510 9.200 1.00 0.00 C ATOM 1238 O GLU A 80 0.633 -15.982 8.790 1.00 0.00 O ATOM 1239 CB GLU A 80 2.106 -18.893 8.579 1.00 0.00 C ATOM 1240 CG GLU A 80 2.263 -20.338 9.024 1.00 0.00 C ATOM 1241 CD GLU A 80 3.241 -20.491 10.173 1.00 0.00 C ATOM 1242 OE1 GLU A 80 4.393 -20.028 10.038 1.00 0.00 O ATOM 1243 OE2 GLU A 80 2.854 -21.075 11.207 1.00 0.00 O ATOM 0 H GLU A 80 -0.157 -18.984 9.592 1.00 0.00 H new ATOM 0 HA GLU A 80 2.369 -18.031 10.530 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.377 -18.848 7.770 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.054 -18.542 8.173 1.00 0.00 H new ATOM 0 HG2 GLU A 80 1.291 -20.730 9.324 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.602 -20.939 8.180 1.00 0.00 H new ATOM 1250 N SER A 81 2.836 -15.878 9.236 1.00 0.00 N ATOM 1251 CA SER A 81 2.973 -14.497 8.790 1.00 0.00 C ATOM 1252 C SER A 81 3.901 -14.405 7.582 1.00 0.00 C ATOM 1253 O SER A 81 4.408 -15.416 7.098 1.00 0.00 O ATOM 1254 CB SER A 81 3.508 -13.622 9.925 1.00 0.00 C ATOM 1255 OG SER A 81 4.218 -12.505 9.418 1.00 0.00 O ATOM 0 H SER A 81 3.702 -16.301 9.570 1.00 0.00 H new ATOM 0 HA SER A 81 1.987 -14.137 8.497 1.00 0.00 H new ATOM 0 HB2 SER A 81 2.680 -13.279 10.545 1.00 0.00 H new ATOM 0 HB3 SER A 81 4.163 -14.213 10.566 1.00 0.00 H new ATOM 0 HG SER A 81 5.161 -12.744 9.298 1.00 0.00 H new ATOM 1261 N MET A 82 4.117 -13.185 7.101 1.00 0.00 N ATOM 1262 CA MET A 82 4.984 -12.961 5.950 1.00 0.00 C ATOM 1263 C MET A 82 5.290 -11.476 5.782 1.00 0.00 C ATOM 1264 O MET A 82 4.693 -10.631 6.448 1.00 0.00 O ATOM 1265 CB MET A 82 4.332 -13.507 4.679 1.00 0.00 C ATOM 1266 CG MET A 82 3.334 -12.549 4.048 1.00 0.00 C ATOM 1267 SD MET A 82 2.600 -13.206 2.538 1.00 0.00 S ATOM 1268 CE MET A 82 4.007 -13.162 1.430 1.00 0.00 C ATOM 0 H MET A 82 3.704 -12.337 7.490 1.00 0.00 H new ATOM 0 HA MET A 82 5.921 -13.490 6.124 1.00 0.00 H new ATOM 0 HB2 MET A 82 5.110 -13.739 3.952 1.00 0.00 H new ATOM 0 HB3 MET A 82 3.826 -14.443 4.914 1.00 0.00 H new ATOM 0 HG2 MET A 82 2.544 -12.329 4.766 1.00 0.00 H new ATOM 0 HG3 MET A 82 3.833 -11.606 3.824 1.00 0.00 H new ATOM 0 HE1 MET A 82 3.663 -13.262 0.401 1.00 0.00 H new ATOM 0 HE2 MET A 82 4.532 -12.214 1.547 1.00 0.00 H new ATOM 0 HE3 MET A 82 4.683 -13.983 1.668 1.00 0.00 H new ATOM 1278 N GLN A 83 6.223 -11.166 4.888 1.00 0.00 N ATOM 1279 CA GLN A 83 6.608 -9.783 4.634 1.00 0.00 C ATOM 1280 C GLN A 83 6.389 -9.417 3.169 1.00 0.00 C ATOM 1281 O GLN A 83 6.748 -10.177 2.268 1.00 0.00 O ATOM 1282 CB GLN A 83 8.073 -9.561 5.014 1.00 0.00 C ATOM 1283 CG GLN A 83 8.285 -9.311 6.498 1.00 0.00 C ATOM 1284 CD GLN A 83 9.722 -9.533 6.928 1.00 0.00 C ATOM 1285 OE1 GLN A 83 10.258 -10.634 6.798 1.00 0.00 O ATOM 1286 NE2 GLN A 83 10.355 -8.486 7.443 1.00 0.00 N ATOM 0 H GLN A 83 6.726 -11.854 4.328 1.00 0.00 H new ATOM 0 HA GLN A 83 5.979 -9.139 5.248 1.00 0.00 H new ATOM 0 HB2 GLN A 83 8.654 -10.433 4.714 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.461 -8.712 4.452 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.993 -8.288 6.736 1.00 0.00 H new ATOM 0 HG3 GLN A 83 7.632 -9.970 7.070 1.00 0.00 H new ATOM 0 HE21 GLN A 83 9.873 -7.592 7.532 1.00 0.00 H new ATOM 0 HE22 GLN A 83 11.324 -8.576 7.749 1.00 0.00 H new ATOM 1295 N LEU A 84 5.799 -8.250 2.938 1.00 0.00 N ATOM 1296 CA LEU A 84 5.531 -7.783 1.582 1.00 0.00 C ATOM 1297 C LEU A 84 6.287 -6.490 1.293 1.00 0.00 C ATOM 1298 O LEU A 84 6.054 -5.467 1.935 1.00 0.00 O ATOM 1299 CB LEU A 84 4.030 -7.566 1.383 1.00 0.00 C ATOM 1300 CG LEU A 84 3.168 -8.828 1.348 1.00 0.00 C ATOM 1301 CD1 LEU A 84 1.696 -8.466 1.229 1.00 0.00 C ATOM 1302 CD2 LEU A 84 3.592 -9.732 0.200 1.00 0.00 C ATOM 0 H LEU A 84 5.497 -7.609 3.672 1.00 0.00 H new ATOM 0 HA LEU A 84 5.876 -8.547 0.886 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.667 -6.924 2.186 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.882 -7.023 0.449 1.00 0.00 H new ATOM 0 HG LEU A 84 3.313 -9.370 2.283 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.098 -9.377 1.206 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.400 -7.860 2.085 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.533 -7.901 0.311 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.968 -10.625 0.191 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.477 -9.199 -0.744 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.635 -10.020 0.330 1.00 0.00 H new ATOM 1314 N GLU A 85 7.191 -6.544 0.319 1.00 0.00 N ATOM 1315 CA GLU A 85 7.979 -5.376 -0.056 1.00 0.00 C ATOM 1316 C GLU A 85 7.254 -4.547 -1.112 1.00 0.00 C ATOM 1317 O GLU A 85 6.646 -5.090 -2.034 1.00 0.00 O ATOM 1318 CB GLU A 85 9.350 -5.806 -0.581 1.00 0.00 C ATOM 1319 CG GLU A 85 10.405 -5.936 0.504 1.00 0.00 C ATOM 1320 CD GLU A 85 10.374 -7.289 1.189 1.00 0.00 C ATOM 1321 OE1 GLU A 85 9.774 -8.226 0.624 1.00 0.00 O ATOM 1322 OE2 GLU A 85 10.950 -7.409 2.291 1.00 0.00 O ATOM 0 H GLU A 85 7.395 -7.383 -0.224 1.00 0.00 H new ATOM 0 HA GLU A 85 8.115 -4.760 0.833 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.249 -6.762 -1.094 1.00 0.00 H new ATOM 0 HB3 GLU A 85 9.690 -5.081 -1.321 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.391 -5.776 0.068 1.00 0.00 H new ATOM 0 HG3 GLU A 85 10.255 -5.153 1.247 1.00 0.00 H new ATOM 1329 N VAL A 86 7.324 -3.227 -0.970 1.00 0.00 N ATOM 1330 CA VAL A 86 6.675 -2.321 -1.911 1.00 0.00 C ATOM 1331 C VAL A 86 7.643 -1.248 -2.396 1.00 0.00 C ATOM 1332 O VAL A 86 8.180 -0.478 -1.601 1.00 0.00 O ATOM 1333 CB VAL A 86 5.446 -1.641 -1.279 1.00 0.00 C ATOM 1334 CG1 VAL A 86 4.851 -0.619 -2.235 1.00 0.00 C ATOM 1335 CG2 VAL A 86 4.408 -2.680 -0.883 1.00 0.00 C ATOM 0 H VAL A 86 7.824 -2.761 -0.212 1.00 0.00 H new ATOM 0 HA VAL A 86 6.351 -2.924 -2.759 1.00 0.00 H new ATOM 0 HB VAL A 86 5.765 -1.117 -0.378 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.984 -0.149 -1.771 1.00 0.00 H new ATOM 0 HG12 VAL A 86 5.597 0.142 -2.465 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.545 -1.117 -3.155 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.546 -2.182 -0.438 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.091 -3.233 -1.767 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.842 -3.370 -0.160 1.00 0.00 H new ATOM 1345 N GLU A 87 7.859 -1.203 -3.707 1.00 0.00 N ATOM 1346 CA GLU A 87 8.763 -0.224 -4.298 1.00 0.00 C ATOM 1347 C GLU A 87 7.982 0.912 -4.952 1.00 0.00 C ATOM 1348 O GLU A 87 7.024 0.678 -5.689 1.00 0.00 O ATOM 1349 CB GLU A 87 9.672 -0.893 -5.332 1.00 0.00 C ATOM 1350 CG GLU A 87 10.986 -0.163 -5.550 1.00 0.00 C ATOM 1351 CD GLU A 87 11.452 -0.220 -6.992 1.00 0.00 C ATOM 1352 OE1 GLU A 87 10.742 0.317 -7.867 1.00 0.00 O ATOM 1353 OE2 GLU A 87 12.528 -0.802 -7.245 1.00 0.00 O ATOM 0 H GLU A 87 7.421 -1.833 -4.379 1.00 0.00 H new ATOM 0 HA GLU A 87 9.378 0.192 -3.500 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.882 -1.914 -5.012 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.141 -0.959 -6.282 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.873 0.879 -5.249 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.751 -0.599 -4.907 1.00 0.00 H new ATOM 1360 N PHE A 88 8.398 2.144 -4.675 1.00 0.00 N ATOM 1361 CA PHE A 88 7.737 3.318 -5.235 1.00 0.00 C ATOM 1362 C PHE A 88 8.687 4.511 -5.273 1.00 0.00 C ATOM 1363 O PHE A 88 9.030 5.077 -4.236 1.00 0.00 O ATOM 1364 CB PHE A 88 6.493 3.668 -4.415 1.00 0.00 C ATOM 1365 CG PHE A 88 6.152 5.130 -4.438 1.00 0.00 C ATOM 1366 CD1 PHE A 88 5.639 5.717 -5.584 1.00 0.00 C ATOM 1367 CD2 PHE A 88 6.345 5.918 -3.315 1.00 0.00 C ATOM 1368 CE1 PHE A 88 5.324 7.063 -5.609 1.00 0.00 C ATOM 1369 CE2 PHE A 88 6.031 7.264 -3.334 1.00 0.00 C ATOM 1370 CZ PHE A 88 5.521 7.838 -4.482 1.00 0.00 C ATOM 0 H PHE A 88 9.189 2.355 -4.067 1.00 0.00 H new ATOM 0 HA PHE A 88 7.437 3.083 -6.256 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.645 3.099 -4.796 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.649 3.356 -3.382 1.00 0.00 H new ATOM 0 HD1 PHE A 88 5.484 5.116 -6.468 1.00 0.00 H new ATOM 0 HD2 PHE A 88 6.745 5.476 -2.415 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.924 7.508 -6.508 1.00 0.00 H new ATOM 0 HE2 PHE A 88 6.184 7.867 -2.451 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.277 8.890 -4.499 1.00 0.00 H new ATOM 1380 N GLU A 89 9.109 4.885 -6.477 1.00 0.00 N ATOM 1381 CA GLU A 89 10.021 6.009 -6.650 1.00 0.00 C ATOM 1382 C GLU A 89 9.343 7.148 -7.407 1.00 0.00 C ATOM 1383 O GLU A 89 9.200 7.116 -8.629 1.00 0.00 O ATOM 1384 CB GLU A 89 11.279 5.564 -7.398 1.00 0.00 C ATOM 1385 CG GLU A 89 12.305 6.670 -7.578 1.00 0.00 C ATOM 1386 CD GLU A 89 13.504 6.228 -8.394 1.00 0.00 C ATOM 1387 OE1 GLU A 89 13.310 5.804 -9.553 1.00 0.00 O ATOM 1388 OE2 GLU A 89 14.636 6.305 -7.873 1.00 0.00 O ATOM 0 H GLU A 89 8.834 4.427 -7.346 1.00 0.00 H new ATOM 0 HA GLU A 89 10.304 6.370 -5.661 1.00 0.00 H new ATOM 0 HB2 GLU A 89 11.740 4.738 -6.857 1.00 0.00 H new ATOM 0 HB3 GLU A 89 10.993 5.183 -8.378 1.00 0.00 H new ATOM 0 HG2 GLU A 89 11.833 7.522 -8.066 1.00 0.00 H new ATOM 0 HG3 GLU A 89 12.642 7.010 -6.599 1.00 0.00 H new ATOM 1395 N PRO A 90 8.915 8.179 -6.663 1.00 0.00 N ATOM 1396 CA PRO A 90 8.245 9.348 -7.242 1.00 0.00 C ATOM 1397 C PRO A 90 9.193 10.210 -8.068 1.00 0.00 C ATOM 1398 O PRO A 90 10.306 10.512 -7.636 1.00 0.00 O ATOM 1399 CB PRO A 90 7.753 10.118 -6.014 1.00 0.00 C ATOM 1400 CG PRO A 90 8.675 9.712 -4.917 1.00 0.00 C ATOM 1401 CD PRO A 90 9.052 8.284 -5.201 1.00 0.00 C ATOM 0 HA PRO A 90 7.449 9.063 -7.930 1.00 0.00 H new ATOM 0 HB2 PRO A 90 7.787 11.194 -6.182 1.00 0.00 H new ATOM 0 HB3 PRO A 90 6.720 9.865 -5.776 1.00 0.00 H new ATOM 0 HG2 PRO A 90 9.558 10.351 -4.892 1.00 0.00 H new ATOM 0 HG3 PRO A 90 8.189 9.802 -3.945 1.00 0.00 H new ATOM 0 HD2 PRO A 90 10.069 8.065 -4.876 1.00 0.00 H new ATOM 0 HD3 PRO A 90 8.395 7.585 -4.685 1.00 0.00 H new ATOM 1409 N GLN A 91 8.745 10.604 -9.256 1.00 0.00 N ATOM 1410 CA GLN A 91 9.556 11.431 -10.141 1.00 0.00 C ATOM 1411 C GLN A 91 9.163 12.901 -10.023 1.00 0.00 C ATOM 1412 O GLN A 91 9.490 13.712 -10.889 1.00 0.00 O ATOM 1413 CB GLN A 91 9.404 10.965 -11.590 1.00 0.00 C ATOM 1414 CG GLN A 91 10.536 11.421 -12.497 1.00 0.00 C ATOM 1415 CD GLN A 91 11.730 10.489 -12.454 1.00 0.00 C ATOM 1416 OE1 GLN A 91 12.497 10.559 -11.373 1.00 0.00 O flip ATOM 1417 NE2 GLN A 91 11.961 9.714 -13.383 1.00 0.00 N flip ATOM 0 H GLN A 91 7.826 10.364 -9.627 1.00 0.00 H new ATOM 0 HA GLN A 91 10.599 11.327 -9.841 1.00 0.00 H new ATOM 0 HB2 GLN A 91 9.350 9.877 -11.609 1.00 0.00 H new ATOM 0 HB3 GLN A 91 8.459 11.338 -11.986 1.00 0.00 H new ATOM 0 HG2 GLN A 91 10.170 11.490 -13.522 1.00 0.00 H new ATOM 0 HG3 GLN A 91 10.851 12.422 -12.203 1.00 0.00 H new ATOM 0 HE21 GLN A 91 11.345 9.694 -14.195 1.00 0.00 H new ATOM 0 HE22 GLN A 91 12.769 9.093 -13.340 1.00 0.00 H new ATOM 1426 N SER A 92 8.460 13.236 -8.946 1.00 0.00 N ATOM 1427 CA SER A 92 8.019 14.606 -8.717 1.00 0.00 C ATOM 1428 C SER A 92 7.983 14.923 -7.225 1.00 0.00 C ATOM 1429 O SER A 92 7.664 14.063 -6.403 1.00 0.00 O ATOM 1430 CB SER A 92 6.636 14.829 -9.331 1.00 0.00 C ATOM 1431 OG SER A 92 6.702 14.843 -10.747 1.00 0.00 O ATOM 0 H SER A 92 8.184 12.577 -8.218 1.00 0.00 H new ATOM 0 HA SER A 92 8.733 15.276 -9.196 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.958 14.041 -9.003 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.224 15.773 -8.974 1.00 0.00 H new ATOM 0 HG SER A 92 5.805 14.985 -11.115 1.00 0.00 H new ATOM 1437 N VAL A 93 8.311 16.165 -6.882 1.00 0.00 N ATOM 1438 CA VAL A 93 8.316 16.597 -5.489 1.00 0.00 C ATOM 1439 C VAL A 93 6.901 16.880 -4.997 1.00 0.00 C ATOM 1440 O VAL A 93 6.051 17.347 -5.754 1.00 0.00 O ATOM 1441 CB VAL A 93 9.176 17.860 -5.297 1.00 0.00 C ATOM 1442 CG1 VAL A 93 9.266 18.226 -3.823 1.00 0.00 C ATOM 1443 CG2 VAL A 93 10.562 17.655 -5.889 1.00 0.00 C ATOM 0 H VAL A 93 8.577 16.889 -7.549 1.00 0.00 H new ATOM 0 HA VAL A 93 8.745 15.782 -4.906 1.00 0.00 H new ATOM 0 HB VAL A 93 8.699 18.687 -5.824 1.00 0.00 H new ATOM 0 HG11 VAL A 93 9.878 19.121 -3.707 1.00 0.00 H new ATOM 0 HG12 VAL A 93 8.266 18.417 -3.434 1.00 0.00 H new ATOM 0 HG13 VAL A 93 9.719 17.403 -3.271 1.00 0.00 H new ATOM 0 HG21 VAL A 93 11.156 18.557 -5.745 1.00 0.00 H new ATOM 0 HG22 VAL A 93 11.049 16.816 -5.392 1.00 0.00 H new ATOM 0 HG23 VAL A 93 10.475 17.445 -6.955 1.00 0.00 H new ATOM 1453 N GLY A 94 6.655 16.594 -3.722 1.00 0.00 N ATOM 1454 CA GLY A 94 5.341 16.824 -3.150 1.00 0.00 C ATOM 1455 C GLY A 94 4.815 15.616 -2.402 1.00 0.00 C ATOM 1456 O GLY A 94 5.513 15.043 -1.565 1.00 0.00 O ATOM 0 H GLY A 94 7.342 16.207 -3.075 1.00 0.00 H new ATOM 0 HA2 GLY A 94 5.388 17.676 -2.471 1.00 0.00 H new ATOM 0 HA3 GLY A 94 4.643 17.088 -3.945 1.00 0.00 H new ATOM 1460 N ASP A 95 3.580 15.228 -2.701 1.00 0.00 N ATOM 1461 CA ASP A 95 2.960 14.080 -2.050 1.00 0.00 C ATOM 1462 C ASP A 95 2.181 13.239 -3.057 1.00 0.00 C ATOM 1463 O ASP A 95 1.348 13.757 -3.802 1.00 0.00 O ATOM 1464 CB ASP A 95 2.031 14.544 -0.928 1.00 0.00 C ATOM 1465 CG ASP A 95 1.959 13.548 0.213 1.00 0.00 C ATOM 1466 OD1 ASP A 95 2.824 12.649 0.271 1.00 0.00 O ATOM 1467 OD2 ASP A 95 1.037 13.667 1.048 1.00 0.00 O ATOM 0 H ASP A 95 2.988 15.692 -3.390 1.00 0.00 H new ATOM 0 HA ASP A 95 3.752 13.463 -1.624 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.378 15.504 -0.547 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.031 14.703 -1.331 1.00 0.00 H new ATOM 1472 N HIS A 96 2.459 11.939 -3.075 1.00 0.00 N ATOM 1473 CA HIS A 96 1.785 11.026 -3.992 1.00 0.00 C ATOM 1474 C HIS A 96 0.854 10.085 -3.233 1.00 0.00 C ATOM 1475 O HIS A 96 1.106 9.745 -2.077 1.00 0.00 O ATOM 1476 CB HIS A 96 2.810 10.218 -4.786 1.00 0.00 C ATOM 1477 CG HIS A 96 3.569 11.032 -5.789 1.00 0.00 C ATOM 1478 ND1 HIS A 96 3.621 10.716 -7.130 1.00 0.00 N ATOM 1479 CD2 HIS A 96 4.306 12.157 -5.640 1.00 0.00 C ATOM 1480 CE1 HIS A 96 4.360 11.611 -7.762 1.00 0.00 C ATOM 1481 NE2 HIS A 96 4.787 12.496 -6.880 1.00 0.00 N ATOM 0 H HIS A 96 3.146 11.494 -2.466 1.00 0.00 H new ATOM 0 HA HIS A 96 1.188 11.620 -4.684 1.00 0.00 H new ATOM 0 HB2 HIS A 96 3.516 9.761 -4.093 1.00 0.00 H new ATOM 0 HB3 HIS A 96 2.299 9.405 -5.302 1.00 0.00 H new ATOM 0 HD1 HIS A 96 3.161 9.917 -7.566 1.00 0.00 H new ATOM 0 HD2 HIS A 96 4.483 12.689 -4.717 1.00 0.00 H new ATOM 0 HE1 HIS A 96 4.578 11.617 -8.820 1.00 0.00 H new ATOM 1490 N SER A 97 -0.223 9.667 -3.892 1.00 0.00 N ATOM 1491 CA SER A 97 -1.193 8.769 -3.278 1.00 0.00 C ATOM 1492 C SER A 97 -1.846 7.875 -4.329 1.00 0.00 C ATOM 1493 O SER A 97 -2.174 8.325 -5.425 1.00 0.00 O ATOM 1494 CB SER A 97 -2.265 9.570 -2.537 1.00 0.00 C ATOM 1495 OG SER A 97 -2.995 10.394 -3.430 1.00 0.00 O ATOM 0 H SER A 97 -0.445 9.936 -4.850 1.00 0.00 H new ATOM 0 HA SER A 97 -0.665 8.137 -2.564 1.00 0.00 H new ATOM 0 HB2 SER A 97 -2.946 8.888 -2.028 1.00 0.00 H new ATOM 0 HB3 SER A 97 -1.797 10.186 -1.769 1.00 0.00 H new ATOM 0 HG SER A 97 -3.675 10.894 -2.932 1.00 0.00 H new ATOM 1501 N GLY A 98 -2.032 6.605 -3.983 1.00 0.00 N ATOM 1502 CA GLY A 98 -2.644 5.667 -4.906 1.00 0.00 C ATOM 1503 C GLY A 98 -3.587 4.703 -4.213 1.00 0.00 C ATOM 1504 O GLY A 98 -4.147 5.019 -3.163 1.00 0.00 O ATOM 0 H GLY A 98 -1.770 6.209 -3.080 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.191 6.219 -5.671 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.864 5.103 -5.417 1.00 0.00 H new ATOM 1508 N ARG A 99 -3.764 3.525 -4.801 1.00 0.00 N ATOM 1509 CA ARG A 99 -4.647 2.513 -4.235 1.00 0.00 C ATOM 1510 C ARG A 99 -4.241 1.116 -4.696 1.00 0.00 C ATOM 1511 O ARG A 99 -4.130 0.854 -5.895 1.00 0.00 O ATOM 1512 CB ARG A 99 -6.098 2.791 -4.634 1.00 0.00 C ATOM 1513 CG ARG A 99 -7.084 1.767 -4.097 1.00 0.00 C ATOM 1514 CD ARG A 99 -8.521 2.233 -4.271 1.00 0.00 C ATOM 1515 NE ARG A 99 -8.935 2.218 -5.672 1.00 0.00 N ATOM 1516 CZ ARG A 99 -9.794 3.087 -6.194 1.00 0.00 C ATOM 1517 NH1 ARG A 99 -10.326 4.035 -5.435 1.00 0.00 N ATOM 1518 NH2 ARG A 99 -10.121 3.009 -7.477 1.00 0.00 N ATOM 0 H ARG A 99 -3.307 3.248 -5.670 1.00 0.00 H new ATOM 0 HA ARG A 99 -4.560 2.558 -3.149 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -6.382 3.780 -4.274 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -6.169 2.815 -5.721 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -6.943 0.818 -4.615 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -6.884 1.587 -3.041 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -9.183 1.591 -3.690 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -8.626 3.242 -3.873 1.00 0.00 H new ATOM 0 HE ARG A 99 -8.543 1.501 -6.283 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -10.076 4.098 -4.448 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -10.985 4.701 -5.838 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -9.713 2.281 -8.064 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -10.781 3.677 -7.877 1.00 0.00 H new ATOM 1532 N LEU A 100 -4.019 0.224 -3.737 1.00 0.00 N ATOM 1533 CA LEU A 100 -3.623 -1.146 -4.044 1.00 0.00 C ATOM 1534 C LEU A 100 -4.839 -2.067 -4.089 1.00 0.00 C ATOM 1535 O LEU A 100 -5.474 -2.323 -3.065 1.00 0.00 O ATOM 1536 CB LEU A 100 -2.623 -1.655 -3.005 1.00 0.00 C ATOM 1537 CG LEU A 100 -1.235 -1.014 -3.041 1.00 0.00 C ATOM 1538 CD1 LEU A 100 -0.357 -1.582 -1.936 1.00 0.00 C ATOM 1539 CD2 LEU A 100 -0.585 -1.224 -4.401 1.00 0.00 C ATOM 0 H LEU A 100 -4.106 0.425 -2.741 1.00 0.00 H new ATOM 0 HA LEU A 100 -3.150 -1.149 -5.026 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -3.048 -1.499 -2.014 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.508 -2.731 -3.137 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.346 0.058 -2.875 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.627 -1.115 -1.977 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.815 -1.380 -0.968 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -0.253 -2.659 -2.071 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.402 -0.761 -4.408 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.486 -2.292 -4.596 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -1.204 -0.770 -5.174 1.00 0.00 H new ATOM 1551 N ILE A 101 -5.156 -2.562 -5.281 1.00 0.00 N ATOM 1552 CA ILE A 101 -6.294 -3.456 -5.457 1.00 0.00 C ATOM 1553 C ILE A 101 -5.861 -4.917 -5.385 1.00 0.00 C ATOM 1554 O ILE A 101 -5.284 -5.452 -6.332 1.00 0.00 O ATOM 1555 CB ILE A 101 -7.002 -3.208 -6.802 1.00 0.00 C ATOM 1556 CG1 ILE A 101 -7.570 -1.788 -6.850 1.00 0.00 C ATOM 1557 CG2 ILE A 101 -8.105 -4.233 -7.018 1.00 0.00 C ATOM 1558 CD1 ILE A 101 -8.015 -1.361 -8.231 1.00 0.00 C ATOM 0 H ILE A 101 -4.641 -2.359 -6.138 1.00 0.00 H new ATOM 0 HA ILE A 101 -6.990 -3.245 -4.645 1.00 0.00 H new ATOM 0 HB ILE A 101 -6.272 -3.315 -7.605 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -8.417 -1.721 -6.167 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -6.814 -1.091 -6.489 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -8.596 -4.044 -7.973 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -7.675 -5.235 -7.023 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -8.836 -4.156 -6.213 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -8.406 -0.345 -8.189 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -7.166 -1.395 -8.914 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -8.794 -2.035 -8.587 1.00 0.00 H new ATOM 1570 N VAL A 102 -6.145 -5.557 -4.256 1.00 0.00 N ATOM 1571 CA VAL A 102 -5.787 -6.957 -4.061 1.00 0.00 C ATOM 1572 C VAL A 102 -6.948 -7.876 -4.426 1.00 0.00 C ATOM 1573 O VAL A 102 -8.037 -7.773 -3.860 1.00 0.00 O ATOM 1574 CB VAL A 102 -5.368 -7.232 -2.604 1.00 0.00 C ATOM 1575 CG1 VAL A 102 -4.851 -8.655 -2.457 1.00 0.00 C ATOM 1576 CG2 VAL A 102 -4.321 -6.226 -2.153 1.00 0.00 C ATOM 0 H VAL A 102 -6.622 -5.129 -3.462 1.00 0.00 H new ATOM 0 HA VAL A 102 -4.943 -7.163 -4.719 1.00 0.00 H new ATOM 0 HB VAL A 102 -6.244 -7.122 -1.965 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -4.560 -8.831 -1.422 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -5.635 -9.358 -2.738 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -3.987 -8.797 -3.106 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -4.036 -6.435 -1.122 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -3.443 -6.302 -2.794 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -4.732 -5.219 -2.219 1.00 0.00 H new ATOM 1586 N CYS A 103 -6.707 -8.775 -5.374 1.00 0.00 N ATOM 1587 CA CYS A 103 -7.733 -9.714 -5.816 1.00 0.00 C ATOM 1588 C CYS A 103 -7.490 -11.100 -5.228 1.00 0.00 C ATOM 1589 O CYS A 103 -6.374 -11.619 -5.273 1.00 0.00 O ATOM 1590 CB CYS A 103 -7.759 -9.792 -7.343 1.00 0.00 C ATOM 1591 SG CYS A 103 -8.500 -8.350 -8.143 1.00 0.00 S ATOM 0 H CYS A 103 -5.811 -8.874 -5.851 1.00 0.00 H new ATOM 0 HA CYS A 103 -8.698 -9.353 -5.462 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -6.739 -9.912 -7.707 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -8.311 -10.683 -7.641 1.00 0.00 H new ATOM 0 HG CYS A 103 -8.474 -8.508 -9.433 1.00 0.00 H new ATOM 1597 N TYR A 104 -8.542 -11.695 -4.676 1.00 0.00 N ATOM 1598 CA TYR A 104 -8.443 -13.020 -4.075 1.00 0.00 C ATOM 1599 C TYR A 104 -8.988 -14.088 -5.018 1.00 0.00 C ATOM 1600 O TYR A 104 -10.008 -13.887 -5.678 1.00 0.00 O ATOM 1601 CB TYR A 104 -9.203 -13.059 -2.748 1.00 0.00 C ATOM 1602 CG TYR A 104 -8.539 -12.265 -1.646 1.00 0.00 C ATOM 1603 CD1 TYR A 104 -8.523 -10.876 -1.676 1.00 0.00 C ATOM 1604 CD2 TYR A 104 -7.928 -12.903 -0.574 1.00 0.00 C ATOM 1605 CE1 TYR A 104 -7.916 -10.146 -0.672 1.00 0.00 C ATOM 1606 CE2 TYR A 104 -7.320 -12.182 0.436 1.00 0.00 C ATOM 1607 CZ TYR A 104 -7.317 -10.804 0.382 1.00 0.00 C ATOM 1608 OH TYR A 104 -6.713 -10.080 1.385 1.00 0.00 O ATOM 0 H TYR A 104 -9.473 -11.281 -4.632 1.00 0.00 H new ATOM 0 HA TYR A 104 -7.390 -13.229 -3.889 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -10.211 -12.674 -2.905 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -9.304 -14.096 -2.427 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -8.993 -10.358 -2.499 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -7.928 -13.982 -0.529 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -7.911 -9.067 -0.712 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -6.850 -12.694 1.262 1.00 0.00 H new ATOM 0 HH TYR A 104 -7.232 -10.170 2.211 1.00 0.00 H new ATOM 1618 N ASP A 105 -8.302 -15.224 -5.074 1.00 0.00 N ATOM 1619 CA ASP A 105 -8.717 -16.326 -5.934 1.00 0.00 C ATOM 1620 C ASP A 105 -10.219 -16.569 -5.820 1.00 0.00 C ATOM 1621 O ASP A 105 -10.900 -16.796 -6.820 1.00 0.00 O ATOM 1622 CB ASP A 105 -7.953 -17.600 -5.571 1.00 0.00 C ATOM 1623 CG ASP A 105 -6.645 -17.726 -6.327 1.00 0.00 C ATOM 1624 OD1 ASP A 105 -6.029 -16.681 -6.626 1.00 0.00 O ATOM 1625 OD2 ASP A 105 -6.237 -18.869 -6.620 1.00 0.00 O ATOM 0 H ASP A 105 -7.456 -15.406 -4.534 1.00 0.00 H new ATOM 0 HA ASP A 105 -8.488 -16.056 -6.965 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -7.752 -17.607 -4.500 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -8.577 -18.468 -5.784 1.00 0.00 H new ATOM 1630 N THR A 106 -10.729 -16.521 -4.593 1.00 0.00 N ATOM 1631 CA THR A 106 -12.149 -16.738 -4.347 1.00 0.00 C ATOM 1632 C THR A 106 -13.001 -15.758 -5.146 1.00 0.00 C ATOM 1633 O THR A 106 -13.945 -16.154 -5.829 1.00 0.00 O ATOM 1634 CB THR A 106 -12.489 -16.595 -2.852 1.00 0.00 C ATOM 1635 OG1 THR A 106 -12.260 -15.248 -2.424 1.00 0.00 O ATOM 1636 CG2 THR A 106 -11.650 -17.548 -2.013 1.00 0.00 C ATOM 0 H THR A 106 -10.179 -16.334 -3.754 1.00 0.00 H new ATOM 0 HA THR A 106 -12.373 -17.756 -4.667 1.00 0.00 H new ATOM 0 HB THR A 106 -13.541 -16.845 -2.716 1.00 0.00 H new ATOM 0 HG1 THR A 106 -11.590 -15.241 -1.709 1.00 0.00 H new ATOM 0 HG21 THR A 106 -11.907 -17.429 -0.961 1.00 0.00 H new ATOM 0 HG22 THR A 106 -11.848 -18.575 -2.321 1.00 0.00 H new ATOM 0 HG23 THR A 106 -10.593 -17.324 -2.155 1.00 0.00 H new ATOM 1644 N GLY A 107 -12.662 -14.475 -5.056 1.00 0.00 N ATOM 1645 CA GLY A 107 -13.406 -13.459 -5.776 1.00 0.00 C ATOM 1646 C GLY A 107 -13.665 -12.225 -4.935 1.00 0.00 C ATOM 1647 O GLY A 107 -14.765 -11.672 -4.956 1.00 0.00 O ATOM 0 H GLY A 107 -11.885 -14.122 -4.497 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -12.854 -13.175 -6.672 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -14.357 -13.876 -6.107 1.00 0.00 H new ATOM 1651 N GLU A 108 -12.651 -11.794 -4.191 1.00 0.00 N ATOM 1652 CA GLU A 108 -12.777 -10.619 -3.337 1.00 0.00 C ATOM 1653 C GLU A 108 -11.833 -9.511 -3.793 1.00 0.00 C ATOM 1654 O GLU A 108 -10.938 -9.738 -4.608 1.00 0.00 O ATOM 1655 CB GLU A 108 -12.484 -10.986 -1.880 1.00 0.00 C ATOM 1656 CG GLU A 108 -13.662 -11.625 -1.165 1.00 0.00 C ATOM 1657 CD GLU A 108 -13.392 -11.859 0.309 1.00 0.00 C ATOM 1658 OE1 GLU A 108 -12.681 -11.034 0.920 1.00 0.00 O ATOM 1659 OE2 GLU A 108 -13.892 -12.867 0.851 1.00 0.00 O ATOM 0 H GLU A 108 -11.734 -12.240 -4.162 1.00 0.00 H new ATOM 0 HA GLU A 108 -13.801 -10.254 -3.414 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -11.637 -11.671 -1.850 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -12.186 -10.087 -1.340 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -14.538 -10.986 -1.273 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -13.900 -12.576 -1.642 1.00 0.00 H new ATOM 1666 N LYS A 109 -12.039 -8.310 -3.263 1.00 0.00 N ATOM 1667 CA LYS A 109 -11.207 -7.165 -3.614 1.00 0.00 C ATOM 1668 C LYS A 109 -10.891 -6.324 -2.381 1.00 0.00 C ATOM 1669 O LYS A 109 -11.726 -6.174 -1.489 1.00 0.00 O ATOM 1670 CB LYS A 109 -11.908 -6.303 -4.666 1.00 0.00 C ATOM 1671 CG LYS A 109 -11.512 -6.642 -6.092 1.00 0.00 C ATOM 1672 CD LYS A 109 -11.529 -5.411 -6.983 1.00 0.00 C ATOM 1673 CE LYS A 109 -12.924 -5.130 -7.519 1.00 0.00 C ATOM 1674 NZ LYS A 109 -13.363 -6.165 -8.495 1.00 0.00 N ATOM 0 H LYS A 109 -12.776 -8.104 -2.588 1.00 0.00 H new ATOM 0 HA LYS A 109 -10.270 -7.541 -4.026 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -12.986 -6.420 -4.560 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -11.681 -5.254 -4.474 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -10.515 -7.083 -6.099 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -12.195 -7.391 -6.492 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -11.174 -4.548 -6.420 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -10.840 -5.554 -7.816 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -13.630 -5.090 -6.690 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -12.939 -4.151 -7.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -14.123 -5.780 -9.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -12.559 -6.440 -9.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -13.714 -6.999 -7.982 1.00 0.00 H new ATOM 1688 N VAL A 110 -9.680 -5.777 -2.338 1.00 0.00 N ATOM 1689 CA VAL A 110 -9.254 -4.949 -1.216 1.00 0.00 C ATOM 1690 C VAL A 110 -8.561 -3.681 -1.700 1.00 0.00 C ATOM 1691 O VAL A 110 -7.825 -3.701 -2.687 1.00 0.00 O ATOM 1692 CB VAL A 110 -8.301 -5.718 -0.281 1.00 0.00 C ATOM 1693 CG1 VAL A 110 -7.862 -4.835 0.877 1.00 0.00 C ATOM 1694 CG2 VAL A 110 -8.964 -6.989 0.228 1.00 0.00 C ATOM 0 H VAL A 110 -8.977 -5.893 -3.068 1.00 0.00 H new ATOM 0 HA VAL A 110 -10.153 -4.678 -0.663 1.00 0.00 H new ATOM 0 HB VAL A 110 -7.414 -6.001 -0.848 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -7.189 -5.395 1.527 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -7.345 -3.957 0.490 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -8.737 -4.519 1.446 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -8.276 -7.519 0.887 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -9.869 -6.732 0.779 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -9.223 -7.628 -0.617 1.00 0.00 H new ATOM 1704 N PHE A 111 -8.800 -2.578 -0.999 1.00 0.00 N ATOM 1705 CA PHE A 111 -8.198 -1.299 -1.358 1.00 0.00 C ATOM 1706 C PHE A 111 -7.319 -0.775 -0.226 1.00 0.00 C ATOM 1707 O PHE A 111 -7.734 -0.739 0.932 1.00 0.00 O ATOM 1708 CB PHE A 111 -9.286 -0.275 -1.689 1.00 0.00 C ATOM 1709 CG PHE A 111 -10.198 -0.708 -2.801 1.00 0.00 C ATOM 1710 CD1 PHE A 111 -9.780 -0.649 -4.121 1.00 0.00 C ATOM 1711 CD2 PHE A 111 -11.474 -1.175 -2.527 1.00 0.00 C ATOM 1712 CE1 PHE A 111 -10.618 -1.047 -5.146 1.00 0.00 C ATOM 1713 CE2 PHE A 111 -12.316 -1.574 -3.548 1.00 0.00 C ATOM 1714 CZ PHE A 111 -11.886 -1.511 -4.859 1.00 0.00 C ATOM 0 H PHE A 111 -9.406 -2.544 -0.179 1.00 0.00 H new ATOM 0 HA PHE A 111 -7.573 -1.454 -2.238 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -9.880 -0.086 -0.795 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -8.814 0.669 -1.963 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -8.789 -0.288 -4.352 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -11.814 -1.228 -1.503 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -10.281 -0.995 -6.171 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -13.308 -1.934 -3.321 1.00 0.00 H new ATOM 0 HZ PHE A 111 -12.541 -1.824 -5.659 1.00 0.00 H new ATOM 1724 N VAL A 112 -6.101 -0.370 -0.571 1.00 0.00 N ATOM 1725 CA VAL A 112 -5.162 0.153 0.415 1.00 0.00 C ATOM 1726 C VAL A 112 -4.484 1.421 -0.091 1.00 0.00 C ATOM 1727 O VAL A 112 -3.562 1.363 -0.905 1.00 0.00 O ATOM 1728 CB VAL A 112 -4.082 -0.887 0.768 1.00 0.00 C ATOM 1729 CG1 VAL A 112 -3.174 -0.362 1.869 1.00 0.00 C ATOM 1730 CG2 VAL A 112 -4.725 -2.203 1.178 1.00 0.00 C ATOM 0 H VAL A 112 -5.741 -0.394 -1.525 1.00 0.00 H new ATOM 0 HA VAL A 112 -5.739 0.385 1.310 1.00 0.00 H new ATOM 0 HB VAL A 112 -3.472 -1.067 -0.117 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -2.418 -1.111 2.105 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -2.687 0.553 1.533 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -3.766 -0.152 2.760 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -3.948 -2.927 1.424 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -5.360 -2.042 2.049 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -5.329 -2.585 0.355 1.00 0.00 H new ATOM 1740 N SER A 113 -4.946 2.568 0.397 1.00 0.00 N ATOM 1741 CA SER A 113 -4.386 3.852 -0.008 1.00 0.00 C ATOM 1742 C SER A 113 -2.870 3.862 0.163 1.00 0.00 C ATOM 1743 O SER A 113 -2.327 3.179 1.032 1.00 0.00 O ATOM 1744 CB SER A 113 -5.010 4.985 0.810 1.00 0.00 C ATOM 1745 OG SER A 113 -6.400 5.091 0.556 1.00 0.00 O ATOM 0 H SER A 113 -5.707 2.634 1.073 1.00 0.00 H new ATOM 0 HA SER A 113 -4.616 4.004 -1.062 1.00 0.00 H new ATOM 0 HB2 SER A 113 -4.844 4.805 1.872 1.00 0.00 H new ATOM 0 HB3 SER A 113 -4.519 5.927 0.566 1.00 0.00 H new ATOM 0 HG SER A 113 -6.776 5.821 1.092 1.00 0.00 H new ATOM 1751 N LEU A 114 -2.193 4.641 -0.674 1.00 0.00 N ATOM 1752 CA LEU A 114 -0.738 4.741 -0.617 1.00 0.00 C ATOM 1753 C LEU A 114 -0.302 6.174 -0.331 1.00 0.00 C ATOM 1754 O LEU A 114 -1.085 7.113 -0.476 1.00 0.00 O ATOM 1755 CB LEU A 114 -0.123 4.261 -1.933 1.00 0.00 C ATOM 1756 CG LEU A 114 -0.518 2.855 -2.385 1.00 0.00 C ATOM 1757 CD1 LEU A 114 -0.006 2.583 -3.791 1.00 0.00 C ATOM 1758 CD2 LEU A 114 0.013 1.813 -1.411 1.00 0.00 C ATOM 0 H LEU A 114 -2.627 5.212 -1.399 1.00 0.00 H new ATOM 0 HA LEU A 114 -0.385 4.105 0.195 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -0.400 4.965 -2.718 1.00 0.00 H new ATOM 0 HB3 LEU A 114 0.962 4.299 -1.839 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.606 2.790 -2.398 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -0.297 1.578 -4.096 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.435 3.310 -4.481 1.00 0.00 H new ATOM 0 HD13 LEU A 114 1.081 2.666 -3.805 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -0.278 0.818 -1.748 1.00 0.00 H new ATOM 0 HD22 LEU A 114 1.100 1.878 -1.366 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -0.403 1.996 -0.420 1.00 0.00 H new ATOM 1770 N TYR A 115 0.953 6.335 0.073 1.00 0.00 N ATOM 1771 CA TYR A 115 1.494 7.654 0.379 1.00 0.00 C ATOM 1772 C TYR A 115 3.011 7.672 0.219 1.00 0.00 C ATOM 1773 O TYR A 115 3.643 6.627 0.067 1.00 0.00 O ATOM 1774 CB TYR A 115 1.116 8.066 1.803 1.00 0.00 C ATOM 1775 CG TYR A 115 -0.040 9.038 1.866 1.00 0.00 C ATOM 1776 CD1 TYR A 115 0.143 10.386 1.582 1.00 0.00 C ATOM 1777 CD2 TYR A 115 -1.317 8.609 2.208 1.00 0.00 C ATOM 1778 CE1 TYR A 115 -0.910 11.277 1.638 1.00 0.00 C ATOM 1779 CE2 TYR A 115 -2.376 9.493 2.266 1.00 0.00 C ATOM 1780 CZ TYR A 115 -2.168 10.826 1.981 1.00 0.00 C ATOM 1781 OH TYR A 115 -3.220 11.711 2.037 1.00 0.00 O ATOM 0 H TYR A 115 1.615 5.569 0.196 1.00 0.00 H new ATOM 0 HA TYR A 115 1.064 8.366 -0.325 1.00 0.00 H new ATOM 0 HB2 TYR A 115 0.861 7.174 2.375 1.00 0.00 H new ATOM 0 HB3 TYR A 115 1.984 8.516 2.285 1.00 0.00 H new ATOM 0 HD1 TYR A 115 1.126 10.743 1.313 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -1.484 7.566 2.432 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -0.750 12.321 1.415 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -3.362 9.142 2.533 1.00 0.00 H new ATOM 0 HH TYR A 115 -4.036 11.233 2.292 1.00 0.00 H new ATOM 1791 N GLY A 116 3.590 8.868 0.254 1.00 0.00 N ATOM 1792 CA GLY A 116 5.028 9.001 0.112 1.00 0.00 C ATOM 1793 C GLY A 116 5.454 10.430 -0.163 1.00 0.00 C ATOM 1794 O GLY A 116 5.940 10.742 -1.249 1.00 0.00 O ATOM 0 H GLY A 116 3.089 9.748 0.378 1.00 0.00 H new ATOM 0 HA2 GLY A 116 5.514 8.649 1.022 1.00 0.00 H new ATOM 0 HA3 GLY A 116 5.371 8.360 -0.701 1.00 0.00 H new ATOM 1798 N ALA A 117 5.269 11.301 0.824 1.00 0.00 N ATOM 1799 CA ALA A 117 5.638 12.704 0.683 1.00 0.00 C ATOM 1800 C ALA A 117 7.080 12.848 0.209 1.00 0.00 C ATOM 1801 O ALA A 117 8.019 12.659 0.981 1.00 0.00 O ATOM 1802 CB ALA A 117 5.438 13.437 2.002 1.00 0.00 C ATOM 0 H ALA A 117 4.866 11.060 1.729 1.00 0.00 H new ATOM 0 HA ALA A 117 4.990 13.151 -0.071 1.00 0.00 H new ATOM 0 HB1 ALA A 117 5.717 14.484 1.883 1.00 0.00 H new ATOM 0 HB2 ALA A 117 4.391 13.372 2.299 1.00 0.00 H new ATOM 0 HB3 ALA A 117 6.062 12.980 2.770 1.00 0.00 H new ATOM 1808 N ALA A 118 7.248 13.182 -1.067 1.00 0.00 N ATOM 1809 CA ALA A 118 8.575 13.352 -1.643 1.00 0.00 C ATOM 1810 C ALA A 118 9.078 14.779 -1.453 1.00 0.00 C ATOM 1811 O ALA A 118 8.309 15.736 -1.554 1.00 0.00 O ATOM 1812 CB ALA A 118 8.560 12.988 -3.121 1.00 0.00 C ATOM 0 H ALA A 118 6.481 13.340 -1.721 1.00 0.00 H new ATOM 0 HA ALA A 118 9.258 12.682 -1.122 1.00 0.00 H new ATOM 0 HB1 ALA A 118 9.558 13.120 -3.538 1.00 0.00 H new ATOM 0 HB2 ALA A 118 8.253 11.949 -3.237 1.00 0.00 H new ATOM 0 HB3 ALA A 118 7.858 13.635 -3.648 1.00 0.00 H new ATOM 1818 N ILE A 119 10.370 14.915 -1.177 1.00 0.00 N ATOM 1819 CA ILE A 119 10.974 16.225 -0.974 1.00 0.00 C ATOM 1820 C ILE A 119 12.199 16.411 -1.863 1.00 0.00 C ATOM 1821 O ILE A 119 12.991 15.487 -2.047 1.00 0.00 O ATOM 1822 CB ILE A 119 11.385 16.434 0.496 1.00 0.00 C ATOM 1823 CG1 ILE A 119 12.252 15.268 0.976 1.00 0.00 C ATOM 1824 CG2 ILE A 119 10.153 16.581 1.375 1.00 0.00 C ATOM 1825 CD1 ILE A 119 13.226 15.649 2.069 1.00 0.00 C ATOM 0 H ILE A 119 11.019 14.133 -1.089 1.00 0.00 H new ATOM 0 HA ILE A 119 10.219 16.964 -1.241 1.00 0.00 H new ATOM 0 HB ILE A 119 11.970 17.351 0.567 1.00 0.00 H new ATOM 0 HG12 ILE A 119 11.605 14.470 1.339 1.00 0.00 H new ATOM 0 HG13 ILE A 119 12.808 14.866 0.129 1.00 0.00 H new ATOM 0 HG21 ILE A 119 10.460 16.728 2.410 1.00 0.00 H new ATOM 0 HG22 ILE A 119 9.570 17.441 1.044 1.00 0.00 H new ATOM 0 HG23 ILE A 119 9.544 15.680 1.302 1.00 0.00 H new ATOM 0 HD11 ILE A 119 13.807 14.774 2.360 1.00 0.00 H new ATOM 0 HD12 ILE A 119 13.898 16.425 1.703 1.00 0.00 H new ATOM 0 HD13 ILE A 119 12.676 16.023 2.933 1.00 0.00 H new ATOM 1837 N ASP A 120 12.348 17.611 -2.412 1.00 0.00 N ATOM 1838 CA ASP A 120 13.478 17.920 -3.281 1.00 0.00 C ATOM 1839 C ASP A 120 14.785 17.428 -2.668 1.00 0.00 C ATOM 1840 O ASP A 120 15.765 17.196 -3.375 1.00 0.00 O ATOM 1841 CB ASP A 120 13.555 19.426 -3.537 1.00 0.00 C ATOM 1842 CG ASP A 120 14.719 19.802 -4.433 1.00 0.00 C ATOM 1843 OD1 ASP A 120 14.555 19.756 -5.670 1.00 0.00 O ATOM 1844 OD2 ASP A 120 15.794 20.142 -3.897 1.00 0.00 O ATOM 0 H ASP A 120 11.700 18.386 -2.271 1.00 0.00 H new ATOM 0 HA ASP A 120 13.326 17.406 -4.230 1.00 0.00 H new ATOM 0 HB2 ASP A 120 12.625 19.762 -3.995 1.00 0.00 H new ATOM 0 HB3 ASP A 120 13.649 19.949 -2.585 1.00 0.00 H new ATOM 1849 N MET A 121 14.792 17.272 -1.348 1.00 0.00 N ATOM 1850 CA MET A 121 15.979 16.808 -0.640 1.00 0.00 C ATOM 1851 C MET A 121 17.126 17.802 -0.791 1.00 0.00 C ATOM 1852 O MET A 121 18.294 17.416 -0.816 1.00 0.00 O ATOM 1853 CB MET A 121 16.406 15.435 -1.163 1.00 0.00 C ATOM 1854 CG MET A 121 15.735 14.275 -0.445 1.00 0.00 C ATOM 1855 SD MET A 121 16.825 13.470 0.745 1.00 0.00 S ATOM 1856 CE MET A 121 16.918 14.723 2.022 1.00 0.00 C ATOM 0 H MET A 121 13.989 17.460 -0.748 1.00 0.00 H new ATOM 0 HA MET A 121 15.731 16.725 0.418 1.00 0.00 H new ATOM 0 HB2 MET A 121 16.178 15.374 -2.227 1.00 0.00 H new ATOM 0 HB3 MET A 121 17.487 15.337 -1.063 1.00 0.00 H new ATOM 0 HG2 MET A 121 14.846 14.637 0.070 1.00 0.00 H new ATOM 0 HG3 MET A 121 15.401 13.542 -1.180 1.00 0.00 H new ATOM 0 HE1 MET A 121 17.173 14.255 2.973 1.00 0.00 H new ATOM 0 HE2 MET A 121 17.683 15.454 1.760 1.00 0.00 H new ATOM 0 HE3 MET A 121 15.954 15.224 2.111 1.00 0.00 H new ATOM 1866 N ASN A 122 16.784 19.082 -0.892 1.00 0.00 N ATOM 1867 CA ASN A 122 17.786 20.131 -1.042 1.00 0.00 C ATOM 1868 C ASN A 122 18.820 20.060 0.078 1.00 0.00 C ATOM 1869 O ASN A 122 18.643 19.330 1.053 1.00 0.00 O ATOM 1870 CB ASN A 122 17.117 21.507 -1.047 1.00 0.00 C ATOM 1871 CG ASN A 122 18.086 22.620 -1.397 1.00 0.00 C ATOM 1872 OD1 ASN A 122 18.768 22.565 -2.421 1.00 0.00 O ATOM 1873 ND2 ASN A 122 18.151 23.637 -0.546 1.00 0.00 N ATOM 0 H ASN A 122 15.821 19.418 -0.873 1.00 0.00 H new ATOM 0 HA ASN A 122 18.296 19.979 -1.993 1.00 0.00 H new ATOM 0 HB2 ASN A 122 16.295 21.506 -1.763 1.00 0.00 H new ATOM 0 HB3 ASN A 122 16.684 21.701 -0.066 1.00 0.00 H new ATOM 0 HD21 ASN A 122 18.785 24.415 -0.728 1.00 0.00 H new ATOM 0 HD22 ASN A 122 17.567 23.640 0.290 1.00 0.00 H new TER 1880 ASN A 122