USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 748 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 81 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc=-0.00892 K(o=-0.0089,f=-0.51) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 180:sc= -5.95! USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -35:sc= 0.0821 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 29:sc= 0.453 USER MOD Single : A 43 TYR OH : rot 121:sc= 0.00516 USER MOD Single : A 45 ASN : amide:sc= -0.227 X(o=-0.23,f=-0.017) USER MOD Single : A 46 ASN : amide:sc= -0.0368 K(o=-0.037,f=-0.83) USER MOD Single : A 53 LYS NZ :NH3+ -165:sc= -0.0258 (180deg=-0.21) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -7.37! C(o=-7.4!,f=-8.5!) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.0655 X(o=-0.065,f=-0.53) USER MOD Single : A 73 GLN : amide:sc= -0.0103 K(o=-0.01,f=-1.4) USER MOD Single : A 75 SER OG : rot 160:sc= 0.0382 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot -80:sc= 1.02 USER MOD Single : A 80 CYS SG : rot -27:sc= 0.653 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 THR OG1 : rot -135:sc= -5.21! USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0.00474 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 28.910 -15.612 6.679 1.00 0.00 N ATOM 2 CA GLY A 1 29.222 -14.299 7.212 1.00 0.00 C ATOM 3 C GLY A 1 30.417 -13.665 6.528 1.00 0.00 C ATOM 4 O GLY A 1 31.563 -13.999 6.829 1.00 0.00 O ATOM 0 H1 GLY A 1 28.086 -16.003 7.179 1.00 0.00 H new ATOM 0 H2 GLY A 1 28.694 -15.533 5.665 1.00 0.00 H new ATOM 0 H3 GLY A 1 29.726 -16.243 6.810 1.00 0.00 H new ATOM 0 HA2 GLY A 1 28.355 -13.649 7.098 1.00 0.00 H new ATOM 0 HA3 GLY A 1 29.420 -14.382 8.281 1.00 0.00 H new ATOM 8 N SER A 2 30.150 -12.747 5.604 1.00 0.00 N ATOM 9 CA SER A 2 31.212 -12.069 4.871 1.00 0.00 C ATOM 10 C SER A 2 30.855 -10.605 4.629 1.00 0.00 C ATOM 11 O SER A 2 29.714 -10.192 4.830 1.00 0.00 O ATOM 12 CB SER A 2 31.469 -12.771 3.537 1.00 0.00 C ATOM 13 OG SER A 2 30.296 -12.804 2.743 1.00 0.00 O ATOM 0 H SER A 2 29.207 -12.456 5.346 1.00 0.00 H new ATOM 0 HA SER A 2 32.119 -12.109 5.474 1.00 0.00 H new ATOM 0 HB2 SER A 2 32.262 -12.254 2.997 1.00 0.00 H new ATOM 0 HB3 SER A 2 31.817 -13.788 3.719 1.00 0.00 H new ATOM 0 HG SER A 2 30.488 -13.256 1.895 1.00 0.00 H new ATOM 19 N SER A 3 31.841 -9.826 4.194 1.00 0.00 N ATOM 20 CA SER A 3 31.634 -8.408 3.927 1.00 0.00 C ATOM 21 C SER A 3 31.406 -8.163 2.439 1.00 0.00 C ATOM 22 O SER A 3 32.049 -8.781 1.591 1.00 0.00 O ATOM 23 CB SER A 3 32.836 -7.595 4.412 1.00 0.00 C ATOM 24 OG SER A 3 32.988 -7.697 5.817 1.00 0.00 O ATOM 0 H SER A 3 32.791 -10.154 4.019 1.00 0.00 H new ATOM 0 HA SER A 3 30.745 -8.087 4.470 1.00 0.00 H new ATOM 0 HB2 SER A 3 33.741 -7.949 3.919 1.00 0.00 H new ATOM 0 HB3 SER A 3 32.708 -6.549 4.132 1.00 0.00 H new ATOM 0 HG SER A 3 33.764 -7.170 6.101 1.00 0.00 H new ATOM 30 N GLY A 4 30.485 -7.256 2.129 1.00 0.00 N ATOM 31 CA GLY A 4 30.187 -6.945 0.743 1.00 0.00 C ATOM 32 C GLY A 4 29.363 -5.681 0.597 1.00 0.00 C ATOM 33 O GLY A 4 29.191 -4.929 1.556 1.00 0.00 O ATOM 0 H GLY A 4 29.940 -6.731 2.813 1.00 0.00 H new ATOM 0 HA2 GLY A 4 31.120 -6.833 0.190 1.00 0.00 H new ATOM 0 HA3 GLY A 4 29.649 -7.780 0.294 1.00 0.00 H new ATOM 37 N SER A 5 28.854 -5.444 -0.608 1.00 0.00 N ATOM 38 CA SER A 5 28.048 -4.259 -0.878 1.00 0.00 C ATOM 39 C SER A 5 26.816 -4.617 -1.703 1.00 0.00 C ATOM 40 O SER A 5 26.624 -5.772 -2.085 1.00 0.00 O ATOM 41 CB SER A 5 28.881 -3.208 -1.614 1.00 0.00 C ATOM 42 OG SER A 5 30.017 -2.833 -0.854 1.00 0.00 O ATOM 0 H SER A 5 28.986 -6.057 -1.413 1.00 0.00 H new ATOM 0 HA SER A 5 27.718 -3.848 0.076 1.00 0.00 H new ATOM 0 HB2 SER A 5 29.199 -3.602 -2.579 1.00 0.00 H new ATOM 0 HB3 SER A 5 28.268 -2.329 -1.815 1.00 0.00 H new ATOM 0 HG SER A 5 30.533 -2.162 -1.347 1.00 0.00 H new ATOM 48 N SER A 6 25.982 -3.618 -1.974 1.00 0.00 N ATOM 49 CA SER A 6 24.765 -3.826 -2.750 1.00 0.00 C ATOM 50 C SER A 6 24.080 -5.128 -2.346 1.00 0.00 C ATOM 51 O SER A 6 23.552 -5.852 -3.189 1.00 0.00 O ATOM 52 CB SER A 6 25.086 -3.848 -4.245 1.00 0.00 C ATOM 53 OG SER A 6 23.975 -3.416 -5.012 1.00 0.00 O ATOM 0 H SER A 6 26.127 -2.656 -1.667 1.00 0.00 H new ATOM 0 HA SER A 6 24.086 -2.999 -2.544 1.00 0.00 H new ATOM 0 HB2 SER A 6 25.943 -3.205 -4.446 1.00 0.00 H new ATOM 0 HB3 SER A 6 25.368 -4.857 -4.545 1.00 0.00 H new ATOM 0 HG SER A 6 24.206 -3.438 -5.964 1.00 0.00 H new ATOM 59 N GLY A 7 24.093 -5.419 -1.049 1.00 0.00 N ATOM 60 CA GLY A 7 23.471 -6.634 -0.555 1.00 0.00 C ATOM 61 C GLY A 7 21.957 -6.560 -0.579 1.00 0.00 C ATOM 62 O GLY A 7 21.366 -5.692 -1.222 1.00 0.00 O ATOM 0 H GLY A 7 24.523 -4.835 -0.331 1.00 0.00 H new ATOM 0 HA2 GLY A 7 23.800 -7.479 -1.160 1.00 0.00 H new ATOM 0 HA3 GLY A 7 23.807 -6.822 0.465 1.00 0.00 H new ATOM 66 N PRO A 8 21.304 -7.489 0.135 1.00 0.00 N ATOM 67 CA PRO A 8 19.841 -7.548 0.209 1.00 0.00 C ATOM 68 C PRO A 8 19.254 -6.385 1.002 1.00 0.00 C ATOM 69 O PRO A 8 19.986 -5.563 1.552 1.00 0.00 O ATOM 70 CB PRO A 8 19.575 -8.873 0.927 1.00 0.00 C ATOM 71 CG PRO A 8 20.807 -9.125 1.727 1.00 0.00 C ATOM 72 CD PRO A 8 21.944 -8.554 0.926 1.00 0.00 C ATOM 0 HA PRO A 8 19.380 -7.482 -0.776 1.00 0.00 H new ATOM 0 HB2 PRO A 8 18.695 -8.807 1.566 1.00 0.00 H new ATOM 0 HB3 PRO A 8 19.393 -9.679 0.216 1.00 0.00 H new ATOM 0 HG2 PRO A 8 20.741 -8.649 2.705 1.00 0.00 H new ATOM 0 HG3 PRO A 8 20.949 -10.192 1.900 1.00 0.00 H new ATOM 0 HD2 PRO A 8 22.730 -8.159 1.569 1.00 0.00 H new ATOM 0 HD3 PRO A 8 22.404 -9.308 0.287 1.00 0.00 H new ATOM 80 N VAL A 9 17.927 -6.323 1.056 1.00 0.00 N ATOM 81 CA VAL A 9 17.241 -5.262 1.783 1.00 0.00 C ATOM 82 C VAL A 9 16.243 -5.836 2.782 1.00 0.00 C ATOM 83 O VAL A 9 15.821 -6.987 2.662 1.00 0.00 O ATOM 84 CB VAL A 9 16.501 -4.311 0.823 1.00 0.00 C ATOM 85 CG1 VAL A 9 16.149 -3.009 1.526 1.00 0.00 C ATOM 86 CG2 VAL A 9 17.341 -4.047 -0.417 1.00 0.00 C ATOM 0 H VAL A 9 17.306 -6.995 0.605 1.00 0.00 H new ATOM 0 HA VAL A 9 18.006 -4.701 2.320 1.00 0.00 H new ATOM 0 HB VAL A 9 15.573 -4.789 0.510 1.00 0.00 H new ATOM 0 HG11 VAL A 9 15.627 -2.350 0.832 1.00 0.00 H new ATOM 0 HG12 VAL A 9 15.506 -3.219 2.380 1.00 0.00 H new ATOM 0 HG13 VAL A 9 17.062 -2.523 1.870 1.00 0.00 H new ATOM 0 HG21 VAL A 9 16.803 -3.373 -1.084 1.00 0.00 H new ATOM 0 HG22 VAL A 9 18.287 -3.590 -0.125 1.00 0.00 H new ATOM 0 HG23 VAL A 9 17.536 -4.988 -0.931 1.00 0.00 H new ATOM 96 N ARG A 10 15.868 -5.027 3.768 1.00 0.00 N ATOM 97 CA ARG A 10 14.919 -5.455 4.788 1.00 0.00 C ATOM 98 C ARG A 10 13.851 -4.390 5.019 1.00 0.00 C ATOM 99 O ARG A 10 14.128 -3.193 4.948 1.00 0.00 O ATOM 100 CB ARG A 10 15.648 -5.754 6.100 1.00 0.00 C ATOM 101 CG ARG A 10 14.741 -5.738 7.319 1.00 0.00 C ATOM 102 CD ARG A 10 15.295 -6.605 8.438 1.00 0.00 C ATOM 103 NE ARG A 10 14.236 -7.171 9.269 1.00 0.00 N ATOM 104 CZ ARG A 10 14.377 -8.278 9.988 1.00 0.00 C ATOM 105 NH1 ARG A 10 15.528 -8.936 9.978 1.00 0.00 N ATOM 106 NH2 ARG A 10 13.367 -8.730 10.719 1.00 0.00 N ATOM 0 H ARG A 10 16.207 -4.072 3.882 1.00 0.00 H new ATOM 0 HA ARG A 10 14.431 -6.364 4.436 1.00 0.00 H new ATOM 0 HB2 ARG A 10 16.125 -6.731 6.026 1.00 0.00 H new ATOM 0 HB3 ARG A 10 16.443 -5.021 6.239 1.00 0.00 H new ATOM 0 HG2 ARG A 10 14.625 -4.714 7.674 1.00 0.00 H new ATOM 0 HG3 ARG A 10 13.749 -6.093 7.040 1.00 0.00 H new ATOM 0 HD2 ARG A 10 15.890 -7.412 8.010 1.00 0.00 H new ATOM 0 HD3 ARG A 10 15.964 -6.010 9.060 1.00 0.00 H new ATOM 0 HE ARG A 10 13.338 -6.689 9.299 1.00 0.00 H new ATOM 0 HH11 ARG A 10 16.307 -8.592 9.417 1.00 0.00 H new ATOM 0 HH12 ARG A 10 15.634 -9.786 10.531 1.00 0.00 H new ATOM 0 HH21 ARG A 10 12.480 -8.227 10.729 1.00 0.00 H new ATOM 0 HH22 ARG A 10 13.477 -9.581 11.271 1.00 0.00 H new ATOM 120 N PHE A 11 12.630 -4.834 5.296 1.00 0.00 N ATOM 121 CA PHE A 11 11.520 -3.919 5.536 1.00 0.00 C ATOM 122 C PHE A 11 11.656 -3.243 6.897 1.00 0.00 C ATOM 123 O PHE A 11 11.060 -3.680 7.880 1.00 0.00 O ATOM 124 CB PHE A 11 10.188 -4.668 5.457 1.00 0.00 C ATOM 125 CG PHE A 11 9.595 -4.694 4.078 1.00 0.00 C ATOM 126 CD1 PHE A 11 8.951 -3.579 3.565 1.00 0.00 C ATOM 127 CD2 PHE A 11 9.681 -5.832 3.293 1.00 0.00 C ATOM 128 CE1 PHE A 11 8.404 -3.600 2.296 1.00 0.00 C ATOM 129 CE2 PHE A 11 9.136 -5.859 2.023 1.00 0.00 C ATOM 130 CZ PHE A 11 8.497 -4.741 1.524 1.00 0.00 C ATOM 0 H PHE A 11 12.384 -5.822 5.360 1.00 0.00 H new ATOM 0 HA PHE A 11 11.543 -3.150 4.764 1.00 0.00 H new ATOM 0 HB2 PHE A 11 10.336 -5.692 5.800 1.00 0.00 H new ATOM 0 HB3 PHE A 11 9.478 -4.203 6.140 1.00 0.00 H new ATOM 0 HD1 PHE A 11 8.876 -2.683 4.164 1.00 0.00 H new ATOM 0 HD2 PHE A 11 10.180 -6.709 3.678 1.00 0.00 H new ATOM 0 HE1 PHE A 11 7.904 -2.725 1.908 1.00 0.00 H new ATOM 0 HE2 PHE A 11 9.210 -6.753 1.422 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.071 -4.759 0.532 1.00 0.00 H new ATOM 140 N GLN A 12 12.447 -2.176 6.944 1.00 0.00 N ATOM 141 CA GLN A 12 12.664 -1.440 8.184 1.00 0.00 C ATOM 142 C GLN A 12 11.340 -0.961 8.771 1.00 0.00 C ATOM 143 O GLN A 12 11.044 -1.208 9.939 1.00 0.00 O ATOM 144 CB GLN A 12 13.588 -0.246 7.939 1.00 0.00 C ATOM 145 CG GLN A 12 13.751 0.656 9.151 1.00 0.00 C ATOM 146 CD GLN A 12 14.411 -0.050 10.319 1.00 0.00 C ATOM 147 OE1 GLN A 12 15.272 -0.910 10.134 1.00 0.00 O ATOM 148 NE2 GLN A 12 14.008 0.310 11.533 1.00 0.00 N ATOM 0 H GLN A 12 12.948 -1.802 6.138 1.00 0.00 H new ATOM 0 HA GLN A 12 13.136 -2.114 8.899 1.00 0.00 H new ATOM 0 HB2 GLN A 12 14.568 -0.612 7.635 1.00 0.00 H new ATOM 0 HB3 GLN A 12 13.196 0.342 7.109 1.00 0.00 H new ATOM 0 HG2 GLN A 12 14.346 1.526 8.874 1.00 0.00 H new ATOM 0 HG3 GLN A 12 12.772 1.024 9.460 1.00 0.00 H new ATOM 0 HE21 GLN A 12 13.291 1.028 11.640 1.00 0.00 H new ATOM 0 HE22 GLN A 12 14.415 -0.131 12.357 1.00 0.00 H new ATOM 157 N GLU A 13 10.549 -0.275 7.952 1.00 0.00 N ATOM 158 CA GLU A 13 9.257 0.239 8.392 1.00 0.00 C ATOM 159 C GLU A 13 8.146 -0.194 7.439 1.00 0.00 C ATOM 160 O GLU A 13 7.395 0.636 6.927 1.00 0.00 O ATOM 161 CB GLU A 13 9.297 1.766 8.487 1.00 0.00 C ATOM 162 CG GLU A 13 8.350 2.335 9.531 1.00 0.00 C ATOM 163 CD GLU A 13 8.048 3.804 9.304 1.00 0.00 C ATOM 164 OE1 GLU A 13 7.615 4.156 8.187 1.00 0.00 O ATOM 165 OE2 GLU A 13 8.245 4.601 10.245 1.00 0.00 O ATOM 0 H GLU A 13 10.780 -0.062 6.981 1.00 0.00 H new ATOM 0 HA GLU A 13 9.047 -0.174 9.379 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.314 2.081 8.721 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.048 2.189 7.514 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.418 1.770 9.518 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.787 2.206 10.521 1.00 0.00 H new ATOM 172 N ALA A 14 8.049 -1.498 7.207 1.00 0.00 N ATOM 173 CA ALA A 14 7.030 -2.042 6.317 1.00 0.00 C ATOM 174 C ALA A 14 5.674 -1.393 6.574 1.00 0.00 C ATOM 175 O ALA A 14 5.493 -0.681 7.563 1.00 0.00 O ATOM 176 CB ALA A 14 6.936 -3.551 6.484 1.00 0.00 C ATOM 0 H ALA A 14 8.663 -2.198 7.623 1.00 0.00 H new ATOM 0 HA ALA A 14 7.321 -1.819 5.291 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.172 -3.944 5.814 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.898 -4.004 6.243 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.671 -3.787 7.515 1.00 0.00 H new ATOM 182 N LEU A 15 4.725 -1.643 5.680 1.00 0.00 N ATOM 183 CA LEU A 15 3.385 -1.083 5.809 1.00 0.00 C ATOM 184 C LEU A 15 2.841 -1.291 7.219 1.00 0.00 C ATOM 185 O LEU A 15 3.379 -2.084 7.993 1.00 0.00 O ATOM 186 CB LEU A 15 2.442 -1.722 4.788 1.00 0.00 C ATOM 187 CG LEU A 15 2.832 -1.555 3.319 1.00 0.00 C ATOM 188 CD1 LEU A 15 2.035 -2.509 2.443 1.00 0.00 C ATOM 189 CD2 LEU A 15 2.621 -0.115 2.871 1.00 0.00 C ATOM 0 H LEU A 15 4.859 -2.230 4.857 1.00 0.00 H new ATOM 0 HA LEU A 15 3.447 -0.012 5.617 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.371 -2.788 5.006 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.447 -1.301 4.929 1.00 0.00 H new ATOM 0 HG LEU A 15 3.890 -1.796 3.215 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.326 -2.376 1.401 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.236 -3.536 2.747 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.971 -2.300 2.552 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.904 -0.015 1.823 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.571 0.153 2.991 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.237 0.549 3.478 1.00 0.00 H new ATOM 201 N LYS A 16 1.771 -0.575 7.547 1.00 0.00 N ATOM 202 CA LYS A 16 1.151 -0.683 8.863 1.00 0.00 C ATOM 203 C LYS A 16 -0.367 -0.587 8.758 1.00 0.00 C ATOM 204 O LYS A 16 -0.908 -0.290 7.692 1.00 0.00 O ATOM 205 CB LYS A 16 1.680 0.413 9.790 1.00 0.00 C ATOM 206 CG LYS A 16 3.195 0.440 9.897 1.00 0.00 C ATOM 207 CD LYS A 16 3.813 1.341 8.841 1.00 0.00 C ATOM 208 CE LYS A 16 3.585 2.811 9.159 1.00 0.00 C ATOM 209 NZ LYS A 16 4.155 3.701 8.110 1.00 0.00 N ATOM 0 H LYS A 16 1.315 0.087 6.919 1.00 0.00 H new ATOM 0 HA LYS A 16 1.408 -1.657 9.280 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.332 1.381 9.430 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.256 0.272 10.784 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.484 0.788 10.888 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.586 -0.571 9.788 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.883 1.144 8.774 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.384 1.108 7.866 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.516 3.000 9.254 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.037 3.049 10.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.979 4.694 8.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.180 3.539 8.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.705 3.492 7.196 1.00 0.00 H new ATOM 223 N ASP A 17 -1.049 -0.836 9.870 1.00 0.00 N ATOM 224 CA ASP A 17 -2.506 -0.775 9.904 1.00 0.00 C ATOM 225 C ASP A 17 -2.993 0.662 9.741 1.00 0.00 C ATOM 226 O ASP A 17 -2.566 1.560 10.468 1.00 0.00 O ATOM 227 CB ASP A 17 -3.032 -1.358 11.217 1.00 0.00 C ATOM 228 CG ASP A 17 -2.375 -0.734 12.432 1.00 0.00 C ATOM 229 OD1 ASP A 17 -1.183 -1.018 12.675 1.00 0.00 O ATOM 230 OD2 ASP A 17 -3.054 0.039 13.141 1.00 0.00 O ATOM 0 H ASP A 17 -0.617 -1.082 10.760 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.889 -1.367 9.073 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -4.110 -1.206 11.272 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.861 -2.434 11.228 1.00 0.00 H new ATOM 235 N LEU A 18 -3.887 0.872 8.782 1.00 0.00 N ATOM 236 CA LEU A 18 -4.432 2.200 8.521 1.00 0.00 C ATOM 237 C LEU A 18 -5.957 2.175 8.532 1.00 0.00 C ATOM 238 O LEU A 18 -6.571 1.122 8.360 1.00 0.00 O ATOM 239 CB LEU A 18 -3.929 2.725 7.175 1.00 0.00 C ATOM 240 CG LEU A 18 -2.434 3.034 7.092 1.00 0.00 C ATOM 241 CD1 LEU A 18 -1.927 2.838 5.672 1.00 0.00 C ATOM 242 CD2 LEU A 18 -2.156 4.453 7.569 1.00 0.00 C ATOM 0 H LEU A 18 -4.250 0.140 8.172 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.092 2.867 9.314 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.171 1.990 6.407 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.481 3.633 6.932 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.902 2.342 7.744 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.861 3.062 5.632 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.092 1.805 5.366 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.464 3.506 4.998 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.087 4.656 7.503 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.699 5.160 6.942 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.483 4.560 8.603 1.00 0.00 H new ATOM 254 N GLU A 19 -6.562 3.341 8.735 1.00 0.00 N ATOM 255 CA GLU A 19 -8.016 3.452 8.766 1.00 0.00 C ATOM 256 C GLU A 19 -8.486 4.673 7.981 1.00 0.00 C ATOM 257 O GLU A 19 -7.927 5.762 8.113 1.00 0.00 O ATOM 258 CB GLU A 19 -8.511 3.539 10.211 1.00 0.00 C ATOM 259 CG GLU A 19 -10.010 3.761 10.328 1.00 0.00 C ATOM 260 CD GLU A 19 -10.414 5.191 10.024 1.00 0.00 C ATOM 261 OE1 GLU A 19 -9.741 6.117 10.523 1.00 0.00 O ATOM 262 OE2 GLU A 19 -11.403 5.383 9.287 1.00 0.00 O ATOM 0 H GLU A 19 -6.068 4.222 8.880 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.433 2.560 8.299 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.246 2.619 10.733 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.991 4.353 10.716 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -10.528 3.088 9.644 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.334 3.502 11.336 1.00 0.00 H new ATOM 269 N VAL A 20 -9.516 4.483 7.163 1.00 0.00 N ATOM 270 CA VAL A 20 -10.062 5.567 6.356 1.00 0.00 C ATOM 271 C VAL A 20 -11.572 5.426 6.195 1.00 0.00 C ATOM 272 O VAL A 20 -12.111 4.319 6.242 1.00 0.00 O ATOM 273 CB VAL A 20 -9.410 5.613 4.962 1.00 0.00 C ATOM 274 CG1 VAL A 20 -10.039 6.708 4.113 1.00 0.00 C ATOM 275 CG2 VAL A 20 -7.908 5.819 5.083 1.00 0.00 C ATOM 0 H VAL A 20 -9.989 3.588 7.042 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.841 6.495 6.883 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.585 4.657 4.467 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.565 6.725 3.132 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.105 6.512 3.998 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.898 7.673 4.601 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.464 5.849 4.088 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.710 6.759 5.597 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.472 4.996 5.650 1.00 0.00 H new ATOM 285 N LEU A 21 -12.249 6.553 6.004 1.00 0.00 N ATOM 286 CA LEU A 21 -13.698 6.555 5.835 1.00 0.00 C ATOM 287 C LEU A 21 -14.081 6.152 4.414 1.00 0.00 C ATOM 288 O LEU A 21 -13.569 6.708 3.443 1.00 0.00 O ATOM 289 CB LEU A 21 -14.266 7.939 6.155 1.00 0.00 C ATOM 290 CG LEU A 21 -15.710 7.972 6.657 1.00 0.00 C ATOM 291 CD1 LEU A 21 -16.636 7.288 5.663 1.00 0.00 C ATOM 292 CD2 LEU A 21 -15.814 7.314 8.025 1.00 0.00 C ATOM 0 H LEU A 21 -11.818 7.477 5.962 1.00 0.00 H new ATOM 0 HA LEU A 21 -14.121 5.826 6.526 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -13.630 8.406 6.907 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -14.200 8.553 5.257 1.00 0.00 H new ATOM 0 HG LEU A 21 -16.018 9.013 6.752 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -17.659 7.321 6.037 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -16.583 7.802 4.703 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -16.330 6.250 5.535 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -16.849 7.347 8.367 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -15.487 6.276 7.955 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -15.181 7.847 8.734 1.00 0.00 H new ATOM 304 N GLU A 22 -14.985 5.184 4.303 1.00 0.00 N ATOM 305 CA GLU A 22 -15.436 4.708 3.001 1.00 0.00 C ATOM 306 C GLU A 22 -15.647 5.873 2.038 1.00 0.00 C ATOM 307 O GLU A 22 -15.912 6.999 2.458 1.00 0.00 O ATOM 308 CB GLU A 22 -16.735 3.912 3.146 1.00 0.00 C ATOM 309 CG GLU A 22 -17.505 3.760 1.845 1.00 0.00 C ATOM 310 CD GLU A 22 -18.890 3.179 2.052 1.00 0.00 C ATOM 311 OE1 GLU A 22 -19.009 2.177 2.787 1.00 0.00 O ATOM 312 OE2 GLU A 22 -19.855 3.726 1.478 1.00 0.00 O ATOM 0 H GLU A 22 -15.419 4.715 5.098 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.662 4.057 2.594 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -16.503 2.922 3.538 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -17.373 4.404 3.880 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -17.592 4.734 1.363 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -16.943 3.117 1.167 1.00 0.00 H new ATOM 319 N GLY A 23 -15.526 5.594 0.744 1.00 0.00 N ATOM 320 CA GLY A 23 -15.705 6.629 -0.258 1.00 0.00 C ATOM 321 C GLY A 23 -14.525 7.577 -0.330 1.00 0.00 C ATOM 322 O GLY A 23 -14.572 8.587 -1.031 1.00 0.00 O ATOM 0 H GLY A 23 -15.307 4.670 0.371 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.854 6.165 -1.233 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.609 7.195 -0.033 1.00 0.00 H new ATOM 326 N GLY A 24 -13.461 7.252 0.400 1.00 0.00 N ATOM 327 CA GLY A 24 -12.279 8.094 0.403 1.00 0.00 C ATOM 328 C GLY A 24 -11.087 7.422 -0.249 1.00 0.00 C ATOM 329 O GLY A 24 -11.242 6.649 -1.193 1.00 0.00 O ATOM 0 H GLY A 24 -13.397 6.421 0.989 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.498 9.025 -0.120 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -12.027 8.357 1.430 1.00 0.00 H new ATOM 333 N ALA A 25 -9.894 7.719 0.255 1.00 0.00 N ATOM 334 CA ALA A 25 -8.671 7.138 -0.285 1.00 0.00 C ATOM 335 C ALA A 25 -7.719 6.726 0.833 1.00 0.00 C ATOM 336 O ALA A 25 -7.728 7.310 1.916 1.00 0.00 O ATOM 337 CB ALA A 25 -7.989 8.121 -1.225 1.00 0.00 C ATOM 0 H ALA A 25 -9.748 8.358 1.036 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.941 6.243 -0.846 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.077 7.673 -1.620 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.661 8.363 -2.048 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.739 9.032 -0.681 1.00 0.00 H new ATOM 343 N ALA A 26 -6.899 5.715 0.564 1.00 0.00 N ATOM 344 CA ALA A 26 -5.940 5.226 1.547 1.00 0.00 C ATOM 345 C ALA A 26 -4.511 5.553 1.129 1.00 0.00 C ATOM 346 O ALA A 26 -4.160 5.464 -0.048 1.00 0.00 O ATOM 347 CB ALA A 26 -6.105 3.726 1.743 1.00 0.00 C ATOM 0 H ALA A 26 -6.880 5.219 -0.327 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.138 5.729 2.494 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.383 3.374 2.480 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.115 3.514 2.095 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.936 3.214 0.795 1.00 0.00 H new ATOM 353 N THR A 27 -3.688 5.934 2.101 1.00 0.00 N ATOM 354 CA THR A 27 -2.297 6.277 1.835 1.00 0.00 C ATOM 355 C THR A 27 -1.348 5.335 2.567 1.00 0.00 C ATOM 356 O THR A 27 -1.278 5.341 3.797 1.00 0.00 O ATOM 357 CB THR A 27 -1.985 7.727 2.251 1.00 0.00 C ATOM 358 OG1 THR A 27 -2.965 8.615 1.703 1.00 0.00 O ATOM 359 CG2 THR A 27 -0.599 8.139 1.780 1.00 0.00 C ATOM 0 H THR A 27 -3.961 6.013 3.080 1.00 0.00 H new ATOM 0 HA THR A 27 -2.148 6.176 0.760 1.00 0.00 H new ATOM 0 HB THR A 27 -2.012 7.784 3.339 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.761 9.535 1.973 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.401 9.167 2.085 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.147 7.479 2.223 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.548 8.067 0.694 1.00 0.00 H new ATOM 367 N LEU A 28 -0.620 4.526 1.805 1.00 0.00 N ATOM 368 CA LEU A 28 0.327 3.578 2.382 1.00 0.00 C ATOM 369 C LEU A 28 1.757 3.920 1.976 1.00 0.00 C ATOM 370 O LEU A 28 2.058 4.066 0.792 1.00 0.00 O ATOM 371 CB LEU A 28 -0.015 2.154 1.940 1.00 0.00 C ATOM 372 CG LEU A 28 -1.340 1.591 2.456 1.00 0.00 C ATOM 373 CD1 LEU A 28 -2.475 1.948 1.510 1.00 0.00 C ATOM 374 CD2 LEU A 28 -1.245 0.082 2.632 1.00 0.00 C ATOM 0 H LEU A 28 -0.667 4.507 0.786 1.00 0.00 H new ATOM 0 HA LEU A 28 0.253 3.643 3.468 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.032 2.127 0.850 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.788 1.492 2.263 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.550 2.038 3.428 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.410 1.539 1.893 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.557 3.032 1.433 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.273 1.529 0.524 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.196 -0.302 3.000 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.012 -0.382 1.674 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.458 -0.152 3.349 1.00 0.00 H new ATOM 386 N ARG A 29 2.634 4.043 2.967 1.00 0.00 N ATOM 387 CA ARG A 29 4.033 4.367 2.712 1.00 0.00 C ATOM 388 C ARG A 29 4.950 3.585 3.648 1.00 0.00 C ATOM 389 O ARG A 29 4.725 3.538 4.858 1.00 0.00 O ATOM 390 CB ARG A 29 4.271 5.868 2.884 1.00 0.00 C ATOM 391 CG ARG A 29 3.566 6.462 4.093 1.00 0.00 C ATOM 392 CD ARG A 29 4.257 7.728 4.574 1.00 0.00 C ATOM 393 NE ARG A 29 3.984 8.000 5.982 1.00 0.00 N ATOM 394 CZ ARG A 29 4.249 9.160 6.572 1.00 0.00 C ATOM 395 NH1 ARG A 29 4.791 10.151 5.879 1.00 0.00 N ATOM 396 NH2 ARG A 29 3.971 9.330 7.859 1.00 0.00 N ATOM 0 H ARG A 29 2.401 3.923 3.953 1.00 0.00 H new ATOM 0 HA ARG A 29 4.264 4.086 1.685 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.342 6.050 2.973 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.933 6.386 1.986 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.530 6.686 3.838 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.544 5.729 4.899 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.333 7.633 4.425 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.926 8.573 3.971 1.00 0.00 H new ATOM 0 HE ARG A 29 3.567 7.258 6.544 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.006 10.024 4.890 1.00 0.00 H new ATOM 0 HH12 ARG A 29 4.993 11.041 6.335 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.554 8.569 8.395 1.00 0.00 H new ATOM 0 HH22 ARG A 29 4.175 10.221 8.311 1.00 0.00 H new ATOM 410 N CYS A 30 5.984 2.973 3.080 1.00 0.00 N ATOM 411 CA CYS A 30 6.935 2.192 3.863 1.00 0.00 C ATOM 412 C CYS A 30 8.348 2.745 3.711 1.00 0.00 C ATOM 413 O CYS A 30 8.568 3.732 3.008 1.00 0.00 O ATOM 414 CB CYS A 30 6.899 0.725 3.432 1.00 0.00 C ATOM 415 SG CYS A 30 6.993 0.479 1.643 1.00 0.00 S ATOM 0 H CYS A 30 6.185 3.003 2.080 1.00 0.00 H new ATOM 0 HA CYS A 30 6.648 2.262 4.912 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.728 0.198 3.905 1.00 0.00 H new ATOM 0 HB3 CYS A 30 5.980 0.271 3.803 1.00 0.00 H new ATOM 0 HG CYS A 30 6.958 -0.793 1.377 1.00 0.00 H new ATOM 421 N VAL A 31 9.304 2.104 4.376 1.00 0.00 N ATOM 422 CA VAL A 31 10.696 2.532 4.316 1.00 0.00 C ATOM 423 C VAL A 31 11.642 1.339 4.395 1.00 0.00 C ATOM 424 O VAL A 31 11.665 0.616 5.392 1.00 0.00 O ATOM 425 CB VAL A 31 11.031 3.515 5.454 1.00 0.00 C ATOM 426 CG1 VAL A 31 12.510 3.869 5.435 1.00 0.00 C ATOM 427 CG2 VAL A 31 10.173 4.767 5.346 1.00 0.00 C ATOM 0 H VAL A 31 9.139 1.286 4.963 1.00 0.00 H new ATOM 0 HA VAL A 31 10.831 3.036 3.359 1.00 0.00 H new ATOM 0 HB VAL A 31 10.810 3.032 6.406 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.728 4.564 6.246 1.00 0.00 H new ATOM 0 HG12 VAL A 31 13.103 2.963 5.564 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.761 4.334 4.481 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.423 5.450 6.158 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.361 5.255 4.390 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.120 4.493 5.413 1.00 0.00 H new ATOM 437 N LEU A 32 12.420 1.138 3.338 1.00 0.00 N ATOM 438 CA LEU A 32 13.370 0.031 3.286 1.00 0.00 C ATOM 439 C LEU A 32 14.696 0.422 3.931 1.00 0.00 C ATOM 440 O LEU A 32 15.018 1.604 4.044 1.00 0.00 O ATOM 441 CB LEU A 32 13.601 -0.401 1.838 1.00 0.00 C ATOM 442 CG LEU A 32 12.350 -0.761 1.036 1.00 0.00 C ATOM 443 CD1 LEU A 32 11.596 -1.899 1.706 1.00 0.00 C ATOM 444 CD2 LEU A 32 11.450 0.456 0.878 1.00 0.00 C ATOM 0 H LEU A 32 12.412 1.727 2.505 1.00 0.00 H new ATOM 0 HA LEU A 32 12.948 -0.805 3.844 1.00 0.00 H new ATOM 0 HB2 LEU A 32 14.122 0.404 1.319 1.00 0.00 H new ATOM 0 HB3 LEU A 32 14.268 -1.263 1.839 1.00 0.00 H new ATOM 0 HG LEU A 32 12.660 -1.091 0.044 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.709 -2.142 1.121 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.241 -2.776 1.768 1.00 0.00 H new ATOM 0 HD13 LEU A 32 11.297 -1.596 2.710 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.564 0.182 0.305 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.148 0.816 1.862 1.00 0.00 H new ATOM 0 HD23 LEU A 32 11.992 1.244 0.354 1.00 0.00 H new ATOM 456 N SER A 33 15.463 -0.580 4.349 1.00 0.00 N ATOM 457 CA SER A 33 16.754 -0.342 4.983 1.00 0.00 C ATOM 458 C SER A 33 17.682 0.433 4.052 1.00 0.00 C ATOM 459 O SER A 33 18.658 1.039 4.493 1.00 0.00 O ATOM 460 CB SER A 33 17.404 -1.669 5.381 1.00 0.00 C ATOM 461 OG SER A 33 18.532 -1.455 6.211 1.00 0.00 O ATOM 0 H SER A 33 15.212 -1.565 4.260 1.00 0.00 H new ATOM 0 HA SER A 33 16.586 0.255 5.879 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.677 -2.291 5.903 1.00 0.00 H new ATOM 0 HB3 SER A 33 17.705 -2.213 4.486 1.00 0.00 H new ATOM 0 HG SER A 33 18.929 -2.318 6.453 1.00 0.00 H new ATOM 467 N SER A 34 17.370 0.407 2.760 1.00 0.00 N ATOM 468 CA SER A 34 18.177 1.103 1.764 1.00 0.00 C ATOM 469 C SER A 34 17.377 1.339 0.486 1.00 0.00 C ATOM 470 O SER A 34 16.965 0.394 -0.186 1.00 0.00 O ATOM 471 CB SER A 34 19.439 0.299 1.448 1.00 0.00 C ATOM 472 OG SER A 34 20.019 -0.226 2.630 1.00 0.00 O ATOM 0 H SER A 34 16.564 -0.088 2.378 1.00 0.00 H new ATOM 0 HA SER A 34 18.465 2.070 2.176 1.00 0.00 H new ATOM 0 HB2 SER A 34 19.194 -0.516 0.767 1.00 0.00 H new ATOM 0 HB3 SER A 34 20.161 0.936 0.937 1.00 0.00 H new ATOM 0 HG SER A 34 19.892 0.408 3.366 1.00 0.00 H new ATOM 478 N VAL A 35 17.162 2.609 0.157 1.00 0.00 N ATOM 479 CA VAL A 35 16.413 2.972 -1.040 1.00 0.00 C ATOM 480 C VAL A 35 16.746 2.040 -2.200 1.00 0.00 C ATOM 481 O VAL A 35 17.912 1.742 -2.454 1.00 0.00 O ATOM 482 CB VAL A 35 16.702 4.425 -1.463 1.00 0.00 C ATOM 483 CG1 VAL A 35 18.195 4.711 -1.407 1.00 0.00 C ATOM 484 CG2 VAL A 35 16.152 4.692 -2.856 1.00 0.00 C ATOM 0 H VAL A 35 17.496 3.403 0.703 1.00 0.00 H new ATOM 0 HA VAL A 35 15.355 2.877 -0.794 1.00 0.00 H new ATOM 0 HB VAL A 35 16.202 5.095 -0.764 1.00 0.00 H new ATOM 0 HG11 VAL A 35 18.380 5.742 -1.709 1.00 0.00 H new ATOM 0 HG12 VAL A 35 18.556 4.561 -0.390 1.00 0.00 H new ATOM 0 HG13 VAL A 35 18.720 4.035 -2.082 1.00 0.00 H new ATOM 0 HG21 VAL A 35 16.365 5.723 -3.140 1.00 0.00 H new ATOM 0 HG22 VAL A 35 16.623 4.015 -3.569 1.00 0.00 H new ATOM 0 HG23 VAL A 35 15.074 4.530 -2.859 1.00 0.00 H new ATOM 494 N ALA A 36 15.713 1.584 -2.900 1.00 0.00 N ATOM 495 CA ALA A 36 15.896 0.688 -4.035 1.00 0.00 C ATOM 496 C ALA A 36 14.677 0.707 -4.952 1.00 0.00 C ATOM 497 O ALA A 36 13.540 0.781 -4.486 1.00 0.00 O ATOM 498 CB ALA A 36 16.172 -0.728 -3.551 1.00 0.00 C ATOM 0 H ALA A 36 14.741 1.820 -2.701 1.00 0.00 H new ATOM 0 HA ALA A 36 16.755 1.039 -4.608 1.00 0.00 H new ATOM 0 HB1 ALA A 36 16.307 -1.386 -4.409 1.00 0.00 H new ATOM 0 HB2 ALA A 36 17.077 -0.735 -2.943 1.00 0.00 H new ATOM 0 HB3 ALA A 36 15.331 -1.079 -2.953 1.00 0.00 H new ATOM 504 N ALA A 37 14.922 0.642 -6.256 1.00 0.00 N ATOM 505 CA ALA A 37 13.844 0.650 -7.237 1.00 0.00 C ATOM 506 C ALA A 37 14.336 0.166 -8.597 1.00 0.00 C ATOM 507 O ALA A 37 15.536 0.052 -8.846 1.00 0.00 O ATOM 508 CB ALA A 37 13.249 2.045 -7.355 1.00 0.00 C ATOM 0 H ALA A 37 15.858 0.583 -6.658 1.00 0.00 H new ATOM 0 HA ALA A 37 13.069 -0.036 -6.895 1.00 0.00 H new ATOM 0 HB1 ALA A 37 12.445 2.037 -8.091 1.00 0.00 H new ATOM 0 HB2 ALA A 37 12.852 2.354 -6.388 1.00 0.00 H new ATOM 0 HB3 ALA A 37 14.023 2.745 -7.671 1.00 0.00 H new ATOM 514 N PRO A 38 13.388 -0.126 -9.501 1.00 0.00 N ATOM 515 CA PRO A 38 11.956 0.006 -9.216 1.00 0.00 C ATOM 516 C PRO A 38 11.465 -1.037 -8.219 1.00 0.00 C ATOM 517 O PRO A 38 12.071 -2.097 -8.065 1.00 0.00 O ATOM 518 CB PRO A 38 11.302 -0.211 -10.583 1.00 0.00 C ATOM 519 CG PRO A 38 12.281 -1.035 -11.345 1.00 0.00 C ATOM 520 CD PRO A 38 13.642 -0.608 -10.869 1.00 0.00 C ATOM 0 HA PRO A 38 11.717 0.967 -8.761 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.344 -0.722 -10.487 1.00 0.00 H new ATOM 0 HB3 PRO A 38 11.108 0.737 -11.084 1.00 0.00 H new ATOM 0 HG2 PRO A 38 12.120 -2.098 -11.164 1.00 0.00 H new ATOM 0 HG3 PRO A 38 12.175 -0.874 -12.418 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.350 -1.437 -10.878 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.061 0.176 -11.500 1.00 0.00 H new ATOM 528 N VAL A 39 10.362 -0.730 -7.543 1.00 0.00 N ATOM 529 CA VAL A 39 9.789 -1.642 -6.560 1.00 0.00 C ATOM 530 C VAL A 39 8.519 -2.296 -7.094 1.00 0.00 C ATOM 531 O VAL A 39 7.834 -1.740 -7.953 1.00 0.00 O ATOM 532 CB VAL A 39 9.463 -0.914 -5.242 1.00 0.00 C ATOM 533 CG1 VAL A 39 9.190 -1.918 -4.132 1.00 0.00 C ATOM 534 CG2 VAL A 39 10.597 0.024 -4.858 1.00 0.00 C ATOM 0 H VAL A 39 9.848 0.143 -7.658 1.00 0.00 H new ATOM 0 HA VAL A 39 10.537 -2.411 -6.366 1.00 0.00 H new ATOM 0 HB VAL A 39 8.563 -0.317 -5.388 1.00 0.00 H new ATOM 0 HG11 VAL A 39 8.962 -1.386 -3.208 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.342 -2.545 -4.409 1.00 0.00 H new ATOM 0 HG13 VAL A 39 10.070 -2.543 -3.982 1.00 0.00 H new ATOM 0 HG21 VAL A 39 10.350 0.530 -3.925 1.00 0.00 H new ATOM 0 HG22 VAL A 39 11.515 -0.549 -4.728 1.00 0.00 H new ATOM 0 HG23 VAL A 39 10.739 0.764 -5.645 1.00 0.00 H new ATOM 544 N LYS A 40 8.210 -3.482 -6.579 1.00 0.00 N ATOM 545 CA LYS A 40 7.022 -4.213 -7.002 1.00 0.00 C ATOM 546 C LYS A 40 5.975 -4.237 -5.893 1.00 0.00 C ATOM 547 O LYS A 40 6.301 -4.440 -4.723 1.00 0.00 O ATOM 548 CB LYS A 40 7.393 -5.644 -7.398 1.00 0.00 C ATOM 549 CG LYS A 40 6.191 -6.542 -7.630 1.00 0.00 C ATOM 550 CD LYS A 40 6.530 -7.702 -8.552 1.00 0.00 C ATOM 551 CE LYS A 40 5.311 -8.168 -9.333 1.00 0.00 C ATOM 552 NZ LYS A 40 5.127 -7.390 -10.590 1.00 0.00 N ATOM 0 H LYS A 40 8.766 -3.957 -5.868 1.00 0.00 H new ATOM 0 HA LYS A 40 6.599 -3.701 -7.866 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.996 -5.616 -8.306 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.015 -6.079 -6.616 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.834 -6.928 -6.675 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.378 -5.959 -8.062 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.314 -7.399 -9.246 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.926 -8.531 -7.965 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.416 -9.226 -9.573 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.421 -8.069 -8.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.286 -7.738 -11.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.001 -6.384 -10.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.965 -7.505 -11.195 1.00 0.00 H new ATOM 566 N TRP A 41 4.718 -4.031 -6.268 1.00 0.00 N ATOM 567 CA TRP A 41 3.623 -4.031 -5.304 1.00 0.00 C ATOM 568 C TRP A 41 2.721 -5.243 -5.505 1.00 0.00 C ATOM 569 O TRP A 41 2.734 -5.869 -6.566 1.00 0.00 O ATOM 570 CB TRP A 41 2.806 -2.744 -5.430 1.00 0.00 C ATOM 571 CG TRP A 41 3.358 -1.608 -4.623 1.00 0.00 C ATOM 572 CD1 TRP A 41 4.445 -0.840 -4.926 1.00 0.00 C ATOM 573 CD2 TRP A 41 2.849 -1.115 -3.379 1.00 0.00 C ATOM 574 NE1 TRP A 41 4.643 0.102 -3.945 1.00 0.00 N ATOM 575 CE2 TRP A 41 3.677 -0.046 -2.985 1.00 0.00 C ATOM 576 CE3 TRP A 41 1.774 -1.471 -2.560 1.00 0.00 C ATOM 577 CZ2 TRP A 41 3.463 0.668 -1.809 1.00 0.00 C ATOM 578 CZ3 TRP A 41 1.563 -0.763 -1.393 1.00 0.00 C ATOM 579 CH2 TRP A 41 2.403 0.297 -1.026 1.00 0.00 C ATOM 0 H TRP A 41 4.431 -3.862 -7.232 1.00 0.00 H new ATOM 0 HA TRP A 41 4.052 -4.084 -4.303 1.00 0.00 H new ATOM 0 HB2 TRP A 41 2.765 -2.449 -6.479 1.00 0.00 H new ATOM 0 HB3 TRP A 41 1.781 -2.940 -5.114 1.00 0.00 H new ATOM 0 HD1 TRP A 41 5.059 -0.956 -5.807 1.00 0.00 H new ATOM 0 HE1 TRP A 41 5.388 0.798 -3.934 1.00 0.00 H new ATOM 0 HE3 TRP A 41 1.120 -2.285 -2.835 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 4.110 1.485 -1.525 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 0.736 -1.031 -0.752 1.00 0.00 H new ATOM 0 HH2 TRP A 41 2.210 0.832 -0.108 1.00 0.00 H new ATOM 590 N CYS A 42 1.938 -5.569 -4.482 1.00 0.00 N ATOM 591 CA CYS A 42 1.029 -6.707 -4.547 1.00 0.00 C ATOM 592 C CYS A 42 -0.152 -6.515 -3.601 1.00 0.00 C ATOM 593 O CYS A 42 0.019 -6.095 -2.456 1.00 0.00 O ATOM 594 CB CYS A 42 1.771 -7.999 -4.201 1.00 0.00 C ATOM 595 SG CYS A 42 2.600 -8.774 -5.608 1.00 0.00 S ATOM 0 H CYS A 42 1.915 -5.061 -3.598 1.00 0.00 H new ATOM 0 HA CYS A 42 0.647 -6.778 -5.565 1.00 0.00 H new ATOM 0 HB2 CYS A 42 2.511 -7.785 -3.430 1.00 0.00 H new ATOM 0 HB3 CYS A 42 1.063 -8.709 -3.774 1.00 0.00 H new ATOM 0 HG CYS A 42 2.932 -7.862 -6.472 1.00 0.00 H new ATOM 601 N TYR A 43 -1.349 -6.823 -4.087 1.00 0.00 N ATOM 602 CA TYR A 43 -2.559 -6.681 -3.286 1.00 0.00 C ATOM 603 C TYR A 43 -3.401 -7.952 -3.340 1.00 0.00 C ATOM 604 O TYR A 43 -4.091 -8.212 -4.325 1.00 0.00 O ATOM 605 CB TYR A 43 -3.382 -5.489 -3.777 1.00 0.00 C ATOM 606 CG TYR A 43 -4.813 -5.499 -3.287 1.00 0.00 C ATOM 607 CD1 TYR A 43 -5.106 -5.664 -1.939 1.00 0.00 C ATOM 608 CD2 TYR A 43 -5.872 -5.343 -4.173 1.00 0.00 C ATOM 609 CE1 TYR A 43 -6.411 -5.675 -1.488 1.00 0.00 C ATOM 610 CE2 TYR A 43 -7.181 -5.351 -3.731 1.00 0.00 C ATOM 611 CZ TYR A 43 -7.445 -5.517 -2.387 1.00 0.00 C ATOM 612 OH TYR A 43 -8.747 -5.526 -1.941 1.00 0.00 O ATOM 0 H TYR A 43 -1.507 -7.173 -5.032 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.262 -6.508 -2.252 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -2.901 -4.567 -3.450 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -3.380 -5.481 -4.867 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -4.299 -5.786 -1.232 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -5.668 -5.213 -5.226 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -6.621 -5.807 -0.437 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -7.992 -5.228 -4.433 1.00 0.00 H new ATOM 0 HH TYR A 43 -9.177 -4.676 -2.170 1.00 0.00 H new ATOM 622 N GLY A 44 -3.339 -8.741 -2.272 1.00 0.00 N ATOM 623 CA GLY A 44 -4.100 -9.975 -2.216 1.00 0.00 C ATOM 624 C GLY A 44 -3.704 -10.950 -3.307 1.00 0.00 C ATOM 625 O GLY A 44 -2.930 -11.877 -3.070 1.00 0.00 O ATOM 0 H GLY A 44 -2.775 -8.547 -1.444 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -3.954 -10.444 -1.243 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.162 -9.748 -2.304 1.00 0.00 H new ATOM 629 N ASN A 45 -4.237 -10.742 -4.507 1.00 0.00 N ATOM 630 CA ASN A 45 -3.936 -11.612 -5.638 1.00 0.00 C ATOM 631 C ASN A 45 -3.492 -10.796 -6.849 1.00 0.00 C ATOM 632 O ASN A 45 -2.450 -11.066 -7.444 1.00 0.00 O ATOM 633 CB ASN A 45 -5.160 -12.456 -5.999 1.00 0.00 C ATOM 634 CG ASN A 45 -5.869 -13.000 -4.773 1.00 0.00 C ATOM 635 OD1 ASN A 45 -5.638 -14.137 -4.363 1.00 0.00 O ATOM 636 ND2 ASN A 45 -6.738 -12.187 -4.183 1.00 0.00 N ATOM 0 H ASN A 45 -4.879 -9.979 -4.721 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.119 -12.273 -5.348 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -5.857 -11.851 -6.580 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -4.851 -13.286 -6.635 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -7.246 -12.498 -3.355 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -6.898 -11.252 -4.558 1.00 0.00 H new ATOM 643 N ASN A 46 -4.292 -9.797 -7.207 1.00 0.00 N ATOM 644 CA ASN A 46 -3.982 -8.941 -8.346 1.00 0.00 C ATOM 645 C ASN A 46 -2.771 -8.061 -8.052 1.00 0.00 C ATOM 646 O ASN A 46 -2.590 -7.590 -6.930 1.00 0.00 O ATOM 647 CB ASN A 46 -5.188 -8.067 -8.697 1.00 0.00 C ATOM 648 CG ASN A 46 -6.452 -8.880 -8.898 1.00 0.00 C ATOM 649 OD1 ASN A 46 -6.396 -10.082 -9.156 1.00 0.00 O ATOM 650 ND2 ASN A 46 -7.601 -8.225 -8.779 1.00 0.00 N ATOM 0 H ASN A 46 -5.159 -9.560 -6.725 1.00 0.00 H new ATOM 0 HA ASN A 46 -3.746 -9.581 -9.196 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -5.350 -7.339 -7.902 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -4.973 -7.504 -9.605 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -8.485 -8.719 -8.903 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -7.600 -7.228 -8.564 1.00 0.00 H new ATOM 657 N VAL A 47 -1.943 -7.843 -9.070 1.00 0.00 N ATOM 658 CA VAL A 47 -0.750 -7.018 -8.922 1.00 0.00 C ATOM 659 C VAL A 47 -1.070 -5.544 -9.144 1.00 0.00 C ATOM 660 O VAL A 47 -1.548 -5.155 -10.210 1.00 0.00 O ATOM 661 CB VAL A 47 0.354 -7.447 -9.906 1.00 0.00 C ATOM 662 CG1 VAL A 47 1.501 -6.448 -9.891 1.00 0.00 C ATOM 663 CG2 VAL A 47 0.851 -8.846 -9.573 1.00 0.00 C ATOM 0 H VAL A 47 -2.077 -8.226 -10.006 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.392 -7.159 -7.902 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.067 -7.465 -10.911 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.271 -6.768 -10.592 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.131 -5.465 -10.182 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.924 -6.394 -8.888 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.631 -9.133 -10.279 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.255 -8.857 -8.561 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.023 -9.552 -9.641 1.00 0.00 H new ATOM 673 N LEU A 48 -0.801 -4.727 -8.131 1.00 0.00 N ATOM 674 CA LEU A 48 -1.060 -3.294 -8.216 1.00 0.00 C ATOM 675 C LEU A 48 -0.144 -2.635 -9.243 1.00 0.00 C ATOM 676 O LEU A 48 1.047 -2.939 -9.312 1.00 0.00 O ATOM 677 CB LEU A 48 -0.864 -2.639 -6.847 1.00 0.00 C ATOM 678 CG LEU A 48 -1.836 -3.075 -5.750 1.00 0.00 C ATOM 679 CD1 LEU A 48 -1.471 -2.423 -4.425 1.00 0.00 C ATOM 680 CD2 LEU A 48 -3.267 -2.733 -6.138 1.00 0.00 C ATOM 0 H LEU A 48 -0.404 -5.032 -7.242 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.093 -3.154 -8.535 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.151 -2.847 -6.509 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.945 -1.559 -6.968 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.761 -4.156 -5.633 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.173 -2.744 -3.656 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.461 -2.718 -4.140 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.517 -1.339 -4.528 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.945 -3.051 -5.346 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.357 -1.656 -6.283 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.526 -3.247 -7.064 1.00 0.00 H new ATOM 692 N ARG A 49 -0.709 -1.731 -10.037 1.00 0.00 N ATOM 693 CA ARG A 49 0.057 -1.029 -11.059 1.00 0.00 C ATOM 694 C ARG A 49 -0.329 0.447 -11.109 1.00 0.00 C ATOM 695 O ARG A 49 -1.460 0.829 -10.809 1.00 0.00 O ATOM 696 CB ARG A 49 -0.169 -1.673 -12.428 1.00 0.00 C ATOM 697 CG ARG A 49 0.049 -3.177 -12.438 1.00 0.00 C ATOM 698 CD ARG A 49 -0.414 -3.799 -13.745 1.00 0.00 C ATOM 699 NE ARG A 49 0.345 -5.001 -14.079 1.00 0.00 N ATOM 700 CZ ARG A 49 0.280 -5.607 -15.259 1.00 0.00 C ATOM 701 NH1 ARG A 49 -0.505 -5.127 -16.213 1.00 0.00 N ATOM 702 NH2 ARG A 49 1.002 -6.697 -15.487 1.00 0.00 N ATOM 0 H ARG A 49 -1.693 -1.468 -9.992 1.00 0.00 H new ATOM 0 HA ARG A 49 1.113 -1.102 -10.801 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.186 -1.460 -12.757 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.503 -1.212 -13.152 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.106 -3.393 -12.286 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.492 -3.630 -11.607 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.473 -4.047 -13.673 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.311 -3.071 -14.549 1.00 0.00 H new ATOM 0 HE ARG A 49 0.959 -5.397 -13.367 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.062 -4.290 -16.042 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.552 -5.595 -17.118 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.607 -7.070 -14.756 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.951 -7.162 -16.394 1.00 0.00 H new ATOM 716 N PRO A 50 0.633 1.297 -11.497 1.00 0.00 N ATOM 717 CA PRO A 50 0.418 2.744 -11.595 1.00 0.00 C ATOM 718 C PRO A 50 -0.510 3.115 -12.747 1.00 0.00 C ATOM 719 O PRO A 50 -0.530 2.448 -13.781 1.00 0.00 O ATOM 720 CB PRO A 50 1.824 3.296 -11.843 1.00 0.00 C ATOM 721 CG PRO A 50 2.568 2.169 -12.473 1.00 0.00 C ATOM 722 CD PRO A 50 2.005 0.912 -11.869 1.00 0.00 C ATOM 0 HA PRO A 50 -0.061 3.146 -10.702 1.00 0.00 H new ATOM 0 HB2 PRO A 50 1.797 4.168 -12.497 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.296 3.610 -10.912 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.440 2.173 -13.555 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.637 2.250 -12.279 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.012 0.086 -12.581 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.581 0.590 -11.002 1.00 0.00 H new ATOM 730 N GLY A 51 -1.278 4.185 -12.561 1.00 0.00 N ATOM 731 CA GLY A 51 -2.197 4.626 -13.594 1.00 0.00 C ATOM 732 C GLY A 51 -3.031 5.815 -13.158 1.00 0.00 C ATOM 733 O GLY A 51 -2.501 6.792 -12.629 1.00 0.00 O ATOM 0 H GLY A 51 -1.280 4.753 -11.714 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.634 4.890 -14.489 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.858 3.802 -13.864 1.00 0.00 H new ATOM 737 N ASP A 52 -4.338 5.733 -13.383 1.00 0.00 N ATOM 738 CA ASP A 52 -5.246 6.811 -13.010 1.00 0.00 C ATOM 739 C ASP A 52 -5.878 6.543 -11.648 1.00 0.00 C ATOM 740 O ASP A 52 -6.038 7.455 -10.836 1.00 0.00 O ATOM 741 CB ASP A 52 -6.338 6.975 -14.069 1.00 0.00 C ATOM 742 CG ASP A 52 -7.032 5.666 -14.392 1.00 0.00 C ATOM 743 OD1 ASP A 52 -6.327 4.659 -14.608 1.00 0.00 O ATOM 744 OD2 ASP A 52 -8.280 5.650 -14.430 1.00 0.00 O ATOM 0 H ASP A 52 -4.792 4.932 -13.822 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.669 7.734 -12.947 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.075 7.697 -13.718 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.899 7.385 -14.979 1.00 0.00 H new ATOM 749 N LYS A 53 -6.235 5.287 -11.403 1.00 0.00 N ATOM 750 CA LYS A 53 -6.849 4.898 -10.140 1.00 0.00 C ATOM 751 C LYS A 53 -5.806 4.822 -9.029 1.00 0.00 C ATOM 752 O LYS A 53 -6.007 5.358 -7.938 1.00 0.00 O ATOM 753 CB LYS A 53 -7.553 3.547 -10.286 1.00 0.00 C ATOM 754 CG LYS A 53 -9.005 3.661 -10.714 1.00 0.00 C ATOM 755 CD LYS A 53 -9.887 4.140 -9.573 1.00 0.00 C ATOM 756 CE LYS A 53 -10.135 3.035 -8.558 1.00 0.00 C ATOM 757 NZ LYS A 53 -11.014 1.965 -9.107 1.00 0.00 N ATOM 0 H LYS A 53 -6.109 4.520 -12.064 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.584 5.657 -9.873 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -7.014 2.943 -11.016 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.504 3.017 -9.335 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -9.085 4.353 -11.552 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.359 2.692 -11.066 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.415 4.990 -9.079 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.839 4.491 -9.971 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.183 2.602 -8.253 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -10.593 3.459 -7.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.366 1.371 -8.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.819 2.398 -9.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -10.472 1.378 -9.773 1.00 0.00 H new ATOM 771 N TYR A 54 -4.693 4.155 -9.313 1.00 0.00 N ATOM 772 CA TYR A 54 -3.620 4.009 -8.337 1.00 0.00 C ATOM 773 C TYR A 54 -2.504 5.017 -8.599 1.00 0.00 C ATOM 774 O TYR A 54 -2.549 5.771 -9.572 1.00 0.00 O ATOM 775 CB TYR A 54 -3.057 2.588 -8.376 1.00 0.00 C ATOM 776 CG TYR A 54 -4.114 1.514 -8.243 1.00 0.00 C ATOM 777 CD1 TYR A 54 -4.895 1.143 -9.330 1.00 0.00 C ATOM 778 CD2 TYR A 54 -4.330 0.871 -7.030 1.00 0.00 C ATOM 779 CE1 TYR A 54 -5.862 0.163 -9.212 1.00 0.00 C ATOM 780 CE2 TYR A 54 -5.293 -0.110 -6.904 1.00 0.00 C ATOM 781 CZ TYR A 54 -6.057 -0.460 -7.998 1.00 0.00 C ATOM 782 OH TYR A 54 -7.019 -1.438 -7.877 1.00 0.00 O ATOM 0 H TYR A 54 -4.510 3.707 -10.211 1.00 0.00 H new ATOM 0 HA TYR A 54 -4.035 4.202 -7.348 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -2.521 2.444 -9.314 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -2.330 2.472 -7.572 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -4.744 1.628 -10.283 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -3.734 1.143 -6.171 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -6.462 -0.113 -10.067 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -5.447 -0.601 -5.954 1.00 0.00 H new ATOM 0 HH TYR A 54 -7.028 -1.776 -6.957 1.00 0.00 H new ATOM 792 N SER A 55 -1.504 5.023 -7.725 1.00 0.00 N ATOM 793 CA SER A 55 -0.377 5.940 -7.858 1.00 0.00 C ATOM 794 C SER A 55 0.804 5.476 -7.012 1.00 0.00 C ATOM 795 O SER A 55 0.716 5.411 -5.785 1.00 0.00 O ATOM 796 CB SER A 55 -0.791 7.354 -7.446 1.00 0.00 C ATOM 797 OG SER A 55 0.217 8.295 -7.771 1.00 0.00 O ATOM 0 H SER A 55 -1.450 4.403 -6.917 1.00 0.00 H new ATOM 0 HA SER A 55 -0.070 5.950 -8.904 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.721 7.625 -7.947 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.987 7.381 -6.374 1.00 0.00 H new ATOM 0 HG SER A 55 -0.072 9.191 -7.499 1.00 0.00 H new ATOM 803 N LEU A 56 1.909 5.153 -7.675 1.00 0.00 N ATOM 804 CA LEU A 56 3.109 4.694 -6.985 1.00 0.00 C ATOM 805 C LEU A 56 4.258 5.680 -7.177 1.00 0.00 C ATOM 806 O LEU A 56 4.545 6.104 -8.296 1.00 0.00 O ATOM 807 CB LEU A 56 3.518 3.312 -7.496 1.00 0.00 C ATOM 808 CG LEU A 56 2.630 2.146 -7.060 1.00 0.00 C ATOM 809 CD1 LEU A 56 1.371 2.087 -7.910 1.00 0.00 C ATOM 810 CD2 LEU A 56 3.395 0.833 -7.144 1.00 0.00 C ATOM 0 H LEU A 56 1.999 5.201 -8.690 1.00 0.00 H new ATOM 0 HA LEU A 56 2.884 4.629 -5.921 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.537 3.340 -8.585 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.537 3.111 -7.164 1.00 0.00 H new ATOM 0 HG LEU A 56 2.336 2.306 -6.023 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.752 1.251 -7.585 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.813 3.017 -7.799 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.644 1.951 -8.956 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.748 0.014 -6.830 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.719 0.666 -8.171 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.267 0.877 -6.491 1.00 0.00 H new ATOM 822 N ARG A 57 4.912 6.039 -6.077 1.00 0.00 N ATOM 823 CA ARG A 57 6.030 6.974 -6.125 1.00 0.00 C ATOM 824 C ARG A 57 7.100 6.594 -5.105 1.00 0.00 C ATOM 825 O ARG A 57 6.789 6.264 -3.960 1.00 0.00 O ATOM 826 CB ARG A 57 5.542 8.400 -5.861 1.00 0.00 C ATOM 827 CG ARG A 57 6.380 9.467 -6.546 1.00 0.00 C ATOM 828 CD ARG A 57 6.318 10.789 -5.797 1.00 0.00 C ATOM 829 NE ARG A 57 7.410 11.683 -6.174 1.00 0.00 N ATOM 830 CZ ARG A 57 7.585 12.891 -5.650 1.00 0.00 C ATOM 831 NH1 ARG A 57 6.744 13.347 -4.731 1.00 0.00 N ATOM 832 NH2 ARG A 57 8.602 13.646 -6.044 1.00 0.00 N ATOM 0 H ARG A 57 4.687 5.697 -5.143 1.00 0.00 H new ATOM 0 HA ARG A 57 6.469 6.926 -7.122 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.509 8.490 -6.198 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.544 8.583 -4.786 1.00 0.00 H new ATOM 0 HG2 ARG A 57 7.415 9.132 -6.611 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.026 9.609 -7.567 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.364 11.276 -6.000 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.358 10.600 -4.724 1.00 0.00 H new ATOM 0 HE ARG A 57 8.075 11.362 -6.878 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.961 12.770 -4.425 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.881 14.275 -4.330 1.00 0.00 H new ATOM 0 HH21 ARG A 57 9.251 13.299 -6.750 1.00 0.00 H new ATOM 0 HH22 ARG A 57 8.735 14.573 -5.641 1.00 0.00 H new ATOM 846 N GLN A 58 8.358 6.644 -5.529 1.00 0.00 N ATOM 847 CA GLN A 58 9.473 6.304 -4.652 1.00 0.00 C ATOM 848 C GLN A 58 10.249 7.553 -4.249 1.00 0.00 C ATOM 849 O GLN A 58 10.641 8.352 -5.098 1.00 0.00 O ATOM 850 CB GLN A 58 10.408 5.310 -5.343 1.00 0.00 C ATOM 851 CG GLN A 58 11.663 4.998 -4.544 1.00 0.00 C ATOM 852 CD GLN A 58 11.462 3.862 -3.561 1.00 0.00 C ATOM 853 OE1 GLN A 58 10.606 3.933 -2.679 1.00 0.00 O ATOM 854 NE2 GLN A 58 12.251 2.804 -3.709 1.00 0.00 N ATOM 0 H GLN A 58 8.631 6.916 -6.473 1.00 0.00 H new ATOM 0 HA GLN A 58 9.066 5.844 -3.751 1.00 0.00 H new ATOM 0 HB2 GLN A 58 9.866 4.383 -5.529 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.696 5.711 -6.315 1.00 0.00 H new ATOM 0 HG2 GLN A 58 12.471 4.742 -5.229 1.00 0.00 H new ATOM 0 HG3 GLN A 58 11.976 5.891 -4.003 1.00 0.00 H new ATOM 0 HE21 GLN A 58 12.947 2.787 -4.454 1.00 0.00 H new ATOM 0 HE22 GLN A 58 12.161 2.008 -3.078 1.00 0.00 H new ATOM 863 N GLU A 59 10.465 7.715 -2.947 1.00 0.00 N ATOM 864 CA GLU A 59 11.193 8.869 -2.432 1.00 0.00 C ATOM 865 C GLU A 59 12.269 8.435 -1.440 1.00 0.00 C ATOM 866 O GLU A 59 12.028 8.370 -0.235 1.00 0.00 O ATOM 867 CB GLU A 59 10.230 9.849 -1.760 1.00 0.00 C ATOM 868 CG GLU A 59 10.690 11.296 -1.824 1.00 0.00 C ATOM 869 CD GLU A 59 11.104 11.715 -3.221 1.00 0.00 C ATOM 870 OE1 GLU A 59 10.234 12.191 -3.981 1.00 0.00 O ATOM 871 OE2 GLU A 59 12.298 11.566 -3.555 1.00 0.00 O ATOM 0 H GLU A 59 10.147 7.063 -2.231 1.00 0.00 H new ATOM 0 HA GLU A 59 11.677 9.366 -3.273 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.252 9.766 -2.234 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.104 9.563 -0.716 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.886 11.945 -1.478 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.529 11.437 -1.143 1.00 0.00 H new ATOM 878 N GLY A 60 13.457 8.137 -1.957 1.00 0.00 N ATOM 879 CA GLY A 60 14.552 7.712 -1.104 1.00 0.00 C ATOM 880 C GLY A 60 14.093 6.803 0.018 1.00 0.00 C ATOM 881 O GLY A 60 13.833 7.261 1.131 1.00 0.00 O ATOM 0 H GLY A 60 13.681 8.182 -2.951 1.00 0.00 H new ATOM 0 HA2 GLY A 60 15.297 7.193 -1.706 1.00 0.00 H new ATOM 0 HA3 GLY A 60 15.040 8.590 -0.680 1.00 0.00 H new ATOM 885 N ALA A 61 13.991 5.510 -0.274 1.00 0.00 N ATOM 886 CA ALA A 61 13.561 4.534 0.720 1.00 0.00 C ATOM 887 C ALA A 61 12.171 4.869 1.252 1.00 0.00 C ATOM 888 O ALA A 61 11.912 4.758 2.450 1.00 0.00 O ATOM 889 CB ALA A 61 14.563 4.466 1.862 1.00 0.00 C ATOM 0 H ALA A 61 14.200 5.114 -1.191 1.00 0.00 H new ATOM 0 HA ALA A 61 13.512 3.558 0.237 1.00 0.00 H new ATOM 0 HB1 ALA A 61 14.229 3.733 2.596 1.00 0.00 H new ATOM 0 HB2 ALA A 61 15.538 4.172 1.474 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.642 5.444 2.336 1.00 0.00 H new ATOM 895 N MET A 62 11.282 5.279 0.354 1.00 0.00 N ATOM 896 CA MET A 62 9.918 5.630 0.735 1.00 0.00 C ATOM 897 C MET A 62 8.945 5.342 -0.404 1.00 0.00 C ATOM 898 O MET A 62 9.253 5.581 -1.573 1.00 0.00 O ATOM 899 CB MET A 62 9.839 7.106 1.128 1.00 0.00 C ATOM 900 CG MET A 62 8.701 7.419 2.086 1.00 0.00 C ATOM 901 SD MET A 62 8.544 9.183 2.424 1.00 0.00 S ATOM 902 CE MET A 62 8.459 9.179 4.213 1.00 0.00 C ATOM 0 H MET A 62 11.481 5.377 -0.642 1.00 0.00 H new ATOM 0 HA MET A 62 9.638 5.018 1.593 1.00 0.00 H new ATOM 0 HB2 MET A 62 10.782 7.402 1.588 1.00 0.00 H new ATOM 0 HB3 MET A 62 9.721 7.708 0.227 1.00 0.00 H new ATOM 0 HG2 MET A 62 7.766 7.049 1.666 1.00 0.00 H new ATOM 0 HG3 MET A 62 8.863 6.886 3.023 1.00 0.00 H new ATOM 0 HE1 MET A 62 8.360 10.202 4.575 1.00 0.00 H new ATOM 0 HE2 MET A 62 7.597 8.595 4.535 1.00 0.00 H new ATOM 0 HE3 MET A 62 9.369 8.737 4.619 1.00 0.00 H new ATOM 912 N LEU A 63 7.770 4.828 -0.057 1.00 0.00 N ATOM 913 CA LEU A 63 6.752 4.508 -1.051 1.00 0.00 C ATOM 914 C LEU A 63 5.450 5.244 -0.753 1.00 0.00 C ATOM 915 O LEU A 63 5.229 5.705 0.366 1.00 0.00 O ATOM 916 CB LEU A 63 6.501 2.999 -1.085 1.00 0.00 C ATOM 917 CG LEU A 63 7.740 2.116 -1.238 1.00 0.00 C ATOM 918 CD1 LEU A 63 8.442 2.405 -2.556 1.00 0.00 C ATOM 919 CD2 LEU A 63 8.691 2.325 -0.068 1.00 0.00 C ATOM 0 H LEU A 63 7.499 4.624 0.905 1.00 0.00 H new ATOM 0 HA LEU A 63 7.117 4.832 -2.026 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.989 2.715 -0.166 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.821 2.782 -1.909 1.00 0.00 H new ATOM 0 HG LEU A 63 7.422 1.073 -1.240 1.00 0.00 H new ATOM 0 HD11 LEU A 63 9.321 1.767 -2.647 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.761 2.204 -3.383 1.00 0.00 H new ATOM 0 HD13 LEU A 63 8.748 3.451 -2.584 1.00 0.00 H new ATOM 0 HD21 LEU A 63 9.567 1.689 -0.193 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.002 3.369 -0.034 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.185 2.067 0.862 1.00 0.00 H new ATOM 931 N GLU A 64 4.591 5.349 -1.762 1.00 0.00 N ATOM 932 CA GLU A 64 3.310 6.028 -1.607 1.00 0.00 C ATOM 933 C GLU A 64 2.274 5.466 -2.577 1.00 0.00 C ATOM 934 O GLU A 64 2.338 5.712 -3.782 1.00 0.00 O ATOM 935 CB GLU A 64 3.474 7.532 -1.835 1.00 0.00 C ATOM 936 CG GLU A 64 2.424 8.373 -1.128 1.00 0.00 C ATOM 937 CD GLU A 64 2.597 9.858 -1.383 1.00 0.00 C ATOM 938 OE1 GLU A 64 3.573 10.440 -0.864 1.00 0.00 O ATOM 939 OE2 GLU A 64 1.757 10.437 -2.102 1.00 0.00 O ATOM 0 H GLU A 64 4.759 4.973 -2.695 1.00 0.00 H new ATOM 0 HA GLU A 64 2.959 5.858 -0.589 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.463 7.837 -1.492 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.430 7.736 -2.905 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.433 8.064 -1.460 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.474 8.184 -0.056 1.00 0.00 H new ATOM 946 N LEU A 65 1.322 4.709 -2.043 1.00 0.00 N ATOM 947 CA LEU A 65 0.272 4.111 -2.860 1.00 0.00 C ATOM 948 C LEU A 65 -1.079 4.757 -2.570 1.00 0.00 C ATOM 949 O LEU A 65 -1.645 4.579 -1.491 1.00 0.00 O ATOM 950 CB LEU A 65 0.196 2.605 -2.604 1.00 0.00 C ATOM 951 CG LEU A 65 -0.976 1.871 -3.258 1.00 0.00 C ATOM 952 CD1 LEU A 65 -0.628 1.471 -4.683 1.00 0.00 C ATOM 953 CD2 LEU A 65 -1.365 0.650 -2.438 1.00 0.00 C ATOM 0 H LEU A 65 1.256 4.495 -1.048 1.00 0.00 H new ATOM 0 HA LEU A 65 0.518 4.284 -3.908 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.123 2.150 -2.952 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.146 2.442 -1.527 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.830 2.548 -3.292 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.474 0.950 -5.132 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.401 2.363 -5.266 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.240 0.812 -4.674 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.200 0.140 -2.918 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.515 -0.029 -2.371 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.659 0.963 -1.436 1.00 0.00 H new ATOM 965 N VAL A 66 -1.592 5.505 -3.541 1.00 0.00 N ATOM 966 CA VAL A 66 -2.879 6.175 -3.391 1.00 0.00 C ATOM 967 C VAL A 66 -3.996 5.372 -4.049 1.00 0.00 C ATOM 968 O VAL A 66 -3.963 5.113 -5.252 1.00 0.00 O ATOM 969 CB VAL A 66 -2.850 7.589 -4.001 1.00 0.00 C ATOM 970 CG1 VAL A 66 -4.207 8.261 -3.856 1.00 0.00 C ATOM 971 CG2 VAL A 66 -1.759 8.426 -3.352 1.00 0.00 C ATOM 0 H VAL A 66 -1.137 5.663 -4.440 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.073 6.253 -2.321 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.626 7.503 -5.064 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.167 9.259 -4.293 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.963 7.669 -4.372 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.464 8.337 -2.800 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.753 9.422 -3.795 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.950 8.506 -2.282 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.791 7.951 -3.513 1.00 0.00 H new ATOM 981 N VAL A 67 -4.985 4.982 -3.252 1.00 0.00 N ATOM 982 CA VAL A 67 -6.114 4.210 -3.756 1.00 0.00 C ATOM 983 C VAL A 67 -7.416 4.994 -3.632 1.00 0.00 C ATOM 984 O VAL A 67 -7.791 5.424 -2.541 1.00 0.00 O ATOM 985 CB VAL A 67 -6.260 2.872 -3.006 1.00 0.00 C ATOM 986 CG1 VAL A 67 -7.375 2.037 -3.615 1.00 0.00 C ATOM 987 CG2 VAL A 67 -4.944 2.109 -3.017 1.00 0.00 C ATOM 0 H VAL A 67 -5.027 5.188 -2.254 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.914 4.008 -4.808 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.522 3.083 -1.969 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.463 1.096 -3.072 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.316 2.583 -3.549 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.147 1.832 -4.661 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.065 1.167 -2.483 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.649 1.907 -4.047 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.173 2.706 -2.529 1.00 0.00 H new ATOM 997 N ARG A 68 -8.100 5.175 -4.756 1.00 0.00 N ATOM 998 CA ARG A 68 -9.360 5.909 -4.774 1.00 0.00 C ATOM 999 C ARG A 68 -10.545 4.952 -4.860 1.00 0.00 C ATOM 1000 O ARG A 68 -10.377 3.762 -5.124 1.00 0.00 O ATOM 1001 CB ARG A 68 -9.391 6.884 -5.952 1.00 0.00 C ATOM 1002 CG ARG A 68 -8.271 7.910 -5.923 1.00 0.00 C ATOM 1003 CD ARG A 68 -8.237 8.735 -7.201 1.00 0.00 C ATOM 1004 NE ARG A 68 -7.354 9.892 -7.082 1.00 0.00 N ATOM 1005 CZ ARG A 68 -7.110 10.735 -8.079 1.00 0.00 C ATOM 1006 NH1 ARG A 68 -7.680 10.551 -9.262 1.00 0.00 N ATOM 1007 NH2 ARG A 68 -6.294 11.765 -7.894 1.00 0.00 N ATOM 0 H ARG A 68 -7.803 4.824 -5.667 1.00 0.00 H new ATOM 0 HA ARG A 68 -9.437 6.472 -3.844 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -9.330 6.319 -6.882 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -10.349 7.404 -5.957 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.403 8.570 -5.066 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.315 7.403 -5.790 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.904 8.108 -8.028 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.245 9.072 -7.442 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.900 10.062 -6.185 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.308 9.760 -9.408 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -7.491 11.200 -10.026 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.853 11.910 -6.986 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.107 12.412 -8.660 1.00 0.00 H new ATOM 1021 N ASN A 69 -11.744 5.480 -4.635 1.00 0.00 N ATOM 1022 CA ASN A 69 -12.957 4.672 -4.686 1.00 0.00 C ATOM 1023 C ASN A 69 -12.888 3.523 -3.685 1.00 0.00 C ATOM 1024 O ASN A 69 -13.244 2.387 -4.002 1.00 0.00 O ATOM 1025 CB ASN A 69 -13.170 4.123 -6.098 1.00 0.00 C ATOM 1026 CG ASN A 69 -13.895 5.104 -6.997 1.00 0.00 C ATOM 1027 OD1 ASN A 69 -14.882 5.720 -6.595 1.00 0.00 O ATOM 1028 ND2 ASN A 69 -13.408 5.255 -8.224 1.00 0.00 N ATOM 0 H ASN A 69 -11.901 6.464 -4.416 1.00 0.00 H new ATOM 0 HA ASN A 69 -13.800 5.310 -4.421 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.204 3.877 -6.538 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -13.741 3.196 -6.042 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -13.855 5.902 -8.874 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -12.587 4.724 -8.516 1.00 0.00 H new ATOM 1035 N LEU A 70 -12.428 3.825 -2.476 1.00 0.00 N ATOM 1036 CA LEU A 70 -12.312 2.817 -1.428 1.00 0.00 C ATOM 1037 C LEU A 70 -13.624 2.059 -1.254 1.00 0.00 C ATOM 1038 O LEU A 70 -14.631 2.389 -1.881 1.00 0.00 O ATOM 1039 CB LEU A 70 -11.910 3.473 -0.105 1.00 0.00 C ATOM 1040 CG LEU A 70 -10.440 3.870 0.027 1.00 0.00 C ATOM 1041 CD1 LEU A 70 -10.162 4.436 1.411 1.00 0.00 C ATOM 1042 CD2 LEU A 70 -9.537 2.678 -0.255 1.00 0.00 C ATOM 0 H LEU A 70 -12.129 4.760 -2.197 1.00 0.00 H new ATOM 0 HA LEU A 70 -11.540 2.107 -1.725 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.521 4.365 0.036 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.155 2.788 0.707 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.226 4.644 -0.710 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -9.110 4.713 1.486 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -10.782 5.317 1.575 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -10.394 3.684 2.165 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.494 2.980 -0.156 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.753 1.881 0.457 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.716 2.318 -1.268 1.00 0.00 H new ATOM 1054 N ARG A 71 -13.606 1.043 -0.398 1.00 0.00 N ATOM 1055 CA ARG A 71 -14.794 0.238 -0.141 1.00 0.00 C ATOM 1056 C ARG A 71 -14.641 -0.561 1.150 1.00 0.00 C ATOM 1057 O ARG A 71 -13.553 -1.018 1.501 1.00 0.00 O ATOM 1058 CB ARG A 71 -15.057 -0.710 -1.312 1.00 0.00 C ATOM 1059 CG ARG A 71 -15.501 -0.001 -2.582 1.00 0.00 C ATOM 1060 CD ARG A 71 -16.075 -0.980 -3.595 1.00 0.00 C ATOM 1061 NE ARG A 71 -16.944 -0.318 -4.564 1.00 0.00 N ATOM 1062 CZ ARG A 71 -16.492 0.386 -5.596 1.00 0.00 C ATOM 1063 NH1 ARG A 71 -15.187 0.518 -5.792 1.00 0.00 N ATOM 1064 NH2 ARG A 71 -17.346 0.959 -6.434 1.00 0.00 N ATOM 0 H ARG A 71 -12.781 0.757 0.130 1.00 0.00 H new ATOM 0 HA ARG A 71 -15.643 0.913 -0.031 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -14.150 -1.277 -1.521 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -15.822 -1.430 -1.021 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -16.250 0.752 -2.337 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -14.653 0.524 -3.022 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -15.260 -1.478 -4.120 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -16.638 -1.754 -3.073 1.00 0.00 H new ATOM 0 HE ARG A 71 -17.953 -0.401 -4.442 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -14.528 0.078 -5.150 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -14.843 1.059 -6.585 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -18.350 0.859 -6.286 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -16.998 1.499 -7.226 1.00 0.00 H new ATOM 1078 N PRO A 72 -15.757 -0.734 1.874 1.00 0.00 N ATOM 1079 CA PRO A 72 -15.772 -1.478 3.137 1.00 0.00 C ATOM 1080 C PRO A 72 -15.556 -2.973 2.932 1.00 0.00 C ATOM 1081 O PRO A 72 -15.483 -3.737 3.895 1.00 0.00 O ATOM 1082 CB PRO A 72 -17.175 -1.211 3.689 1.00 0.00 C ATOM 1083 CG PRO A 72 -18.003 -0.910 2.488 1.00 0.00 C ATOM 1084 CD PRO A 72 -17.088 -0.217 1.517 1.00 0.00 C ATOM 0 HA PRO A 72 -14.969 -1.164 3.804 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -17.560 -2.077 4.228 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -17.173 -0.375 4.388 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -18.410 -1.824 2.056 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -18.850 -0.275 2.747 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -17.346 -0.451 0.484 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -17.139 0.867 1.620 1.00 0.00 H new ATOM 1092 N GLN A 73 -15.454 -3.384 1.672 1.00 0.00 N ATOM 1093 CA GLN A 73 -15.247 -4.789 1.342 1.00 0.00 C ATOM 1094 C GLN A 73 -13.782 -5.061 1.014 1.00 0.00 C ATOM 1095 O GLN A 73 -13.310 -6.192 1.127 1.00 0.00 O ATOM 1096 CB GLN A 73 -16.129 -5.193 0.160 1.00 0.00 C ATOM 1097 CG GLN A 73 -17.600 -4.860 0.357 1.00 0.00 C ATOM 1098 CD GLN A 73 -18.254 -5.717 1.423 1.00 0.00 C ATOM 1099 OE1 GLN A 73 -17.672 -6.694 1.894 1.00 0.00 O ATOM 1100 NE2 GLN A 73 -19.472 -5.354 1.809 1.00 0.00 N ATOM 0 H GLN A 73 -15.511 -2.765 0.864 1.00 0.00 H new ATOM 0 HA GLN A 73 -15.523 -5.385 2.212 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -15.769 -4.693 -0.739 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -16.027 -6.265 -0.009 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -17.697 -3.809 0.630 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -18.129 -4.994 -0.587 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -19.917 -4.537 1.391 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -19.962 -5.893 2.523 1.00 0.00 H new ATOM 1109 N ASP A 74 -13.069 -4.017 0.607 1.00 0.00 N ATOM 1110 CA ASP A 74 -11.657 -4.142 0.263 1.00 0.00 C ATOM 1111 C ASP A 74 -10.820 -4.436 1.504 1.00 0.00 C ATOM 1112 O ASP A 74 -9.791 -5.107 1.426 1.00 0.00 O ATOM 1113 CB ASP A 74 -11.159 -2.863 -0.412 1.00 0.00 C ATOM 1114 CG ASP A 74 -11.404 -2.866 -1.908 1.00 0.00 C ATOM 1115 OD1 ASP A 74 -12.576 -3.000 -2.317 1.00 0.00 O ATOM 1116 OD2 ASP A 74 -10.423 -2.734 -2.670 1.00 0.00 O ATOM 0 H ASP A 74 -13.445 -3.074 0.507 1.00 0.00 H new ATOM 0 HA ASP A 74 -11.550 -4.975 -0.432 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.658 -2.002 0.033 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.092 -2.747 -0.222 1.00 0.00 H new ATOM 1121 N SER A 75 -11.267 -3.929 2.648 1.00 0.00 N ATOM 1122 CA SER A 75 -10.557 -4.133 3.905 1.00 0.00 C ATOM 1123 C SER A 75 -9.965 -5.537 3.972 1.00 0.00 C ATOM 1124 O SER A 75 -10.663 -6.503 4.276 1.00 0.00 O ATOM 1125 CB SER A 75 -11.497 -3.906 5.090 1.00 0.00 C ATOM 1126 OG SER A 75 -11.990 -2.577 5.103 1.00 0.00 O ATOM 0 H SER A 75 -12.118 -3.373 2.730 1.00 0.00 H new ATOM 0 HA SER A 75 -9.742 -3.411 3.955 1.00 0.00 H new ATOM 0 HB2 SER A 75 -12.331 -4.606 5.036 1.00 0.00 H new ATOM 0 HB3 SER A 75 -10.969 -4.110 6.021 1.00 0.00 H new ATOM 0 HG SER A 75 -12.806 -2.536 5.645 1.00 0.00 H new ATOM 1132 N GLY A 76 -8.670 -5.642 3.687 1.00 0.00 N ATOM 1133 CA GLY A 76 -8.005 -6.931 3.720 1.00 0.00 C ATOM 1134 C GLY A 76 -6.569 -6.830 4.195 1.00 0.00 C ATOM 1135 O GLY A 76 -6.273 -6.115 5.152 1.00 0.00 O ATOM 0 H GLY A 76 -8.070 -4.857 3.434 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.556 -7.604 4.378 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -8.025 -7.372 2.724 1.00 0.00 H new ATOM 1139 N ARG A 77 -5.674 -7.550 3.525 1.00 0.00 N ATOM 1140 CA ARG A 77 -4.262 -7.540 3.885 1.00 0.00 C ATOM 1141 C ARG A 77 -3.392 -7.235 2.669 1.00 0.00 C ATOM 1142 O ARG A 77 -3.325 -8.026 1.728 1.00 0.00 O ATOM 1143 CB ARG A 77 -3.859 -8.887 4.489 1.00 0.00 C ATOM 1144 CG ARG A 77 -2.392 -8.964 4.881 1.00 0.00 C ATOM 1145 CD ARG A 77 -2.030 -10.340 5.417 1.00 0.00 C ATOM 1146 NE ARG A 77 -2.120 -11.370 4.385 1.00 0.00 N ATOM 1147 CZ ARG A 77 -1.720 -12.625 4.562 1.00 0.00 C ATOM 1148 NH1 ARG A 77 -1.208 -13.003 5.725 1.00 0.00 N ATOM 1149 NH2 ARG A 77 -1.834 -13.504 3.575 1.00 0.00 N ATOM 0 H ARG A 77 -5.903 -8.147 2.730 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.107 -6.756 4.626 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -4.472 -9.079 5.369 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.076 -9.677 3.771 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -1.771 -8.734 4.015 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -2.176 -8.209 5.637 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -1.017 -10.317 5.819 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -2.695 -10.594 6.242 1.00 0.00 H new ATOM 0 HE ARG A 77 -2.511 -11.112 3.479 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -1.120 -12.330 6.486 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -0.902 -13.967 5.858 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -2.229 -13.217 2.679 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -1.527 -14.467 3.712 1.00 0.00 H new ATOM 1163 N TYR A 78 -2.730 -6.084 2.696 1.00 0.00 N ATOM 1164 CA TYR A 78 -1.867 -5.673 1.595 1.00 0.00 C ATOM 1165 C TYR A 78 -0.432 -6.136 1.825 1.00 0.00 C ATOM 1166 O TYR A 78 -0.038 -6.438 2.951 1.00 0.00 O ATOM 1167 CB TYR A 78 -1.904 -4.153 1.430 1.00 0.00 C ATOM 1168 CG TYR A 78 -3.206 -3.636 0.861 1.00 0.00 C ATOM 1169 CD1 TYR A 78 -4.404 -3.813 1.543 1.00 0.00 C ATOM 1170 CD2 TYR A 78 -3.238 -2.971 -0.358 1.00 0.00 C ATOM 1171 CE1 TYR A 78 -5.596 -3.343 1.025 1.00 0.00 C ATOM 1172 CE2 TYR A 78 -4.425 -2.497 -0.883 1.00 0.00 C ATOM 1173 CZ TYR A 78 -5.601 -2.686 -0.187 1.00 0.00 C ATOM 1174 OH TYR A 78 -6.786 -2.216 -0.705 1.00 0.00 O ATOM 0 H TYR A 78 -2.774 -5.419 3.468 1.00 0.00 H new ATOM 0 HA TYR A 78 -2.238 -6.140 0.683 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -1.731 -3.687 2.400 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -1.086 -3.847 0.778 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -4.403 -4.326 2.493 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -2.319 -2.822 -0.905 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -6.519 -3.490 1.567 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -4.432 -1.982 -1.832 1.00 0.00 H new ATOM 0 HH TYR A 78 -6.616 -1.777 -1.564 1.00 0.00 H new ATOM 1184 N SER A 79 0.345 -6.190 0.748 1.00 0.00 N ATOM 1185 CA SER A 79 1.737 -6.619 0.830 1.00 0.00 C ATOM 1186 C SER A 79 2.559 -6.018 -0.306 1.00 0.00 C ATOM 1187 O SER A 79 2.009 -5.463 -1.258 1.00 0.00 O ATOM 1188 CB SER A 79 1.825 -8.146 0.786 1.00 0.00 C ATOM 1189 OG SER A 79 1.302 -8.721 1.971 1.00 0.00 O ATOM 0 H SER A 79 0.035 -5.942 -0.192 1.00 0.00 H new ATOM 0 HA SER A 79 2.145 -6.265 1.777 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.275 -8.520 -0.077 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.864 -8.450 0.658 1.00 0.00 H new ATOM 0 HG SER A 79 1.975 -8.675 2.682 1.00 0.00 H new ATOM 1195 N CYS A 80 3.878 -6.132 -0.198 1.00 0.00 N ATOM 1196 CA CYS A 80 4.777 -5.600 -1.215 1.00 0.00 C ATOM 1197 C CYS A 80 6.010 -6.485 -1.368 1.00 0.00 C ATOM 1198 O CYS A 80 6.685 -6.802 -0.389 1.00 0.00 O ATOM 1199 CB CYS A 80 5.200 -4.174 -0.856 1.00 0.00 C ATOM 1200 SG CYS A 80 5.711 -3.177 -2.275 1.00 0.00 S ATOM 0 H CYS A 80 4.348 -6.588 0.584 1.00 0.00 H new ATOM 0 HA CYS A 80 4.243 -5.585 -2.165 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.370 -3.675 -0.355 1.00 0.00 H new ATOM 0 HB3 CYS A 80 6.022 -4.219 -0.142 1.00 0.00 H new ATOM 0 HG CYS A 80 6.175 -3.955 -3.207 1.00 0.00 H new ATOM 1206 N SER A 81 6.296 -6.883 -2.604 1.00 0.00 N ATOM 1207 CA SER A 81 7.445 -7.736 -2.885 1.00 0.00 C ATOM 1208 C SER A 81 8.654 -6.902 -3.296 1.00 0.00 C ATOM 1209 O SER A 81 8.580 -6.095 -4.223 1.00 0.00 O ATOM 1210 CB SER A 81 7.103 -8.739 -3.988 1.00 0.00 C ATOM 1211 OG SER A 81 6.173 -9.705 -3.530 1.00 0.00 O ATOM 0 H SER A 81 5.748 -6.629 -3.426 1.00 0.00 H new ATOM 0 HA SER A 81 7.695 -8.280 -1.974 1.00 0.00 H new ATOM 0 HB2 SER A 81 6.690 -8.212 -4.848 1.00 0.00 H new ATOM 0 HB3 SER A 81 8.012 -9.237 -4.326 1.00 0.00 H new ATOM 0 HG SER A 81 5.970 -10.333 -4.255 1.00 0.00 H new ATOM 1217 N PHE A 82 9.768 -7.103 -2.600 1.00 0.00 N ATOM 1218 CA PHE A 82 10.994 -6.369 -2.891 1.00 0.00 C ATOM 1219 C PHE A 82 12.198 -7.042 -2.239 1.00 0.00 C ATOM 1220 O PHE A 82 12.144 -7.445 -1.077 1.00 0.00 O ATOM 1221 CB PHE A 82 10.877 -4.924 -2.404 1.00 0.00 C ATOM 1222 CG PHE A 82 12.203 -4.242 -2.223 1.00 0.00 C ATOM 1223 CD1 PHE A 82 13.054 -4.058 -3.301 1.00 0.00 C ATOM 1224 CD2 PHE A 82 12.599 -3.787 -0.976 1.00 0.00 C ATOM 1225 CE1 PHE A 82 14.275 -3.431 -3.139 1.00 0.00 C ATOM 1226 CE2 PHE A 82 13.819 -3.159 -0.808 1.00 0.00 C ATOM 1227 CZ PHE A 82 14.658 -2.982 -1.890 1.00 0.00 C ATOM 0 H PHE A 82 9.847 -7.768 -1.831 1.00 0.00 H new ATOM 0 HA PHE A 82 11.140 -6.369 -3.971 1.00 0.00 H new ATOM 0 HB2 PHE A 82 10.280 -4.356 -3.117 1.00 0.00 H new ATOM 0 HB3 PHE A 82 10.339 -4.911 -1.456 1.00 0.00 H new ATOM 0 HD1 PHE A 82 12.760 -4.409 -4.279 1.00 0.00 H new ATOM 0 HD2 PHE A 82 11.947 -3.924 -0.126 1.00 0.00 H new ATOM 0 HE1 PHE A 82 14.929 -3.292 -3.988 1.00 0.00 H new ATOM 0 HE2 PHE A 82 14.116 -2.807 0.169 1.00 0.00 H new ATOM 0 HZ PHE A 82 15.612 -2.493 -1.760 1.00 0.00 H new ATOM 1237 N GLY A 83 13.285 -7.161 -2.996 1.00 0.00 N ATOM 1238 CA GLY A 83 14.487 -7.785 -2.475 1.00 0.00 C ATOM 1239 C GLY A 83 14.206 -9.118 -1.809 1.00 0.00 C ATOM 1240 O GLY A 83 14.757 -9.419 -0.750 1.00 0.00 O ATOM 0 H GLY A 83 13.354 -6.836 -3.960 1.00 0.00 H new ATOM 0 HA2 GLY A 83 15.198 -7.931 -3.288 1.00 0.00 H new ATOM 0 HA3 GLY A 83 14.958 -7.115 -1.756 1.00 0.00 H new ATOM 1244 N ASP A 84 13.346 -9.918 -2.430 1.00 0.00 N ATOM 1245 CA ASP A 84 12.992 -11.225 -1.890 1.00 0.00 C ATOM 1246 C ASP A 84 12.310 -11.087 -0.533 1.00 0.00 C ATOM 1247 O ASP A 84 12.361 -11.997 0.293 1.00 0.00 O ATOM 1248 CB ASP A 84 14.238 -12.102 -1.762 1.00 0.00 C ATOM 1249 CG ASP A 84 14.897 -12.373 -3.100 1.00 0.00 C ATOM 1250 OD1 ASP A 84 15.304 -11.400 -3.769 1.00 0.00 O ATOM 1251 OD2 ASP A 84 15.005 -13.558 -3.479 1.00 0.00 O ATOM 0 H ASP A 84 12.881 -9.684 -3.307 1.00 0.00 H new ATOM 0 HA ASP A 84 12.293 -11.698 -2.580 1.00 0.00 H new ATOM 0 HB2 ASP A 84 14.954 -11.616 -1.100 1.00 0.00 H new ATOM 0 HB3 ASP A 84 13.965 -13.049 -1.296 1.00 0.00 H new ATOM 1256 N GLN A 85 11.673 -9.942 -0.310 1.00 0.00 N ATOM 1257 CA GLN A 85 10.983 -9.684 0.948 1.00 0.00 C ATOM 1258 C GLN A 85 9.524 -9.314 0.702 1.00 0.00 C ATOM 1259 O GLN A 85 9.212 -8.535 -0.199 1.00 0.00 O ATOM 1260 CB GLN A 85 11.683 -8.563 1.718 1.00 0.00 C ATOM 1261 CG GLN A 85 13.090 -8.922 2.168 1.00 0.00 C ATOM 1262 CD GLN A 85 13.113 -9.615 3.516 1.00 0.00 C ATOM 1263 OE1 GLN A 85 13.357 -10.818 3.604 1.00 0.00 O ATOM 1264 NE2 GLN A 85 12.859 -8.856 4.576 1.00 0.00 N ATOM 0 H GLN A 85 11.621 -9.178 -0.984 1.00 0.00 H new ATOM 0 HA GLN A 85 11.012 -10.597 1.543 1.00 0.00 H new ATOM 0 HB2 GLN A 85 11.727 -7.674 1.089 1.00 0.00 H new ATOM 0 HB3 GLN A 85 11.085 -8.306 2.592 1.00 0.00 H new ATOM 0 HG2 GLN A 85 13.551 -9.570 1.423 1.00 0.00 H new ATOM 0 HG3 GLN A 85 13.693 -8.016 2.219 1.00 0.00 H new ATOM 0 HE21 GLN A 85 12.662 -7.862 4.456 1.00 0.00 H new ATOM 0 HE22 GLN A 85 12.861 -9.267 5.510 1.00 0.00 H new ATOM 1273 N THR A 86 8.631 -9.877 1.511 1.00 0.00 N ATOM 1274 CA THR A 86 7.205 -9.607 1.381 1.00 0.00 C ATOM 1275 C THR A 86 6.624 -9.079 2.687 1.00 0.00 C ATOM 1276 O THR A 86 6.646 -9.763 3.711 1.00 0.00 O ATOM 1277 CB THR A 86 6.430 -10.871 0.961 1.00 0.00 C ATOM 1278 OG1 THR A 86 7.021 -11.441 -0.212 1.00 0.00 O ATOM 1279 CG2 THR A 86 4.969 -10.545 0.692 1.00 0.00 C ATOM 0 H THR A 86 8.871 -10.523 2.263 1.00 0.00 H new ATOM 0 HA THR A 86 7.096 -8.849 0.606 1.00 0.00 H new ATOM 0 HB THR A 86 6.481 -11.590 1.779 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.524 -12.245 -0.471 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.442 -11.452 0.397 1.00 0.00 H new ATOM 0 HG22 THR A 86 4.514 -10.139 1.596 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.902 -9.810 -0.110 1.00 0.00 H new ATOM 1287 N THR A 87 6.103 -7.856 2.646 1.00 0.00 N ATOM 1288 CA THR A 87 5.516 -7.236 3.827 1.00 0.00 C ATOM 1289 C THR A 87 4.005 -7.437 3.861 1.00 0.00 C ATOM 1290 O THR A 87 3.386 -7.737 2.840 1.00 0.00 O ATOM 1291 CB THR A 87 5.822 -5.727 3.880 1.00 0.00 C ATOM 1292 OG1 THR A 87 5.186 -5.138 5.019 1.00 0.00 O ATOM 1293 CG2 THR A 87 5.347 -5.034 2.612 1.00 0.00 C ATOM 0 H THR A 87 6.076 -7.276 1.807 1.00 0.00 H new ATOM 0 HA THR A 87 5.964 -7.722 4.694 1.00 0.00 H new ATOM 0 HB THR A 87 6.901 -5.600 3.962 1.00 0.00 H new ATOM 0 HG1 THR A 87 4.754 -4.299 4.755 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.574 -3.970 2.672 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.855 -5.465 1.750 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.271 -5.170 2.504 1.00 0.00 H new ATOM 1301 N SER A 88 3.416 -7.270 5.041 1.00 0.00 N ATOM 1302 CA SER A 88 1.977 -7.436 5.207 1.00 0.00 C ATOM 1303 C SER A 88 1.407 -6.356 6.121 1.00 0.00 C ATOM 1304 O SER A 88 2.010 -6.003 7.135 1.00 0.00 O ATOM 1305 CB SER A 88 1.666 -8.821 5.780 1.00 0.00 C ATOM 1306 OG SER A 88 2.211 -8.970 7.079 1.00 0.00 O ATOM 0 H SER A 88 3.913 -7.020 5.896 1.00 0.00 H new ATOM 0 HA SER A 88 1.509 -7.342 4.227 1.00 0.00 H new ATOM 0 HB2 SER A 88 0.587 -8.969 5.816 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.071 -9.590 5.122 1.00 0.00 H new ATOM 0 HG SER A 88 1.997 -9.862 7.423 1.00 0.00 H new ATOM 1312 N ALA A 89 0.242 -5.834 5.755 1.00 0.00 N ATOM 1313 CA ALA A 89 -0.412 -4.795 6.541 1.00 0.00 C ATOM 1314 C ALA A 89 -1.928 -4.956 6.512 1.00 0.00 C ATOM 1315 O ALA A 89 -2.455 -5.854 5.855 1.00 0.00 O ATOM 1316 CB ALA A 89 -0.014 -3.418 6.030 1.00 0.00 C ATOM 0 H ALA A 89 -0.269 -6.114 4.918 1.00 0.00 H new ATOM 0 HA ALA A 89 -0.083 -4.895 7.575 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -0.510 -2.652 6.626 1.00 0.00 H new ATOM 0 HB2 ALA A 89 1.066 -3.298 6.111 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -0.313 -3.316 4.987 1.00 0.00 H new ATOM 1322 N THR A 90 -2.625 -4.079 7.227 1.00 0.00 N ATOM 1323 CA THR A 90 -4.081 -4.124 7.284 1.00 0.00 C ATOM 1324 C THR A 90 -4.686 -2.756 6.991 1.00 0.00 C ATOM 1325 O THR A 90 -4.073 -1.723 7.265 1.00 0.00 O ATOM 1326 CB THR A 90 -4.574 -4.607 8.661 1.00 0.00 C ATOM 1327 OG1 THR A 90 -3.826 -5.756 9.075 1.00 0.00 O ATOM 1328 CG2 THR A 90 -6.056 -4.949 8.616 1.00 0.00 C ATOM 0 H THR A 90 -2.205 -3.328 7.775 1.00 0.00 H new ATOM 0 HA THR A 90 -4.405 -4.832 6.521 1.00 0.00 H new ATOM 0 HB THR A 90 -4.425 -3.800 9.379 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.145 -6.055 9.952 1.00 0.00 H new ATOM 0 HG21 THR A 90 -6.381 -5.288 9.600 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.625 -4.064 8.330 1.00 0.00 H new ATOM 0 HG23 THR A 90 -6.225 -5.740 7.886 1.00 0.00 H new ATOM 1336 N LEU A 91 -5.892 -2.755 6.434 1.00 0.00 N ATOM 1337 CA LEU A 91 -6.581 -1.512 6.105 1.00 0.00 C ATOM 1338 C LEU A 91 -8.042 -1.568 6.537 1.00 0.00 C ATOM 1339 O LEU A 91 -8.848 -2.291 5.950 1.00 0.00 O ATOM 1340 CB LEU A 91 -6.492 -1.240 4.602 1.00 0.00 C ATOM 1341 CG LEU A 91 -6.892 0.165 4.150 1.00 0.00 C ATOM 1342 CD1 LEU A 91 -5.959 1.205 4.750 1.00 0.00 C ATOM 1343 CD2 LEU A 91 -6.889 0.258 2.631 1.00 0.00 C ATOM 0 H LEU A 91 -6.413 -3.600 6.201 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.093 -0.701 6.645 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.468 -1.426 4.279 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -7.125 -1.961 4.084 1.00 0.00 H new ATOM 0 HG LEU A 91 -7.903 0.365 4.505 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.259 2.198 4.417 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.011 1.156 5.838 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.937 1.007 4.426 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -7.176 1.265 2.328 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.890 0.037 2.255 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -7.599 -0.461 2.221 1.00 0.00 H new ATOM 1355 N THR A 92 -8.379 -0.799 7.568 1.00 0.00 N ATOM 1356 CA THR A 92 -9.744 -0.760 8.079 1.00 0.00 C ATOM 1357 C THR A 92 -10.552 0.343 7.404 1.00 0.00 C ATOM 1358 O THR A 92 -10.188 1.517 7.463 1.00 0.00 O ATOM 1359 CB THR A 92 -9.767 -0.539 9.603 1.00 0.00 C ATOM 1360 OG1 THR A 92 -9.234 -1.687 10.272 1.00 0.00 O ATOM 1361 CG2 THR A 92 -11.183 -0.273 10.090 1.00 0.00 C ATOM 0 H THR A 92 -7.725 -0.195 8.066 1.00 0.00 H new ATOM 0 HA THR A 92 -10.194 -1.727 7.853 1.00 0.00 H new ATOM 0 HB THR A 92 -9.152 0.332 9.831 1.00 0.00 H new ATOM 0 HG1 THR A 92 -9.250 -1.538 11.240 1.00 0.00 H new ATOM 0 HG21 THR A 92 -11.174 -0.120 11.169 1.00 0.00 H new ATOM 0 HG22 THR A 92 -11.575 0.619 9.600 1.00 0.00 H new ATOM 0 HG23 THR A 92 -11.817 -1.127 9.850 1.00 0.00 H new ATOM 1369 N VAL A 93 -11.652 -0.043 6.765 1.00 0.00 N ATOM 1370 CA VAL A 93 -12.514 0.914 6.081 1.00 0.00 C ATOM 1371 C VAL A 93 -13.922 0.899 6.664 1.00 0.00 C ATOM 1372 O VAL A 93 -14.637 -0.099 6.565 1.00 0.00 O ATOM 1373 CB VAL A 93 -12.591 0.620 4.571 1.00 0.00 C ATOM 1374 CG1 VAL A 93 -13.523 1.605 3.882 1.00 0.00 C ATOM 1375 CG2 VAL A 93 -11.204 0.662 3.949 1.00 0.00 C ATOM 0 H VAL A 93 -11.967 -1.011 6.707 1.00 0.00 H new ATOM 0 HA VAL A 93 -12.074 1.900 6.229 1.00 0.00 H new ATOM 0 HB VAL A 93 -12.996 -0.383 4.434 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -13.565 1.382 2.816 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -14.522 1.521 4.310 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -13.151 2.619 4.026 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -11.277 0.452 2.882 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -10.769 1.651 4.095 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -10.570 -0.087 4.423 1.00 0.00 H new ATOM 1385 N THR A 94 -14.317 2.014 7.271 1.00 0.00 N ATOM 1386 CA THR A 94 -15.641 2.130 7.871 1.00 0.00 C ATOM 1387 C THR A 94 -16.691 2.478 6.822 1.00 0.00 C ATOM 1388 O THR A 94 -16.493 3.378 6.007 1.00 0.00 O ATOM 1389 CB THR A 94 -15.664 3.200 8.978 1.00 0.00 C ATOM 1390 OG1 THR A 94 -14.495 3.083 9.797 1.00 0.00 O ATOM 1391 CG2 THR A 94 -16.909 3.059 9.841 1.00 0.00 C ATOM 0 H THR A 94 -13.739 2.850 7.360 1.00 0.00 H new ATOM 0 HA THR A 94 -15.876 1.160 8.309 1.00 0.00 H new ATOM 0 HB THR A 94 -15.679 4.181 8.504 1.00 0.00 H new ATOM 0 HG1 THR A 94 -14.516 3.768 10.497 1.00 0.00 H new ATOM 0 HG21 THR A 94 -16.903 3.825 10.616 1.00 0.00 H new ATOM 0 HG22 THR A 94 -17.797 3.177 9.220 1.00 0.00 H new ATOM 0 HG23 THR A 94 -16.920 2.073 10.306 1.00 0.00 H new ATOM 1399 N ALA A 95 -17.808 1.759 6.849 1.00 0.00 N ATOM 1400 CA ALA A 95 -18.891 1.993 5.902 1.00 0.00 C ATOM 1401 C ALA A 95 -19.622 3.294 6.216 1.00 0.00 C ATOM 1402 O ALA A 95 -19.971 3.560 7.367 1.00 0.00 O ATOM 1403 CB ALA A 95 -19.864 0.824 5.911 1.00 0.00 C ATOM 0 H ALA A 95 -17.987 1.009 7.517 1.00 0.00 H new ATOM 0 HA ALA A 95 -18.456 2.081 4.906 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -20.667 1.014 5.199 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -19.339 -0.089 5.631 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -20.285 0.708 6.910 1.00 0.00 H new ATOM 1409 N LEU A 96 -19.851 4.102 5.186 1.00 0.00 N ATOM 1410 CA LEU A 96 -20.540 5.377 5.352 1.00 0.00 C ATOM 1411 C LEU A 96 -21.690 5.249 6.346 1.00 0.00 C ATOM 1412 O LEU A 96 -22.359 4.218 6.430 1.00 0.00 O ATOM 1413 CB LEU A 96 -21.069 5.873 4.005 1.00 0.00 C ATOM 1414 CG LEU A 96 -20.022 6.421 3.034 1.00 0.00 C ATOM 1415 CD1 LEU A 96 -20.589 6.495 1.625 1.00 0.00 C ATOM 1416 CD2 LEU A 96 -19.538 7.790 3.489 1.00 0.00 C ATOM 0 H LEU A 96 -19.570 3.897 4.227 1.00 0.00 H new ATOM 0 HA LEU A 96 -19.824 6.100 5.743 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -21.592 5.050 3.518 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -21.806 6.654 4.192 1.00 0.00 H new ATOM 0 HG LEU A 96 -19.170 5.741 3.026 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -19.830 6.887 0.948 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -20.886 5.498 1.299 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -21.458 7.153 1.617 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -18.794 8.165 2.787 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -20.381 8.480 3.527 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -19.092 7.707 4.480 1.00 0.00 H new ATOM 1428 N PRO A 97 -21.928 6.320 7.117 1.00 0.00 N ATOM 1429 CA PRO A 97 -22.999 6.353 8.118 1.00 0.00 C ATOM 1430 C PRO A 97 -24.385 6.380 7.483 1.00 0.00 C ATOM 1431 O PRO A 97 -24.518 6.514 6.266 1.00 0.00 O ATOM 1432 CB PRO A 97 -22.734 7.654 8.879 1.00 0.00 C ATOM 1433 CG PRO A 97 -21.998 8.516 7.911 1.00 0.00 C ATOM 1434 CD PRO A 97 -21.170 7.582 7.072 1.00 0.00 C ATOM 0 HA PRO A 97 -22.993 5.465 8.750 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -23.665 8.123 9.198 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -22.143 7.474 9.777 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -22.690 9.087 7.292 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -21.367 9.237 8.431 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -21.061 7.949 6.051 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -20.165 7.462 7.477 1.00 0.00 H new ATOM 1442 N SER A 98 -25.414 6.252 8.314 1.00 0.00 N ATOM 1443 CA SER A 98 -26.791 6.258 7.832 1.00 0.00 C ATOM 1444 C SER A 98 -27.563 7.441 8.410 1.00 0.00 C ATOM 1445 O SER A 98 -28.347 8.084 7.714 1.00 0.00 O ATOM 1446 CB SER A 98 -27.489 4.949 8.203 1.00 0.00 C ATOM 1447 OG SER A 98 -28.813 4.916 7.698 1.00 0.00 O ATOM 0 H SER A 98 -25.321 6.143 9.324 1.00 0.00 H new ATOM 0 HA SER A 98 -26.770 6.355 6.747 1.00 0.00 H new ATOM 0 HB2 SER A 98 -26.924 4.106 7.805 1.00 0.00 H new ATOM 0 HB3 SER A 98 -27.507 4.837 9.287 1.00 0.00 H new ATOM 0 HG SER A 98 -29.237 4.068 7.947 1.00 0.00 H new ATOM 1453 N GLY A 99 -27.334 7.721 9.689 1.00 0.00 N ATOM 1454 CA GLY A 99 -28.015 8.825 10.340 1.00 0.00 C ATOM 1455 C GLY A 99 -27.350 9.231 11.640 1.00 0.00 C ATOM 1456 O GLY A 99 -26.175 8.949 11.876 1.00 0.00 O ATOM 0 H GLY A 99 -26.689 7.203 10.286 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -28.040 9.681 9.666 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -29.050 8.544 10.537 1.00 0.00 H new ATOM 1460 N PRO A 100 -28.110 9.911 12.511 1.00 0.00 N ATOM 1461 CA PRO A 100 -27.607 10.372 13.809 1.00 0.00 C ATOM 1462 C PRO A 100 -27.358 9.220 14.776 1.00 0.00 C ATOM 1463 O PRO A 100 -26.374 9.220 15.516 1.00 0.00 O ATOM 1464 CB PRO A 100 -28.733 11.271 14.326 1.00 0.00 C ATOM 1465 CG PRO A 100 -29.961 10.768 13.649 1.00 0.00 C ATOM 1466 CD PRO A 100 -29.518 10.283 12.297 1.00 0.00 C ATOM 0 HA PRO A 100 -26.646 10.879 13.718 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -28.824 11.207 15.410 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -28.547 12.317 14.083 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -30.420 9.962 14.222 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -30.707 11.558 13.556 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -30.111 9.433 11.961 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -29.617 11.060 11.539 1.00 0.00 H new ATOM 1474 N SER A 101 -28.255 8.239 14.765 1.00 0.00 N ATOM 1475 CA SER A 101 -28.133 7.082 15.645 1.00 0.00 C ATOM 1476 C SER A 101 -26.669 6.710 15.853 1.00 0.00 C ATOM 1477 O SER A 101 -26.163 6.736 16.975 1.00 0.00 O ATOM 1478 CB SER A 101 -28.897 5.891 15.063 1.00 0.00 C ATOM 1479 OG SER A 101 -30.220 6.256 14.711 1.00 0.00 O ATOM 0 H SER A 101 -29.074 8.222 14.157 1.00 0.00 H new ATOM 0 HA SER A 101 -28.563 7.344 16.612 1.00 0.00 H new ATOM 0 HB2 SER A 101 -28.374 5.514 14.184 1.00 0.00 H new ATOM 0 HB3 SER A 101 -28.922 5.080 15.791 1.00 0.00 H new ATOM 0 HG SER A 101 -30.686 5.478 14.340 1.00 0.00 H new ATOM 1485 N SER A 102 -25.992 6.363 14.762 1.00 0.00 N ATOM 1486 CA SER A 102 -24.586 5.981 14.824 1.00 0.00 C ATOM 1487 C SER A 102 -23.684 7.193 14.616 1.00 0.00 C ATOM 1488 O SER A 102 -23.525 7.678 13.496 1.00 0.00 O ATOM 1489 CB SER A 102 -24.279 4.915 13.771 1.00 0.00 C ATOM 1490 OG SER A 102 -23.203 4.088 14.180 1.00 0.00 O ATOM 0 H SER A 102 -26.395 6.339 13.825 1.00 0.00 H new ATOM 0 HA SER A 102 -24.390 5.570 15.814 1.00 0.00 H new ATOM 0 HB2 SER A 102 -25.165 4.305 13.598 1.00 0.00 H new ATOM 0 HB3 SER A 102 -24.033 5.395 12.824 1.00 0.00 H new ATOM 0 HG SER A 102 -23.028 3.414 13.490 1.00 0.00 H new ATOM 1496 N GLY A 103 -23.095 7.679 15.705 1.00 0.00 N ATOM 1497 CA GLY A 103 -22.216 8.831 15.621 1.00 0.00 C ATOM 1498 C GLY A 103 -21.036 8.730 16.568 1.00 0.00 C ATOM 1499 O GLY A 103 -20.955 7.802 17.372 1.00 0.00 O ATOM 0 H GLY A 103 -23.211 7.296 16.643 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -21.850 8.931 14.599 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -22.783 9.734 15.847 1.00 0.00 H new TER 1503 GLY A 103