USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 835 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 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 62 HIS : no HD1:sc= -1.96 K(o=-2,f=-5.9) USER MOD Single : A 1 GLY N :NH3+ 130:sc= 0.0261 (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 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 162:sc= -0.943 (180deg=-1.53!) USER MOD Single : A 14 HIS : no HD1:sc= -3.2! C(o=-3.2!,f=-6.2!) USER MOD Single : A 22 ASN : amide:sc= -1.38 K(o=-1.4,f=-0.16) USER MOD Single : A 23 MET CE :methyl -140:sc= -4.77 (180deg=-11.3!) USER MOD Single : A 25 HIS : no HD1:sc= -3.09! C(o=-3.1!,f=-7!) USER MOD Single : A 27 MET CE :methyl -167:sc= -2.49! (180deg=-2.93!) USER MOD Single : A 37 ASN : amide:sc= -0.307 X(o=-0.31,f=-0.19) USER MOD Single : A 47 CYS SG : rot 94:sc= -6.04! USER MOD Single : A 48 SER OG : rot 24:sc= 0.434 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 55 LYS NZ :NH3+ 173:sc= -0.524 (180deg=-0.599) USER MOD Single : A 68 SER OG : rot 180:sc= -1.72! USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot -78:sc= -3.07! USER MOD Single : A 82 GLN : amide:sc= -0.859 X(o=-0.86,f=-0.92) USER MOD Single : A 83 THR OG1 : rot 117:sc= 0.551 USER MOD Single : A 93 GLN : amide:sc= -2.05! C(o=-2.1!,f=-2.4!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -10.3! C(o=-10!,f=-4.9!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot -141:sc= 1.61 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -1.12 K(o=-1.1,f=-1.8) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.551 0.051 -28.621 1.00 0.00 N ATOM 2 CA GLY A 1 12.642 0.468 -27.760 1.00 0.00 C ATOM 3 C GLY A 1 12.691 1.971 -27.572 1.00 0.00 C ATOM 4 O GLY A 1 12.300 2.727 -28.461 1.00 0.00 O ATOM 0 H1 GLY A 1 11.914 -0.590 -29.355 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.831 -0.443 -28.055 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.125 0.886 -29.071 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.538 -0.013 -26.788 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.586 0.127 -28.185 1.00 0.00 H new ATOM 8 N SER A 2 13.171 2.406 -26.411 1.00 0.00 N ATOM 9 CA SER A 2 13.264 3.829 -26.108 1.00 0.00 C ATOM 10 C SER A 2 14.618 4.165 -25.489 1.00 0.00 C ATOM 11 O SER A 2 14.990 3.621 -24.449 1.00 0.00 O ATOM 12 CB SER A 2 12.139 4.244 -25.157 1.00 0.00 C ATOM 13 OG SER A 2 11.939 5.647 -25.186 1.00 0.00 O ATOM 0 H SER A 2 13.501 1.793 -25.665 1.00 0.00 H new ATOM 0 HA SER A 2 13.163 4.382 -27.042 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.216 3.736 -25.437 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.381 3.929 -24.142 1.00 0.00 H new ATOM 0 HG SER A 2 11.214 5.887 -24.572 1.00 0.00 H new ATOM 19 N SER A 3 15.350 5.065 -26.138 1.00 0.00 N ATOM 20 CA SER A 3 16.665 5.471 -25.655 1.00 0.00 C ATOM 21 C SER A 3 16.603 6.850 -25.006 1.00 0.00 C ATOM 22 O SER A 3 16.816 7.868 -25.663 1.00 0.00 O ATOM 23 CB SER A 3 17.673 5.482 -26.806 1.00 0.00 C ATOM 24 OG SER A 3 18.110 4.169 -27.113 1.00 0.00 O ATOM 0 H SER A 3 15.055 5.526 -26.999 1.00 0.00 H new ATOM 0 HA SER A 3 16.988 4.749 -24.905 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.218 5.933 -27.688 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.530 6.100 -26.538 1.00 0.00 H new ATOM 0 HG SER A 3 18.752 4.202 -27.853 1.00 0.00 H new ATOM 30 N GLY A 4 16.308 6.874 -23.709 1.00 0.00 N ATOM 31 CA GLY A 4 16.222 8.133 -22.991 1.00 0.00 C ATOM 32 C GLY A 4 16.492 7.974 -21.508 1.00 0.00 C ATOM 33 O GLY A 4 17.590 7.587 -21.108 1.00 0.00 O ATOM 0 H GLY A 4 16.127 6.045 -23.143 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.937 8.838 -23.414 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.230 8.562 -23.133 1.00 0.00 H new ATOM 37 N SER A 5 15.489 8.275 -20.690 1.00 0.00 N ATOM 38 CA SER A 5 15.625 8.169 -19.242 1.00 0.00 C ATOM 39 C SER A 5 16.114 6.779 -18.843 1.00 0.00 C ATOM 40 O SER A 5 16.992 6.639 -17.993 1.00 0.00 O ATOM 41 CB SER A 5 14.289 8.468 -18.560 1.00 0.00 C ATOM 42 OG SER A 5 14.138 9.856 -18.320 1.00 0.00 O ATOM 0 H SER A 5 14.573 8.594 -21.005 1.00 0.00 H new ATOM 0 HA SER A 5 16.363 8.902 -18.916 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.470 8.113 -19.186 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.229 7.924 -17.617 1.00 0.00 H new ATOM 0 HG SER A 5 13.275 10.021 -17.885 1.00 0.00 H new ATOM 48 N SER A 6 15.536 5.755 -19.463 1.00 0.00 N ATOM 49 CA SER A 6 15.909 4.376 -19.171 1.00 0.00 C ATOM 50 C SER A 6 17.099 3.943 -20.021 1.00 0.00 C ATOM 51 O SER A 6 16.934 3.447 -21.135 1.00 0.00 O ATOM 52 CB SER A 6 14.723 3.442 -19.420 1.00 0.00 C ATOM 53 OG SER A 6 13.631 3.769 -18.579 1.00 0.00 O ATOM 0 H SER A 6 14.808 5.854 -20.170 1.00 0.00 H new ATOM 0 HA SER A 6 16.195 4.317 -18.121 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.415 3.510 -20.463 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.026 2.410 -19.243 1.00 0.00 H new ATOM 0 HG SER A 6 12.885 3.159 -18.759 1.00 0.00 H new ATOM 59 N GLY A 7 18.302 4.135 -19.487 1.00 0.00 N ATOM 60 CA GLY A 7 19.503 3.760 -20.209 1.00 0.00 C ATOM 61 C GLY A 7 20.359 2.775 -19.437 1.00 0.00 C ATOM 62 O GLY A 7 21.585 2.881 -19.428 1.00 0.00 O ATOM 0 H GLY A 7 18.465 4.544 -18.567 1.00 0.00 H new ATOM 0 HA2 GLY A 7 19.225 3.322 -21.168 1.00 0.00 H new ATOM 0 HA3 GLY A 7 20.088 4.654 -20.425 1.00 0.00 H new ATOM 66 N GLY A 8 19.712 1.813 -18.787 1.00 0.00 N ATOM 67 CA GLY A 8 20.438 0.820 -18.016 1.00 0.00 C ATOM 68 C GLY A 8 20.349 1.066 -16.523 1.00 0.00 C ATOM 69 O GLY A 8 19.573 1.900 -16.055 1.00 0.00 O ATOM 0 H GLY A 8 18.698 1.703 -18.780 1.00 0.00 H new ATOM 0 HA2 GLY A 8 20.043 -0.171 -18.242 1.00 0.00 H new ATOM 0 HA3 GLY A 8 21.485 0.823 -18.320 1.00 0.00 H new ATOM 73 N PRO A 9 21.157 0.327 -15.749 1.00 0.00 N ATOM 74 CA PRO A 9 21.183 0.450 -14.288 1.00 0.00 C ATOM 75 C PRO A 9 21.790 1.772 -13.829 1.00 0.00 C ATOM 76 O PRO A 9 23.011 1.917 -13.768 1.00 0.00 O ATOM 77 CB PRO A 9 22.063 -0.723 -13.849 1.00 0.00 C ATOM 78 CG PRO A 9 22.934 -1.004 -15.024 1.00 0.00 C ATOM 79 CD PRO A 9 22.107 -0.686 -16.239 1.00 0.00 C ATOM 0 HA PRO A 9 20.181 0.433 -13.859 1.00 0.00 H new ATOM 0 HB2 PRO A 9 22.655 -0.467 -12.970 1.00 0.00 H new ATOM 0 HB3 PRO A 9 21.461 -1.593 -13.586 1.00 0.00 H new ATOM 0 HG2 PRO A 9 23.836 -0.393 -14.996 1.00 0.00 H new ATOM 0 HG3 PRO A 9 23.254 -2.046 -15.032 1.00 0.00 H new ATOM 0 HD2 PRO A 9 22.721 -0.301 -17.053 1.00 0.00 H new ATOM 0 HD3 PRO A 9 21.593 -1.569 -16.618 1.00 0.00 H new ATOM 87 N SER A 10 20.930 2.732 -13.506 1.00 0.00 N ATOM 88 CA SER A 10 21.381 4.043 -13.055 1.00 0.00 C ATOM 89 C SER A 10 20.858 4.346 -11.655 1.00 0.00 C ATOM 90 O SER A 10 19.755 3.937 -11.290 1.00 0.00 O ATOM 91 CB SER A 10 20.920 5.128 -14.030 1.00 0.00 C ATOM 92 OG SER A 10 21.480 6.386 -13.696 1.00 0.00 O ATOM 0 H SER A 10 19.916 2.627 -13.548 1.00 0.00 H new ATOM 0 HA SER A 10 22.470 4.033 -13.022 1.00 0.00 H new ATOM 0 HB2 SER A 10 21.209 4.856 -15.045 1.00 0.00 H new ATOM 0 HB3 SER A 10 19.832 5.196 -14.016 1.00 0.00 H new ATOM 0 HG SER A 10 21.171 7.062 -14.335 1.00 0.00 H new ATOM 98 N ARG A 11 21.657 5.066 -10.874 1.00 0.00 N ATOM 99 CA ARG A 11 21.276 5.424 -9.513 1.00 0.00 C ATOM 100 C ARG A 11 20.741 6.852 -9.456 1.00 0.00 C ATOM 101 O ARG A 11 21.418 7.795 -9.862 1.00 0.00 O ATOM 102 CB ARG A 11 22.472 5.278 -8.571 1.00 0.00 C ATOM 103 CG ARG A 11 23.565 6.308 -8.810 1.00 0.00 C ATOM 104 CD ARG A 11 24.936 5.759 -8.448 1.00 0.00 C ATOM 105 NE ARG A 11 25.890 6.823 -8.149 1.00 0.00 N ATOM 106 CZ ARG A 11 27.195 6.621 -8.002 1.00 0.00 C ATOM 107 NH1 ARG A 11 27.698 5.401 -8.126 1.00 0.00 N ATOM 108 NH2 ARG A 11 27.999 7.641 -7.730 1.00 0.00 N ATOM 0 H ARG A 11 22.572 5.413 -11.161 1.00 0.00 H new ATOM 0 HA ARG A 11 20.485 4.745 -9.193 1.00 0.00 H new ATOM 0 HB2 ARG A 11 22.125 5.361 -7.541 1.00 0.00 H new ATOM 0 HB3 ARG A 11 22.894 4.280 -8.685 1.00 0.00 H new ATOM 0 HG2 ARG A 11 23.558 6.611 -9.857 1.00 0.00 H new ATOM 0 HG3 ARG A 11 23.361 7.200 -8.218 1.00 0.00 H new ATOM 0 HD2 ARG A 11 24.846 5.100 -7.585 1.00 0.00 H new ATOM 0 HD3 ARG A 11 25.314 5.155 -9.273 1.00 0.00 H new ATOM 0 HE ARG A 11 25.535 7.774 -8.047 1.00 0.00 H new ATOM 0 HH11 ARG A 11 27.083 4.615 -8.335 1.00 0.00 H new ATOM 0 HH12 ARG A 11 28.700 5.249 -8.013 1.00 0.00 H new ATOM 0 HH21 ARG A 11 27.615 8.581 -7.634 1.00 0.00 H new ATOM 0 HH22 ARG A 11 29.001 7.485 -7.617 1.00 0.00 H new ATOM 122 N MET A 12 19.521 7.001 -8.948 1.00 0.00 N ATOM 123 CA MET A 12 18.896 8.313 -8.837 1.00 0.00 C ATOM 124 C MET A 12 19.263 8.981 -7.515 1.00 0.00 C ATOM 125 O MET A 12 19.006 8.436 -6.442 1.00 0.00 O ATOM 126 CB MET A 12 17.376 8.189 -8.954 1.00 0.00 C ATOM 127 CG MET A 12 16.899 7.852 -10.358 1.00 0.00 C ATOM 128 SD MET A 12 16.792 6.076 -10.647 1.00 0.00 S ATOM 129 CE MET A 12 15.596 5.602 -9.401 1.00 0.00 C ATOM 0 H MET A 12 18.947 6.230 -8.607 1.00 0.00 H new ATOM 0 HA MET A 12 19.267 8.934 -9.652 1.00 0.00 H new ATOM 0 HB2 MET A 12 17.029 7.418 -8.266 1.00 0.00 H new ATOM 0 HB3 MET A 12 16.918 9.127 -8.639 1.00 0.00 H new ATOM 0 HG2 MET A 12 15.920 8.303 -10.523 1.00 0.00 H new ATOM 0 HG3 MET A 12 17.580 8.294 -11.085 1.00 0.00 H new ATOM 0 HE1 MET A 12 15.184 4.623 -9.646 1.00 0.00 H new ATOM 0 HE2 MET A 12 16.083 5.557 -8.427 1.00 0.00 H new ATOM 0 HE3 MET A 12 14.791 6.337 -9.371 1.00 0.00 H new ATOM 139 N ARG A 13 19.866 10.162 -7.601 1.00 0.00 N ATOM 140 CA ARG A 13 20.270 10.902 -6.412 1.00 0.00 C ATOM 141 C ARG A 13 19.197 11.908 -6.007 1.00 0.00 C ATOM 142 O ARG A 13 19.351 13.113 -6.212 1.00 0.00 O ATOM 143 CB ARG A 13 21.595 11.625 -6.661 1.00 0.00 C ATOM 144 CG ARG A 13 22.176 12.277 -5.416 1.00 0.00 C ATOM 145 CD ARG A 13 23.089 13.440 -5.771 1.00 0.00 C ATOM 146 NE ARG A 13 22.343 14.577 -6.305 1.00 0.00 N ATOM 147 CZ ARG A 13 22.905 15.569 -6.986 1.00 0.00 C ATOM 148 NH1 ARG A 13 24.211 15.564 -7.216 1.00 0.00 N ATOM 149 NH2 ARG A 13 22.160 16.570 -7.440 1.00 0.00 N ATOM 0 H ARG A 13 20.086 10.627 -8.482 1.00 0.00 H new ATOM 0 HA ARG A 13 20.401 10.189 -5.598 1.00 0.00 H new ATOM 0 HB2 ARG A 13 22.318 10.914 -7.060 1.00 0.00 H new ATOM 0 HB3 ARG A 13 21.445 12.388 -7.424 1.00 0.00 H new ATOM 0 HG2 ARG A 13 21.366 12.630 -4.777 1.00 0.00 H new ATOM 0 HG3 ARG A 13 22.734 11.537 -4.843 1.00 0.00 H new ATOM 0 HD2 ARG A 13 23.640 13.752 -4.884 1.00 0.00 H new ATOM 0 HD3 ARG A 13 23.825 13.112 -6.505 1.00 0.00 H new ATOM 0 HE ARG A 13 21.336 14.611 -6.146 1.00 0.00 H new ATOM 0 HH11 ARG A 13 24.787 14.797 -6.870 1.00 0.00 H new ATOM 0 HH12 ARG A 13 24.640 16.327 -7.739 1.00 0.00 H new ATOM 0 HH21 ARG A 13 21.155 16.578 -7.266 1.00 0.00 H new ATOM 0 HH22 ARG A 13 22.593 17.331 -7.963 1.00 0.00 H new ATOM 163 N HIS A 14 18.109 11.406 -5.432 1.00 0.00 N ATOM 164 CA HIS A 14 17.009 12.261 -4.998 1.00 0.00 C ATOM 165 C HIS A 14 16.078 11.510 -4.051 1.00 0.00 C ATOM 166 O HIS A 14 16.058 10.280 -4.032 1.00 0.00 O ATOM 167 CB HIS A 14 16.224 12.771 -6.207 1.00 0.00 C ATOM 168 CG HIS A 14 15.614 11.677 -7.029 1.00 0.00 C ATOM 169 ND1 HIS A 14 14.833 10.677 -6.490 1.00 0.00 N ATOM 170 CD2 HIS A 14 15.673 11.432 -8.359 1.00 0.00 C ATOM 171 CE1 HIS A 14 14.439 9.862 -7.453 1.00 0.00 C ATOM 172 NE2 HIS A 14 14.935 10.299 -8.597 1.00 0.00 N ATOM 0 H HIS A 14 17.965 10.412 -5.256 1.00 0.00 H new ATOM 0 HA HIS A 14 17.432 13.112 -4.464 1.00 0.00 H new ATOM 0 HB2 HIS A 14 15.434 13.439 -5.862 1.00 0.00 H new ATOM 0 HB3 HIS A 14 16.888 13.362 -6.838 1.00 0.00 H new ATOM 0 HD2 HIS A 14 16.202 12.018 -9.096 1.00 0.00 H new ATOM 0 HE1 HIS A 14 13.818 8.988 -7.326 1.00 0.00 H new ATOM 0 HE2 HIS A 14 14.793 9.865 -9.509 1.00 0.00 H new ATOM 180 N GLU A 15 15.309 12.259 -3.268 1.00 0.00 N ATOM 181 CA GLU A 15 14.377 11.663 -2.318 1.00 0.00 C ATOM 182 C GLU A 15 12.937 12.037 -2.660 1.00 0.00 C ATOM 183 O GLU A 15 12.526 13.185 -2.490 1.00 0.00 O ATOM 184 CB GLU A 15 14.707 12.113 -0.894 1.00 0.00 C ATOM 185 CG GLU A 15 13.882 11.414 0.173 1.00 0.00 C ATOM 186 CD GLU A 15 14.278 9.962 0.359 1.00 0.00 C ATOM 187 OE1 GLU A 15 15.313 9.708 1.009 1.00 0.00 O ATOM 188 OE2 GLU A 15 13.552 9.080 -0.146 1.00 0.00 O ATOM 0 H GLU A 15 15.313 13.279 -3.272 1.00 0.00 H new ATOM 0 HA GLU A 15 14.478 10.580 -2.381 1.00 0.00 H new ATOM 0 HB2 GLU A 15 15.764 11.931 -0.701 1.00 0.00 H new ATOM 0 HB3 GLU A 15 14.549 13.189 -0.816 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.997 11.942 1.120 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.827 11.467 -0.096 1.00 0.00 H new ATOM 195 N ARG A 16 12.177 11.060 -3.144 1.00 0.00 N ATOM 196 CA ARG A 16 10.785 11.286 -3.512 1.00 0.00 C ATOM 197 C ARG A 16 9.890 10.182 -2.957 1.00 0.00 C ATOM 198 O ARG A 16 9.638 9.178 -3.623 1.00 0.00 O ATOM 199 CB ARG A 16 10.642 11.356 -5.033 1.00 0.00 C ATOM 200 CG ARG A 16 11.367 12.537 -5.659 1.00 0.00 C ATOM 201 CD ARG A 16 10.694 13.854 -5.307 1.00 0.00 C ATOM 202 NE ARG A 16 11.547 15.001 -5.603 1.00 0.00 N ATOM 203 CZ ARG A 16 11.283 16.238 -5.197 1.00 0.00 C ATOM 204 NH1 ARG A 16 10.196 16.486 -4.480 1.00 0.00 N ATOM 205 NH2 ARG A 16 12.109 17.230 -5.506 1.00 0.00 N ATOM 0 H ARG A 16 12.502 10.104 -3.290 1.00 0.00 H new ATOM 0 HA ARG A 16 10.471 12.236 -3.080 1.00 0.00 H new ATOM 0 HB2 ARG A 16 11.025 10.433 -5.468 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.584 11.414 -5.288 1.00 0.00 H new ATOM 0 HG2 ARG A 16 12.402 12.553 -5.317 1.00 0.00 H new ATOM 0 HG3 ARG A 16 11.391 12.418 -6.742 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.760 13.944 -5.862 1.00 0.00 H new ATOM 0 HD3 ARG A 16 10.436 13.858 -4.248 1.00 0.00 H new ATOM 0 HE ARG A 16 12.392 14.844 -6.152 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.560 15.726 -4.239 1.00 0.00 H new ATOM 0 HH12 ARG A 16 9.996 17.437 -4.170 1.00 0.00 H new ATOM 0 HH21 ARG A 16 12.948 17.043 -6.056 1.00 0.00 H new ATOM 0 HH22 ARG A 16 11.905 18.179 -5.194 1.00 0.00 H new ATOM 219 N VAL A 17 9.411 10.375 -1.731 1.00 0.00 N ATOM 220 CA VAL A 17 8.544 9.397 -1.086 1.00 0.00 C ATOM 221 C VAL A 17 7.435 10.082 -0.295 1.00 0.00 C ATOM 222 O VAL A 17 7.674 11.067 0.403 1.00 0.00 O ATOM 223 CB VAL A 17 9.340 8.477 -0.142 1.00 0.00 C ATOM 224 CG1 VAL A 17 8.430 7.423 0.470 1.00 0.00 C ATOM 225 CG2 VAL A 17 10.499 7.828 -0.883 1.00 0.00 C ATOM 0 H VAL A 17 9.609 11.200 -1.165 1.00 0.00 H new ATOM 0 HA VAL A 17 8.101 8.795 -1.880 1.00 0.00 H new ATOM 0 HB VAL A 17 9.749 9.082 0.667 1.00 0.00 H new ATOM 0 HG11 VAL A 17 9.010 6.782 1.134 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.638 7.911 1.038 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.989 6.819 -0.323 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.051 7.181 -0.201 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.114 7.236 -1.713 1.00 0.00 H new ATOM 0 HG23 VAL A 17 11.164 8.601 -1.267 1.00 0.00 H new ATOM 235 N VAL A 18 6.221 9.553 -0.409 1.00 0.00 N ATOM 236 CA VAL A 18 5.074 10.113 0.296 1.00 0.00 C ATOM 237 C VAL A 18 4.626 9.197 1.430 1.00 0.00 C ATOM 238 O VAL A 18 4.638 7.973 1.294 1.00 0.00 O ATOM 239 CB VAL A 18 3.889 10.349 -0.658 1.00 0.00 C ATOM 240 CG1 VAL A 18 4.371 10.940 -1.973 1.00 0.00 C ATOM 241 CG2 VAL A 18 3.129 9.052 -0.894 1.00 0.00 C ATOM 0 H VAL A 18 6.006 8.737 -0.983 1.00 0.00 H new ATOM 0 HA VAL A 18 5.393 11.070 0.710 1.00 0.00 H new ATOM 0 HB VAL A 18 3.209 11.063 -0.194 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.519 11.100 -2.634 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.867 11.892 -1.784 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.073 10.253 -2.445 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.295 9.237 -1.571 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.798 8.314 -1.336 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.749 8.675 0.056 1.00 0.00 H new ATOM 251 N ILE A 19 4.231 9.797 2.547 1.00 0.00 N ATOM 252 CA ILE A 19 3.777 9.035 3.704 1.00 0.00 C ATOM 253 C ILE A 19 2.262 9.117 3.855 1.00 0.00 C ATOM 254 O ILE A 19 1.653 10.147 3.566 1.00 0.00 O ATOM 255 CB ILE A 19 4.439 9.534 5.002 1.00 0.00 C ATOM 256 CG1 ILE A 19 5.943 9.720 4.794 1.00 0.00 C ATOM 257 CG2 ILE A 19 4.173 8.560 6.140 1.00 0.00 C ATOM 258 CD1 ILE A 19 6.606 8.552 4.098 1.00 0.00 C ATOM 0 H ILE A 19 4.216 10.809 2.676 1.00 0.00 H new ATOM 0 HA ILE A 19 4.068 7.998 3.533 1.00 0.00 H new ATOM 0 HB ILE A 19 4.006 10.499 5.266 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.112 10.624 4.209 1.00 0.00 H new ATOM 0 HG13 ILE A 19 6.419 9.873 5.762 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.647 8.926 7.051 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.098 8.472 6.300 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.583 7.582 5.886 1.00 0.00 H new ATOM 0 HD11 ILE A 19 7.671 8.753 3.984 1.00 0.00 H new ATOM 0 HD12 ILE A 19 6.469 7.649 4.692 1.00 0.00 H new ATOM 0 HD13 ILE A 19 6.156 8.411 3.115 1.00 0.00 H new ATOM 270 N ILE A 20 1.659 8.024 4.313 1.00 0.00 N ATOM 271 CA ILE A 20 0.215 7.974 4.506 1.00 0.00 C ATOM 272 C ILE A 20 -0.135 7.531 5.923 1.00 0.00 C ATOM 273 O ILE A 20 0.510 6.646 6.486 1.00 0.00 O ATOM 274 CB ILE A 20 -0.454 7.017 3.501 1.00 0.00 C ATOM 275 CG1 ILE A 20 0.172 7.180 2.115 1.00 0.00 C ATOM 276 CG2 ILE A 20 -1.953 7.271 3.446 1.00 0.00 C ATOM 277 CD1 ILE A 20 -0.374 8.359 1.340 1.00 0.00 C ATOM 0 H ILE A 20 2.148 7.163 4.557 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.161 8.983 4.340 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.292 5.992 3.833 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.250 7.295 2.224 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.005 6.269 1.540 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.412 6.587 2.732 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.386 7.109 4.433 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.137 8.299 3.134 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.115 8.413 0.367 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.448 8.236 1.200 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.183 9.278 1.894 1.00 0.00 H new ATOM 289 N LYS A 21 -1.161 8.151 6.494 1.00 0.00 N ATOM 290 CA LYS A 21 -1.601 7.820 7.844 1.00 0.00 C ATOM 291 C LYS A 21 -3.063 7.386 7.850 1.00 0.00 C ATOM 292 O LYS A 21 -3.827 7.736 6.952 1.00 0.00 O ATOM 293 CB LYS A 21 -1.412 9.022 8.773 1.00 0.00 C ATOM 294 CG LYS A 21 0.041 9.425 8.958 1.00 0.00 C ATOM 295 CD LYS A 21 0.933 8.214 9.173 1.00 0.00 C ATOM 296 CE LYS A 21 2.125 8.550 10.056 1.00 0.00 C ATOM 297 NZ LYS A 21 1.809 8.382 11.502 1.00 0.00 N ATOM 0 H LYS A 21 -1.704 8.887 6.042 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.993 6.990 8.203 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.968 9.870 8.373 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.843 8.789 9.747 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.381 9.977 8.082 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.127 10.097 9.812 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.355 7.411 9.631 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.285 7.844 8.210 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.966 7.909 9.791 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.437 9.578 9.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.647 8.621 12.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.024 9.013 11.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.536 7.395 11.685 1.00 0.00 H new ATOM 311 N ASN A 22 -3.445 6.622 8.868 1.00 0.00 N ATOM 312 CA ASN A 22 -4.816 6.140 8.990 1.00 0.00 C ATOM 313 C ASN A 22 -5.261 5.435 7.712 1.00 0.00 C ATOM 314 O ASN A 22 -6.284 5.783 7.123 1.00 0.00 O ATOM 315 CB ASN A 22 -5.761 7.303 9.299 1.00 0.00 C ATOM 316 CG ASN A 22 -6.949 6.875 10.140 1.00 0.00 C ATOM 317 OD1 ASN A 22 -6.787 6.345 11.239 1.00 0.00 O ATOM 318 ND2 ASN A 22 -8.151 7.103 9.624 1.00 0.00 N ATOM 0 H ASN A 22 -2.824 6.323 9.620 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.851 5.423 9.810 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.211 8.085 9.823 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.118 7.736 8.364 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.988 6.836 10.143 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.238 7.545 8.709 1.00 0.00 H new ATOM 325 N MET A 23 -4.485 4.442 7.290 1.00 0.00 N ATOM 326 CA MET A 23 -4.800 3.686 6.084 1.00 0.00 C ATOM 327 C MET A 23 -4.871 2.192 6.381 1.00 0.00 C ATOM 328 O MET A 23 -5.421 1.418 5.597 1.00 0.00 O ATOM 329 CB MET A 23 -3.753 3.954 5.001 1.00 0.00 C ATOM 330 CG MET A 23 -2.333 3.630 5.436 1.00 0.00 C ATOM 331 SD MET A 23 -1.265 3.193 4.050 1.00 0.00 S ATOM 332 CE MET A 23 -2.231 1.901 3.273 1.00 0.00 C ATOM 0 H MET A 23 -3.634 4.142 7.765 1.00 0.00 H new ATOM 0 HA MET A 23 -5.776 4.013 5.725 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.997 3.365 4.117 1.00 0.00 H new ATOM 0 HB3 MET A 23 -3.805 5.003 4.709 1.00 0.00 H new ATOM 0 HG2 MET A 23 -1.912 4.490 5.957 1.00 0.00 H new ATOM 0 HG3 MET A 23 -2.354 2.805 6.148 1.00 0.00 H new ATOM 0 HE1 MET A 23 -1.569 1.102 2.940 1.00 0.00 H new ATOM 0 HE2 MET A 23 -2.949 1.503 3.990 1.00 0.00 H new ATOM 0 HE3 MET A 23 -2.764 2.311 2.415 1.00 0.00 H new ATOM 342 N PHE A 24 -4.311 1.792 7.518 1.00 0.00 N ATOM 343 CA PHE A 24 -4.309 0.389 7.917 1.00 0.00 C ATOM 344 C PHE A 24 -3.904 0.242 9.381 1.00 0.00 C ATOM 345 O PHE A 24 -3.354 1.165 9.981 1.00 0.00 O ATOM 346 CB PHE A 24 -3.358 -0.415 7.029 1.00 0.00 C ATOM 347 CG PHE A 24 -1.909 -0.080 7.245 1.00 0.00 C ATOM 348 CD1 PHE A 24 -1.239 -0.535 8.369 1.00 0.00 C ATOM 349 CD2 PHE A 24 -1.218 0.689 6.323 1.00 0.00 C ATOM 350 CE1 PHE A 24 0.093 -0.228 8.570 1.00 0.00 C ATOM 351 CE2 PHE A 24 0.115 1.000 6.519 1.00 0.00 C ATOM 352 CZ PHE A 24 0.771 0.540 7.643 1.00 0.00 C ATOM 0 H PHE A 24 -3.853 2.419 8.179 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.320 0.001 7.797 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.509 -1.478 7.217 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.612 -0.237 5.984 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.764 -1.137 9.096 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.726 1.050 5.441 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.604 -0.588 9.451 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.642 1.602 5.794 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.813 0.780 7.798 1.00 0.00 H new ATOM 362 N HIS A 25 -4.181 -0.927 9.950 1.00 0.00 N ATOM 363 CA HIS A 25 -3.846 -1.197 11.344 1.00 0.00 C ATOM 364 C HIS A 25 -3.158 -2.552 11.485 1.00 0.00 C ATOM 365 O HIS A 25 -3.525 -3.532 10.837 1.00 0.00 O ATOM 366 CB HIS A 25 -5.106 -1.160 12.210 1.00 0.00 C ATOM 367 CG HIS A 25 -4.845 -0.763 13.630 1.00 0.00 C ATOM 368 ND1 HIS A 25 -4.633 -1.677 14.640 1.00 0.00 N ATOM 369 CD2 HIS A 25 -4.761 0.459 14.206 1.00 0.00 C ATOM 370 CE1 HIS A 25 -4.432 -1.035 15.777 1.00 0.00 C ATOM 371 NE2 HIS A 25 -4.504 0.262 15.541 1.00 0.00 N ATOM 0 H HIS A 25 -4.636 -1.702 9.468 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.158 -0.422 11.683 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -5.818 -0.461 11.771 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -5.575 -2.144 12.197 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -4.875 1.411 13.709 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -4.241 -1.493 16.736 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -4.388 0.998 16.237 1.00 0.00 H new ATOM 379 N PRO A 26 -2.134 -2.609 12.350 1.00 0.00 N ATOM 380 CA PRO A 26 -1.373 -3.837 12.595 1.00 0.00 C ATOM 381 C PRO A 26 -2.190 -4.886 13.341 1.00 0.00 C ATOM 382 O PRO A 26 -1.692 -5.968 13.652 1.00 0.00 O ATOM 383 CB PRO A 26 -0.200 -3.361 13.456 1.00 0.00 C ATOM 384 CG PRO A 26 -0.699 -2.130 14.129 1.00 0.00 C ATOM 385 CD PRO A 26 -1.642 -1.479 13.155 1.00 0.00 C ATOM 0 HA PRO A 26 -1.070 -4.321 11.667 1.00 0.00 H new ATOM 0 HB2 PRO A 26 0.091 -4.119 14.183 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.679 -3.150 12.846 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.208 -2.374 15.061 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.125 -1.462 14.381 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -2.456 -0.965 13.666 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.134 -0.737 12.538 1.00 0.00 H new ATOM 393 N MET A 27 -3.447 -4.560 13.624 1.00 0.00 N ATOM 394 CA MET A 27 -4.333 -5.476 14.333 1.00 0.00 C ATOM 395 C MET A 27 -5.241 -6.217 13.357 1.00 0.00 C ATOM 396 O MET A 27 -5.879 -7.206 13.717 1.00 0.00 O ATOM 397 CB MET A 27 -5.178 -4.714 15.355 1.00 0.00 C ATOM 398 CG MET A 27 -5.838 -5.612 16.389 1.00 0.00 C ATOM 399 SD MET A 27 -4.835 -5.815 17.873 1.00 0.00 S ATOM 400 CE MET A 27 -3.356 -6.554 17.184 1.00 0.00 C ATOM 0 H MET A 27 -3.875 -3.669 13.373 1.00 0.00 H new ATOM 0 HA MET A 27 -3.716 -6.207 14.856 1.00 0.00 H new ATOM 0 HB2 MET A 27 -4.547 -3.988 15.867 1.00 0.00 H new ATOM 0 HB3 MET A 27 -5.949 -4.151 14.829 1.00 0.00 H new ATOM 0 HG2 MET A 27 -6.806 -5.193 16.664 1.00 0.00 H new ATOM 0 HG3 MET A 27 -6.028 -6.590 15.947 1.00 0.00 H new ATOM 0 HE1 MET A 27 -2.738 -6.950 17.990 1.00 0.00 H new ATOM 0 HE2 MET A 27 -3.634 -7.363 16.509 1.00 0.00 H new ATOM 0 HE3 MET A 27 -2.795 -5.799 16.633 1.00 0.00 H new ATOM 410 N ASP A 28 -5.294 -5.733 12.121 1.00 0.00 N ATOM 411 CA ASP A 28 -6.124 -6.351 11.093 1.00 0.00 C ATOM 412 C ASP A 28 -5.373 -7.481 10.395 1.00 0.00 C ATOM 413 O ASP A 28 -5.964 -8.494 10.020 1.00 0.00 O ATOM 414 CB ASP A 28 -6.564 -5.306 10.067 1.00 0.00 C ATOM 415 CG ASP A 28 -7.588 -4.339 10.629 1.00 0.00 C ATOM 416 OD1 ASP A 28 -7.282 -3.670 11.638 1.00 0.00 O ATOM 417 OD2 ASP A 28 -8.695 -4.250 10.058 1.00 0.00 O ATOM 0 H ASP A 28 -4.772 -4.915 11.806 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.007 -6.769 11.577 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.692 -4.749 9.723 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.984 -5.810 9.196 1.00 0.00 H new ATOM 422 N PHE A 29 -4.068 -7.300 10.224 1.00 0.00 N ATOM 423 CA PHE A 29 -3.236 -8.304 9.569 1.00 0.00 C ATOM 424 C PHE A 29 -3.116 -9.557 10.432 1.00 0.00 C ATOM 425 O PHE A 29 -2.883 -10.653 9.923 1.00 0.00 O ATOM 426 CB PHE A 29 -1.846 -7.735 9.280 1.00 0.00 C ATOM 427 CG PHE A 29 -1.868 -6.310 8.806 1.00 0.00 C ATOM 428 CD1 PHE A 29 -2.709 -5.921 7.775 1.00 0.00 C ATOM 429 CD2 PHE A 29 -1.049 -5.358 9.391 1.00 0.00 C ATOM 430 CE1 PHE A 29 -2.731 -4.611 7.337 1.00 0.00 C ATOM 431 CE2 PHE A 29 -1.067 -4.046 8.957 1.00 0.00 C ATOM 432 CZ PHE A 29 -1.910 -3.672 7.930 1.00 0.00 C ATOM 0 H PHE A 29 -3.563 -6.468 10.530 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.712 -8.577 8.627 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.241 -7.799 10.184 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.359 -8.353 8.526 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.355 -6.651 7.309 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.388 -5.645 10.196 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.390 -4.321 6.532 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.422 -3.314 9.421 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.928 -2.647 7.591 1.00 0.00 H new ATOM 442 N GLU A 30 -3.275 -9.385 11.741 1.00 0.00 N ATOM 443 CA GLU A 30 -3.183 -10.501 12.674 1.00 0.00 C ATOM 444 C GLU A 30 -4.371 -11.445 12.513 1.00 0.00 C ATOM 445 O GLU A 30 -4.260 -12.646 12.757 1.00 0.00 O ATOM 446 CB GLU A 30 -3.117 -9.987 14.114 1.00 0.00 C ATOM 447 CG GLU A 30 -1.913 -9.102 14.390 1.00 0.00 C ATOM 448 CD GLU A 30 -0.709 -9.889 14.869 1.00 0.00 C ATOM 449 OE1 GLU A 30 -0.374 -10.909 14.232 1.00 0.00 O ATOM 450 OE2 GLU A 30 -0.101 -9.484 15.882 1.00 0.00 O ATOM 0 H GLU A 30 -3.468 -8.484 12.178 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.270 -11.053 12.451 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.026 -9.427 14.333 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.095 -10.838 14.794 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.650 -8.559 13.482 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.178 -8.358 15.141 1.00 0.00 H new ATOM 457 N ASP A 31 -5.506 -10.892 12.102 1.00 0.00 N ATOM 458 CA ASP A 31 -6.716 -11.683 11.908 1.00 0.00 C ATOM 459 C ASP A 31 -6.744 -12.298 10.512 1.00 0.00 C ATOM 460 O ASP A 31 -7.327 -13.363 10.304 1.00 0.00 O ATOM 461 CB ASP A 31 -7.958 -10.816 12.121 1.00 0.00 C ATOM 462 CG ASP A 31 -9.229 -11.638 12.212 1.00 0.00 C ATOM 463 OD1 ASP A 31 -9.205 -12.696 12.876 1.00 0.00 O ATOM 464 OD2 ASP A 31 -10.247 -11.222 11.621 1.00 0.00 O ATOM 0 H ASP A 31 -5.614 -9.899 11.897 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.715 -12.489 12.642 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.839 -10.234 13.035 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.047 -10.105 11.300 1.00 0.00 H new ATOM 469 N ASP A 32 -6.113 -11.621 9.560 1.00 0.00 N ATOM 470 CA ASP A 32 -6.065 -12.101 8.183 1.00 0.00 C ATOM 471 C ASP A 32 -5.097 -11.268 7.350 1.00 0.00 C ATOM 472 O ASP A 32 -5.012 -10.047 7.488 1.00 0.00 O ATOM 473 CB ASP A 32 -7.461 -12.060 7.558 1.00 0.00 C ATOM 474 CG ASP A 32 -8.220 -13.359 7.751 1.00 0.00 C ATOM 475 OD1 ASP A 32 -7.789 -14.387 7.188 1.00 0.00 O ATOM 476 OD2 ASP A 32 -9.244 -13.346 8.465 1.00 0.00 O ATOM 0 H ASP A 32 -5.627 -10.738 9.716 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.710 -13.132 8.196 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.030 -11.241 7.999 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.373 -11.849 6.492 1.00 0.00 H new ATOM 481 N PRO A 33 -4.346 -11.941 6.465 1.00 0.00 N ATOM 482 CA PRO A 33 -3.370 -11.282 5.593 1.00 0.00 C ATOM 483 C PRO A 33 -4.034 -10.423 4.523 1.00 0.00 C ATOM 484 O PRO A 33 -3.541 -9.347 4.182 1.00 0.00 O ATOM 485 CB PRO A 33 -2.623 -12.454 4.949 1.00 0.00 C ATOM 486 CG PRO A 33 -3.587 -13.588 4.994 1.00 0.00 C ATOM 487 CD PRO A 33 -4.395 -13.397 6.247 1.00 0.00 C ATOM 0 HA PRO A 33 -2.726 -10.599 6.146 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.331 -12.223 3.925 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -1.709 -12.689 5.495 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.229 -13.590 4.113 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.064 -14.544 5.009 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.419 -13.751 6.123 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.968 -13.944 7.088 1.00 0.00 H new ATOM 495 N LEU A 34 -5.156 -10.902 3.998 1.00 0.00 N ATOM 496 CA LEU A 34 -5.890 -10.177 2.967 1.00 0.00 C ATOM 497 C LEU A 34 -5.868 -8.676 3.237 1.00 0.00 C ATOM 498 O LEU A 34 -5.588 -7.877 2.343 1.00 0.00 O ATOM 499 CB LEU A 34 -7.335 -10.673 2.897 1.00 0.00 C ATOM 500 CG LEU A 34 -7.565 -11.960 2.104 1.00 0.00 C ATOM 501 CD1 LEU A 34 -7.657 -11.662 0.616 1.00 0.00 C ATOM 502 CD2 LEU A 34 -6.454 -12.963 2.382 1.00 0.00 C ATOM 0 H LEU A 34 -5.578 -11.790 4.270 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.402 -10.363 2.010 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.695 -10.828 3.914 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.948 -9.885 2.458 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.511 -12.397 2.424 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.821 -12.590 0.068 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.488 -10.981 0.432 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.728 -11.201 0.279 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.634 -13.873 1.809 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.495 -12.534 2.090 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.436 -13.201 3.446 1.00 0.00 H new ATOM 514 N VAL A 35 -6.163 -8.298 4.477 1.00 0.00 N ATOM 515 CA VAL A 35 -6.174 -6.894 4.867 1.00 0.00 C ATOM 516 C VAL A 35 -4.953 -6.162 4.321 1.00 0.00 C ATOM 517 O VAL A 35 -5.079 -5.172 3.600 1.00 0.00 O ATOM 518 CB VAL A 35 -6.211 -6.736 6.399 1.00 0.00 C ATOM 519 CG1 VAL A 35 -6.241 -5.265 6.784 1.00 0.00 C ATOM 520 CG2 VAL A 35 -7.407 -7.473 6.981 1.00 0.00 C ATOM 0 H VAL A 35 -6.398 -8.946 5.229 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.077 -6.455 4.442 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.305 -7.176 6.814 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.267 -5.174 7.870 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.349 -4.770 6.399 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.128 -4.796 6.359 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.418 -7.351 8.064 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.326 -7.064 6.561 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.336 -8.533 6.736 1.00 0.00 H new ATOM 530 N LEU A 36 -3.770 -6.656 4.669 1.00 0.00 N ATOM 531 CA LEU A 36 -2.523 -6.050 4.213 1.00 0.00 C ATOM 532 C LEU A 36 -2.376 -6.181 2.701 1.00 0.00 C ATOM 533 O LEU A 36 -1.816 -5.304 2.044 1.00 0.00 O ATOM 534 CB LEU A 36 -1.330 -6.704 4.912 1.00 0.00 C ATOM 535 CG LEU A 36 -0.027 -5.904 4.905 1.00 0.00 C ATOM 536 CD1 LEU A 36 -0.101 -4.754 5.897 1.00 0.00 C ATOM 537 CD2 LEU A 36 1.156 -6.808 5.221 1.00 0.00 C ATOM 0 H LEU A 36 -3.648 -7.474 5.265 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.548 -4.990 4.467 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.605 -6.903 5.948 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.143 -7.669 4.441 1.00 0.00 H new ATOM 0 HG LEU A 36 0.116 -5.488 3.908 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.835 -4.196 5.878 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.923 -4.092 5.626 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.268 -5.148 6.899 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.075 -6.222 5.212 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.020 -7.254 6.206 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.221 -7.597 4.472 1.00 0.00 H new ATOM 549 N ASN A 37 -2.883 -7.281 2.155 1.00 0.00 N ATOM 550 CA ASN A 37 -2.809 -7.526 0.719 1.00 0.00 C ATOM 551 C ASN A 37 -3.561 -6.447 -0.056 1.00 0.00 C ATOM 552 O ASN A 37 -2.969 -5.710 -0.845 1.00 0.00 O ATOM 553 CB ASN A 37 -3.384 -8.904 0.385 1.00 0.00 C ATOM 554 CG ASN A 37 -2.349 -10.006 0.504 1.00 0.00 C ATOM 555 OD1 ASN A 37 -1.272 -9.928 -0.087 1.00 0.00 O ATOM 556 ND2 ASN A 37 -2.673 -11.041 1.270 1.00 0.00 N ATOM 0 H ASN A 37 -3.350 -8.017 2.685 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.760 -7.497 0.424 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -4.218 -9.119 1.053 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.783 -8.892 -0.629 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.018 -11.814 1.387 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.577 -11.063 1.741 1.00 0.00 H new ATOM 563 N GLU A 38 -4.867 -6.362 0.175 1.00 0.00 N ATOM 564 CA GLU A 38 -5.699 -5.374 -0.502 1.00 0.00 C ATOM 565 C GLU A 38 -5.162 -3.963 -0.274 1.00 0.00 C ATOM 566 O GLU A 38 -5.093 -3.157 -1.203 1.00 0.00 O ATOM 567 CB GLU A 38 -7.144 -5.467 -0.008 1.00 0.00 C ATOM 568 CG GLU A 38 -7.271 -6.009 1.406 1.00 0.00 C ATOM 569 CD GLU A 38 -8.457 -5.427 2.149 1.00 0.00 C ATOM 570 OE1 GLU A 38 -9.604 -5.781 1.804 1.00 0.00 O ATOM 571 OE2 GLU A 38 -8.240 -4.618 3.075 1.00 0.00 O ATOM 0 H GLU A 38 -5.372 -6.965 0.825 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.674 -5.586 -1.571 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.598 -4.477 -0.051 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.710 -6.107 -0.685 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.368 -7.094 1.368 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.357 -5.790 1.959 1.00 0.00 H new ATOM 578 N ILE A 39 -4.785 -3.673 0.966 1.00 0.00 N ATOM 579 CA ILE A 39 -4.254 -2.361 1.316 1.00 0.00 C ATOM 580 C ILE A 39 -2.972 -2.064 0.546 1.00 0.00 C ATOM 581 O ILE A 39 -2.863 -1.038 -0.126 1.00 0.00 O ATOM 582 CB ILE A 39 -3.971 -2.253 2.826 1.00 0.00 C ATOM 583 CG1 ILE A 39 -5.282 -2.256 3.615 1.00 0.00 C ATOM 584 CG2 ILE A 39 -3.169 -0.995 3.125 1.00 0.00 C ATOM 585 CD1 ILE A 39 -5.115 -2.664 5.062 1.00 0.00 C ATOM 0 H ILE A 39 -4.837 -4.329 1.746 1.00 0.00 H new ATOM 0 HA ILE A 39 -5.015 -1.629 1.045 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.383 -3.118 3.133 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.723 -1.260 3.575 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.985 -2.935 3.133 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.977 -0.932 4.196 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.221 -1.031 2.588 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.734 -0.119 2.806 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.084 -2.644 5.560 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.703 -3.672 5.111 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.437 -1.971 5.560 1.00 0.00 H new ATOM 597 N ARG A 40 -2.004 -2.969 0.648 1.00 0.00 N ATOM 598 CA ARG A 40 -0.729 -2.804 -0.039 1.00 0.00 C ATOM 599 C ARG A 40 -0.942 -2.563 -1.531 1.00 0.00 C ATOM 600 O ARG A 40 -0.558 -1.521 -2.061 1.00 0.00 O ATOM 601 CB ARG A 40 0.150 -4.040 0.168 1.00 0.00 C ATOM 602 CG ARG A 40 1.592 -3.841 -0.268 1.00 0.00 C ATOM 603 CD ARG A 40 1.836 -4.402 -1.660 1.00 0.00 C ATOM 604 NE ARG A 40 3.260 -4.557 -1.946 1.00 0.00 N ATOM 605 CZ ARG A 40 3.736 -5.354 -2.896 1.00 0.00 C ATOM 606 NH1 ARG A 40 2.906 -6.064 -3.648 1.00 0.00 N ATOM 607 NH2 ARG A 40 5.045 -5.441 -3.096 1.00 0.00 N ATOM 0 H ARG A 40 -2.079 -3.824 1.200 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.227 -1.934 0.384 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.133 -4.315 1.223 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.276 -4.876 -0.387 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.834 -2.778 -0.255 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.259 -4.328 0.444 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.340 -5.368 -1.753 1.00 0.00 H new ATOM 0 HD3 ARG A 40 1.387 -3.741 -2.401 1.00 0.00 H new ATOM 0 HE ARG A 40 3.925 -4.024 -1.386 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.899 -5.999 -3.498 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.274 -6.675 -4.377 1.00 0.00 H new ATOM 0 HH21 ARG A 40 5.686 -4.896 -2.520 1.00 0.00 H new ATOM 0 HH22 ARG A 40 5.410 -6.053 -3.826 1.00 0.00 H new ATOM 621 N GLU A 41 -1.556 -3.533 -2.200 1.00 0.00 N ATOM 622 CA GLU A 41 -1.818 -3.425 -3.631 1.00 0.00 C ATOM 623 C GLU A 41 -2.563 -2.133 -3.951 1.00 0.00 C ATOM 624 O GLU A 41 -2.331 -1.511 -4.988 1.00 0.00 O ATOM 625 CB GLU A 41 -2.630 -4.628 -4.115 1.00 0.00 C ATOM 626 CG GLU A 41 -4.133 -4.408 -4.067 1.00 0.00 C ATOM 627 CD GLU A 41 -4.917 -5.696 -4.225 1.00 0.00 C ATOM 628 OE1 GLU A 41 -4.329 -6.695 -4.690 1.00 0.00 O ATOM 629 OE2 GLU A 41 -6.118 -5.705 -3.884 1.00 0.00 O ATOM 0 H GLU A 41 -1.881 -4.402 -1.775 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.860 -3.410 -4.150 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.339 -4.864 -5.138 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.379 -5.495 -3.504 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.398 -3.940 -3.119 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.420 -3.713 -4.856 1.00 0.00 H new ATOM 636 N ASP A 42 -3.459 -1.735 -3.054 1.00 0.00 N ATOM 637 CA ASP A 42 -4.238 -0.517 -3.240 1.00 0.00 C ATOM 638 C ASP A 42 -3.325 0.698 -3.370 1.00 0.00 C ATOM 639 O ASP A 42 -3.522 1.547 -4.240 1.00 0.00 O ATOM 640 CB ASP A 42 -5.205 -0.321 -2.072 1.00 0.00 C ATOM 641 CG ASP A 42 -6.554 -0.967 -2.322 1.00 0.00 C ATOM 642 OD1 ASP A 42 -7.024 -0.929 -3.478 1.00 0.00 O ATOM 643 OD2 ASP A 42 -7.140 -1.509 -1.362 1.00 0.00 O ATOM 0 H ASP A 42 -3.663 -2.239 -2.191 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.810 -0.619 -4.162 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.767 -0.741 -1.167 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.344 0.745 -1.894 1.00 0.00 H new ATOM 648 N LEU A 43 -2.326 0.776 -2.498 1.00 0.00 N ATOM 649 CA LEU A 43 -1.382 1.888 -2.513 1.00 0.00 C ATOM 650 C LEU A 43 -0.536 1.867 -3.783 1.00 0.00 C ATOM 651 O LEU A 43 -0.054 2.905 -4.236 1.00 0.00 O ATOM 652 CB LEU A 43 -0.475 1.830 -1.282 1.00 0.00 C ATOM 653 CG LEU A 43 -0.928 2.654 -0.076 1.00 0.00 C ATOM 654 CD1 LEU A 43 0.040 2.478 1.084 1.00 0.00 C ATOM 655 CD2 LEU A 43 -1.054 4.123 -0.450 1.00 0.00 C ATOM 0 H LEU A 43 -2.149 0.082 -1.772 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.952 2.817 -2.493 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.383 0.789 -0.972 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.521 2.165 -1.573 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.908 2.295 0.238 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.298 3.072 1.933 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.079 1.427 1.369 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.034 2.810 0.782 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.377 4.694 0.421 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.088 4.496 -0.790 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.787 4.233 -1.249 1.00 0.00 H new ATOM 667 N ARG A 44 -0.363 0.679 -4.352 1.00 0.00 N ATOM 668 CA ARG A 44 0.423 0.523 -5.570 1.00 0.00 C ATOM 669 C ARG A 44 -0.412 0.856 -6.803 1.00 0.00 C ATOM 670 O ARG A 44 0.110 1.341 -7.807 1.00 0.00 O ATOM 671 CB ARG A 44 0.961 -0.905 -5.676 1.00 0.00 C ATOM 672 CG ARG A 44 1.936 -1.105 -6.825 1.00 0.00 C ATOM 673 CD ARG A 44 2.661 -2.437 -6.715 1.00 0.00 C ATOM 674 NE ARG A 44 3.311 -2.812 -7.968 1.00 0.00 N ATOM 675 CZ ARG A 44 4.399 -2.212 -8.439 1.00 0.00 C ATOM 676 NH1 ARG A 44 4.956 -1.216 -7.764 1.00 0.00 N ATOM 677 NH2 ARG A 44 4.933 -2.610 -9.587 1.00 0.00 N ATOM 0 H ARG A 44 -0.756 -0.189 -3.989 1.00 0.00 H new ATOM 0 HA ARG A 44 1.262 1.218 -5.522 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.456 -1.168 -4.741 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.123 -1.592 -5.798 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.398 -1.059 -7.772 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.663 -0.293 -6.832 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.407 -2.379 -5.923 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.951 -3.213 -6.428 1.00 0.00 H new ATOM 0 HE ARG A 44 2.908 -3.576 -8.511 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.549 -0.908 -6.881 1.00 0.00 H new ATOM 0 HH12 ARG A 44 5.791 -0.757 -8.128 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.508 -3.377 -10.108 1.00 0.00 H new ATOM 0 HH22 ARG A 44 5.768 -2.149 -9.948 1.00 0.00 H new ATOM 691 N VAL A 45 -1.712 0.592 -6.719 1.00 0.00 N ATOM 692 CA VAL A 45 -2.620 0.865 -7.827 1.00 0.00 C ATOM 693 C VAL A 45 -3.145 2.295 -7.768 1.00 0.00 C ATOM 694 O VAL A 45 -3.521 2.870 -8.789 1.00 0.00 O ATOM 695 CB VAL A 45 -3.814 -0.109 -7.827 1.00 0.00 C ATOM 696 CG1 VAL A 45 -3.346 -1.528 -7.539 1.00 0.00 C ATOM 697 CG2 VAL A 45 -4.860 0.331 -6.814 1.00 0.00 C ATOM 0 H VAL A 45 -2.160 0.190 -5.896 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.049 0.728 -8.745 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.271 -0.096 -8.817 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.203 -2.202 -7.543 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.636 -1.839 -8.305 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.863 -1.561 -6.562 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.696 -0.368 -6.827 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.417 0.348 -5.818 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.217 1.329 -7.070 1.00 0.00 H new ATOM 707 N GLU A 46 -3.168 2.862 -6.567 1.00 0.00 N ATOM 708 CA GLU A 46 -3.648 4.226 -6.376 1.00 0.00 C ATOM 709 C GLU A 46 -2.590 5.240 -6.802 1.00 0.00 C ATOM 710 O GLU A 46 -2.887 6.202 -7.510 1.00 0.00 O ATOM 711 CB GLU A 46 -4.029 4.456 -4.912 1.00 0.00 C ATOM 712 CG GLU A 46 -2.876 4.944 -4.051 1.00 0.00 C ATOM 713 CD GLU A 46 -3.321 5.367 -2.665 1.00 0.00 C ATOM 714 OE1 GLU A 46 -4.534 5.277 -2.378 1.00 0.00 O ATOM 715 OE2 GLU A 46 -2.458 5.788 -1.867 1.00 0.00 O ATOM 0 H GLU A 46 -2.860 2.399 -5.712 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.531 4.363 -7.000 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.839 5.184 -4.866 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.414 3.525 -4.495 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.132 4.152 -3.964 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.389 5.785 -4.545 1.00 0.00 H new ATOM 722 N CYS A 47 -1.355 5.016 -6.365 1.00 0.00 N ATOM 723 CA CYS A 47 -0.252 5.910 -6.699 1.00 0.00 C ATOM 724 C CYS A 47 0.115 5.792 -8.174 1.00 0.00 C ATOM 725 O CYS A 47 0.759 6.678 -8.737 1.00 0.00 O ATOM 726 CB CYS A 47 0.967 5.597 -5.831 1.00 0.00 C ATOM 727 SG CYS A 47 0.782 6.078 -4.097 1.00 0.00 S ATOM 0 H CYS A 47 -1.093 4.223 -5.779 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.574 6.933 -6.504 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.170 4.527 -5.880 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.836 6.106 -6.247 1.00 0.00 H new ATOM 0 HG CYS A 47 0.356 5.061 -3.408 1.00 0.00 H new ATOM 733 N SER A 48 -0.297 4.692 -8.795 1.00 0.00 N ATOM 734 CA SER A 48 -0.006 4.454 -10.205 1.00 0.00 C ATOM 735 C SER A 48 -0.933 5.276 -11.096 1.00 0.00 C ATOM 736 O SER A 48 -0.536 5.739 -12.165 1.00 0.00 O ATOM 737 CB SER A 48 -0.150 2.967 -10.533 1.00 0.00 C ATOM 738 OG SER A 48 0.054 2.729 -11.915 1.00 0.00 O ATOM 0 H SER A 48 -0.834 3.951 -8.344 1.00 0.00 H new ATOM 0 HA SER A 48 1.022 4.762 -10.397 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.570 2.391 -9.951 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.143 2.622 -10.244 1.00 0.00 H new ATOM 0 HG SER A 48 0.601 3.448 -12.293 1.00 0.00 H new ATOM 744 N LYS A 49 -2.171 5.452 -10.648 1.00 0.00 N ATOM 745 CA LYS A 49 -3.156 6.218 -11.402 1.00 0.00 C ATOM 746 C LYS A 49 -2.507 7.419 -12.083 1.00 0.00 C ATOM 747 O LYS A 49 -2.733 7.671 -13.266 1.00 0.00 O ATOM 748 CB LYS A 49 -4.282 6.689 -10.479 1.00 0.00 C ATOM 749 CG LYS A 49 -4.985 5.557 -9.750 1.00 0.00 C ATOM 750 CD LYS A 49 -5.512 4.512 -10.720 1.00 0.00 C ATOM 751 CE LYS A 49 -6.229 3.386 -9.990 1.00 0.00 C ATOM 752 NZ LYS A 49 -7.313 2.790 -10.820 1.00 0.00 N ATOM 0 H LYS A 49 -2.516 5.074 -9.766 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.573 5.568 -12.171 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.872 7.383 -9.745 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.015 7.242 -11.067 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.293 5.089 -9.050 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.811 5.959 -9.162 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.196 4.982 -11.427 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.685 4.103 -11.300 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.510 2.612 -9.721 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.651 3.767 -9.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.778 2.027 -10.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.012 3.523 -11.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.907 2.404 -11.696 1.00 0.00 H new ATOM 766 N PHE A 50 -1.698 8.155 -11.328 1.00 0.00 N ATOM 767 CA PHE A 50 -1.016 9.329 -11.859 1.00 0.00 C ATOM 768 C PHE A 50 0.164 8.922 -12.736 1.00 0.00 C ATOM 769 O PHE A 50 0.488 9.596 -13.713 1.00 0.00 O ATOM 770 CB PHE A 50 -0.532 10.224 -10.716 1.00 0.00 C ATOM 771 CG PHE A 50 -1.511 10.331 -9.582 1.00 0.00 C ATOM 772 CD1 PHE A 50 -1.538 9.373 -8.581 1.00 0.00 C ATOM 773 CD2 PHE A 50 -2.403 11.388 -9.517 1.00 0.00 C ATOM 774 CE1 PHE A 50 -2.438 9.469 -7.537 1.00 0.00 C ATOM 775 CE2 PHE A 50 -3.306 11.489 -8.475 1.00 0.00 C ATOM 776 CZ PHE A 50 -3.322 10.528 -7.483 1.00 0.00 C ATOM 0 H PHE A 50 -1.499 7.959 -10.347 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.726 9.885 -12.471 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.412 9.834 -10.335 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.330 11.221 -11.107 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.848 8.543 -8.617 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.393 12.143 -10.290 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.450 8.716 -6.763 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.998 12.318 -8.437 1.00 0.00 H new ATOM 0 HZ PHE A 50 -4.025 10.605 -6.667 1.00 0.00 H new ATOM 786 N GLY A 51 0.804 7.812 -12.379 1.00 0.00 N ATOM 787 CA GLY A 51 1.942 7.334 -13.142 1.00 0.00 C ATOM 788 C GLY A 51 2.307 5.902 -12.803 1.00 0.00 C ATOM 789 O GLY A 51 1.614 4.967 -13.204 1.00 0.00 O ATOM 0 H GLY A 51 0.554 7.236 -11.575 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.718 7.406 -14.206 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.800 7.979 -12.952 1.00 0.00 H new ATOM 793 N GLN A 52 3.399 5.731 -12.064 1.00 0.00 N ATOM 794 CA GLN A 52 3.855 4.402 -11.674 1.00 0.00 C ATOM 795 C GLN A 52 4.306 4.388 -10.217 1.00 0.00 C ATOM 796 O GLN A 52 4.266 5.412 -9.535 1.00 0.00 O ATOM 797 CB GLN A 52 5.001 3.947 -12.579 1.00 0.00 C ATOM 798 CG GLN A 52 4.540 3.435 -13.934 1.00 0.00 C ATOM 799 CD GLN A 52 5.690 2.975 -14.807 1.00 0.00 C ATOM 800 OE1 GLN A 52 6.793 2.723 -14.319 1.00 0.00 O ATOM 801 NE2 GLN A 52 5.440 2.862 -16.106 1.00 0.00 N ATOM 0 H GLN A 52 3.983 6.495 -11.724 1.00 0.00 H new ATOM 0 HA GLN A 52 3.019 3.711 -11.784 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.687 4.781 -12.729 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.561 3.160 -12.074 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.846 2.607 -13.788 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.991 4.224 -14.449 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.512 3.081 -16.468 1.00 0.00 H new ATOM 0 HE22 GLN A 52 6.176 2.556 -16.742 1.00 0.00 H new ATOM 810 N ILE A 53 4.734 3.221 -9.747 1.00 0.00 N ATOM 811 CA ILE A 53 5.193 3.074 -8.371 1.00 0.00 C ATOM 812 C ILE A 53 6.645 2.612 -8.322 1.00 0.00 C ATOM 813 O ILE A 53 6.930 1.418 -8.406 1.00 0.00 O ATOM 814 CB ILE A 53 4.321 2.073 -7.590 1.00 0.00 C ATOM 815 CG1 ILE A 53 2.854 2.211 -8.003 1.00 0.00 C ATOM 816 CG2 ILE A 53 4.478 2.289 -6.093 1.00 0.00 C ATOM 817 CD1 ILE A 53 2.315 3.617 -7.857 1.00 0.00 C ATOM 0 H ILE A 53 4.772 2.364 -10.299 1.00 0.00 H new ATOM 0 HA ILE A 53 5.111 4.056 -7.905 1.00 0.00 H new ATOM 0 HB ILE A 53 4.652 1.062 -7.828 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.746 1.895 -9.041 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.250 1.534 -7.399 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.856 1.574 -5.555 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.521 2.145 -5.812 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.170 3.303 -5.837 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.270 3.640 -8.168 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.391 3.929 -6.816 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.895 4.296 -8.483 1.00 0.00 H new ATOM 829 N ARG A 54 7.559 3.567 -8.185 1.00 0.00 N ATOM 830 CA ARG A 54 8.983 3.258 -8.124 1.00 0.00 C ATOM 831 C ARG A 54 9.272 2.243 -7.022 1.00 0.00 C ATOM 832 O ARG A 54 10.134 1.376 -7.172 1.00 0.00 O ATOM 833 CB ARG A 54 9.793 4.533 -7.883 1.00 0.00 C ATOM 834 CG ARG A 54 10.264 5.206 -9.161 1.00 0.00 C ATOM 835 CD ARG A 54 11.646 4.721 -9.570 1.00 0.00 C ATOM 836 NE ARG A 54 11.821 4.726 -11.020 1.00 0.00 N ATOM 837 CZ ARG A 54 12.738 4.001 -11.652 1.00 0.00 C ATOM 838 NH1 ARG A 54 13.558 3.218 -10.964 1.00 0.00 N ATOM 839 NH2 ARG A 54 12.836 4.059 -12.974 1.00 0.00 N ATOM 0 H ARG A 54 7.339 4.561 -8.114 1.00 0.00 H new ATOM 0 HA ARG A 54 9.277 2.824 -9.080 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.186 5.237 -7.314 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.660 4.292 -7.269 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.554 5.003 -9.963 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.284 6.286 -9.018 1.00 0.00 H new ATOM 0 HD2 ARG A 54 12.404 5.356 -9.111 1.00 0.00 H new ATOM 0 HD3 ARG A 54 11.803 3.712 -9.189 1.00 0.00 H new ATOM 0 HE ARG A 54 11.206 5.318 -11.578 1.00 0.00 H new ATOM 0 HH11 ARG A 54 13.486 3.171 -9.948 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.261 2.662 -11.451 1.00 0.00 H new ATOM 0 HH21 ARG A 54 12.207 4.660 -13.506 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.540 3.502 -13.458 1.00 0.00 H new ATOM 853 N LYS A 55 8.547 2.356 -5.915 1.00 0.00 N ATOM 854 CA LYS A 55 8.724 1.449 -4.787 1.00 0.00 C ATOM 855 C LYS A 55 7.613 1.635 -3.759 1.00 0.00 C ATOM 856 O LYS A 55 7.081 2.734 -3.597 1.00 0.00 O ATOM 857 CB LYS A 55 10.086 1.680 -4.129 1.00 0.00 C ATOM 858 CG LYS A 55 10.709 0.417 -3.560 1.00 0.00 C ATOM 859 CD LYS A 55 10.307 0.200 -2.111 1.00 0.00 C ATOM 860 CE LYS A 55 10.671 -1.198 -1.635 1.00 0.00 C ATOM 861 NZ LYS A 55 12.055 -1.255 -1.090 1.00 0.00 N ATOM 0 H LYS A 55 7.830 3.068 -5.774 1.00 0.00 H new ATOM 0 HA LYS A 55 8.678 0.427 -5.164 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.766 2.112 -4.863 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.974 2.412 -3.329 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.401 -0.442 -4.156 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.795 0.482 -3.631 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.800 0.940 -1.481 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.233 0.354 -2.003 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.965 -1.516 -0.868 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.578 -1.900 -2.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.224 -2.191 -0.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 12.737 -1.092 -1.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.172 -0.522 -0.362 1.00 0.00 H new ATOM 875 N LEU A 56 7.267 0.555 -3.066 1.00 0.00 N ATOM 876 CA LEU A 56 6.220 0.600 -2.052 1.00 0.00 C ATOM 877 C LEU A 56 6.664 -0.111 -0.778 1.00 0.00 C ATOM 878 O LEU A 56 7.289 -1.172 -0.832 1.00 0.00 O ATOM 879 CB LEU A 56 4.937 -0.040 -2.586 1.00 0.00 C ATOM 880 CG LEU A 56 3.627 0.519 -2.032 1.00 0.00 C ATOM 881 CD1 LEU A 56 3.131 1.670 -2.892 1.00 0.00 C ATOM 882 CD2 LEU A 56 2.574 -0.577 -1.946 1.00 0.00 C ATOM 0 H LEU A 56 7.696 -0.362 -3.188 1.00 0.00 H new ATOM 0 HA LEU A 56 6.025 1.646 -1.813 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.925 0.068 -3.671 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.972 -1.108 -2.373 1.00 0.00 H new ATOM 0 HG LEU A 56 3.812 0.898 -1.027 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.197 2.055 -2.482 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.877 2.464 -2.902 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.962 1.317 -3.909 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.648 -0.161 -1.549 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.392 -0.986 -2.940 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.927 -1.370 -1.287 1.00 0.00 H new ATOM 894 N LEU A 57 6.337 0.477 0.367 1.00 0.00 N ATOM 895 CA LEU A 57 6.700 -0.102 1.656 1.00 0.00 C ATOM 896 C LEU A 57 5.577 0.081 2.671 1.00 0.00 C ATOM 897 O LEU A 57 5.286 1.200 3.097 1.00 0.00 O ATOM 898 CB LEU A 57 7.986 0.539 2.180 1.00 0.00 C ATOM 899 CG LEU A 57 9.242 0.312 1.337 1.00 0.00 C ATOM 900 CD1 LEU A 57 10.331 1.299 1.726 1.00 0.00 C ATOM 901 CD2 LEU A 57 9.736 -1.119 1.491 1.00 0.00 C ATOM 0 H LEU A 57 5.821 1.355 0.430 1.00 0.00 H new ATOM 0 HA LEU A 57 6.865 -1.170 1.514 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.822 1.613 2.270 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.174 0.160 3.185 1.00 0.00 H new ATOM 0 HG LEU A 57 8.989 0.477 0.290 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.217 1.122 1.116 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.975 2.316 1.563 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.583 1.167 2.778 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.630 -1.263 0.884 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.973 -1.312 2.537 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.959 -1.809 1.162 1.00 0.00 H new ATOM 913 N LEU A 58 4.949 -1.024 3.057 1.00 0.00 N ATOM 914 CA LEU A 58 3.858 -0.987 4.025 1.00 0.00 C ATOM 915 C LEU A 58 4.354 -1.359 5.418 1.00 0.00 C ATOM 916 O LEU A 58 4.725 -2.505 5.671 1.00 0.00 O ATOM 917 CB LEU A 58 2.739 -1.938 3.598 1.00 0.00 C ATOM 918 CG LEU A 58 1.314 -1.479 3.908 1.00 0.00 C ATOM 919 CD1 LEU A 58 0.300 -2.430 3.289 1.00 0.00 C ATOM 920 CD2 LEU A 58 1.102 -1.376 5.411 1.00 0.00 C ATOM 0 H LEU A 58 5.177 -1.957 2.714 1.00 0.00 H new ATOM 0 HA LEU A 58 3.468 0.030 4.058 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.820 -2.104 2.524 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.903 -2.901 4.082 1.00 0.00 H new ATOM 0 HG LEU A 58 1.168 -0.491 3.472 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.709 -2.087 3.520 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.436 -2.454 2.208 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.445 -3.431 3.695 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.082 -1.048 5.613 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.267 -2.351 5.869 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.805 -0.655 5.829 1.00 0.00 H new ATOM 932 N PHE A 59 4.355 -0.383 6.320 1.00 0.00 N ATOM 933 CA PHE A 59 4.804 -0.607 7.689 1.00 0.00 C ATOM 934 C PHE A 59 3.710 -1.276 8.517 1.00 0.00 C ATOM 935 O PHE A 59 2.869 -0.602 9.113 1.00 0.00 O ATOM 936 CB PHE A 59 5.214 0.716 8.338 1.00 0.00 C ATOM 937 CG PHE A 59 6.111 1.555 7.474 1.00 0.00 C ATOM 938 CD1 PHE A 59 6.999 0.961 6.592 1.00 0.00 C ATOM 939 CD2 PHE A 59 6.066 2.938 7.544 1.00 0.00 C ATOM 940 CE1 PHE A 59 7.825 1.730 5.794 1.00 0.00 C ATOM 941 CE2 PHE A 59 6.890 3.713 6.749 1.00 0.00 C ATOM 942 CZ PHE A 59 7.771 3.108 5.874 1.00 0.00 C ATOM 0 H PHE A 59 4.050 0.571 6.127 1.00 0.00 H new ATOM 0 HA PHE A 59 5.669 -1.270 7.657 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.317 1.287 8.579 1.00 0.00 H new ATOM 0 HB3 PHE A 59 5.721 0.508 9.280 1.00 0.00 H new ATOM 0 HD1 PHE A 59 7.046 -0.116 6.527 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.380 3.416 8.227 1.00 0.00 H new ATOM 0 HE1 PHE A 59 8.511 1.254 5.109 1.00 0.00 H new ATOM 0 HE2 PHE A 59 6.845 4.790 6.812 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.417 3.711 5.253 1.00 0.00 H new ATOM 952 N ASP A 60 3.729 -2.603 8.550 1.00 0.00 N ATOM 953 CA ASP A 60 2.740 -3.364 9.304 1.00 0.00 C ATOM 954 C ASP A 60 3.103 -3.409 10.785 1.00 0.00 C ATOM 955 O ASP A 60 2.938 -4.436 11.444 1.00 0.00 O ATOM 956 CB ASP A 60 2.627 -4.785 8.751 1.00 0.00 C ATOM 957 CG ASP A 60 3.882 -5.601 8.989 1.00 0.00 C ATOM 958 OD1 ASP A 60 4.953 -5.202 8.487 1.00 0.00 O ATOM 959 OD2 ASP A 60 3.793 -6.640 9.678 1.00 0.00 O ATOM 0 H ASP A 60 4.419 -3.175 8.063 1.00 0.00 H new ATOM 0 HA ASP A 60 1.777 -2.864 9.199 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.778 -5.286 9.216 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.424 -4.740 7.681 1.00 0.00 H new ATOM 964 N ARG A 61 3.600 -2.290 11.302 1.00 0.00 N ATOM 965 CA ARG A 61 3.990 -2.203 12.704 1.00 0.00 C ATOM 966 C ARG A 61 3.339 -0.997 13.375 1.00 0.00 C ATOM 967 O ARG A 61 2.918 -1.068 14.530 1.00 0.00 O ATOM 968 CB ARG A 61 5.512 -2.110 12.828 1.00 0.00 C ATOM 969 CG ARG A 61 6.254 -3.160 12.019 1.00 0.00 C ATOM 970 CD ARG A 61 5.957 -4.564 12.523 1.00 0.00 C ATOM 971 NE ARG A 61 6.919 -4.998 13.533 1.00 0.00 N ATOM 972 CZ ARG A 61 6.706 -6.012 14.363 1.00 0.00 C ATOM 973 NH1 ARG A 61 5.570 -6.695 14.303 1.00 0.00 N ATOM 974 NH2 ARG A 61 7.629 -6.347 15.255 1.00 0.00 N ATOM 0 H ARG A 61 3.742 -1.431 10.771 1.00 0.00 H new ATOM 0 HA ARG A 61 3.647 -3.107 13.207 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.835 -1.120 12.505 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.789 -2.209 13.877 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.969 -3.081 10.970 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.326 -2.972 12.073 1.00 0.00 H new ATOM 0 HD2 ARG A 61 4.952 -4.593 12.944 1.00 0.00 H new ATOM 0 HD3 ARG A 61 5.972 -5.261 11.685 1.00 0.00 H new ATOM 0 HE ARG A 61 7.803 -4.494 13.604 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.858 -6.441 13.618 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.409 -7.474 14.942 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.504 -5.825 15.304 1.00 0.00 H new ATOM 0 HH22 ARG A 61 7.464 -7.126 15.892 1.00 0.00 H new ATOM 988 N HIS A 62 3.261 0.110 12.643 1.00 0.00 N ATOM 989 CA HIS A 62 2.661 1.332 13.168 1.00 0.00 C ATOM 990 C HIS A 62 1.162 1.153 13.383 1.00 0.00 C ATOM 991 O HIS A 62 0.410 0.843 12.458 1.00 0.00 O ATOM 992 CB HIS A 62 2.916 2.500 12.214 1.00 0.00 C ATOM 993 CG HIS A 62 3.036 3.823 12.906 1.00 0.00 C ATOM 994 ND1 HIS A 62 1.956 4.645 13.150 1.00 0.00 N ATOM 995 CD2 HIS A 62 4.117 4.464 13.408 1.00 0.00 C ATOM 996 CE1 HIS A 62 2.368 5.736 13.770 1.00 0.00 C ATOM 997 NE2 HIS A 62 3.675 5.651 13.939 1.00 0.00 N ATOM 0 H HIS A 62 3.605 0.186 11.686 1.00 0.00 H new ATOM 0 HA HIS A 62 3.124 1.550 14.130 1.00 0.00 H new ATOM 0 HB2 HIS A 62 3.831 2.308 11.654 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.103 2.551 11.489 1.00 0.00 H new ATOM 0 HD2 HIS A 62 5.137 4.109 13.394 1.00 0.00 H new ATOM 0 HE1 HIS A 62 1.742 6.558 14.085 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.261 6.353 14.391 1.00 0.00 H new ATOM 1005 N PRO A 63 0.714 1.351 14.631 1.00 0.00 N ATOM 1006 CA PRO A 63 -0.699 1.216 14.997 1.00 0.00 C ATOM 1007 C PRO A 63 -1.559 2.329 14.407 1.00 0.00 C ATOM 1008 O PRO A 63 -2.757 2.411 14.679 1.00 0.00 O ATOM 1009 CB PRO A 63 -0.681 1.307 16.525 1.00 0.00 C ATOM 1010 CG PRO A 63 0.550 2.083 16.843 1.00 0.00 C ATOM 1011 CD PRO A 63 1.554 1.722 15.783 1.00 0.00 C ATOM 0 HA PRO A 63 -1.132 0.290 14.617 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.573 1.807 16.902 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.654 0.317 16.980 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.348 3.154 16.840 1.00 0.00 H new ATOM 0 HG3 PRO A 63 0.924 1.832 17.836 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.210 2.560 15.549 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.192 0.896 16.098 1.00 0.00 H new ATOM 1019 N ASP A 64 -0.940 3.183 13.600 1.00 0.00 N ATOM 1020 CA ASP A 64 -1.650 4.291 12.970 1.00 0.00 C ATOM 1021 C ASP A 64 -1.600 4.175 11.450 1.00 0.00 C ATOM 1022 O ASP A 64 -1.844 5.145 10.735 1.00 0.00 O ATOM 1023 CB ASP A 64 -1.048 5.626 13.412 1.00 0.00 C ATOM 1024 CG ASP A 64 -2.071 6.745 13.427 1.00 0.00 C ATOM 1025 OD1 ASP A 64 -3.084 6.632 12.706 1.00 0.00 O ATOM 1026 OD2 ASP A 64 -1.859 7.734 14.160 1.00 0.00 O ATOM 0 H ASP A 64 0.051 3.130 13.366 1.00 0.00 H new ATOM 0 HA ASP A 64 -2.693 4.248 13.285 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.619 5.516 14.408 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.231 5.893 12.741 1.00 0.00 H new ATOM 1031 N GLY A 65 -1.282 2.979 10.963 1.00 0.00 N ATOM 1032 CA GLY A 65 -1.205 2.758 9.531 1.00 0.00 C ATOM 1033 C GLY A 65 -0.263 3.727 8.844 1.00 0.00 C ATOM 1034 O GLY A 65 -0.639 4.859 8.541 1.00 0.00 O ATOM 0 H GLY A 65 -1.076 2.160 11.535 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.873 1.737 9.341 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.200 2.855 9.098 1.00 0.00 H new ATOM 1038 N VAL A 66 0.966 3.283 8.600 1.00 0.00 N ATOM 1039 CA VAL A 66 1.965 4.119 7.945 1.00 0.00 C ATOM 1040 C VAL A 66 2.592 3.398 6.758 1.00 0.00 C ATOM 1041 O VAL A 66 3.121 2.295 6.897 1.00 0.00 O ATOM 1042 CB VAL A 66 3.078 4.535 8.926 1.00 0.00 C ATOM 1043 CG1 VAL A 66 4.091 5.433 8.233 1.00 0.00 C ATOM 1044 CG2 VAL A 66 2.483 5.228 10.142 1.00 0.00 C ATOM 0 H VAL A 66 1.294 2.349 8.846 1.00 0.00 H new ATOM 0 HA VAL A 66 1.449 5.012 7.592 1.00 0.00 H new ATOM 0 HB VAL A 66 3.595 3.637 9.265 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.870 5.717 8.941 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.539 4.898 7.396 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.591 6.329 7.865 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.283 5.515 10.825 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.940 6.118 9.824 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.799 4.548 10.650 1.00 0.00 H new ATOM 1054 N ALA A 67 2.530 4.028 5.590 1.00 0.00 N ATOM 1055 CA ALA A 67 3.095 3.448 4.378 1.00 0.00 C ATOM 1056 C ALA A 67 3.984 4.452 3.651 1.00 0.00 C ATOM 1057 O ALA A 67 3.773 5.661 3.740 1.00 0.00 O ATOM 1058 CB ALA A 67 1.984 2.962 3.458 1.00 0.00 C ATOM 0 H ALA A 67 2.094 4.941 5.457 1.00 0.00 H new ATOM 0 HA ALA A 67 3.712 2.597 4.666 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.420 2.531 2.557 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.391 2.205 3.972 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.344 3.801 3.186 1.00 0.00 H new ATOM 1064 N SER A 68 4.980 3.942 2.933 1.00 0.00 N ATOM 1065 CA SER A 68 5.904 4.795 2.195 1.00 0.00 C ATOM 1066 C SER A 68 5.888 4.454 0.708 1.00 0.00 C ATOM 1067 O SER A 68 6.363 3.395 0.296 1.00 0.00 O ATOM 1068 CB SER A 68 7.323 4.645 2.749 1.00 0.00 C ATOM 1069 OG SER A 68 8.291 4.848 1.734 1.00 0.00 O ATOM 0 H SER A 68 5.167 2.943 2.847 1.00 0.00 H new ATOM 0 HA SER A 68 5.581 5.829 2.317 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.480 5.363 3.554 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.446 3.651 3.179 1.00 0.00 H new ATOM 0 HG SER A 68 9.189 4.748 2.114 1.00 0.00 H new ATOM 1075 N VAL A 69 5.337 5.359 -0.094 1.00 0.00 N ATOM 1076 CA VAL A 69 5.259 5.157 -1.536 1.00 0.00 C ATOM 1077 C VAL A 69 6.300 5.998 -2.266 1.00 0.00 C ATOM 1078 O VAL A 69 6.181 7.220 -2.346 1.00 0.00 O ATOM 1079 CB VAL A 69 3.860 5.508 -2.077 1.00 0.00 C ATOM 1080 CG1 VAL A 69 3.642 4.876 -3.443 1.00 0.00 C ATOM 1081 CG2 VAL A 69 2.784 5.065 -1.097 1.00 0.00 C ATOM 0 H VAL A 69 4.938 6.240 0.230 1.00 0.00 H new ATOM 0 HA VAL A 69 5.457 4.101 -1.719 1.00 0.00 H new ATOM 0 HB VAL A 69 3.793 6.590 -2.190 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.649 5.135 -3.809 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.394 5.247 -4.140 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.727 3.792 -3.360 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.802 5.321 -1.495 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.847 3.987 -0.951 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.931 5.570 -0.142 1.00 0.00 H new ATOM 1091 N SER A 70 7.321 5.334 -2.800 1.00 0.00 N ATOM 1092 CA SER A 70 8.385 6.020 -3.522 1.00 0.00 C ATOM 1093 C SER A 70 7.934 6.393 -4.931 1.00 0.00 C ATOM 1094 O SER A 70 7.149 5.677 -5.553 1.00 0.00 O ATOM 1095 CB SER A 70 9.634 5.139 -3.590 1.00 0.00 C ATOM 1096 OG SER A 70 10.669 5.777 -4.318 1.00 0.00 O ATOM 0 H SER A 70 7.433 4.322 -2.746 1.00 0.00 H new ATOM 0 HA SER A 70 8.624 6.936 -2.982 1.00 0.00 H new ATOM 0 HB2 SER A 70 9.980 4.915 -2.581 1.00 0.00 H new ATOM 0 HB3 SER A 70 9.387 4.188 -4.061 1.00 0.00 H new ATOM 0 HG SER A 70 11.457 5.194 -4.346 1.00 0.00 H new ATOM 1102 N PHE A 71 8.437 7.518 -5.428 1.00 0.00 N ATOM 1103 CA PHE A 71 8.085 7.987 -6.763 1.00 0.00 C ATOM 1104 C PHE A 71 9.337 8.331 -7.566 1.00 0.00 C ATOM 1105 O PHE A 71 10.379 8.660 -7.000 1.00 0.00 O ATOM 1106 CB PHE A 71 7.172 9.211 -6.673 1.00 0.00 C ATOM 1107 CG PHE A 71 5.782 8.889 -6.205 1.00 0.00 C ATOM 1108 CD1 PHE A 71 5.505 8.756 -4.853 1.00 0.00 C ATOM 1109 CD2 PHE A 71 4.752 8.719 -7.115 1.00 0.00 C ATOM 1110 CE1 PHE A 71 4.227 8.459 -4.420 1.00 0.00 C ATOM 1111 CE2 PHE A 71 3.472 8.421 -6.688 1.00 0.00 C ATOM 1112 CZ PHE A 71 3.209 8.292 -5.338 1.00 0.00 C ATOM 0 H PHE A 71 9.089 8.121 -4.927 1.00 0.00 H new ATOM 0 HA PHE A 71 7.555 7.184 -7.275 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.617 9.937 -5.992 1.00 0.00 H new ATOM 0 HB3 PHE A 71 7.116 9.685 -7.653 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.297 8.886 -4.130 1.00 0.00 H new ATOM 0 HD2 PHE A 71 4.952 8.821 -8.172 1.00 0.00 H new ATOM 0 HE1 PHE A 71 4.024 8.357 -3.364 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.678 8.289 -7.409 1.00 0.00 H new ATOM 0 HZ PHE A 71 2.209 8.061 -5.001 1.00 0.00 H new ATOM 1122 N ARG A 72 9.226 8.250 -8.888 1.00 0.00 N ATOM 1123 CA ARG A 72 10.348 8.550 -9.769 1.00 0.00 C ATOM 1124 C ARG A 72 10.480 10.055 -9.987 1.00 0.00 C ATOM 1125 O ARG A 72 11.555 10.627 -9.802 1.00 0.00 O ATOM 1126 CB ARG A 72 10.172 7.842 -11.113 1.00 0.00 C ATOM 1127 CG ARG A 72 11.240 8.199 -12.134 1.00 0.00 C ATOM 1128 CD ARG A 72 12.618 7.745 -11.680 1.00 0.00 C ATOM 1129 NE ARG A 72 13.686 8.437 -12.397 1.00 0.00 N ATOM 1130 CZ ARG A 72 14.110 8.083 -13.604 1.00 0.00 C ATOM 1131 NH1 ARG A 72 13.559 7.050 -14.227 1.00 0.00 N ATOM 1132 NH2 ARG A 72 15.087 8.762 -14.192 1.00 0.00 N ATOM 0 H ARG A 72 8.370 7.979 -9.372 1.00 0.00 H new ATOM 0 HA ARG A 72 11.259 8.188 -9.293 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.183 6.764 -10.950 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.193 8.093 -11.521 1.00 0.00 H new ATOM 0 HG2 ARG A 72 11.000 7.735 -13.091 1.00 0.00 H new ATOM 0 HG3 ARG A 72 11.245 9.277 -12.295 1.00 0.00 H new ATOM 0 HD2 ARG A 72 12.724 7.924 -10.610 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.715 6.670 -11.834 1.00 0.00 H new ATOM 0 HE ARG A 72 14.130 9.236 -11.945 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.808 6.526 -13.779 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.887 6.780 -15.154 1.00 0.00 H new ATOM 0 HH21 ARG A 72 15.513 9.557 -13.716 1.00 0.00 H new ATOM 0 HH22 ARG A 72 15.412 8.489 -15.120 1.00 0.00 H new ATOM 1146 N ASP A 73 9.382 10.689 -10.382 1.00 0.00 N ATOM 1147 CA ASP A 73 9.375 12.127 -10.625 1.00 0.00 C ATOM 1148 C ASP A 73 8.588 12.857 -9.542 1.00 0.00 C ATOM 1149 O ASP A 73 7.607 12.346 -9.001 1.00 0.00 O ATOM 1150 CB ASP A 73 8.776 12.430 -12.000 1.00 0.00 C ATOM 1151 CG ASP A 73 9.297 11.498 -13.076 1.00 0.00 C ATOM 1152 OD1 ASP A 73 10.533 11.359 -13.194 1.00 0.00 O ATOM 1153 OD2 ASP A 73 8.469 10.907 -13.800 1.00 0.00 O ATOM 0 H ASP A 73 8.485 10.230 -10.541 1.00 0.00 H new ATOM 0 HA ASP A 73 10.406 12.480 -10.600 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.690 12.348 -11.946 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.004 13.460 -12.274 1.00 0.00 H new ATOM 1158 N PRO A 74 9.026 14.082 -9.215 1.00 0.00 N ATOM 1159 CA PRO A 74 8.378 14.909 -8.193 1.00 0.00 C ATOM 1160 C PRO A 74 7.008 15.411 -8.637 1.00 0.00 C ATOM 1161 O PRO A 74 6.089 15.530 -7.827 1.00 0.00 O ATOM 1162 CB PRO A 74 9.346 16.081 -8.018 1.00 0.00 C ATOM 1163 CG PRO A 74 10.076 16.166 -9.314 1.00 0.00 C ATOM 1164 CD PRO A 74 10.189 14.754 -9.819 1.00 0.00 C ATOM 0 HA PRO A 74 8.193 14.351 -7.275 1.00 0.00 H new ATOM 0 HB2 PRO A 74 8.812 17.007 -7.803 1.00 0.00 H new ATOM 0 HB3 PRO A 74 10.031 15.908 -7.188 1.00 0.00 H new ATOM 0 HG2 PRO A 74 9.537 16.793 -10.025 1.00 0.00 H new ATOM 0 HG3 PRO A 74 11.061 16.612 -9.178 1.00 0.00 H new ATOM 0 HD2 PRO A 74 10.156 14.713 -10.908 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.126 14.291 -9.510 1.00 0.00 H new ATOM 1172 N GLU A 75 6.879 15.703 -9.927 1.00 0.00 N ATOM 1173 CA GLU A 75 5.621 16.192 -10.478 1.00 0.00 C ATOM 1174 C GLU A 75 4.465 15.272 -10.095 1.00 0.00 C ATOM 1175 O GLU A 75 3.426 15.728 -9.621 1.00 0.00 O ATOM 1176 CB GLU A 75 5.714 16.306 -12.001 1.00 0.00 C ATOM 1177 CG GLU A 75 6.773 17.288 -12.474 1.00 0.00 C ATOM 1178 CD GLU A 75 7.023 18.402 -11.476 1.00 0.00 C ATOM 1179 OE1 GLU A 75 6.254 19.386 -11.479 1.00 0.00 O ATOM 1180 OE2 GLU A 75 7.989 18.289 -10.691 1.00 0.00 O ATOM 0 H GLU A 75 7.631 15.609 -10.610 1.00 0.00 H new ATOM 0 HA GLU A 75 5.431 17.180 -10.059 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.930 15.322 -12.418 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.745 16.613 -12.394 1.00 0.00 H new ATOM 0 HG2 GLU A 75 7.705 16.752 -12.656 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.463 17.720 -13.425 1.00 0.00 H new ATOM 1187 N GLU A 76 4.656 13.973 -10.307 1.00 0.00 N ATOM 1188 CA GLU A 76 3.630 12.989 -9.986 1.00 0.00 C ATOM 1189 C GLU A 76 3.361 12.952 -8.484 1.00 0.00 C ATOM 1190 O GLU A 76 2.256 13.250 -8.033 1.00 0.00 O ATOM 1191 CB GLU A 76 4.052 11.601 -10.474 1.00 0.00 C ATOM 1192 CG GLU A 76 2.882 10.701 -10.835 1.00 0.00 C ATOM 1193 CD GLU A 76 2.417 10.895 -12.266 1.00 0.00 C ATOM 1194 OE1 GLU A 76 1.574 11.786 -12.500 1.00 0.00 O ATOM 1195 OE2 GLU A 76 2.896 10.155 -13.150 1.00 0.00 O ATOM 0 H GLU A 76 5.511 13.579 -10.699 1.00 0.00 H new ATOM 0 HA GLU A 76 2.711 13.282 -10.495 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.697 11.712 -11.346 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.646 11.117 -9.698 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.170 9.660 -10.688 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.052 10.900 -10.157 1.00 0.00 H new ATOM 1202 N ALA A 77 4.381 12.583 -7.716 1.00 0.00 N ATOM 1203 CA ALA A 77 4.257 12.508 -6.266 1.00 0.00 C ATOM 1204 C ALA A 77 3.672 13.797 -5.698 1.00 0.00 C ATOM 1205 O ALA A 77 2.608 13.786 -5.078 1.00 0.00 O ATOM 1206 CB ALA A 77 5.611 12.218 -5.634 1.00 0.00 C ATOM 0 H ALA A 77 5.302 12.331 -8.074 1.00 0.00 H new ATOM 0 HA ALA A 77 3.574 11.693 -6.026 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.503 12.165 -4.551 1.00 0.00 H new ATOM 0 HB2 ALA A 77 5.991 11.267 -6.008 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.310 13.014 -5.890 1.00 0.00 H new ATOM 1212 N ASP A 78 4.373 14.904 -5.912 1.00 0.00 N ATOM 1213 CA ASP A 78 3.923 16.202 -5.421 1.00 0.00 C ATOM 1214 C ASP A 78 2.434 16.397 -5.690 1.00 0.00 C ATOM 1215 O ASP A 78 1.743 17.087 -4.941 1.00 0.00 O ATOM 1216 CB ASP A 78 4.724 17.326 -6.079 1.00 0.00 C ATOM 1217 CG ASP A 78 4.649 18.624 -5.299 1.00 0.00 C ATOM 1218 OD1 ASP A 78 3.531 19.156 -5.139 1.00 0.00 O ATOM 1219 OD2 ASP A 78 5.708 19.106 -4.848 1.00 0.00 O ATOM 0 H ASP A 78 5.256 14.929 -6.422 1.00 0.00 H new ATOM 0 HA ASP A 78 4.087 16.233 -4.344 1.00 0.00 H new ATOM 0 HB2 ASP A 78 5.766 17.020 -6.170 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.351 17.491 -7.090 1.00 0.00 H new ATOM 1224 N TYR A 79 1.947 15.786 -6.764 1.00 0.00 N ATOM 1225 CA TYR A 79 0.541 15.896 -7.134 1.00 0.00 C ATOM 1226 C TYR A 79 -0.272 14.754 -6.531 1.00 0.00 C ATOM 1227 O TYR A 79 -1.479 14.881 -6.319 1.00 0.00 O ATOM 1228 CB TYR A 79 0.391 15.894 -8.657 1.00 0.00 C ATOM 1229 CG TYR A 79 -1.045 15.816 -9.123 1.00 0.00 C ATOM 1230 CD1 TYR A 79 -2.060 16.458 -8.423 1.00 0.00 C ATOM 1231 CD2 TYR A 79 -1.388 15.101 -10.264 1.00 0.00 C ATOM 1232 CE1 TYR A 79 -3.373 16.389 -8.845 1.00 0.00 C ATOM 1233 CE2 TYR A 79 -2.699 15.028 -10.694 1.00 0.00 C ATOM 1234 CZ TYR A 79 -3.688 15.674 -9.981 1.00 0.00 C ATOM 1235 OH TYR A 79 -4.995 15.602 -10.406 1.00 0.00 O ATOM 0 H TYR A 79 2.505 15.209 -7.394 1.00 0.00 H new ATOM 0 HA TYR A 79 0.160 16.838 -6.739 1.00 0.00 H new ATOM 0 HB2 TYR A 79 0.846 16.799 -9.060 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.944 15.049 -9.067 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -1.817 17.021 -7.534 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -0.617 14.594 -10.824 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -4.149 16.893 -8.288 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.948 14.468 -11.583 1.00 0.00 H new ATOM 0 HH TYR A 79 -5.044 15.061 -11.222 1.00 0.00 H new ATOM 1245 N CYS A 80 0.398 13.641 -6.256 1.00 0.00 N ATOM 1246 CA CYS A 80 -0.260 12.476 -5.676 1.00 0.00 C ATOM 1247 C CYS A 80 -0.483 12.665 -4.179 1.00 0.00 C ATOM 1248 O CYS A 80 -1.352 12.026 -3.585 1.00 0.00 O ATOM 1249 CB CYS A 80 0.573 11.217 -5.924 1.00 0.00 C ATOM 1250 SG CYS A 80 0.856 10.853 -7.673 1.00 0.00 S ATOM 0 H CYS A 80 1.397 13.521 -6.425 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.231 12.362 -6.158 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.536 11.328 -5.426 1.00 0.00 H new ATOM 0 HB3 CYS A 80 0.072 10.366 -5.463 1.00 0.00 H new ATOM 0 HG CYS A 80 -0.208 10.305 -8.180 1.00 0.00 H new ATOM 1256 N ILE A 81 0.307 13.546 -3.576 1.00 0.00 N ATOM 1257 CA ILE A 81 0.197 13.820 -2.148 1.00 0.00 C ATOM 1258 C ILE A 81 -1.005 14.710 -1.851 1.00 0.00 C ATOM 1259 O ILE A 81 -1.546 14.690 -0.746 1.00 0.00 O ATOM 1260 CB ILE A 81 1.469 14.495 -1.604 1.00 0.00 C ATOM 1261 CG1 ILE A 81 1.432 15.999 -1.879 1.00 0.00 C ATOM 1262 CG2 ILE A 81 2.708 13.867 -2.224 1.00 0.00 C ATOM 1263 CD1 ILE A 81 0.687 16.788 -0.826 1.00 0.00 C ATOM 0 H ILE A 81 1.031 14.083 -4.054 1.00 0.00 H new ATOM 0 HA ILE A 81 0.066 12.859 -1.651 1.00 0.00 H new ATOM 0 HB ILE A 81 1.510 14.344 -0.525 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.454 16.373 -1.946 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.965 16.171 -2.849 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.599 14.355 -1.830 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.738 12.805 -1.981 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.676 13.991 -3.306 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.701 17.846 -1.086 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.345 16.441 -0.774 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.167 16.646 0.142 1.00 0.00 H new ATOM 1275 N GLN A 82 -1.418 15.490 -2.845 1.00 0.00 N ATOM 1276 CA GLN A 82 -2.557 16.387 -2.690 1.00 0.00 C ATOM 1277 C GLN A 82 -3.853 15.696 -3.100 1.00 0.00 C ATOM 1278 O GLN A 82 -4.939 16.080 -2.663 1.00 0.00 O ATOM 1279 CB GLN A 82 -2.353 17.653 -3.524 1.00 0.00 C ATOM 1280 CG GLN A 82 -1.779 17.385 -4.906 1.00 0.00 C ATOM 1281 CD GLN A 82 -1.720 18.633 -5.765 1.00 0.00 C ATOM 1282 OE1 GLN A 82 -2.699 19.000 -6.414 1.00 0.00 O ATOM 1283 NE2 GLN A 82 -0.567 19.292 -5.772 1.00 0.00 N ATOM 0 H GLN A 82 -0.981 15.519 -3.766 1.00 0.00 H new ATOM 0 HA GLN A 82 -2.631 16.662 -1.638 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -3.309 18.166 -3.630 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.686 18.328 -2.987 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -0.776 16.970 -4.805 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.386 16.631 -5.408 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.219 18.951 -5.218 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -0.467 20.139 -6.331 1.00 0.00 H new ATOM 1292 N THR A 83 -3.733 14.675 -3.942 1.00 0.00 N ATOM 1293 CA THR A 83 -4.896 13.932 -4.413 1.00 0.00 C ATOM 1294 C THR A 83 -5.133 12.688 -3.565 1.00 0.00 C ATOM 1295 O THR A 83 -6.251 12.176 -3.495 1.00 0.00 O ATOM 1296 CB THR A 83 -4.735 13.512 -5.886 1.00 0.00 C ATOM 1297 OG1 THR A 83 -4.890 14.651 -6.740 1.00 0.00 O ATOM 1298 CG2 THR A 83 -5.757 12.449 -6.260 1.00 0.00 C ATOM 0 H THR A 83 -2.842 14.343 -4.312 1.00 0.00 H new ATOM 0 HA THR A 83 -5.754 14.598 -4.324 1.00 0.00 H new ATOM 0 HB THR A 83 -3.736 13.095 -6.015 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.055 14.811 -7.227 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.624 12.168 -7.305 1.00 0.00 H new ATOM 0 HG22 THR A 83 -5.618 11.572 -5.628 1.00 0.00 H new ATOM 0 HG23 THR A 83 -6.763 12.844 -6.116 1.00 0.00 H new ATOM 1306 N LEU A 84 -4.076 12.206 -2.920 1.00 0.00 N ATOM 1307 CA LEU A 84 -4.170 11.021 -2.075 1.00 0.00 C ATOM 1308 C LEU A 84 -4.401 11.409 -0.618 1.00 0.00 C ATOM 1309 O LEU A 84 -4.691 10.557 0.223 1.00 0.00 O ATOM 1310 CB LEU A 84 -2.896 10.182 -2.196 1.00 0.00 C ATOM 1311 CG LEU A 84 -2.600 9.608 -3.582 1.00 0.00 C ATOM 1312 CD1 LEU A 84 -1.204 9.006 -3.622 1.00 0.00 C ATOM 1313 CD2 LEU A 84 -3.643 8.569 -3.963 1.00 0.00 C ATOM 0 H LEU A 84 -3.144 12.618 -2.966 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.021 10.429 -2.414 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.049 10.797 -1.891 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.961 9.355 -1.489 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.644 10.420 -4.308 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.010 8.602 -4.616 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.468 9.777 -3.394 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.131 8.206 -2.885 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.416 8.172 -4.952 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.632 7.758 -3.235 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.630 9.032 -3.975 1.00 0.00 H new ATOM 1325 N ASP A 85 -4.272 12.698 -0.327 1.00 0.00 N ATOM 1326 CA ASP A 85 -4.470 13.200 1.028 1.00 0.00 C ATOM 1327 C ASP A 85 -5.926 13.046 1.457 1.00 0.00 C ATOM 1328 O ASP A 85 -6.276 13.309 2.607 1.00 0.00 O ATOM 1329 CB ASP A 85 -4.051 14.668 1.118 1.00 0.00 C ATOM 1330 CG ASP A 85 -4.806 15.546 0.140 1.00 0.00 C ATOM 1331 OD1 ASP A 85 -5.916 15.154 -0.275 1.00 0.00 O ATOM 1332 OD2 ASP A 85 -4.287 16.627 -0.208 1.00 0.00 O ATOM 0 H ASP A 85 -4.031 13.415 -1.011 1.00 0.00 H new ATOM 0 HA ASP A 85 -3.847 12.611 1.702 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.220 15.030 2.132 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -2.981 14.750 0.925 1.00 0.00 H new ATOM 1337 N GLY A 86 -6.771 12.621 0.523 1.00 0.00 N ATOM 1338 CA GLY A 86 -8.180 12.441 0.824 1.00 0.00 C ATOM 1339 C GLY A 86 -8.658 11.031 0.541 1.00 0.00 C ATOM 1340 O GLY A 86 -9.834 10.718 0.728 1.00 0.00 O ATOM 0 H GLY A 86 -6.506 12.398 -0.436 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.357 12.678 1.873 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -8.767 13.145 0.235 1.00 0.00 H new ATOM 1344 N ARG A 87 -7.745 10.178 0.089 1.00 0.00 N ATOM 1345 CA ARG A 87 -8.080 8.793 -0.223 1.00 0.00 C ATOM 1346 C ARG A 87 -8.753 8.116 0.968 1.00 0.00 C ATOM 1347 O ARG A 87 -8.697 8.615 2.091 1.00 0.00 O ATOM 1348 CB ARG A 87 -6.823 8.019 -0.621 1.00 0.00 C ATOM 1349 CG ARG A 87 -6.367 8.287 -2.046 1.00 0.00 C ATOM 1350 CD ARG A 87 -7.004 7.316 -3.027 1.00 0.00 C ATOM 1351 NE ARG A 87 -8.306 7.785 -3.494 1.00 0.00 N ATOM 1352 CZ ARG A 87 -9.064 7.113 -4.353 1.00 0.00 C ATOM 1353 NH1 ARG A 87 -8.653 5.949 -4.836 1.00 0.00 N ATOM 1354 NH2 ARG A 87 -10.237 7.606 -4.731 1.00 0.00 N ATOM 0 H ARG A 87 -6.767 10.421 -0.070 1.00 0.00 H new ATOM 0 HA ARG A 87 -8.777 8.793 -1.061 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.016 8.277 0.064 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.012 6.952 -0.504 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.624 9.309 -2.325 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.282 8.204 -2.103 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.341 7.177 -3.881 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.119 6.342 -2.550 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.652 8.677 -3.141 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.752 5.567 -4.548 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.238 5.435 -5.496 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -10.557 8.501 -4.362 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.819 7.089 -5.391 1.00 0.00 H new ATOM 1368 N TRP A 88 -9.387 6.978 0.713 1.00 0.00 N ATOM 1369 CA TRP A 88 -10.071 6.232 1.763 1.00 0.00 C ATOM 1370 C TRP A 88 -9.624 4.775 1.776 1.00 0.00 C ATOM 1371 O TRP A 88 -9.797 4.053 0.793 1.00 0.00 O ATOM 1372 CB TRP A 88 -11.587 6.312 1.570 1.00 0.00 C ATOM 1373 CG TRP A 88 -12.150 7.674 1.842 1.00 0.00 C ATOM 1374 CD1 TRP A 88 -12.068 8.771 1.033 1.00 0.00 C ATOM 1375 CD2 TRP A 88 -12.878 8.083 3.004 1.00 0.00 C ATOM 1376 NE1 TRP A 88 -12.702 9.838 1.622 1.00 0.00 N ATOM 1377 CE2 TRP A 88 -13.209 9.442 2.832 1.00 0.00 C ATOM 1378 CE3 TRP A 88 -13.286 7.434 4.172 1.00 0.00 C ATOM 1379 CZ2 TRP A 88 -13.926 10.160 3.785 1.00 0.00 C ATOM 1380 CZ3 TRP A 88 -13.997 8.149 5.118 1.00 0.00 C ATOM 1381 CH2 TRP A 88 -14.312 9.500 4.919 1.00 0.00 C ATOM 0 H TRP A 88 -9.442 6.551 -0.212 1.00 0.00 H new ATOM 0 HA TRP A 88 -9.810 6.681 2.721 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -11.832 6.023 0.548 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -12.068 5.590 2.229 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -11.577 8.796 0.071 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -12.782 10.773 1.223 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -13.050 6.392 4.333 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -14.169 11.201 3.634 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -14.315 7.658 6.026 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -14.871 10.030 5.676 1.00 0.00 H new ATOM 1392 N PHE A 89 -9.048 4.347 2.894 1.00 0.00 N ATOM 1393 CA PHE A 89 -8.574 2.975 3.034 1.00 0.00 C ATOM 1394 C PHE A 89 -9.213 2.300 4.244 1.00 0.00 C ATOM 1395 O PHE A 89 -9.348 2.904 5.307 1.00 0.00 O ATOM 1396 CB PHE A 89 -7.050 2.949 3.168 1.00 0.00 C ATOM 1397 CG PHE A 89 -6.332 3.033 1.851 1.00 0.00 C ATOM 1398 CD1 PHE A 89 -6.593 4.069 0.969 1.00 0.00 C ATOM 1399 CD2 PHE A 89 -5.395 2.076 1.496 1.00 0.00 C ATOM 1400 CE1 PHE A 89 -5.934 4.147 -0.243 1.00 0.00 C ATOM 1401 CE2 PHE A 89 -4.733 2.149 0.285 1.00 0.00 C ATOM 1402 CZ PHE A 89 -5.002 3.187 -0.585 1.00 0.00 C ATOM 0 H PHE A 89 -8.898 4.931 3.717 1.00 0.00 H new ATOM 0 HA PHE A 89 -8.862 2.425 2.138 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.734 3.780 3.799 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.753 2.032 3.677 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.319 4.824 1.232 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.179 1.263 2.174 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.148 4.959 -0.923 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.006 1.395 0.020 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.485 3.248 -1.531 1.00 0.00 H new ATOM 1412 N GLY A 90 -9.606 1.041 4.073 1.00 0.00 N ATOM 1413 CA GLY A 90 -10.227 0.304 5.158 1.00 0.00 C ATOM 1414 C GLY A 90 -11.562 0.891 5.569 1.00 0.00 C ATOM 1415 O GLY A 90 -12.194 0.417 6.512 1.00 0.00 O ATOM 0 H GLY A 90 -9.505 0.519 3.203 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.368 -0.733 4.854 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.557 0.296 6.018 1.00 0.00 H new ATOM 1419 N GLY A 91 -11.994 1.930 4.859 1.00 0.00 N ATOM 1420 CA GLY A 91 -13.260 2.567 5.172 1.00 0.00 C ATOM 1421 C GLY A 91 -13.082 3.963 5.736 1.00 0.00 C ATOM 1422 O GLY A 91 -14.051 4.709 5.880 1.00 0.00 O ATOM 0 H GLY A 91 -11.490 2.341 4.073 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -13.871 2.618 4.270 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -13.804 1.954 5.891 1.00 0.00 H new ATOM 1426 N ARG A 92 -11.842 4.316 6.058 1.00 0.00 N ATOM 1427 CA ARG A 92 -11.542 5.630 6.613 1.00 0.00 C ATOM 1428 C ARG A 92 -10.649 6.429 5.667 1.00 0.00 C ATOM 1429 O ARG A 92 -9.933 5.858 4.845 1.00 0.00 O ATOM 1430 CB ARG A 92 -10.861 5.489 7.976 1.00 0.00 C ATOM 1431 CG ARG A 92 -9.466 4.891 7.900 1.00 0.00 C ATOM 1432 CD ARG A 92 -9.079 4.212 9.205 1.00 0.00 C ATOM 1433 NE ARG A 92 -9.769 2.937 9.384 1.00 0.00 N ATOM 1434 CZ ARG A 92 -9.425 1.821 8.752 1.00 0.00 C ATOM 1435 NH1 ARG A 92 -8.405 1.822 7.904 1.00 0.00 N ATOM 1436 NH2 ARG A 92 -10.101 0.700 8.967 1.00 0.00 N ATOM 0 H ARG A 92 -11.029 3.710 5.944 1.00 0.00 H new ATOM 0 HA ARG A 92 -12.482 6.167 6.738 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -10.801 6.471 8.446 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -11.481 4.864 8.619 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -9.423 4.168 7.086 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -8.745 5.675 7.669 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -8.002 4.047 9.222 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -9.314 4.872 10.040 1.00 0.00 H new ATOM 0 HE ARG A 92 -10.558 2.902 10.030 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -7.882 2.682 7.736 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -8.143 0.963 7.420 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -10.886 0.695 9.618 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -9.836 -0.157 8.481 1.00 0.00 H new ATOM 1450 N GLN A 93 -10.699 7.751 5.790 1.00 0.00 N ATOM 1451 CA GLN A 93 -9.896 8.627 4.945 1.00 0.00 C ATOM 1452 C GLN A 93 -8.428 8.581 5.353 1.00 0.00 C ATOM 1453 O GLN A 93 -8.098 8.203 6.478 1.00 0.00 O ATOM 1454 CB GLN A 93 -10.415 10.064 5.025 1.00 0.00 C ATOM 1455 CG GLN A 93 -10.199 10.861 3.748 1.00 0.00 C ATOM 1456 CD GLN A 93 -10.332 12.355 3.964 1.00 0.00 C ATOM 1457 OE1 GLN A 93 -10.387 12.828 5.100 1.00 0.00 O ATOM 1458 NE2 GLN A 93 -10.383 13.109 2.872 1.00 0.00 N ATOM 0 H GLN A 93 -11.287 8.239 6.466 1.00 0.00 H new ATOM 0 HA GLN A 93 -9.980 8.275 3.917 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -11.480 10.044 5.255 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -9.920 10.575 5.851 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -9.208 10.642 3.351 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -10.921 10.540 2.997 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -10.334 12.675 1.950 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -10.471 14.122 2.955 1.00 0.00 H new ATOM 1467 N ILE A 94 -7.550 8.967 4.433 1.00 0.00 N ATOM 1468 CA ILE A 94 -6.117 8.970 4.698 1.00 0.00 C ATOM 1469 C ILE A 94 -5.466 10.252 4.189 1.00 0.00 C ATOM 1470 O ILE A 94 -5.939 10.863 3.230 1.00 0.00 O ATOM 1471 CB ILE A 94 -5.421 7.760 4.047 1.00 0.00 C ATOM 1472 CG1 ILE A 94 -5.343 7.946 2.530 1.00 0.00 C ATOM 1473 CG2 ILE A 94 -6.160 6.476 4.392 1.00 0.00 C ATOM 1474 CD1 ILE A 94 -4.753 6.756 1.806 1.00 0.00 C ATOM 0 H ILE A 94 -7.806 9.282 3.497 1.00 0.00 H new ATOM 0 HA ILE A 94 -5.996 8.909 5.780 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.406 7.688 4.438 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -6.344 8.137 2.143 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -4.743 8.829 2.310 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -5.656 5.630 3.925 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.169 6.341 5.474 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -7.185 6.536 4.025 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.728 6.957 0.735 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.739 6.577 2.165 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.366 5.875 1.995 1.00 0.00 H new ATOM 1486 N THR A 95 -4.376 10.653 4.836 1.00 0.00 N ATOM 1487 CA THR A 95 -3.659 11.861 4.448 1.00 0.00 C ATOM 1488 C THR A 95 -2.329 11.523 3.786 1.00 0.00 C ATOM 1489 O THR A 95 -1.733 10.483 4.064 1.00 0.00 O ATOM 1490 CB THR A 95 -3.398 12.773 5.662 1.00 0.00 C ATOM 1491 OG1 THR A 95 -2.802 14.002 5.232 1.00 0.00 O ATOM 1492 CG2 THR A 95 -2.488 12.087 6.669 1.00 0.00 C ATOM 0 H THR A 95 -3.971 10.159 5.631 1.00 0.00 H new ATOM 0 HA THR A 95 -4.292 12.389 3.735 1.00 0.00 H new ATOM 0 HB THR A 95 -4.353 12.982 6.144 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.641 14.577 6.009 1.00 0.00 H new ATOM 0 HG21 THR A 95 -2.318 12.750 7.517 1.00 0.00 H new ATOM 0 HG22 THR A 95 -2.958 11.167 7.016 1.00 0.00 H new ATOM 0 HG23 THR A 95 -1.535 11.851 6.196 1.00 0.00 H new ATOM 1500 N ALA A 96 -1.868 12.408 2.909 1.00 0.00 N ATOM 1501 CA ALA A 96 -0.605 12.204 2.209 1.00 0.00 C ATOM 1502 C ALA A 96 0.318 13.405 2.380 1.00 0.00 C ATOM 1503 O ALA A 96 -0.142 14.533 2.553 1.00 0.00 O ATOM 1504 CB ALA A 96 -0.858 11.936 0.732 1.00 0.00 C ATOM 0 H ALA A 96 -2.350 13.273 2.666 1.00 0.00 H new ATOM 0 HA ALA A 96 -0.112 11.336 2.646 1.00 0.00 H new ATOM 0 HB1 ALA A 96 0.093 11.786 0.221 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.473 11.042 0.624 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -1.376 12.788 0.291 1.00 0.00 H new ATOM 1510 N GLN A 97 1.623 13.154 2.332 1.00 0.00 N ATOM 1511 CA GLN A 97 2.610 14.216 2.484 1.00 0.00 C ATOM 1512 C GLN A 97 3.984 13.754 2.010 1.00 0.00 C ATOM 1513 O GLN A 97 4.252 12.556 1.928 1.00 0.00 O ATOM 1514 CB GLN A 97 2.686 14.666 3.944 1.00 0.00 C ATOM 1515 CG GLN A 97 2.792 13.515 4.931 1.00 0.00 C ATOM 1516 CD GLN A 97 1.439 13.051 5.433 1.00 0.00 C ATOM 1517 OE1 GLN A 97 0.989 13.458 6.505 1.00 0.00 O ATOM 1518 NE2 GLN A 97 0.782 12.195 4.660 1.00 0.00 N ATOM 0 H GLN A 97 2.020 12.225 2.189 1.00 0.00 H new ATOM 0 HA GLN A 97 2.297 15.059 1.867 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.548 15.321 4.069 1.00 0.00 H new ATOM 0 HB3 GLN A 97 1.800 15.256 4.180 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.305 12.679 4.455 1.00 0.00 H new ATOM 0 HG3 GLN A 97 3.404 13.823 5.779 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.193 11.884 3.780 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.133 11.848 4.946 1.00 0.00 H new ATOM 1527 N ALA A 98 4.850 14.712 1.698 1.00 0.00 N ATOM 1528 CA ALA A 98 6.197 14.403 1.234 1.00 0.00 C ATOM 1529 C ALA A 98 7.134 14.134 2.406 1.00 0.00 C ATOM 1530 O ALA A 98 7.183 14.907 3.363 1.00 0.00 O ATOM 1531 CB ALA A 98 6.734 15.540 0.377 1.00 0.00 C ATOM 0 H ALA A 98 4.643 15.709 1.758 1.00 0.00 H new ATOM 0 HA ALA A 98 6.147 13.498 0.628 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.741 15.296 0.037 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.084 15.683 -0.487 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.762 16.457 0.965 1.00 0.00 H new ATOM 1537 N TRP A 99 7.874 13.035 2.326 1.00 0.00 N ATOM 1538 CA TRP A 99 8.809 12.664 3.382 1.00 0.00 C ATOM 1539 C TRP A 99 10.168 13.321 3.161 1.00 0.00 C ATOM 1540 O TRP A 99 10.507 13.706 2.042 1.00 0.00 O ATOM 1541 CB TRP A 99 8.968 11.144 3.441 1.00 0.00 C ATOM 1542 CG TRP A 99 9.795 10.677 4.600 1.00 0.00 C ATOM 1543 CD1 TRP A 99 9.698 11.094 5.897 1.00 0.00 C ATOM 1544 CD2 TRP A 99 10.847 9.706 4.566 1.00 0.00 C ATOM 1545 NE1 TRP A 99 10.626 10.441 6.671 1.00 0.00 N ATOM 1546 CE2 TRP A 99 11.343 9.583 5.879 1.00 0.00 C ATOM 1547 CE3 TRP A 99 11.417 8.927 3.555 1.00 0.00 C ATOM 1548 CZ2 TRP A 99 12.381 8.714 6.204 1.00 0.00 C ATOM 1549 CZ3 TRP A 99 12.447 8.066 3.879 1.00 0.00 C ATOM 1550 CH2 TRP A 99 12.920 7.964 5.194 1.00 0.00 C ATOM 0 H TRP A 99 7.845 12.385 1.541 1.00 0.00 H new ATOM 0 HA TRP A 99 8.405 13.017 4.331 1.00 0.00 H new ATOM 0 HB2 TRP A 99 7.981 10.685 3.500 1.00 0.00 H new ATOM 0 HB3 TRP A 99 9.426 10.798 2.514 1.00 0.00 H new ATOM 0 HD1 TRP A 99 8.995 11.829 6.260 1.00 0.00 H new ATOM 0 HE1 TRP A 99 10.760 10.573 7.673 1.00 0.00 H new ATOM 0 HE3 TRP A 99 11.058 8.997 2.539 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 12.748 8.635 7.217 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 12.896 7.461 3.105 1.00 0.00 H new ATOM 0 HH2 TRP A 99 13.726 7.280 5.415 1.00 0.00 H new ATOM 1561 N ASP A 100 10.941 13.444 4.234 1.00 0.00 N ATOM 1562 CA ASP A 100 12.264 14.054 4.156 1.00 0.00 C ATOM 1563 C ASP A 100 13.353 13.026 4.447 1.00 0.00 C ATOM 1564 O ASP A 100 14.164 12.703 3.580 1.00 0.00 O ATOM 1565 CB ASP A 100 12.370 15.220 5.140 1.00 0.00 C ATOM 1566 CG ASP A 100 11.594 16.438 4.680 1.00 0.00 C ATOM 1567 OD1 ASP A 100 11.593 16.716 3.463 1.00 0.00 O ATOM 1568 OD2 ASP A 100 10.988 17.114 5.537 1.00 0.00 O ATOM 0 H ASP A 100 10.675 13.130 5.167 1.00 0.00 H new ATOM 0 HA ASP A 100 12.405 14.430 3.143 1.00 0.00 H new ATOM 0 HB2 ASP A 100 11.999 14.904 6.115 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.419 15.488 5.269 1.00 0.00 H new ATOM 1573 N GLY A 101 13.367 12.516 5.675 1.00 0.00 N ATOM 1574 CA GLY A 101 14.361 11.531 6.059 1.00 0.00 C ATOM 1575 C GLY A 101 14.764 11.651 7.515 1.00 0.00 C ATOM 1576 O GLY A 101 15.946 11.791 7.831 1.00 0.00 O ATOM 0 H GLY A 101 12.707 12.768 6.411 1.00 0.00 H new ATOM 0 HA2 GLY A 101 13.967 10.531 5.875 1.00 0.00 H new ATOM 0 HA3 GLY A 101 15.244 11.646 5.430 1.00 0.00 H new ATOM 1580 N THR A 102 13.779 11.598 8.406 1.00 0.00 N ATOM 1581 CA THR A 102 14.037 11.705 9.837 1.00 0.00 C ATOM 1582 C THR A 102 13.277 10.636 10.613 1.00 0.00 C ATOM 1583 O THR A 102 13.754 10.136 11.633 1.00 0.00 O ATOM 1584 CB THR A 102 13.642 13.093 10.377 1.00 0.00 C ATOM 1585 OG1 THR A 102 13.654 13.083 11.809 1.00 0.00 O ATOM 1586 CG2 THR A 102 12.263 13.495 9.878 1.00 0.00 C ATOM 0 H THR A 102 12.795 11.482 8.162 1.00 0.00 H new ATOM 0 HA THR A 102 15.108 11.560 9.977 1.00 0.00 H new ATOM 0 HB THR A 102 14.368 13.820 10.014 1.00 0.00 H new ATOM 0 HG1 THR A 102 13.403 13.969 12.144 1.00 0.00 H new ATOM 0 HG21 THR A 102 12.006 14.478 10.272 1.00 0.00 H new ATOM 0 HG22 THR A 102 12.266 13.530 8.789 1.00 0.00 H new ATOM 0 HG23 THR A 102 11.527 12.765 10.215 1.00 0.00 H new ATOM 1594 N THR A 103 12.091 10.286 10.125 1.00 0.00 N ATOM 1595 CA THR A 103 11.265 9.276 10.773 1.00 0.00 C ATOM 1596 C THR A 103 11.986 7.934 10.838 1.00 0.00 C ATOM 1597 O THR A 103 12.825 7.628 9.991 1.00 0.00 O ATOM 1598 CB THR A 103 9.924 9.090 10.038 1.00 0.00 C ATOM 1599 OG1 THR A 103 8.979 8.443 10.898 1.00 0.00 O ATOM 1600 CG2 THR A 103 10.111 8.267 8.772 1.00 0.00 C ATOM 0 H THR A 103 11.681 10.688 9.282 1.00 0.00 H new ATOM 0 HA THR A 103 11.070 9.630 11.785 1.00 0.00 H new ATOM 0 HB THR A 103 9.547 10.075 9.761 1.00 0.00 H new ATOM 0 HG1 THR A 103 8.444 7.808 10.377 1.00 0.00 H new ATOM 0 HG21 THR A 103 9.151 8.149 8.270 1.00 0.00 H new ATOM 0 HG22 THR A 103 10.808 8.776 8.107 1.00 0.00 H new ATOM 0 HG23 THR A 103 10.508 7.286 9.031 1.00 0.00 H new ATOM 1608 N ASP A 104 11.654 7.138 11.848 1.00 0.00 N ATOM 1609 CA ASP A 104 12.269 5.827 12.023 1.00 0.00 C ATOM 1610 C ASP A 104 11.277 4.714 11.701 1.00 0.00 C ATOM 1611 O ASP A 104 11.360 3.616 12.252 1.00 0.00 O ATOM 1612 CB ASP A 104 12.786 5.669 13.454 1.00 0.00 C ATOM 1613 CG ASP A 104 11.673 5.731 14.481 1.00 0.00 C ATOM 1614 OD1 ASP A 104 10.671 6.432 14.229 1.00 0.00 O ATOM 1615 OD2 ASP A 104 11.804 5.078 15.538 1.00 0.00 O ATOM 0 H ASP A 104 10.962 7.377 12.558 1.00 0.00 H new ATOM 0 HA ASP A 104 13.108 5.752 11.332 1.00 0.00 H new ATOM 0 HB2 ASP A 104 13.308 4.717 13.546 1.00 0.00 H new ATOM 0 HB3 ASP A 104 13.514 6.453 13.663 1.00 0.00 H new ATOM 1620 N TYR A 105 10.339 5.005 10.807 1.00 0.00 N ATOM 1621 CA TYR A 105 9.328 4.030 10.414 1.00 0.00 C ATOM 1622 C TYR A 105 9.975 2.708 10.009 1.00 0.00 C ATOM 1623 O TYR A 105 9.815 1.694 10.687 1.00 0.00 O ATOM 1624 CB TYR A 105 8.486 4.573 9.259 1.00 0.00 C ATOM 1625 CG TYR A 105 7.635 5.764 9.638 1.00 0.00 C ATOM 1626 CD1 TYR A 105 6.867 5.753 10.796 1.00 0.00 C ATOM 1627 CD2 TYR A 105 7.599 6.900 8.839 1.00 0.00 C ATOM 1628 CE1 TYR A 105 6.087 6.839 11.146 1.00 0.00 C ATOM 1629 CE2 TYR A 105 6.823 7.990 9.182 1.00 0.00 C ATOM 1630 CZ TYR A 105 6.069 7.955 10.337 1.00 0.00 C ATOM 1631 OH TYR A 105 5.295 9.039 10.681 1.00 0.00 O ATOM 0 H TYR A 105 10.257 5.908 10.340 1.00 0.00 H new ATOM 0 HA TYR A 105 8.681 3.850 11.272 1.00 0.00 H new ATOM 0 HB2 TYR A 105 9.147 4.855 8.440 1.00 0.00 H new ATOM 0 HB3 TYR A 105 7.839 3.778 8.887 1.00 0.00 H new ATOM 0 HD1 TYR A 105 6.880 4.881 11.433 1.00 0.00 H new ATOM 0 HD2 TYR A 105 8.188 6.931 7.934 1.00 0.00 H new ATOM 0 HE1 TYR A 105 5.495 6.813 12.049 1.00 0.00 H new ATOM 0 HE2 TYR A 105 6.807 8.865 8.549 1.00 0.00 H new ATOM 0 HH TYR A 105 5.397 9.741 10.005 1.00 0.00 H new ATOM 1641 N GLN A 106 10.706 2.731 8.899 1.00 0.00 N ATOM 1642 CA GLN A 106 11.377 1.535 8.403 1.00 0.00 C ATOM 1643 C GLN A 106 12.826 1.488 8.875 1.00 0.00 C ATOM 1644 O GLN A 106 13.385 0.413 9.089 1.00 0.00 O ATOM 1645 CB GLN A 106 11.324 1.492 6.875 1.00 0.00 C ATOM 1646 CG GLN A 106 12.344 2.399 6.205 1.00 0.00 C ATOM 1647 CD GLN A 106 11.944 3.860 6.251 1.00 0.00 C ATOM 1648 OE1 GLN A 106 12.646 4.690 6.829 1.00 0.00 O ATOM 1649 NE2 GLN A 106 10.811 4.183 5.638 1.00 0.00 N ATOM 0 H GLN A 106 10.849 3.563 8.327 1.00 0.00 H new ATOM 0 HA GLN A 106 10.856 0.665 8.802 1.00 0.00 H new ATOM 0 HB2 GLN A 106 11.488 0.467 6.543 1.00 0.00 H new ATOM 0 HB3 GLN A 106 10.325 1.778 6.546 1.00 0.00 H new ATOM 0 HG2 GLN A 106 13.311 2.275 6.693 1.00 0.00 H new ATOM 0 HG3 GLN A 106 12.470 2.093 5.166 1.00 0.00 H new ATOM 0 HE21 GLN A 106 10.260 3.462 5.171 1.00 0.00 H new ATOM 0 HE22 GLN A 106 10.492 5.152 5.634 1.00 0.00 H new ATOM 1658 N SER A 107 13.429 2.662 9.036 1.00 0.00 N ATOM 1659 CA SER A 107 14.815 2.755 9.478 1.00 0.00 C ATOM 1660 C SER A 107 14.902 2.723 11.001 1.00 0.00 C ATOM 1661 O SER A 107 14.395 3.614 11.682 1.00 0.00 O ATOM 1662 CB SER A 107 15.458 4.038 8.946 1.00 0.00 C ATOM 1663 OG SER A 107 16.827 4.108 9.304 1.00 0.00 O ATOM 0 H SER A 107 12.979 3.562 8.867 1.00 0.00 H new ATOM 0 HA SER A 107 15.355 1.895 9.082 1.00 0.00 H new ATOM 0 HB2 SER A 107 15.360 4.075 7.861 1.00 0.00 H new ATOM 0 HB3 SER A 107 14.930 4.905 9.343 1.00 0.00 H new ATOM 0 HG SER A 107 17.215 4.936 8.951 1.00 0.00 H new ATOM 1669 N GLY A 108 15.550 1.689 11.529 1.00 0.00 N ATOM 1670 CA GLY A 108 15.693 1.559 12.968 1.00 0.00 C ATOM 1671 C GLY A 108 15.694 0.113 13.422 1.00 0.00 C ATOM 1672 O GLY A 108 15.019 -0.741 12.847 1.00 0.00 O ATOM 0 H GLY A 108 15.978 0.939 10.986 1.00 0.00 H new ATOM 0 HA2 GLY A 108 16.621 2.036 13.282 1.00 0.00 H new ATOM 0 HA3 GLY A 108 14.879 2.091 13.460 1.00 0.00 H new ATOM 1676 N PRO A 109 16.468 -0.179 14.477 1.00 0.00 N ATOM 1677 CA PRO A 109 16.574 -1.532 15.031 1.00 0.00 C ATOM 1678 C PRO A 109 15.291 -1.977 15.725 1.00 0.00 C ATOM 1679 O PRO A 109 14.852 -3.116 15.567 1.00 0.00 O ATOM 1680 CB PRO A 109 17.716 -1.413 16.043 1.00 0.00 C ATOM 1681 CG PRO A 109 17.727 0.024 16.434 1.00 0.00 C ATOM 1682 CD PRO A 109 17.299 0.789 15.212 1.00 0.00 C ATOM 0 HA PRO A 109 16.750 -2.277 14.255 1.00 0.00 H new ATOM 0 HB2 PRO A 109 17.549 -2.057 16.906 1.00 0.00 H new ATOM 0 HB3 PRO A 109 18.668 -1.711 15.603 1.00 0.00 H new ATOM 0 HG2 PRO A 109 17.048 0.207 17.267 1.00 0.00 H new ATOM 0 HG3 PRO A 109 18.721 0.332 16.759 1.00 0.00 H new ATOM 0 HD2 PRO A 109 16.735 1.684 15.475 1.00 0.00 H new ATOM 0 HD3 PRO A 109 18.155 1.114 14.621 1.00 0.00 H new ATOM 1690 N SER A 110 14.695 -1.071 16.493 1.00 0.00 N ATOM 1691 CA SER A 110 13.463 -1.372 17.214 1.00 0.00 C ATOM 1692 C SER A 110 12.251 -1.237 16.297 1.00 0.00 C ATOM 1693 O SER A 110 11.590 -0.199 16.273 1.00 0.00 O ATOM 1694 CB SER A 110 13.313 -0.441 18.418 1.00 0.00 C ATOM 1695 OG SER A 110 12.443 -0.999 19.388 1.00 0.00 O ATOM 0 H SER A 110 15.045 -0.123 16.632 1.00 0.00 H new ATOM 0 HA SER A 110 13.518 -2.402 17.565 1.00 0.00 H new ATOM 0 HB2 SER A 110 14.291 -0.258 18.864 1.00 0.00 H new ATOM 0 HB3 SER A 110 12.926 0.524 18.090 1.00 0.00 H new ATOM 0 HG SER A 110 12.365 -0.386 20.148 1.00 0.00 H new ATOM 1701 N SER A 111 11.965 -2.295 15.545 1.00 0.00 N ATOM 1702 CA SER A 111 10.835 -2.294 14.624 1.00 0.00 C ATOM 1703 C SER A 111 9.544 -1.922 15.347 1.00 0.00 C ATOM 1704 O SER A 111 8.970 -2.732 16.073 1.00 0.00 O ATOM 1705 CB SER A 111 10.686 -3.668 13.966 1.00 0.00 C ATOM 1706 OG SER A 111 9.991 -3.570 12.734 1.00 0.00 O ATOM 0 H SER A 111 12.500 -3.163 15.556 1.00 0.00 H new ATOM 0 HA SER A 111 11.027 -1.548 13.853 1.00 0.00 H new ATOM 0 HB2 SER A 111 11.671 -4.103 13.798 1.00 0.00 H new ATOM 0 HB3 SER A 111 10.151 -4.340 14.637 1.00 0.00 H new ATOM 0 HG SER A 111 9.910 -4.460 12.332 1.00 0.00 H new ATOM 1712 N GLY A 112 9.094 -0.687 15.143 1.00 0.00 N ATOM 1713 CA GLY A 112 7.875 -0.228 15.782 1.00 0.00 C ATOM 1714 C GLY A 112 8.136 0.832 16.835 1.00 0.00 C ATOM 1715 O GLY A 112 8.191 0.531 18.027 1.00 0.00 O ATOM 0 H GLY A 112 9.552 0.003 14.547 1.00 0.00 H new ATOM 0 HA2 GLY A 112 7.201 0.174 15.026 1.00 0.00 H new ATOM 0 HA3 GLY A 112 7.368 -1.076 16.242 1.00 0.00 H new TER 1719 GLY A 112