USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 752 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 Single : A 1 GLY N :NH3+ -170:sc= 0 (180deg=-0.124) USER MOD Single : A 2 SER OG : rot 180:sc= -0.117 USER MOD Single : A 3 SER OG : rot 10:sc= 0.401 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.053 USER MOD Single : A 9 GLN : amide:sc= -0.671 K(o=-0.67,f=-1.2) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0909 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.361 X(o=-0.36,f=-0.74) USER MOD Single : A 28 ASN : amide:sc= -0.121 K(o=-0.12,f=-0.63) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl 166:sc= -1.88 (180deg=-2.63!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.113 K(o=-0.11,f=-0.86) USER MOD Single : A 38 GLN : amide:sc= -0.0248 X(o=-0.025,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.0627 K(o=-0.063,f=-1) USER MOD Single : A 52 LYS NZ :NH3+ 150:sc= -0.0967 (180deg=-0.542) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 120:sc= -1.06 USER MOD Single : A 64 ASN : amide:sc= -0.934 K(o=-0.93,f=-3.4!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -1.16 K(o=-1.2,f=-3.3!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.786 K(o=-0.79,f=-3.6!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -128:sc= 0.997 (180deg=-0.173) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc=-0.00741 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= -0.0188 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.986 -10.122 10.105 1.00 0.00 N ATOM 2 CA GLY A 1 -4.841 -10.635 10.834 1.00 0.00 C ATOM 3 C GLY A 1 -5.171 -11.884 11.627 1.00 0.00 C ATOM 4 O GLY A 1 -4.336 -12.778 11.766 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.675 -9.376 9.451 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.428 -10.893 9.566 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.677 -9.729 10.776 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.037 -10.856 10.132 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.471 -9.865 11.511 1.00 0.00 H new ATOM 8 N SER A 2 -6.392 -11.947 12.149 1.00 0.00 N ATOM 9 CA SER A 2 -6.829 -13.094 12.937 1.00 0.00 C ATOM 10 C SER A 2 -8.331 -13.312 12.791 1.00 0.00 C ATOM 11 O SER A 2 -9.059 -13.375 13.782 1.00 0.00 O ATOM 12 CB SER A 2 -6.471 -12.892 14.410 1.00 0.00 C ATOM 13 OG SER A 2 -5.123 -12.483 14.557 1.00 0.00 O ATOM 0 H SER A 2 -7.096 -11.217 12.040 1.00 0.00 H new ATOM 0 HA SER A 2 -6.314 -13.979 12.564 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.131 -12.143 14.848 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.634 -13.820 14.957 1.00 0.00 H new ATOM 0 HG SER A 2 -4.920 -12.359 15.508 1.00 0.00 H new ATOM 19 N SER A 3 -8.789 -13.427 11.548 1.00 0.00 N ATOM 20 CA SER A 3 -10.206 -13.634 11.272 1.00 0.00 C ATOM 21 C SER A 3 -10.397 -14.397 9.964 1.00 0.00 C ATOM 22 O SER A 3 -9.464 -14.548 9.178 1.00 0.00 O ATOM 23 CB SER A 3 -10.936 -12.292 11.204 1.00 0.00 C ATOM 24 OG SER A 3 -11.127 -11.749 12.498 1.00 0.00 O ATOM 0 H SER A 3 -8.200 -13.380 10.717 1.00 0.00 H new ATOM 0 HA SER A 3 -10.627 -14.227 12.084 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.363 -11.593 10.594 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.901 -12.424 10.716 1.00 0.00 H new ATOM 0 HG SER A 3 -10.612 -12.268 13.150 1.00 0.00 H new ATOM 30 N GLY A 4 -11.617 -14.878 9.740 1.00 0.00 N ATOM 31 CA GLY A 4 -11.911 -15.619 8.528 1.00 0.00 C ATOM 32 C GLY A 4 -11.891 -14.742 7.292 1.00 0.00 C ATOM 33 O GLY A 4 -11.438 -13.598 7.342 1.00 0.00 O ATOM 0 H GLY A 4 -12.406 -14.767 10.377 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.183 -16.422 8.411 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.891 -16.088 8.621 1.00 0.00 H new ATOM 37 N SER A 5 -12.382 -15.278 6.179 1.00 0.00 N ATOM 38 CA SER A 5 -12.414 -14.538 4.923 1.00 0.00 C ATOM 39 C SER A 5 -13.649 -14.905 4.107 1.00 0.00 C ATOM 40 O SER A 5 -14.272 -15.943 4.336 1.00 0.00 O ATOM 41 CB SER A 5 -11.149 -14.818 4.110 1.00 0.00 C ATOM 42 OG SER A 5 -10.493 -15.986 4.572 1.00 0.00 O ATOM 0 H SER A 5 -12.763 -16.222 6.122 1.00 0.00 H new ATOM 0 HA SER A 5 -12.459 -13.474 5.157 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.408 -14.935 3.058 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.473 -13.966 4.179 1.00 0.00 H new ATOM 0 HG SER A 5 -9.689 -16.144 4.035 1.00 0.00 H new ATOM 48 N SER A 6 -13.998 -14.047 3.154 1.00 0.00 N ATOM 49 CA SER A 6 -15.161 -14.278 2.306 1.00 0.00 C ATOM 50 C SER A 6 -14.774 -15.061 1.055 1.00 0.00 C ATOM 51 O SER A 6 -13.694 -14.868 0.498 1.00 0.00 O ATOM 52 CB SER A 6 -15.803 -12.947 1.910 1.00 0.00 C ATOM 53 OG SER A 6 -14.861 -11.890 1.967 1.00 0.00 O ATOM 0 H SER A 6 -13.492 -13.185 2.950 1.00 0.00 H new ATOM 0 HA SER A 6 -15.882 -14.866 2.873 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.210 -13.022 0.902 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.638 -12.730 2.576 1.00 0.00 H new ATOM 0 HG SER A 6 -15.295 -11.051 1.708 1.00 0.00 H new ATOM 59 N GLY A 7 -15.665 -15.946 0.618 1.00 0.00 N ATOM 60 CA GLY A 7 -15.400 -16.745 -0.564 1.00 0.00 C ATOM 61 C GLY A 7 -15.790 -16.034 -1.844 1.00 0.00 C ATOM 62 O GLY A 7 -15.679 -14.813 -1.943 1.00 0.00 O ATOM 0 H GLY A 7 -16.566 -16.124 1.062 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.340 -16.995 -0.600 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.947 -17.685 -0.493 1.00 0.00 H new ATOM 66 N GLY A 8 -16.248 -16.801 -2.829 1.00 0.00 N ATOM 67 CA GLY A 8 -16.648 -16.220 -4.097 1.00 0.00 C ATOM 68 C GLY A 8 -18.030 -15.599 -4.041 1.00 0.00 C ATOM 69 O GLY A 8 -18.520 -15.258 -2.965 1.00 0.00 O ATOM 0 H GLY A 8 -16.349 -17.814 -2.771 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -15.923 -15.460 -4.389 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -16.630 -16.991 -4.868 1.00 0.00 H new ATOM 73 N GLN A 9 -18.658 -15.450 -5.203 1.00 0.00 N ATOM 74 CA GLN A 9 -19.991 -14.864 -5.280 1.00 0.00 C ATOM 75 C GLN A 9 -20.582 -15.040 -6.675 1.00 0.00 C ATOM 76 O GLN A 9 -19.867 -14.983 -7.676 1.00 0.00 O ATOM 77 CB GLN A 9 -19.939 -13.378 -4.919 1.00 0.00 C ATOM 78 CG GLN A 9 -20.706 -13.034 -3.652 1.00 0.00 C ATOM 79 CD GLN A 9 -19.792 -12.701 -2.489 1.00 0.00 C ATOM 80 OE1 GLN A 9 -19.733 -13.434 -1.502 1.00 0.00 O ATOM 81 NE2 GLN A 9 -19.073 -11.590 -2.600 1.00 0.00 N ATOM 0 H GLN A 9 -18.266 -15.727 -6.103 1.00 0.00 H new ATOM 0 HA GLN A 9 -20.631 -15.382 -4.566 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -18.898 -13.078 -4.797 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -20.343 -12.797 -5.748 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -21.362 -12.186 -3.848 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -21.344 -13.874 -3.379 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -19.153 -11.012 -3.437 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -18.440 -11.315 -1.849 1.00 0.00 H new ATOM 90 N LEU A 10 -21.892 -15.253 -6.734 1.00 0.00 N ATOM 91 CA LEU A 10 -22.581 -15.438 -8.007 1.00 0.00 C ATOM 92 C LEU A 10 -23.367 -14.187 -8.387 1.00 0.00 C ATOM 93 O LEU A 10 -24.482 -14.276 -8.903 1.00 0.00 O ATOM 94 CB LEU A 10 -23.521 -16.642 -7.931 1.00 0.00 C ATOM 95 CG LEU A 10 -24.539 -16.628 -6.790 1.00 0.00 C ATOM 96 CD1 LEU A 10 -25.891 -17.127 -7.275 1.00 0.00 C ATOM 97 CD2 LEU A 10 -24.045 -17.470 -5.623 1.00 0.00 C ATOM 0 H LEU A 10 -22.499 -15.302 -5.915 1.00 0.00 H new ATOM 0 HA LEU A 10 -21.830 -15.620 -8.776 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -24.063 -16.714 -8.874 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -22.916 -17.544 -7.841 1.00 0.00 H new ATOM 0 HG LEU A 10 -24.656 -15.600 -6.446 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -26.603 -17.110 -6.450 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -26.250 -16.482 -8.077 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -25.791 -18.147 -7.646 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -24.782 -17.448 -4.821 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -23.898 -18.498 -5.953 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -23.100 -17.068 -5.258 1.00 0.00 H new ATOM 109 N ASP A 11 -22.780 -13.024 -8.129 1.00 0.00 N ATOM 110 CA ASP A 11 -23.424 -11.755 -8.447 1.00 0.00 C ATOM 111 C ASP A 11 -22.402 -10.736 -8.941 1.00 0.00 C ATOM 112 O ASP A 11 -21.226 -10.796 -8.582 1.00 0.00 O ATOM 113 CB ASP A 11 -24.156 -11.209 -7.220 1.00 0.00 C ATOM 114 CG ASP A 11 -25.651 -11.455 -7.280 1.00 0.00 C ATOM 115 OD1 ASP A 11 -26.074 -12.350 -8.042 1.00 0.00 O ATOM 116 OD2 ASP A 11 -26.397 -10.753 -6.567 1.00 0.00 O ATOM 0 H ASP A 11 -21.859 -12.934 -7.700 1.00 0.00 H new ATOM 0 HA ASP A 11 -24.147 -11.932 -9.243 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -23.750 -11.674 -6.322 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -23.970 -10.138 -7.136 1.00 0.00 H new ATOM 121 N LEU A 12 -22.859 -9.801 -9.767 1.00 0.00 N ATOM 122 CA LEU A 12 -21.985 -8.768 -10.312 1.00 0.00 C ATOM 123 C LEU A 12 -22.200 -7.439 -9.596 1.00 0.00 C ATOM 124 O LEU A 12 -23.298 -7.150 -9.116 1.00 0.00 O ATOM 125 CB LEU A 12 -22.235 -8.599 -11.811 1.00 0.00 C ATOM 126 CG LEU A 12 -21.780 -9.755 -12.702 1.00 0.00 C ATOM 127 CD1 LEU A 12 -22.773 -10.904 -12.635 1.00 0.00 C ATOM 128 CD2 LEU A 12 -21.603 -9.284 -14.139 1.00 0.00 C ATOM 0 H LEU A 12 -23.830 -9.737 -10.074 1.00 0.00 H new ATOM 0 HA LEU A 12 -20.953 -9.081 -10.155 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -23.303 -8.446 -11.966 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -21.732 -7.691 -12.143 1.00 0.00 H new ATOM 0 HG LEU A 12 -20.817 -10.112 -12.336 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -22.432 -11.717 -13.276 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -22.850 -11.259 -11.607 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -23.750 -10.560 -12.974 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -21.279 -10.120 -14.759 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -22.551 -8.900 -14.515 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -20.852 -8.495 -14.173 1.00 0.00 H new ATOM 140 N LEU A 13 -21.148 -6.632 -9.528 1.00 0.00 N ATOM 141 CA LEU A 13 -21.222 -5.331 -8.872 1.00 0.00 C ATOM 142 C LEU A 13 -20.440 -4.281 -9.655 1.00 0.00 C ATOM 143 O LEU A 13 -19.389 -4.573 -10.226 1.00 0.00 O ATOM 144 CB LEU A 13 -20.682 -5.426 -7.444 1.00 0.00 C ATOM 145 CG LEU A 13 -21.290 -4.456 -6.430 1.00 0.00 C ATOM 146 CD1 LEU A 13 -21.945 -5.217 -5.289 1.00 0.00 C ATOM 147 CD2 LEU A 13 -20.227 -3.505 -5.899 1.00 0.00 C ATOM 0 H LEU A 13 -20.233 -6.855 -9.919 1.00 0.00 H new ATOM 0 HA LEU A 13 -22.268 -5.028 -8.838 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -20.840 -6.443 -7.084 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -19.605 -5.262 -7.473 1.00 0.00 H new ATOM 0 HG LEU A 13 -22.057 -3.868 -6.934 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -22.372 -4.510 -4.578 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -22.735 -5.856 -5.684 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -21.199 -5.832 -4.786 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -20.677 -2.822 -5.179 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -19.437 -4.077 -5.412 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -19.804 -2.934 -6.726 1.00 0.00 H new ATOM 159 N ARG A 14 -20.958 -3.057 -9.675 1.00 0.00 N ATOM 160 CA ARG A 14 -20.308 -1.964 -10.387 1.00 0.00 C ATOM 161 C ARG A 14 -19.395 -1.174 -9.453 1.00 0.00 C ATOM 162 O ARG A 14 -19.850 -0.293 -8.723 1.00 0.00 O ATOM 163 CB ARG A 14 -21.355 -1.033 -11.001 1.00 0.00 C ATOM 164 CG ARG A 14 -21.956 -1.561 -12.293 1.00 0.00 C ATOM 165 CD ARG A 14 -21.595 -0.678 -13.478 1.00 0.00 C ATOM 166 NE ARG A 14 -20.256 -0.963 -13.985 1.00 0.00 N ATOM 167 CZ ARG A 14 -19.807 -0.532 -15.158 1.00 0.00 C ATOM 168 NH1 ARG A 14 -20.587 0.200 -15.942 1.00 0.00 N ATOM 169 NH2 ARG A 14 -18.575 -0.833 -15.550 1.00 0.00 N ATOM 0 H ARG A 14 -21.826 -2.798 -9.206 1.00 0.00 H new ATOM 0 HA ARG A 14 -19.701 -2.393 -11.184 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -22.154 -0.872 -10.278 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -20.898 -0.062 -11.193 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -21.601 -2.576 -12.473 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -23.040 -1.615 -12.195 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -22.323 -0.826 -14.275 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -21.655 0.369 -13.181 1.00 0.00 H new ATOM 0 HE ARG A 14 -19.631 -1.524 -13.406 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -21.534 0.433 -15.644 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -20.240 0.530 -16.843 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -17.972 -1.396 -14.950 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -18.231 -0.501 -16.451 1.00 0.00 H new ATOM 183 N SER A 15 -18.106 -1.496 -9.482 1.00 0.00 N ATOM 184 CA SER A 15 -17.130 -0.820 -8.635 1.00 0.00 C ATOM 185 C SER A 15 -15.801 -0.651 -9.366 1.00 0.00 C ATOM 186 O SER A 15 -15.459 -1.441 -10.245 1.00 0.00 O ATOM 187 CB SER A 15 -16.916 -1.606 -7.340 1.00 0.00 C ATOM 188 OG SER A 15 -16.401 -2.899 -7.607 1.00 0.00 O ATOM 0 H SER A 15 -17.713 -2.221 -10.083 1.00 0.00 H new ATOM 0 HA SER A 15 -17.520 0.169 -8.392 1.00 0.00 H new ATOM 0 HB2 SER A 15 -16.228 -1.064 -6.691 1.00 0.00 H new ATOM 0 HB3 SER A 15 -17.860 -1.691 -6.802 1.00 0.00 H new ATOM 0 HG SER A 15 -16.272 -3.380 -6.763 1.00 0.00 H new ATOM 194 N ASN A 16 -15.057 0.386 -8.996 1.00 0.00 N ATOM 195 CA ASN A 16 -13.766 0.661 -9.616 1.00 0.00 C ATOM 196 C ASN A 16 -12.626 0.409 -8.633 1.00 0.00 C ATOM 197 O ASN A 16 -12.552 1.036 -7.576 1.00 0.00 O ATOM 198 CB ASN A 16 -13.714 2.106 -10.116 1.00 0.00 C ATOM 199 CG ASN A 16 -12.299 2.564 -10.413 1.00 0.00 C ATOM 200 OD1 ASN A 16 -11.818 3.541 -9.839 1.00 0.00 O ATOM 201 ND2 ASN A 16 -11.625 1.858 -11.314 1.00 0.00 N ATOM 0 H ASN A 16 -15.326 1.050 -8.270 1.00 0.00 H new ATOM 0 HA ASN A 16 -13.647 -0.014 -10.464 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -14.320 2.198 -11.018 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -14.156 2.763 -9.367 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -10.669 2.119 -11.555 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -12.064 1.055 -11.765 1.00 0.00 H new ATOM 208 N THR A 17 -11.737 -0.513 -8.990 1.00 0.00 N ATOM 209 CA THR A 17 -10.602 -0.849 -8.141 1.00 0.00 C ATOM 210 C THR A 17 -9.521 0.223 -8.219 1.00 0.00 C ATOM 211 O THR A 17 -9.172 0.841 -7.215 1.00 0.00 O ATOM 212 CB THR A 17 -9.990 -2.208 -8.531 1.00 0.00 C ATOM 213 OG1 THR A 17 -10.775 -2.820 -9.561 1.00 0.00 O ATOM 214 CG2 THR A 17 -9.915 -3.134 -7.326 1.00 0.00 C ATOM 0 H THR A 17 -11.782 -1.040 -9.862 1.00 0.00 H new ATOM 0 HA THR A 17 -10.979 -0.909 -7.120 1.00 0.00 H new ATOM 0 HB THR A 17 -8.979 -2.034 -8.899 1.00 0.00 H new ATOM 0 HG1 THR A 17 -10.379 -3.683 -9.805 1.00 0.00 H new ATOM 0 HG21 THR A 17 -9.480 -4.087 -7.626 1.00 0.00 H new ATOM 0 HG22 THR A 17 -9.294 -2.678 -6.555 1.00 0.00 H new ATOM 0 HG23 THR A 17 -10.918 -3.301 -6.933 1.00 0.00 H new ATOM 222 N GLY A 18 -8.993 0.438 -9.421 1.00 0.00 N ATOM 223 CA GLY A 18 -7.957 1.437 -9.608 1.00 0.00 C ATOM 224 C GLY A 18 -6.885 0.985 -10.579 1.00 0.00 C ATOM 225 O GLY A 18 -7.167 0.718 -11.748 1.00 0.00 O ATOM 0 H GLY A 18 -9.264 -0.062 -10.268 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.408 2.360 -9.973 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.499 1.665 -8.646 1.00 0.00 H new ATOM 229 N LEU A 19 -5.650 0.900 -10.096 1.00 0.00 N ATOM 230 CA LEU A 19 -4.530 0.479 -10.931 1.00 0.00 C ATOM 231 C LEU A 19 -3.870 -0.774 -10.364 1.00 0.00 C ATOM 232 O LEU A 19 -3.958 -1.048 -9.166 1.00 0.00 O ATOM 233 CB LEU A 19 -3.500 1.605 -11.043 1.00 0.00 C ATOM 234 CG LEU A 19 -3.588 2.471 -12.300 1.00 0.00 C ATOM 235 CD1 LEU A 19 -3.503 3.946 -11.939 1.00 0.00 C ATOM 236 CD2 LEU A 19 -2.488 2.097 -13.283 1.00 0.00 C ATOM 0 H LEU A 19 -5.399 1.117 -9.131 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.916 0.247 -11.924 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.602 2.252 -10.172 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.504 1.165 -10.998 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.551 2.289 -12.776 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.567 4.547 -12.846 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.326 4.206 -11.273 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.555 4.144 -11.439 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.566 2.723 -14.172 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.515 2.250 -12.816 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.594 1.050 -13.567 1.00 0.00 H new ATOM 248 N LEU A 20 -3.208 -1.531 -11.232 1.00 0.00 N ATOM 249 CA LEU A 20 -2.530 -2.755 -10.818 1.00 0.00 C ATOM 250 C LEU A 20 -1.031 -2.520 -10.657 1.00 0.00 C ATOM 251 O LEU A 20 -0.453 -1.660 -11.322 1.00 0.00 O ATOM 252 CB LEU A 20 -2.777 -3.868 -11.838 1.00 0.00 C ATOM 253 CG LEU A 20 -2.440 -5.287 -11.378 1.00 0.00 C ATOM 254 CD1 LEU A 20 -3.198 -5.630 -10.105 1.00 0.00 C ATOM 255 CD2 LEU A 20 -2.754 -6.292 -12.476 1.00 0.00 C ATOM 0 H LEU A 20 -3.126 -1.319 -12.226 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.937 -3.058 -9.853 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.827 -3.841 -12.128 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.194 -3.649 -12.733 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.372 -5.335 -11.164 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.945 -6.643 -9.793 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.923 -4.929 -9.317 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.270 -5.564 -10.291 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.508 -7.296 -12.131 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.815 -6.242 -12.722 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.165 -6.058 -13.363 1.00 0.00 H new ATOM 267 N TYR A 21 -0.408 -3.291 -9.773 1.00 0.00 N ATOM 268 CA TYR A 21 1.023 -3.167 -9.525 1.00 0.00 C ATOM 269 C TYR A 21 1.682 -4.540 -9.437 1.00 0.00 C ATOM 270 O TYR A 21 1.051 -5.519 -9.037 1.00 0.00 O ATOM 271 CB TYR A 21 1.272 -2.385 -8.234 1.00 0.00 C ATOM 272 CG TYR A 21 1.409 -0.894 -8.445 1.00 0.00 C ATOM 273 CD1 TYR A 21 0.289 -0.074 -8.494 1.00 0.00 C ATOM 274 CD2 TYR A 21 2.659 -0.306 -8.597 1.00 0.00 C ATOM 275 CE1 TYR A 21 0.409 1.289 -8.688 1.00 0.00 C ATOM 276 CE2 TYR A 21 2.789 1.055 -8.790 1.00 0.00 C ATOM 277 CZ TYR A 21 1.661 1.849 -8.835 1.00 0.00 C ATOM 278 OH TYR A 21 1.786 3.205 -9.028 1.00 0.00 O ATOM 0 H TYR A 21 -0.872 -4.009 -9.216 1.00 0.00 H new ATOM 0 HA TYR A 21 1.465 -2.625 -10.361 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.451 -2.571 -7.542 1.00 0.00 H new ATOM 0 HB3 TYR A 21 2.179 -2.761 -7.761 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.693 -0.509 -8.378 1.00 0.00 H new ATOM 0 HD2 TYR A 21 3.544 -0.924 -8.564 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -0.472 1.912 -8.724 1.00 0.00 H new ATOM 0 HE2 TYR A 21 3.768 1.496 -8.905 1.00 0.00 H new ATOM 0 HH TYR A 21 2.734 3.437 -9.112 1.00 0.00 H new ATOM 288 N ARG A 22 2.955 -4.603 -9.813 1.00 0.00 N ATOM 289 CA ARG A 22 3.701 -5.856 -9.778 1.00 0.00 C ATOM 290 C ARG A 22 5.180 -5.600 -9.503 1.00 0.00 C ATOM 291 O ARG A 22 5.687 -4.506 -9.753 1.00 0.00 O ATOM 292 CB ARG A 22 3.539 -6.608 -11.100 1.00 0.00 C ATOM 293 CG ARG A 22 2.289 -7.471 -11.160 1.00 0.00 C ATOM 294 CD ARG A 22 2.041 -7.994 -12.567 1.00 0.00 C ATOM 295 NE ARG A 22 3.170 -8.771 -13.069 1.00 0.00 N ATOM 296 CZ ARG A 22 3.125 -9.501 -14.177 1.00 0.00 C ATOM 297 NH1 ARG A 22 2.013 -9.553 -14.897 1.00 0.00 N ATOM 298 NH2 ARG A 22 4.195 -10.181 -14.569 1.00 0.00 N ATOM 0 H ARG A 22 3.492 -3.802 -10.145 1.00 0.00 H new ATOM 0 HA ARG A 22 3.299 -6.467 -8.970 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.512 -5.887 -11.917 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.414 -7.239 -11.259 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.391 -8.310 -10.471 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.428 -6.890 -10.829 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.144 -8.614 -12.570 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.851 -7.156 -13.237 1.00 0.00 H new ATOM 0 HE ARG A 22 4.042 -8.752 -12.539 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.188 -9.031 -14.600 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.982 -10.115 -15.748 1.00 0.00 H new ATOM 0 HH21 ARG A 22 5.053 -10.143 -14.019 1.00 0.00 H new ATOM 0 HH22 ARG A 22 4.159 -10.742 -15.420 1.00 0.00 H new ATOM 312 N ILE A 23 5.865 -6.616 -8.988 1.00 0.00 N ATOM 313 CA ILE A 23 7.285 -6.501 -8.681 1.00 0.00 C ATOM 314 C ILE A 23 8.140 -6.847 -9.895 1.00 0.00 C ATOM 315 O ILE A 23 7.704 -7.572 -10.789 1.00 0.00 O ATOM 316 CB ILE A 23 7.683 -7.417 -7.509 1.00 0.00 C ATOM 317 CG1 ILE A 23 7.288 -8.864 -7.807 1.00 0.00 C ATOM 318 CG2 ILE A 23 7.032 -6.940 -6.219 1.00 0.00 C ATOM 319 CD1 ILE A 23 8.117 -9.884 -7.058 1.00 0.00 C ATOM 0 H ILE A 23 5.459 -7.527 -8.775 1.00 0.00 H new ATOM 0 HA ILE A 23 7.464 -5.464 -8.398 1.00 0.00 H new ATOM 0 HB ILE A 23 8.765 -7.374 -7.385 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.237 -9.005 -7.553 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.384 -9.045 -8.878 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.323 -7.598 -5.400 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.358 -5.923 -6.001 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.948 -6.957 -6.331 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.781 -10.888 -7.318 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.166 -9.771 -7.330 1.00 0.00 H new ATOM 0 HD13 ILE A 23 8.002 -9.730 -5.985 1.00 0.00 H new ATOM 331 N LYS A 24 9.361 -6.324 -9.920 1.00 0.00 N ATOM 332 CA LYS A 24 10.281 -6.580 -11.022 1.00 0.00 C ATOM 333 C LYS A 24 11.284 -7.668 -10.653 1.00 0.00 C ATOM 334 O LYS A 24 12.025 -7.537 -9.678 1.00 0.00 O ATOM 335 CB LYS A 24 11.022 -5.296 -11.403 1.00 0.00 C ATOM 336 CG LYS A 24 11.148 -5.089 -12.902 1.00 0.00 C ATOM 337 CD LYS A 24 11.094 -3.615 -13.268 1.00 0.00 C ATOM 338 CE LYS A 24 10.947 -3.418 -14.769 1.00 0.00 C ATOM 339 NZ LYS A 24 11.738 -2.254 -15.256 1.00 0.00 N ATOM 0 H LYS A 24 9.737 -5.720 -9.189 1.00 0.00 H new ATOM 0 HA LYS A 24 9.698 -6.924 -11.877 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.500 -4.443 -10.969 1.00 0.00 H new ATOM 0 HB3 LYS A 24 12.019 -5.317 -10.963 1.00 0.00 H new ATOM 0 HG2 LYS A 24 12.087 -5.517 -13.252 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.345 -5.621 -13.412 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.257 -3.142 -12.754 1.00 0.00 H new ATOM 0 HD3 LYS A 24 12.001 -3.120 -12.922 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.272 -4.320 -15.287 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.895 -3.271 -15.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.611 -2.154 -16.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.411 -1.389 -14.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.745 -2.406 -15.045 1.00 0.00 H new ATOM 353 N ASP A 25 11.304 -8.739 -11.438 1.00 0.00 N ATOM 354 CA ASP A 25 12.218 -9.849 -11.195 1.00 0.00 C ATOM 355 C ASP A 25 11.996 -10.442 -9.807 1.00 0.00 C ATOM 356 O ASP A 25 11.144 -9.976 -9.051 1.00 0.00 O ATOM 357 CB ASP A 25 13.668 -9.383 -11.337 1.00 0.00 C ATOM 358 CG ASP A 25 13.877 -8.504 -12.555 1.00 0.00 C ATOM 359 OD1 ASP A 25 13.678 -7.277 -12.442 1.00 0.00 O ATOM 360 OD2 ASP A 25 14.239 -9.044 -13.622 1.00 0.00 O ATOM 0 H ASP A 25 10.697 -8.862 -12.249 1.00 0.00 H new ATOM 0 HA ASP A 25 12.018 -10.622 -11.937 1.00 0.00 H new ATOM 0 HB2 ASP A 25 13.959 -8.834 -10.442 1.00 0.00 H new ATOM 0 HB3 ASP A 25 14.321 -10.253 -11.404 1.00 0.00 H new ATOM 365 N SER A 26 12.767 -11.474 -9.480 1.00 0.00 N ATOM 366 CA SER A 26 12.650 -12.136 -8.186 1.00 0.00 C ATOM 367 C SER A 26 14.006 -12.213 -7.491 1.00 0.00 C ATOM 368 O SER A 26 14.155 -11.782 -6.348 1.00 0.00 O ATOM 369 CB SER A 26 12.072 -13.541 -8.357 1.00 0.00 C ATOM 370 OG SER A 26 12.661 -14.204 -9.463 1.00 0.00 O ATOM 0 H SER A 26 13.479 -11.870 -10.093 1.00 0.00 H new ATOM 0 HA SER A 26 11.975 -11.547 -7.565 1.00 0.00 H new ATOM 0 HB2 SER A 26 12.242 -14.120 -7.449 1.00 0.00 H new ATOM 0 HB3 SER A 26 10.993 -13.479 -8.499 1.00 0.00 H new ATOM 0 HG SER A 26 12.276 -15.101 -9.550 1.00 0.00 H new ATOM 376 N GLN A 27 14.992 -12.765 -8.191 1.00 0.00 N ATOM 377 CA GLN A 27 16.336 -12.900 -7.642 1.00 0.00 C ATOM 378 C GLN A 27 17.129 -11.610 -7.822 1.00 0.00 C ATOM 379 O GLN A 27 18.133 -11.581 -8.533 1.00 0.00 O ATOM 380 CB GLN A 27 17.070 -14.062 -8.314 1.00 0.00 C ATOM 381 CG GLN A 27 18.162 -14.673 -7.450 1.00 0.00 C ATOM 382 CD GLN A 27 17.632 -15.212 -6.136 1.00 0.00 C ATOM 383 OE1 GLN A 27 16.504 -15.699 -6.061 1.00 0.00 O ATOM 384 NE2 GLN A 27 18.447 -15.129 -5.090 1.00 0.00 N ATOM 0 H GLN A 27 14.885 -13.126 -9.139 1.00 0.00 H new ATOM 0 HA GLN A 27 16.247 -13.105 -6.575 1.00 0.00 H new ATOM 0 HB2 GLN A 27 16.348 -14.836 -8.573 1.00 0.00 H new ATOM 0 HB3 GLN A 27 17.510 -13.712 -9.248 1.00 0.00 H new ATOM 0 HG2 GLN A 27 18.647 -15.479 -8.000 1.00 0.00 H new ATOM 0 HG3 GLN A 27 18.925 -13.921 -7.249 1.00 0.00 H new ATOM 0 HE21 GLN A 27 19.374 -14.718 -5.197 1.00 0.00 H new ATOM 0 HE22 GLN A 27 18.146 -15.477 -4.180 1.00 0.00 H new ATOM 393 N ASN A 28 16.671 -10.544 -7.173 1.00 0.00 N ATOM 394 CA ASN A 28 17.338 -9.250 -7.262 1.00 0.00 C ATOM 395 C ASN A 28 17.006 -8.382 -6.052 1.00 0.00 C ATOM 396 O ASN A 28 16.416 -8.854 -5.081 1.00 0.00 O ATOM 397 CB ASN A 28 16.929 -8.530 -8.548 1.00 0.00 C ATOM 398 CG ASN A 28 18.124 -8.010 -9.325 1.00 0.00 C ATOM 399 OD1 ASN A 28 19.155 -8.675 -9.417 1.00 0.00 O ATOM 400 ND2 ASN A 28 17.989 -6.815 -9.888 1.00 0.00 N ATOM 0 H ASN A 28 15.841 -10.551 -6.580 1.00 0.00 H new ATOM 0 HA ASN A 28 18.414 -9.424 -7.277 1.00 0.00 H new ATOM 0 HB2 ASN A 28 16.359 -9.213 -9.178 1.00 0.00 H new ATOM 0 HB3 ASN A 28 16.269 -7.698 -8.301 1.00 0.00 H new ATOM 0 HD21 ASN A 28 18.759 -6.413 -10.423 1.00 0.00 H new ATOM 0 HD22 ASN A 28 17.115 -6.299 -9.786 1.00 0.00 H new ATOM 407 N ALA A 29 17.388 -7.111 -6.120 1.00 0.00 N ATOM 408 CA ALA A 29 17.129 -6.177 -5.031 1.00 0.00 C ATOM 409 C ALA A 29 17.855 -6.601 -3.759 1.00 0.00 C ATOM 410 O ALA A 29 18.693 -7.500 -3.781 1.00 0.00 O ATOM 411 CB ALA A 29 15.633 -6.066 -4.776 1.00 0.00 C ATOM 0 H ALA A 29 17.878 -6.705 -6.917 1.00 0.00 H new ATOM 0 HA ALA A 29 17.510 -5.199 -5.326 1.00 0.00 H new ATOM 0 HB1 ALA A 29 15.454 -5.365 -3.960 1.00 0.00 H new ATOM 0 HB2 ALA A 29 15.136 -5.708 -5.678 1.00 0.00 H new ATOM 0 HB3 ALA A 29 15.236 -7.045 -4.507 1.00 0.00 H new ATOM 417 N GLY A 30 17.526 -5.945 -2.650 1.00 0.00 N ATOM 418 CA GLY A 30 18.157 -6.268 -1.383 1.00 0.00 C ATOM 419 C GLY A 30 19.096 -5.177 -0.908 1.00 0.00 C ATOM 420 O GLY A 30 19.969 -5.418 -0.074 1.00 0.00 O ATOM 0 H GLY A 30 16.835 -5.196 -2.606 1.00 0.00 H new ATOM 0 HA2 GLY A 30 17.387 -6.434 -0.629 1.00 0.00 H new ATOM 0 HA3 GLY A 30 18.711 -7.201 -1.484 1.00 0.00 H new ATOM 424 N LYS A 31 18.918 -3.973 -1.441 1.00 0.00 N ATOM 425 CA LYS A 31 19.756 -2.840 -1.067 1.00 0.00 C ATOM 426 C LYS A 31 18.929 -1.563 -0.960 1.00 0.00 C ATOM 427 O LYS A 31 19.443 -0.461 -1.148 1.00 0.00 O ATOM 428 CB LYS A 31 20.877 -2.649 -2.092 1.00 0.00 C ATOM 429 CG LYS A 31 21.696 -3.904 -2.339 1.00 0.00 C ATOM 430 CD LYS A 31 21.211 -4.652 -3.570 1.00 0.00 C ATOM 431 CE LYS A 31 22.336 -5.442 -4.220 1.00 0.00 C ATOM 432 NZ LYS A 31 21.891 -6.802 -4.634 1.00 0.00 N ATOM 0 H LYS A 31 18.201 -3.757 -2.133 1.00 0.00 H new ATOM 0 HA LYS A 31 20.194 -3.051 -0.092 1.00 0.00 H new ATOM 0 HB2 LYS A 31 20.443 -2.317 -3.035 1.00 0.00 H new ATOM 0 HB3 LYS A 31 21.540 -1.854 -1.749 1.00 0.00 H new ATOM 0 HG2 LYS A 31 22.745 -3.636 -2.464 1.00 0.00 H new ATOM 0 HG3 LYS A 31 21.635 -4.557 -1.468 1.00 0.00 H new ATOM 0 HD2 LYS A 31 20.403 -5.329 -3.291 1.00 0.00 H new ATOM 0 HD3 LYS A 31 20.799 -3.944 -4.289 1.00 0.00 H new ATOM 0 HE2 LYS A 31 22.705 -4.900 -5.091 1.00 0.00 H new ATOM 0 HE3 LYS A 31 23.169 -5.529 -3.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 22.686 -7.309 -5.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 21.563 -7.329 -3.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 21.113 -6.719 -5.319 1.00 0.00 H new ATOM 446 N MET A 32 17.644 -1.720 -0.655 1.00 0.00 N ATOM 447 CA MET A 32 16.747 -0.578 -0.520 1.00 0.00 C ATOM 448 C MET A 32 17.274 0.408 0.517 1.00 0.00 C ATOM 449 O MET A 32 18.303 0.169 1.150 1.00 0.00 O ATOM 450 CB MET A 32 15.345 -1.048 -0.128 1.00 0.00 C ATOM 451 CG MET A 32 14.727 -2.015 -1.125 1.00 0.00 C ATOM 452 SD MET A 32 13.277 -2.860 -0.466 1.00 0.00 S ATOM 453 CE MET A 32 11.972 -1.751 -0.990 1.00 0.00 C ATOM 0 H MET A 32 17.202 -2.625 -0.497 1.00 0.00 H new ATOM 0 HA MET A 32 16.697 -0.071 -1.484 1.00 0.00 H new ATOM 0 HB2 MET A 32 15.392 -1.528 0.850 1.00 0.00 H new ATOM 0 HB3 MET A 32 14.695 -0.179 -0.026 1.00 0.00 H new ATOM 0 HG2 MET A 32 14.447 -1.471 -2.027 1.00 0.00 H new ATOM 0 HG3 MET A 32 15.472 -2.755 -1.417 1.00 0.00 H new ATOM 0 HE1 MET A 32 11.008 -2.247 -0.882 1.00 0.00 H new ATOM 0 HE2 MET A 32 11.989 -0.852 -0.374 1.00 0.00 H new ATOM 0 HE3 MET A 32 12.124 -1.478 -2.034 1.00 0.00 H new ATOM 463 N LYS A 33 16.563 1.518 0.687 1.00 0.00 N ATOM 464 CA LYS A 33 16.958 2.541 1.648 1.00 0.00 C ATOM 465 C LYS A 33 15.863 3.591 1.805 1.00 0.00 C ATOM 466 O LYS A 33 14.888 3.602 1.055 1.00 0.00 O ATOM 467 CB LYS A 33 18.261 3.209 1.206 1.00 0.00 C ATOM 468 CG LYS A 33 19.288 3.335 2.318 1.00 0.00 C ATOM 469 CD LYS A 33 20.688 3.015 1.823 1.00 0.00 C ATOM 470 CE LYS A 33 21.702 3.048 2.957 1.00 0.00 C ATOM 471 NZ LYS A 33 23.097 3.164 2.450 1.00 0.00 N ATOM 0 H LYS A 33 15.710 1.732 0.171 1.00 0.00 H new ATOM 0 HA LYS A 33 17.114 2.058 2.612 1.00 0.00 H new ATOM 0 HB2 LYS A 33 18.694 2.635 0.387 1.00 0.00 H new ATOM 0 HB3 LYS A 33 18.036 4.202 0.816 1.00 0.00 H new ATOM 0 HG2 LYS A 33 19.266 4.347 2.721 1.00 0.00 H new ATOM 0 HG3 LYS A 33 19.027 2.661 3.134 1.00 0.00 H new ATOM 0 HD2 LYS A 33 20.694 2.030 1.357 1.00 0.00 H new ATOM 0 HD3 LYS A 33 20.976 3.733 1.055 1.00 0.00 H new ATOM 0 HE2 LYS A 33 21.484 3.889 3.615 1.00 0.00 H new ATOM 0 HE3 LYS A 33 21.607 2.142 3.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 23.758 3.183 3.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 23.314 2.349 1.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 23.195 4.041 1.900 1.00 0.00 H new ATOM 485 N GLY A 34 16.032 4.474 2.784 1.00 0.00 N ATOM 486 CA GLY A 34 15.052 5.518 3.021 1.00 0.00 C ATOM 487 C GLY A 34 13.676 4.961 3.330 1.00 0.00 C ATOM 488 O GLY A 34 12.916 4.624 2.422 1.00 0.00 O ATOM 0 H GLY A 34 16.831 4.485 3.418 1.00 0.00 H new ATOM 0 HA2 GLY A 34 15.383 6.142 3.851 1.00 0.00 H new ATOM 0 HA3 GLY A 34 14.992 6.162 2.143 1.00 0.00 H new ATOM 492 N SER A 35 13.355 4.862 4.617 1.00 0.00 N ATOM 493 CA SER A 35 12.064 4.337 5.044 1.00 0.00 C ATOM 494 C SER A 35 11.861 2.913 4.535 1.00 0.00 C ATOM 495 O SER A 35 10.743 2.509 4.217 1.00 0.00 O ATOM 496 CB SER A 35 10.933 5.236 4.542 1.00 0.00 C ATOM 497 OG SER A 35 11.289 6.604 4.635 1.00 0.00 O ATOM 0 H SER A 35 13.972 5.139 5.381 1.00 0.00 H new ATOM 0 HA SER A 35 12.049 4.320 6.134 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.699 4.988 3.507 1.00 0.00 H new ATOM 0 HB3 SER A 35 10.031 5.051 5.126 1.00 0.00 H new ATOM 0 HG SER A 35 10.550 7.157 4.306 1.00 0.00 H new ATOM 503 N ASP A 36 12.951 2.157 4.462 1.00 0.00 N ATOM 504 CA ASP A 36 12.895 0.777 3.993 1.00 0.00 C ATOM 505 C ASP A 36 11.894 -0.034 4.810 1.00 0.00 C ATOM 506 O ASP A 36 11.334 -1.016 4.326 1.00 0.00 O ATOM 507 CB ASP A 36 14.279 0.132 4.072 1.00 0.00 C ATOM 508 CG ASP A 36 14.787 0.025 5.497 1.00 0.00 C ATOM 509 OD1 ASP A 36 15.036 1.079 6.119 1.00 0.00 O ATOM 510 OD2 ASP A 36 14.934 -1.113 5.990 1.00 0.00 O ATOM 0 H ASP A 36 13.884 2.476 4.722 1.00 0.00 H new ATOM 0 HA ASP A 36 12.566 0.785 2.954 1.00 0.00 H new ATOM 0 HB2 ASP A 36 14.239 -0.863 3.628 1.00 0.00 H new ATOM 0 HB3 ASP A 36 14.984 0.717 3.481 1.00 0.00 H new ATOM 515 N ASN A 37 11.676 0.384 6.053 1.00 0.00 N ATOM 516 CA ASN A 37 10.744 -0.305 6.938 1.00 0.00 C ATOM 517 C ASN A 37 9.319 -0.225 6.397 1.00 0.00 C ATOM 518 O ASN A 37 8.593 -1.219 6.386 1.00 0.00 O ATOM 519 CB ASN A 37 10.802 0.298 8.343 1.00 0.00 C ATOM 520 CG ASN A 37 11.106 -0.740 9.406 1.00 0.00 C ATOM 521 OD1 ASN A 37 10.764 -1.913 9.259 1.00 0.00 O ATOM 522 ND2 ASN A 37 11.752 -0.311 10.484 1.00 0.00 N ATOM 0 H ASN A 37 12.132 1.196 6.470 1.00 0.00 H new ATOM 0 HA ASN A 37 11.037 -1.354 6.987 1.00 0.00 H new ATOM 0 HB2 ASN A 37 11.565 1.076 8.370 1.00 0.00 H new ATOM 0 HB3 ASN A 37 9.850 0.777 8.569 1.00 0.00 H new ATOM 0 HD21 ASN A 37 11.984 -0.964 11.233 1.00 0.00 H new ATOM 0 HD22 ASN A 37 12.016 0.671 10.563 1.00 0.00 H new ATOM 529 N GLN A 38 8.928 0.964 5.949 1.00 0.00 N ATOM 530 CA GLN A 38 7.591 1.173 5.407 1.00 0.00 C ATOM 531 C GLN A 38 7.499 0.663 3.973 1.00 0.00 C ATOM 532 O GLN A 38 6.457 0.166 3.547 1.00 0.00 O ATOM 533 CB GLN A 38 7.223 2.657 5.458 1.00 0.00 C ATOM 534 CG GLN A 38 6.015 2.955 6.331 1.00 0.00 C ATOM 535 CD GLN A 38 6.307 2.786 7.809 1.00 0.00 C ATOM 536 OE1 GLN A 38 6.794 3.706 8.467 1.00 0.00 O ATOM 537 NE2 GLN A 38 6.010 1.605 8.340 1.00 0.00 N ATOM 0 H GLN A 38 9.518 1.796 5.951 1.00 0.00 H new ATOM 0 HA GLN A 38 6.886 0.610 6.019 1.00 0.00 H new ATOM 0 HB2 GLN A 38 8.078 3.222 5.830 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.025 3.009 4.445 1.00 0.00 H new ATOM 0 HG2 GLN A 38 5.680 3.975 6.145 1.00 0.00 H new ATOM 0 HG3 GLN A 38 5.196 2.294 6.049 1.00 0.00 H new ATOM 0 HE21 GLN A 38 5.608 0.871 7.758 1.00 0.00 H new ATOM 0 HE22 GLN A 38 6.184 1.433 9.330 1.00 0.00 H new ATOM 546 N GLU A 39 8.597 0.791 3.233 1.00 0.00 N ATOM 547 CA GLU A 39 8.638 0.344 1.846 1.00 0.00 C ATOM 548 C GLU A 39 8.557 -1.178 1.762 1.00 0.00 C ATOM 549 O GLU A 39 7.762 -1.728 1.000 1.00 0.00 O ATOM 550 CB GLU A 39 9.918 0.836 1.167 1.00 0.00 C ATOM 551 CG GLU A 39 9.792 2.224 0.562 1.00 0.00 C ATOM 552 CD GLU A 39 11.088 3.007 0.624 1.00 0.00 C ATOM 553 OE1 GLU A 39 12.165 2.375 0.618 1.00 0.00 O ATOM 554 OE2 GLU A 39 11.026 4.254 0.679 1.00 0.00 O ATOM 0 H GLU A 39 9.468 1.200 3.571 1.00 0.00 H new ATOM 0 HA GLU A 39 7.776 0.765 1.329 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.728 0.839 1.896 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.197 0.132 0.384 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.475 2.136 -0.477 1.00 0.00 H new ATOM 0 HG3 GLU A 39 9.013 2.776 1.088 1.00 0.00 H new ATOM 561 N LYS A 40 9.387 -1.853 2.550 1.00 0.00 N ATOM 562 CA LYS A 40 9.410 -3.311 2.568 1.00 0.00 C ATOM 563 C LYS A 40 8.017 -3.874 2.826 1.00 0.00 C ATOM 564 O LYS A 40 7.610 -4.860 2.210 1.00 0.00 O ATOM 565 CB LYS A 40 10.382 -3.813 3.638 1.00 0.00 C ATOM 566 CG LYS A 40 11.829 -3.849 3.177 1.00 0.00 C ATOM 567 CD LYS A 40 12.694 -4.669 4.120 1.00 0.00 C ATOM 568 CE LYS A 40 12.885 -6.088 3.607 1.00 0.00 C ATOM 569 NZ LYS A 40 13.023 -7.066 4.722 1.00 0.00 N ATOM 0 H LYS A 40 10.053 -1.413 3.185 1.00 0.00 H new ATOM 0 HA LYS A 40 9.746 -3.656 1.590 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.305 -3.172 4.516 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.083 -4.815 3.947 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.882 -4.271 2.173 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.218 -2.833 3.116 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.666 -4.188 4.235 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.233 -4.697 5.107 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.036 -6.366 2.983 1.00 0.00 H new ATOM 0 HE3 LYS A 40 13.772 -6.130 2.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.151 -8.021 4.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.848 -6.816 5.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.166 -7.045 5.311 1.00 0.00 H new ATOM 583 N LEU A 41 7.288 -3.242 3.740 1.00 0.00 N ATOM 584 CA LEU A 41 5.938 -3.680 4.079 1.00 0.00 C ATOM 585 C LEU A 41 5.049 -3.711 2.840 1.00 0.00 C ATOM 586 O LEU A 41 4.087 -4.477 2.772 1.00 0.00 O ATOM 587 CB LEU A 41 5.331 -2.754 5.134 1.00 0.00 C ATOM 588 CG LEU A 41 3.899 -3.075 5.563 1.00 0.00 C ATOM 589 CD1 LEU A 41 3.872 -4.304 6.459 1.00 0.00 C ATOM 590 CD2 LEU A 41 3.275 -1.882 6.274 1.00 0.00 C ATOM 0 H LEU A 41 7.609 -2.425 4.259 1.00 0.00 H new ATOM 0 HA LEU A 41 6.000 -4.690 4.484 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.968 -2.777 6.018 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.354 -1.734 4.750 1.00 0.00 H new ATOM 0 HG LEU A 41 3.312 -3.289 4.669 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.844 -4.517 6.754 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.278 -5.158 5.917 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.474 -4.119 7.349 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.256 -2.128 6.572 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.863 -1.637 7.159 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.259 -1.025 5.601 1.00 0.00 H new ATOM 602 N VAL A 42 5.377 -2.874 1.861 1.00 0.00 N ATOM 603 CA VAL A 42 4.610 -2.808 0.623 1.00 0.00 C ATOM 604 C VAL A 42 5.196 -3.734 -0.437 1.00 0.00 C ATOM 605 O VAL A 42 4.466 -4.445 -1.127 1.00 0.00 O ATOM 606 CB VAL A 42 4.565 -1.372 0.066 1.00 0.00 C ATOM 607 CG1 VAL A 42 3.739 -1.319 -1.209 1.00 0.00 C ATOM 608 CG2 VAL A 42 4.013 -0.414 1.110 1.00 0.00 C ATOM 0 H VAL A 42 6.169 -2.232 1.901 1.00 0.00 H new ATOM 0 HA VAL A 42 3.596 -3.129 0.862 1.00 0.00 H new ATOM 0 HB VAL A 42 5.582 -1.062 -0.177 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.719 -0.297 -1.587 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.183 -1.974 -1.958 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.721 -1.648 -0.997 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.988 0.596 0.700 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.003 -0.719 1.386 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.651 -0.431 1.993 1.00 0.00 H new ATOM 618 N TYR A 43 6.519 -3.720 -0.561 1.00 0.00 N ATOM 619 CA TYR A 43 7.204 -4.557 -1.538 1.00 0.00 C ATOM 620 C TYR A 43 6.886 -6.032 -1.311 1.00 0.00 C ATOM 621 O TYR A 43 6.879 -6.828 -2.249 1.00 0.00 O ATOM 622 CB TYR A 43 8.715 -4.333 -1.463 1.00 0.00 C ATOM 623 CG TYR A 43 9.495 -5.112 -2.498 1.00 0.00 C ATOM 624 CD1 TYR A 43 9.744 -4.578 -3.756 1.00 0.00 C ATOM 625 CD2 TYR A 43 9.983 -6.382 -2.218 1.00 0.00 C ATOM 626 CE1 TYR A 43 10.456 -5.286 -4.705 1.00 0.00 C ATOM 627 CE2 TYR A 43 10.696 -7.097 -3.160 1.00 0.00 C ATOM 628 CZ TYR A 43 10.930 -6.545 -4.402 1.00 0.00 C ATOM 629 OH TYR A 43 11.640 -7.255 -5.343 1.00 0.00 O ATOM 0 H TYR A 43 7.138 -3.138 0.003 1.00 0.00 H new ATOM 0 HA TYR A 43 6.850 -4.276 -2.530 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.923 -3.270 -1.588 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.066 -4.612 -0.470 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.375 -3.592 -3.996 1.00 0.00 H new ATOM 0 HD2 TYR A 43 9.802 -6.818 -1.247 1.00 0.00 H new ATOM 0 HE1 TYR A 43 10.640 -4.856 -5.678 1.00 0.00 H new ATOM 0 HE2 TYR A 43 11.068 -8.083 -2.925 1.00 0.00 H new ATOM 0 HH TYR A 43 11.902 -8.122 -4.969 1.00 0.00 H new ATOM 639 N GLN A 44 6.622 -6.387 -0.058 1.00 0.00 N ATOM 640 CA GLN A 44 6.302 -7.765 0.294 1.00 0.00 C ATOM 641 C GLN A 44 4.919 -8.151 -0.218 1.00 0.00 C ATOM 642 O GLN A 44 4.716 -9.262 -0.710 1.00 0.00 O ATOM 643 CB GLN A 44 6.369 -7.956 1.810 1.00 0.00 C ATOM 644 CG GLN A 44 7.785 -8.114 2.342 1.00 0.00 C ATOM 645 CD GLN A 44 8.317 -9.524 2.174 1.00 0.00 C ATOM 646 OE1 GLN A 44 7.937 -10.435 2.910 1.00 0.00 O ATOM 647 NE2 GLN A 44 9.201 -9.711 1.201 1.00 0.00 N ATOM 0 H GLN A 44 6.623 -5.740 0.730 1.00 0.00 H new ATOM 0 HA GLN A 44 7.039 -8.414 -0.180 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.900 -7.101 2.297 1.00 0.00 H new ATOM 0 HB3 GLN A 44 5.787 -8.836 2.083 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.444 -7.417 1.824 1.00 0.00 H new ATOM 0 HG3 GLN A 44 7.804 -7.846 3.398 1.00 0.00 H new ATOM 0 HE21 GLN A 44 9.488 -8.927 0.615 1.00 0.00 H new ATOM 0 HE22 GLN A 44 9.593 -10.639 1.040 1.00 0.00 H new ATOM 656 N ILE A 45 3.970 -7.228 -0.099 1.00 0.00 N ATOM 657 CA ILE A 45 2.606 -7.473 -0.551 1.00 0.00 C ATOM 658 C ILE A 45 2.541 -7.578 -2.071 1.00 0.00 C ATOM 659 O ILE A 45 1.892 -8.472 -2.614 1.00 0.00 O ATOM 660 CB ILE A 45 1.651 -6.359 -0.083 1.00 0.00 C ATOM 661 CG1 ILE A 45 1.722 -6.201 1.437 1.00 0.00 C ATOM 662 CG2 ILE A 45 0.226 -6.664 -0.523 1.00 0.00 C ATOM 663 CD1 ILE A 45 0.931 -5.022 1.960 1.00 0.00 C ATOM 0 H ILE A 45 4.121 -6.304 0.306 1.00 0.00 H new ATOM 0 HA ILE A 45 2.292 -8.419 -0.111 1.00 0.00 H new ATOM 0 HB ILE A 45 1.960 -5.420 -0.542 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.353 -7.113 1.907 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.765 -6.089 1.734 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.437 -5.868 -0.185 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.187 -6.731 -1.610 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.094 -7.611 -0.089 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.027 -4.972 3.045 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.315 -4.102 1.519 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.119 -5.142 1.694 1.00 0.00 H new ATOM 675 N ILE A 46 3.220 -6.660 -2.751 1.00 0.00 N ATOM 676 CA ILE A 46 3.241 -6.652 -4.209 1.00 0.00 C ATOM 677 C ILE A 46 3.963 -7.880 -4.755 1.00 0.00 C ATOM 678 O ILE A 46 3.568 -8.439 -5.777 1.00 0.00 O ATOM 679 CB ILE A 46 3.924 -5.384 -4.755 1.00 0.00 C ATOM 680 CG1 ILE A 46 3.258 -4.132 -4.180 1.00 0.00 C ATOM 681 CG2 ILE A 46 3.873 -5.367 -6.275 1.00 0.00 C ATOM 682 CD1 ILE A 46 3.978 -2.849 -4.532 1.00 0.00 C ATOM 0 H ILE A 46 3.762 -5.913 -2.317 1.00 0.00 H new ATOM 0 HA ILE A 46 2.203 -6.667 -4.540 1.00 0.00 H new ATOM 0 HB ILE A 46 4.969 -5.391 -4.447 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.233 -4.076 -4.545 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.206 -4.224 -3.095 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.360 -4.465 -6.645 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.389 -6.244 -6.666 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.834 -5.380 -6.604 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.450 -2.003 -4.091 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.996 -2.884 -4.143 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.007 -2.734 -5.615 1.00 0.00 H new ATOM 694 N GLU A 47 5.021 -8.293 -4.065 1.00 0.00 N ATOM 695 CA GLU A 47 5.797 -9.455 -4.481 1.00 0.00 C ATOM 696 C GLU A 47 4.961 -10.729 -4.390 1.00 0.00 C ATOM 697 O GLU A 47 5.028 -11.592 -5.265 1.00 0.00 O ATOM 698 CB GLU A 47 7.053 -9.594 -3.618 1.00 0.00 C ATOM 699 CG GLU A 47 7.853 -10.853 -3.905 1.00 0.00 C ATOM 700 CD GLU A 47 7.704 -11.899 -2.817 1.00 0.00 C ATOM 701 OE1 GLU A 47 7.726 -11.523 -1.626 1.00 0.00 O ATOM 702 OE2 GLU A 47 7.565 -13.093 -3.156 1.00 0.00 O ATOM 0 H GLU A 47 5.360 -7.841 -3.216 1.00 0.00 H new ATOM 0 HA GLU A 47 6.093 -9.308 -5.520 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.691 -8.724 -3.777 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.764 -9.589 -2.567 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.530 -11.275 -4.857 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.906 -10.593 -4.013 1.00 0.00 H new ATOM 709 N ASP A 48 4.174 -10.838 -3.325 1.00 0.00 N ATOM 710 CA ASP A 48 3.324 -12.004 -3.118 1.00 0.00 C ATOM 711 C ASP A 48 2.328 -12.161 -4.263 1.00 0.00 C ATOM 712 O ASP A 48 1.880 -13.267 -4.562 1.00 0.00 O ATOM 713 CB ASP A 48 2.578 -11.889 -1.788 1.00 0.00 C ATOM 714 CG ASP A 48 2.927 -13.009 -0.829 1.00 0.00 C ATOM 715 OD1 ASP A 48 3.145 -14.146 -1.298 1.00 0.00 O ATOM 716 OD2 ASP A 48 2.984 -12.749 0.391 1.00 0.00 O ATOM 0 H ASP A 48 4.107 -10.132 -2.592 1.00 0.00 H new ATOM 0 HA ASP A 48 3.962 -12.887 -3.092 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.814 -10.931 -1.324 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.504 -11.897 -1.975 1.00 0.00 H new ATOM 721 N ALA A 49 1.987 -11.046 -4.900 1.00 0.00 N ATOM 722 CA ALA A 49 1.045 -11.059 -6.012 1.00 0.00 C ATOM 723 C ALA A 49 1.621 -11.806 -7.211 1.00 0.00 C ATOM 724 O ALA A 49 0.892 -12.456 -7.959 1.00 0.00 O ATOM 725 CB ALA A 49 0.670 -9.637 -6.404 1.00 0.00 C ATOM 0 H ALA A 49 2.349 -10.122 -4.665 1.00 0.00 H new ATOM 0 HA ALA A 49 0.146 -11.583 -5.688 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.034 -9.663 -7.236 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.209 -9.135 -5.554 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.566 -9.094 -6.704 1.00 0.00 H new ATOM 731 N GLY A 50 2.935 -11.707 -7.387 1.00 0.00 N ATOM 732 CA GLY A 50 3.587 -12.378 -8.497 1.00 0.00 C ATOM 733 C GLY A 50 3.165 -11.818 -9.841 1.00 0.00 C ATOM 734 O GLY A 50 3.363 -10.636 -10.119 1.00 0.00 O ATOM 0 H GLY A 50 3.560 -11.175 -6.781 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.668 -12.284 -8.391 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.355 -13.442 -8.461 1.00 0.00 H new ATOM 738 N ASN A 51 2.582 -12.670 -10.679 1.00 0.00 N ATOM 739 CA ASN A 51 2.133 -12.254 -12.002 1.00 0.00 C ATOM 740 C ASN A 51 0.732 -11.652 -11.937 1.00 0.00 C ATOM 741 O ASN A 51 0.368 -10.809 -12.757 1.00 0.00 O ATOM 742 CB ASN A 51 2.145 -13.444 -12.965 1.00 0.00 C ATOM 743 CG ASN A 51 1.925 -13.024 -14.405 1.00 0.00 C ATOM 744 OD1 ASN A 51 0.827 -12.613 -14.783 1.00 0.00 O ATOM 745 ND2 ASN A 51 2.970 -13.126 -15.218 1.00 0.00 N ATOM 0 H ASN A 51 2.410 -13.652 -10.465 1.00 0.00 H new ATOM 0 HA ASN A 51 2.820 -11.491 -12.368 1.00 0.00 H new ATOM 0 HB2 ASN A 51 3.099 -13.965 -12.883 1.00 0.00 H new ATOM 0 HB3 ASN A 51 1.369 -14.152 -12.673 1.00 0.00 H new ATOM 0 HD21 ASN A 51 2.881 -12.859 -16.198 1.00 0.00 H new ATOM 0 HD22 ASN A 51 3.861 -13.472 -14.862 1.00 0.00 H new ATOM 752 N LYS A 52 -0.049 -12.091 -10.956 1.00 0.00 N ATOM 753 CA LYS A 52 -1.409 -11.595 -10.781 1.00 0.00 C ATOM 754 C LYS A 52 -1.407 -10.107 -10.446 1.00 0.00 C ATOM 755 O LYS A 52 -2.333 -9.379 -10.803 1.00 0.00 O ATOM 756 CB LYS A 52 -2.120 -12.377 -9.675 1.00 0.00 C ATOM 757 CG LYS A 52 -2.081 -13.883 -9.872 1.00 0.00 C ATOM 758 CD LYS A 52 -3.207 -14.573 -9.121 1.00 0.00 C ATOM 759 CE LYS A 52 -4.150 -15.295 -10.071 1.00 0.00 C ATOM 760 NZ LYS A 52 -3.438 -16.312 -10.894 1.00 0.00 N ATOM 0 H LYS A 52 0.237 -12.790 -10.270 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.944 -11.737 -11.720 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.662 -12.133 -8.717 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.159 -12.053 -9.623 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.156 -14.114 -10.935 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.122 -14.271 -9.529 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.789 -15.286 -8.410 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.765 -13.837 -8.543 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.941 -15.780 -9.499 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.631 -14.569 -10.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.089 -17.089 -11.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.099 -15.872 -11.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.628 -16.686 -10.359 1.00 0.00 H new ATOM 774 N GLY A 53 -0.359 -9.661 -9.759 1.00 0.00 N ATOM 775 CA GLY A 53 -0.256 -8.262 -9.389 1.00 0.00 C ATOM 776 C GLY A 53 -1.248 -7.873 -8.310 1.00 0.00 C ATOM 777 O GLY A 53 -2.230 -8.578 -8.077 1.00 0.00 O ATOM 0 H GLY A 53 0.420 -10.244 -9.452 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.756 -8.055 -9.040 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.422 -7.643 -10.271 1.00 0.00 H new ATOM 781 N ILE A 54 -0.990 -6.749 -7.649 1.00 0.00 N ATOM 782 CA ILE A 54 -1.867 -6.269 -6.589 1.00 0.00 C ATOM 783 C ILE A 54 -2.337 -4.846 -6.867 1.00 0.00 C ATOM 784 O ILE A 54 -1.547 -3.983 -7.250 1.00 0.00 O ATOM 785 CB ILE A 54 -1.166 -6.308 -5.218 1.00 0.00 C ATOM 786 CG1 ILE A 54 -2.165 -5.999 -4.101 1.00 0.00 C ATOM 787 CG2 ILE A 54 -0.008 -5.321 -5.187 1.00 0.00 C ATOM 788 CD1 ILE A 54 -2.079 -6.955 -2.932 1.00 0.00 C ATOM 0 H ILE A 54 -0.181 -6.154 -7.829 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.729 -6.936 -6.566 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.769 -7.310 -5.058 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.995 -4.984 -3.743 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.175 -6.028 -4.510 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.477 -5.360 -4.212 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.713 -5.581 -5.962 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.384 -4.313 -5.365 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.816 -6.676 -2.179 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.279 -7.970 -3.276 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.080 -6.910 -2.498 1.00 0.00 H new ATOM 800 N TRP A 55 -3.629 -4.606 -6.670 1.00 0.00 N ATOM 801 CA TRP A 55 -4.205 -3.286 -6.898 1.00 0.00 C ATOM 802 C TRP A 55 -3.784 -2.312 -5.804 1.00 0.00 C ATOM 803 O TRP A 55 -3.556 -2.709 -4.661 1.00 0.00 O ATOM 804 CB TRP A 55 -5.731 -3.376 -6.959 1.00 0.00 C ATOM 805 CG TRP A 55 -6.230 -4.280 -8.045 1.00 0.00 C ATOM 806 CD1 TRP A 55 -6.475 -5.620 -7.948 1.00 0.00 C ATOM 807 CD2 TRP A 55 -6.542 -3.908 -9.392 1.00 0.00 C ATOM 808 NE1 TRP A 55 -6.922 -6.104 -9.154 1.00 0.00 N ATOM 809 CE2 TRP A 55 -6.972 -5.074 -10.056 1.00 0.00 C ATOM 810 CE3 TRP A 55 -6.503 -2.705 -10.101 1.00 0.00 C ATOM 811 CZ2 TRP A 55 -7.358 -5.069 -11.394 1.00 0.00 C ATOM 812 CZ3 TRP A 55 -6.885 -2.702 -11.429 1.00 0.00 C ATOM 813 CH2 TRP A 55 -7.309 -3.877 -12.064 1.00 0.00 C ATOM 0 H TRP A 55 -4.297 -5.309 -6.353 1.00 0.00 H new ATOM 0 HA TRP A 55 -3.832 -2.914 -7.852 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -6.105 -3.732 -5.999 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -6.141 -2.377 -7.110 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -6.338 -6.212 -7.055 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -7.175 -7.073 -9.346 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -6.180 -1.794 -9.620 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -7.684 -5.974 -11.885 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -6.856 -1.778 -11.987 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -7.603 -3.841 -13.103 1.00 0.00 H new ATOM 824 N SER A 56 -3.682 -1.036 -6.160 1.00 0.00 N ATOM 825 CA SER A 56 -3.284 -0.005 -5.208 1.00 0.00 C ATOM 826 C SER A 56 -4.147 -0.065 -3.951 1.00 0.00 C ATOM 827 O SER A 56 -3.695 0.278 -2.858 1.00 0.00 O ATOM 828 CB SER A 56 -3.392 1.380 -5.849 1.00 0.00 C ATOM 829 OG SER A 56 -3.695 2.368 -4.879 1.00 0.00 O ATOM 0 H SER A 56 -3.869 -0.691 -7.101 1.00 0.00 H new ATOM 0 HA SER A 56 -2.247 -0.187 -4.925 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.454 1.629 -6.345 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.166 1.370 -6.616 1.00 0.00 H new ATOM 0 HG SER A 56 -3.757 3.244 -5.313 1.00 0.00 H new ATOM 835 N ARG A 57 -5.390 -0.504 -4.115 1.00 0.00 N ATOM 836 CA ARG A 57 -6.318 -0.608 -2.995 1.00 0.00 C ATOM 837 C ARG A 57 -5.964 -1.797 -2.105 1.00 0.00 C ATOM 838 O ARG A 57 -5.924 -1.678 -0.880 1.00 0.00 O ATOM 839 CB ARG A 57 -7.753 -0.749 -3.504 1.00 0.00 C ATOM 840 CG ARG A 57 -8.454 0.582 -3.724 1.00 0.00 C ATOM 841 CD ARG A 57 -9.952 0.468 -3.488 1.00 0.00 C ATOM 842 NE ARG A 57 -10.269 0.266 -2.077 1.00 0.00 N ATOM 843 CZ ARG A 57 -11.500 0.053 -1.623 1.00 0.00 C ATOM 844 NH1 ARG A 57 -12.523 0.013 -2.466 1.00 0.00 N ATOM 845 NH2 ARG A 57 -11.709 -0.122 -0.325 1.00 0.00 N ATOM 0 H ARG A 57 -5.778 -0.794 -5.013 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.238 0.304 -2.404 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.744 -1.305 -4.442 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.327 -1.339 -2.789 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.035 1.331 -3.052 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.270 0.928 -4.741 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.445 1.372 -3.845 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.349 -0.363 -4.071 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.504 0.290 -1.403 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -12.366 0.146 -3.465 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -13.467 -0.151 -2.115 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.925 -0.093 0.326 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.654 -0.285 0.022 1.00 0.00 H new ATOM 859 N ASP A 58 -5.708 -2.941 -2.729 1.00 0.00 N ATOM 860 CA ASP A 58 -5.357 -4.151 -1.995 1.00 0.00 C ATOM 861 C ASP A 58 -4.090 -3.939 -1.172 1.00 0.00 C ATOM 862 O ASP A 58 -4.096 -4.101 0.048 1.00 0.00 O ATOM 863 CB ASP A 58 -5.163 -5.321 -2.960 1.00 0.00 C ATOM 864 CG ASP A 58 -6.462 -6.040 -3.267 1.00 0.00 C ATOM 865 OD1 ASP A 58 -7.503 -5.360 -3.381 1.00 0.00 O ATOM 866 OD2 ASP A 58 -6.438 -7.283 -3.392 1.00 0.00 O ATOM 0 H ASP A 58 -5.737 -3.056 -3.742 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.176 -4.384 -1.315 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.726 -4.954 -3.889 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.452 -6.028 -2.531 1.00 0.00 H new ATOM 871 N VAL A 59 -3.005 -3.576 -1.849 1.00 0.00 N ATOM 872 CA VAL A 59 -1.731 -3.342 -1.181 1.00 0.00 C ATOM 873 C VAL A 59 -1.871 -2.296 -0.080 1.00 0.00 C ATOM 874 O VAL A 59 -1.094 -2.277 0.875 1.00 0.00 O ATOM 875 CB VAL A 59 -0.651 -2.880 -2.177 1.00 0.00 C ATOM 876 CG1 VAL A 59 -1.113 -1.641 -2.929 1.00 0.00 C ATOM 877 CG2 VAL A 59 0.662 -2.618 -1.456 1.00 0.00 C ATOM 0 H VAL A 59 -2.983 -3.438 -2.859 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.427 -4.291 -0.740 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.487 -3.676 -2.903 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.337 -1.329 -3.628 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.026 -1.868 -3.479 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.307 -0.836 -2.220 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.413 -2.292 -2.175 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.516 -1.840 -0.706 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.999 -3.533 -0.969 1.00 0.00 H new ATOM 887 N ARG A 60 -2.867 -1.427 -0.221 1.00 0.00 N ATOM 888 CA ARG A 60 -3.109 -0.377 0.762 1.00 0.00 C ATOM 889 C ARG A 60 -3.812 -0.938 1.994 1.00 0.00 C ATOM 890 O ARG A 60 -3.478 -0.585 3.126 1.00 0.00 O ATOM 891 CB ARG A 60 -3.950 0.742 0.146 1.00 0.00 C ATOM 892 CG ARG A 60 -4.197 1.908 1.090 1.00 0.00 C ATOM 893 CD ARG A 60 -5.601 2.470 0.925 1.00 0.00 C ATOM 894 NE ARG A 60 -6.526 1.933 1.918 1.00 0.00 N ATOM 895 CZ ARG A 60 -7.802 2.292 2.004 1.00 0.00 C ATOM 896 NH1 ARG A 60 -8.301 3.184 1.159 1.00 0.00 N ATOM 897 NH2 ARG A 60 -8.582 1.759 2.936 1.00 0.00 N ATOM 0 H ARG A 60 -3.519 -1.429 -1.006 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.145 0.029 1.069 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.450 1.110 -0.750 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -4.909 0.332 -0.170 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.053 1.581 2.120 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.465 2.693 0.900 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.569 3.556 1.010 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -5.969 2.239 -0.075 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.173 1.244 2.582 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -7.705 3.596 0.441 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -9.281 3.458 1.227 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -8.202 1.073 3.588 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -9.562 2.036 3.001 1.00 0.00 H new ATOM 911 N TYR A 61 -4.787 -1.811 1.767 1.00 0.00 N ATOM 912 CA TYR A 61 -5.540 -2.417 2.858 1.00 0.00 C ATOM 913 C TYR A 61 -4.647 -3.327 3.697 1.00 0.00 C ATOM 914 O TYR A 61 -4.578 -3.195 4.919 1.00 0.00 O ATOM 915 CB TYR A 61 -6.724 -3.214 2.308 1.00 0.00 C ATOM 916 CG TYR A 61 -7.993 -3.045 3.111 1.00 0.00 C ATOM 917 CD1 TYR A 61 -8.584 -1.796 3.260 1.00 0.00 C ATOM 918 CD2 TYR A 61 -8.603 -4.134 3.722 1.00 0.00 C ATOM 919 CE1 TYR A 61 -9.744 -1.637 3.994 1.00 0.00 C ATOM 920 CE2 TYR A 61 -9.763 -3.985 4.456 1.00 0.00 C ATOM 921 CZ TYR A 61 -10.329 -2.735 4.590 1.00 0.00 C ATOM 922 OH TYR A 61 -11.485 -2.580 5.321 1.00 0.00 O ATOM 0 H TYR A 61 -5.074 -2.115 0.837 1.00 0.00 H new ATOM 0 HA TYR A 61 -5.914 -1.616 3.496 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -6.911 -2.907 1.279 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.459 -4.271 2.282 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -8.129 -0.935 2.794 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -8.162 -5.115 3.621 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -10.190 -0.659 4.100 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -10.224 -4.843 4.923 1.00 0.00 H new ATOM 0 HH TYR A 61 -11.768 -3.450 5.673 1.00 0.00 H new ATOM 932 N LYS A 62 -3.962 -4.250 3.030 1.00 0.00 N ATOM 933 CA LYS A 62 -3.071 -5.182 3.711 1.00 0.00 C ATOM 934 C LYS A 62 -1.956 -4.436 4.437 1.00 0.00 C ATOM 935 O LYS A 62 -1.490 -4.870 5.491 1.00 0.00 O ATOM 936 CB LYS A 62 -2.469 -6.169 2.708 1.00 0.00 C ATOM 937 CG LYS A 62 -3.365 -7.359 2.414 1.00 0.00 C ATOM 938 CD LYS A 62 -2.559 -8.566 1.961 1.00 0.00 C ATOM 939 CE LYS A 62 -3.355 -9.441 1.006 1.00 0.00 C ATOM 940 NZ LYS A 62 -3.023 -10.884 1.168 1.00 0.00 N ATOM 0 H LYS A 62 -4.007 -4.373 2.018 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.656 -5.733 4.448 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.259 -5.644 1.776 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.515 -6.529 3.093 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.935 -7.615 3.307 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -4.086 -7.091 1.641 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.644 -8.231 1.472 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.260 -9.152 2.830 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.421 -9.292 1.180 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.153 -9.135 -0.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.586 -11.447 0.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.011 -11.031 0.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.239 -11.183 2.140 1.00 0.00 H new ATOM 954 N SER A 63 -1.534 -3.311 3.868 1.00 0.00 N ATOM 955 CA SER A 63 -0.472 -2.506 4.461 1.00 0.00 C ATOM 956 C SER A 63 -1.018 -1.628 5.583 1.00 0.00 C ATOM 957 O SER A 63 -0.285 -1.228 6.485 1.00 0.00 O ATOM 958 CB SER A 63 0.192 -1.635 3.393 1.00 0.00 C ATOM 959 OG SER A 63 1.350 -0.997 3.904 1.00 0.00 O ATOM 0 H SER A 63 -1.911 -2.936 2.997 1.00 0.00 H new ATOM 0 HA SER A 63 0.272 -3.182 4.882 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.460 -2.249 2.533 1.00 0.00 H new ATOM 0 HB3 SER A 63 -0.515 -0.884 3.040 1.00 0.00 H new ATOM 0 HG SER A 63 2.132 -1.272 3.382 1.00 0.00 H new ATOM 965 N ASN A 64 -2.313 -1.332 5.517 1.00 0.00 N ATOM 966 CA ASN A 64 -2.958 -0.501 6.527 1.00 0.00 C ATOM 967 C ASN A 64 -2.370 0.907 6.530 1.00 0.00 C ATOM 968 O ASN A 64 -2.166 1.504 7.587 1.00 0.00 O ATOM 969 CB ASN A 64 -2.806 -1.133 7.912 1.00 0.00 C ATOM 970 CG ASN A 64 -3.018 -2.634 7.889 1.00 0.00 C ATOM 971 OD1 ASN A 64 -2.104 -3.397 7.575 1.00 0.00 O ATOM 972 ND2 ASN A 64 -4.229 -3.065 8.223 1.00 0.00 N ATOM 0 H ASN A 64 -2.935 -1.655 4.776 1.00 0.00 H new ATOM 0 HA ASN A 64 -4.018 -0.432 6.282 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -1.811 -0.915 8.300 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.522 -0.678 8.596 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.432 -4.065 8.226 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.956 -2.396 8.476 1.00 0.00 H new ATOM 979 N LEU A 65 -2.099 1.431 5.340 1.00 0.00 N ATOM 980 CA LEU A 65 -1.535 2.770 5.204 1.00 0.00 C ATOM 981 C LEU A 65 -2.453 3.667 4.380 1.00 0.00 C ATOM 982 O LEU A 65 -3.091 3.231 3.422 1.00 0.00 O ATOM 983 CB LEU A 65 -0.153 2.698 4.552 1.00 0.00 C ATOM 984 CG LEU A 65 0.841 1.727 5.190 1.00 0.00 C ATOM 985 CD1 LEU A 65 2.159 1.737 4.432 1.00 0.00 C ATOM 986 CD2 LEU A 65 1.063 2.077 6.654 1.00 0.00 C ATOM 0 H LEU A 65 -2.260 0.950 4.455 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.438 3.200 6.201 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.281 2.420 3.506 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.285 3.696 4.565 1.00 0.00 H new ATOM 0 HG LEU A 65 0.423 0.722 5.137 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.854 1.040 4.901 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.987 1.437 3.398 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.583 2.741 4.453 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.773 1.376 7.092 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.459 3.090 6.730 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.116 2.017 7.190 1.00 0.00 H new ATOM 998 N PRO A 66 -2.520 4.952 4.758 1.00 0.00 N ATOM 999 CA PRO A 66 -3.354 5.938 4.066 1.00 0.00 C ATOM 1000 C PRO A 66 -2.823 6.273 2.676 1.00 0.00 C ATOM 1001 O PRO A 66 -1.633 6.116 2.401 1.00 0.00 O ATOM 1002 CB PRO A 66 -3.282 7.166 4.977 1.00 0.00 C ATOM 1003 CG PRO A 66 -1.993 7.019 5.709 1.00 0.00 C ATOM 1004 CD PRO A 66 -1.786 5.541 5.891 1.00 0.00 C ATOM 0 HA PRO A 66 -4.367 5.571 3.902 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.306 8.090 4.399 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.127 7.199 5.665 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.172 7.462 5.145 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.030 7.529 6.672 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.729 5.277 5.866 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.178 5.195 6.847 1.00 0.00 H new ATOM 1012 N LEU A 67 -3.712 6.737 1.804 1.00 0.00 N ATOM 1013 CA LEU A 67 -3.332 7.095 0.442 1.00 0.00 C ATOM 1014 C LEU A 67 -2.167 8.079 0.443 1.00 0.00 C ATOM 1015 O LEU A 67 -1.349 8.091 -0.478 1.00 0.00 O ATOM 1016 CB LEU A 67 -4.526 7.702 -0.298 1.00 0.00 C ATOM 1017 CG LEU A 67 -5.213 8.882 0.390 1.00 0.00 C ATOM 1018 CD1 LEU A 67 -5.165 10.118 -0.496 1.00 0.00 C ATOM 1019 CD2 LEU A 67 -6.651 8.531 0.742 1.00 0.00 C ATOM 0 H LEU A 67 -4.700 6.874 2.016 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.016 6.187 -0.072 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.190 8.027 -1.283 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.267 6.918 -0.456 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.678 9.101 1.314 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.659 10.948 0.010 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.127 10.382 -0.697 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.675 9.911 -1.437 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.124 9.383 1.231 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.199 8.285 -0.168 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.662 7.674 1.415 1.00 0.00 H new ATOM 1031 N THR A 68 -2.094 8.902 1.484 1.00 0.00 N ATOM 1032 CA THR A 68 -1.028 9.888 1.606 1.00 0.00 C ATOM 1033 C THR A 68 0.335 9.214 1.720 1.00 0.00 C ATOM 1034 O THR A 68 1.348 9.767 1.293 1.00 0.00 O ATOM 1035 CB THR A 68 -1.242 10.798 2.830 1.00 0.00 C ATOM 1036 OG1 THR A 68 -0.302 11.878 2.808 1.00 0.00 O ATOM 1037 CG2 THR A 68 -1.087 10.011 4.123 1.00 0.00 C ATOM 0 H THR A 68 -2.761 8.905 2.255 1.00 0.00 H new ATOM 0 HA THR A 68 -1.055 10.496 0.701 1.00 0.00 H new ATOM 0 HB THR A 68 -2.255 11.198 2.785 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.446 12.453 3.589 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.242 10.675 4.974 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.823 9.207 4.150 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.084 9.586 4.173 1.00 0.00 H new ATOM 1045 N GLU A 69 0.351 8.017 2.297 1.00 0.00 N ATOM 1046 CA GLU A 69 1.591 7.268 2.466 1.00 0.00 C ATOM 1047 C GLU A 69 1.874 6.402 1.242 1.00 0.00 C ATOM 1048 O GLU A 69 2.923 6.529 0.608 1.00 0.00 O ATOM 1049 CB GLU A 69 1.516 6.391 3.718 1.00 0.00 C ATOM 1050 CG GLU A 69 1.614 7.175 5.016 1.00 0.00 C ATOM 1051 CD GLU A 69 3.047 7.368 5.474 1.00 0.00 C ATOM 1052 OE1 GLU A 69 3.595 6.448 6.115 1.00 0.00 O ATOM 1053 OE2 GLU A 69 3.620 8.442 5.191 1.00 0.00 O ATOM 0 H GLU A 69 -0.479 7.545 2.655 1.00 0.00 H new ATOM 0 HA GLU A 69 2.405 7.983 2.580 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.577 5.837 3.708 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.320 5.656 3.685 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.144 8.150 4.884 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.055 6.655 5.794 1.00 0.00 H new ATOM 1060 N ILE A 70 0.934 5.522 0.916 1.00 0.00 N ATOM 1061 CA ILE A 70 1.082 4.636 -0.232 1.00 0.00 C ATOM 1062 C ILE A 70 1.438 5.420 -1.490 1.00 0.00 C ATOM 1063 O ILE A 70 2.141 4.920 -2.367 1.00 0.00 O ATOM 1064 CB ILE A 70 -0.204 3.829 -0.490 1.00 0.00 C ATOM 1065 CG1 ILE A 70 -0.563 2.992 0.740 1.00 0.00 C ATOM 1066 CG2 ILE A 70 -0.035 2.938 -1.712 1.00 0.00 C ATOM 1067 CD1 ILE A 70 0.462 1.930 1.069 1.00 0.00 C ATOM 0 H ILE A 70 0.061 5.403 1.431 1.00 0.00 H new ATOM 0 HA ILE A 70 1.892 3.947 0.005 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.019 4.526 -0.683 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.677 3.654 1.599 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.529 2.514 0.575 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.952 2.374 -1.881 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.178 3.555 -2.585 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.791 2.246 -1.546 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.142 1.376 1.952 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.560 1.245 0.227 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.424 2.402 1.266 1.00 0.00 H new ATOM 1079 N ASN A 71 0.948 6.653 -1.570 1.00 0.00 N ATOM 1080 CA ASN A 71 1.215 7.508 -2.721 1.00 0.00 C ATOM 1081 C ASN A 71 2.715 7.702 -2.917 1.00 0.00 C ATOM 1082 O ASN A 71 3.216 7.665 -4.042 1.00 0.00 O ATOM 1083 CB ASN A 71 0.533 8.866 -2.543 1.00 0.00 C ATOM 1084 CG ASN A 71 -0.869 8.889 -3.122 1.00 0.00 C ATOM 1085 OD1 ASN A 71 -1.222 8.055 -3.956 1.00 0.00 O ATOM 1086 ND2 ASN A 71 -1.676 9.847 -2.681 1.00 0.00 N ATOM 0 H ASN A 71 0.364 7.082 -0.852 1.00 0.00 H new ATOM 0 HA ASN A 71 0.810 7.019 -3.607 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.489 9.111 -1.482 1.00 0.00 H new ATOM 0 HB3 ASN A 71 1.134 9.637 -3.024 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.631 9.912 -3.034 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.341 10.517 -1.989 1.00 0.00 H new ATOM 1093 N LYS A 72 3.429 7.910 -1.816 1.00 0.00 N ATOM 1094 CA LYS A 72 4.872 8.108 -1.865 1.00 0.00 C ATOM 1095 C LYS A 72 5.602 6.773 -1.972 1.00 0.00 C ATOM 1096 O LYS A 72 6.625 6.667 -2.650 1.00 0.00 O ATOM 1097 CB LYS A 72 5.347 8.862 -0.620 1.00 0.00 C ATOM 1098 CG LYS A 72 6.858 8.965 -0.511 1.00 0.00 C ATOM 1099 CD LYS A 72 7.279 9.647 0.780 1.00 0.00 C ATOM 1100 CE LYS A 72 6.826 11.099 0.817 1.00 0.00 C ATOM 1101 NZ LYS A 72 7.864 11.989 1.406 1.00 0.00 N ATOM 0 H LYS A 72 3.031 7.946 -0.878 1.00 0.00 H new ATOM 0 HA LYS A 72 5.102 8.700 -2.751 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.923 9.866 -0.630 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.960 8.361 0.267 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.296 7.968 -0.556 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.248 9.523 -1.362 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.857 9.111 1.630 1.00 0.00 H new ATOM 0 HD3 LYS A 72 8.363 9.600 0.881 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.593 11.433 -0.194 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.907 11.178 1.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.517 12.969 1.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.068 11.687 2.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.733 11.933 0.837 1.00 0.00 H new ATOM 1115 N ILE A 73 5.069 5.757 -1.302 1.00 0.00 N ATOM 1116 CA ILE A 73 5.668 4.429 -1.325 1.00 0.00 C ATOM 1117 C ILE A 73 5.635 3.835 -2.729 1.00 0.00 C ATOM 1118 O ILE A 73 6.674 3.496 -3.297 1.00 0.00 O ATOM 1119 CB ILE A 73 4.950 3.470 -0.357 1.00 0.00 C ATOM 1120 CG1 ILE A 73 4.993 4.023 1.069 1.00 0.00 C ATOM 1121 CG2 ILE A 73 5.583 2.088 -0.414 1.00 0.00 C ATOM 1122 CD1 ILE A 73 4.147 3.239 2.047 1.00 0.00 C ATOM 0 H ILE A 73 4.223 5.828 -0.736 1.00 0.00 H new ATOM 0 HA ILE A 73 6.704 4.545 -1.006 1.00 0.00 H new ATOM 0 HB ILE A 73 3.907 3.383 -0.662 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.026 4.028 1.417 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.655 5.059 1.058 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.065 1.422 0.276 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.505 1.694 -1.427 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.633 2.157 -0.131 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.226 3.688 3.037 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.106 3.255 1.723 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.498 2.208 2.087 1.00 0.00 H new ATOM 1134 N LEU A 74 4.434 3.712 -3.285 1.00 0.00 N ATOM 1135 CA LEU A 74 4.265 3.161 -4.625 1.00 0.00 C ATOM 1136 C LEU A 74 5.132 3.907 -5.635 1.00 0.00 C ATOM 1137 O LEU A 74 5.599 3.328 -6.616 1.00 0.00 O ATOM 1138 CB LEU A 74 2.795 3.234 -5.045 1.00 0.00 C ATOM 1139 CG LEU A 74 1.893 2.114 -4.526 1.00 0.00 C ATOM 1140 CD1 LEU A 74 0.445 2.372 -4.916 1.00 0.00 C ATOM 1141 CD2 LEU A 74 2.357 0.765 -5.056 1.00 0.00 C ATOM 0 H LEU A 74 3.564 3.986 -2.829 1.00 0.00 H new ATOM 0 HA LEU A 74 4.580 2.118 -4.605 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.388 4.187 -4.707 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.749 3.236 -6.134 1.00 0.00 H new ATOM 0 HG LEU A 74 1.958 2.096 -3.438 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.183 1.565 -4.538 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.116 3.319 -4.487 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.363 2.418 -6.002 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.703 -0.020 -4.676 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.322 0.771 -6.145 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.379 0.577 -4.727 1.00 0.00 H new ATOM 1153 N LYS A 75 5.345 5.194 -5.387 1.00 0.00 N ATOM 1154 CA LYS A 75 6.159 6.020 -6.271 1.00 0.00 C ATOM 1155 C LYS A 75 7.643 5.837 -5.972 1.00 0.00 C ATOM 1156 O LYS A 75 8.490 6.031 -6.844 1.00 0.00 O ATOM 1157 CB LYS A 75 5.775 7.494 -6.123 1.00 0.00 C ATOM 1158 CG LYS A 75 4.579 7.899 -6.967 1.00 0.00 C ATOM 1159 CD LYS A 75 4.907 7.865 -8.450 1.00 0.00 C ATOM 1160 CE LYS A 75 5.279 9.245 -8.970 1.00 0.00 C ATOM 1161 NZ LYS A 75 5.208 9.316 -10.456 1.00 0.00 N ATOM 0 H LYS A 75 4.965 5.689 -4.580 1.00 0.00 H new ATOM 0 HA LYS A 75 5.972 5.704 -7.297 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.556 7.700 -5.075 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.629 8.113 -6.398 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.744 7.229 -6.762 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.258 8.902 -6.687 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.732 7.174 -8.626 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.049 7.485 -9.005 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.609 9.988 -8.539 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.288 9.497 -8.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.469 10.272 -10.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.866 8.624 -10.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.239 9.101 -10.768 1.00 0.00 H new ATOM 1175 N ASN A 76 7.952 5.462 -4.735 1.00 0.00 N ATOM 1176 CA ASN A 76 9.334 5.252 -4.322 1.00 0.00 C ATOM 1177 C ASN A 76 9.939 4.049 -5.038 1.00 0.00 C ATOM 1178 O ASN A 76 10.931 4.174 -5.758 1.00 0.00 O ATOM 1179 CB ASN A 76 9.411 5.050 -2.807 1.00 0.00 C ATOM 1180 CG ASN A 76 10.479 5.913 -2.162 1.00 0.00 C ATOM 1181 OD1 ASN A 76 11.673 5.643 -2.293 1.00 0.00 O ATOM 1182 ND2 ASN A 76 10.052 6.957 -1.461 1.00 0.00 N ATOM 0 H ASN A 76 7.263 5.297 -4.001 1.00 0.00 H new ATOM 0 HA ASN A 76 9.906 6.139 -4.593 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.443 5.282 -2.363 1.00 0.00 H new ATOM 0 HB3 ASN A 76 9.617 4.001 -2.593 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.724 7.574 -1.004 1.00 0.00 H new ATOM 0 HD22 ASN A 76 9.052 7.142 -1.380 1.00 0.00 H new ATOM 1189 N LEU A 77 9.336 2.883 -4.837 1.00 0.00 N ATOM 1190 CA LEU A 77 9.814 1.655 -5.463 1.00 0.00 C ATOM 1191 C LEU A 77 9.974 1.839 -6.969 1.00 0.00 C ATOM 1192 O LEU A 77 10.922 1.334 -7.568 1.00 0.00 O ATOM 1193 CB LEU A 77 8.848 0.504 -5.178 1.00 0.00 C ATOM 1194 CG LEU A 77 9.044 -0.222 -3.847 1.00 0.00 C ATOM 1195 CD1 LEU A 77 7.798 -1.015 -3.483 1.00 0.00 C ATOM 1196 CD2 LEU A 77 10.259 -1.136 -3.911 1.00 0.00 C ATOM 0 H LEU A 77 8.514 2.762 -4.245 1.00 0.00 H new ATOM 0 HA LEU A 77 10.789 1.416 -5.039 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.831 0.894 -5.210 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.936 -0.225 -5.983 1.00 0.00 H new ATOM 0 HG LEU A 77 9.216 0.524 -3.071 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.956 -1.525 -2.533 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.949 -0.338 -3.394 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.595 -1.751 -4.261 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.383 -1.644 -2.955 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.117 -1.875 -4.699 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.149 -0.544 -4.125 1.00 0.00 H new ATOM 1208 N GLU A 78 9.040 2.567 -7.574 1.00 0.00 N ATOM 1209 CA GLU A 78 9.079 2.819 -9.009 1.00 0.00 C ATOM 1210 C GLU A 78 10.408 3.449 -9.415 1.00 0.00 C ATOM 1211 O GLU A 78 11.126 2.918 -10.263 1.00 0.00 O ATOM 1212 CB GLU A 78 7.922 3.732 -9.421 1.00 0.00 C ATOM 1213 CG GLU A 78 7.251 3.316 -10.719 1.00 0.00 C ATOM 1214 CD GLU A 78 7.653 4.191 -11.891 1.00 0.00 C ATOM 1215 OE1 GLU A 78 8.797 4.051 -12.371 1.00 0.00 O ATOM 1216 OE2 GLU A 78 6.822 5.015 -12.327 1.00 0.00 O ATOM 0 H GLU A 78 8.248 2.992 -7.092 1.00 0.00 H new ATOM 0 HA GLU A 78 8.978 1.863 -9.522 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.178 3.743 -8.625 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.294 4.751 -9.524 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.507 2.280 -10.940 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.169 3.358 -10.594 1.00 0.00 H new ATOM 1223 N SER A 79 10.729 4.585 -8.804 1.00 0.00 N ATOM 1224 CA SER A 79 11.970 5.290 -9.104 1.00 0.00 C ATOM 1225 C SER A 79 13.177 4.385 -8.883 1.00 0.00 C ATOM 1226 O SER A 79 14.161 4.449 -9.621 1.00 0.00 O ATOM 1227 CB SER A 79 12.092 6.543 -8.235 1.00 0.00 C ATOM 1228 OG SER A 79 12.251 7.704 -9.032 1.00 0.00 O ATOM 0 H SER A 79 10.147 5.037 -8.098 1.00 0.00 H new ATOM 0 HA SER A 79 11.947 5.584 -10.153 1.00 0.00 H new ATOM 0 HB2 SER A 79 11.203 6.645 -7.612 1.00 0.00 H new ATOM 0 HB3 SER A 79 12.943 6.441 -7.562 1.00 0.00 H new ATOM 0 HG SER A 79 12.325 8.491 -8.453 1.00 0.00 H new ATOM 1234 N LYS A 80 13.096 3.540 -7.860 1.00 0.00 N ATOM 1235 CA LYS A 80 14.179 2.619 -7.540 1.00 0.00 C ATOM 1236 C LYS A 80 14.326 1.554 -8.621 1.00 0.00 C ATOM 1237 O LYS A 80 15.320 0.828 -8.662 1.00 0.00 O ATOM 1238 CB LYS A 80 13.927 1.953 -6.185 1.00 0.00 C ATOM 1239 CG LYS A 80 13.517 2.929 -5.095 1.00 0.00 C ATOM 1240 CD LYS A 80 14.373 2.767 -3.851 1.00 0.00 C ATOM 1241 CE LYS A 80 13.887 3.660 -2.719 1.00 0.00 C ATOM 1242 NZ LYS A 80 14.961 3.929 -1.724 1.00 0.00 N ATOM 0 H LYS A 80 12.290 3.475 -7.238 1.00 0.00 H new ATOM 0 HA LYS A 80 15.105 3.192 -7.490 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.147 1.200 -6.299 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.831 1.431 -5.872 1.00 0.00 H new ATOM 0 HG2 LYS A 80 13.604 3.950 -5.468 1.00 0.00 H new ATOM 0 HG3 LYS A 80 12.469 2.772 -4.840 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.354 1.726 -3.528 1.00 0.00 H new ATOM 0 HD3 LYS A 80 15.409 3.009 -4.087 1.00 0.00 H new ATOM 0 HE2 LYS A 80 13.528 4.604 -3.130 1.00 0.00 H new ATOM 0 HE3 LYS A 80 13.041 3.187 -2.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 14.614 3.705 -0.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 15.789 3.338 -1.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 15.231 4.932 -1.767 1.00 0.00 H new ATOM 1256 N LYS A 81 13.331 1.466 -9.498 1.00 0.00 N ATOM 1257 CA LYS A 81 13.350 0.492 -10.582 1.00 0.00 C ATOM 1258 C LYS A 81 13.332 -0.932 -10.035 1.00 0.00 C ATOM 1259 O LYS A 81 13.934 -1.838 -10.614 1.00 0.00 O ATOM 1260 CB LYS A 81 14.588 0.697 -11.459 1.00 0.00 C ATOM 1261 CG LYS A 81 14.333 0.458 -12.937 1.00 0.00 C ATOM 1262 CD LYS A 81 15.033 -0.799 -13.427 1.00 0.00 C ATOM 1263 CE LYS A 81 16.406 -0.485 -14.000 1.00 0.00 C ATOM 1264 NZ LYS A 81 16.761 -1.398 -15.122 1.00 0.00 N ATOM 0 H LYS A 81 12.501 2.058 -9.479 1.00 0.00 H new ATOM 0 HA LYS A 81 12.455 0.642 -11.186 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.955 1.714 -11.322 1.00 0.00 H new ATOM 0 HB3 LYS A 81 15.377 0.025 -11.122 1.00 0.00 H new ATOM 0 HG2 LYS A 81 13.261 0.371 -13.113 1.00 0.00 H new ATOM 0 HG3 LYS A 81 14.681 1.317 -13.511 1.00 0.00 H new ATOM 0 HD2 LYS A 81 15.134 -1.505 -12.603 1.00 0.00 H new ATOM 0 HD3 LYS A 81 14.422 -1.284 -14.188 1.00 0.00 H new ATOM 0 HE2 LYS A 81 16.426 0.547 -14.351 1.00 0.00 H new ATOM 0 HE3 LYS A 81 17.156 -0.568 -13.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 17.704 -1.151 -15.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 16.767 -2.381 -14.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 16.060 -1.300 -15.884 1.00 0.00 H new ATOM 1278 N LEU A 82 12.639 -1.123 -8.919 1.00 0.00 N ATOM 1279 CA LEU A 82 12.541 -2.438 -8.294 1.00 0.00 C ATOM 1280 C LEU A 82 11.227 -3.119 -8.661 1.00 0.00 C ATOM 1281 O LEU A 82 11.131 -4.346 -8.661 1.00 0.00 O ATOM 1282 CB LEU A 82 12.657 -2.312 -6.774 1.00 0.00 C ATOM 1283 CG LEU A 82 14.055 -2.015 -6.229 1.00 0.00 C ATOM 1284 CD1 LEU A 82 14.011 -1.825 -4.721 1.00 0.00 C ATOM 1285 CD2 LEU A 82 15.020 -3.132 -6.601 1.00 0.00 C ATOM 0 H LEU A 82 12.136 -0.384 -8.427 1.00 0.00 H new ATOM 0 HA LEU A 82 13.362 -3.051 -8.665 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.984 -1.521 -6.443 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.303 -3.240 -6.325 1.00 0.00 H new ATOM 0 HG LEU A 82 14.411 -1.089 -6.680 1.00 0.00 H new ATOM 0 HD11 LEU A 82 15.015 -1.615 -4.351 1.00 0.00 H new ATOM 0 HD12 LEU A 82 13.353 -0.991 -4.478 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.634 -2.733 -4.251 1.00 0.00 H new ATOM 0 HD21 LEU A 82 16.010 -2.904 -6.205 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.668 -4.073 -6.178 1.00 0.00 H new ATOM 0 HD23 LEU A 82 15.074 -3.220 -7.686 1.00 0.00 H new ATOM 1297 N ILE A 83 10.217 -2.314 -8.974 1.00 0.00 N ATOM 1298 CA ILE A 83 8.909 -2.839 -9.346 1.00 0.00 C ATOM 1299 C ILE A 83 8.483 -2.331 -10.719 1.00 0.00 C ATOM 1300 O ILE A 83 9.152 -1.487 -11.317 1.00 0.00 O ATOM 1301 CB ILE A 83 7.834 -2.456 -8.313 1.00 0.00 C ATOM 1302 CG1 ILE A 83 7.688 -0.935 -8.235 1.00 0.00 C ATOM 1303 CG2 ILE A 83 8.183 -3.031 -6.948 1.00 0.00 C ATOM 1304 CD1 ILE A 83 6.625 -0.479 -7.261 1.00 0.00 C ATOM 0 H ILE A 83 10.280 -1.296 -8.977 1.00 0.00 H new ATOM 0 HA ILE A 83 9.002 -3.925 -9.376 1.00 0.00 H new ATOM 0 HB ILE A 83 6.880 -2.877 -8.630 1.00 0.00 H new ATOM 0 HG12 ILE A 83 8.645 -0.501 -7.945 1.00 0.00 H new ATOM 0 HG13 ILE A 83 7.450 -0.550 -9.226 1.00 0.00 H new ATOM 0 HG21 ILE A 83 7.414 -2.752 -6.228 1.00 0.00 H new ATOM 0 HG22 ILE A 83 8.240 -4.117 -7.015 1.00 0.00 H new ATOM 0 HG23 ILE A 83 9.145 -2.636 -6.622 1.00 0.00 H new ATOM 0 HD11 ILE A 83 6.577 0.610 -7.258 1.00 0.00 H new ATOM 0 HD12 ILE A 83 5.659 -0.884 -7.561 1.00 0.00 H new ATOM 0 HD13 ILE A 83 6.872 -0.834 -6.260 1.00 0.00 H new ATOM 1316 N LYS A 84 7.363 -2.848 -11.214 1.00 0.00 N ATOM 1317 CA LYS A 84 6.844 -2.445 -12.515 1.00 0.00 C ATOM 1318 C LYS A 84 5.334 -2.238 -12.458 1.00 0.00 C ATOM 1319 O LYS A 84 4.581 -3.165 -12.160 1.00 0.00 O ATOM 1320 CB LYS A 84 7.185 -3.499 -13.572 1.00 0.00 C ATOM 1321 CG LYS A 84 6.651 -4.883 -13.245 1.00 0.00 C ATOM 1322 CD LYS A 84 7.338 -5.955 -14.074 1.00 0.00 C ATOM 1323 CE LYS A 84 6.331 -6.918 -14.684 1.00 0.00 C ATOM 1324 NZ LYS A 84 6.815 -7.482 -15.975 1.00 0.00 N ATOM 0 H LYS A 84 6.797 -3.547 -10.733 1.00 0.00 H new ATOM 0 HA LYS A 84 7.313 -1.500 -12.788 1.00 0.00 H new ATOM 0 HB2 LYS A 84 6.782 -3.181 -14.533 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.268 -3.553 -13.683 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.799 -5.090 -12.185 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.577 -4.912 -13.428 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.921 -5.486 -14.867 1.00 0.00 H new ATOM 0 HD3 LYS A 84 8.038 -6.508 -13.448 1.00 0.00 H new ATOM 0 HE2 LYS A 84 6.135 -7.730 -13.984 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.385 -6.401 -14.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 6.101 -8.133 -16.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.978 -6.709 -16.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 7.704 -7.998 -15.817 1.00 0.00 H new ATOM 1338 N ALA A 85 4.897 -1.016 -12.745 1.00 0.00 N ATOM 1339 CA ALA A 85 3.477 -0.689 -12.730 1.00 0.00 C ATOM 1340 C ALA A 85 2.773 -1.241 -13.965 1.00 0.00 C ATOM 1341 O ALA A 85 3.326 -1.229 -15.064 1.00 0.00 O ATOM 1342 CB ALA A 85 3.284 0.818 -12.639 1.00 0.00 C ATOM 0 H ALA A 85 5.507 -0.236 -12.991 1.00 0.00 H new ATOM 0 HA ALA A 85 3.031 -1.155 -11.852 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.219 1.048 -12.629 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.744 1.189 -11.723 1.00 0.00 H new ATOM 0 HB3 ALA A 85 3.751 1.297 -13.500 1.00 0.00 H new ATOM 1348 N VAL A 86 1.549 -1.725 -13.775 1.00 0.00 N ATOM 1349 CA VAL A 86 0.769 -2.282 -14.874 1.00 0.00 C ATOM 1350 C VAL A 86 -0.636 -1.691 -14.905 1.00 0.00 C ATOM 1351 O VAL A 86 -1.422 -1.879 -13.977 1.00 0.00 O ATOM 1352 CB VAL A 86 0.667 -3.815 -14.769 1.00 0.00 C ATOM 1353 CG1 VAL A 86 1.979 -4.467 -15.178 1.00 0.00 C ATOM 1354 CG2 VAL A 86 0.274 -4.227 -13.359 1.00 0.00 C ATOM 0 H VAL A 86 1.077 -1.742 -12.871 1.00 0.00 H new ATOM 0 HA VAL A 86 1.290 -2.022 -15.796 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.110 -4.158 -15.453 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.888 -5.550 -15.097 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.213 -4.198 -16.208 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.778 -4.120 -14.522 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.207 -5.313 -13.303 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.026 -3.873 -12.654 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.693 -3.790 -13.108 1.00 0.00 H new ATOM 1364 N LYS A 87 -0.946 -0.975 -15.981 1.00 0.00 N ATOM 1365 CA LYS A 87 -2.258 -0.356 -16.136 1.00 0.00 C ATOM 1366 C LYS A 87 -3.139 -1.177 -17.071 1.00 0.00 C ATOM 1367 O LYS A 87 -2.647 -1.822 -17.997 1.00 0.00 O ATOM 1368 CB LYS A 87 -2.112 1.069 -16.675 1.00 0.00 C ATOM 1369 CG LYS A 87 -1.248 1.162 -17.921 1.00 0.00 C ATOM 1370 CD LYS A 87 -1.756 2.232 -18.873 1.00 0.00 C ATOM 1371 CE LYS A 87 -1.863 1.707 -20.296 1.00 0.00 C ATOM 1372 NZ LYS A 87 -2.189 2.791 -21.264 1.00 0.00 N ATOM 0 H LYS A 87 -0.307 -0.809 -16.758 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.733 -0.320 -15.156 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -3.102 1.467 -16.899 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.683 1.701 -15.897 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -0.220 1.385 -17.636 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.236 0.198 -18.429 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -2.732 2.583 -18.539 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -1.084 3.090 -18.850 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -0.922 1.236 -20.581 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -2.632 0.936 -20.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -2.253 2.393 -22.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -3.099 3.224 -21.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -1.442 3.515 -21.239 1.00 0.00 H new ATOM 1386 N SER A 88 -4.445 -1.148 -16.824 1.00 0.00 N ATOM 1387 CA SER A 88 -5.395 -1.892 -17.643 1.00 0.00 C ATOM 1388 C SER A 88 -5.605 -1.206 -18.990 1.00 0.00 C ATOM 1389 O SER A 88 -5.856 -0.002 -19.054 1.00 0.00 O ATOM 1390 CB SER A 88 -6.732 -2.029 -16.914 1.00 0.00 C ATOM 1391 OG SER A 88 -7.772 -2.371 -17.814 1.00 0.00 O ATOM 0 H SER A 88 -4.869 -0.617 -16.063 1.00 0.00 H new ATOM 0 HA SER A 88 -4.983 -2.885 -17.821 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.651 -2.792 -16.140 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.974 -1.092 -16.413 1.00 0.00 H new ATOM 0 HG SER A 88 -8.616 -2.454 -17.323 1.00 0.00 H new ATOM 1397 N VAL A 89 -5.500 -1.981 -20.065 1.00 0.00 N ATOM 1398 CA VAL A 89 -5.680 -1.450 -21.410 1.00 0.00 C ATOM 1399 C VAL A 89 -7.146 -1.138 -21.687 1.00 0.00 C ATOM 1400 O VAL A 89 -8.015 -1.995 -21.527 1.00 0.00 O ATOM 1401 CB VAL A 89 -5.166 -2.436 -22.476 1.00 0.00 C ATOM 1402 CG1 VAL A 89 -5.356 -1.861 -23.872 1.00 0.00 C ATOM 1403 CG2 VAL A 89 -3.705 -2.778 -22.225 1.00 0.00 C ATOM 0 H VAL A 89 -5.291 -2.979 -20.030 1.00 0.00 H new ATOM 0 HA VAL A 89 -5.099 -0.529 -21.467 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.748 -3.355 -22.406 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -4.987 -2.572 -24.612 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -6.415 -1.672 -24.047 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.802 -0.926 -23.959 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.358 -3.476 -22.987 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.106 -1.868 -22.266 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.602 -3.236 -21.241 1.00 0.00 H new ATOM 1413 N SER A 90 -7.414 0.096 -22.105 1.00 0.00 N ATOM 1414 CA SER A 90 -8.777 0.523 -22.401 1.00 0.00 C ATOM 1415 C SER A 90 -9.013 0.577 -23.908 1.00 0.00 C ATOM 1416 O SER A 90 -10.103 0.268 -24.388 1.00 0.00 O ATOM 1417 CB SER A 90 -9.050 1.894 -21.781 1.00 0.00 C ATOM 1418 OG SER A 90 -8.505 2.932 -22.578 1.00 0.00 O ATOM 0 H SER A 90 -6.706 0.817 -22.246 1.00 0.00 H new ATOM 0 HA SER A 90 -9.463 -0.206 -21.969 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.125 2.040 -21.673 1.00 0.00 H new ATOM 0 HB3 SER A 90 -8.620 1.936 -20.780 1.00 0.00 H new ATOM 0 HG SER A 90 -8.694 3.798 -22.161 1.00 0.00 H new ATOM 1424 N GLY A 91 -7.983 0.972 -24.649 1.00 0.00 N ATOM 1425 CA GLY A 91 -8.098 1.060 -26.093 1.00 0.00 C ATOM 1426 C GLY A 91 -8.514 2.441 -26.558 1.00 0.00 C ATOM 1427 O GLY A 91 -9.693 2.713 -26.787 1.00 0.00 O ATOM 0 H GLY A 91 -7.070 1.233 -24.275 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -7.142 0.800 -26.547 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.826 0.328 -26.442 1.00 0.00 H new ATOM 1431 N PRO A 92 -7.532 3.343 -26.703 1.00 0.00 N ATOM 1432 CA PRO A 92 -7.779 4.719 -27.145 1.00 0.00 C ATOM 1433 C PRO A 92 -8.196 4.792 -28.610 1.00 0.00 C ATOM 1434 O PRO A 92 -8.819 5.762 -29.040 1.00 0.00 O ATOM 1435 CB PRO A 92 -6.426 5.405 -26.939 1.00 0.00 C ATOM 1436 CG PRO A 92 -5.426 4.304 -27.018 1.00 0.00 C ATOM 1437 CD PRO A 92 -6.104 3.088 -26.449 1.00 0.00 C ATOM 0 HA PRO A 92 -8.597 5.184 -26.594 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -6.245 6.160 -27.704 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -6.382 5.911 -25.975 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -5.116 4.132 -28.049 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -4.528 4.551 -26.452 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -5.766 2.174 -26.937 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -5.899 2.975 -25.384 1.00 0.00 H new ATOM 1445 N SER A 93 -7.849 3.759 -29.371 1.00 0.00 N ATOM 1446 CA SER A 93 -8.184 3.708 -30.789 1.00 0.00 C ATOM 1447 C SER A 93 -7.551 4.876 -31.540 1.00 0.00 C ATOM 1448 O SER A 93 -6.856 5.703 -30.950 1.00 0.00 O ATOM 1449 CB SER A 93 -9.703 3.730 -30.977 1.00 0.00 C ATOM 1450 OG SER A 93 -10.098 2.878 -32.038 1.00 0.00 O ATOM 0 H SER A 93 -7.336 2.946 -29.029 1.00 0.00 H new ATOM 0 HA SER A 93 -7.787 2.778 -31.197 1.00 0.00 H new ATOM 0 HB2 SER A 93 -10.191 3.417 -30.054 1.00 0.00 H new ATOM 0 HB3 SER A 93 -10.032 4.749 -31.182 1.00 0.00 H new ATOM 0 HG SER A 93 -11.073 2.909 -32.137 1.00 0.00 H new ATOM 1456 N SER A 94 -7.797 4.936 -32.845 1.00 0.00 N ATOM 1457 CA SER A 94 -7.248 5.999 -33.678 1.00 0.00 C ATOM 1458 C SER A 94 -8.177 7.209 -33.696 1.00 0.00 C ATOM 1459 O SER A 94 -9.381 7.079 -33.917 1.00 0.00 O ATOM 1460 CB SER A 94 -7.023 5.493 -35.104 1.00 0.00 C ATOM 1461 OG SER A 94 -8.215 5.571 -35.867 1.00 0.00 O ATOM 0 H SER A 94 -8.373 4.261 -33.348 1.00 0.00 H new ATOM 0 HA SER A 94 -6.292 6.303 -33.253 1.00 0.00 H new ATOM 0 HB2 SER A 94 -6.241 6.083 -35.583 1.00 0.00 H new ATOM 0 HB3 SER A 94 -6.672 4.461 -35.076 1.00 0.00 H new ATOM 0 HG SER A 94 -8.044 5.244 -36.775 1.00 0.00 H new ATOM 1467 N GLY A 95 -7.609 8.388 -33.462 1.00 0.00 N ATOM 1468 CA GLY A 95 -8.399 9.605 -33.456 1.00 0.00 C ATOM 1469 C GLY A 95 -7.621 10.799 -32.938 1.00 0.00 C ATOM 1470 O GLY A 95 -8.117 11.556 -32.104 1.00 0.00 O ATOM 0 H GLY A 95 -6.615 8.522 -33.276 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -8.747 9.813 -34.468 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -9.285 9.457 -32.838 1.00 0.00 H new TER 1474 GLY A 95