USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 797 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 53 GLN :FLIP amide:sc= -1.54 F(o=-3!,f=-1.6) USER MOD Set 1.2: A 61 TYR OH : rot 180:sc= -0.0429 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 169:sc= -0.0559 (180deg=-0.39) 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 17 ASN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 90:sc= 0.0563 USER MOD Single : A 34 HIS :FLIP no HD1:sc= -3.18! C(o=-4.5!,f=-3.2!) USER MOD Single : A 35 ASN :FLIP amide:sc= -3.95! C(o=-11!,f=-3.9!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 40 SER OG : rot 180:sc= -0.18 USER MOD Single : A 46 LYS NZ :NH3+ 177:sc= 0.255 (180deg=0.252) USER MOD Single : A 49 SER OG : rot 37:sc= 0.823 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -2.62! C(o=-2.6!,f=-6.1!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 30:sc= -0.12 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl -124:sc= -2.59! (180deg=-4.22!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.684 K(o=-0.68,f=-4.1!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -0.27 K(o=-0.27,f=-1.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.385 -29.989 22.359 1.00 0.00 N ATOM 2 CA MET A 1 1.518 -29.719 21.497 1.00 0.00 C ATOM 3 C MET A 1 1.063 -28.935 20.274 1.00 0.00 C ATOM 4 O MET A 1 1.695 -28.997 19.221 1.00 0.00 O ATOM 5 CB MET A 1 2.166 -31.038 21.082 1.00 0.00 C ATOM 6 CG MET A 1 3.660 -30.824 20.862 1.00 0.00 C ATOM 7 SD MET A 1 4.708 -31.611 22.110 1.00 0.00 S ATOM 8 CE MET A 1 6.312 -31.444 21.289 1.00 0.00 C ATOM 0 H1 MET A 1 0.660 -30.676 23.089 1.00 0.00 H new ATOM 0 H2 MET A 1 0.076 -29.106 22.813 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.396 -30.379 21.794 1.00 0.00 H new ATOM 0 HA MET A 1 2.253 -29.120 22.035 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.005 -31.792 21.852 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.703 -31.411 20.169 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.931 -31.210 19.879 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.866 -29.754 20.852 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.089 -31.878 21.917 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.287 -31.964 20.331 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.528 -30.389 21.123 1.00 0.00 H new ATOM 20 N SER A 2 -0.038 -28.195 20.416 1.00 0.00 N ATOM 21 CA SER A 2 -0.571 -27.402 19.326 1.00 0.00 C ATOM 22 C SER A 2 -1.266 -26.166 19.878 1.00 0.00 C ATOM 23 O SER A 2 -1.484 -26.058 21.083 1.00 0.00 O ATOM 24 CB SER A 2 -1.544 -28.250 18.511 1.00 0.00 C ATOM 25 OG SER A 2 -1.568 -27.786 17.179 1.00 0.00 O ATOM 0 H SER A 2 -0.574 -28.134 21.282 1.00 0.00 H new ATOM 0 HA SER A 2 0.242 -27.077 18.676 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.242 -29.297 18.538 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.543 -28.196 18.945 1.00 0.00 H new ATOM 0 HG SER A 2 -2.191 -28.331 16.654 1.00 0.00 H new ATOM 31 N SER A 3 -1.614 -25.231 18.992 1.00 0.00 N ATOM 32 CA SER A 3 -2.282 -24.008 19.393 1.00 0.00 C ATOM 33 C SER A 3 -3.719 -24.017 18.892 1.00 0.00 C ATOM 34 O SER A 3 -4.032 -24.678 17.905 1.00 0.00 O ATOM 35 CB SER A 3 -1.523 -22.808 18.837 1.00 0.00 C ATOM 36 OG SER A 3 -1.717 -21.696 19.682 1.00 0.00 O ATOM 0 H SER A 3 -1.440 -25.305 17.990 1.00 0.00 H new ATOM 0 HA SER A 3 -2.298 -23.938 20.481 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.461 -23.040 18.761 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.872 -22.578 17.830 1.00 0.00 H new ATOM 0 HG SER A 3 -1.228 -20.925 19.326 1.00 0.00 H new ATOM 42 N ASP A 4 -4.595 -23.278 19.577 1.00 0.00 N ATOM 43 CA ASP A 4 -5.992 -23.204 19.200 1.00 0.00 C ATOM 44 C ASP A 4 -6.155 -22.272 18.007 1.00 0.00 C ATOM 45 O ASP A 4 -5.406 -21.308 17.863 1.00 0.00 O ATOM 46 CB ASP A 4 -6.813 -22.711 20.388 1.00 0.00 C ATOM 47 CG ASP A 4 -6.604 -21.220 20.612 1.00 0.00 C ATOM 48 OD1 ASP A 4 -5.434 -20.837 20.829 1.00 0.00 O ATOM 49 OD2 ASP A 4 -7.619 -20.490 20.562 1.00 0.00 O ATOM 0 H ASP A 4 -4.351 -22.723 20.398 1.00 0.00 H new ATOM 0 HA ASP A 4 -6.349 -24.193 18.914 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -7.870 -22.912 20.213 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -6.528 -23.261 21.285 1.00 0.00 H new ATOM 54 N GLY A 5 -7.138 -22.561 17.151 1.00 0.00 N ATOM 55 CA GLY A 5 -7.389 -21.747 15.979 1.00 0.00 C ATOM 56 C GLY A 5 -8.881 -21.477 15.834 1.00 0.00 C ATOM 57 O GLY A 5 -9.707 -22.301 16.223 1.00 0.00 O ATOM 0 H GLY A 5 -7.769 -23.356 17.255 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -6.848 -20.804 16.060 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.016 -22.254 15.089 1.00 0.00 H new ATOM 61 N GLY A 6 -9.225 -20.317 15.270 1.00 0.00 N ATOM 62 CA GLY A 6 -10.612 -19.946 15.079 1.00 0.00 C ATOM 63 C GLY A 6 -10.850 -19.519 13.637 1.00 0.00 C ATOM 64 O GLY A 6 -9.959 -19.633 12.797 1.00 0.00 O ATOM 0 H GLY A 6 -8.554 -19.623 14.940 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -11.258 -20.788 15.328 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -10.874 -19.132 15.755 1.00 0.00 H new ATOM 68 N PRO A 7 -12.057 -19.025 13.353 1.00 0.00 N ATOM 69 CA PRO A 7 -12.463 -18.568 12.040 1.00 0.00 C ATOM 70 C PRO A 7 -11.770 -17.251 11.722 1.00 0.00 C ATOM 71 O PRO A 7 -11.562 -16.426 12.609 1.00 0.00 O ATOM 72 CB PRO A 7 -13.975 -18.381 12.142 1.00 0.00 C ATOM 73 CG PRO A 7 -14.173 -18.015 13.612 1.00 0.00 C ATOM 74 CD PRO A 7 -13.126 -18.876 14.315 1.00 0.00 C ATOM 0 HA PRO A 7 -12.199 -19.266 11.246 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -14.331 -17.593 11.478 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -14.514 -19.290 11.876 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -14.010 -16.952 13.790 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -15.182 -18.244 13.954 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -12.771 -18.399 15.228 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -13.538 -19.844 14.600 1.00 0.00 H new ATOM 82 N VAL A 8 -11.412 -17.055 10.451 1.00 0.00 N ATOM 83 CA VAL A 8 -10.745 -15.841 10.023 1.00 0.00 C ATOM 84 C VAL A 8 -11.776 -14.761 9.734 1.00 0.00 C ATOM 85 O VAL A 8 -12.846 -15.050 9.197 1.00 0.00 O ATOM 86 CB VAL A 8 -9.907 -16.135 8.781 1.00 0.00 C ATOM 87 CG1 VAL A 8 -9.227 -14.852 8.312 1.00 0.00 C ATOM 88 CG2 VAL A 8 -8.845 -17.178 9.120 1.00 0.00 C ATOM 0 H VAL A 8 -11.577 -17.729 9.704 1.00 0.00 H new ATOM 0 HA VAL A 8 -10.086 -15.484 10.815 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.552 -16.516 7.989 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -8.628 -15.061 7.425 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -9.984 -14.106 8.071 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -8.582 -14.472 9.104 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.246 -17.389 8.234 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.200 -16.797 9.912 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -9.330 -18.094 9.457 1.00 0.00 H new ATOM 98 N LEU A 9 -11.454 -13.517 10.090 1.00 0.00 N ATOM 99 CA LEU A 9 -12.358 -12.386 9.882 1.00 0.00 C ATOM 100 C LEU A 9 -12.631 -12.138 8.396 1.00 0.00 C ATOM 101 O LEU A 9 -11.914 -12.628 7.526 1.00 0.00 O ATOM 102 CB LEU A 9 -11.762 -11.128 10.520 1.00 0.00 C ATOM 103 CG LEU A 9 -12.792 -10.184 11.175 1.00 0.00 C ATOM 104 CD1 LEU A 9 -12.227 -9.535 12.435 1.00 0.00 C ATOM 105 CD2 LEU A 9 -13.250 -9.112 10.192 1.00 0.00 C ATOM 0 H LEU A 9 -10.567 -13.266 10.527 1.00 0.00 H new ATOM 0 HA LEU A 9 -13.310 -12.628 10.355 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.036 -11.430 11.275 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -11.217 -10.574 9.756 1.00 0.00 H new ATOM 0 HG LEU A 9 -13.654 -10.788 11.459 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -12.977 -8.876 12.872 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -11.960 -10.309 13.155 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -11.340 -8.956 12.179 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -13.976 -8.459 10.677 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.391 -8.523 9.869 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -13.711 -9.586 9.325 1.00 0.00 H new ATOM 117 N GLY A 10 -13.687 -11.368 8.116 1.00 0.00 N ATOM 118 CA GLY A 10 -14.061 -11.059 6.750 1.00 0.00 C ATOM 119 C GLY A 10 -13.156 -9.969 6.190 1.00 0.00 C ATOM 120 O GLY A 10 -13.026 -8.899 6.781 1.00 0.00 O ATOM 0 H GLY A 10 -14.292 -10.952 8.824 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -13.987 -11.955 6.134 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -15.100 -10.732 6.715 1.00 0.00 H new ATOM 124 N GLY A 11 -12.530 -10.246 5.044 1.00 0.00 N ATOM 125 CA GLY A 11 -11.643 -9.290 4.412 1.00 0.00 C ATOM 126 C GLY A 11 -12.411 -8.438 3.412 1.00 0.00 C ATOM 127 O GLY A 11 -13.601 -8.185 3.590 1.00 0.00 O ATOM 0 H GLY A 11 -12.627 -11.128 4.541 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -11.186 -8.652 5.169 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -10.833 -9.815 3.906 1.00 0.00 H new ATOM 131 N VAL A 12 -11.726 -7.995 2.354 1.00 0.00 N ATOM 132 CA VAL A 12 -12.343 -7.176 1.331 1.00 0.00 C ATOM 133 C VAL A 12 -13.242 -6.133 1.980 1.00 0.00 C ATOM 134 O VAL A 12 -14.452 -6.326 2.075 1.00 0.00 O ATOM 135 CB VAL A 12 -13.142 -8.065 0.382 1.00 0.00 C ATOM 136 CG1 VAL A 12 -13.962 -7.191 -0.563 1.00 0.00 C ATOM 137 CG2 VAL A 12 -12.185 -8.933 -0.428 1.00 0.00 C ATOM 0 H VAL A 12 -10.739 -8.196 2.192 1.00 0.00 H new ATOM 0 HA VAL A 12 -11.573 -6.658 0.759 1.00 0.00 H new ATOM 0 HB VAL A 12 -13.811 -8.704 0.958 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -14.533 -7.825 -1.241 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -14.646 -6.571 0.016 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -13.293 -6.552 -1.140 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -12.755 -9.568 -1.106 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.515 -8.295 -1.005 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -11.599 -9.557 0.247 1.00 0.00 H new ATOM 147 N GLU A 13 -12.647 -5.024 2.426 1.00 0.00 N ATOM 148 CA GLU A 13 -13.397 -3.959 3.061 1.00 0.00 C ATOM 149 C GLU A 13 -12.531 -2.713 3.180 1.00 0.00 C ATOM 150 O GLU A 13 -11.355 -2.801 3.526 1.00 0.00 O ATOM 151 CB GLU A 13 -13.871 -4.422 4.435 1.00 0.00 C ATOM 152 CG GLU A 13 -14.929 -3.457 4.960 1.00 0.00 C ATOM 153 CD GLU A 13 -15.288 -3.776 6.404 1.00 0.00 C ATOM 154 OE1 GLU A 13 -15.664 -4.942 6.651 1.00 0.00 O ATOM 155 OE2 GLU A 13 -15.180 -2.848 7.235 1.00 0.00 O ATOM 0 H GLU A 13 -11.645 -4.848 2.355 1.00 0.00 H new ATOM 0 HA GLU A 13 -14.268 -3.712 2.454 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -14.283 -5.429 4.369 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.029 -4.466 5.126 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -14.560 -2.434 4.891 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.822 -3.517 4.338 1.00 0.00 H new ATOM 162 N PRO A 14 -13.118 -1.549 2.892 1.00 0.00 N ATOM 163 CA PRO A 14 -12.455 -0.264 2.953 1.00 0.00 C ATOM 164 C PRO A 14 -12.229 0.127 4.406 1.00 0.00 C ATOM 165 O PRO A 14 -12.976 -0.295 5.287 1.00 0.00 O ATOM 166 CB PRO A 14 -13.415 0.705 2.267 1.00 0.00 C ATOM 167 CG PRO A 14 -14.782 0.089 2.559 1.00 0.00 C ATOM 168 CD PRO A 14 -14.498 -1.409 2.483 1.00 0.00 C ATOM 0 HA PRO A 14 -11.478 -0.268 2.470 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -13.331 1.713 2.672 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -13.223 0.775 1.196 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -15.156 0.381 3.540 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -15.530 0.397 1.828 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -15.163 -1.971 3.139 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -14.651 -1.789 1.473 1.00 0.00 H new ATOM 176 N VAL A 15 -11.196 0.934 4.656 1.00 0.00 N ATOM 177 CA VAL A 15 -10.877 1.375 5.999 1.00 0.00 C ATOM 178 C VAL A 15 -10.012 2.626 5.938 1.00 0.00 C ATOM 179 O VAL A 15 -10.002 3.329 4.929 1.00 0.00 O ATOM 180 CB VAL A 15 -10.157 0.255 6.744 1.00 0.00 C ATOM 181 CG1 VAL A 15 -8.716 0.159 6.251 1.00 0.00 C ATOM 182 CG2 VAL A 15 -10.164 0.556 8.240 1.00 0.00 C ATOM 0 H VAL A 15 -10.568 1.292 3.936 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.795 1.617 6.535 1.00 0.00 H new ATOM 0 HB VAL A 15 -10.666 -0.691 6.560 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.202 -0.641 6.783 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.711 -0.054 5.182 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.205 1.104 6.435 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.650 -0.243 8.774 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.654 1.502 8.423 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -11.193 0.625 8.593 1.00 0.00 H new ATOM 192 N GLY A 16 -9.284 2.904 7.022 1.00 0.00 N ATOM 193 CA GLY A 16 -8.421 4.067 7.081 1.00 0.00 C ATOM 194 C GLY A 16 -7.990 4.331 8.517 1.00 0.00 C ATOM 195 O GLY A 16 -7.536 3.424 9.210 1.00 0.00 O ATOM 0 H GLY A 16 -9.281 2.334 7.868 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.544 3.910 6.454 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.944 4.937 6.685 1.00 0.00 H new ATOM 199 N ASN A 17 -8.134 5.582 8.963 1.00 0.00 N ATOM 200 CA ASN A 17 -7.761 5.958 10.311 1.00 0.00 C ATOM 201 C ASN A 17 -6.260 5.790 10.500 1.00 0.00 C ATOM 202 O ASN A 17 -5.808 4.786 11.047 1.00 0.00 O ATOM 203 CB ASN A 17 -8.531 5.099 11.310 1.00 0.00 C ATOM 204 CG ASN A 17 -9.371 5.966 12.238 1.00 0.00 C ATOM 205 OD1 ASN A 17 -8.982 6.216 13.377 1.00 0.00 O ATOM 206 ND2 ASN A 17 -10.524 6.427 11.747 1.00 0.00 N ATOM 0 H ASN A 17 -8.508 6.347 8.401 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.012 7.005 10.481 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.176 4.401 10.775 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.833 4.502 11.897 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -11.125 7.015 12.324 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.803 6.191 10.795 1.00 0.00 H new ATOM 213 N GLU A 18 -5.487 6.778 10.046 1.00 0.00 N ATOM 214 CA GLU A 18 -4.043 6.734 10.169 1.00 0.00 C ATOM 215 C GLU A 18 -3.654 6.332 11.584 1.00 0.00 C ATOM 216 O GLU A 18 -2.564 5.810 11.808 1.00 0.00 O ATOM 217 CB GLU A 18 -3.463 8.101 9.816 1.00 0.00 C ATOM 218 CG GLU A 18 -3.940 9.134 10.832 1.00 0.00 C ATOM 219 CD GLU A 18 -3.444 10.525 10.466 1.00 0.00 C ATOM 220 OE1 GLU A 18 -4.059 11.127 9.559 1.00 0.00 O ATOM 221 OE2 GLU A 18 -2.459 10.961 11.100 1.00 0.00 O ATOM 0 H GLU A 18 -5.845 7.617 9.590 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.639 5.992 9.481 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.374 8.056 9.812 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.774 8.392 8.813 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.029 9.132 10.875 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.581 8.865 11.826 1.00 0.00 H new ATOM 228 N ASN A 19 -4.552 6.576 12.542 1.00 0.00 N ATOM 229 CA ASN A 19 -4.300 6.239 13.928 1.00 0.00 C ATOM 230 C ASN A 19 -3.663 4.859 14.018 1.00 0.00 C ATOM 231 O ASN A 19 -2.997 4.541 15.002 1.00 0.00 O ATOM 232 CB ASN A 19 -5.611 6.280 14.707 1.00 0.00 C ATOM 233 CG ASN A 19 -5.539 7.292 15.840 1.00 0.00 C ATOM 234 OD1 ASN A 19 -5.444 6.915 17.006 1.00 0.00 O ATOM 235 ND2 ASN A 19 -5.581 8.581 15.496 1.00 0.00 N ATOM 0 H ASN A 19 -5.461 7.008 12.373 1.00 0.00 H new ATOM 0 HA ASN A 19 -3.611 6.964 14.362 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -6.430 6.538 14.035 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.830 5.291 15.111 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -5.534 9.303 16.215 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -5.660 8.844 14.514 1.00 0.00 H new ATOM 242 N ASP A 20 -3.869 4.038 12.985 1.00 0.00 N ATOM 243 CA ASP A 20 -3.316 2.699 12.951 1.00 0.00 C ATOM 244 C ASP A 20 -1.891 2.744 12.419 1.00 0.00 C ATOM 245 O ASP A 20 -1.672 2.609 11.215 1.00 0.00 O ATOM 246 CB ASP A 20 -4.193 1.810 12.074 1.00 0.00 C ATOM 247 CG ASP A 20 -5.643 2.271 12.110 1.00 0.00 C ATOM 248 OD1 ASP A 20 -6.069 2.716 13.198 1.00 0.00 O ATOM 249 OD2 ASP A 20 -6.298 2.170 11.050 1.00 0.00 O ATOM 0 H ASP A 20 -4.418 4.287 12.162 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.294 2.284 13.959 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.826 1.830 11.048 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.127 0.777 12.416 1.00 0.00 H new ATOM 254 N LEU A 21 -0.923 2.934 13.317 1.00 0.00 N ATOM 255 CA LEU A 21 0.488 3.009 12.940 1.00 0.00 C ATOM 256 C LEU A 21 0.855 1.968 11.881 1.00 0.00 C ATOM 257 O LEU A 21 1.547 2.277 10.911 1.00 0.00 O ATOM 258 CB LEU A 21 1.362 2.819 14.183 1.00 0.00 C ATOM 259 CG LEU A 21 1.334 1.397 14.783 1.00 0.00 C ATOM 260 CD1 LEU A 21 2.609 0.629 14.448 1.00 0.00 C ATOM 261 CD2 LEU A 21 1.133 1.447 16.293 1.00 0.00 C ATOM 0 H LEU A 21 -1.093 3.039 14.317 1.00 0.00 H new ATOM 0 HA LEU A 21 0.665 3.993 12.506 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.392 3.070 13.928 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.041 3.527 14.947 1.00 0.00 H new ATOM 0 HG LEU A 21 0.491 0.871 14.336 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.558 -0.368 14.885 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.710 0.547 13.366 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.470 1.159 14.854 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.117 0.433 16.692 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.951 2.004 16.751 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.187 1.940 16.518 1.00 0.00 H new ATOM 273 N HIS A 22 0.384 0.733 12.085 1.00 0.00 N ATOM 274 CA HIS A 22 0.640 -0.372 11.159 1.00 0.00 C ATOM 275 C HIS A 22 0.246 0.026 9.725 1.00 0.00 C ATOM 276 O HIS A 22 1.078 -0.065 8.821 1.00 0.00 O ATOM 277 CB HIS A 22 -0.113 -1.629 11.608 1.00 0.00 C ATOM 278 CG HIS A 22 0.380 -2.880 10.947 1.00 0.00 C ATOM 279 ND1 HIS A 22 1.346 -3.693 11.502 1.00 0.00 N ATOM 280 CD2 HIS A 22 0.043 -3.452 9.766 1.00 0.00 C ATOM 281 CE1 HIS A 22 1.584 -4.710 10.691 1.00 0.00 C ATOM 282 NE2 HIS A 22 0.806 -4.588 9.633 1.00 0.00 N ATOM 0 H HIS A 22 -0.182 0.474 12.893 1.00 0.00 H new ATOM 0 HA HIS A 22 1.707 -0.595 11.166 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -0.018 -1.735 12.689 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -1.174 -1.506 11.392 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -0.688 -3.084 9.061 1.00 0.00 H new ATOM 0 HE1 HIS A 22 2.294 -5.505 10.865 1.00 0.00 H new ATOM 0 HE2 HIS A 22 0.775 -5.233 8.843 1.00 0.00 H new ATOM 291 N LEU A 23 -1.003 0.444 9.521 1.00 0.00 N ATOM 292 CA LEU A 23 -1.496 0.822 8.197 1.00 0.00 C ATOM 293 C LEU A 23 -0.552 1.800 7.492 1.00 0.00 C ATOM 294 O LEU A 23 -0.061 1.530 6.398 1.00 0.00 O ATOM 295 CB LEU A 23 -2.889 1.443 8.325 1.00 0.00 C ATOM 296 CG LEU A 23 -3.982 0.484 8.842 1.00 0.00 C ATOM 297 CD1 LEU A 23 -4.767 -0.134 7.690 1.00 0.00 C ATOM 298 CD2 LEU A 23 -3.376 -0.610 9.713 1.00 0.00 C ATOM 0 H LEU A 23 -1.697 0.530 10.263 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.546 -0.082 7.589 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.829 2.299 8.997 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.192 1.824 7.350 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.673 1.070 9.448 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.529 -0.804 8.087 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.245 0.656 7.110 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.089 -0.696 7.048 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.166 -1.273 10.066 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.655 -1.182 9.129 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.873 -0.158 10.568 1.00 0.00 H new ATOM 310 N VAL A 24 -0.307 2.945 8.135 1.00 0.00 N ATOM 311 CA VAL A 24 0.562 3.962 7.583 1.00 0.00 C ATOM 312 C VAL A 24 1.917 3.354 7.246 1.00 0.00 C ATOM 313 O VAL A 24 2.448 3.578 6.161 1.00 0.00 O ATOM 314 CB VAL A 24 0.715 5.100 8.587 1.00 0.00 C ATOM 315 CG1 VAL A 24 2.034 5.826 8.338 1.00 0.00 C ATOM 316 CG2 VAL A 24 -0.444 6.080 8.426 1.00 0.00 C ATOM 0 H VAL A 24 -0.706 3.182 9.043 1.00 0.00 H new ATOM 0 HA VAL A 24 0.126 4.360 6.667 1.00 0.00 H new ATOM 0 HB VAL A 24 0.710 4.694 9.599 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.143 6.639 9.056 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.862 5.126 8.454 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.041 6.232 7.326 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.335 6.893 9.143 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.440 6.485 7.414 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.386 5.562 8.605 1.00 0.00 H new ATOM 326 N ASP A 25 2.475 2.581 8.181 1.00 0.00 N ATOM 327 CA ASP A 25 3.761 1.946 7.979 1.00 0.00 C ATOM 328 C ASP A 25 3.833 1.363 6.576 1.00 0.00 C ATOM 329 O ASP A 25 4.853 1.497 5.898 1.00 0.00 O ATOM 330 CB ASP A 25 3.960 0.857 9.029 1.00 0.00 C ATOM 331 CG ASP A 25 5.387 0.328 9.000 1.00 0.00 C ATOM 332 OD1 ASP A 25 5.861 0.032 7.882 1.00 0.00 O ATOM 333 OD2 ASP A 25 5.978 0.229 10.098 1.00 0.00 O ATOM 0 H ASP A 25 2.047 2.385 9.086 1.00 0.00 H new ATOM 0 HA ASP A 25 4.556 2.684 8.085 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.736 1.255 10.019 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.261 0.040 8.848 1.00 0.00 H new ATOM 338 N LEU A 26 2.752 0.716 6.140 1.00 0.00 N ATOM 339 CA LEU A 26 2.691 0.098 4.816 1.00 0.00 C ATOM 340 C LEU A 26 2.882 1.123 3.696 1.00 0.00 C ATOM 341 O LEU A 26 3.750 0.973 2.839 1.00 0.00 O ATOM 342 CB LEU A 26 1.350 -0.619 4.644 1.00 0.00 C ATOM 343 CG LEU A 26 1.041 -1.682 5.719 1.00 0.00 C ATOM 344 CD1 LEU A 26 0.576 -2.991 5.086 1.00 0.00 C ATOM 345 CD2 LEU A 26 2.256 -1.930 6.605 1.00 0.00 C ATOM 0 H LEU A 26 1.900 0.606 6.690 1.00 0.00 H new ATOM 0 HA LEU A 26 3.508 -0.620 4.746 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.553 0.125 4.649 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.333 -1.097 3.665 1.00 0.00 H new ATOM 0 HG LEU A 26 0.232 -1.295 6.338 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.366 -3.720 5.869 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.329 -2.813 4.504 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.358 -3.377 4.432 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.012 -2.683 7.354 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.087 -2.282 5.993 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.539 -1.002 7.102 1.00 0.00 H new ATOM 357 N ALA A 27 2.053 2.169 3.712 1.00 0.00 N ATOM 358 CA ALA A 27 2.117 3.212 2.708 1.00 0.00 C ATOM 359 C ALA A 27 3.459 3.926 2.792 1.00 0.00 C ATOM 360 O ALA A 27 4.168 4.038 1.795 1.00 0.00 O ATOM 361 CB ALA A 27 0.968 4.193 2.921 1.00 0.00 C ATOM 0 H ALA A 27 1.329 2.309 4.417 1.00 0.00 H new ATOM 0 HA ALA A 27 2.023 2.773 1.715 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.015 4.978 2.166 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.018 3.665 2.836 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.049 4.638 3.913 1.00 0.00 H new ATOM 367 N ARG A 28 3.805 4.409 3.988 1.00 0.00 N ATOM 368 CA ARG A 28 5.057 5.109 4.195 1.00 0.00 C ATOM 369 C ARG A 28 6.222 4.203 3.825 1.00 0.00 C ATOM 370 O ARG A 28 7.283 4.683 3.430 1.00 0.00 O ATOM 371 CB ARG A 28 5.156 5.548 5.654 1.00 0.00 C ATOM 372 CG ARG A 28 4.550 6.939 5.809 1.00 0.00 C ATOM 373 CD ARG A 28 5.092 7.592 7.077 1.00 0.00 C ATOM 374 NE ARG A 28 5.963 8.722 6.755 1.00 0.00 N ATOM 375 CZ ARG A 28 6.880 9.199 7.608 1.00 0.00 C ATOM 376 NH1 ARG A 28 7.028 8.635 8.815 1.00 0.00 N ATOM 377 NH2 ARG A 28 7.649 10.238 7.255 1.00 0.00 N ATOM 0 H ARG A 28 3.228 4.323 4.825 1.00 0.00 H new ATOM 0 HA ARG A 28 5.094 5.993 3.558 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.633 4.838 6.295 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.198 5.556 5.972 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.791 7.551 4.940 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.463 6.870 5.859 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.263 7.933 7.697 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.646 6.857 7.661 1.00 0.00 H new ATOM 0 HE ARG A 28 5.868 9.166 5.842 1.00 0.00 H new ATOM 0 HH11 ARG A 28 6.443 7.844 9.083 1.00 0.00 H new ATOM 0 HH12 ARG A 28 7.726 8.997 9.465 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.537 10.667 6.336 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.347 10.600 7.905 1.00 0.00 H new ATOM 391 N PHE A 29 6.024 2.890 3.953 1.00 0.00 N ATOM 392 CA PHE A 29 7.058 1.926 3.630 1.00 0.00 C ATOM 393 C PHE A 29 7.318 1.931 2.131 1.00 0.00 C ATOM 394 O PHE A 29 8.463 2.035 1.697 1.00 0.00 O ATOM 395 CB PHE A 29 6.625 0.541 4.101 1.00 0.00 C ATOM 396 CG PHE A 29 7.210 -0.584 3.281 1.00 0.00 C ATOM 397 CD1 PHE A 29 8.565 -0.562 2.929 1.00 0.00 C ATOM 398 CD2 PHE A 29 6.399 -1.650 2.876 1.00 0.00 C ATOM 399 CE1 PHE A 29 9.108 -1.607 2.171 1.00 0.00 C ATOM 400 CE2 PHE A 29 6.942 -2.695 2.118 1.00 0.00 C ATOM 401 CZ PHE A 29 8.296 -2.673 1.766 1.00 0.00 C ATOM 0 H PHE A 29 5.151 2.476 4.280 1.00 0.00 H new ATOM 0 HA PHE A 29 7.984 2.195 4.139 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.919 0.412 5.143 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.537 0.478 4.067 1.00 0.00 H new ATOM 0 HD1 PHE A 29 9.191 0.260 3.242 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.354 -1.667 3.148 1.00 0.00 H new ATOM 0 HE1 PHE A 29 10.153 -1.590 1.899 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.316 -3.518 1.805 1.00 0.00 H new ATOM 0 HZ PHE A 29 8.715 -3.479 1.182 1.00 0.00 H new ATOM 411 N ALA A 30 6.249 1.817 1.338 1.00 0.00 N ATOM 412 CA ALA A 30 6.366 1.807 -0.106 1.00 0.00 C ATOM 413 C ALA A 30 7.239 2.968 -0.561 1.00 0.00 C ATOM 414 O ALA A 30 8.337 2.759 -1.073 1.00 0.00 O ATOM 415 CB ALA A 30 4.976 1.898 -0.729 1.00 0.00 C ATOM 0 H ALA A 30 5.293 1.731 1.682 1.00 0.00 H new ATOM 0 HA ALA A 30 6.835 0.878 -0.430 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.063 1.891 -1.815 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.377 1.046 -0.407 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.494 2.822 -0.410 1.00 0.00 H new ATOM 421 N VAL A 31 6.749 4.195 -0.371 1.00 0.00 N ATOM 422 CA VAL A 31 7.484 5.381 -0.762 1.00 0.00 C ATOM 423 C VAL A 31 8.960 5.202 -0.437 1.00 0.00 C ATOM 424 O VAL A 31 9.822 5.556 -1.238 1.00 0.00 O ATOM 425 CB VAL A 31 6.913 6.595 -0.033 1.00 0.00 C ATOM 426 CG1 VAL A 31 7.333 7.868 -0.760 1.00 0.00 C ATOM 427 CG2 VAL A 31 5.390 6.503 -0.007 1.00 0.00 C ATOM 0 H VAL A 31 5.841 4.385 0.054 1.00 0.00 H new ATOM 0 HA VAL A 31 7.385 5.539 -1.836 1.00 0.00 H new ATOM 0 HB VAL A 31 7.293 6.617 0.988 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.926 8.735 -0.240 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.421 7.934 -0.779 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.953 7.846 -1.781 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.982 7.369 0.513 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.009 6.481 -1.028 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.089 5.593 0.512 1.00 0.00 H new ATOM 437 N THR A 32 9.251 4.649 0.742 1.00 0.00 N ATOM 438 CA THR A 32 10.620 4.427 1.161 1.00 0.00 C ATOM 439 C THR A 32 11.276 3.388 0.263 1.00 0.00 C ATOM 440 O THR A 32 12.242 3.685 -0.435 1.00 0.00 O ATOM 441 CB THR A 32 10.637 3.970 2.617 1.00 0.00 C ATOM 442 OG1 THR A 32 10.443 5.082 3.461 1.00 0.00 O ATOM 443 CG2 THR A 32 11.983 3.322 2.931 1.00 0.00 C ATOM 0 H THR A 32 8.549 4.349 1.419 1.00 0.00 H new ATOM 0 HA THR A 32 11.184 5.356 1.077 1.00 0.00 H new ATOM 0 HB THR A 32 9.838 3.246 2.780 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.485 5.202 3.629 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.996 2.995 3.971 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.134 2.462 2.279 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.782 4.045 2.768 1.00 0.00 H new ATOM 451 N GLU A 33 10.744 2.163 0.282 1.00 0.00 N ATOM 452 CA GLU A 33 11.278 1.088 -0.531 1.00 0.00 C ATOM 453 C GLU A 33 11.595 1.601 -1.928 1.00 0.00 C ATOM 454 O GLU A 33 12.724 1.458 -2.396 1.00 0.00 O ATOM 455 CB GLU A 33 10.267 -0.053 -0.589 1.00 0.00 C ATOM 456 CG GLU A 33 10.822 -1.180 -1.455 1.00 0.00 C ATOM 457 CD GLU A 33 11.831 -2.016 -0.680 1.00 0.00 C ATOM 458 OE1 GLU A 33 11.374 -2.914 0.060 1.00 0.00 O ATOM 459 OE2 GLU A 33 13.039 -1.740 -0.840 1.00 0.00 O ATOM 0 H GLU A 33 9.943 1.899 0.855 1.00 0.00 H new ATOM 0 HA GLU A 33 12.202 0.717 -0.087 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.059 -0.421 0.416 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.322 0.304 -0.999 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.006 -1.815 -1.799 1.00 0.00 H new ATOM 0 HG3 GLU A 33 11.296 -0.762 -2.343 1.00 0.00 H new ATOM 466 N HIS A 34 10.595 2.198 -2.585 1.00 0.00 N ATOM 467 CA HIS A 34 10.757 2.752 -3.931 1.00 0.00 C ATOM 468 C HIS A 34 11.945 3.731 -3.971 1.00 0.00 C ATOM 469 O HIS A 34 12.812 3.597 -4.831 1.00 0.00 O ATOM 470 CB HIS A 34 9.462 3.437 -4.385 1.00 0.00 C ATOM 471 CG HIS A 34 9.448 3.763 -5.847 1.00 0.00 C ATOM 472 ND1 HIS A 34 10.406 4.287 -6.649 1.00 0.00 N flip ATOM 473 CD2 HIS A 34 8.353 3.541 -6.656 1.00 0.00 C flip ATOM 474 CE1 HIS A 34 9.874 4.371 -7.914 1.00 0.00 C flip ATOM 475 NE2 HIS A 34 8.637 3.914 -7.892 1.00 0.00 N flip ATOM 0 H HIS A 34 9.657 2.310 -2.201 1.00 0.00 H new ATOM 0 HA HIS A 34 10.969 1.937 -4.622 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.616 2.789 -4.156 1.00 0.00 H new ATOM 0 HB3 HIS A 34 9.324 4.355 -3.813 1.00 0.00 H new ATOM 0 HD2 HIS A 34 7.410 3.127 -6.330 1.00 0.00 H new ATOM 0 HE1 HIS A 34 10.387 4.750 -8.786 1.00 0.00 H new ATOM 0 HE2 HIS A 34 8.007 3.858 -8.692 1.00 0.00 H new ATOM 484 N ASN A 35 11.969 4.708 -3.062 1.00 0.00 N ATOM 485 CA ASN A 35 13.036 5.689 -3.024 1.00 0.00 C ATOM 486 C ASN A 35 14.378 4.989 -2.866 1.00 0.00 C ATOM 487 O ASN A 35 15.421 5.557 -3.183 1.00 0.00 O ATOM 488 CB ASN A 35 12.793 6.659 -1.871 1.00 0.00 C ATOM 489 CG ASN A 35 11.510 7.447 -2.086 1.00 0.00 C ATOM 490 OD1 ASN A 35 10.889 7.276 -3.256 1.00 0.00 O flip ATOM 491 ND2 ASN A 35 11.087 8.198 -1.210 1.00 0.00 N flip ATOM 0 H ASN A 35 11.256 4.834 -2.344 1.00 0.00 H new ATOM 0 HA ASN A 35 13.051 6.251 -3.958 1.00 0.00 H new ATOM 0 HB2 ASN A 35 12.733 6.107 -0.933 1.00 0.00 H new ATOM 0 HB3 ASN A 35 13.636 7.345 -1.784 1.00 0.00 H new ATOM 0 HD21 ASN A 35 11.597 8.296 -0.332 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.226 8.724 -1.361 1.00 0.00 H new ATOM 498 N LYS A 36 14.350 3.748 -2.373 1.00 0.00 N ATOM 499 CA LYS A 36 15.562 2.978 -2.176 1.00 0.00 C ATOM 500 C LYS A 36 16.152 2.588 -3.524 1.00 0.00 C ATOM 501 O LYS A 36 17.315 2.873 -3.802 1.00 0.00 O ATOM 502 CB LYS A 36 15.244 1.737 -1.346 1.00 0.00 C ATOM 503 CG LYS A 36 16.383 1.479 -0.363 1.00 0.00 C ATOM 504 CD LYS A 36 16.224 2.391 0.851 1.00 0.00 C ATOM 505 CE LYS A 36 16.589 1.620 2.117 1.00 0.00 C ATOM 506 NZ LYS A 36 15.944 2.211 3.299 1.00 0.00 N ATOM 0 H LYS A 36 13.494 3.262 -2.105 1.00 0.00 H new ATOM 0 HA LYS A 36 16.297 3.580 -1.642 1.00 0.00 H new ATOM 0 HB2 LYS A 36 14.308 1.877 -0.806 1.00 0.00 H new ATOM 0 HB3 LYS A 36 15.110 0.874 -1.998 1.00 0.00 H new ATOM 0 HG2 LYS A 36 16.378 0.435 -0.050 1.00 0.00 H new ATOM 0 HG3 LYS A 36 17.343 1.662 -0.846 1.00 0.00 H new ATOM 0 HD2 LYS A 36 16.865 3.267 0.748 1.00 0.00 H new ATOM 0 HD3 LYS A 36 15.198 2.753 0.916 1.00 0.00 H new ATOM 0 HE2 LYS A 36 16.283 0.579 2.014 1.00 0.00 H new ATOM 0 HE3 LYS A 36 17.671 1.623 2.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 16.208 1.669 4.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 16.256 3.197 3.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 14.911 2.186 3.180 1.00 0.00 H new ATOM 520 N LYS A 37 15.346 1.933 -4.362 1.00 0.00 N ATOM 521 CA LYS A 37 15.792 1.508 -5.674 1.00 0.00 C ATOM 522 C LYS A 37 15.640 2.651 -6.668 1.00 0.00 C ATOM 523 O LYS A 37 16.000 2.514 -7.835 1.00 0.00 O ATOM 524 CB LYS A 37 14.978 0.296 -6.118 1.00 0.00 C ATOM 525 CG LYS A 37 15.577 -0.275 -7.402 1.00 0.00 C ATOM 526 CD LYS A 37 14.552 -0.173 -8.529 1.00 0.00 C ATOM 527 CE LYS A 37 15.033 -0.987 -9.726 1.00 0.00 C ATOM 528 NZ LYS A 37 13.905 -1.366 -10.593 1.00 0.00 N ATOM 0 H LYS A 37 14.379 1.689 -4.147 1.00 0.00 H new ATOM 0 HA LYS A 37 16.845 1.229 -5.631 1.00 0.00 H new ATOM 0 HB2 LYS A 37 14.978 -0.462 -5.335 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.940 0.583 -6.284 1.00 0.00 H new ATOM 0 HG2 LYS A 37 16.482 0.271 -7.668 1.00 0.00 H new ATOM 0 HG3 LYS A 37 15.865 -1.315 -7.251 1.00 0.00 H new ATOM 0 HD2 LYS A 37 13.584 -0.542 -8.190 1.00 0.00 H new ATOM 0 HD3 LYS A 37 14.413 0.869 -8.816 1.00 0.00 H new ATOM 0 HE2 LYS A 37 15.757 -0.407 -10.298 1.00 0.00 H new ATOM 0 HE3 LYS A 37 15.546 -1.883 -9.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 14.258 -1.919 -11.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.227 -1.939 -10.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.432 -0.508 -10.942 1.00 0.00 H new ATOM 542 N ALA A 38 15.106 3.782 -6.201 1.00 0.00 N ATOM 543 CA ALA A 38 14.908 4.941 -7.047 1.00 0.00 C ATOM 544 C ALA A 38 15.627 6.143 -6.451 1.00 0.00 C ATOM 545 O ALA A 38 15.358 7.281 -6.830 1.00 0.00 O ATOM 546 CB ALA A 38 13.414 5.219 -7.188 1.00 0.00 C ATOM 0 H ALA A 38 14.804 3.911 -5.235 1.00 0.00 H new ATOM 0 HA ALA A 38 15.322 4.749 -8.037 1.00 0.00 H new ATOM 0 HB1 ALA A 38 13.265 6.091 -7.825 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.924 4.355 -7.636 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.985 5.410 -6.204 1.00 0.00 H new ATOM 552 N ASN A 39 16.543 5.888 -5.513 1.00 0.00 N ATOM 553 CA ASN A 39 17.293 6.949 -4.871 1.00 0.00 C ATOM 554 C ASN A 39 16.367 8.109 -4.536 1.00 0.00 C ATOM 555 O ASN A 39 16.776 9.267 -4.577 1.00 0.00 O ATOM 556 CB ASN A 39 18.418 7.404 -5.795 1.00 0.00 C ATOM 557 CG ASN A 39 19.778 7.083 -5.194 1.00 0.00 C ATOM 558 OD1 ASN A 39 20.134 7.608 -4.141 1.00 0.00 O ATOM 559 ND2 ASN A 39 20.541 6.216 -5.865 1.00 0.00 N ATOM 0 H ASN A 39 16.777 4.950 -5.187 1.00 0.00 H new ATOM 0 HA ASN A 39 17.728 6.581 -3.942 1.00 0.00 H new ATOM 0 HB2 ASN A 39 18.319 6.914 -6.763 1.00 0.00 H new ATOM 0 HB3 ASN A 39 18.338 8.477 -5.971 1.00 0.00 H new ATOM 0 HD21 ASN A 39 21.462 5.964 -5.507 1.00 0.00 H new ATOM 0 HD22 ASN A 39 20.202 5.806 -6.735 1.00 0.00 H new ATOM 566 N SER A 40 15.113 7.795 -4.202 1.00 0.00 N ATOM 567 CA SER A 40 14.137 8.811 -3.861 1.00 0.00 C ATOM 568 C SER A 40 13.729 9.577 -5.112 1.00 0.00 C ATOM 569 O SER A 40 14.520 9.709 -6.046 1.00 0.00 O ATOM 570 CB SER A 40 14.729 9.754 -2.818 1.00 0.00 C ATOM 571 OG SER A 40 15.560 9.024 -1.943 1.00 0.00 O ATOM 0 H SER A 40 14.757 6.840 -4.163 1.00 0.00 H new ATOM 0 HA SER A 40 13.248 8.340 -3.443 1.00 0.00 H new ATOM 0 HB2 SER A 40 15.301 10.542 -3.308 1.00 0.00 H new ATOM 0 HB3 SER A 40 13.931 10.241 -2.257 1.00 0.00 H new ATOM 0 HG SER A 40 15.942 9.629 -1.274 1.00 0.00 H new ATOM 577 N LEU A 41 12.495 10.080 -5.127 1.00 0.00 N ATOM 578 CA LEU A 41 11.969 10.828 -6.268 1.00 0.00 C ATOM 579 C LEU A 41 10.771 11.698 -5.880 1.00 0.00 C ATOM 580 O LEU A 41 10.462 12.685 -6.551 1.00 0.00 O ATOM 581 CB LEU A 41 11.569 9.855 -7.380 1.00 0.00 C ATOM 582 CG LEU A 41 10.087 9.426 -7.363 1.00 0.00 C ATOM 583 CD1 LEU A 41 9.655 8.871 -8.717 1.00 0.00 C ATOM 584 CD2 LEU A 41 9.830 8.398 -6.268 1.00 0.00 C ATOM 0 H LEU A 41 11.836 9.982 -4.355 1.00 0.00 H new ATOM 0 HA LEU A 41 12.756 11.494 -6.622 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.788 10.316 -8.343 1.00 0.00 H new ATOM 0 HB3 LEU A 41 12.192 8.963 -7.305 1.00 0.00 H new ATOM 0 HG LEU A 41 9.492 10.315 -7.153 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.606 8.578 -8.672 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.785 9.636 -9.482 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.264 8.002 -8.965 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.778 8.112 -6.277 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.447 7.517 -6.444 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.081 8.829 -5.299 1.00 0.00 H new ATOM 596 N LEU A 42 10.101 11.318 -4.793 1.00 0.00 N ATOM 597 CA LEU A 42 8.924 12.040 -4.308 1.00 0.00 C ATOM 598 C LEU A 42 9.017 12.346 -2.811 1.00 0.00 C ATOM 599 O LEU A 42 9.951 11.924 -2.133 1.00 0.00 O ATOM 600 CB LEU A 42 7.664 11.220 -4.597 1.00 0.00 C ATOM 601 CG LEU A 42 7.410 10.055 -3.616 1.00 0.00 C ATOM 602 CD1 LEU A 42 8.681 9.242 -3.380 1.00 0.00 C ATOM 603 CD2 LEU A 42 6.862 10.569 -2.290 1.00 0.00 C ATOM 0 H LEU A 42 10.355 10.508 -4.227 1.00 0.00 H new ATOM 0 HA LEU A 42 8.876 12.993 -4.834 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.802 11.886 -4.578 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.734 10.817 -5.607 1.00 0.00 H new ATOM 0 HG LEU A 42 6.666 9.401 -4.071 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.469 8.429 -2.685 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.029 8.829 -4.326 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.453 9.887 -2.960 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.692 9.729 -1.617 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.581 11.254 -1.841 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.921 11.092 -2.463 1.00 0.00 H new ATOM 615 N GLU A 43 8.034 13.093 -2.305 1.00 0.00 N ATOM 616 CA GLU A 43 7.999 13.460 -0.904 1.00 0.00 C ATOM 617 C GLU A 43 6.620 13.176 -0.326 1.00 0.00 C ATOM 618 O GLU A 43 5.717 14.003 -0.427 1.00 0.00 O ATOM 619 CB GLU A 43 8.352 14.938 -0.759 1.00 0.00 C ATOM 620 CG GLU A 43 8.991 15.177 0.606 1.00 0.00 C ATOM 621 CD GLU A 43 8.875 16.639 1.013 1.00 0.00 C ATOM 622 OE1 GLU A 43 9.726 17.426 0.545 1.00 0.00 O ATOM 623 OE2 GLU A 43 7.938 16.941 1.782 1.00 0.00 O ATOM 0 H GLU A 43 7.253 13.453 -2.854 1.00 0.00 H new ATOM 0 HA GLU A 43 8.729 12.868 -0.352 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.038 15.238 -1.551 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.456 15.549 -0.865 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.507 14.548 1.353 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.041 14.886 0.576 1.00 0.00 H new ATOM 630 N PHE A 44 6.460 11.999 0.284 1.00 0.00 N ATOM 631 CA PHE A 44 5.195 11.612 0.876 1.00 0.00 C ATOM 632 C PHE A 44 4.635 12.765 1.698 1.00 0.00 C ATOM 633 O PHE A 44 5.355 13.377 2.485 1.00 0.00 O ATOM 634 CB PHE A 44 5.400 10.376 1.746 1.00 0.00 C ATOM 635 CG PHE A 44 4.211 10.048 2.616 1.00 0.00 C ATOM 636 CD1 PHE A 44 4.042 10.697 3.846 1.00 0.00 C ATOM 637 CD2 PHE A 44 3.277 9.092 2.197 1.00 0.00 C ATOM 638 CE1 PHE A 44 2.940 10.392 4.654 1.00 0.00 C ATOM 639 CE2 PHE A 44 2.175 8.787 3.004 1.00 0.00 C ATOM 640 CZ PHE A 44 2.007 9.437 4.233 1.00 0.00 C ATOM 0 H PHE A 44 7.198 11.301 0.376 1.00 0.00 H new ATOM 0 HA PHE A 44 4.479 11.372 0.090 1.00 0.00 H new ATOM 0 HB2 PHE A 44 5.617 9.522 1.105 1.00 0.00 H new ATOM 0 HB3 PHE A 44 6.273 10.529 2.380 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.762 11.433 4.171 1.00 0.00 H new ATOM 0 HD2 PHE A 44 3.407 8.590 1.250 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.810 10.893 5.602 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.455 8.051 2.679 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.157 9.201 4.856 1.00 0.00 H new ATOM 650 N GLU A 45 3.346 13.059 1.514 1.00 0.00 N ATOM 651 CA GLU A 45 2.699 14.134 2.240 1.00 0.00 C ATOM 652 C GLU A 45 1.899 13.567 3.404 1.00 0.00 C ATOM 653 O GLU A 45 2.018 14.038 4.532 1.00 0.00 O ATOM 654 CB GLU A 45 1.794 14.913 1.291 1.00 0.00 C ATOM 655 CG GLU A 45 2.585 15.319 0.051 1.00 0.00 C ATOM 656 CD GLU A 45 2.390 16.795 -0.260 1.00 0.00 C ATOM 657 OE1 GLU A 45 2.750 17.612 0.614 1.00 0.00 O ATOM 658 OE2 GLU A 45 1.884 17.080 -1.367 1.00 0.00 O ATOM 0 H GLU A 45 2.736 12.562 0.865 1.00 0.00 H new ATOM 0 HA GLU A 45 3.453 14.811 2.642 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.938 14.302 1.005 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.401 15.798 1.791 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.644 15.113 0.207 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.266 14.719 -0.801 1.00 0.00 H new ATOM 665 N LYS A 46 1.081 12.549 3.126 1.00 0.00 N ATOM 666 CA LYS A 46 0.267 11.922 4.148 1.00 0.00 C ATOM 667 C LYS A 46 -0.527 10.772 3.545 1.00 0.00 C ATOM 668 O LYS A 46 -0.308 10.401 2.392 1.00 0.00 O ATOM 669 CB LYS A 46 -0.668 12.962 4.760 1.00 0.00 C ATOM 670 CG LYS A 46 -1.632 13.469 3.692 1.00 0.00 C ATOM 671 CD LYS A 46 -2.637 14.427 4.327 1.00 0.00 C ATOM 672 CE LYS A 46 -4.017 14.194 3.718 1.00 0.00 C ATOM 673 NZ LYS A 46 -4.711 13.086 4.391 1.00 0.00 N ATOM 0 H LYS A 46 0.971 12.146 2.195 1.00 0.00 H new ATOM 0 HA LYS A 46 0.908 11.521 4.933 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.224 12.524 5.589 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.090 13.792 5.167 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.080 13.976 2.900 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.154 12.631 3.231 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.673 14.271 5.405 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.325 15.459 4.164 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.612 15.103 3.799 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.917 13.973 2.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.666 12.981 3.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.178 12.205 4.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.781 13.287 5.409 1.00 0.00 H new ATOM 687 N LEU A 47 -1.447 10.209 4.329 1.00 0.00 N ATOM 688 CA LEU A 47 -2.273 9.087 3.881 1.00 0.00 C ATOM 689 C LEU A 47 -3.763 9.440 3.874 1.00 0.00 C ATOM 690 O LEU A 47 -4.253 10.141 4.756 1.00 0.00 O ATOM 691 CB LEU A 47 -2.027 7.876 4.785 1.00 0.00 C ATOM 692 CG LEU A 47 -3.198 6.873 4.856 1.00 0.00 C ATOM 693 CD1 LEU A 47 -3.229 5.969 3.627 1.00 0.00 C ATOM 694 CD2 LEU A 47 -3.117 6.032 6.125 1.00 0.00 C ATOM 0 H LEU A 47 -1.640 10.514 5.283 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.988 8.850 2.856 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.139 7.352 4.433 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.809 8.231 5.792 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.122 7.450 4.878 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.065 5.274 3.707 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.348 6.578 2.731 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.296 5.409 3.564 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.953 5.333 6.152 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.179 5.477 6.134 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.161 6.684 6.997 1.00 0.00 H new ATOM 706 N VAL A 48 -4.476 8.944 2.861 1.00 0.00 N ATOM 707 CA VAL A 48 -5.896 9.202 2.726 1.00 0.00 C ATOM 708 C VAL A 48 -6.687 8.064 3.356 1.00 0.00 C ATOM 709 O VAL A 48 -7.431 8.278 4.312 1.00 0.00 O ATOM 710 CB VAL A 48 -6.247 9.352 1.249 1.00 0.00 C ATOM 711 CG1 VAL A 48 -7.558 10.120 1.114 1.00 0.00 C ATOM 712 CG2 VAL A 48 -5.134 10.116 0.537 1.00 0.00 C ATOM 0 H VAL A 48 -4.084 8.360 2.123 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.153 10.127 3.242 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.356 8.365 0.799 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.810 10.228 0.059 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.353 9.575 1.623 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.449 11.107 1.564 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.384 10.224 -0.518 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.025 11.103 0.987 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.197 9.568 0.634 1.00 0.00 H new ATOM 722 N SER A 49 -6.526 6.854 2.818 1.00 0.00 N ATOM 723 CA SER A 49 -7.224 5.691 3.330 1.00 0.00 C ATOM 724 C SER A 49 -6.520 4.422 2.871 1.00 0.00 C ATOM 725 O SER A 49 -5.459 4.485 2.254 1.00 0.00 O ATOM 726 CB SER A 49 -8.671 5.714 2.848 1.00 0.00 C ATOM 727 OG SER A 49 -9.468 6.406 3.782 1.00 0.00 O ATOM 0 H SER A 49 -5.914 6.661 2.025 1.00 0.00 H new ATOM 0 HA SER A 49 -7.219 5.710 4.420 1.00 0.00 H new ATOM 0 HB2 SER A 49 -8.733 6.197 1.873 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.040 4.696 2.723 1.00 0.00 H new ATOM 0 HG SER A 49 -8.962 7.161 4.148 1.00 0.00 H new ATOM 733 N VAL A 50 -7.118 3.266 3.171 1.00 0.00 N ATOM 734 CA VAL A 50 -6.550 1.989 2.788 1.00 0.00 C ATOM 735 C VAL A 50 -7.630 0.918 2.811 1.00 0.00 C ATOM 736 O VAL A 50 -8.675 1.099 3.433 1.00 0.00 O ATOM 737 CB VAL A 50 -5.413 1.632 3.742 1.00 0.00 C ATOM 738 CG1 VAL A 50 -5.907 1.733 5.183 1.00 0.00 C ATOM 739 CG2 VAL A 50 -4.945 0.207 3.464 1.00 0.00 C ATOM 0 H VAL A 50 -7.999 3.198 3.680 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.150 2.052 1.776 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.583 2.323 3.593 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.095 1.478 5.865 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.242 2.751 5.382 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.737 1.042 5.332 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.133 -0.049 4.145 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.775 -0.484 3.613 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.592 0.134 2.435 1.00 0.00 H new ATOM 749 N LYS A 51 -7.377 -0.202 2.130 1.00 0.00 N ATOM 750 CA LYS A 51 -8.328 -1.295 2.077 1.00 0.00 C ATOM 751 C LYS A 51 -7.687 -2.566 2.615 1.00 0.00 C ATOM 752 O LYS A 51 -6.516 -2.565 2.988 1.00 0.00 O ATOM 753 CB LYS A 51 -8.794 -1.492 0.637 1.00 0.00 C ATOM 754 CG LYS A 51 -9.580 -0.265 0.184 1.00 0.00 C ATOM 755 CD LYS A 51 -10.466 -0.636 -1.001 1.00 0.00 C ATOM 756 CE LYS A 51 -11.874 -0.097 -0.773 1.00 0.00 C ATOM 757 NZ LYS A 51 -12.881 -1.153 -0.957 1.00 0.00 N ATOM 0 H LYS A 51 -6.516 -0.368 1.609 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.193 -1.059 2.697 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.935 -1.649 -0.016 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.417 -2.383 0.564 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.191 0.112 1.004 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.895 0.535 -0.097 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.052 -0.224 -1.921 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.495 -1.719 -1.122 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.951 0.312 0.234 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.070 0.722 -1.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.830 -0.759 -0.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.820 -1.525 -1.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.706 -1.922 -0.279 1.00 0.00 H new ATOM 771 N GLN A 52 -8.460 -3.653 2.655 1.00 0.00 N ATOM 772 CA GLN A 52 -7.966 -4.924 3.147 1.00 0.00 C ATOM 773 C GLN A 52 -8.628 -6.065 2.389 1.00 0.00 C ATOM 774 O GLN A 52 -9.853 -6.128 2.300 1.00 0.00 O ATOM 775 CB GLN A 52 -8.250 -5.032 4.643 1.00 0.00 C ATOM 776 CG GLN A 52 -9.690 -4.613 4.920 1.00 0.00 C ATOM 777 CD GLN A 52 -10.230 -5.313 6.160 1.00 0.00 C ATOM 778 OE1 GLN A 52 -11.440 -5.350 6.376 1.00 0.00 O ATOM 779 NE2 GLN A 52 -9.329 -5.867 6.974 1.00 0.00 N ATOM 0 H GLN A 52 -9.433 -3.670 2.350 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.890 -4.987 2.988 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.086 -6.055 4.982 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.562 -4.397 5.201 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.739 -3.533 5.057 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.315 -4.854 4.060 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.336 -5.809 6.750 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -9.634 -6.349 7.820 1.00 0.00 H new ATOM 788 N GLN A 53 -7.814 -6.970 1.840 1.00 0.00 N ATOM 789 CA GLN A 53 -8.324 -8.102 1.093 1.00 0.00 C ATOM 790 C GLN A 53 -7.748 -9.394 1.654 1.00 0.00 C ATOM 791 O GLN A 53 -6.607 -9.421 2.110 1.00 0.00 O ATOM 792 CB GLN A 53 -7.959 -7.942 -0.381 1.00 0.00 C ATOM 793 CG GLN A 53 -8.479 -9.142 -1.168 1.00 0.00 C ATOM 794 CD GLN A 53 -7.642 -9.376 -2.416 1.00 0.00 C ATOM 795 OE1 GLN A 53 -6.365 -9.716 -2.226 1.00 0.00 O flip ATOM 796 NE2 GLN A 53 -8.142 -9.253 -3.533 1.00 0.00 N flip ATOM 0 H GLN A 53 -6.797 -6.933 1.904 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.409 -8.143 1.184 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -8.389 -7.021 -0.775 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.878 -7.862 -0.492 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -8.458 -10.032 -0.539 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.519 -8.975 -1.449 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -9.123 -8.991 -3.626 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.575 -9.413 -4.366 1.00 0.00 H new ATOM 805 N VAL A 54 -8.541 -10.468 1.620 1.00 0.00 N ATOM 806 CA VAL A 54 -8.107 -11.755 2.123 1.00 0.00 C ATOM 807 C VAL A 54 -7.901 -12.719 0.962 1.00 0.00 C ATOM 808 O VAL A 54 -8.810 -12.933 0.163 1.00 0.00 O ATOM 809 CB VAL A 54 -9.149 -12.296 3.097 1.00 0.00 C ATOM 810 CG1 VAL A 54 -10.539 -12.163 2.481 1.00 0.00 C ATOM 811 CG2 VAL A 54 -8.860 -13.767 3.385 1.00 0.00 C ATOM 0 H VAL A 54 -9.490 -10.462 1.246 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.159 -11.644 2.650 1.00 0.00 H new ATOM 0 HB VAL A 54 -9.107 -11.728 4.026 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -11.284 -12.550 3.177 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -10.746 -11.113 2.274 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -10.581 -12.731 1.552 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -9.604 -14.155 4.081 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.902 -14.335 2.456 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.867 -13.863 3.824 1.00 0.00 H new ATOM 821 N VAL A 55 -6.703 -13.299 0.872 1.00 0.00 N ATOM 822 CA VAL A 55 -6.385 -14.236 -0.187 1.00 0.00 C ATOM 823 C VAL A 55 -5.277 -15.174 0.271 1.00 0.00 C ATOM 824 O VAL A 55 -5.443 -15.906 1.244 1.00 0.00 O ATOM 825 CB VAL A 55 -5.959 -13.466 -1.435 1.00 0.00 C ATOM 826 CG1 VAL A 55 -7.058 -12.479 -1.822 1.00 0.00 C ATOM 827 CG2 VAL A 55 -4.670 -12.703 -1.146 1.00 0.00 C ATOM 0 H VAL A 55 -5.939 -13.130 1.527 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.265 -14.833 -0.426 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.792 -14.165 -2.255 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.755 -11.928 -2.713 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.980 -13.023 -2.027 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.224 -11.780 -1.002 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.365 -12.153 -2.036 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.837 -12.003 -0.327 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.885 -13.407 -0.868 1.00 0.00 H new ATOM 837 N ALA A 56 -4.142 -15.150 -0.433 1.00 0.00 N ATOM 838 CA ALA A 56 -3.016 -15.996 -0.097 1.00 0.00 C ATOM 839 C ALA A 56 -2.248 -15.393 1.070 1.00 0.00 C ATOM 840 O ALA A 56 -1.098 -15.753 1.314 1.00 0.00 O ATOM 841 CB ALA A 56 -2.113 -16.149 -1.317 1.00 0.00 C ATOM 0 H ALA A 56 -3.988 -14.547 -1.241 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.373 -16.982 0.200 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.265 -16.786 -1.065 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.677 -16.602 -2.133 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.751 -15.169 -1.627 1.00 0.00 H new ATOM 847 N GLY A 57 -2.887 -14.471 1.794 1.00 0.00 N ATOM 848 CA GLY A 57 -2.259 -13.826 2.930 1.00 0.00 C ATOM 849 C GLY A 57 -3.089 -12.632 3.383 1.00 0.00 C ATOM 850 O GLY A 57 -4.306 -12.732 3.520 1.00 0.00 O ATOM 0 H GLY A 57 -3.840 -14.160 1.607 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.155 -14.537 3.749 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.254 -13.499 2.662 1.00 0.00 H new ATOM 854 N THR A 58 -2.424 -11.498 3.617 1.00 0.00 N ATOM 855 CA THR A 58 -3.103 -10.295 4.052 1.00 0.00 C ATOM 856 C THR A 58 -2.741 -9.134 3.136 1.00 0.00 C ATOM 857 O THR A 58 -1.636 -8.597 3.217 1.00 0.00 O ATOM 858 CB THR A 58 -2.713 -9.986 5.495 1.00 0.00 C ATOM 859 OG1 THR A 58 -2.981 -11.108 6.305 1.00 0.00 O ATOM 860 CG2 THR A 58 -3.522 -8.793 5.997 1.00 0.00 C ATOM 0 H THR A 58 -1.415 -11.397 3.510 1.00 0.00 H new ATOM 0 HA THR A 58 -4.181 -10.446 4.003 1.00 0.00 H new ATOM 0 HB THR A 58 -1.650 -9.750 5.541 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.729 -10.910 7.231 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.244 -8.572 7.027 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.316 -7.924 5.371 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.585 -9.029 5.951 1.00 0.00 H new ATOM 868 N LEU A 59 -3.674 -8.751 2.265 1.00 0.00 N ATOM 869 CA LEU A 59 -3.457 -7.658 1.318 1.00 0.00 C ATOM 870 C LEU A 59 -4.094 -6.350 1.795 1.00 0.00 C ATOM 871 O LEU A 59 -5.211 -6.338 2.306 1.00 0.00 O ATOM 872 CB LEU A 59 -4.022 -8.044 -0.051 1.00 0.00 C ATOM 873 CG LEU A 59 -3.292 -7.415 -1.256 1.00 0.00 C ATOM 874 CD1 LEU A 59 -3.468 -5.899 -1.282 1.00 0.00 C ATOM 875 CD2 LEU A 59 -1.809 -7.770 -1.240 1.00 0.00 C ATOM 0 H LEU A 59 -4.594 -9.185 2.196 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.382 -7.491 1.244 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.987 -9.129 -0.149 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.072 -7.754 -0.089 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.740 -7.827 -2.160 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.942 -5.486 -2.143 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.528 -5.657 -1.355 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.060 -5.470 -0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.317 -7.315 -2.099 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.355 -7.396 -0.322 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.694 -8.853 -1.287 1.00 0.00 H new ATOM 887 N TYR A 60 -3.361 -5.247 1.627 1.00 0.00 N ATOM 888 CA TYR A 60 -3.839 -3.943 2.040 1.00 0.00 C ATOM 889 C TYR A 60 -3.565 -2.922 0.945 1.00 0.00 C ATOM 890 O TYR A 60 -2.416 -2.714 0.559 1.00 0.00 O ATOM 891 CB TYR A 60 -3.152 -3.539 3.341 1.00 0.00 C ATOM 892 CG TYR A 60 -3.564 -4.379 4.526 1.00 0.00 C ATOM 893 CD1 TYR A 60 -4.919 -4.643 4.760 1.00 0.00 C ATOM 894 CD2 TYR A 60 -2.591 -4.895 5.391 1.00 0.00 C ATOM 895 CE1 TYR A 60 -5.301 -5.422 5.858 1.00 0.00 C ATOM 896 CE2 TYR A 60 -2.973 -5.674 6.489 1.00 0.00 C ATOM 897 CZ TYR A 60 -4.328 -5.938 6.723 1.00 0.00 C ATOM 898 OH TYR A 60 -4.700 -6.698 7.793 1.00 0.00 O ATOM 0 H TYR A 60 -2.432 -5.240 1.206 1.00 0.00 H new ATOM 0 HA TYR A 60 -4.915 -3.983 2.210 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.072 -3.614 3.211 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.376 -2.493 3.551 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -5.670 -4.245 4.093 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.546 -4.692 5.211 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.346 -5.625 6.038 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -2.222 -6.072 7.156 1.00 0.00 H new ATOM 0 HH TYR A 60 -5.528 -7.177 7.582 1.00 0.00 H new ATOM 908 N TYR A 61 -4.624 -2.283 0.445 1.00 0.00 N ATOM 909 CA TYR A 61 -4.492 -1.289 -0.602 1.00 0.00 C ATOM 910 C TYR A 61 -4.542 0.107 0.002 1.00 0.00 C ATOM 911 O TYR A 61 -5.620 0.637 0.261 1.00 0.00 O ATOM 912 CB TYR A 61 -5.610 -1.477 -1.624 1.00 0.00 C ATOM 913 CG TYR A 61 -5.775 -2.906 -2.081 1.00 0.00 C ATOM 914 CD1 TYR A 61 -6.333 -3.857 -1.218 1.00 0.00 C ATOM 915 CD2 TYR A 61 -5.371 -3.280 -3.368 1.00 0.00 C ATOM 916 CE1 TYR A 61 -6.487 -5.182 -1.643 1.00 0.00 C ATOM 917 CE2 TYR A 61 -5.524 -4.606 -3.793 1.00 0.00 C ATOM 918 CZ TYR A 61 -6.082 -5.556 -2.930 1.00 0.00 C ATOM 919 OH TYR A 61 -6.232 -6.847 -3.343 1.00 0.00 O ATOM 0 H TYR A 61 -5.583 -2.442 0.755 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.533 -1.410 -1.105 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -6.549 -1.132 -1.191 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.408 -0.848 -2.491 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -6.644 -3.569 -0.225 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -4.941 -2.546 -4.034 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -6.918 -5.916 -0.978 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -5.212 -4.895 -4.786 1.00 0.00 H new ATOM 0 HH TYR A 61 -5.902 -6.937 -4.261 1.00 0.00 H new ATOM 929 N PHE A 62 -3.369 0.704 0.226 1.00 0.00 N ATOM 930 CA PHE A 62 -3.285 2.033 0.798 1.00 0.00 C ATOM 931 C PHE A 62 -3.389 3.077 -0.306 1.00 0.00 C ATOM 932 O PHE A 62 -2.838 2.896 -1.389 1.00 0.00 O ATOM 933 CB PHE A 62 -1.969 2.176 1.557 1.00 0.00 C ATOM 934 CG PHE A 62 -1.807 1.177 2.677 1.00 0.00 C ATOM 935 CD1 PHE A 62 -1.263 -0.086 2.415 1.00 0.00 C ATOM 936 CD2 PHE A 62 -2.204 1.512 3.977 1.00 0.00 C ATOM 937 CE1 PHE A 62 -1.114 -1.013 3.452 1.00 0.00 C ATOM 938 CE2 PHE A 62 -2.056 0.584 5.015 1.00 0.00 C ATOM 939 CZ PHE A 62 -1.511 -0.678 4.753 1.00 0.00 C ATOM 0 H PHE A 62 -2.466 0.279 0.016 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.109 2.187 1.494 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.141 2.062 0.857 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.903 3.184 1.967 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.958 -0.345 1.412 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -2.624 2.486 4.179 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.693 -1.987 3.250 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.362 0.842 6.018 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.396 -1.394 5.554 1.00 0.00 H new ATOM 949 N THR A 63 -4.099 4.171 -0.027 1.00 0.00 N ATOM 950 CA THR A 63 -4.269 5.236 -0.996 1.00 0.00 C ATOM 951 C THR A 63 -3.784 6.553 -0.410 1.00 0.00 C ATOM 952 O THR A 63 -4.584 7.369 0.042 1.00 0.00 O ATOM 953 CB THR A 63 -5.740 5.330 -1.394 1.00 0.00 C ATOM 954 OG1 THR A 63 -6.458 4.278 -0.789 1.00 0.00 O ATOM 955 CG2 THR A 63 -5.864 5.225 -2.911 1.00 0.00 C ATOM 0 H THR A 63 -4.563 4.336 0.866 1.00 0.00 H new ATOM 0 HA THR A 63 -3.677 5.020 -1.886 1.00 0.00 H new ATOM 0 HB THR A 63 -6.147 6.285 -1.062 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.403 4.339 -1.043 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.914 5.292 -3.196 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.309 6.038 -3.379 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.458 4.270 -3.244 1.00 0.00 H new ATOM 963 N ILE A 64 -2.465 6.760 -0.420 1.00 0.00 N ATOM 964 CA ILE A 64 -1.875 7.975 0.107 1.00 0.00 C ATOM 965 C ILE A 64 -1.541 8.923 -1.037 1.00 0.00 C ATOM 966 O ILE A 64 -1.755 8.592 -2.201 1.00 0.00 O ATOM 967 CB ILE A 64 -0.623 7.627 0.906 1.00 0.00 C ATOM 968 CG1 ILE A 64 0.599 7.693 -0.007 1.00 0.00 C ATOM 969 CG2 ILE A 64 -0.756 6.216 1.473 1.00 0.00 C ATOM 970 CD1 ILE A 64 0.393 6.764 -1.201 1.00 0.00 C ATOM 0 H ILE A 64 -1.789 6.093 -0.791 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.584 8.472 0.769 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.506 8.338 1.723 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.755 8.716 -0.351 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.494 7.402 0.544 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.139 5.967 2.044 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.628 6.167 2.125 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.874 5.505 0.655 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.265 6.811 -1.853 1.00 0.00 H new ATOM 0 HD12 ILE A 64 0.259 5.742 -0.848 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.492 7.075 -1.756 1.00 0.00 H new ATOM 982 N GLU A 65 -1.016 10.103 -0.702 1.00 0.00 N ATOM 983 CA GLU A 65 -0.656 11.088 -1.702 1.00 0.00 C ATOM 984 C GLU A 65 0.724 11.655 -1.401 1.00 0.00 C ATOM 985 O GLU A 65 1.036 11.962 -0.252 1.00 0.00 O ATOM 986 CB GLU A 65 -1.704 12.197 -1.721 1.00 0.00 C ATOM 987 CG GLU A 65 -1.098 13.459 -2.330 1.00 0.00 C ATOM 988 CD GLU A 65 -2.184 14.378 -2.868 1.00 0.00 C ATOM 989 OE1 GLU A 65 -2.635 14.120 -4.004 1.00 0.00 O ATOM 990 OE2 GLU A 65 -2.543 15.323 -2.133 1.00 0.00 O ATOM 0 H GLU A 65 -0.833 10.392 0.259 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.624 10.617 -2.685 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.572 11.882 -2.300 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.053 12.400 -0.708 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.511 13.985 -1.577 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.415 13.187 -3.134 1.00 0.00 H new ATOM 997 N VAL A 66 1.553 11.793 -2.439 1.00 0.00 N ATOM 998 CA VAL A 66 2.892 12.321 -2.284 1.00 0.00 C ATOM 999 C VAL A 66 3.195 13.297 -3.412 1.00 0.00 C ATOM 1000 O VAL A 66 2.721 13.122 -4.531 1.00 0.00 O ATOM 1001 CB VAL A 66 3.895 11.171 -2.278 1.00 0.00 C ATOM 1002 CG1 VAL A 66 3.261 9.946 -1.626 1.00 0.00 C ATOM 1003 CG2 VAL A 66 4.289 10.835 -3.714 1.00 0.00 C ATOM 0 H VAL A 66 1.309 11.542 -3.397 1.00 0.00 H new ATOM 0 HA VAL A 66 2.969 12.856 -1.337 1.00 0.00 H new ATOM 0 HB VAL A 66 4.781 11.464 -1.715 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.977 9.124 -1.622 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.977 10.185 -0.601 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.375 9.652 -2.189 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.006 10.014 -3.712 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.402 10.541 -4.275 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.741 11.710 -4.181 1.00 0.00 H new ATOM 1013 N LYS A 67 3.990 14.328 -3.115 1.00 0.00 N ATOM 1014 CA LYS A 67 4.351 15.323 -4.104 1.00 0.00 C ATOM 1015 C LYS A 67 5.629 14.904 -4.818 1.00 0.00 C ATOM 1016 O LYS A 67 6.667 14.724 -4.186 1.00 0.00 O ATOM 1017 CB LYS A 67 4.534 16.675 -3.420 1.00 0.00 C ATOM 1018 CG LYS A 67 5.814 16.657 -2.591 1.00 0.00 C ATOM 1019 CD LYS A 67 5.630 17.528 -1.351 1.00 0.00 C ATOM 1020 CE LYS A 67 6.554 18.740 -1.440 1.00 0.00 C ATOM 1021 NZ LYS A 67 6.379 19.624 -0.277 1.00 0.00 N ATOM 0 H LYS A 67 4.393 14.488 -2.192 1.00 0.00 H new ATOM 0 HA LYS A 67 3.556 15.408 -4.845 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.582 17.468 -4.166 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.677 16.890 -2.781 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.056 15.635 -2.298 1.00 0.00 H new ATOM 0 HG3 LYS A 67 6.650 17.025 -3.186 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.593 17.853 -1.272 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.853 16.952 -0.453 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.591 18.408 -1.496 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.347 19.293 -2.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.018 20.440 -0.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.395 19.958 -0.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.600 19.100 0.594 1.00 0.00 H new ATOM 1035 N GLU A 68 5.549 14.749 -6.142 1.00 0.00 N ATOM 1036 CA GLU A 68 6.696 14.352 -6.933 1.00 0.00 C ATOM 1037 C GLU A 68 7.590 15.557 -7.189 1.00 0.00 C ATOM 1038 O GLU A 68 7.445 16.593 -6.544 1.00 0.00 O ATOM 1039 CB GLU A 68 6.219 13.743 -8.248 1.00 0.00 C ATOM 1040 CG GLU A 68 7.266 12.759 -8.762 1.00 0.00 C ATOM 1041 CD GLU A 68 7.155 12.585 -10.270 1.00 0.00 C ATOM 1042 OE1 GLU A 68 7.301 13.610 -10.971 1.00 0.00 O ATOM 1043 OE2 GLU A 68 6.926 11.432 -10.693 1.00 0.00 O ATOM 0 H GLU A 68 4.696 14.895 -6.681 1.00 0.00 H new ATOM 0 HA GLU A 68 7.275 13.605 -6.390 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.267 13.233 -8.101 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.050 14.528 -8.985 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.263 13.116 -8.506 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.137 11.795 -8.270 1.00 0.00 H new ATOM 1050 N GLY A 69 8.521 15.419 -8.137 1.00 0.00 N ATOM 1051 CA GLY A 69 9.432 16.495 -8.473 1.00 0.00 C ATOM 1052 C GLY A 69 8.746 17.842 -8.289 1.00 0.00 C ATOM 1053 O GLY A 69 8.936 18.506 -7.272 1.00 0.00 O ATOM 0 H GLY A 69 8.657 14.567 -8.681 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.319 16.441 -7.841 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.768 16.388 -9.504 1.00 0.00 H new ATOM 1057 N ASP A 70 7.947 18.244 -9.279 1.00 0.00 N ATOM 1058 CA ASP A 70 7.240 19.508 -9.225 1.00 0.00 C ATOM 1059 C ASP A 70 5.742 19.264 -9.335 1.00 0.00 C ATOM 1060 O ASP A 70 5.024 20.060 -9.938 1.00 0.00 O ATOM 1061 CB ASP A 70 7.725 20.410 -10.355 1.00 0.00 C ATOM 1062 CG ASP A 70 9.238 20.337 -10.499 1.00 0.00 C ATOM 1063 OD1 ASP A 70 9.913 21.142 -9.820 1.00 0.00 O ATOM 1064 OD2 ASP A 70 9.693 19.477 -11.283 1.00 0.00 O ATOM 0 H ASP A 70 7.778 17.704 -10.128 1.00 0.00 H new ATOM 0 HA ASP A 70 7.440 20.001 -8.274 1.00 0.00 H new ATOM 0 HB2 ASP A 70 7.252 20.113 -11.291 1.00 0.00 H new ATOM 0 HB3 ASP A 70 7.424 21.439 -10.159 1.00 0.00 H new ATOM 1069 N ALA A 71 5.270 18.159 -8.751 1.00 0.00 N ATOM 1070 CA ALA A 71 3.862 17.817 -8.788 1.00 0.00 C ATOM 1071 C ALA A 71 3.487 17.044 -7.531 1.00 0.00 C ATOM 1072 O ALA A 71 4.241 17.030 -6.561 1.00 0.00 O ATOM 1073 CB ALA A 71 3.573 16.990 -10.037 1.00 0.00 C ATOM 0 H ALA A 71 5.852 17.490 -8.247 1.00 0.00 H new ATOM 0 HA ALA A 71 3.263 18.727 -8.824 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.514 16.732 -10.066 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.830 17.569 -10.924 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.168 16.077 -10.015 1.00 0.00 H new ATOM 1079 N LYS A 72 2.317 16.402 -7.551 1.00 0.00 N ATOM 1080 CA LYS A 72 1.849 15.632 -6.416 1.00 0.00 C ATOM 1081 C LYS A 72 0.548 14.926 -6.769 1.00 0.00 C ATOM 1082 O LYS A 72 -0.316 15.502 -7.426 1.00 0.00 O ATOM 1083 CB LYS A 72 1.653 16.560 -5.221 1.00 0.00 C ATOM 1084 CG LYS A 72 0.719 17.702 -5.611 1.00 0.00 C ATOM 1085 CD LYS A 72 -0.292 17.938 -4.493 1.00 0.00 C ATOM 1086 CE LYS A 72 -1.456 18.769 -5.026 1.00 0.00 C ATOM 1087 NZ LYS A 72 -1.610 20.014 -4.259 1.00 0.00 N ATOM 0 H LYS A 72 1.680 16.406 -8.348 1.00 0.00 H new ATOM 0 HA LYS A 72 2.589 14.875 -6.156 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.235 16.005 -4.381 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.614 16.957 -4.894 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.294 18.610 -5.793 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.201 17.461 -6.539 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.657 16.985 -4.111 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.185 18.454 -3.660 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.288 19.004 -6.077 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.377 18.188 -4.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.408 20.561 -4.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.793 19.786 -3.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.738 20.577 -4.332 1.00 0.00 H new ATOM 1101 N LYS A 73 0.411 13.673 -6.330 1.00 0.00 N ATOM 1102 CA LYS A 73 -0.781 12.896 -6.601 1.00 0.00 C ATOM 1103 C LYS A 73 -0.885 11.744 -5.611 1.00 0.00 C ATOM 1104 O LYS A 73 -0.012 11.574 -4.760 1.00 0.00 O ATOM 1105 CB LYS A 73 -0.732 12.373 -8.035 1.00 0.00 C ATOM 1106 CG LYS A 73 0.632 11.743 -8.299 1.00 0.00 C ATOM 1107 CD LYS A 73 1.107 12.125 -9.699 1.00 0.00 C ATOM 1108 CE LYS A 73 0.750 11.011 -10.678 1.00 0.00 C ATOM 1109 NZ LYS A 73 0.230 11.561 -11.938 1.00 0.00 N ATOM 0 H LYS A 73 1.118 13.181 -5.784 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.663 13.527 -6.487 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.521 11.638 -8.193 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.911 13.187 -8.737 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.352 12.083 -7.554 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.567 10.659 -8.209 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.642 13.060 -10.010 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.184 12.290 -9.697 1.00 0.00 H new ATOM 0 HE2 LYS A 73 1.632 10.403 -10.879 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.005 10.353 -10.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -0.005 10.782 -12.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.625 12.121 -11.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 0.951 12.169 -12.375 1.00 0.00 H new ATOM 1123 N LEU A 74 -1.953 10.954 -5.726 1.00 0.00 N ATOM 1124 CA LEU A 74 -2.184 9.819 -4.833 1.00 0.00 C ATOM 1125 C LEU A 74 -1.672 8.506 -5.432 1.00 0.00 C ATOM 1126 O LEU A 74 -1.924 8.198 -6.594 1.00 0.00 O ATOM 1127 CB LEU A 74 -3.679 9.704 -4.524 1.00 0.00 C ATOM 1128 CG LEU A 74 -4.136 8.311 -4.039 1.00 0.00 C ATOM 1129 CD1 LEU A 74 -5.136 8.425 -2.893 1.00 0.00 C ATOM 1130 CD2 LEU A 74 -4.738 7.506 -5.184 1.00 0.00 C ATOM 0 H LEU A 74 -2.676 11.081 -6.434 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.627 9.999 -3.913 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.936 10.440 -3.762 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.242 9.963 -5.421 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.254 7.787 -3.672 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.439 7.428 -2.574 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.673 8.949 -2.057 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.012 8.980 -3.228 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.052 6.529 -4.816 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -5.601 8.036 -5.587 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.993 7.376 -5.969 1.00 0.00 H new ATOM 1142 N TYR A 75 -0.944 7.738 -4.618 1.00 0.00 N ATOM 1143 CA TYR A 75 -0.390 6.472 -5.057 1.00 0.00 C ATOM 1144 C TYR A 75 -1.021 5.332 -4.270 1.00 0.00 C ATOM 1145 O TYR A 75 -1.095 5.387 -3.045 1.00 0.00 O ATOM 1146 CB TYR A 75 1.123 6.488 -4.868 1.00 0.00 C ATOM 1147 CG TYR A 75 1.829 7.503 -5.734 1.00 0.00 C ATOM 1148 CD1 TYR A 75 1.534 8.865 -5.598 1.00 0.00 C ATOM 1149 CD2 TYR A 75 2.778 7.083 -6.673 1.00 0.00 C ATOM 1150 CE1 TYR A 75 2.188 9.807 -6.402 1.00 0.00 C ATOM 1151 CE2 TYR A 75 3.432 8.025 -7.477 1.00 0.00 C ATOM 1152 CZ TYR A 75 3.137 9.387 -7.342 1.00 0.00 C ATOM 1153 OH TYR A 75 3.774 10.304 -8.124 1.00 0.00 O ATOM 0 H TYR A 75 -0.729 7.979 -3.650 1.00 0.00 H new ATOM 0 HA TYR A 75 -0.609 6.321 -6.114 1.00 0.00 H new ATOM 0 HB2 TYR A 75 1.348 6.696 -3.822 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.519 5.497 -5.088 1.00 0.00 H new ATOM 0 HD1 TYR A 75 0.802 9.189 -4.873 1.00 0.00 H new ATOM 0 HD2 TYR A 75 3.006 6.033 -6.778 1.00 0.00 H new ATOM 0 HE1 TYR A 75 1.960 10.857 -6.297 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.164 7.701 -8.202 1.00 0.00 H new ATOM 0 HH TYR A 75 4.401 9.845 -8.721 1.00 0.00 H new ATOM 1163 N GLU A 76 -1.476 4.297 -4.979 1.00 0.00 N ATOM 1164 CA GLU A 76 -2.097 3.151 -4.343 1.00 0.00 C ATOM 1165 C GLU A 76 -1.027 2.172 -3.882 1.00 0.00 C ATOM 1166 O GLU A 76 -0.612 1.298 -4.640 1.00 0.00 O ATOM 1167 CB GLU A 76 -3.055 2.483 -5.324 1.00 0.00 C ATOM 1168 CG GLU A 76 -3.620 3.532 -6.277 1.00 0.00 C ATOM 1169 CD GLU A 76 -5.102 3.297 -6.528 1.00 0.00 C ATOM 1170 OE1 GLU A 76 -5.473 2.112 -6.672 1.00 0.00 O ATOM 1171 OE2 GLU A 76 -5.838 4.307 -6.570 1.00 0.00 O ATOM 0 H GLU A 76 -1.422 4.236 -5.996 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.661 3.478 -3.470 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.535 1.708 -5.886 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.865 1.994 -4.782 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.472 4.527 -5.858 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.078 3.500 -7.222 1.00 0.00 H new ATOM 1178 N ALA A 77 -0.581 2.319 -2.632 1.00 0.00 N ATOM 1179 CA ALA A 77 0.437 1.451 -2.076 1.00 0.00 C ATOM 1180 C ALA A 77 -0.189 0.130 -1.652 1.00 0.00 C ATOM 1181 O ALA A 77 -0.944 0.080 -0.683 1.00 0.00 O ATOM 1182 CB ALA A 77 1.100 2.140 -0.887 1.00 0.00 C ATOM 0 H ALA A 77 -0.916 3.037 -1.990 1.00 0.00 H new ATOM 0 HA ALA A 77 1.197 1.246 -2.830 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.866 1.487 -0.469 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.558 3.073 -1.216 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.350 2.354 -0.126 1.00 0.00 H new ATOM 1188 N LYS A 78 0.126 -0.943 -2.381 1.00 0.00 N ATOM 1189 CA LYS A 78 -0.407 -2.257 -2.076 1.00 0.00 C ATOM 1190 C LYS A 78 0.684 -3.132 -1.479 1.00 0.00 C ATOM 1191 O LYS A 78 1.701 -3.389 -2.121 1.00 0.00 O ATOM 1192 CB LYS A 78 -0.968 -2.884 -3.350 1.00 0.00 C ATOM 1193 CG LYS A 78 -1.512 -4.274 -3.034 1.00 0.00 C ATOM 1194 CD LYS A 78 -0.815 -5.307 -3.916 1.00 0.00 C ATOM 1195 CE LYS A 78 -1.691 -6.551 -4.032 1.00 0.00 C ATOM 1196 NZ LYS A 78 -2.478 -6.526 -5.275 1.00 0.00 N ATOM 0 H LYS A 78 0.750 -0.919 -3.187 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.211 -2.167 -1.345 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.759 -2.256 -3.759 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.189 -2.950 -4.109 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.349 -4.509 -1.982 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.588 -4.302 -3.204 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.626 -4.889 -4.905 1.00 0.00 H new ATOM 0 HD3 LYS A 78 0.154 -5.570 -3.491 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.066 -7.444 -4.011 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.361 -6.610 -3.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.066 -7.382 -5.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -3.090 -5.685 -5.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.835 -6.493 -6.092 1.00 0.00 H new ATOM 1210 N VAL A 79 0.471 -3.593 -0.244 1.00 0.00 N ATOM 1211 CA VAL A 79 1.435 -4.437 0.435 1.00 0.00 C ATOM 1212 C VAL A 79 0.834 -5.815 0.672 1.00 0.00 C ATOM 1213 O VAL A 79 -0.351 -6.029 0.430 1.00 0.00 O ATOM 1214 CB VAL A 79 1.836 -3.787 1.756 1.00 0.00 C ATOM 1215 CG1 VAL A 79 2.827 -4.689 2.485 1.00 0.00 C ATOM 1216 CG2 VAL A 79 2.486 -2.433 1.480 1.00 0.00 C ATOM 0 H VAL A 79 -0.367 -3.390 0.301 1.00 0.00 H new ATOM 0 HA VAL A 79 2.325 -4.552 -0.183 1.00 0.00 H new ATOM 0 HB VAL A 79 0.951 -3.645 2.376 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.114 -4.226 3.429 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.363 -5.655 2.682 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.713 -4.831 1.866 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.773 -1.968 2.423 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.372 -2.574 0.861 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.778 -1.789 0.959 1.00 0.00 H new ATOM 1226 N TRP A 80 1.657 -6.752 1.146 1.00 0.00 N ATOM 1227 CA TRP A 80 1.201 -8.101 1.414 1.00 0.00 C ATOM 1228 C TRP A 80 1.996 -8.699 2.567 1.00 0.00 C ATOM 1229 O TRP A 80 3.091 -9.217 2.368 1.00 0.00 O ATOM 1230 CB TRP A 80 1.357 -8.949 0.154 1.00 0.00 C ATOM 1231 CG TRP A 80 0.625 -10.252 0.178 1.00 0.00 C ATOM 1232 CD1 TRP A 80 -0.488 -10.510 0.899 1.00 0.00 C ATOM 1233 CD2 TRP A 80 0.932 -11.488 -0.538 1.00 0.00 C ATOM 1234 NE1 TRP A 80 -0.888 -11.811 0.680 1.00 0.00 N ATOM 1235 CE2 TRP A 80 -0.047 -12.462 -0.199 1.00 0.00 C ATOM 1236 CE3 TRP A 80 1.936 -11.886 -1.438 1.00 0.00 C ATOM 1237 CZ2 TRP A 80 -0.031 -13.756 -0.723 1.00 0.00 C ATOM 1238 CZ3 TRP A 80 1.962 -13.184 -1.970 1.00 0.00 C ATOM 1239 CH2 TRP A 80 0.982 -14.119 -1.615 1.00 0.00 C ATOM 0 H TRP A 80 2.644 -6.593 1.350 1.00 0.00 H new ATOM 0 HA TRP A 80 0.149 -8.082 1.698 1.00 0.00 H new ATOM 0 HB2 TRP A 80 1.010 -8.370 -0.702 1.00 0.00 H new ATOM 0 HB3 TRP A 80 2.417 -9.147 -0.004 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -0.988 -9.805 1.547 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -1.705 -12.240 1.114 1.00 0.00 H new ATOM 0 HE3 TRP A 80 2.701 -11.180 -1.725 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -0.793 -14.468 -0.442 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 2.745 -13.464 -2.659 1.00 0.00 H new ATOM 0 HH2 TRP A 80 1.009 -15.116 -2.029 1.00 0.00 H new ATOM 1250 N GLU A 81 1.438 -8.623 3.777 1.00 0.00 N ATOM 1251 CA GLU A 81 2.095 -9.157 4.954 1.00 0.00 C ATOM 1252 C GLU A 81 1.341 -10.378 5.460 1.00 0.00 C ATOM 1253 O GLU A 81 0.199 -10.613 5.073 1.00 0.00 O ATOM 1254 CB GLU A 81 2.161 -8.077 6.031 1.00 0.00 C ATOM 1255 CG GLU A 81 0.814 -7.365 6.120 1.00 0.00 C ATOM 1256 CD GLU A 81 -0.008 -7.903 7.282 1.00 0.00 C ATOM 1257 OE1 GLU A 81 0.608 -8.178 8.334 1.00 0.00 O ATOM 1258 OE2 GLU A 81 -1.238 -8.029 7.097 1.00 0.00 O ATOM 0 H GLU A 81 0.531 -8.194 3.959 1.00 0.00 H new ATOM 0 HA GLU A 81 3.110 -9.463 4.700 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.413 -8.523 6.993 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.948 -7.361 5.795 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.972 -6.294 6.246 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.265 -7.499 5.188 1.00 0.00 H new ATOM 1265 N LYS A 82 1.988 -11.159 6.330 1.00 0.00 N ATOM 1266 CA LYS A 82 1.377 -12.350 6.886 1.00 0.00 C ATOM 1267 C LYS A 82 1.764 -12.495 8.351 1.00 0.00 C ATOM 1268 O LYS A 82 2.942 -12.620 8.676 1.00 0.00 O ATOM 1269 CB LYS A 82 1.826 -13.570 6.085 1.00 0.00 C ATOM 1270 CG LYS A 82 1.833 -13.228 4.598 1.00 0.00 C ATOM 1271 CD LYS A 82 2.666 -14.258 3.843 1.00 0.00 C ATOM 1272 CE LYS A 82 1.917 -14.698 2.588 1.00 0.00 C ATOM 1273 NZ LYS A 82 2.799 -15.453 1.684 1.00 0.00 N ATOM 0 H LYS A 82 2.937 -10.980 6.659 1.00 0.00 H new ATOM 0 HA LYS A 82 0.292 -12.269 6.825 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.822 -13.880 6.402 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.156 -14.409 6.273 1.00 0.00 H new ATOM 0 HG2 LYS A 82 0.814 -13.216 4.212 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.244 -12.230 4.445 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.632 -13.832 3.572 1.00 0.00 H new ATOM 0 HD3 LYS A 82 2.865 -15.119 4.481 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.063 -15.315 2.868 1.00 0.00 H new ATOM 0 HE3 LYS A 82 1.523 -13.824 2.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.266 -15.740 0.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.600 -14.854 1.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.155 -16.299 2.173 1.00 0.00 H new ATOM 1287 N PRO A 83 0.765 -12.479 9.236 1.00 0.00 N ATOM 1288 CA PRO A 83 0.941 -12.605 10.667 1.00 0.00 C ATOM 1289 C PRO A 83 1.315 -14.039 11.010 1.00 0.00 C ATOM 1290 O PRO A 83 2.234 -14.273 11.793 1.00 0.00 O ATOM 1291 CB PRO A 83 -0.417 -12.236 11.262 1.00 0.00 C ATOM 1292 CG PRO A 83 -1.394 -12.667 10.169 1.00 0.00 C ATOM 1293 CD PRO A 83 -0.633 -12.334 8.888 1.00 0.00 C ATOM 0 HA PRO A 83 1.735 -11.967 11.055 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -0.603 -12.759 12.200 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -0.490 -11.169 11.472 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -1.632 -13.729 10.234 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -2.337 -12.125 10.232 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -0.910 -13.008 8.077 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -0.853 -11.321 8.550 1.00 0.00 H new ATOM 1301 N TRP A 84 0.601 -15.001 10.423 1.00 0.00 N ATOM 1302 CA TRP A 84 0.864 -16.405 10.672 1.00 0.00 C ATOM 1303 C TRP A 84 2.356 -16.680 10.555 1.00 0.00 C ATOM 1304 O TRP A 84 2.834 -17.729 10.985 1.00 0.00 O ATOM 1305 CB TRP A 84 0.078 -17.254 9.677 1.00 0.00 C ATOM 1306 CG TRP A 84 0.623 -17.258 8.285 1.00 0.00 C ATOM 1307 CD1 TRP A 84 1.657 -18.013 7.853 1.00 0.00 C ATOM 1308 CD2 TRP A 84 0.185 -16.484 7.127 1.00 0.00 C ATOM 1309 NE1 TRP A 84 1.887 -17.761 6.518 1.00 0.00 N ATOM 1310 CE2 TRP A 84 1.007 -16.823 6.018 1.00 0.00 C ATOM 1311 CE3 TRP A 84 -0.822 -15.528 6.899 1.00 0.00 C ATOM 1312 CZ2 TRP A 84 0.840 -16.249 4.754 1.00 0.00 C ATOM 1313 CZ3 TRP A 84 -0.997 -14.945 5.636 1.00 0.00 C ATOM 1314 CH2 TRP A 84 -0.170 -15.302 4.564 1.00 0.00 C ATOM 0 H TRP A 84 -0.164 -14.825 9.772 1.00 0.00 H new ATOM 0 HA TRP A 84 0.546 -16.664 11.682 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.047 -18.280 10.042 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -0.951 -16.895 9.648 1.00 0.00 H new ATOM 0 HD1 TRP A 84 2.217 -18.708 8.461 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.618 -18.212 5.967 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -1.472 -15.238 7.712 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 1.483 -16.534 3.935 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -1.777 -14.213 5.488 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -0.312 -14.848 3.595 1.00 0.00 H new ATOM 1325 N MET A 85 3.094 -15.734 9.971 1.00 0.00 N ATOM 1326 CA MET A 85 4.525 -15.880 9.800 1.00 0.00 C ATOM 1327 C MET A 85 5.206 -14.527 9.952 1.00 0.00 C ATOM 1328 O MET A 85 6.399 -14.394 9.688 1.00 0.00 O ATOM 1329 CB MET A 85 4.814 -16.476 8.425 1.00 0.00 C ATOM 1330 CG MET A 85 4.472 -15.455 7.345 1.00 0.00 C ATOM 1331 SD MET A 85 5.298 -15.755 5.762 1.00 0.00 S ATOM 1332 CE MET A 85 5.014 -17.537 5.621 1.00 0.00 C ATOM 0 H MET A 85 2.715 -14.859 9.610 1.00 0.00 H new ATOM 0 HA MET A 85 4.918 -16.550 10.564 1.00 0.00 H new ATOM 0 HB2 MET A 85 5.864 -16.759 8.353 1.00 0.00 H new ATOM 0 HB3 MET A 85 4.229 -17.384 8.280 1.00 0.00 H new ATOM 0 HG2 MET A 85 3.394 -15.456 7.187 1.00 0.00 H new ATOM 0 HG3 MET A 85 4.741 -14.461 7.701 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.969 -18.049 5.501 1.00 0.00 H new ATOM 0 HE2 MET A 85 4.519 -17.899 6.522 1.00 0.00 H new ATOM 0 HE3 MET A 85 4.383 -17.738 4.755 1.00 0.00 H new ATOM 1342 N ASP A 86 4.442 -13.519 10.381 1.00 0.00 N ATOM 1343 CA ASP A 86 4.972 -12.184 10.566 1.00 0.00 C ATOM 1344 C ASP A 86 5.896 -11.831 9.410 1.00 0.00 C ATOM 1345 O ASP A 86 7.115 -11.842 9.561 1.00 0.00 O ATOM 1346 CB ASP A 86 5.718 -12.113 11.896 1.00 0.00 C ATOM 1347 CG ASP A 86 5.603 -10.726 12.511 1.00 0.00 C ATOM 1348 OD1 ASP A 86 4.450 -10.296 12.728 1.00 0.00 O ATOM 1349 OD2 ASP A 86 6.671 -10.122 12.752 1.00 0.00 O ATOM 0 H ASP A 86 3.451 -13.612 10.605 1.00 0.00 H new ATOM 0 HA ASP A 86 4.154 -11.463 10.584 1.00 0.00 H new ATOM 0 HB2 ASP A 86 5.313 -12.855 12.584 1.00 0.00 H new ATOM 0 HB3 ASP A 86 6.768 -12.361 11.742 1.00 0.00 H new ATOM 1354 N PHE A 87 5.312 -11.518 8.250 1.00 0.00 N ATOM 1355 CA PHE A 87 6.085 -11.166 7.077 1.00 0.00 C ATOM 1356 C PHE A 87 5.409 -10.020 6.337 1.00 0.00 C ATOM 1357 O PHE A 87 4.331 -9.577 6.726 1.00 0.00 O ATOM 1358 CB PHE A 87 6.223 -12.387 6.174 1.00 0.00 C ATOM 1359 CG PHE A 87 6.534 -12.043 4.736 1.00 0.00 C ATOM 1360 CD1 PHE A 87 7.865 -11.905 4.323 1.00 0.00 C ATOM 1361 CD2 PHE A 87 5.493 -11.858 3.819 1.00 0.00 C ATOM 1362 CE1 PHE A 87 8.154 -11.583 2.991 1.00 0.00 C ATOM 1363 CE2 PHE A 87 5.783 -11.536 2.487 1.00 0.00 C ATOM 1364 CZ PHE A 87 7.114 -11.399 2.074 1.00 0.00 C ATOM 0 H PHE A 87 4.302 -11.504 8.108 1.00 0.00 H new ATOM 0 HA PHE A 87 7.080 -10.839 7.378 1.00 0.00 H new ATOM 0 HB2 PHE A 87 7.012 -13.030 6.564 1.00 0.00 H new ATOM 0 HB3 PHE A 87 5.297 -12.961 6.210 1.00 0.00 H new ATOM 0 HD1 PHE A 87 8.668 -12.047 5.031 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.467 -11.963 4.138 1.00 0.00 H new ATOM 0 HE1 PHE A 87 9.180 -11.477 2.672 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.980 -11.393 1.779 1.00 0.00 H new ATOM 0 HZ PHE A 87 7.338 -11.151 1.047 1.00 0.00 H new ATOM 1374 N LYS A 88 6.047 -9.540 5.268 1.00 0.00 N ATOM 1375 CA LYS A 88 5.504 -8.450 4.481 1.00 0.00 C ATOM 1376 C LYS A 88 6.414 -8.165 3.294 1.00 0.00 C ATOM 1377 O LYS A 88 7.621 -8.387 3.364 1.00 0.00 O ATOM 1378 CB LYS A 88 5.359 -7.211 5.360 1.00 0.00 C ATOM 1379 CG LYS A 88 6.741 -6.739 5.803 1.00 0.00 C ATOM 1380 CD LYS A 88 6.846 -5.227 5.616 1.00 0.00 C ATOM 1381 CE LYS A 88 7.433 -4.598 6.877 1.00 0.00 C ATOM 1382 NZ LYS A 88 8.110 -3.330 6.567 1.00 0.00 N ATOM 0 H LYS A 88 6.942 -9.895 4.933 1.00 0.00 H new ATOM 0 HA LYS A 88 4.521 -8.727 4.101 1.00 0.00 H new ATOM 0 HB2 LYS A 88 4.851 -6.419 4.810 1.00 0.00 H new ATOM 0 HB3 LYS A 88 4.744 -7.439 6.231 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.908 -7.000 6.848 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.513 -7.243 5.221 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.476 -4.999 4.756 1.00 0.00 H new ATOM 0 HD3 LYS A 88 5.862 -4.806 5.411 1.00 0.00 H new ATOM 0 HE2 LYS A 88 6.640 -4.423 7.603 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.140 -5.289 7.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 8.500 -2.922 7.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.881 -3.504 5.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 7.428 -2.665 6.150 1.00 0.00 H new ATOM 1396 N GLU A 89 5.831 -7.670 2.200 1.00 0.00 N ATOM 1397 CA GLU A 89 6.591 -7.358 1.007 1.00 0.00 C ATOM 1398 C GLU A 89 5.815 -6.377 0.138 1.00 0.00 C ATOM 1399 O GLU A 89 4.625 -6.572 -0.112 1.00 0.00 O ATOM 1400 CB GLU A 89 6.884 -8.644 0.240 1.00 0.00 C ATOM 1401 CG GLU A 89 7.653 -8.312 -1.036 1.00 0.00 C ATOM 1402 CD GLU A 89 8.850 -9.236 -1.206 1.00 0.00 C ATOM 1403 OE1 GLU A 89 9.717 -9.212 -0.306 1.00 0.00 O ATOM 1404 OE2 GLU A 89 8.875 -9.949 -2.233 1.00 0.00 O ATOM 0 H GLU A 89 4.832 -7.479 2.124 1.00 0.00 H new ATOM 0 HA GLU A 89 7.536 -6.893 1.287 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.465 -9.326 0.861 1.00 0.00 H new ATOM 0 HB3 GLU A 89 5.952 -9.153 -0.006 1.00 0.00 H new ATOM 0 HG2 GLU A 89 6.992 -8.405 -1.898 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.990 -7.276 -1.003 1.00 0.00 H new ATOM 1411 N LEU A 90 6.490 -5.323 -0.321 1.00 0.00 N ATOM 1412 CA LEU A 90 5.865 -4.298 -1.157 1.00 0.00 C ATOM 1413 C LEU A 90 5.552 -4.819 -2.562 1.00 0.00 C ATOM 1414 O LEU A 90 6.398 -5.415 -3.222 1.00 0.00 O ATOM 1415 CB LEU A 90 6.785 -3.078 -1.245 1.00 0.00 C ATOM 1416 CG LEU A 90 6.101 -1.786 -1.738 1.00 0.00 C ATOM 1417 CD1 LEU A 90 5.381 -2.012 -3.065 1.00 0.00 C ATOM 1418 CD2 LEU A 90 5.127 -1.253 -0.695 1.00 0.00 C ATOM 0 H LEU A 90 7.477 -5.156 -0.126 1.00 0.00 H new ATOM 0 HA LEU A 90 4.919 -4.018 -0.693 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.214 -2.892 -0.260 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.613 -3.312 -1.914 1.00 0.00 H new ATOM 0 HG LEU A 90 6.882 -1.042 -1.896 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.909 -1.083 -3.386 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.100 -2.333 -3.819 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.619 -2.781 -2.939 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.658 -0.342 -1.067 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.360 -2.002 -0.498 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.665 -1.034 0.227 1.00 0.00 H new ATOM 1430 N GLN A 91 4.314 -4.585 -3.008 1.00 0.00 N ATOM 1431 CA GLN A 91 3.880 -5.028 -4.318 1.00 0.00 C ATOM 1432 C GLN A 91 3.976 -3.877 -5.310 1.00 0.00 C ATOM 1433 O GLN A 91 4.443 -4.058 -6.432 1.00 0.00 O ATOM 1434 CB GLN A 91 2.447 -5.546 -4.228 1.00 0.00 C ATOM 1435 CG GLN A 91 2.403 -6.763 -3.308 1.00 0.00 C ATOM 1436 CD GLN A 91 2.884 -8.010 -4.036 1.00 0.00 C ATOM 1437 OE1 GLN A 91 3.635 -7.916 -5.004 1.00 0.00 O ATOM 1438 NE2 GLN A 91 2.448 -9.181 -3.566 1.00 0.00 N ATOM 0 H GLN A 91 3.600 -4.090 -2.473 1.00 0.00 H new ATOM 0 HA GLN A 91 4.524 -5.835 -4.666 1.00 0.00 H new ATOM 0 HB2 GLN A 91 1.790 -4.765 -3.847 1.00 0.00 H new ATOM 0 HB3 GLN A 91 2.083 -5.813 -5.220 1.00 0.00 H new ATOM 0 HG2 GLN A 91 3.027 -6.585 -2.432 1.00 0.00 H new ATOM 0 HG3 GLN A 91 1.385 -6.916 -2.949 1.00 0.00 H new ATOM 0 HE21 GLN A 91 1.825 -9.206 -2.759 1.00 0.00 H new ATOM 0 HE22 GLN A 91 2.738 -10.050 -4.014 1.00 0.00 H new ATOM 1447 N GLU A 92 3.532 -2.689 -4.892 1.00 0.00 N ATOM 1448 CA GLU A 92 3.572 -1.518 -5.744 1.00 0.00 C ATOM 1449 C GLU A 92 2.686 -0.423 -5.166 1.00 0.00 C ATOM 1450 O GLU A 92 1.576 -0.693 -4.712 1.00 0.00 O ATOM 1451 CB GLU A 92 3.114 -1.898 -7.150 1.00 0.00 C ATOM 1452 CG GLU A 92 4.318 -1.926 -8.087 1.00 0.00 C ATOM 1453 CD GLU A 92 4.073 -2.869 -9.256 1.00 0.00 C ATOM 1454 OE1 GLU A 92 2.954 -2.809 -9.810 1.00 0.00 O ATOM 1455 OE2 GLU A 92 5.011 -3.631 -9.576 1.00 0.00 O ATOM 0 H GLU A 92 3.141 -2.522 -3.965 1.00 0.00 H new ATOM 0 HA GLU A 92 4.593 -1.139 -5.797 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.629 -2.874 -7.135 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.376 -1.181 -7.510 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.517 -0.921 -8.460 1.00 0.00 H new ATOM 0 HG3 GLU A 92 5.204 -2.244 -7.538 1.00 0.00 H new ATOM 1462 N PHE A 93 3.180 0.816 -5.185 1.00 0.00 N ATOM 1463 CA PHE A 93 2.433 1.943 -4.664 1.00 0.00 C ATOM 1464 C PHE A 93 2.410 3.066 -5.691 1.00 0.00 C ATOM 1465 O PHE A 93 3.307 3.906 -5.717 1.00 0.00 O ATOM 1466 CB PHE A 93 3.070 2.416 -3.360 1.00 0.00 C ATOM 1467 CG PHE A 93 4.133 3.469 -3.554 1.00 0.00 C ATOM 1468 CD1 PHE A 93 5.331 3.144 -4.203 1.00 0.00 C ATOM 1469 CD2 PHE A 93 3.920 4.772 -3.089 1.00 0.00 C ATOM 1470 CE1 PHE A 93 6.315 4.122 -4.385 1.00 0.00 C ATOM 1471 CE2 PHE A 93 4.905 5.751 -3.273 1.00 0.00 C ATOM 1472 CZ PHE A 93 6.103 5.426 -3.920 1.00 0.00 C ATOM 0 H PHE A 93 4.098 1.057 -5.559 1.00 0.00 H new ATOM 0 HA PHE A 93 1.405 1.641 -4.462 1.00 0.00 H new ATOM 0 HB2 PHE A 93 2.292 2.813 -2.708 1.00 0.00 H new ATOM 0 HB3 PHE A 93 3.508 1.559 -2.848 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.495 2.139 -4.563 1.00 0.00 H new ATOM 0 HD2 PHE A 93 2.996 5.023 -2.588 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.239 3.871 -4.885 1.00 0.00 H new ATOM 0 HE2 PHE A 93 4.740 6.757 -2.916 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.863 6.180 -4.061 1.00 0.00 H new ATOM 1482 N LYS A 94 1.380 3.080 -6.540 1.00 0.00 N ATOM 1483 CA LYS A 94 1.246 4.098 -7.562 1.00 0.00 C ATOM 1484 C LYS A 94 -0.199 4.169 -8.036 1.00 0.00 C ATOM 1485 O LYS A 94 -0.969 3.233 -7.834 1.00 0.00 O ATOM 1486 CB LYS A 94 2.181 3.777 -8.724 1.00 0.00 C ATOM 1487 CG LYS A 94 1.615 2.607 -9.524 1.00 0.00 C ATOM 1488 CD LYS A 94 2.614 2.195 -10.600 1.00 0.00 C ATOM 1489 CE LYS A 94 3.726 1.361 -9.970 1.00 0.00 C ATOM 1490 NZ LYS A 94 5.014 1.609 -10.637 1.00 0.00 N ATOM 0 H LYS A 94 0.628 2.391 -6.532 1.00 0.00 H new ATOM 0 HA LYS A 94 1.519 5.069 -7.150 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.293 4.650 -9.366 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.173 3.528 -8.348 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.410 1.766 -8.862 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.667 2.891 -9.982 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.111 1.621 -11.378 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.035 3.079 -11.078 1.00 0.00 H new ATOM 0 HE2 LYS A 94 3.809 1.601 -8.910 1.00 0.00 H new ATOM 0 HE3 LYS A 94 3.475 0.303 -10.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 5.753 1.030 -10.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 4.938 1.357 -11.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 5.262 2.615 -10.550 1.00 0.00 H new ATOM 1504 N PRO A 95 -0.565 5.286 -8.670 1.00 0.00 N ATOM 1505 CA PRO A 95 -1.893 5.529 -9.192 1.00 0.00 C ATOM 1506 C PRO A 95 -2.122 4.669 -10.426 1.00 0.00 C ATOM 1507 O PRO A 95 -3.157 4.782 -11.080 1.00 0.00 O ATOM 1508 CB PRO A 95 -1.906 7.014 -9.550 1.00 0.00 C ATOM 1509 CG PRO A 95 -0.447 7.288 -9.912 1.00 0.00 C ATOM 1510 CD PRO A 95 0.314 6.405 -8.926 1.00 0.00 C ATOM 0 HA PRO A 95 -2.681 5.281 -8.481 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -2.576 7.223 -10.384 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -2.237 7.629 -8.713 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -0.229 7.021 -10.946 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -0.191 8.341 -9.794 1.00 0.00 H new ATOM 0 HD2 PRO A 95 1.264 6.073 -9.345 1.00 0.00 H new ATOM 0 HD3 PRO A 95 0.543 6.945 -8.007 1.00 0.00 H new ATOM 1518 N VAL A 96 -1.153 3.808 -10.744 1.00 0.00 N ATOM 1519 CA VAL A 96 -1.253 2.936 -11.897 1.00 0.00 C ATOM 1520 C VAL A 96 -1.526 3.761 -13.145 1.00 0.00 C ATOM 1521 O VAL A 96 -2.677 4.051 -13.461 1.00 0.00 O ATOM 1522 CB VAL A 96 -2.365 1.916 -11.667 1.00 0.00 C ATOM 1523 CG1 VAL A 96 -2.553 1.075 -12.927 1.00 0.00 C ATOM 1524 CG2 VAL A 96 -1.990 1.009 -10.500 1.00 0.00 C ATOM 0 H VAL A 96 -0.290 3.702 -10.211 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.313 2.403 -12.038 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.294 2.437 -11.437 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.347 0.346 -12.763 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.822 1.724 -13.761 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.624 0.553 -13.158 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.784 0.281 -10.336 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.061 0.487 -10.729 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.857 1.610 -9.600 1.00 0.00 H new ATOM 1534 N ASP A 97 -0.461 4.140 -13.857 1.00 0.00 N ATOM 1535 CA ASP A 97 -0.592 4.929 -15.065 1.00 0.00 C ATOM 1536 C ASP A 97 -1.570 4.256 -16.017 1.00 0.00 C ATOM 1537 O ASP A 97 -1.960 3.112 -15.800 1.00 0.00 O ATOM 1538 CB ASP A 97 0.779 5.087 -15.718 1.00 0.00 C ATOM 1539 CG ASP A 97 1.168 6.555 -15.818 1.00 0.00 C ATOM 1540 OD1 ASP A 97 0.575 7.242 -16.679 1.00 0.00 O ATOM 1541 OD2 ASP A 97 2.050 6.964 -15.032 1.00 0.00 O ATOM 0 H ASP A 97 0.501 3.908 -13.609 1.00 0.00 H new ATOM 0 HA ASP A 97 -0.979 5.918 -14.819 1.00 0.00 H new ATOM 0 HB2 ASP A 97 1.527 4.547 -15.137 1.00 0.00 H new ATOM 0 HB3 ASP A 97 0.766 4.642 -16.713 1.00 0.00 H new ATOM 1546 N ALA A 98 -1.963 4.969 -17.075 1.00 0.00 N ATOM 1547 CA ALA A 98 -2.892 4.439 -18.052 1.00 0.00 C ATOM 1548 C ALA A 98 -2.366 4.697 -19.456 1.00 0.00 C ATOM 1549 O ALA A 98 -1.357 5.377 -19.628 1.00 0.00 O ATOM 1550 CB ALA A 98 -4.259 5.089 -17.858 1.00 0.00 C ATOM 0 H ALA A 98 -1.645 5.919 -17.270 1.00 0.00 H new ATOM 0 HA ALA A 98 -2.994 3.362 -17.916 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.959 4.691 -18.593 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -4.625 4.874 -16.854 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -4.171 6.168 -17.988 1.00 0.00 H new ATOM 1556 N SER A 99 -3.054 4.152 -20.462 1.00 0.00 N ATOM 1557 CA SER A 99 -2.653 4.327 -21.844 1.00 0.00 C ATOM 1558 C SER A 99 -3.269 5.602 -22.402 1.00 0.00 C ATOM 1559 O SER A 99 -3.402 5.752 -23.616 1.00 0.00 O ATOM 1560 CB SER A 99 -3.093 3.114 -22.658 1.00 0.00 C ATOM 1561 OG SER A 99 -4.495 2.982 -22.585 1.00 0.00 O ATOM 0 H SER A 99 -3.893 3.586 -20.336 1.00 0.00 H new ATOM 0 HA SER A 99 -1.568 4.414 -21.904 1.00 0.00 H new ATOM 0 HB2 SER A 99 -2.781 3.227 -23.696 1.00 0.00 H new ATOM 0 HB3 SER A 99 -2.612 2.213 -22.277 1.00 0.00 H new ATOM 0 HG SER A 99 -4.778 2.204 -23.109 1.00 0.00 H new ATOM 1567 N ALA A 100 -3.644 6.524 -21.513 1.00 0.00 N ATOM 1568 CA ALA A 100 -4.242 7.780 -21.918 1.00 0.00 C ATOM 1569 C ALA A 100 -3.402 8.420 -23.015 1.00 0.00 C ATOM 1570 O ALA A 100 -2.257 8.798 -22.782 1.00 0.00 O ATOM 1571 CB ALA A 100 -4.351 8.705 -20.710 1.00 0.00 C ATOM 0 H ALA A 100 -3.540 6.415 -20.504 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.243 7.601 -22.311 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -4.801 9.650 -21.015 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -4.973 8.236 -19.948 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -3.357 8.891 -20.303 1.00 0.00 H new ATOM 1577 N ASN A 101 -3.975 8.541 -24.214 1.00 0.00 N ATOM 1578 CA ASN A 101 -3.278 9.134 -25.337 1.00 0.00 C ATOM 1579 C ASN A 101 -2.031 8.322 -25.662 1.00 0.00 C ATOM 1580 O ASN A 101 -0.994 8.488 -25.026 1.00 0.00 O ATOM 1581 CB ASN A 101 -2.909 10.577 -25.001 1.00 0.00 C ATOM 1582 CG ASN A 101 -3.848 11.553 -25.696 1.00 0.00 C ATOM 1583 OD1 ASN A 101 -4.247 11.328 -26.836 1.00 0.00 O ATOM 1584 ND2 ASN A 101 -4.201 12.639 -25.004 1.00 0.00 N ATOM 0 H ASN A 101 -4.924 8.232 -24.424 1.00 0.00 H new ATOM 0 HA ASN A 101 -3.927 9.131 -26.213 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -2.955 10.727 -23.922 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -1.881 10.775 -25.306 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -4.829 13.327 -25.420 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -3.843 12.781 -24.060 1.00 0.00 H new ATOM 1591 N ALA A 102 -2.138 7.440 -26.659 1.00 0.00 N ATOM 1592 CA ALA A 102 -1.025 6.606 -27.063 1.00 0.00 C ATOM 1593 C ALA A 102 -0.530 5.793 -25.875 1.00 0.00 C ATOM 1594 O ALA A 102 -1.143 5.813 -24.809 1.00 0.00 O ATOM 1595 CB ALA A 102 0.092 7.484 -27.620 1.00 0.00 C ATOM 1596 OXT ALA A 102 0.487 5.108 -25.969 1.00 0.00 O ATOM 0 H ALA A 102 -2.992 7.292 -27.197 1.00 0.00 H new ATOM 0 HA ALA A 102 -1.348 5.915 -27.841 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.930 6.857 -27.924 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -0.277 8.039 -28.482 1.00 0.00 H new ATOM 0 HB3 ALA A 102 0.422 8.183 -26.852 1.00 0.00 H new TER 1602 ALA A 102