USER MOD reduce.3.24.130724 H: found=0, std=0, add=1021, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1024 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 8 LYS NZ :NH3+ 139:sc= 0.0596 (180deg=0) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 39:sc= 0.00134 USER MOD Single : A 12 LYS NZ :NH3+ -147:sc= -1.35 (180deg=-3.05!) USER MOD Single : A 16 LYS NZ :NH3+ 163:sc= -0.28 (180deg=-0.672) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.179 X(o=-0.18,f=-0.34) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= -1.98 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -1:sc= 0.271 USER MOD Single : A 35 ASN : amide:sc= -0.142 X(o=-0.14,f=-0.0058) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 152:sc= 0.105 (180deg=0.00392) USER MOD Single : A 42 TYR OH : rot 130:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 145:sc= 1.22 (180deg=-0.373) USER MOD Single : A 49 LYS NZ :NH3+ -129:sc= 0 (180deg=-1.81!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.132 USER MOD Single : A 62 TYR OH : rot -88:sc= -2.72 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc=0.000608 X(o=0.00061,f=-0.003) USER MOD Single : A 79 TYR OH : rot -104:sc= 1.23 USER MOD Single : A 84 MET CE :methyl 172:sc= -2.87! (180deg=-3.1) USER MOD Single : A 97 ASN : amide:sc= -4.22! C(o=-4.2!,f=-6.2!) USER MOD Single : A 100 TYR OH : rot 30:sc= -0.332 USER MOD Single : A 101 ASN : amide:sc= -2.71 X(o=-2.7,f=-2.2!) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot -66:sc= 1.17 USER MOD Single : A 112 LYS NZ :NH3+ 177:sc=-0.00169 (180deg=-0.00934) USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 GLN : amide:sc= -0.0141 K(o=-0.014,f=-0.57) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 ASN : amide:sc= -0.0791 X(o=-0.079,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 8 7.686 -0.192 -25.076 1.00 0.00 N ATOM 2 CA LYS A 8 7.833 -1.538 -24.464 1.00 0.00 C ATOM 3 C LYS A 8 6.559 -1.954 -23.736 1.00 0.00 C ATOM 4 O LYS A 8 5.694 -1.125 -23.454 1.00 0.00 O ATOM 5 CB LYS A 8 9.013 -1.503 -23.489 1.00 0.00 C ATOM 6 CG LYS A 8 9.834 -2.782 -23.481 1.00 0.00 C ATOM 7 CD LYS A 8 10.346 -3.108 -22.088 1.00 0.00 C ATOM 8 CE LYS A 8 10.628 -4.593 -21.930 1.00 0.00 C ATOM 9 NZ LYS A 8 9.522 -5.296 -21.224 1.00 0.00 N ATOM 0 HA LYS A 8 8.016 -2.271 -25.249 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.662 -0.666 -23.747 1.00 0.00 H new ATOM 0 HB3 LYS A 8 8.637 -1.316 -22.483 1.00 0.00 H new ATOM 0 HG2 LYS A 8 9.225 -3.608 -23.848 1.00 0.00 H new ATOM 0 HG3 LYS A 8 10.677 -2.679 -24.164 1.00 0.00 H new ATOM 0 HD2 LYS A 8 11.256 -2.541 -21.892 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.610 -2.796 -21.347 1.00 0.00 H new ATOM 0 HE2 LYS A 8 10.774 -5.041 -22.913 1.00 0.00 H new ATOM 0 HE3 LYS A 8 11.557 -4.729 -21.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.346 -6.213 -21.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.787 -5.450 -20.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.659 -4.717 -21.266 1.00 0.00 H new ATOM 25 N MET A 9 6.450 -3.244 -23.435 1.00 0.00 N ATOM 26 CA MET A 9 5.281 -3.771 -22.740 1.00 0.00 C ATOM 27 C MET A 9 5.485 -3.738 -21.229 1.00 0.00 C ATOM 28 O MET A 9 6.522 -4.168 -20.723 1.00 0.00 O ATOM 29 CB MET A 9 4.994 -5.202 -23.197 1.00 0.00 C ATOM 30 CG MET A 9 3.523 -5.580 -23.126 1.00 0.00 C ATOM 31 SD MET A 9 2.617 -5.129 -24.620 1.00 0.00 S ATOM 32 CE MET A 9 2.985 -6.527 -25.675 1.00 0.00 C ATOM 0 H MET A 9 7.157 -3.944 -23.661 1.00 0.00 H new ATOM 0 HA MET A 9 4.427 -3.140 -22.986 1.00 0.00 H new ATOM 0 HB2 MET A 9 5.343 -5.324 -24.222 1.00 0.00 H new ATOM 0 HB3 MET A 9 5.568 -5.894 -22.581 1.00 0.00 H new ATOM 0 HG2 MET A 9 3.435 -6.654 -22.963 1.00 0.00 H new ATOM 0 HG3 MET A 9 3.067 -5.089 -22.267 1.00 0.00 H new ATOM 0 HE1 MET A 9 2.494 -6.395 -26.639 1.00 0.00 H new ATOM 0 HE2 MET A 9 4.063 -6.597 -25.824 1.00 0.00 H new ATOM 0 HE3 MET A 9 2.623 -7.442 -25.206 1.00 0.00 H new ATOM 42 N SER A 10 4.490 -3.226 -20.513 1.00 0.00 N ATOM 43 CA SER A 10 4.560 -3.136 -19.059 1.00 0.00 C ATOM 44 C SER A 10 3.388 -3.865 -18.409 1.00 0.00 C ATOM 45 O SER A 10 2.236 -3.685 -18.804 1.00 0.00 O ATOM 46 CB SER A 10 4.569 -1.670 -18.619 1.00 0.00 C ATOM 47 OG SER A 10 3.603 -0.918 -19.331 1.00 0.00 O ATOM 0 H SER A 10 3.625 -2.867 -20.916 1.00 0.00 H new ATOM 0 HA SER A 10 5.485 -3.613 -18.735 1.00 0.00 H new ATOM 0 HB2 SER A 10 4.368 -1.607 -17.550 1.00 0.00 H new ATOM 0 HB3 SER A 10 5.559 -1.244 -18.783 1.00 0.00 H new ATOM 0 HG SER A 10 2.790 -1.454 -19.445 1.00 0.00 H new ATOM 53 N GLU A 11 3.690 -4.689 -17.411 1.00 0.00 N ATOM 54 CA GLU A 11 2.661 -5.446 -16.705 1.00 0.00 C ATOM 55 C GLU A 11 2.178 -4.687 -15.473 1.00 0.00 C ATOM 56 O GLU A 11 2.953 -3.995 -14.815 1.00 0.00 O ATOM 57 CB GLU A 11 3.196 -6.819 -16.296 1.00 0.00 C ATOM 58 CG GLU A 11 4.336 -6.754 -15.292 1.00 0.00 C ATOM 59 CD GLU A 11 5.204 -7.997 -15.314 1.00 0.00 C ATOM 60 OE1 GLU A 11 5.936 -8.193 -16.308 1.00 0.00 O ATOM 61 OE2 GLU A 11 5.152 -8.776 -14.339 1.00 0.00 O ATOM 0 H GLU A 11 4.639 -4.850 -17.072 1.00 0.00 H new ATOM 0 HA GLU A 11 1.817 -5.581 -17.381 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.381 -7.405 -15.871 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.537 -7.347 -17.187 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.953 -5.881 -15.504 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.926 -6.619 -14.291 1.00 0.00 H new ATOM 68 N LYS A 12 0.891 -4.824 -15.166 1.00 0.00 N ATOM 69 CA LYS A 12 0.305 -4.152 -14.013 1.00 0.00 C ATOM 70 C LYS A 12 -0.737 -5.037 -13.338 1.00 0.00 C ATOM 71 O LYS A 12 -1.540 -5.688 -14.007 1.00 0.00 O ATOM 72 CB LYS A 12 -0.333 -2.827 -14.436 1.00 0.00 C ATOM 73 CG LYS A 12 0.673 -1.788 -14.903 1.00 0.00 C ATOM 74 CD LYS A 12 0.101 -0.915 -16.007 1.00 0.00 C ATOM 75 CE LYS A 12 -0.976 0.018 -15.478 1.00 0.00 C ATOM 76 NZ LYS A 12 -2.233 -0.711 -15.153 1.00 0.00 N ATOM 0 H LYS A 12 0.235 -5.394 -15.700 1.00 0.00 H new ATOM 0 HA LYS A 12 1.103 -3.951 -13.299 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.046 -3.017 -15.239 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -0.898 -2.422 -13.597 1.00 0.00 H new ATOM 0 HG2 LYS A 12 0.970 -1.163 -14.061 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.573 -2.287 -15.262 1.00 0.00 H new ATOM 0 HD2 LYS A 12 0.901 -0.329 -16.460 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -0.316 -1.546 -16.792 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.610 0.526 -14.586 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.185 0.789 -16.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.050 -0.095 -15.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -2.302 -1.565 -15.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.227 -0.984 -14.149 1.00 0.00 H new ATOM 90 N LEU A 13 -0.722 -5.054 -12.008 1.00 0.00 N ATOM 91 CA LEU A 13 -1.669 -5.856 -11.243 1.00 0.00 C ATOM 92 C LEU A 13 -3.013 -5.144 -11.127 1.00 0.00 C ATOM 93 O LEU A 13 -3.069 -3.920 -11.013 1.00 0.00 O ATOM 94 CB LEU A 13 -1.112 -6.150 -9.848 1.00 0.00 C ATOM 95 CG LEU A 13 -2.050 -6.932 -8.927 1.00 0.00 C ATOM 96 CD1 LEU A 13 -1.966 -8.422 -9.220 1.00 0.00 C ATOM 97 CD2 LEU A 13 -1.718 -6.654 -7.467 1.00 0.00 C ATOM 0 H LEU A 13 -0.064 -4.521 -11.439 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.820 -6.797 -11.771 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.183 -6.710 -9.955 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.861 -5.205 -9.367 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.072 -6.602 -9.116 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.640 -8.962 -8.555 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.253 -8.606 -10.255 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.945 -8.767 -9.060 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.395 -7.219 -6.826 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.690 -6.955 -7.264 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.831 -5.589 -7.265 1.00 0.00 H new ATOM 109 N ARG A 14 -4.093 -5.917 -11.158 1.00 0.00 N ATOM 110 CA ARG A 14 -5.435 -5.355 -11.058 1.00 0.00 C ATOM 111 C ARG A 14 -5.661 -4.720 -9.690 1.00 0.00 C ATOM 112 O ARG A 14 -5.906 -5.413 -8.704 1.00 0.00 O ATOM 113 CB ARG A 14 -6.488 -6.434 -11.309 1.00 0.00 C ATOM 114 CG ARG A 14 -6.261 -7.220 -12.590 1.00 0.00 C ATOM 115 CD ARG A 14 -6.794 -8.639 -12.475 1.00 0.00 C ATOM 116 NE ARG A 14 -6.376 -9.474 -13.601 1.00 0.00 N ATOM 117 CZ ARG A 14 -6.587 -10.786 -13.670 1.00 0.00 C ATOM 118 NH1 ARG A 14 -7.210 -11.418 -12.683 1.00 0.00 N ATOM 119 NH2 ARG A 14 -6.175 -11.468 -14.730 1.00 0.00 N ATOM 0 H ARG A 14 -4.066 -6.932 -11.251 1.00 0.00 H new ATOM 0 HA ARG A 14 -5.530 -4.581 -11.820 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -6.497 -7.125 -10.466 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -7.472 -5.967 -11.349 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -6.751 -6.713 -13.421 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -5.195 -7.248 -12.817 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -6.443 -9.084 -11.544 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.883 -8.615 -12.426 1.00 0.00 H new ATOM 0 HE ARG A 14 -5.894 -9.024 -14.379 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -7.530 -10.898 -11.866 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -7.369 -12.424 -12.742 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -5.697 -10.987 -15.492 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -6.336 -12.474 -14.784 1.00 0.00 H new ATOM 133 N ILE A 15 -5.576 -3.397 -9.641 1.00 0.00 N ATOM 134 CA ILE A 15 -5.769 -2.661 -8.401 1.00 0.00 C ATOM 135 C ILE A 15 -6.586 -1.396 -8.644 1.00 0.00 C ATOM 136 O ILE A 15 -6.127 -0.466 -9.307 1.00 0.00 O ATOM 137 CB ILE A 15 -4.417 -2.277 -7.772 1.00 0.00 C ATOM 138 CG1 ILE A 15 -3.521 -3.509 -7.647 1.00 0.00 C ATOM 139 CG2 ILE A 15 -4.626 -1.626 -6.412 1.00 0.00 C ATOM 140 CD1 ILE A 15 -2.131 -3.197 -7.138 1.00 0.00 C ATOM 0 H ILE A 15 -5.374 -2.810 -10.450 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.310 -3.313 -7.715 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.924 -1.556 -8.423 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.993 -4.225 -6.974 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.442 -3.991 -8.621 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.660 -1.362 -5.983 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.230 -0.726 -6.528 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.138 -2.324 -5.750 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.551 -4.118 -7.075 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.640 -2.505 -7.822 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.199 -2.742 -6.150 1.00 0.00 H new ATOM 152 N LYS A 16 -7.801 -1.368 -8.105 1.00 0.00 N ATOM 153 CA LYS A 16 -8.682 -0.217 -8.267 1.00 0.00 C ATOM 154 C LYS A 16 -9.117 0.326 -6.910 1.00 0.00 C ATOM 155 O LYS A 16 -9.881 -0.317 -6.190 1.00 0.00 O ATOM 156 CB LYS A 16 -9.911 -0.600 -9.094 1.00 0.00 C ATOM 157 CG LYS A 16 -9.578 -1.040 -10.511 1.00 0.00 C ATOM 158 CD LYS A 16 -10.633 -1.985 -11.063 1.00 0.00 C ATOM 159 CE LYS A 16 -10.272 -3.438 -10.800 1.00 0.00 C ATOM 160 NZ LYS A 16 -10.512 -3.824 -9.382 1.00 0.00 N ATOM 0 H LYS A 16 -8.197 -2.129 -7.553 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.130 0.562 -8.792 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.443 -1.406 -8.588 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.590 0.252 -9.137 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.499 -0.165 -11.156 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.606 -1.532 -10.521 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.598 -1.761 -10.608 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.741 -1.824 -12.136 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.859 -4.082 -11.455 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.223 -3.602 -11.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.534 -4.861 -9.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.747 -3.448 -8.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -11.422 -3.433 -9.065 1.00 0.00 H new ATOM 174 N VAL A 17 -8.625 1.511 -6.568 1.00 0.00 N ATOM 175 CA VAL A 17 -8.963 2.138 -5.295 1.00 0.00 C ATOM 176 C VAL A 17 -9.910 3.315 -5.498 1.00 0.00 C ATOM 177 O VAL A 17 -9.495 4.391 -5.931 1.00 0.00 O ATOM 178 CB VAL A 17 -7.707 2.630 -4.545 1.00 0.00 C ATOM 179 CG1 VAL A 17 -7.959 2.649 -3.046 1.00 0.00 C ATOM 180 CG2 VAL A 17 -6.501 1.761 -4.875 1.00 0.00 C ATOM 0 H VAL A 17 -7.992 2.056 -7.153 1.00 0.00 H new ATOM 0 HA VAL A 17 -9.454 1.373 -4.693 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.490 3.646 -4.873 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.064 2.998 -2.531 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -8.790 3.319 -2.825 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.204 1.643 -2.706 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.629 2.128 -4.334 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.703 0.731 -4.581 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.306 1.801 -5.947 1.00 0.00 H new ATOM 190 N ASP A 18 -11.183 3.105 -5.183 1.00 0.00 N ATOM 191 CA ASP A 18 -12.190 4.149 -5.331 1.00 0.00 C ATOM 192 C ASP A 18 -13.079 4.228 -4.094 1.00 0.00 C ATOM 193 O ASP A 18 -14.240 4.633 -4.176 1.00 0.00 O ATOM 194 CB ASP A 18 -13.046 3.889 -6.573 1.00 0.00 C ATOM 195 CG ASP A 18 -12.242 3.974 -7.855 1.00 0.00 C ATOM 196 OD1 ASP A 18 -11.429 4.914 -7.987 1.00 0.00 O ATOM 197 OD2 ASP A 18 -12.425 3.100 -8.729 1.00 0.00 O ATOM 0 H ASP A 18 -11.542 2.221 -4.823 1.00 0.00 H new ATOM 0 HA ASP A 18 -11.674 5.102 -5.446 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -13.501 2.902 -6.497 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -13.860 4.613 -6.609 1.00 0.00 H new ATOM 202 N ASP A 19 -12.529 3.840 -2.947 1.00 0.00 N ATOM 203 CA ASP A 19 -13.274 3.870 -1.693 1.00 0.00 C ATOM 204 C ASP A 19 -12.415 4.425 -0.562 1.00 0.00 C ATOM 205 O ASP A 19 -11.197 4.246 -0.549 1.00 0.00 O ATOM 206 CB ASP A 19 -13.769 2.465 -1.336 1.00 0.00 C ATOM 207 CG ASP A 19 -15.268 2.321 -1.503 1.00 0.00 C ATOM 208 OD1 ASP A 19 -15.753 2.439 -2.648 1.00 0.00 O ATOM 209 OD2 ASP A 19 -15.959 2.088 -0.487 1.00 0.00 O ATOM 0 H ASP A 19 -11.571 3.501 -2.860 1.00 0.00 H new ATOM 0 HA ASP A 19 -14.134 4.527 -1.825 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -13.264 1.734 -1.967 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -13.498 2.238 -0.305 1.00 0.00 H new ATOM 214 N VAL A 20 -13.057 5.100 0.385 1.00 0.00 N ATOM 215 CA VAL A 20 -12.353 5.683 1.520 1.00 0.00 C ATOM 216 C VAL A 20 -13.251 5.746 2.749 1.00 0.00 C ATOM 217 O VAL A 20 -14.300 6.392 2.731 1.00 0.00 O ATOM 218 CB VAL A 20 -11.841 7.099 1.197 1.00 0.00 C ATOM 219 CG1 VAL A 20 -10.943 7.611 2.313 1.00 0.00 C ATOM 220 CG2 VAL A 20 -11.108 7.111 -0.136 1.00 0.00 C ATOM 0 H VAL A 20 -14.065 5.257 0.389 1.00 0.00 H new ATOM 0 HA VAL A 20 -11.500 5.037 1.729 1.00 0.00 H new ATOM 0 HB VAL A 20 -12.699 7.766 1.119 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.591 8.613 2.066 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.505 7.643 3.246 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -10.088 6.944 2.427 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -10.754 8.120 -0.347 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -10.258 6.430 -0.090 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -11.786 6.792 -0.927 1.00 0.00 H new ATOM 230 N LYS A 21 -12.835 5.071 3.816 1.00 0.00 N ATOM 231 CA LYS A 21 -13.604 5.049 5.055 1.00 0.00 C ATOM 232 C LYS A 21 -13.033 6.035 6.070 1.00 0.00 C ATOM 233 O LYS A 21 -11.957 5.814 6.626 1.00 0.00 O ATOM 234 CB LYS A 21 -13.613 3.639 5.647 1.00 0.00 C ATOM 235 CG LYS A 21 -14.616 3.458 6.775 1.00 0.00 C ATOM 236 CD LYS A 21 -14.386 2.154 7.522 1.00 0.00 C ATOM 237 CE LYS A 21 -15.500 1.877 8.518 1.00 0.00 C ATOM 238 NZ LYS A 21 -15.952 0.458 8.467 1.00 0.00 N ATOM 0 H LYS A 21 -11.970 4.532 3.847 1.00 0.00 H new ATOM 0 HA LYS A 21 -14.627 5.347 4.824 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -13.836 2.923 4.856 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.615 3.404 6.018 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -14.539 4.295 7.469 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -15.628 3.473 6.369 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -14.322 1.332 6.809 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -13.431 2.197 8.046 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.153 2.111 9.524 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.344 2.534 8.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -16.712 0.311 9.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -16.307 0.241 7.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -15.153 -0.169 8.690 1.00 0.00 H new ATOM 252 N ILE A 22 -13.759 7.123 6.306 1.00 0.00 N ATOM 253 CA ILE A 22 -13.327 8.140 7.253 1.00 0.00 C ATOM 254 C ILE A 22 -13.575 7.693 8.689 1.00 0.00 C ATOM 255 O ILE A 22 -14.713 7.681 9.157 1.00 0.00 O ATOM 256 CB ILE A 22 -14.056 9.476 7.014 1.00 0.00 C ATOM 257 CG1 ILE A 22 -14.027 9.844 5.527 1.00 0.00 C ATOM 258 CG2 ILE A 22 -13.429 10.575 7.853 1.00 0.00 C ATOM 259 CD1 ILE A 22 -12.651 10.220 5.019 1.00 0.00 C ATOM 0 H ILE A 22 -14.651 7.322 5.852 1.00 0.00 H new ATOM 0 HA ILE A 22 -12.258 8.283 7.097 1.00 0.00 H new ATOM 0 HB ILE A 22 -15.097 9.365 7.316 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -14.401 9.001 4.946 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -14.708 10.677 5.355 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -13.954 11.513 7.674 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -13.502 10.314 8.909 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -12.380 10.688 7.579 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -12.710 10.468 3.959 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -12.282 11.083 5.573 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -11.970 9.381 5.158 1.00 0.00 H new ATOM 271 N ASN A 23 -12.504 7.324 9.384 1.00 0.00 N ATOM 272 CA ASN A 23 -12.611 6.876 10.767 1.00 0.00 C ATOM 273 C ASN A 23 -12.185 7.983 11.732 1.00 0.00 C ATOM 274 O ASN A 23 -11.252 8.735 11.453 1.00 0.00 O ATOM 275 CB ASN A 23 -11.752 5.629 10.989 1.00 0.00 C ATOM 276 CG ASN A 23 -12.489 4.549 11.756 1.00 0.00 C ATOM 277 OD1 ASN A 23 -13.594 4.153 11.385 1.00 0.00 O ATOM 278 ND2 ASN A 23 -11.878 4.066 12.832 1.00 0.00 N ATOM 0 H ASN A 23 -11.554 7.326 9.013 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.654 6.629 10.964 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -11.434 5.233 10.024 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -10.849 5.905 11.533 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -12.325 3.337 13.388 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -10.962 4.424 13.102 1.00 0.00 H new ATOM 285 N PRO A 24 -12.867 8.097 12.886 1.00 0.00 N ATOM 286 CA PRO A 24 -12.551 9.120 13.890 1.00 0.00 C ATOM 287 C PRO A 24 -11.078 9.110 14.288 1.00 0.00 C ATOM 288 O PRO A 24 -10.546 10.115 14.758 1.00 0.00 O ATOM 289 CB PRO A 24 -13.427 8.733 15.084 1.00 0.00 C ATOM 290 CG PRO A 24 -14.561 7.971 14.490 1.00 0.00 C ATOM 291 CD PRO A 24 -13.995 7.243 13.303 1.00 0.00 C ATOM 0 HA PRO A 24 -12.738 10.126 13.515 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -12.874 8.126 15.800 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -13.780 9.615 15.619 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -14.982 7.271 15.212 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -15.366 8.641 14.189 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -13.663 6.239 13.568 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -14.733 7.135 12.508 1.00 0.00 H new ATOM 299 N LYS A 25 -10.426 7.967 14.099 1.00 0.00 N ATOM 300 CA LYS A 25 -9.018 7.826 14.442 1.00 0.00 C ATOM 301 C LYS A 25 -8.135 8.124 13.227 1.00 0.00 C ATOM 302 O LYS A 25 -7.061 8.712 13.361 1.00 0.00 O ATOM 303 CB LYS A 25 -8.759 6.414 14.992 1.00 0.00 C ATOM 304 CG LYS A 25 -7.431 5.803 14.579 1.00 0.00 C ATOM 305 CD LYS A 25 -6.944 4.780 15.596 1.00 0.00 C ATOM 306 CE LYS A 25 -5.537 5.095 16.077 1.00 0.00 C ATOM 307 NZ LYS A 25 -5.034 4.072 17.035 1.00 0.00 N ATOM 0 H LYS A 25 -10.852 7.126 13.710 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.762 8.549 15.216 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.804 6.450 16.081 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.564 5.757 14.661 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.537 5.326 13.605 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.686 6.591 14.469 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.624 4.760 16.447 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.963 3.786 15.150 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.865 5.151 15.221 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.528 6.075 16.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.072 4.324 17.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.660 4.035 17.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.018 3.141 16.572 1.00 0.00 H new ATOM 321 N TYR A 26 -8.599 7.730 12.045 1.00 0.00 N ATOM 322 CA TYR A 26 -7.856 7.971 10.810 1.00 0.00 C ATOM 323 C TYR A 26 -8.683 7.584 9.586 1.00 0.00 C ATOM 324 O TYR A 26 -9.665 6.850 9.692 1.00 0.00 O ATOM 325 CB TYR A 26 -6.523 7.214 10.807 1.00 0.00 C ATOM 326 CG TYR A 26 -6.579 5.827 11.413 1.00 0.00 C ATOM 327 CD1 TYR A 26 -7.654 4.978 11.174 1.00 0.00 C ATOM 328 CD2 TYR A 26 -5.546 5.363 12.218 1.00 0.00 C ATOM 329 CE1 TYR A 26 -7.699 3.711 11.723 1.00 0.00 C ATOM 330 CE2 TYR A 26 -5.583 4.095 12.769 1.00 0.00 C ATOM 331 CZ TYR A 26 -6.661 3.275 12.519 1.00 0.00 C ATOM 332 OH TYR A 26 -6.702 2.013 13.067 1.00 0.00 O ATOM 0 H TYR A 26 -9.486 7.243 11.915 1.00 0.00 H new ATOM 0 HA TYR A 26 -7.645 9.039 10.761 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.170 7.132 9.779 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -5.785 7.804 11.351 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -8.468 5.315 10.549 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.700 6.004 12.417 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -8.543 3.065 11.530 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -4.771 3.750 13.392 1.00 0.00 H new ATOM 0 HH TYR A 26 -5.894 1.861 13.600 1.00 0.00 H new ATOM 342 N VAL A 27 -8.280 8.091 8.425 1.00 0.00 N ATOM 343 CA VAL A 27 -8.984 7.806 7.179 1.00 0.00 C ATOM 344 C VAL A 27 -8.390 6.589 6.477 1.00 0.00 C ATOM 345 O VAL A 27 -7.200 6.560 6.165 1.00 0.00 O ATOM 346 CB VAL A 27 -8.935 9.009 6.219 1.00 0.00 C ATOM 347 CG1 VAL A 27 -9.839 8.774 5.018 1.00 0.00 C ATOM 348 CG2 VAL A 27 -9.323 10.288 6.942 1.00 0.00 C ATOM 0 H VAL A 27 -7.469 8.701 8.321 1.00 0.00 H new ATOM 0 HA VAL A 27 -10.022 7.601 7.443 1.00 0.00 H new ATOM 0 HB VAL A 27 -7.912 9.118 5.859 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.790 9.635 4.352 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -9.510 7.883 4.484 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.866 8.635 5.357 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -9.282 11.126 6.246 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -10.335 10.191 7.334 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -8.630 10.465 7.765 1.00 0.00 H new ATOM 358 N LEU A 28 -9.228 5.589 6.227 1.00 0.00 N ATOM 359 CA LEU A 28 -8.788 4.372 5.558 1.00 0.00 C ATOM 360 C LEU A 28 -9.125 4.418 4.072 1.00 0.00 C ATOM 361 O LEU A 28 -9.991 5.181 3.646 1.00 0.00 O ATOM 362 CB LEU A 28 -9.433 3.144 6.204 1.00 0.00 C ATOM 363 CG LEU A 28 -9.146 2.971 7.698 1.00 0.00 C ATOM 364 CD1 LEU A 28 -9.647 1.620 8.183 1.00 0.00 C ATOM 365 CD2 LEU A 28 -7.657 3.122 7.977 1.00 0.00 C ATOM 0 H LEU A 28 -10.217 5.598 6.478 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.706 4.300 5.665 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.512 3.202 6.061 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.089 2.253 5.678 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.677 3.751 8.244 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.435 1.514 9.247 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.722 1.550 8.019 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.144 0.826 7.632 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.472 2.996 9.044 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.104 2.365 7.421 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.327 4.113 7.666 1.00 0.00 H new ATOM 377 N TYR A 29 -8.431 3.601 3.287 1.00 0.00 N ATOM 378 CA TYR A 29 -8.654 3.554 1.847 1.00 0.00 C ATOM 379 C TYR A 29 -9.103 2.165 1.406 1.00 0.00 C ATOM 380 O TYR A 29 -8.500 1.160 1.777 1.00 0.00 O ATOM 381 CB TYR A 29 -7.377 3.945 1.102 1.00 0.00 C ATOM 382 CG TYR A 29 -7.150 5.437 1.035 1.00 0.00 C ATOM 383 CD1 TYR A 29 -6.694 6.141 2.141 1.00 0.00 C ATOM 384 CD2 TYR A 29 -7.393 6.142 -0.137 1.00 0.00 C ATOM 385 CE1 TYR A 29 -6.486 7.505 2.084 1.00 0.00 C ATOM 386 CE2 TYR A 29 -7.186 7.506 -0.205 1.00 0.00 C ATOM 387 CZ TYR A 29 -6.732 8.183 0.908 1.00 0.00 C ATOM 388 OH TYR A 29 -6.524 9.542 0.844 1.00 0.00 O ATOM 0 H TYR A 29 -7.710 2.963 3.624 1.00 0.00 H new ATOM 0 HA TYR A 29 -9.445 4.264 1.606 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.523 3.477 1.592 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -7.421 3.546 0.088 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.498 5.613 3.062 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -7.750 5.615 -1.010 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.133 8.038 2.955 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -7.378 8.039 -1.124 1.00 0.00 H new ATOM 0 HH TYR A 29 -6.744 9.865 -0.055 1.00 0.00 H new ATOM 398 N GLY A 30 -10.158 2.121 0.602 1.00 0.00 N ATOM 399 CA GLY A 30 -10.665 0.853 0.115 1.00 0.00 C ATOM 400 C GLY A 30 -9.953 0.402 -1.145 1.00 0.00 C ATOM 401 O GLY A 30 -10.370 0.736 -2.253 1.00 0.00 O ATOM 0 H GLY A 30 -10.671 2.941 0.279 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.547 0.094 0.889 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.733 0.942 -0.084 1.00 0.00 H new ATOM 405 N VAL A 31 -8.874 -0.354 -0.972 1.00 0.00 N ATOM 406 CA VAL A 31 -8.097 -0.842 -2.105 1.00 0.00 C ATOM 407 C VAL A 31 -8.657 -2.157 -2.631 1.00 0.00 C ATOM 408 O VAL A 31 -8.631 -3.178 -1.943 1.00 0.00 O ATOM 409 CB VAL A 31 -6.617 -1.040 -1.728 1.00 0.00 C ATOM 410 CG1 VAL A 31 -5.794 -1.397 -2.958 1.00 0.00 C ATOM 411 CG2 VAL A 31 -6.064 0.208 -1.053 1.00 0.00 C ATOM 0 H VAL A 31 -8.518 -0.641 -0.060 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.167 -0.084 -2.885 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.551 -1.867 -1.021 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.751 -1.533 -2.671 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.174 -2.321 -3.394 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.867 -0.593 -3.691 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.017 0.048 -0.794 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.144 1.056 -1.734 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.634 0.415 -0.147 1.00 0.00 H new ATOM 421 N SER A 32 -9.163 -2.121 -3.858 1.00 0.00 N ATOM 422 CA SER A 32 -9.733 -3.307 -4.488 1.00 0.00 C ATOM 423 C SER A 32 -8.657 -4.119 -5.202 1.00 0.00 C ATOM 424 O SER A 32 -7.820 -3.566 -5.917 1.00 0.00 O ATOM 425 CB SER A 32 -10.826 -2.907 -5.479 1.00 0.00 C ATOM 426 OG SER A 32 -11.902 -3.829 -5.453 1.00 0.00 O ATOM 0 H SER A 32 -9.190 -1.282 -4.438 1.00 0.00 H new ATOM 0 HA SER A 32 -10.169 -3.927 -3.705 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.192 -1.909 -5.238 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.409 -2.859 -6.485 1.00 0.00 H new ATOM 0 HG SER A 32 -12.588 -3.549 -6.094 1.00 0.00 H new ATOM 432 N THR A 33 -8.683 -5.434 -5.004 1.00 0.00 N ATOM 433 CA THR A 33 -7.707 -6.319 -5.629 1.00 0.00 C ATOM 434 C THR A 33 -8.262 -7.736 -5.758 1.00 0.00 C ATOM 435 O THR A 33 -9.244 -8.087 -5.105 1.00 0.00 O ATOM 436 CB THR A 33 -6.415 -6.331 -4.813 1.00 0.00 C ATOM 437 OG1 THR A 33 -6.691 -6.545 -3.440 1.00 0.00 O ATOM 438 CG2 THR A 33 -5.629 -5.044 -4.927 1.00 0.00 C ATOM 0 H THR A 33 -9.368 -5.909 -4.417 1.00 0.00 H new ATOM 0 HA THR A 33 -7.494 -5.944 -6.630 1.00 0.00 H new ATOM 0 HB THR A 33 -5.817 -7.144 -5.226 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.659 -6.628 -3.310 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.723 -5.116 -4.325 1.00 0.00 H new ATOM 0 HG22 THR A 33 -5.359 -4.874 -5.969 1.00 0.00 H new ATOM 0 HG23 THR A 33 -6.237 -4.213 -4.569 1.00 0.00 H new ATOM 446 N PRO A 34 -7.641 -8.575 -6.608 1.00 0.00 N ATOM 447 CA PRO A 34 -8.083 -9.957 -6.816 1.00 0.00 C ATOM 448 C PRO A 34 -8.355 -10.683 -5.503 1.00 0.00 C ATOM 449 O PRO A 34 -9.182 -11.593 -5.444 1.00 0.00 O ATOM 450 CB PRO A 34 -6.903 -10.593 -7.549 1.00 0.00 C ATOM 451 CG PRO A 34 -6.275 -9.466 -8.293 1.00 0.00 C ATOM 452 CD PRO A 34 -6.462 -8.242 -7.435 1.00 0.00 C ATOM 0 HA PRO A 34 -9.023 -10.010 -7.365 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -6.201 -11.048 -6.851 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -7.234 -11.380 -8.226 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -5.217 -9.659 -8.472 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -6.744 -9.334 -9.268 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -5.584 -8.045 -6.820 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -6.634 -7.351 -8.039 1.00 0.00 H new ATOM 460 N ASN A 35 -7.659 -10.268 -4.450 1.00 0.00 N ATOM 461 CA ASN A 35 -7.830 -10.873 -3.135 1.00 0.00 C ATOM 462 C ASN A 35 -9.104 -10.363 -2.470 1.00 0.00 C ATOM 463 O ASN A 35 -9.751 -11.094 -1.724 1.00 0.00 O ATOM 464 CB ASN A 35 -6.619 -10.568 -2.250 1.00 0.00 C ATOM 465 CG ASN A 35 -5.611 -11.702 -2.237 1.00 0.00 C ATOM 466 OD1 ASN A 35 -4.454 -11.523 -2.614 1.00 0.00 O ATOM 467 ND2 ASN A 35 -6.049 -12.877 -1.801 1.00 0.00 N ATOM 0 H ASN A 35 -6.971 -9.515 -4.482 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.913 -11.952 -3.263 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.134 -9.658 -2.604 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.956 -10.374 -1.232 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.417 -13.677 -1.769 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -7.017 -12.980 -1.498 1.00 0.00 H new ATOM 474 N LYS A 36 -9.446 -9.102 -2.769 1.00 0.00 N ATOM 475 CA LYS A 36 -10.640 -8.420 -2.243 1.00 0.00 C ATOM 476 C LYS A 36 -10.299 -6.993 -1.829 1.00 0.00 C ATOM 477 O LYS A 36 -9.174 -6.533 -2.027 1.00 0.00 O ATOM 478 CB LYS A 36 -11.261 -9.163 -1.056 1.00 0.00 C ATOM 479 CG LYS A 36 -12.180 -10.294 -1.478 1.00 0.00 C ATOM 480 CD LYS A 36 -13.634 -9.851 -1.507 1.00 0.00 C ATOM 481 CE LYS A 36 -14.567 -10.973 -1.080 1.00 0.00 C ATOM 482 NZ LYS A 36 -14.962 -11.835 -2.228 1.00 0.00 N ATOM 0 H LYS A 36 -8.892 -8.516 -3.394 1.00 0.00 H new ATOM 0 HA LYS A 36 -11.375 -8.406 -3.048 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.465 -9.564 -0.429 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.822 -8.456 -0.445 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.888 -10.652 -2.465 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.068 -11.131 -0.789 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -13.768 -8.994 -0.847 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -13.895 -9.522 -2.513 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -14.078 -11.582 -0.320 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -15.460 -10.548 -0.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -15.598 -12.587 -1.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -15.452 -11.259 -2.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -14.113 -12.262 -2.650 1.00 0.00 H new ATOM 496 N ARG A 37 -11.275 -6.295 -1.257 1.00 0.00 N ATOM 497 CA ARG A 37 -11.070 -4.921 -0.818 1.00 0.00 C ATOM 498 C ARG A 37 -10.367 -4.886 0.534 1.00 0.00 C ATOM 499 O ARG A 37 -10.761 -5.583 1.469 1.00 0.00 O ATOM 500 CB ARG A 37 -12.407 -4.184 -0.729 1.00 0.00 C ATOM 501 CG ARG A 37 -12.330 -2.730 -1.165 1.00 0.00 C ATOM 502 CD ARG A 37 -12.959 -2.518 -2.535 1.00 0.00 C ATOM 503 NE ARG A 37 -14.028 -1.523 -2.497 1.00 0.00 N ATOM 504 CZ ARG A 37 -14.949 -1.389 -3.449 1.00 0.00 C ATOM 505 NH1 ARG A 37 -14.935 -2.181 -4.514 1.00 0.00 N ATOM 506 NH2 ARG A 37 -15.889 -0.459 -3.336 1.00 0.00 N ATOM 0 H ARG A 37 -12.213 -6.658 -1.087 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.438 -4.421 -1.552 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -13.140 -4.702 -1.348 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -12.769 -4.228 0.298 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -12.836 -2.103 -0.431 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.288 -2.413 -1.190 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -12.192 -2.200 -3.241 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -13.357 -3.464 -2.902 1.00 0.00 H new ATOM 0 HE ARG A 37 -14.071 -0.895 -1.695 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -14.215 -2.898 -4.607 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -15.644 -2.073 -5.239 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -15.906 0.153 -2.520 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -16.595 -0.356 -4.065 1.00 0.00 H new ATOM 520 N LEU A 38 -9.321 -4.075 0.627 1.00 0.00 N ATOM 521 CA LEU A 38 -8.556 -3.950 1.861 1.00 0.00 C ATOM 522 C LEU A 38 -8.527 -2.501 2.337 1.00 0.00 C ATOM 523 O LEU A 38 -8.289 -1.584 1.552 1.00 0.00 O ATOM 524 CB LEU A 38 -7.130 -4.463 1.649 1.00 0.00 C ATOM 525 CG LEU A 38 -6.494 -5.159 2.856 1.00 0.00 C ATOM 526 CD1 LEU A 38 -6.106 -4.140 3.914 1.00 0.00 C ATOM 527 CD2 LEU A 38 -7.438 -6.202 3.436 1.00 0.00 C ATOM 0 H LEU A 38 -8.982 -3.493 -0.139 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.042 -4.553 2.628 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.134 -5.159 0.810 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.499 -3.622 1.362 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.590 -5.668 2.521 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.656 -4.652 4.764 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.389 -3.434 3.494 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.994 -3.601 4.244 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.966 -6.684 4.292 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.362 -5.719 3.755 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.663 -6.951 2.677 1.00 0.00 H new ATOM 539 N TYR A 39 -8.776 -2.303 3.627 1.00 0.00 N ATOM 540 CA TYR A 39 -8.782 -0.966 4.207 1.00 0.00 C ATOM 541 C TYR A 39 -7.442 -0.650 4.868 1.00 0.00 C ATOM 542 O TYR A 39 -7.053 -1.292 5.843 1.00 0.00 O ATOM 543 CB TYR A 39 -9.912 -0.835 5.230 1.00 0.00 C ATOM 544 CG TYR A 39 -11.227 -0.393 4.628 1.00 0.00 C ATOM 545 CD1 TYR A 39 -11.358 0.861 4.044 1.00 0.00 C ATOM 546 CD2 TYR A 39 -12.336 -1.229 4.642 1.00 0.00 C ATOM 547 CE1 TYR A 39 -12.558 1.269 3.492 1.00 0.00 C ATOM 548 CE2 TYR A 39 -13.539 -0.829 4.093 1.00 0.00 C ATOM 549 CZ TYR A 39 -13.645 0.421 3.518 1.00 0.00 C ATOM 550 OH TYR A 39 -14.841 0.822 2.970 1.00 0.00 O ATOM 0 H TYR A 39 -8.976 -3.052 4.290 1.00 0.00 H new ATOM 0 HA TYR A 39 -8.946 -0.250 3.401 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -10.054 -1.795 5.727 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -9.615 -0.120 5.997 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -10.509 1.528 4.021 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -12.257 -2.209 5.090 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -12.644 2.247 3.043 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -14.392 -1.491 4.114 1.00 0.00 H new ATOM 0 HH TYR A 39 -15.503 0.107 3.071 1.00 0.00 H new ATOM 560 N LYS A 40 -6.745 0.346 4.329 1.00 0.00 N ATOM 561 CA LYS A 40 -5.450 0.750 4.863 1.00 0.00 C ATOM 562 C LYS A 40 -5.319 2.270 4.870 1.00 0.00 C ATOM 563 O LYS A 40 -6.192 2.980 4.371 1.00 0.00 O ATOM 564 CB LYS A 40 -4.318 0.132 4.041 1.00 0.00 C ATOM 565 CG LYS A 40 -3.948 -1.275 4.479 1.00 0.00 C ATOM 566 CD LYS A 40 -3.229 -1.271 5.818 1.00 0.00 C ATOM 567 CE LYS A 40 -3.655 -2.447 6.682 1.00 0.00 C ATOM 568 NZ LYS A 40 -2.536 -2.948 7.528 1.00 0.00 N ATOM 0 H LYS A 40 -7.056 0.888 3.523 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.379 0.390 5.889 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.611 0.112 2.991 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.437 0.770 4.114 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.849 -1.884 4.551 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.311 -1.736 3.724 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.152 -1.310 5.654 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.438 -0.338 6.342 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.486 -2.147 7.320 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.018 -3.253 6.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.921 -3.379 8.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.992 -3.660 6.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.912 -2.156 7.784 1.00 0.00 H new ATOM 582 N ARG A 41 -4.226 2.765 5.440 1.00 0.00 N ATOM 583 CA ARG A 41 -3.985 4.202 5.512 1.00 0.00 C ATOM 584 C ARG A 41 -2.688 4.575 4.800 1.00 0.00 C ATOM 585 O ARG A 41 -1.797 3.744 4.635 1.00 0.00 O ATOM 586 CB ARG A 41 -3.927 4.655 6.972 1.00 0.00 C ATOM 587 CG ARG A 41 -3.663 6.143 7.139 1.00 0.00 C ATOM 588 CD ARG A 41 -4.115 6.640 8.502 1.00 0.00 C ATOM 589 NE ARG A 41 -3.000 6.763 9.438 1.00 0.00 N ATOM 590 CZ ARG A 41 -2.154 7.790 9.452 1.00 0.00 C ATOM 591 NH1 ARG A 41 -2.290 8.784 8.582 1.00 0.00 N ATOM 592 NH2 ARG A 41 -1.168 7.824 10.338 1.00 0.00 N ATOM 0 H ARG A 41 -3.493 2.193 5.859 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.810 4.709 5.012 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.870 4.405 7.459 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.145 4.096 7.486 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -2.599 6.341 7.013 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -4.185 6.696 6.358 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.603 7.608 8.391 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.857 5.954 8.910 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.862 6.018 10.121 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.046 8.763 7.898 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.638 9.568 8.598 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.058 7.063 11.008 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.519 8.611 10.349 1.00 0.00 H new ATOM 606 N TYR A 42 -2.590 5.835 4.384 1.00 0.00 N ATOM 607 CA TYR A 42 -1.400 6.324 3.692 1.00 0.00 C ATOM 608 C TYR A 42 -0.152 6.086 4.537 1.00 0.00 C ATOM 609 O TYR A 42 0.812 5.464 4.084 1.00 0.00 O ATOM 610 CB TYR A 42 -1.544 7.815 3.381 1.00 0.00 C ATOM 611 CG TYR A 42 -0.637 8.293 2.269 1.00 0.00 C ATOM 612 CD1 TYR A 42 -0.946 8.039 0.939 1.00 0.00 C ATOM 613 CD2 TYR A 42 0.525 8.998 2.549 1.00 0.00 C ATOM 614 CE1 TYR A 42 -0.122 8.475 -0.081 1.00 0.00 C ATOM 615 CE2 TYR A 42 1.355 9.438 1.536 1.00 0.00 C ATOM 616 CZ TYR A 42 1.027 9.174 0.223 1.00 0.00 C ATOM 617 OH TYR A 42 1.852 9.610 -0.789 1.00 0.00 O ATOM 0 H TYR A 42 -3.320 6.536 4.514 1.00 0.00 H new ATOM 0 HA TYR A 42 -1.297 5.775 2.756 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.579 8.022 3.109 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -1.331 8.388 4.284 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -1.845 7.492 0.698 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.785 9.206 3.576 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -0.376 8.269 -1.110 1.00 0.00 H new ATOM 0 HE2 TYR A 42 2.256 9.986 1.771 1.00 0.00 H new ATOM 0 HH TYR A 42 2.052 10.561 -0.661 1.00 0.00 H new ATOM 627 N SER A 43 -0.182 6.576 5.773 1.00 0.00 N ATOM 628 CA SER A 43 0.940 6.407 6.688 1.00 0.00 C ATOM 629 C SER A 43 1.274 4.928 6.853 1.00 0.00 C ATOM 630 O SER A 43 2.404 4.568 7.186 1.00 0.00 O ATOM 631 CB SER A 43 0.616 7.027 8.048 1.00 0.00 C ATOM 632 OG SER A 43 1.747 7.684 8.593 1.00 0.00 O ATOM 0 H SER A 43 -0.970 7.093 6.163 1.00 0.00 H new ATOM 0 HA SER A 43 1.807 6.917 6.268 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.204 7.737 7.941 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.278 6.250 8.734 1.00 0.00 H new ATOM 0 HG SER A 43 1.512 8.073 9.461 1.00 0.00 H new ATOM 638 N GLU A 44 0.283 4.073 6.609 1.00 0.00 N ATOM 639 CA GLU A 44 0.471 2.633 6.719 1.00 0.00 C ATOM 640 C GLU A 44 1.385 2.132 5.608 1.00 0.00 C ATOM 641 O GLU A 44 2.225 1.260 5.826 1.00 0.00 O ATOM 642 CB GLU A 44 -0.878 1.913 6.658 1.00 0.00 C ATOM 643 CG GLU A 44 -1.002 0.770 7.652 1.00 0.00 C ATOM 644 CD GLU A 44 -1.336 1.248 9.052 1.00 0.00 C ATOM 645 OE1 GLU A 44 -2.411 1.860 9.229 1.00 0.00 O ATOM 646 OE2 GLU A 44 -0.525 1.010 9.970 1.00 0.00 O ATOM 0 H GLU A 44 -0.658 4.355 6.334 1.00 0.00 H new ATOM 0 HA GLU A 44 0.938 2.418 7.680 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.674 2.634 6.844 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.029 1.525 5.650 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.776 0.081 7.313 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.066 0.211 7.676 1.00 0.00 H new ATOM 653 N PHE A 45 1.220 2.699 4.415 1.00 0.00 N ATOM 654 CA PHE A 45 2.037 2.317 3.270 1.00 0.00 C ATOM 655 C PHE A 45 3.510 2.551 3.576 1.00 0.00 C ATOM 656 O PHE A 45 4.326 1.634 3.483 1.00 0.00 O ATOM 657 CB PHE A 45 1.626 3.112 2.029 1.00 0.00 C ATOM 658 CG PHE A 45 0.689 2.369 1.120 1.00 0.00 C ATOM 659 CD1 PHE A 45 -0.682 2.448 1.302 1.00 0.00 C ATOM 660 CD2 PHE A 45 1.180 1.592 0.083 1.00 0.00 C ATOM 661 CE1 PHE A 45 -1.546 1.766 0.467 1.00 0.00 C ATOM 662 CE2 PHE A 45 0.321 0.908 -0.755 1.00 0.00 C ATOM 663 CZ PHE A 45 -1.044 0.995 -0.563 1.00 0.00 C ATOM 0 H PHE A 45 0.529 3.423 4.218 1.00 0.00 H new ATOM 0 HA PHE A 45 1.880 1.257 3.071 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.152 4.041 2.344 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.521 3.384 1.470 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.080 3.050 2.106 1.00 0.00 H new ATOM 0 HD2 PHE A 45 2.246 1.520 -0.072 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.613 1.836 0.620 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.716 0.306 -1.560 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.717 0.461 -1.217 1.00 0.00 H new ATOM 673 N TRP A 46 3.841 3.779 3.957 1.00 0.00 N ATOM 674 CA TRP A 46 5.217 4.116 4.295 1.00 0.00 C ATOM 675 C TRP A 46 5.684 3.262 5.468 1.00 0.00 C ATOM 676 O TRP A 46 6.858 2.905 5.567 1.00 0.00 O ATOM 677 CB TRP A 46 5.338 5.603 4.637 1.00 0.00 C ATOM 678 CG TRP A 46 6.719 6.013 5.051 1.00 0.00 C ATOM 679 CD1 TRP A 46 7.880 5.323 4.843 1.00 0.00 C ATOM 680 CD2 TRP A 46 7.085 7.211 5.744 1.00 0.00 C ATOM 681 NE1 TRP A 46 8.942 6.015 5.372 1.00 0.00 N ATOM 682 CE2 TRP A 46 8.479 7.178 5.929 1.00 0.00 C ATOM 683 CE3 TRP A 46 6.367 8.307 6.227 1.00 0.00 C ATOM 684 CZ2 TRP A 46 9.169 8.200 6.576 1.00 0.00 C ATOM 685 CZ3 TRP A 46 7.051 9.321 6.868 1.00 0.00 C ATOM 686 CH2 TRP A 46 8.441 9.261 7.038 1.00 0.00 C ATOM 0 H TRP A 46 3.181 4.552 4.039 1.00 0.00 H new ATOM 0 HA TRP A 46 5.851 3.912 3.432 1.00 0.00 H new ATOM 0 HB2 TRP A 46 5.038 6.192 3.771 1.00 0.00 H new ATOM 0 HB3 TRP A 46 4.641 5.840 5.441 1.00 0.00 H new ATOM 0 HD1 TRP A 46 7.952 4.372 4.336 1.00 0.00 H new ATOM 0 HE1 TRP A 46 9.916 5.713 5.353 1.00 0.00 H new ATOM 0 HE3 TRP A 46 5.296 8.361 6.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 10.240 8.156 6.708 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 6.506 10.174 7.244 1.00 0.00 H new ATOM 0 HH2 TRP A 46 8.947 10.069 7.544 1.00 0.00 H new ATOM 697 N LYS A 47 4.747 2.923 6.350 1.00 0.00 N ATOM 698 CA LYS A 47 5.052 2.097 7.509 1.00 0.00 C ATOM 699 C LYS A 47 5.614 0.750 7.067 1.00 0.00 C ATOM 700 O LYS A 47 6.406 0.135 7.779 1.00 0.00 O ATOM 701 CB LYS A 47 3.796 1.890 8.359 1.00 0.00 C ATOM 702 CG LYS A 47 4.009 2.174 9.836 1.00 0.00 C ATOM 703 CD LYS A 47 2.821 1.718 10.668 1.00 0.00 C ATOM 704 CE LYS A 47 2.894 0.233 10.980 1.00 0.00 C ATOM 705 NZ LYS A 47 1.556 -0.416 10.911 1.00 0.00 N ATOM 0 H LYS A 47 3.770 3.209 6.282 1.00 0.00 H new ATOM 0 HA LYS A 47 5.803 2.609 8.111 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.003 2.536 7.984 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.452 0.862 8.241 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.911 1.667 10.179 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.169 3.242 9.983 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.789 2.285 11.599 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.897 1.933 10.132 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.570 -0.253 10.276 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.315 0.092 11.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.658 -1.383 10.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.137 -0.450 11.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.937 0.131 10.280 1.00 0.00 H new ATOM 719 N LEU A 48 5.202 0.302 5.884 1.00 0.00 N ATOM 720 CA LEU A 48 5.667 -0.969 5.342 1.00 0.00 C ATOM 721 C LEU A 48 6.924 -0.768 4.498 1.00 0.00 C ATOM 722 O LEU A 48 7.778 -1.649 4.417 1.00 0.00 O ATOM 723 CB LEU A 48 4.566 -1.617 4.496 1.00 0.00 C ATOM 724 CG LEU A 48 4.991 -2.862 3.716 1.00 0.00 C ATOM 725 CD1 LEU A 48 5.209 -4.032 4.660 1.00 0.00 C ATOM 726 CD2 LEU A 48 3.951 -3.209 2.662 1.00 0.00 C ATOM 0 H LEU A 48 4.547 0.802 5.283 1.00 0.00 H new ATOM 0 HA LEU A 48 5.911 -1.629 6.175 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.737 -1.884 5.151 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.189 -0.877 3.790 1.00 0.00 H new ATOM 0 HG LEU A 48 5.933 -2.650 3.211 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.511 -4.909 4.088 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.990 -3.780 5.377 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.283 -4.247 5.193 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.269 -4.097 2.116 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.994 -3.403 3.146 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.844 -2.375 1.968 1.00 0.00 H new ATOM 738 N LYS A 49 7.022 0.398 3.867 1.00 0.00 N ATOM 739 CA LYS A 49 8.165 0.726 3.021 1.00 0.00 C ATOM 740 C LYS A 49 9.484 0.553 3.770 1.00 0.00 C ATOM 741 O LYS A 49 10.249 -0.371 3.493 1.00 0.00 O ATOM 742 CB LYS A 49 8.044 2.163 2.511 1.00 0.00 C ATOM 743 CG LYS A 49 8.306 2.304 1.022 1.00 0.00 C ATOM 744 CD LYS A 49 8.289 3.760 0.589 1.00 0.00 C ATOM 745 CE LYS A 49 9.484 4.519 1.140 1.00 0.00 C ATOM 746 NZ LYS A 49 9.592 5.887 0.560 1.00 0.00 N ATOM 0 H LYS A 49 6.320 1.135 3.926 1.00 0.00 H new ATOM 0 HA LYS A 49 8.163 0.037 2.177 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.044 2.535 2.732 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.746 2.793 3.056 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.272 1.862 0.778 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.552 1.749 0.465 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.291 3.817 -0.500 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.368 4.232 0.931 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.399 4.591 2.224 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.397 3.962 0.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.556 6.036 0.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.911 5.988 -0.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.384 6.593 1.295 1.00 0.00 H new ATOM 760 N THR A 50 9.746 1.454 4.713 1.00 0.00 N ATOM 761 CA THR A 50 10.978 1.415 5.501 1.00 0.00 C ATOM 762 C THR A 50 11.284 0.001 5.990 1.00 0.00 C ATOM 763 O THR A 50 12.447 -0.366 6.161 1.00 0.00 O ATOM 764 CB THR A 50 10.885 2.380 6.690 1.00 0.00 C ATOM 765 OG1 THR A 50 11.775 1.996 7.723 1.00 0.00 O ATOM 766 CG2 THR A 50 9.498 2.473 7.291 1.00 0.00 C ATOM 0 H THR A 50 9.120 2.223 4.952 1.00 0.00 H new ATOM 0 HA THR A 50 11.796 1.730 4.853 1.00 0.00 H new ATOM 0 HB THR A 50 11.149 3.356 6.282 1.00 0.00 H new ATOM 0 HG1 THR A 50 11.700 2.626 8.470 1.00 0.00 H new ATOM 0 HG21 THR A 50 9.510 3.173 8.126 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.796 2.823 6.534 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.189 1.490 7.646 1.00 0.00 H new ATOM 774 N ARG A 51 10.242 -0.796 6.197 1.00 0.00 N ATOM 775 CA ARG A 51 10.420 -2.171 6.648 1.00 0.00 C ATOM 776 C ARG A 51 11.072 -2.995 5.548 1.00 0.00 C ATOM 777 O ARG A 51 12.145 -3.569 5.735 1.00 0.00 O ATOM 778 CB ARG A 51 9.076 -2.789 7.036 1.00 0.00 C ATOM 779 CG ARG A 51 8.227 -1.891 7.915 1.00 0.00 C ATOM 780 CD ARG A 51 8.622 -2.006 9.379 1.00 0.00 C ATOM 781 NE ARG A 51 7.797 -1.161 10.238 1.00 0.00 N ATOM 782 CZ ARG A 51 8.158 -0.765 11.457 1.00 0.00 C ATOM 783 NH1 ARG A 51 9.327 -1.138 11.965 1.00 0.00 N ATOM 784 NH2 ARG A 51 7.349 0.006 12.170 1.00 0.00 N ATOM 0 H ARG A 51 9.271 -0.516 6.061 1.00 0.00 H new ATOM 0 HA ARG A 51 11.065 -2.168 7.526 1.00 0.00 H new ATOM 0 HB2 ARG A 51 8.520 -3.027 6.129 1.00 0.00 H new ATOM 0 HB3 ARG A 51 9.255 -3.730 7.557 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.333 -0.856 7.589 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.176 -2.156 7.799 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.532 -3.044 9.698 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.669 -1.727 9.495 1.00 0.00 H new ATOM 0 HE ARG A 51 6.891 -0.856 9.883 1.00 0.00 H new ATOM 0 HH11 ARG A 51 9.954 -1.731 11.421 1.00 0.00 H new ATOM 0 HH12 ARG A 51 9.598 -0.832 12.899 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.450 0.296 11.785 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.625 0.309 13.104 1.00 0.00 H new ATOM 798 N LEU A 52 10.417 -3.037 4.392 1.00 0.00 N ATOM 799 CA LEU A 52 10.929 -3.777 3.242 1.00 0.00 C ATOM 800 C LEU A 52 12.391 -3.425 2.977 1.00 0.00 C ATOM 801 O LEU A 52 13.160 -4.252 2.488 1.00 0.00 O ATOM 802 CB LEU A 52 10.096 -3.473 1.995 1.00 0.00 C ATOM 803 CG LEU A 52 8.596 -3.735 2.130 1.00 0.00 C ATOM 804 CD1 LEU A 52 7.826 -2.991 1.049 1.00 0.00 C ATOM 805 CD2 LEU A 52 8.308 -5.226 2.060 1.00 0.00 C ATOM 0 H LEU A 52 9.528 -2.566 4.226 1.00 0.00 H new ATOM 0 HA LEU A 52 10.858 -4.840 3.470 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.242 -2.427 1.727 1.00 0.00 H new ATOM 0 HB3 LEU A 52 10.479 -4.071 1.168 1.00 0.00 H new ATOM 0 HG LEU A 52 8.267 -3.366 3.102 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.760 -3.189 1.160 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.008 -1.921 1.144 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.158 -3.330 0.067 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.236 -5.394 2.158 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.651 -5.618 1.103 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.831 -5.736 2.869 1.00 0.00 H new ATOM 817 N GLU A 53 12.767 -2.190 3.301 1.00 0.00 N ATOM 818 CA GLU A 53 14.136 -1.731 3.097 1.00 0.00 C ATOM 819 C GLU A 53 15.105 -2.490 3.997 1.00 0.00 C ATOM 820 O GLU A 53 16.159 -2.943 3.550 1.00 0.00 O ATOM 821 CB GLU A 53 14.239 -0.230 3.368 1.00 0.00 C ATOM 822 CG GLU A 53 13.494 0.625 2.355 1.00 0.00 C ATOM 823 CD GLU A 53 14.086 2.013 2.216 1.00 0.00 C ATOM 824 OE1 GLU A 53 14.570 2.557 3.231 1.00 0.00 O ATOM 825 OE2 GLU A 53 14.067 2.556 1.092 1.00 0.00 O ATOM 0 H GLU A 53 12.143 -1.491 3.705 1.00 0.00 H new ATOM 0 HA GLU A 53 14.406 -1.925 2.059 1.00 0.00 H new ATOM 0 HB2 GLU A 53 13.848 -0.022 4.364 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.290 0.059 3.371 1.00 0.00 H new ATOM 0 HG2 GLU A 53 13.510 0.129 1.385 1.00 0.00 H new ATOM 0 HG3 GLU A 53 12.449 0.708 2.654 1.00 0.00 H new ATOM 832 N ARG A 54 14.741 -2.625 5.268 1.00 0.00 N ATOM 833 CA ARG A 54 15.578 -3.329 6.234 1.00 0.00 C ATOM 834 C ARG A 54 15.309 -4.833 6.206 1.00 0.00 C ATOM 835 O ARG A 54 16.134 -5.627 6.658 1.00 0.00 O ATOM 836 CB ARG A 54 15.336 -2.782 7.643 1.00 0.00 C ATOM 837 CG ARG A 54 15.249 -1.265 7.702 1.00 0.00 C ATOM 838 CD ARG A 54 16.296 -0.679 8.636 1.00 0.00 C ATOM 839 NE ARG A 54 17.654 -1.028 8.224 1.00 0.00 N ATOM 840 CZ ARG A 54 18.741 -0.371 8.621 1.00 0.00 C ATOM 841 NH1 ARG A 54 18.635 0.669 9.439 1.00 0.00 N ATOM 842 NH2 ARG A 54 19.939 -0.756 8.199 1.00 0.00 N ATOM 0 H ARG A 54 13.872 -2.256 5.654 1.00 0.00 H new ATOM 0 HA ARG A 54 16.619 -3.163 5.958 1.00 0.00 H new ATOM 0 HB2 ARG A 54 14.411 -3.206 8.034 1.00 0.00 H new ATOM 0 HB3 ARG A 54 16.141 -3.117 8.297 1.00 0.00 H new ATOM 0 HG2 ARG A 54 15.382 -0.853 6.702 1.00 0.00 H new ATOM 0 HG3 ARG A 54 14.255 -0.970 8.038 1.00 0.00 H new ATOM 0 HD2 ARG A 54 16.192 0.406 8.662 1.00 0.00 H new ATOM 0 HD3 ARG A 54 16.121 -1.040 9.649 1.00 0.00 H new ATOM 0 HE ARG A 54 17.776 -1.822 7.595 1.00 0.00 H new ATOM 0 HH11 ARG A 54 17.717 0.969 9.767 1.00 0.00 H new ATOM 0 HH12 ARG A 54 19.472 1.169 9.740 1.00 0.00 H new ATOM 0 HH21 ARG A 54 20.026 -1.555 7.571 1.00 0.00 H new ATOM 0 HH22 ARG A 54 20.773 -0.253 8.503 1.00 0.00 H new ATOM 856 N ASP A 55 14.152 -5.218 5.676 1.00 0.00 N ATOM 857 CA ASP A 55 13.782 -6.627 5.593 1.00 0.00 C ATOM 858 C ASP A 55 14.292 -7.245 4.296 1.00 0.00 C ATOM 859 O ASP A 55 14.787 -8.372 4.285 1.00 0.00 O ATOM 860 CB ASP A 55 12.262 -6.783 5.682 1.00 0.00 C ATOM 861 CG ASP A 55 11.745 -6.596 7.096 1.00 0.00 C ATOM 862 OD1 ASP A 55 12.060 -7.439 7.960 1.00 0.00 O ATOM 863 OD2 ASP A 55 11.025 -5.604 7.337 1.00 0.00 O ATOM 0 H ASP A 55 13.456 -4.575 5.298 1.00 0.00 H new ATOM 0 HA ASP A 55 14.243 -7.149 6.431 1.00 0.00 H new ATOM 0 HB2 ASP A 55 11.785 -6.056 5.024 1.00 0.00 H new ATOM 0 HB3 ASP A 55 11.979 -7.772 5.322 1.00 0.00 H new ATOM 868 N VAL A 56 14.168 -6.498 3.207 1.00 0.00 N ATOM 869 CA VAL A 56 14.617 -6.965 1.901 1.00 0.00 C ATOM 870 C VAL A 56 16.086 -6.632 1.680 1.00 0.00 C ATOM 871 O VAL A 56 16.810 -7.372 1.015 1.00 0.00 O ATOM 872 CB VAL A 56 13.789 -6.337 0.765 1.00 0.00 C ATOM 873 CG1 VAL A 56 14.146 -6.968 -0.570 1.00 0.00 C ATOM 874 CG2 VAL A 56 12.301 -6.471 1.048 1.00 0.00 C ATOM 0 H VAL A 56 13.759 -5.564 3.202 1.00 0.00 H new ATOM 0 HA VAL A 56 14.481 -8.046 1.886 1.00 0.00 H new ATOM 0 HB VAL A 56 14.029 -5.275 0.712 1.00 0.00 H new ATOM 0 HG11 VAL A 56 13.550 -6.510 -1.360 1.00 0.00 H new ATOM 0 HG12 VAL A 56 15.205 -6.809 -0.776 1.00 0.00 H new ATOM 0 HG13 VAL A 56 13.940 -8.038 -0.534 1.00 0.00 H new ATOM 0 HG21 VAL A 56 11.734 -6.021 0.233 1.00 0.00 H new ATOM 0 HG22 VAL A 56 12.040 -7.526 1.132 1.00 0.00 H new ATOM 0 HG23 VAL A 56 12.061 -5.962 1.982 1.00 0.00 H new ATOM 884 N GLY A 57 16.518 -5.508 2.240 1.00 0.00 N ATOM 885 CA GLY A 57 17.898 -5.087 2.091 1.00 0.00 C ATOM 886 C GLY A 57 18.142 -4.353 0.787 1.00 0.00 C ATOM 887 O GLY A 57 19.280 -4.251 0.327 1.00 0.00 O ATOM 0 H GLY A 57 15.936 -4.880 2.795 1.00 0.00 H new ATOM 0 HA2 GLY A 57 18.169 -4.440 2.925 1.00 0.00 H new ATOM 0 HA3 GLY A 57 18.549 -5.960 2.140 1.00 0.00 H new ATOM 891 N SER A 58 17.071 -3.838 0.189 1.00 0.00 N ATOM 892 CA SER A 58 17.174 -3.108 -1.068 1.00 0.00 C ATOM 893 C SER A 58 16.388 -1.804 -1.001 1.00 0.00 C ATOM 894 O SER A 58 15.482 -1.656 -0.180 1.00 0.00 O ATOM 895 CB SER A 58 16.663 -3.968 -2.226 1.00 0.00 C ATOM 896 OG SER A 58 17.727 -4.664 -2.854 1.00 0.00 O ATOM 0 H SER A 58 16.122 -3.914 0.556 1.00 0.00 H new ATOM 0 HA SER A 58 18.224 -2.871 -1.239 1.00 0.00 H new ATOM 0 HB2 SER A 58 15.926 -4.681 -1.856 1.00 0.00 H new ATOM 0 HB3 SER A 58 16.157 -3.337 -2.956 1.00 0.00 H new ATOM 0 HG SER A 58 17.374 -5.207 -3.589 1.00 0.00 H new ATOM 902 N THR A 59 16.738 -0.860 -1.868 1.00 0.00 N ATOM 903 CA THR A 59 16.063 0.432 -1.903 1.00 0.00 C ATOM 904 C THR A 59 14.750 0.338 -2.675 1.00 0.00 C ATOM 905 O THR A 59 14.738 0.005 -3.860 1.00 0.00 O ATOM 906 CB THR A 59 16.970 1.492 -2.532 1.00 0.00 C ATOM 907 OG1 THR A 59 18.115 0.895 -3.117 1.00 0.00 O ATOM 908 CG2 THR A 59 17.450 2.529 -1.541 1.00 0.00 C ATOM 0 H THR A 59 17.484 -0.965 -2.555 1.00 0.00 H new ATOM 0 HA THR A 59 15.839 0.725 -0.877 1.00 0.00 H new ATOM 0 HB THR A 59 16.356 1.986 -3.285 1.00 0.00 H new ATOM 0 HG1 THR A 59 18.680 1.590 -3.514 1.00 0.00 H new ATOM 0 HG21 THR A 59 18.088 3.251 -2.050 1.00 0.00 H new ATOM 0 HG22 THR A 59 16.592 3.044 -1.109 1.00 0.00 H new ATOM 0 HG23 THR A 59 18.016 2.040 -0.748 1.00 0.00 H new ATOM 916 N ILE A 60 13.648 0.632 -1.993 1.00 0.00 N ATOM 917 CA ILE A 60 12.329 0.578 -2.613 1.00 0.00 C ATOM 918 C ILE A 60 12.201 1.628 -3.720 1.00 0.00 C ATOM 919 O ILE A 60 12.566 2.787 -3.525 1.00 0.00 O ATOM 920 CB ILE A 60 11.213 0.795 -1.570 1.00 0.00 C ATOM 921 CG1 ILE A 60 9.845 0.512 -2.190 1.00 0.00 C ATOM 922 CG2 ILE A 60 11.266 2.209 -1.005 1.00 0.00 C ATOM 923 CD1 ILE A 60 9.319 -0.874 -1.884 1.00 0.00 C ATOM 0 H ILE A 60 13.642 0.910 -1.012 1.00 0.00 H new ATOM 0 HA ILE A 60 12.217 -0.415 -3.048 1.00 0.00 H new ATOM 0 HB ILE A 60 11.372 0.098 -0.747 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.131 1.251 -1.828 1.00 0.00 H new ATOM 0 HG13 ILE A 60 9.912 0.636 -3.271 1.00 0.00 H new ATOM 0 HG21 ILE A 60 10.470 2.338 -0.272 1.00 0.00 H new ATOM 0 HG22 ILE A 60 12.231 2.373 -0.525 1.00 0.00 H new ATOM 0 HG23 ILE A 60 11.135 2.929 -1.813 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.345 -1.006 -2.355 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.013 -1.620 -2.271 1.00 0.00 H new ATOM 0 HD13 ILE A 60 9.220 -0.996 -0.805 1.00 0.00 H new ATOM 935 N PRO A 61 11.687 1.240 -4.904 1.00 0.00 N ATOM 936 CA PRO A 61 11.525 2.150 -6.032 1.00 0.00 C ATOM 937 C PRO A 61 10.184 2.882 -6.018 1.00 0.00 C ATOM 938 O PRO A 61 9.611 3.161 -7.071 1.00 0.00 O ATOM 939 CB PRO A 61 11.614 1.222 -7.253 1.00 0.00 C ATOM 940 CG PRO A 61 11.481 -0.183 -6.738 1.00 0.00 C ATOM 941 CD PRO A 61 11.231 -0.108 -5.253 1.00 0.00 C ATOM 0 HA PRO A 61 12.274 2.942 -6.019 1.00 0.00 H new ATOM 0 HB2 PRO A 61 10.824 1.448 -7.969 1.00 0.00 H new ATOM 0 HB3 PRO A 61 12.563 1.356 -7.772 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.660 -0.697 -7.238 1.00 0.00 H new ATOM 0 HG3 PRO A 61 12.387 -0.753 -6.945 1.00 0.00 H new ATOM 0 HD2 PRO A 61 10.177 -0.251 -5.014 1.00 0.00 H new ATOM 0 HD3 PRO A 61 11.787 -0.874 -4.712 1.00 0.00 H new ATOM 949 N TYR A 62 9.689 3.197 -4.825 1.00 0.00 N ATOM 950 CA TYR A 62 8.420 3.902 -4.688 1.00 0.00 C ATOM 951 C TYR A 62 8.626 5.268 -4.042 1.00 0.00 C ATOM 952 O TYR A 62 9.450 5.421 -3.140 1.00 0.00 O ATOM 953 CB TYR A 62 7.439 3.071 -3.862 1.00 0.00 C ATOM 954 CG TYR A 62 7.013 1.794 -4.545 1.00 0.00 C ATOM 955 CD1 TYR A 62 6.504 1.813 -5.838 1.00 0.00 C ATOM 956 CD2 TYR A 62 7.119 0.570 -3.899 1.00 0.00 C ATOM 957 CE1 TYR A 62 6.113 0.645 -6.466 1.00 0.00 C ATOM 958 CE2 TYR A 62 6.731 -0.601 -4.521 1.00 0.00 C ATOM 959 CZ TYR A 62 6.229 -0.559 -5.804 1.00 0.00 C ATOM 960 OH TYR A 62 5.839 -1.722 -6.425 1.00 0.00 O ATOM 0 H TYR A 62 10.147 2.975 -3.941 1.00 0.00 H new ATOM 0 HA TYR A 62 8.004 4.053 -5.684 1.00 0.00 H new ATOM 0 HB2 TYR A 62 7.898 2.826 -2.904 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.555 3.672 -3.648 1.00 0.00 H new ATOM 0 HD1 TYR A 62 6.413 2.754 -6.360 1.00 0.00 H new ATOM 0 HD2 TYR A 62 7.511 0.532 -2.893 1.00 0.00 H new ATOM 0 HE1 TYR A 62 5.718 0.676 -7.471 1.00 0.00 H new ATOM 0 HE2 TYR A 62 6.821 -1.545 -4.004 1.00 0.00 H new ATOM 0 HH TYR A 62 4.887 -1.880 -6.255 1.00 0.00 H new ATOM 970 N ASP A 63 7.876 6.259 -4.512 1.00 0.00 N ATOM 971 CA ASP A 63 7.982 7.614 -3.982 1.00 0.00 C ATOM 972 C ASP A 63 6.980 7.845 -2.854 1.00 0.00 C ATOM 973 O ASP A 63 5.804 7.498 -2.973 1.00 0.00 O ATOM 974 CB ASP A 63 7.756 8.636 -5.097 1.00 0.00 C ATOM 975 CG ASP A 63 8.884 8.644 -6.110 1.00 0.00 C ATOM 976 OD1 ASP A 63 9.458 7.566 -6.368 1.00 0.00 O ATOM 977 OD2 ASP A 63 9.193 9.730 -6.646 1.00 0.00 O ATOM 0 H ASP A 63 7.189 6.150 -5.258 1.00 0.00 H new ATOM 0 HA ASP A 63 8.986 7.739 -3.577 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.817 8.415 -5.604 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.656 9.630 -4.661 1.00 0.00 H new ATOM 982 N PHE A 64 7.456 8.436 -1.763 1.00 0.00 N ATOM 983 CA PHE A 64 6.605 8.720 -0.613 1.00 0.00 C ATOM 984 C PHE A 64 7.102 9.954 0.139 1.00 0.00 C ATOM 985 O PHE A 64 8.268 10.023 0.525 1.00 0.00 O ATOM 986 CB PHE A 64 6.569 7.517 0.333 1.00 0.00 C ATOM 987 CG PHE A 64 5.357 7.486 1.219 1.00 0.00 C ATOM 988 CD1 PHE A 64 5.223 8.385 2.267 1.00 0.00 C ATOM 989 CD2 PHE A 64 4.350 6.559 1.004 1.00 0.00 C ATOM 990 CE1 PHE A 64 4.109 8.357 3.083 1.00 0.00 C ATOM 991 CE2 PHE A 64 3.234 6.527 1.817 1.00 0.00 C ATOM 992 CZ PHE A 64 3.113 7.427 2.858 1.00 0.00 C ATOM 0 H PHE A 64 8.427 8.728 -1.651 1.00 0.00 H new ATOM 0 HA PHE A 64 5.597 8.917 -0.979 1.00 0.00 H new ATOM 0 HB2 PHE A 64 6.602 6.601 -0.256 1.00 0.00 H new ATOM 0 HB3 PHE A 64 7.464 7.528 0.955 1.00 0.00 H new ATOM 0 HD1 PHE A 64 5.998 9.115 2.447 1.00 0.00 H new ATOM 0 HD2 PHE A 64 4.439 5.853 0.191 1.00 0.00 H new ATOM 0 HE1 PHE A 64 4.017 9.062 3.896 1.00 0.00 H new ATOM 0 HE2 PHE A 64 2.456 5.799 1.639 1.00 0.00 H new ATOM 0 HZ PHE A 64 2.241 7.403 3.495 1.00 0.00 H new ATOM 1002 N PRO A 65 6.223 10.949 0.363 1.00 0.00 N ATOM 1003 CA PRO A 65 6.591 12.175 1.077 1.00 0.00 C ATOM 1004 C PRO A 65 6.924 11.909 2.541 1.00 0.00 C ATOM 1005 O PRO A 65 6.040 11.617 3.345 1.00 0.00 O ATOM 1006 CB PRO A 65 5.338 13.050 0.964 1.00 0.00 C ATOM 1007 CG PRO A 65 4.223 12.091 0.736 1.00 0.00 C ATOM 1008 CD PRO A 65 4.808 10.955 -0.054 1.00 0.00 C ATOM 0 HA PRO A 65 7.485 12.637 0.657 1.00 0.00 H new ATOM 0 HB2 PRO A 65 5.179 13.632 1.872 1.00 0.00 H new ATOM 0 HB3 PRO A 65 5.424 13.759 0.141 1.00 0.00 H new ATOM 0 HG2 PRO A 65 3.813 11.738 1.682 1.00 0.00 H new ATOM 0 HG3 PRO A 65 3.406 12.565 0.192 1.00 0.00 H new ATOM 0 HD2 PRO A 65 4.316 10.010 0.175 1.00 0.00 H new ATOM 0 HD3 PRO A 65 4.705 11.116 -1.127 1.00 0.00 H new ATOM 1016 N GLU A 66 8.205 12.008 2.879 1.00 0.00 N ATOM 1017 CA GLU A 66 8.653 11.775 4.246 1.00 0.00 C ATOM 1018 C GLU A 66 8.472 13.026 5.100 1.00 0.00 C ATOM 1019 O GLU A 66 8.921 14.112 4.732 1.00 0.00 O ATOM 1020 CB GLU A 66 10.119 11.339 4.258 1.00 0.00 C ATOM 1021 CG GLU A 66 10.301 9.833 4.341 1.00 0.00 C ATOM 1022 CD GLU A 66 11.061 9.269 3.156 1.00 0.00 C ATOM 1023 OE1 GLU A 66 11.925 9.987 2.610 1.00 0.00 O ATOM 1024 OE2 GLU A 66 10.793 8.110 2.776 1.00 0.00 O ATOM 0 H GLU A 66 8.950 12.248 2.225 1.00 0.00 H new ATOM 0 HA GLU A 66 8.042 10.978 4.671 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.607 11.707 3.356 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.622 11.805 5.105 1.00 0.00 H new ATOM 0 HG2 GLU A 66 10.833 9.586 5.260 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.323 9.356 4.401 1.00 0.00 H new ATOM 1031 N LYS A 67 7.809 12.864 6.240 1.00 0.00 N ATOM 1032 CA LYS A 67 7.566 13.979 7.146 1.00 0.00 C ATOM 1033 C LYS A 67 7.712 13.540 8.603 1.00 0.00 C ATOM 1034 O LYS A 67 7.238 12.471 8.985 1.00 0.00 O ATOM 1035 CB LYS A 67 6.168 14.554 6.912 1.00 0.00 C ATOM 1036 CG LYS A 67 5.052 13.539 7.106 1.00 0.00 C ATOM 1037 CD LYS A 67 3.851 14.154 7.811 1.00 0.00 C ATOM 1038 CE LYS A 67 2.588 14.032 6.974 1.00 0.00 C ATOM 1039 NZ LYS A 67 2.249 15.312 6.292 1.00 0.00 N ATOM 0 H LYS A 67 7.431 11.972 6.558 1.00 0.00 H new ATOM 0 HA LYS A 67 8.309 14.750 6.943 1.00 0.00 H new ATOM 0 HB2 LYS A 67 6.010 15.390 7.593 1.00 0.00 H new ATOM 0 HB3 LYS A 67 6.113 14.953 5.899 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.744 13.146 6.137 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.424 12.696 7.688 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.701 13.661 8.772 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.050 15.205 8.020 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.720 13.247 6.229 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.757 13.729 7.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.382 15.188 5.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.098 16.055 7.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.031 15.588 5.664 1.00 0.00 H new ATOM 1053 N PRO A 68 8.372 14.362 9.440 1.00 0.00 N ATOM 1054 CA PRO A 68 8.572 14.045 10.859 1.00 0.00 C ATOM 1055 C PRO A 68 7.263 13.726 11.570 1.00 0.00 C ATOM 1056 O PRO A 68 6.200 14.216 11.185 1.00 0.00 O ATOM 1057 CB PRO A 68 9.190 15.325 11.429 1.00 0.00 C ATOM 1058 CG PRO A 68 9.830 15.991 10.262 1.00 0.00 C ATOM 1059 CD PRO A 68 8.972 15.659 9.074 1.00 0.00 C ATOM 0 HA PRO A 68 9.194 13.160 10.993 1.00 0.00 H new ATOM 0 HB2 PRO A 68 8.431 15.963 11.881 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.921 15.100 12.206 1.00 0.00 H new ATOM 0 HG2 PRO A 68 9.889 17.069 10.412 1.00 0.00 H new ATOM 0 HG3 PRO A 68 10.850 15.633 10.119 1.00 0.00 H new ATOM 0 HD2 PRO A 68 8.211 16.420 8.902 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.561 15.586 8.160 1.00 0.00 H new ATOM 1067 N GLY A 69 7.344 12.901 12.610 1.00 0.00 N ATOM 1068 CA GLY A 69 6.158 12.532 13.358 1.00 0.00 C ATOM 1069 C GLY A 69 6.380 12.576 14.856 1.00 0.00 C ATOM 1070 O GLY A 69 6.369 11.542 15.524 1.00 0.00 O ATOM 0 H GLY A 69 8.211 12.482 12.947 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.342 13.205 13.095 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.848 11.528 13.069 1.00 0.00 H new ATOM 1074 N VAL A 70 6.584 13.778 15.387 1.00 0.00 N ATOM 1075 CA VAL A 70 6.812 13.954 16.817 1.00 0.00 C ATOM 1076 C VAL A 70 5.692 14.775 17.455 1.00 0.00 C ATOM 1077 O VAL A 70 4.791 14.224 18.087 1.00 0.00 O ATOM 1078 CB VAL A 70 8.171 14.635 17.086 1.00 0.00 C ATOM 1079 CG1 VAL A 70 8.372 14.878 18.575 1.00 0.00 C ATOM 1080 CG2 VAL A 70 9.306 13.794 16.521 1.00 0.00 C ATOM 0 H VAL A 70 6.596 14.644 14.848 1.00 0.00 H new ATOM 0 HA VAL A 70 6.822 12.961 17.267 1.00 0.00 H new ATOM 0 HB VAL A 70 8.174 15.603 16.584 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.337 15.359 18.738 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.577 15.523 18.949 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.346 13.926 19.106 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.258 14.287 16.719 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.301 12.812 16.994 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.173 13.679 15.445 1.00 0.00 H new ATOM 1090 N LEU A 71 5.756 16.093 17.289 1.00 0.00 N ATOM 1091 CA LEU A 71 4.746 16.982 17.852 1.00 0.00 C ATOM 1092 C LEU A 71 4.476 18.160 16.920 1.00 0.00 C ATOM 1093 O LEU A 71 4.305 19.294 17.369 1.00 0.00 O ATOM 1094 CB LEU A 71 5.195 17.493 19.223 1.00 0.00 C ATOM 1095 CG LEU A 71 4.076 17.645 20.255 1.00 0.00 C ATOM 1096 CD1 LEU A 71 2.958 18.518 19.706 1.00 0.00 C ATOM 1097 CD2 LEU A 71 3.539 16.281 20.662 1.00 0.00 C ATOM 0 H LEU A 71 6.495 16.568 16.770 1.00 0.00 H new ATOM 0 HA LEU A 71 3.822 16.415 17.967 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.945 16.810 19.621 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.682 18.459 19.092 1.00 0.00 H new ATOM 0 HG LEU A 71 4.487 18.131 21.140 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.171 18.615 20.454 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.352 19.505 19.465 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.548 18.061 18.805 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.744 16.407 21.397 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.144 15.769 19.785 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.344 15.688 21.097 1.00 0.00 H new ATOM 1109 N ASP A 72 4.437 17.884 15.621 1.00 0.00 N ATOM 1110 CA ASP A 72 4.186 18.920 14.626 1.00 0.00 C ATOM 1111 C ASP A 72 2.769 19.466 14.754 1.00 0.00 C ATOM 1112 O ASP A 72 1.793 18.724 14.639 1.00 0.00 O ATOM 1113 CB ASP A 72 4.409 18.365 13.218 1.00 0.00 C ATOM 1114 CG ASP A 72 3.446 17.244 12.877 1.00 0.00 C ATOM 1115 OD1 ASP A 72 3.301 16.316 13.699 1.00 0.00 O ATOM 1116 OD2 ASP A 72 2.837 17.294 11.787 1.00 0.00 O ATOM 0 H ASP A 72 4.576 16.951 15.232 1.00 0.00 H new ATOM 0 HA ASP A 72 4.885 19.737 14.802 1.00 0.00 H new ATOM 0 HB2 ASP A 72 4.297 19.170 12.492 1.00 0.00 H new ATOM 0 HB3 ASP A 72 5.432 17.999 13.133 1.00 0.00 H new ATOM 1121 N ARG A 73 2.660 20.769 14.993 1.00 0.00 N ATOM 1122 CA ARG A 73 1.360 21.415 15.135 1.00 0.00 C ATOM 1123 C ARG A 73 1.134 22.436 14.026 1.00 0.00 C ATOM 1124 O ARG A 73 0.038 22.539 13.475 1.00 0.00 O ATOM 1125 CB ARG A 73 1.251 22.094 16.502 1.00 0.00 C ATOM 1126 CG ARG A 73 1.342 21.127 17.670 1.00 0.00 C ATOM 1127 CD ARG A 73 1.876 21.810 18.918 1.00 0.00 C ATOM 1128 NE ARG A 73 3.245 22.288 18.736 1.00 0.00 N ATOM 1129 CZ ARG A 73 4.059 22.605 19.741 1.00 0.00 C ATOM 1130 NH1 ARG A 73 3.646 22.497 20.998 1.00 0.00 N ATOM 1131 NH2 ARG A 73 5.289 23.031 19.488 1.00 0.00 N ATOM 0 H ARG A 73 3.456 21.398 15.092 1.00 0.00 H new ATOM 0 HA ARG A 73 0.591 20.647 15.057 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.043 22.837 16.594 1.00 0.00 H new ATOM 0 HB3 ARG A 73 0.303 22.630 16.558 1.00 0.00 H new ATOM 0 HG2 ARG A 73 0.356 20.710 17.876 1.00 0.00 H new ATOM 0 HG3 ARG A 73 1.992 20.293 17.404 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.230 22.649 19.177 1.00 0.00 H new ATOM 0 HD3 ARG A 73 1.844 21.113 19.755 1.00 0.00 H new ATOM 0 HE ARG A 73 3.597 22.384 17.784 1.00 0.00 H new ATOM 0 HH11 ARG A 73 2.701 22.170 21.198 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.274 22.741 21.764 1.00 0.00 H new ATOM 0 HH21 ARG A 73 5.611 23.116 18.524 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.913 23.274 20.257 1.00 0.00 H new ATOM 1145 N ARG A 74 2.180 23.187 13.704 1.00 0.00 N ATOM 1146 CA ARG A 74 2.098 24.202 12.659 1.00 0.00 C ATOM 1147 C ARG A 74 2.182 23.567 11.274 1.00 0.00 C ATOM 1148 O ARG A 74 1.659 24.109 10.300 1.00 0.00 O ATOM 1149 CB ARG A 74 3.213 25.237 12.828 1.00 0.00 C ATOM 1150 CG ARG A 74 4.607 24.633 12.921 1.00 0.00 C ATOM 1151 CD ARG A 74 5.396 25.212 14.088 1.00 0.00 C ATOM 1152 NE ARG A 74 5.882 24.173 14.993 1.00 0.00 N ATOM 1153 CZ ARG A 74 7.022 23.509 14.818 1.00 0.00 C ATOM 1154 NH1 ARG A 74 7.793 23.759 13.767 1.00 0.00 N ATOM 1155 NH2 ARG A 74 7.393 22.588 15.697 1.00 0.00 N ATOM 0 H ARG A 74 3.094 23.113 14.150 1.00 0.00 H new ATOM 0 HA ARG A 74 1.134 24.702 12.752 1.00 0.00 H new ATOM 0 HB2 ARG A 74 3.183 25.929 11.987 1.00 0.00 H new ATOM 0 HB3 ARG A 74 3.020 25.821 13.728 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.528 23.552 13.036 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.146 24.816 11.991 1.00 0.00 H new ATOM 0 HD2 ARG A 74 6.242 25.783 13.705 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.766 25.908 14.641 1.00 0.00 H new ATOM 0 HE ARG A 74 5.313 23.943 15.808 1.00 0.00 H new ATOM 0 HH11 ARG A 74 7.513 24.465 13.086 1.00 0.00 H new ATOM 0 HH12 ARG A 74 8.665 23.245 13.641 1.00 0.00 H new ATOM 0 HH21 ARG A 74 6.805 22.389 16.506 1.00 0.00 H new ATOM 0 HH22 ARG A 74 8.267 22.078 15.564 1.00 0.00 H new ATOM 1169 N TRP A 75 2.838 22.414 11.193 1.00 0.00 N ATOM 1170 CA TRP A 75 2.984 21.705 9.926 1.00 0.00 C ATOM 1171 C TRP A 75 2.107 20.458 9.897 1.00 0.00 C ATOM 1172 O TRP A 75 2.448 19.462 9.259 1.00 0.00 O ATOM 1173 CB TRP A 75 4.447 21.318 9.700 1.00 0.00 C ATOM 1174 CG TRP A 75 5.394 22.474 9.811 1.00 0.00 C ATOM 1175 CD1 TRP A 75 6.292 22.704 10.813 1.00 0.00 C ATOM 1176 CD2 TRP A 75 5.535 23.559 8.888 1.00 0.00 C ATOM 1177 NE1 TRP A 75 6.985 23.865 10.568 1.00 0.00 N ATOM 1178 CE2 TRP A 75 6.538 24.408 9.392 1.00 0.00 C ATOM 1179 CE3 TRP A 75 4.912 23.895 7.682 1.00 0.00 C ATOM 1180 CZ2 TRP A 75 6.931 25.571 8.734 1.00 0.00 C ATOM 1181 CZ3 TRP A 75 5.303 25.050 7.029 1.00 0.00 C ATOM 1182 CH2 TRP A 75 6.305 25.875 7.556 1.00 0.00 C ATOM 0 H TRP A 75 3.277 21.951 11.989 1.00 0.00 H new ATOM 0 HA TRP A 75 2.664 22.372 9.126 1.00 0.00 H new ATOM 0 HB2 TRP A 75 4.730 20.556 10.426 1.00 0.00 H new ATOM 0 HB3 TRP A 75 4.548 20.869 8.712 1.00 0.00 H new ATOM 0 HD1 TRP A 75 6.437 22.067 11.673 1.00 0.00 H new ATOM 0 HE1 TRP A 75 7.713 24.258 11.164 1.00 0.00 H new ATOM 0 HE3 TRP A 75 4.139 23.264 7.268 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 7.702 26.210 9.139 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 4.828 25.320 6.097 1.00 0.00 H new ATOM 0 HH2 TRP A 75 6.589 26.769 7.021 1.00 0.00 H new ATOM 1193 N GLN A 76 0.975 20.519 10.592 1.00 0.00 N ATOM 1194 CA GLN A 76 0.048 19.394 10.645 1.00 0.00 C ATOM 1195 C GLN A 76 -1.159 19.641 9.747 1.00 0.00 C ATOM 1196 O GLN A 76 -1.532 20.786 9.492 1.00 0.00 O ATOM 1197 CB GLN A 76 -0.410 19.149 12.084 1.00 0.00 C ATOM 1198 CG GLN A 76 -1.261 20.273 12.654 1.00 0.00 C ATOM 1199 CD GLN A 76 -2.732 19.910 12.730 1.00 0.00 C ATOM 1200 OE1 GLN A 76 -3.142 19.106 13.566 1.00 0.00 O ATOM 1201 NE2 GLN A 76 -3.534 20.504 11.854 1.00 0.00 N ATOM 0 H GLN A 76 0.678 21.336 11.126 1.00 0.00 H new ATOM 0 HA GLN A 76 0.570 18.508 10.284 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -0.978 18.220 12.122 1.00 0.00 H new ATOM 0 HB3 GLN A 76 0.467 19.012 12.717 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -0.901 20.526 13.651 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -1.142 21.163 12.036 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -3.151 21.165 11.178 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -4.533 20.300 11.857 1.00 0.00 H new ATOM 1210 N ARG A 77 -1.766 18.559 9.268 1.00 0.00 N ATOM 1211 CA ARG A 77 -2.933 18.659 8.397 1.00 0.00 C ATOM 1212 C ARG A 77 -4.067 17.778 8.910 1.00 0.00 C ATOM 1213 O ARG A 77 -3.838 16.823 9.652 1.00 0.00 O ATOM 1214 CB ARG A 77 -2.567 18.257 6.965 1.00 0.00 C ATOM 1215 CG ARG A 77 -1.172 18.693 6.542 1.00 0.00 C ATOM 1216 CD ARG A 77 -1.198 19.466 5.233 1.00 0.00 C ATOM 1217 NE ARG A 77 -0.057 19.136 4.382 1.00 0.00 N ATOM 1218 CZ ARG A 77 0.409 19.932 3.421 1.00 0.00 C ATOM 1219 NH1 ARG A 77 -0.168 21.104 3.181 1.00 0.00 N ATOM 1220 NH2 ARG A 77 1.453 19.555 2.697 1.00 0.00 N ATOM 0 H ARG A 77 -1.470 17.604 9.468 1.00 0.00 H new ATOM 0 HA ARG A 77 -3.269 19.696 8.399 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.643 17.174 6.871 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -3.296 18.688 6.279 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -0.732 19.314 7.323 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -0.533 17.816 6.434 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -2.123 19.247 4.700 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -1.197 20.536 5.443 1.00 0.00 H new ATOM 0 HE ARG A 77 0.411 18.242 4.533 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -0.973 21.399 3.734 1.00 0.00 H new ATOM 0 HH12 ARG A 77 0.194 21.709 2.444 1.00 0.00 H new ATOM 0 HH21 ARG A 77 1.899 18.655 2.876 1.00 0.00 H new ATOM 0 HH22 ARG A 77 1.810 20.164 1.961 1.00 0.00 H new ATOM 1234 N ARG A 78 -5.293 18.104 8.510 1.00 0.00 N ATOM 1235 CA ARG A 78 -6.460 17.338 8.930 1.00 0.00 C ATOM 1236 C ARG A 78 -6.492 15.979 8.239 1.00 0.00 C ATOM 1237 O ARG A 78 -6.643 15.894 7.020 1.00 0.00 O ATOM 1238 CB ARG A 78 -7.744 18.115 8.625 1.00 0.00 C ATOM 1239 CG ARG A 78 -8.535 18.493 9.866 1.00 0.00 C ATOM 1240 CD ARG A 78 -7.705 19.334 10.823 1.00 0.00 C ATOM 1241 NE ARG A 78 -8.468 19.736 12.003 1.00 0.00 N ATOM 1242 CZ ARG A 78 -8.814 18.901 12.980 1.00 0.00 C ATOM 1243 NH1 ARG A 78 -8.466 17.621 12.925 1.00 0.00 N ATOM 1244 NH2 ARG A 78 -9.510 19.348 14.017 1.00 0.00 N ATOM 0 H ARG A 78 -5.503 18.892 7.897 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.393 17.176 10.006 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.489 19.022 8.077 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.376 17.514 7.971 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.428 19.046 9.575 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -8.872 17.589 10.373 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.827 18.768 11.135 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.344 20.222 10.305 1.00 0.00 H new ATOM 0 HE ARG A 78 -8.752 20.713 12.082 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.930 17.272 12.130 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -8.735 16.987 13.677 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -9.779 20.331 14.065 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -9.776 18.709 14.766 1.00 0.00 H new ATOM 1258 N TYR A 79 -6.347 14.918 9.026 1.00 0.00 N ATOM 1259 CA TYR A 79 -6.356 13.561 8.491 1.00 0.00 C ATOM 1260 C TYR A 79 -7.642 13.284 7.715 1.00 0.00 C ATOM 1261 O TYR A 79 -7.661 12.454 6.806 1.00 0.00 O ATOM 1262 CB TYR A 79 -6.198 12.543 9.623 1.00 0.00 C ATOM 1263 CG TYR A 79 -7.375 12.494 10.571 1.00 0.00 C ATOM 1264 CD1 TYR A 79 -7.513 13.429 11.589 1.00 0.00 C ATOM 1265 CD2 TYR A 79 -8.350 11.510 10.447 1.00 0.00 C ATOM 1266 CE1 TYR A 79 -8.587 13.385 12.458 1.00 0.00 C ATOM 1267 CE2 TYR A 79 -9.427 11.461 11.311 1.00 0.00 C ATOM 1268 CZ TYR A 79 -9.542 12.400 12.314 1.00 0.00 C ATOM 1269 OH TYR A 79 -10.613 12.354 13.176 1.00 0.00 O ATOM 0 H TYR A 79 -6.222 14.972 10.037 1.00 0.00 H new ATOM 0 HA TYR A 79 -5.515 13.465 7.804 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -6.051 11.553 9.191 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -5.297 12.781 10.189 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -6.769 14.203 11.703 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -8.264 10.772 9.663 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -8.678 14.118 13.246 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -10.176 10.690 11.201 1.00 0.00 H new ATOM 0 HH TYR A 79 -10.477 11.635 13.828 1.00 0.00 H new ATOM 1279 N ASP A 80 -8.714 13.982 8.079 1.00 0.00 N ATOM 1280 CA ASP A 80 -10.001 13.805 7.414 1.00 0.00 C ATOM 1281 C ASP A 80 -10.262 14.925 6.411 1.00 0.00 C ATOM 1282 O ASP A 80 -11.411 15.260 6.127 1.00 0.00 O ATOM 1283 CB ASP A 80 -11.129 13.756 8.446 1.00 0.00 C ATOM 1284 CG ASP A 80 -11.249 15.046 9.234 1.00 0.00 C ATOM 1285 OD1 ASP A 80 -11.887 15.993 8.729 1.00 0.00 O ATOM 1286 OD2 ASP A 80 -10.704 15.109 10.356 1.00 0.00 O ATOM 0 H ASP A 80 -8.717 14.674 8.829 1.00 0.00 H new ATOM 0 HA ASP A 80 -9.970 12.860 6.871 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -12.073 13.554 7.939 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -10.953 12.929 9.133 1.00 0.00 H new ATOM 1291 N ASP A 81 -9.189 15.501 5.874 1.00 0.00 N ATOM 1292 CA ASP A 81 -9.311 16.580 4.900 1.00 0.00 C ATOM 1293 C ASP A 81 -9.310 16.024 3.474 1.00 0.00 C ATOM 1294 O ASP A 81 -8.343 15.392 3.051 1.00 0.00 O ATOM 1295 CB ASP A 81 -8.166 17.580 5.071 1.00 0.00 C ATOM 1296 CG ASP A 81 -8.273 18.752 4.115 1.00 0.00 C ATOM 1297 OD1 ASP A 81 -9.377 18.982 3.580 1.00 0.00 O ATOM 1298 OD2 ASP A 81 -7.252 19.440 3.903 1.00 0.00 O ATOM 0 H ASP A 81 -8.229 15.239 6.097 1.00 0.00 H new ATOM 0 HA ASP A 81 -10.258 17.091 5.073 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -8.161 17.950 6.096 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -7.216 17.070 4.912 1.00 0.00 H new ATOM 1303 N PRO A 82 -10.396 16.252 2.710 1.00 0.00 N ATOM 1304 CA PRO A 82 -10.501 15.765 1.329 1.00 0.00 C ATOM 1305 C PRO A 82 -9.396 16.314 0.431 1.00 0.00 C ATOM 1306 O PRO A 82 -9.124 15.765 -0.637 1.00 0.00 O ATOM 1307 CB PRO A 82 -11.872 16.272 0.862 1.00 0.00 C ATOM 1308 CG PRO A 82 -12.229 17.364 1.811 1.00 0.00 C ATOM 1309 CD PRO A 82 -11.597 16.997 3.121 1.00 0.00 C ATOM 0 HA PRO A 82 -10.397 14.681 1.278 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -11.827 16.640 -0.163 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -12.615 15.474 0.882 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -11.860 18.326 1.456 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -13.310 17.455 1.912 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -11.344 17.879 3.708 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -12.261 16.387 3.733 1.00 0.00 H new ATOM 1317 N GLU A 83 -8.763 17.398 0.867 1.00 0.00 N ATOM 1318 CA GLU A 83 -7.689 18.015 0.097 1.00 0.00 C ATOM 1319 C GLU A 83 -6.469 17.102 0.034 1.00 0.00 C ATOM 1320 O GLU A 83 -5.913 16.867 -1.039 1.00 0.00 O ATOM 1321 CB GLU A 83 -7.302 19.362 0.710 1.00 0.00 C ATOM 1322 CG GLU A 83 -8.462 20.337 0.820 1.00 0.00 C ATOM 1323 CD GLU A 83 -8.013 21.739 1.180 1.00 0.00 C ATOM 1324 OE1 GLU A 83 -7.708 22.522 0.255 1.00 0.00 O ATOM 1325 OE2 GLU A 83 -7.966 22.055 2.387 1.00 0.00 O ATOM 0 H GLU A 83 -8.975 17.867 1.748 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.051 18.176 -0.918 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.885 19.193 1.703 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -6.515 19.814 0.106 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.000 20.364 -0.127 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -9.162 19.979 1.574 1.00 0.00 H new ATOM 1332 N MET A 84 -6.060 16.585 1.189 1.00 0.00 N ATOM 1333 CA MET A 84 -4.908 15.692 1.257 1.00 0.00 C ATOM 1334 C MET A 84 -5.319 14.259 0.940 1.00 0.00 C ATOM 1335 O MET A 84 -4.521 13.470 0.433 1.00 0.00 O ATOM 1336 CB MET A 84 -4.256 15.758 2.640 1.00 0.00 C ATOM 1337 CG MET A 84 -5.250 15.716 3.789 1.00 0.00 C ATOM 1338 SD MET A 84 -4.636 14.783 5.205 1.00 0.00 S ATOM 1339 CE MET A 84 -5.594 13.276 5.055 1.00 0.00 C ATOM 0 H MET A 84 -6.507 16.768 2.087 1.00 0.00 H new ATOM 0 HA MET A 84 -4.182 16.019 0.513 1.00 0.00 H new ATOM 0 HB2 MET A 84 -3.560 14.926 2.743 1.00 0.00 H new ATOM 0 HB3 MET A 84 -3.670 16.674 2.712 1.00 0.00 H new ATOM 0 HG2 MET A 84 -5.481 16.734 4.102 1.00 0.00 H new ATOM 0 HG3 MET A 84 -6.182 15.270 3.442 1.00 0.00 H new ATOM 0 HE1 MET A 84 -5.230 12.540 5.772 1.00 0.00 H new ATOM 0 HE2 MET A 84 -6.644 13.490 5.257 1.00 0.00 H new ATOM 0 HE3 MET A 84 -5.492 12.879 4.045 1.00 0.00 H new ATOM 1349 N ILE A 85 -6.573 13.931 1.236 1.00 0.00 N ATOM 1350 CA ILE A 85 -7.096 12.596 0.977 1.00 0.00 C ATOM 1351 C ILE A 85 -7.129 12.311 -0.523 1.00 0.00 C ATOM 1352 O ILE A 85 -6.823 11.202 -0.962 1.00 0.00 O ATOM 1353 CB ILE A 85 -8.513 12.430 1.570 1.00 0.00 C ATOM 1354 CG1 ILE A 85 -8.458 12.502 3.098 1.00 0.00 C ATOM 1355 CG2 ILE A 85 -9.142 11.118 1.122 1.00 0.00 C ATOM 1356 CD1 ILE A 85 -9.785 12.854 3.734 1.00 0.00 C ATOM 0 H ILE A 85 -7.246 14.573 1.656 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.430 11.881 1.460 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.135 13.245 1.201 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.121 11.541 3.487 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -7.715 13.243 3.392 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -10.139 11.026 1.554 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -9.215 11.102 0.035 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.524 10.285 1.457 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -9.672 12.887 4.818 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -10.114 13.829 3.373 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -10.526 12.100 3.470 1.00 0.00 H new ATOM 1368 N ASP A 86 -7.503 13.320 -1.303 1.00 0.00 N ATOM 1369 CA ASP A 86 -7.577 13.182 -2.754 1.00 0.00 C ATOM 1370 C ASP A 86 -6.272 12.631 -3.322 1.00 0.00 C ATOM 1371 O ASP A 86 -6.257 11.579 -3.961 1.00 0.00 O ATOM 1372 CB ASP A 86 -7.895 14.532 -3.400 1.00 0.00 C ATOM 1373 CG ASP A 86 -8.435 14.387 -4.809 1.00 0.00 C ATOM 1374 OD1 ASP A 86 -7.633 14.114 -5.726 1.00 0.00 O ATOM 1375 OD2 ASP A 86 -9.659 14.549 -4.995 1.00 0.00 O ATOM 0 H ASP A 86 -7.760 14.244 -0.954 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.376 12.477 -2.983 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.624 15.062 -2.787 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -6.993 15.143 -3.421 1.00 0.00 H new ATOM 1380 N GLU A 87 -5.177 13.347 -3.084 1.00 0.00 N ATOM 1381 CA GLU A 87 -3.868 12.926 -3.572 1.00 0.00 C ATOM 1382 C GLU A 87 -3.456 11.600 -2.944 1.00 0.00 C ATOM 1383 O GLU A 87 -2.923 10.721 -3.622 1.00 0.00 O ATOM 1384 CB GLU A 87 -2.817 13.999 -3.272 1.00 0.00 C ATOM 1385 CG GLU A 87 -2.543 14.927 -4.444 1.00 0.00 C ATOM 1386 CD GLU A 87 -1.094 15.368 -4.510 1.00 0.00 C ATOM 1387 OE1 GLU A 87 -0.217 14.499 -4.698 1.00 0.00 O ATOM 1388 OE2 GLU A 87 -0.836 16.582 -4.374 1.00 0.00 O ATOM 0 H GLU A 87 -5.170 14.220 -2.557 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.936 12.790 -4.651 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.148 14.592 -2.420 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.887 13.513 -2.979 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -2.808 14.422 -5.373 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -3.183 15.805 -4.365 1.00 0.00 H new ATOM 1395 N ARG A 88 -3.711 11.456 -1.648 1.00 0.00 N ATOM 1396 CA ARG A 88 -3.370 10.229 -0.936 1.00 0.00 C ATOM 1397 C ARG A 88 -3.964 9.013 -1.643 1.00 0.00 C ATOM 1398 O ARG A 88 -3.455 7.899 -1.519 1.00 0.00 O ATOM 1399 CB ARG A 88 -3.873 10.294 0.507 1.00 0.00 C ATOM 1400 CG ARG A 88 -2.866 10.893 1.475 1.00 0.00 C ATOM 1401 CD ARG A 88 -3.446 11.026 2.872 1.00 0.00 C ATOM 1402 NE ARG A 88 -2.914 12.190 3.577 1.00 0.00 N ATOM 1403 CZ ARG A 88 -1.732 12.210 4.189 1.00 0.00 C ATOM 1404 NH1 ARG A 88 -0.955 11.134 4.185 1.00 0.00 N ATOM 1405 NH2 ARG A 88 -1.324 13.312 4.806 1.00 0.00 N ATOM 0 H ARG A 88 -4.152 12.172 -1.070 1.00 0.00 H new ATOM 0 HA ARG A 88 -2.285 10.130 -0.927 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -4.789 10.884 0.538 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -4.130 9.288 0.839 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -1.975 10.266 1.508 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.553 11.873 1.115 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -4.531 11.106 2.808 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -3.226 10.124 3.443 1.00 0.00 H new ATOM 0 HE ARG A 88 -3.482 13.037 3.602 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -1.262 10.285 3.711 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -0.050 11.156 4.656 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -1.916 14.143 4.811 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -0.418 13.328 5.275 1.00 0.00 H new ATOM 1419 N ARG A 89 -5.041 9.240 -2.391 1.00 0.00 N ATOM 1420 CA ARG A 89 -5.703 8.171 -3.126 1.00 0.00 C ATOM 1421 C ARG A 89 -4.761 7.556 -4.154 1.00 0.00 C ATOM 1422 O ARG A 89 -4.497 6.353 -4.127 1.00 0.00 O ATOM 1423 CB ARG A 89 -6.951 8.710 -3.826 1.00 0.00 C ATOM 1424 CG ARG A 89 -8.079 7.696 -3.928 1.00 0.00 C ATOM 1425 CD ARG A 89 -9.440 8.375 -3.933 1.00 0.00 C ATOM 1426 NE ARG A 89 -10.316 7.838 -4.971 1.00 0.00 N ATOM 1427 CZ ARG A 89 -11.558 8.265 -5.187 1.00 0.00 C ATOM 1428 NH1 ARG A 89 -12.073 9.235 -4.441 1.00 0.00 N ATOM 1429 NH2 ARG A 89 -12.287 7.723 -6.153 1.00 0.00 N ATOM 0 H ARG A 89 -5.473 10.157 -2.503 1.00 0.00 H new ATOM 0 HA ARG A 89 -5.993 7.398 -2.415 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -7.310 9.587 -3.286 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -6.680 9.041 -4.828 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -7.961 7.109 -4.839 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -8.021 7.000 -3.091 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -9.912 8.248 -2.959 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -9.310 9.446 -4.087 1.00 0.00 H new ATOM 0 HE ARG A 89 -9.955 7.092 -5.565 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -11.516 9.657 -3.698 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -13.025 9.558 -4.611 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -11.896 6.979 -6.731 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -13.239 8.050 -6.318 1.00 0.00 H new ATOM 1443 N ILE A 90 -4.257 8.390 -5.059 1.00 0.00 N ATOM 1444 CA ILE A 90 -3.342 7.923 -6.096 1.00 0.00 C ATOM 1445 C ILE A 90 -1.951 7.668 -5.530 1.00 0.00 C ATOM 1446 O ILE A 90 -1.553 8.275 -4.535 1.00 0.00 O ATOM 1447 CB ILE A 90 -3.233 8.912 -7.280 1.00 0.00 C ATOM 1448 CG1 ILE A 90 -3.182 10.367 -6.796 1.00 0.00 C ATOM 1449 CG2 ILE A 90 -4.396 8.713 -8.237 1.00 0.00 C ATOM 1450 CD1 ILE A 90 -1.817 10.801 -6.307 1.00 0.00 C ATOM 0 H ILE A 90 -4.465 9.388 -5.096 1.00 0.00 H new ATOM 0 HA ILE A 90 -3.763 6.989 -6.469 1.00 0.00 H new ATOM 0 HB ILE A 90 -2.300 8.705 -7.804 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -3.491 11.022 -7.611 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -3.905 10.498 -5.990 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.309 9.415 -9.067 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -4.381 7.693 -8.621 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.334 8.888 -7.711 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.861 11.840 -5.982 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -1.513 10.171 -5.471 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.093 10.704 -7.116 1.00 0.00 H new ATOM 1462 N GLY A 91 -1.215 6.766 -6.170 1.00 0.00 N ATOM 1463 CA GLY A 91 0.126 6.444 -5.717 1.00 0.00 C ATOM 1464 C GLY A 91 0.172 5.159 -4.912 1.00 0.00 C ATOM 1465 O GLY A 91 1.188 4.464 -4.899 1.00 0.00 O ATOM 0 H GLY A 91 -1.523 6.252 -6.995 1.00 0.00 H new ATOM 0 HA2 GLY A 91 0.786 6.353 -6.580 1.00 0.00 H new ATOM 0 HA3 GLY A 91 0.508 7.264 -5.109 1.00 0.00 H new ATOM 1469 N LEU A 92 -0.930 4.846 -4.239 1.00 0.00 N ATOM 1470 CA LEU A 92 -1.012 3.636 -3.428 1.00 0.00 C ATOM 1471 C LEU A 92 -1.117 2.396 -4.308 1.00 0.00 C ATOM 1472 O LEU A 92 -0.366 1.434 -4.135 1.00 0.00 O ATOM 1473 CB LEU A 92 -2.214 3.711 -2.484 1.00 0.00 C ATOM 1474 CG LEU A 92 -2.288 4.976 -1.628 1.00 0.00 C ATOM 1475 CD1 LEU A 92 -3.609 5.035 -0.877 1.00 0.00 C ATOM 1476 CD2 LEU A 92 -1.117 5.031 -0.658 1.00 0.00 C ATOM 0 H LEU A 92 -1.778 5.413 -4.239 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.099 3.562 -2.837 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -3.126 3.638 -3.076 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.192 2.844 -1.823 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.230 5.843 -2.286 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -3.644 5.942 -0.273 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -4.433 5.042 -1.590 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.698 4.163 -0.228 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.185 5.937 -0.057 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.145 4.159 -0.005 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.181 5.036 -1.217 1.00 0.00 H new ATOM 1488 N GLU A 93 -2.052 2.422 -5.252 1.00 0.00 N ATOM 1489 CA GLU A 93 -2.255 1.296 -6.158 1.00 0.00 C ATOM 1490 C GLU A 93 -0.977 0.981 -6.932 1.00 0.00 C ATOM 1491 O GLU A 93 -0.624 -0.183 -7.117 1.00 0.00 O ATOM 1492 CB GLU A 93 -3.396 1.593 -7.135 1.00 0.00 C ATOM 1493 CG GLU A 93 -3.357 3.002 -7.711 1.00 0.00 C ATOM 1494 CD GLU A 93 -3.246 3.013 -9.224 1.00 0.00 C ATOM 1495 OE1 GLU A 93 -2.312 2.375 -9.754 1.00 0.00 O ATOM 1496 OE2 GLU A 93 -4.093 3.658 -9.876 1.00 0.00 O ATOM 0 H GLU A 93 -2.681 3.209 -5.410 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.520 0.426 -5.557 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.358 0.874 -7.954 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.348 1.445 -6.624 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -4.259 3.537 -7.413 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -2.511 3.541 -7.285 1.00 0.00 H new ATOM 1503 N ARG A 94 -0.287 2.026 -7.377 1.00 0.00 N ATOM 1504 CA ARG A 94 0.952 1.860 -8.127 1.00 0.00 C ATOM 1505 C ARG A 94 2.020 1.198 -7.263 1.00 0.00 C ATOM 1506 O ARG A 94 2.866 0.456 -7.762 1.00 0.00 O ATOM 1507 CB ARG A 94 1.455 3.214 -8.631 1.00 0.00 C ATOM 1508 CG ARG A 94 0.789 3.669 -9.920 1.00 0.00 C ATOM 1509 CD ARG A 94 -0.166 4.828 -9.680 1.00 0.00 C ATOM 1510 NE ARG A 94 0.544 6.090 -9.482 1.00 0.00 N ATOM 1511 CZ ARG A 94 1.063 6.811 -10.472 1.00 0.00 C ATOM 1512 NH1 ARG A 94 0.955 6.399 -11.730 1.00 0.00 N ATOM 1513 NH2 ARG A 94 1.691 7.948 -10.205 1.00 0.00 N ATOM 0 H ARG A 94 -0.565 2.996 -7.231 1.00 0.00 H new ATOM 0 HA ARG A 94 0.748 1.217 -8.983 1.00 0.00 H new ATOM 0 HB2 ARG A 94 1.286 3.965 -7.860 1.00 0.00 H new ATOM 0 HB3 ARG A 94 2.532 3.156 -8.789 1.00 0.00 H new ATOM 0 HG2 ARG A 94 1.552 3.969 -10.638 1.00 0.00 H new ATOM 0 HG3 ARG A 94 0.245 2.835 -10.363 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -0.843 4.922 -10.529 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -0.780 4.616 -8.805 1.00 0.00 H new ATOM 0 HE ARG A 94 0.648 6.438 -8.529 1.00 0.00 H new ATOM 0 HH11 ARG A 94 0.472 5.526 -11.941 1.00 0.00 H new ATOM 0 HH12 ARG A 94 1.355 6.956 -12.485 1.00 0.00 H new ATOM 0 HH21 ARG A 94 1.776 8.269 -9.241 1.00 0.00 H new ATOM 0 HH22 ARG A 94 2.089 8.501 -10.964 1.00 0.00 H new ATOM 1527 N PHE A 95 1.973 1.473 -5.963 1.00 0.00 N ATOM 1528 CA PHE A 95 2.935 0.906 -5.024 1.00 0.00 C ATOM 1529 C PHE A 95 2.801 -0.613 -4.960 1.00 0.00 C ATOM 1530 O PHE A 95 3.794 -1.329 -4.844 1.00 0.00 O ATOM 1531 CB PHE A 95 2.731 1.511 -3.634 1.00 0.00 C ATOM 1532 CG PHE A 95 3.783 1.111 -2.639 1.00 0.00 C ATOM 1533 CD1 PHE A 95 3.715 -0.114 -1.994 1.00 0.00 C ATOM 1534 CD2 PHE A 95 4.838 1.961 -2.345 1.00 0.00 C ATOM 1535 CE1 PHE A 95 4.680 -0.484 -1.076 1.00 0.00 C ATOM 1536 CE2 PHE A 95 5.805 1.596 -1.429 1.00 0.00 C ATOM 1537 CZ PHE A 95 5.726 0.372 -0.793 1.00 0.00 C ATOM 0 H PHE A 95 1.278 2.086 -5.536 1.00 0.00 H new ATOM 0 HA PHE A 95 3.939 1.147 -5.374 1.00 0.00 H new ATOM 0 HB2 PHE A 95 2.719 2.598 -3.719 1.00 0.00 H new ATOM 0 HB3 PHE A 95 1.754 1.210 -3.257 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.899 -0.787 -2.211 1.00 0.00 H new ATOM 0 HD2 PHE A 95 4.904 2.920 -2.838 1.00 0.00 H new ATOM 0 HE1 PHE A 95 4.616 -1.442 -0.581 1.00 0.00 H new ATOM 0 HE2 PHE A 95 6.622 2.267 -1.210 1.00 0.00 H new ATOM 0 HZ PHE A 95 6.481 0.085 -0.076 1.00 0.00 H new ATOM 1547 N LEU A 96 1.565 -1.097 -5.036 1.00 0.00 N ATOM 1548 CA LEU A 96 1.302 -2.532 -4.986 1.00 0.00 C ATOM 1549 C LEU A 96 1.374 -3.151 -6.380 1.00 0.00 C ATOM 1550 O LEU A 96 1.687 -4.332 -6.528 1.00 0.00 O ATOM 1551 CB LEU A 96 -0.073 -2.800 -4.370 1.00 0.00 C ATOM 1552 CG LEU A 96 -0.375 -2.018 -3.090 1.00 0.00 C ATOM 1553 CD1 LEU A 96 -1.809 -2.259 -2.645 1.00 0.00 C ATOM 1554 CD2 LEU A 96 0.601 -2.407 -1.988 1.00 0.00 C ATOM 0 H LEU A 96 0.731 -0.518 -5.132 1.00 0.00 H new ATOM 0 HA LEU A 96 2.069 -2.992 -4.363 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.838 -2.564 -5.110 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.156 -3.865 -4.154 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.255 -0.955 -3.297 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.007 -1.695 -1.733 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.493 -1.933 -3.429 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.957 -3.322 -2.454 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.373 -1.842 -1.084 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.511 -3.474 -1.782 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.619 -2.184 -2.308 1.00 0.00 H new ATOM 1566 N ASN A 97 1.074 -2.351 -7.397 1.00 0.00 N ATOM 1567 CA ASN A 97 1.099 -2.825 -8.777 1.00 0.00 C ATOM 1568 C ASN A 97 2.476 -3.366 -9.154 1.00 0.00 C ATOM 1569 O ASN A 97 2.618 -4.535 -9.509 1.00 0.00 O ATOM 1570 CB ASN A 97 0.704 -1.694 -9.731 1.00 0.00 C ATOM 1571 CG ASN A 97 -0.710 -1.848 -10.256 1.00 0.00 C ATOM 1572 OD1 ASN A 97 -0.939 -2.511 -11.268 1.00 0.00 O ATOM 1573 ND2 ASN A 97 -1.666 -1.234 -9.570 1.00 0.00 N ATOM 0 H ASN A 97 0.811 -1.371 -7.293 1.00 0.00 H new ATOM 0 HA ASN A 97 0.379 -3.639 -8.864 1.00 0.00 H new ATOM 0 HB2 ASN A 97 0.795 -0.738 -9.215 1.00 0.00 H new ATOM 0 HB3 ASN A 97 1.400 -1.670 -10.570 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -2.637 -1.301 -9.876 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -1.430 -0.695 -8.737 1.00 0.00 H new ATOM 1580 N GLU A 98 3.486 -2.506 -9.080 1.00 0.00 N ATOM 1581 CA GLU A 98 4.851 -2.894 -9.421 1.00 0.00 C ATOM 1582 C GLU A 98 5.438 -3.855 -8.387 1.00 0.00 C ATOM 1583 O GLU A 98 6.473 -4.478 -8.628 1.00 0.00 O ATOM 1584 CB GLU A 98 5.738 -1.654 -9.542 1.00 0.00 C ATOM 1585 CG GLU A 98 7.150 -1.959 -10.014 1.00 0.00 C ATOM 1586 CD GLU A 98 7.182 -2.546 -11.411 1.00 0.00 C ATOM 1587 OE1 GLU A 98 6.464 -2.027 -12.290 1.00 0.00 O ATOM 1588 OE2 GLU A 98 7.926 -3.526 -11.627 1.00 0.00 O ATOM 0 H GLU A 98 3.386 -1.534 -8.787 1.00 0.00 H new ATOM 0 HA GLU A 98 4.818 -3.411 -10.380 1.00 0.00 H new ATOM 0 HB2 GLU A 98 5.275 -0.953 -10.237 1.00 0.00 H new ATOM 0 HB3 GLU A 98 5.787 -1.157 -8.573 1.00 0.00 H new ATOM 0 HG2 GLU A 98 7.742 -1.044 -9.995 1.00 0.00 H new ATOM 0 HG3 GLU A 98 7.619 -2.656 -9.320 1.00 0.00 H new ATOM 1595 N LEU A 99 4.780 -3.972 -7.237 1.00 0.00 N ATOM 1596 CA LEU A 99 5.252 -4.857 -6.176 1.00 0.00 C ATOM 1597 C LEU A 99 4.634 -6.247 -6.299 1.00 0.00 C ATOM 1598 O LEU A 99 5.341 -7.242 -6.455 1.00 0.00 O ATOM 1599 CB LEU A 99 4.925 -4.267 -4.806 1.00 0.00 C ATOM 1600 CG LEU A 99 5.758 -4.829 -3.654 1.00 0.00 C ATOM 1601 CD1 LEU A 99 6.215 -3.713 -2.730 1.00 0.00 C ATOM 1602 CD2 LEU A 99 4.966 -5.874 -2.886 1.00 0.00 C ATOM 0 H LEU A 99 3.922 -3.467 -7.016 1.00 0.00 H new ATOM 0 HA LEU A 99 6.333 -4.951 -6.279 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.068 -3.187 -4.847 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.870 -4.441 -4.593 1.00 0.00 H new ATOM 0 HG LEU A 99 6.644 -5.309 -4.071 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.806 -4.133 -1.917 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.822 -3.002 -3.291 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.345 -3.201 -2.319 1.00 0.00 H new ATOM 0 HD21 LEU A 99 5.574 -6.264 -2.069 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.062 -5.420 -2.481 1.00 0.00 H new ATOM 0 HD23 LEU A 99 4.693 -6.689 -3.556 1.00 0.00 H new ATOM 1614 N TYR A 100 3.309 -6.307 -6.220 1.00 0.00 N ATOM 1615 CA TYR A 100 2.590 -7.574 -6.311 1.00 0.00 C ATOM 1616 C TYR A 100 2.803 -8.232 -7.672 1.00 0.00 C ATOM 1617 O TYR A 100 2.878 -9.455 -7.774 1.00 0.00 O ATOM 1618 CB TYR A 100 1.095 -7.353 -6.066 1.00 0.00 C ATOM 1619 CG TYR A 100 0.738 -7.069 -4.620 1.00 0.00 C ATOM 1620 CD1 TYR A 100 1.707 -6.685 -3.697 1.00 0.00 C ATOM 1621 CD2 TYR A 100 -0.575 -7.182 -4.179 1.00 0.00 C ATOM 1622 CE1 TYR A 100 1.377 -6.424 -2.380 1.00 0.00 C ATOM 1623 CE2 TYR A 100 -0.912 -6.923 -2.864 1.00 0.00 C ATOM 1624 CZ TYR A 100 0.066 -6.545 -1.970 1.00 0.00 C ATOM 1625 OH TYR A 100 -0.266 -6.284 -0.660 1.00 0.00 O ATOM 0 H TYR A 100 2.710 -5.492 -6.093 1.00 0.00 H new ATOM 0 HA TYR A 100 2.985 -8.240 -5.544 1.00 0.00 H new ATOM 0 HB2 TYR A 100 0.756 -6.520 -6.683 1.00 0.00 H new ATOM 0 HB3 TYR A 100 0.549 -8.237 -6.396 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.735 -6.589 -4.015 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -1.345 -7.477 -4.876 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.141 -6.127 -1.677 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -1.938 -7.016 -2.538 1.00 0.00 H new ATOM 0 HH TYR A 100 0.347 -5.612 -0.295 1.00 0.00 H new ATOM 1635 N ASN A 101 2.895 -7.413 -8.715 1.00 0.00 N ATOM 1636 CA ASN A 101 3.095 -7.921 -10.067 1.00 0.00 C ATOM 1637 C ASN A 101 4.578 -8.142 -10.356 1.00 0.00 C ATOM 1638 O ASN A 101 5.129 -7.581 -11.304 1.00 0.00 O ATOM 1639 CB ASN A 101 2.497 -6.954 -11.091 1.00 0.00 C ATOM 1640 CG ASN A 101 1.813 -7.675 -12.237 1.00 0.00 C ATOM 1641 OD1 ASN A 101 1.327 -8.794 -12.079 1.00 0.00 O ATOM 1642 ND2 ASN A 101 1.775 -7.034 -13.400 1.00 0.00 N ATOM 0 H ASN A 101 2.834 -6.397 -8.650 1.00 0.00 H new ATOM 0 HA ASN A 101 2.586 -8.881 -10.146 1.00 0.00 H new ATOM 0 HB2 ASN A 101 1.778 -6.302 -10.595 1.00 0.00 H new ATOM 0 HB3 ASN A 101 3.286 -6.315 -11.487 1.00 0.00 H new ATOM 0 HD21 ASN A 101 1.330 -7.469 -14.208 1.00 0.00 H new ATOM 0 HD22 ASN A 101 2.191 -6.107 -13.485 1.00 0.00 H new ATOM 1649 N ASP A 102 5.219 -8.965 -9.532 1.00 0.00 N ATOM 1650 CA ASP A 102 6.638 -9.263 -9.698 1.00 0.00 C ATOM 1651 C ASP A 102 6.859 -10.760 -9.898 1.00 0.00 C ATOM 1652 O ASP A 102 6.308 -11.581 -9.165 1.00 0.00 O ATOM 1653 CB ASP A 102 7.428 -8.778 -8.481 1.00 0.00 C ATOM 1654 CG ASP A 102 7.628 -7.276 -8.485 1.00 0.00 C ATOM 1655 OD1 ASP A 102 7.522 -6.664 -9.569 1.00 0.00 O ATOM 1656 OD2 ASP A 102 7.891 -6.709 -7.402 1.00 0.00 O ATOM 0 H ASP A 102 4.779 -9.438 -8.743 1.00 0.00 H new ATOM 0 HA ASP A 102 6.993 -8.739 -10.585 1.00 0.00 H new ATOM 0 HB2 ASP A 102 6.904 -9.070 -7.571 1.00 0.00 H new ATOM 0 HB3 ASP A 102 8.400 -9.271 -8.461 1.00 0.00 H new ATOM 1661 N ARG A 103 7.665 -11.106 -10.897 1.00 0.00 N ATOM 1662 CA ARG A 103 7.956 -12.505 -11.193 1.00 0.00 C ATOM 1663 C ARG A 103 9.434 -12.816 -10.972 1.00 0.00 C ATOM 1664 O ARG A 103 9.780 -13.832 -10.369 1.00 0.00 O ATOM 1665 CB ARG A 103 7.563 -12.836 -12.634 1.00 0.00 C ATOM 1666 CG ARG A 103 8.325 -12.032 -13.675 1.00 0.00 C ATOM 1667 CD ARG A 103 7.857 -12.359 -15.084 1.00 0.00 C ATOM 1668 NE ARG A 103 8.882 -12.065 -16.083 1.00 0.00 N ATOM 1669 CZ ARG A 103 9.162 -10.839 -16.519 1.00 0.00 C ATOM 1670 NH1 ARG A 103 8.500 -9.791 -16.046 1.00 0.00 N ATOM 1671 NH2 ARG A 103 10.110 -10.662 -17.430 1.00 0.00 N ATOM 0 H ARG A 103 8.128 -10.439 -11.514 1.00 0.00 H new ATOM 0 HA ARG A 103 7.370 -13.122 -10.512 1.00 0.00 H new ATOM 0 HB2 ARG A 103 7.732 -13.898 -12.813 1.00 0.00 H new ATOM 0 HB3 ARG A 103 6.495 -12.658 -12.760 1.00 0.00 H new ATOM 0 HG2 ARG A 103 8.191 -10.967 -13.484 1.00 0.00 H new ATOM 0 HG3 ARG A 103 9.391 -12.240 -13.587 1.00 0.00 H new ATOM 0 HD2 ARG A 103 7.587 -13.414 -15.141 1.00 0.00 H new ATOM 0 HD3 ARG A 103 6.957 -11.787 -15.309 1.00 0.00 H new ATOM 0 HE ARG A 103 9.414 -12.845 -16.469 1.00 0.00 H new ATOM 0 HH11 ARG A 103 7.772 -9.922 -15.344 1.00 0.00 H new ATOM 0 HH12 ARG A 103 8.719 -8.854 -16.384 1.00 0.00 H new ATOM 0 HH21 ARG A 103 10.623 -11.465 -17.795 1.00 0.00 H new ATOM 0 HH22 ARG A 103 10.326 -9.723 -17.765 1.00 0.00 H new ATOM 1685 N PHE A 104 10.300 -11.936 -11.463 1.00 0.00 N ATOM 1686 CA PHE A 104 11.740 -12.118 -11.317 1.00 0.00 C ATOM 1687 C PHE A 104 12.170 -11.894 -9.871 1.00 0.00 C ATOM 1688 O PHE A 104 12.824 -12.745 -9.267 1.00 0.00 O ATOM 1689 CB PHE A 104 12.494 -11.161 -12.241 1.00 0.00 C ATOM 1690 CG PHE A 104 13.600 -11.821 -13.015 1.00 0.00 C ATOM 1691 CD1 PHE A 104 13.348 -12.407 -14.246 1.00 0.00 C ATOM 1692 CD2 PHE A 104 14.890 -11.858 -12.511 1.00 0.00 C ATOM 1693 CE1 PHE A 104 14.362 -13.016 -14.959 1.00 0.00 C ATOM 1694 CE2 PHE A 104 15.909 -12.465 -13.220 1.00 0.00 C ATOM 1695 CZ PHE A 104 15.644 -13.046 -14.446 1.00 0.00 C ATOM 0 H PHE A 104 10.030 -11.090 -11.965 1.00 0.00 H new ATOM 0 HA PHE A 104 11.982 -13.144 -11.596 1.00 0.00 H new ATOM 0 HB2 PHE A 104 11.789 -10.713 -12.941 1.00 0.00 H new ATOM 0 HB3 PHE A 104 12.912 -10.349 -11.647 1.00 0.00 H new ATOM 0 HD1 PHE A 104 12.347 -12.387 -14.652 1.00 0.00 H new ATOM 0 HD2 PHE A 104 15.102 -11.407 -11.553 1.00 0.00 H new ATOM 0 HE1 PHE A 104 14.153 -13.468 -15.917 1.00 0.00 H new ATOM 0 HE2 PHE A 104 16.911 -12.485 -12.817 1.00 0.00 H new ATOM 0 HZ PHE A 104 16.438 -13.523 -15.002 1.00 0.00 H new ATOM 1705 N ASP A 105 11.796 -10.744 -9.321 1.00 0.00 N ATOM 1706 CA ASP A 105 12.140 -10.406 -7.945 1.00 0.00 C ATOM 1707 C ASP A 105 10.889 -10.076 -7.139 1.00 0.00 C ATOM 1708 O ASP A 105 10.291 -9.014 -7.308 1.00 0.00 O ATOM 1709 CB ASP A 105 13.106 -9.222 -7.915 1.00 0.00 C ATOM 1710 CG ASP A 105 14.523 -9.623 -8.274 1.00 0.00 C ATOM 1711 OD1 ASP A 105 14.985 -10.674 -7.784 1.00 0.00 O ATOM 1712 OD2 ASP A 105 15.172 -8.885 -9.045 1.00 0.00 O ATOM 0 H ASP A 105 11.254 -10.030 -9.807 1.00 0.00 H new ATOM 0 HA ASP A 105 12.624 -11.272 -7.494 1.00 0.00 H new ATOM 0 HB2 ASP A 105 12.761 -8.457 -8.610 1.00 0.00 H new ATOM 0 HB3 ASP A 105 13.099 -8.776 -6.921 1.00 0.00 H new ATOM 1717 N SER A 106 10.499 -10.996 -6.264 1.00 0.00 N ATOM 1718 CA SER A 106 9.318 -10.804 -5.431 1.00 0.00 C ATOM 1719 C SER A 106 9.698 -10.692 -3.960 1.00 0.00 C ATOM 1720 O SER A 106 8.908 -11.027 -3.079 1.00 0.00 O ATOM 1721 CB SER A 106 8.335 -11.959 -5.628 1.00 0.00 C ATOM 1722 OG SER A 106 9.017 -13.191 -5.779 1.00 0.00 O ATOM 0 H SER A 106 10.983 -11.881 -6.113 1.00 0.00 H new ATOM 0 HA SER A 106 8.841 -9.872 -5.735 1.00 0.00 H new ATOM 0 HB2 SER A 106 7.661 -12.016 -4.774 1.00 0.00 H new ATOM 0 HB3 SER A 106 7.720 -11.771 -6.508 1.00 0.00 H new ATOM 0 HG SER A 106 8.365 -13.913 -5.902 1.00 0.00 H new ATOM 1728 N ARG A 107 10.910 -10.215 -3.698 1.00 0.00 N ATOM 1729 CA ARG A 107 11.384 -10.057 -2.329 1.00 0.00 C ATOM 1730 C ARG A 107 10.538 -9.027 -1.586 1.00 0.00 C ATOM 1731 O ARG A 107 10.392 -9.092 -0.365 1.00 0.00 O ATOM 1732 CB ARG A 107 12.853 -9.627 -2.315 1.00 0.00 C ATOM 1733 CG ARG A 107 13.737 -10.440 -3.246 1.00 0.00 C ATOM 1734 CD ARG A 107 14.751 -9.560 -3.960 1.00 0.00 C ATOM 1735 NE ARG A 107 14.107 -8.564 -4.813 1.00 0.00 N ATOM 1736 CZ ARG A 107 14.761 -7.583 -5.431 1.00 0.00 C ATOM 1737 NH1 ARG A 107 16.076 -7.462 -5.292 1.00 0.00 N ATOM 1738 NH2 ARG A 107 14.099 -6.720 -6.190 1.00 0.00 N ATOM 0 H ARG A 107 11.580 -9.932 -4.413 1.00 0.00 H new ATOM 0 HA ARG A 107 11.293 -11.019 -1.825 1.00 0.00 H new ATOM 0 HB2 ARG A 107 12.917 -8.575 -2.594 1.00 0.00 H new ATOM 0 HB3 ARG A 107 13.237 -9.711 -1.298 1.00 0.00 H new ATOM 0 HG2 ARG A 107 14.258 -11.209 -2.676 1.00 0.00 H new ATOM 0 HG3 ARG A 107 13.118 -10.954 -3.981 1.00 0.00 H new ATOM 0 HD2 ARG A 107 15.376 -9.056 -3.223 1.00 0.00 H new ATOM 0 HD3 ARG A 107 15.410 -10.183 -4.564 1.00 0.00 H new ATOM 0 HE ARG A 107 13.097 -8.624 -4.943 1.00 0.00 H new ATOM 0 HH11 ARG A 107 16.590 -8.123 -4.709 1.00 0.00 H new ATOM 0 HH12 ARG A 107 16.572 -6.708 -5.768 1.00 0.00 H new ATOM 0 HH21 ARG A 107 13.089 -6.808 -6.300 1.00 0.00 H new ATOM 0 HH22 ARG A 107 14.600 -5.968 -6.664 1.00 0.00 H new ATOM 1752 N TRP A 108 9.983 -8.079 -2.333 1.00 0.00 N ATOM 1753 CA TRP A 108 9.152 -7.032 -1.751 1.00 0.00 C ATOM 1754 C TRP A 108 7.803 -7.586 -1.301 1.00 0.00 C ATOM 1755 O TRP A 108 7.255 -7.155 -0.286 1.00 0.00 O ATOM 1756 CB TRP A 108 8.942 -5.901 -2.761 1.00 0.00 C ATOM 1757 CG TRP A 108 10.223 -5.373 -3.333 1.00 0.00 C ATOM 1758 CD1 TRP A 108 10.769 -5.684 -4.546 1.00 0.00 C ATOM 1759 CD2 TRP A 108 11.121 -4.446 -2.714 1.00 0.00 C ATOM 1760 NE1 TRP A 108 11.951 -5.005 -4.719 1.00 0.00 N ATOM 1761 CE2 TRP A 108 12.189 -4.238 -3.608 1.00 0.00 C ATOM 1762 CE3 TRP A 108 11.125 -3.769 -1.491 1.00 0.00 C ATOM 1763 CZ2 TRP A 108 13.249 -3.383 -3.316 1.00 0.00 C ATOM 1764 CZ3 TRP A 108 12.177 -2.921 -1.202 1.00 0.00 C ATOM 1765 CH2 TRP A 108 13.226 -2.734 -2.112 1.00 0.00 C ATOM 0 H TRP A 108 10.094 -8.014 -3.345 1.00 0.00 H new ATOM 0 HA TRP A 108 9.669 -6.640 -0.875 1.00 0.00 H new ATOM 0 HB2 TRP A 108 8.310 -6.261 -3.573 1.00 0.00 H new ATOM 0 HB3 TRP A 108 8.405 -5.086 -2.277 1.00 0.00 H new ATOM 0 HD1 TRP A 108 10.335 -6.364 -5.264 1.00 0.00 H new ATOM 0 HE1 TRP A 108 12.553 -5.062 -5.540 1.00 0.00 H new ATOM 0 HE3 TRP A 108 10.320 -3.906 -0.784 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 14.060 -3.238 -4.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 12.191 -2.394 -0.260 1.00 0.00 H new ATOM 0 HH2 TRP A 108 14.033 -2.063 -1.857 1.00 0.00 H new ATOM 1776 N ARG A 109 7.273 -8.541 -2.060 1.00 0.00 N ATOM 1777 CA ARG A 109 5.987 -9.147 -1.730 1.00 0.00 C ATOM 1778 C ARG A 109 6.175 -10.398 -0.877 1.00 0.00 C ATOM 1779 O ARG A 109 5.316 -10.743 -0.066 1.00 0.00 O ATOM 1780 CB ARG A 109 5.219 -9.495 -3.006 1.00 0.00 C ATOM 1781 CG ARG A 109 5.900 -10.548 -3.863 1.00 0.00 C ATOM 1782 CD ARG A 109 5.333 -10.570 -5.274 1.00 0.00 C ATOM 1783 NE ARG A 109 3.949 -11.041 -5.299 1.00 0.00 N ATOM 1784 CZ ARG A 109 3.602 -12.325 -5.237 1.00 0.00 C ATOM 1785 NH1 ARG A 109 4.533 -13.268 -5.150 1.00 0.00 N ATOM 1786 NH2 ARG A 109 2.322 -12.666 -5.262 1.00 0.00 N ATOM 0 H ARG A 109 7.712 -8.910 -2.904 1.00 0.00 H new ATOM 0 HA ARG A 109 5.411 -8.422 -1.155 1.00 0.00 H new ATOM 0 HB2 ARG A 109 4.224 -9.848 -2.735 1.00 0.00 H new ATOM 0 HB3 ARG A 109 5.086 -8.589 -3.597 1.00 0.00 H new ATOM 0 HG2 ARG A 109 6.971 -10.349 -3.903 1.00 0.00 H new ATOM 0 HG3 ARG A 109 5.775 -11.529 -3.404 1.00 0.00 H new ATOM 0 HD2 ARG A 109 5.383 -9.568 -5.701 1.00 0.00 H new ATOM 0 HD3 ARG A 109 5.947 -11.215 -5.902 1.00 0.00 H new ATOM 0 HE ARG A 109 3.206 -10.345 -5.368 1.00 0.00 H new ATOM 0 HH11 ARG A 109 5.520 -13.010 -5.130 1.00 0.00 H new ATOM 0 HH12 ARG A 109 4.261 -14.250 -5.103 1.00 0.00 H new ATOM 0 HH21 ARG A 109 1.603 -11.945 -5.329 1.00 0.00 H new ATOM 0 HH22 ARG A 109 2.055 -13.649 -5.215 1.00 0.00 H new ATOM 1800 N ASP A 110 7.306 -11.072 -1.063 1.00 0.00 N ATOM 1801 CA ASP A 110 7.606 -12.283 -0.309 1.00 0.00 C ATOM 1802 C ASP A 110 7.764 -11.974 1.177 1.00 0.00 C ATOM 1803 O ASP A 110 7.478 -12.814 2.030 1.00 0.00 O ATOM 1804 CB ASP A 110 8.882 -12.939 -0.843 1.00 0.00 C ATOM 1805 CG ASP A 110 9.046 -14.365 -0.356 1.00 0.00 C ATOM 1806 OD1 ASP A 110 9.144 -14.566 0.872 1.00 0.00 O ATOM 1807 OD2 ASP A 110 9.076 -15.282 -1.204 1.00 0.00 O ATOM 0 H ASP A 110 8.029 -10.800 -1.729 1.00 0.00 H new ATOM 0 HA ASP A 110 6.771 -12.973 -0.432 1.00 0.00 H new ATOM 0 HB2 ASP A 110 8.863 -12.930 -1.933 1.00 0.00 H new ATOM 0 HB3 ASP A 110 9.746 -12.351 -0.534 1.00 0.00 H new ATOM 1812 N THR A 111 8.222 -10.763 1.478 1.00 0.00 N ATOM 1813 CA THR A 111 8.420 -10.337 2.859 1.00 0.00 C ATOM 1814 C THR A 111 7.153 -10.539 3.685 1.00 0.00 C ATOM 1815 O THR A 111 6.044 -10.298 3.209 1.00 0.00 O ATOM 1816 CB THR A 111 8.841 -8.866 2.902 1.00 0.00 C ATOM 1817 OG1 THR A 111 9.045 -8.362 1.593 1.00 0.00 O ATOM 1818 CG2 THR A 111 10.111 -8.634 3.686 1.00 0.00 C ATOM 0 H THR A 111 8.464 -10.058 0.782 1.00 0.00 H new ATOM 0 HA THR A 111 9.211 -10.951 3.291 1.00 0.00 H new ATOM 0 HB THR A 111 8.023 -8.345 3.400 1.00 0.00 H new ATOM 0 HG1 THR A 111 9.810 -8.817 1.183 1.00 0.00 H new ATOM 0 HG21 THR A 111 10.355 -7.572 3.678 1.00 0.00 H new ATOM 0 HG22 THR A 111 9.969 -8.966 4.714 1.00 0.00 H new ATOM 0 HG23 THR A 111 10.927 -9.197 3.232 1.00 0.00 H new ATOM 1826 N LYS A 112 7.326 -10.979 4.928 1.00 0.00 N ATOM 1827 CA LYS A 112 6.197 -11.209 5.819 1.00 0.00 C ATOM 1828 C LYS A 112 5.432 -9.912 6.061 1.00 0.00 C ATOM 1829 O LYS A 112 4.210 -9.919 6.206 1.00 0.00 O ATOM 1830 CB LYS A 112 6.679 -11.789 7.150 1.00 0.00 C ATOM 1831 CG LYS A 112 6.778 -13.306 7.152 1.00 0.00 C ATOM 1832 CD LYS A 112 5.403 -13.955 7.163 1.00 0.00 C ATOM 1833 CE LYS A 112 5.041 -14.473 8.546 1.00 0.00 C ATOM 1834 NZ LYS A 112 4.928 -13.369 9.541 1.00 0.00 N ATOM 0 H LYS A 112 8.237 -11.183 5.339 1.00 0.00 H new ATOM 0 HA LYS A 112 5.527 -11.925 5.344 1.00 0.00 H new ATOM 0 HB2 LYS A 112 7.656 -11.369 7.387 1.00 0.00 H new ATOM 0 HB3 LYS A 112 5.997 -11.477 7.941 1.00 0.00 H new ATOM 0 HG2 LYS A 112 7.330 -13.637 6.272 1.00 0.00 H new ATOM 0 HG3 LYS A 112 7.343 -13.633 8.025 1.00 0.00 H new ATOM 0 HD2 LYS A 112 4.656 -13.231 6.837 1.00 0.00 H new ATOM 0 HD3 LYS A 112 5.382 -14.778 6.448 1.00 0.00 H new ATOM 0 HE2 LYS A 112 4.096 -15.014 8.495 1.00 0.00 H new ATOM 0 HE3 LYS A 112 5.798 -15.184 8.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 4.630 -13.758 10.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 5.851 -12.901 9.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 4.224 -12.677 9.213 1.00 0.00 H new ATOM 1848 N ILE A 113 6.161 -8.802 6.099 1.00 0.00 N ATOM 1849 CA ILE A 113 5.552 -7.496 6.317 1.00 0.00 C ATOM 1850 C ILE A 113 4.574 -7.156 5.199 1.00 0.00 C ATOM 1851 O ILE A 113 3.528 -6.552 5.436 1.00 0.00 O ATOM 1852 CB ILE A 113 6.617 -6.385 6.404 1.00 0.00 C ATOM 1853 CG1 ILE A 113 7.467 -6.364 5.135 1.00 0.00 C ATOM 1854 CG2 ILE A 113 7.499 -6.583 7.627 1.00 0.00 C ATOM 1855 CD1 ILE A 113 8.519 -5.278 5.132 1.00 0.00 C ATOM 0 H ILE A 113 7.174 -8.781 5.982 1.00 0.00 H new ATOM 0 HA ILE A 113 5.017 -7.551 7.265 1.00 0.00 H new ATOM 0 HB ILE A 113 6.107 -5.426 6.499 1.00 0.00 H new ATOM 0 HG12 ILE A 113 7.955 -7.332 5.018 1.00 0.00 H new ATOM 0 HG13 ILE A 113 6.815 -6.229 4.272 1.00 0.00 H new ATOM 0 HG21 ILE A 113 8.244 -5.789 7.671 1.00 0.00 H new ATOM 0 HG22 ILE A 113 6.885 -6.554 8.527 1.00 0.00 H new ATOM 0 HG23 ILE A 113 8.001 -7.548 7.561 1.00 0.00 H new ATOM 0 HD11 ILE A 113 9.085 -5.322 4.201 1.00 0.00 H new ATOM 0 HD12 ILE A 113 8.037 -4.304 5.218 1.00 0.00 H new ATOM 0 HD13 ILE A 113 9.195 -5.424 5.975 1.00 0.00 H new ATOM 1867 N ALA A 114 4.923 -7.549 3.978 1.00 0.00 N ATOM 1868 CA ALA A 114 4.078 -7.288 2.819 1.00 0.00 C ATOM 1869 C ALA A 114 2.776 -8.077 2.902 1.00 0.00 C ATOM 1870 O ALA A 114 1.712 -7.580 2.531 1.00 0.00 O ATOM 1871 CB ALA A 114 4.825 -7.626 1.537 1.00 0.00 C ATOM 0 H ALA A 114 5.786 -8.050 3.766 1.00 0.00 H new ATOM 0 HA ALA A 114 3.828 -6.227 2.811 1.00 0.00 H new ATOM 0 HB1 ALA A 114 4.183 -7.427 0.679 1.00 0.00 H new ATOM 0 HB2 ALA A 114 5.724 -7.014 1.468 1.00 0.00 H new ATOM 0 HB3 ALA A 114 5.103 -8.680 1.545 1.00 0.00 H new ATOM 1877 N GLN A 115 2.868 -9.310 3.390 1.00 0.00 N ATOM 1878 CA GLN A 115 1.697 -10.169 3.522 1.00 0.00 C ATOM 1879 C GLN A 115 0.732 -9.622 4.568 1.00 0.00 C ATOM 1880 O GLN A 115 -0.485 -9.658 4.383 1.00 0.00 O ATOM 1881 CB GLN A 115 2.121 -11.591 3.894 1.00 0.00 C ATOM 1882 CG GLN A 115 2.874 -12.312 2.788 1.00 0.00 C ATOM 1883 CD GLN A 115 1.992 -13.265 2.007 1.00 0.00 C ATOM 1884 OE1 GLN A 115 1.577 -14.306 2.518 1.00 0.00 O ATOM 1885 NE2 GLN A 115 1.699 -12.914 0.760 1.00 0.00 N ATOM 0 H GLN A 115 3.741 -9.736 3.700 1.00 0.00 H new ATOM 0 HA GLN A 115 1.184 -10.190 2.560 1.00 0.00 H new ATOM 0 HB2 GLN A 115 2.749 -11.552 4.784 1.00 0.00 H new ATOM 0 HB3 GLN A 115 1.234 -12.169 4.154 1.00 0.00 H new ATOM 0 HG2 GLN A 115 3.301 -11.577 2.106 1.00 0.00 H new ATOM 0 HG3 GLN A 115 3.706 -12.866 3.222 1.00 0.00 H new ATOM 0 HE21 GLN A 115 2.064 -12.042 0.376 1.00 0.00 H new ATOM 0 HE22 GLN A 115 1.109 -13.516 0.186 1.00 0.00 H new ATOM 1894 N ASP A 116 1.281 -9.113 5.667 1.00 0.00 N ATOM 1895 CA ASP A 116 0.465 -8.557 6.741 1.00 0.00 C ATOM 1896 C ASP A 116 -0.140 -7.215 6.333 1.00 0.00 C ATOM 1897 O ASP A 116 -1.129 -6.769 6.915 1.00 0.00 O ATOM 1898 CB ASP A 116 1.301 -8.389 8.010 1.00 0.00 C ATOM 1899 CG ASP A 116 1.182 -9.580 8.943 1.00 0.00 C ATOM 1900 OD1 ASP A 116 0.042 -9.948 9.293 1.00 0.00 O ATOM 1901 OD2 ASP A 116 2.231 -10.143 9.322 1.00 0.00 O ATOM 0 H ASP A 116 2.286 -9.074 5.837 1.00 0.00 H new ATOM 0 HA ASP A 116 -0.349 -9.254 6.940 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.347 -8.248 7.737 1.00 0.00 H new ATOM 0 HB3 ASP A 116 0.984 -7.487 8.534 1.00 0.00 H new ATOM 1906 N PHE A 117 0.462 -6.574 5.335 1.00 0.00 N ATOM 1907 CA PHE A 117 -0.013 -5.282 4.854 1.00 0.00 C ATOM 1908 C PHE A 117 -1.503 -5.319 4.528 1.00 0.00 C ATOM 1909 O PHE A 117 -2.257 -4.433 4.930 1.00 0.00 O ATOM 1910 CB PHE A 117 0.775 -4.864 3.613 1.00 0.00 C ATOM 1911 CG PHE A 117 0.613 -3.414 3.267 1.00 0.00 C ATOM 1912 CD1 PHE A 117 0.921 -2.434 4.192 1.00 0.00 C ATOM 1913 CD2 PHE A 117 0.149 -3.034 2.019 1.00 0.00 C ATOM 1914 CE1 PHE A 117 0.770 -1.096 3.881 1.00 0.00 C ATOM 1915 CE2 PHE A 117 -0.004 -1.698 1.699 1.00 0.00 C ATOM 1916 CZ PHE A 117 0.307 -0.728 2.633 1.00 0.00 C ATOM 0 H PHE A 117 1.282 -6.930 4.843 1.00 0.00 H new ATOM 0 HA PHE A 117 0.142 -4.554 5.650 1.00 0.00 H new ATOM 0 HB2 PHE A 117 1.832 -5.076 3.774 1.00 0.00 H new ATOM 0 HB3 PHE A 117 0.454 -5.470 2.766 1.00 0.00 H new ATOM 0 HD1 PHE A 117 1.284 -2.717 5.169 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -0.096 -3.790 1.287 1.00 0.00 H new ATOM 0 HE1 PHE A 117 1.014 -0.340 4.612 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -0.365 -1.413 0.722 1.00 0.00 H new ATOM 0 HZ PHE A 117 0.188 0.317 2.387 1.00 0.00 H new ATOM 1926 N LEU A 118 -1.923 -6.345 3.795 1.00 0.00 N ATOM 1927 CA LEU A 118 -3.325 -6.486 3.415 1.00 0.00 C ATOM 1928 C LEU A 118 -4.003 -7.602 4.204 1.00 0.00 C ATOM 1929 O LEU A 118 -4.986 -8.185 3.748 1.00 0.00 O ATOM 1930 CB LEU A 118 -3.442 -6.764 1.912 1.00 0.00 C ATOM 1931 CG LEU A 118 -3.011 -5.617 0.989 1.00 0.00 C ATOM 1932 CD1 LEU A 118 -3.598 -5.805 -0.401 1.00 0.00 C ATOM 1933 CD2 LEU A 118 -3.431 -4.269 1.562 1.00 0.00 C ATOM 0 H LEU A 118 -1.315 -7.089 3.453 1.00 0.00 H new ATOM 0 HA LEU A 118 -3.830 -5.549 3.648 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -2.841 -7.642 1.675 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -4.478 -7.017 1.687 1.00 0.00 H new ATOM 0 HG LEU A 118 -1.924 -5.632 0.916 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -3.283 -4.983 -1.043 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -3.247 -6.748 -0.820 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -4.686 -5.819 -0.338 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -3.114 -3.473 0.889 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -4.515 -4.242 1.671 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -2.965 -4.127 2.537 1.00 0.00 H new ATOM 1945 N GLN A 119 -3.476 -7.896 5.389 1.00 0.00 N ATOM 1946 CA GLN A 119 -4.037 -8.941 6.236 1.00 0.00 C ATOM 1947 C GLN A 119 -4.096 -10.270 5.490 1.00 0.00 C ATOM 1948 O GLN A 119 -5.107 -10.972 5.525 1.00 0.00 O ATOM 1949 CB GLN A 119 -5.437 -8.545 6.710 1.00 0.00 C ATOM 1950 CG GLN A 119 -5.500 -7.161 7.339 1.00 0.00 C ATOM 1951 CD GLN A 119 -6.808 -6.908 8.060 1.00 0.00 C ATOM 1952 OE1 GLN A 119 -7.332 -7.784 8.747 1.00 0.00 O ATOM 1953 NE2 GLN A 119 -7.345 -5.702 7.906 1.00 0.00 N ATOM 0 H GLN A 119 -2.662 -7.425 5.783 1.00 0.00 H new ATOM 0 HA GLN A 119 -3.388 -9.060 7.104 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -6.122 -8.581 5.863 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -5.787 -9.280 7.434 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -4.674 -7.047 8.041 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -5.365 -6.407 6.564 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -6.876 -5.005 7.327 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -8.226 -5.473 8.367 1.00 0.00 H new ATOM 1962 N LEU A 120 -3.003 -10.609 4.813 1.00 0.00 N ATOM 1963 CA LEU A 120 -2.929 -11.853 4.055 1.00 0.00 C ATOM 1964 C LEU A 120 -2.354 -12.979 4.907 1.00 0.00 C ATOM 1965 O LEU A 120 -1.587 -13.810 4.421 1.00 0.00 O ATOM 1966 CB LEU A 120 -2.076 -11.659 2.799 1.00 0.00 C ATOM 1967 CG LEU A 120 -2.197 -10.285 2.134 1.00 0.00 C ATOM 1968 CD1 LEU A 120 -0.955 -9.974 1.310 1.00 0.00 C ATOM 1969 CD2 LEU A 120 -3.447 -10.224 1.268 1.00 0.00 C ATOM 0 H LEU A 120 -2.157 -10.040 4.774 1.00 0.00 H new ATOM 0 HA LEU A 120 -3.941 -12.129 3.760 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -1.031 -11.828 3.059 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -2.351 -12.423 2.071 1.00 0.00 H new ATOM 0 HG LEU A 120 -2.282 -9.530 2.916 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -1.062 -8.993 0.846 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -0.079 -9.975 1.958 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -0.834 -10.731 0.535 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -3.519 -9.241 0.802 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -3.391 -10.989 0.494 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -4.327 -10.398 1.887 1.00 0.00 H new ATOM 1981 N SER A 121 -2.733 -13.002 6.180 1.00 0.00 N ATOM 1982 CA SER A 121 -2.259 -14.029 7.102 1.00 0.00 C ATOM 1983 C SER A 121 -3.431 -14.799 7.702 1.00 0.00 C ATOM 1984 O SER A 121 -4.208 -14.254 8.486 1.00 0.00 O ATOM 1985 CB SER A 121 -1.425 -13.396 8.218 1.00 0.00 C ATOM 1986 OG SER A 121 -0.049 -13.375 7.876 1.00 0.00 O ATOM 0 H SER A 121 -3.367 -12.321 6.598 1.00 0.00 H new ATOM 0 HA SER A 121 -1.635 -14.726 6.543 1.00 0.00 H new ATOM 0 HB2 SER A 121 -1.772 -12.380 8.404 1.00 0.00 H new ATOM 0 HB3 SER A 121 -1.565 -13.955 9.143 1.00 0.00 H new ATOM 0 HG SER A 121 0.463 -12.964 8.604 1.00 0.00 H new ATOM 1992 N LYS A 122 -3.556 -16.067 7.326 1.00 0.00 N ATOM 1993 CA LYS A 122 -4.637 -16.910 7.825 1.00 0.00 C ATOM 1994 C LYS A 122 -4.480 -17.170 9.324 1.00 0.00 C ATOM 1995 O LYS A 122 -3.388 -17.486 9.794 1.00 0.00 O ATOM 1996 CB LYS A 122 -4.669 -18.238 7.065 1.00 0.00 C ATOM 1997 CG LYS A 122 -6.062 -18.640 6.607 1.00 0.00 C ATOM 1998 CD LYS A 122 -6.017 -19.832 5.663 1.00 0.00 C ATOM 1999 CE LYS A 122 -6.394 -21.121 6.376 1.00 0.00 C ATOM 2000 NZ LYS A 122 -6.552 -22.255 5.425 1.00 0.00 N ATOM 0 H LYS A 122 -2.922 -16.534 6.677 1.00 0.00 H new ATOM 0 HA LYS A 122 -5.578 -16.384 7.663 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -4.016 -18.166 6.195 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -4.264 -19.023 7.704 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -6.675 -18.885 7.475 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -6.539 -17.797 6.107 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -6.699 -19.663 4.829 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -5.016 -19.927 5.242 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -5.627 -21.367 7.111 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -7.325 -20.974 6.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -6.809 -23.115 5.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -7.301 -22.031 4.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -5.656 -22.412 4.920 1.00 0.00 H new ATOM 2014 N PRO A 123 -5.575 -17.040 10.097 1.00 0.00 N ATOM 2015 CA PRO A 123 -5.548 -17.265 11.544 1.00 0.00 C ATOM 2016 C PRO A 123 -5.507 -18.748 11.898 1.00 0.00 C ATOM 2017 O PRO A 123 -6.033 -19.585 11.165 1.00 0.00 O ATOM 2018 CB PRO A 123 -6.857 -16.638 12.017 1.00 0.00 C ATOM 2019 CG PRO A 123 -7.780 -16.780 10.856 1.00 0.00 C ATOM 2020 CD PRO A 123 -6.924 -16.667 9.623 1.00 0.00 C ATOM 0 HA PRO A 123 -4.660 -16.838 12.010 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -7.246 -17.149 12.898 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -6.720 -15.592 12.289 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -8.297 -17.739 10.885 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -8.546 -16.005 10.871 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -7.269 -17.334 8.833 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -6.940 -15.656 9.216 1.00 0.00 H new ATOM 2028 N ASN A 124 -4.880 -19.065 13.025 1.00 0.00 N ATOM 2029 CA ASN A 124 -4.773 -20.447 13.476 1.00 0.00 C ATOM 2030 C ASN A 124 -6.029 -20.871 14.232 1.00 0.00 C ATOM 2031 O ASN A 124 -7.032 -20.128 14.174 1.00 0.00 O ATOM 2032 CB ASN A 124 -3.542 -20.621 14.367 1.00 0.00 C ATOM 2033 CG ASN A 124 -2.372 -21.236 13.624 1.00 0.00 C ATOM 2034 OD1 ASN A 124 -2.531 -22.217 12.897 1.00 0.00 O ATOM 2035 ND2 ASN A 124 -1.189 -20.661 13.802 1.00 0.00 N ATOM 2036 OXT ASN A 124 -5.999 -21.943 14.873 1.00 0.00 O ATOM 0 H ASN A 124 -4.438 -18.384 13.643 1.00 0.00 H new ATOM 0 HA ASN A 124 -4.668 -21.083 12.597 1.00 0.00 H new ATOM 0 HB2 ASN A 124 -3.246 -19.651 14.766 1.00 0.00 H new ATOM 0 HB3 ASN A 124 -3.799 -21.251 15.219 1.00 0.00 H new ATOM 0 HD21 ASN A 124 -0.366 -21.031 13.327 1.00 0.00 H new ATOM 0 HD22 ASN A 124 -1.103 -19.849 14.414 1.00 0.00 H new TER 2043 ASN A 124