USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 750 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 HIS : no HD1:sc= -0.143 X(o=-0.15,f=-0.46) USER MOD Set 1.2: A 66 THR OG1 : rot 180:sc=-0.00353 USER MOD Set 2.1: A 61 SER OG : rot 180:sc= -1.04 USER MOD Set 2.2: A 90 ASN : amide:sc= -0.416 K(o=-1.5,f=-6.3) USER MOD Set 3.1: A 15 LYS NZ :NH3+ -121:sc= -3.81! (180deg=-7.5!) USER MOD Set 3.2: A 17 TYR OH : rot -15:sc= -0.318 USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc=-0.00367 X(o=-0.0037,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -140:sc= -2.32! USER MOD Single : A 13 ASN : amide:sc= -0.357 X(o=-0.36,f=-0.7) USER MOD Single : A 14 MET CE :methyl 167:sc= 0 (180deg=-0.134) USER MOD Single : A 19 ASN : amide:sc= -0.651 K(o=-0.65,f=-3.3!) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=-0.0053) USER MOD Single : A 27 SER OG : rot 38:sc= 0.37 USER MOD Single : A 29 ASN : amide:sc= -0.111 X(o=-0.11,f=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 ASN : amide:sc= -2.94! C(o=-2.9!,f=-4.5!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 35:sc= 0.905 USER MOD Single : A 54 LYS NZ :NH3+ -155:sc= -0.328 (180deg=-1.89) USER MOD Single : A 56 ASN : amide:sc= 0.729 K(o=0.73,f=-0.027) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN :FLIP amide:sc= -0.127 F(o=-0.68,f=-0.13) USER MOD Single : A 67 ASN : amide:sc= -0.198 X(o=-0.2,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0709 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0791 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0621 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot 13:sc= 0.445 USER MOD Single : A 80 CYS SG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0.4) USER MOD Single : A 82 SER OG : rot 180:sc= -0.584 USER MOD Single : A 83 ASN : amide:sc= -0.301 K(o=-0.3,f=-2!) USER MOD Single : A 84 SER OG : rot -62:sc= 0.125 USER MOD Single : A 87 ASN : amide:sc= -0.0982 X(o=-0.098,f=0) USER MOD Single : A 88 MET CE :methyl -138:sc= 0 (180deg=-0.0486) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -30.422 -29.171 -9.983 1.00 0.00 N ATOM 2 CA GLU A 1 -29.302 -28.393 -9.390 1.00 0.00 C ATOM 3 C GLU A 1 -29.294 -28.509 -7.866 1.00 0.00 C ATOM 4 O GLU A 1 -30.130 -27.908 -7.185 1.00 0.00 O ATOM 5 CB GLU A 1 -29.445 -26.927 -9.816 1.00 0.00 C ATOM 6 CG GLU A 1 -28.278 -26.046 -9.392 1.00 0.00 C ATOM 7 CD GLU A 1 -28.343 -24.655 -9.994 1.00 0.00 C ATOM 8 OE1 GLU A 1 -29.416 -24.018 -9.914 1.00 0.00 O ATOM 9 OE2 GLU A 1 -27.319 -24.200 -10.545 1.00 0.00 O ATOM 0 H1 GLU A 1 -30.402 -29.074 -11.018 1.00 0.00 H new ATOM 0 H2 GLU A 1 -30.321 -30.174 -9.728 1.00 0.00 H new ATOM 0 H3 GLU A 1 -31.327 -28.810 -9.619 1.00 0.00 H new ATOM 0 HA GLU A 1 -28.355 -28.795 -9.751 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -29.547 -26.882 -10.900 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -30.365 -26.524 -9.393 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -28.265 -25.966 -8.305 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -27.343 -26.522 -9.688 1.00 0.00 H new ATOM 16 N LYS A 2 -28.349 -29.285 -7.339 1.00 0.00 N ATOM 17 CA LYS A 2 -28.228 -29.483 -5.897 1.00 0.00 C ATOM 18 C LYS A 2 -26.780 -29.300 -5.444 1.00 0.00 C ATOM 19 O LYS A 2 -26.017 -30.266 -5.358 1.00 0.00 O ATOM 20 CB LYS A 2 -28.737 -30.877 -5.504 1.00 0.00 C ATOM 21 CG LYS A 2 -30.022 -30.852 -4.691 1.00 0.00 C ATOM 22 CD LYS A 2 -31.240 -30.625 -5.574 1.00 0.00 C ATOM 23 CE LYS A 2 -32.163 -29.562 -4.995 1.00 0.00 C ATOM 24 NZ LYS A 2 -33.602 -29.920 -5.152 1.00 0.00 N ATOM 0 H LYS A 2 -27.654 -29.788 -7.891 1.00 0.00 H new ATOM 0 HA LYS A 2 -28.841 -28.733 -5.397 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -28.901 -31.462 -6.409 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -27.964 -31.388 -4.930 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -30.132 -31.794 -4.154 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -29.963 -30.063 -3.941 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -30.916 -30.323 -6.570 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -31.788 -31.561 -5.687 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -31.938 -29.425 -3.937 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -31.971 -28.609 -5.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -34.193 -29.168 -4.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -33.825 -30.026 -6.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -33.793 -30.816 -4.660 1.00 0.00 H new ATOM 38 N LYS A 3 -26.406 -28.053 -5.157 1.00 0.00 N ATOM 39 CA LYS A 3 -25.051 -27.734 -4.714 1.00 0.00 C ATOM 40 C LYS A 3 -24.992 -26.335 -4.104 1.00 0.00 C ATOM 41 O LYS A 3 -24.909 -25.337 -4.822 1.00 0.00 O ATOM 42 CB LYS A 3 -24.067 -27.843 -5.885 1.00 0.00 C ATOM 43 CG LYS A 3 -23.054 -28.967 -5.724 1.00 0.00 C ATOM 44 CD LYS A 3 -22.873 -29.746 -7.017 1.00 0.00 C ATOM 45 CE LYS A 3 -22.055 -31.008 -6.795 1.00 0.00 C ATOM 46 NZ LYS A 3 -21.445 -31.509 -8.058 1.00 0.00 N ATOM 0 H LYS A 3 -27.026 -27.246 -5.224 1.00 0.00 H new ATOM 0 HA LYS A 3 -24.767 -28.454 -3.947 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -24.627 -27.999 -6.807 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -23.535 -26.898 -5.991 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -22.096 -28.552 -5.411 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -23.382 -29.643 -4.934 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -23.849 -30.010 -7.424 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -22.379 -29.116 -7.757 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -21.268 -30.806 -6.068 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -22.692 -31.782 -6.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -20.896 -32.370 -7.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -22.196 -31.726 -8.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -20.816 -30.781 -8.453 1.00 0.00 H new ATOM 60 N GLU A 4 -25.037 -26.271 -2.774 1.00 0.00 N ATOM 61 CA GLU A 4 -24.989 -24.994 -2.064 1.00 0.00 C ATOM 62 C GLU A 4 -23.610 -24.765 -1.448 1.00 0.00 C ATOM 63 O GLU A 4 -23.231 -25.430 -0.482 1.00 0.00 O ATOM 64 CB GLU A 4 -26.074 -24.934 -0.981 1.00 0.00 C ATOM 65 CG GLU A 4 -26.163 -26.188 -0.117 1.00 0.00 C ATOM 66 CD GLU A 4 -27.022 -26.001 1.122 1.00 0.00 C ATOM 67 OE1 GLU A 4 -27.014 -24.890 1.696 1.00 0.00 O ATOM 68 OE2 GLU A 4 -27.700 -26.969 1.523 1.00 0.00 O ATOM 0 H GLU A 4 -25.107 -27.088 -2.167 1.00 0.00 H new ATOM 0 HA GLU A 4 -25.178 -24.200 -2.787 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -25.882 -24.075 -0.337 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -27.039 -24.766 -1.458 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -26.570 -27.004 -0.714 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -25.159 -26.485 0.186 1.00 0.00 H new ATOM 75 N GLN A 5 -22.862 -23.821 -2.017 1.00 0.00 N ATOM 76 CA GLN A 5 -21.522 -23.502 -1.528 1.00 0.00 C ATOM 77 C GLN A 5 -21.289 -21.993 -1.522 1.00 0.00 C ATOM 78 O GLN A 5 -21.483 -21.320 -2.537 1.00 0.00 O ATOM 79 CB GLN A 5 -20.457 -24.201 -2.382 1.00 0.00 C ATOM 80 CG GLN A 5 -20.513 -23.841 -3.860 1.00 0.00 C ATOM 81 CD GLN A 5 -20.195 -25.019 -4.762 1.00 0.00 C ATOM 82 OE1 GLN A 5 -19.031 -25.292 -5.056 1.00 0.00 O ATOM 83 NE2 GLN A 5 -21.228 -25.728 -5.204 1.00 0.00 N ATOM 0 H GLN A 5 -23.161 -23.264 -2.817 1.00 0.00 H new ATOM 0 HA GLN A 5 -21.441 -23.865 -0.503 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -19.471 -23.947 -1.994 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -20.572 -25.280 -2.277 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -21.507 -23.463 -4.100 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -19.808 -23.034 -4.060 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -22.177 -25.468 -4.936 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -21.072 -26.533 -5.811 1.00 0.00 H new ATOM 92 N VAL A 6 -20.872 -21.465 -0.370 1.00 0.00 N ATOM 93 CA VAL A 6 -20.609 -20.034 -0.230 1.00 0.00 C ATOM 94 C VAL A 6 -19.251 -19.668 -0.826 1.00 0.00 C ATOM 95 O VAL A 6 -18.245 -20.322 -0.546 1.00 0.00 O ATOM 96 CB VAL A 6 -20.650 -19.587 1.249 1.00 0.00 C ATOM 97 CG1 VAL A 6 -20.567 -18.070 1.354 1.00 0.00 C ATOM 98 CG2 VAL A 6 -21.905 -20.105 1.939 1.00 0.00 C ATOM 0 H VAL A 6 -20.710 -22.007 0.478 1.00 0.00 H new ATOM 0 HA VAL A 6 -21.397 -19.514 -0.774 1.00 0.00 H new ATOM 0 HB VAL A 6 -19.785 -20.014 1.756 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -20.597 -17.776 2.403 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -19.635 -17.725 0.907 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -21.409 -17.622 0.827 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -21.910 -19.777 2.978 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -22.787 -19.715 1.431 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -21.917 -21.194 1.902 1.00 0.00 H new ATOM 108 N SER A 7 -19.232 -18.617 -1.644 1.00 0.00 N ATOM 109 CA SER A 7 -17.998 -18.161 -2.279 1.00 0.00 C ATOM 110 C SER A 7 -17.171 -17.304 -1.324 1.00 0.00 C ATOM 111 O SER A 7 -17.688 -16.784 -0.333 1.00 0.00 O ATOM 112 CB SER A 7 -18.314 -17.368 -3.550 1.00 0.00 C ATOM 113 OG SER A 7 -17.245 -17.442 -4.479 1.00 0.00 O ATOM 0 H SER A 7 -20.057 -18.066 -1.882 1.00 0.00 H new ATOM 0 HA SER A 7 -17.413 -19.042 -2.543 1.00 0.00 H new ATOM 0 HB2 SER A 7 -19.224 -17.756 -4.007 1.00 0.00 H new ATOM 0 HB3 SER A 7 -18.505 -16.326 -3.294 1.00 0.00 H new ATOM 0 HG SER A 7 -17.473 -16.929 -5.282 1.00 0.00 H new ATOM 119 N GLY A 8 -15.882 -17.162 -1.632 1.00 0.00 N ATOM 120 CA GLY A 8 -14.997 -16.365 -0.800 1.00 0.00 C ATOM 121 C GLY A 8 -14.921 -14.916 -1.249 1.00 0.00 C ATOM 122 O GLY A 8 -15.456 -14.561 -2.302 1.00 0.00 O ATOM 0 H GLY A 8 -15.436 -17.586 -2.445 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -15.343 -16.404 0.233 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -13.998 -16.800 -0.818 1.00 0.00 H new ATOM 126 N PRO A 9 -14.253 -14.047 -0.465 1.00 0.00 N ATOM 127 CA PRO A 9 -14.112 -12.623 -0.801 1.00 0.00 C ATOM 128 C PRO A 9 -13.180 -12.399 -1.993 1.00 0.00 C ATOM 129 O PRO A 9 -12.337 -13.246 -2.296 1.00 0.00 O ATOM 130 CB PRO A 9 -13.509 -12.017 0.469 1.00 0.00 C ATOM 131 CG PRO A 9 -12.794 -13.145 1.128 1.00 0.00 C ATOM 132 CD PRO A 9 -13.586 -14.384 0.808 1.00 0.00 C ATOM 0 HA PRO A 9 -15.062 -12.176 -1.093 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -12.826 -11.201 0.232 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -14.283 -11.607 1.117 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.772 -13.229 0.757 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.731 -12.990 2.205 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -12.941 -15.257 0.705 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -14.308 -14.612 1.592 1.00 0.00 H new ATOM 140 N PRO A 10 -13.318 -11.247 -2.683 1.00 0.00 N ATOM 141 CA PRO A 10 -12.481 -10.911 -3.846 1.00 0.00 C ATOM 142 C PRO A 10 -10.989 -11.093 -3.561 1.00 0.00 C ATOM 143 O PRO A 10 -10.287 -11.766 -4.316 1.00 0.00 O ATOM 144 CB PRO A 10 -12.811 -9.439 -4.105 1.00 0.00 C ATOM 145 CG PRO A 10 -14.185 -9.256 -3.562 1.00 0.00 C ATOM 146 CD PRO A 10 -14.298 -10.185 -2.383 1.00 0.00 C ATOM 0 HA PRO A 10 -12.683 -11.560 -4.698 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -12.098 -8.781 -3.608 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -12.772 -9.206 -5.169 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -14.350 -8.222 -3.260 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -14.936 -9.491 -4.316 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -14.064 -9.676 -1.448 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -15.307 -10.586 -2.284 1.00 0.00 H new ATOM 154 N LEU A 11 -10.516 -10.502 -2.462 1.00 0.00 N ATOM 155 CA LEU A 11 -9.113 -10.613 -2.070 1.00 0.00 C ATOM 156 C LEU A 11 -8.988 -10.738 -0.554 1.00 0.00 C ATOM 157 O LEU A 11 -8.918 -11.852 -0.031 1.00 0.00 O ATOM 158 CB LEU A 11 -8.307 -9.416 -2.588 1.00 0.00 C ATOM 159 CG LEU A 11 -7.183 -9.770 -3.566 1.00 0.00 C ATOM 160 CD1 LEU A 11 -7.747 -10.071 -4.949 1.00 0.00 C ATOM 161 CD2 LEU A 11 -6.161 -8.644 -3.634 1.00 0.00 C ATOM 0 H LEU A 11 -11.086 -9.942 -1.828 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.702 -11.516 -2.521 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.990 -8.722 -3.078 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.875 -8.891 -1.736 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.681 -10.667 -3.202 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.932 -10.320 -5.628 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.436 -10.913 -4.885 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.277 -9.196 -5.324 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.370 -8.913 -4.334 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.649 -7.730 -3.972 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.732 -8.482 -2.645 1.00 0.00 H new ATOM 173 N SER A 12 -8.977 -9.599 0.148 1.00 0.00 N ATOM 174 CA SER A 12 -8.875 -9.583 1.613 1.00 0.00 C ATOM 175 C SER A 12 -7.560 -10.200 2.104 1.00 0.00 C ATOM 176 O SER A 12 -7.304 -11.387 1.896 1.00 0.00 O ATOM 177 CB SER A 12 -10.058 -10.331 2.242 1.00 0.00 C ATOM 178 OG SER A 12 -11.254 -10.114 1.517 1.00 0.00 O ATOM 0 H SER A 12 -9.038 -8.673 -0.276 1.00 0.00 H new ATOM 0 HA SER A 12 -8.895 -8.538 1.923 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.839 -11.398 2.274 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.191 -10.002 3.273 1.00 0.00 H new ATOM 0 HG SER A 12 -12.001 -10.006 2.142 1.00 0.00 H new ATOM 184 N ASN A 13 -6.738 -9.390 2.775 1.00 0.00 N ATOM 185 CA ASN A 13 -5.459 -9.865 3.307 1.00 0.00 C ATOM 186 C ASN A 13 -4.943 -8.946 4.416 1.00 0.00 C ATOM 187 O ASN A 13 -5.119 -9.232 5.602 1.00 0.00 O ATOM 188 CB ASN A 13 -4.416 -9.977 2.188 1.00 0.00 C ATOM 189 CG ASN A 13 -4.390 -11.350 1.542 1.00 0.00 C ATOM 190 OD1 ASN A 13 -4.388 -12.371 2.228 1.00 0.00 O ATOM 191 ND2 ASN A 13 -4.372 -11.380 0.213 1.00 0.00 N ATOM 0 H ASN A 13 -6.934 -8.407 2.962 1.00 0.00 H new ATOM 0 HA ASN A 13 -5.626 -10.854 3.734 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.626 -9.226 1.426 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -3.429 -9.753 2.594 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -4.356 -12.275 -0.277 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.374 -10.508 -0.317 1.00 0.00 H new ATOM 198 N MET A 14 -4.304 -7.843 4.021 1.00 0.00 N ATOM 199 CA MET A 14 -3.753 -6.877 4.971 1.00 0.00 C ATOM 200 C MET A 14 -3.139 -5.695 4.231 1.00 0.00 C ATOM 201 O MET A 14 -2.342 -5.877 3.310 1.00 0.00 O ATOM 202 CB MET A 14 -2.699 -7.533 5.875 1.00 0.00 C ATOM 203 CG MET A 14 -1.722 -8.435 5.135 1.00 0.00 C ATOM 204 SD MET A 14 -0.711 -9.426 6.250 1.00 0.00 S ATOM 205 CE MET A 14 -1.891 -10.671 6.763 1.00 0.00 C ATOM 0 H MET A 14 -4.155 -7.596 3.043 1.00 0.00 H new ATOM 0 HA MET A 14 -4.570 -6.519 5.598 1.00 0.00 H new ATOM 0 HB2 MET A 14 -2.138 -6.751 6.388 1.00 0.00 H new ATOM 0 HB3 MET A 14 -3.207 -8.117 6.642 1.00 0.00 H new ATOM 0 HG2 MET A 14 -2.277 -9.096 4.469 1.00 0.00 H new ATOM 0 HG3 MET A 14 -1.072 -7.824 4.508 1.00 0.00 H new ATOM 0 HE1 MET A 14 -1.367 -11.484 7.266 1.00 0.00 H new ATOM 0 HE2 MET A 14 -2.614 -10.227 7.448 1.00 0.00 H new ATOM 0 HE3 MET A 14 -2.412 -11.061 5.888 1.00 0.00 H new ATOM 215 N LYS A 15 -3.514 -4.489 4.636 1.00 0.00 N ATOM 216 CA LYS A 15 -3.000 -3.280 4.007 1.00 0.00 C ATOM 217 C LYS A 15 -2.853 -2.162 5.029 1.00 0.00 C ATOM 218 O LYS A 15 -3.618 -2.076 5.989 1.00 0.00 O ATOM 219 CB LYS A 15 -3.925 -2.832 2.876 1.00 0.00 C ATOM 220 CG LYS A 15 -3.272 -1.852 1.916 1.00 0.00 C ATOM 221 CD LYS A 15 -4.041 -1.759 0.609 1.00 0.00 C ATOM 222 CE LYS A 15 -3.861 -3.014 -0.230 1.00 0.00 C ATOM 223 NZ LYS A 15 -2.867 -2.821 -1.320 1.00 0.00 N ATOM 0 H LYS A 15 -4.172 -4.322 5.397 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.017 -3.506 3.593 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.257 -3.708 2.319 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.815 -2.371 3.305 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.219 -0.867 2.380 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.247 -2.165 1.715 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.100 -1.608 0.818 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.700 -0.891 0.045 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.540 -3.835 0.411 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.820 -3.302 -0.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.321 -2.997 -2.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.507 -1.846 -1.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.077 -3.486 -1.191 1.00 0.00 H new ATOM 237 N PHE A 16 -1.862 -1.314 4.824 1.00 0.00 N ATOM 238 CA PHE A 16 -1.613 -0.209 5.731 1.00 0.00 C ATOM 239 C PHE A 16 -0.821 0.880 5.032 1.00 0.00 C ATOM 240 O PHE A 16 0.304 0.649 4.621 1.00 0.00 O ATOM 241 CB PHE A 16 -0.856 -0.712 6.962 1.00 0.00 C ATOM 242 CG PHE A 16 -0.608 0.341 8.008 1.00 0.00 C ATOM 243 CD1 PHE A 16 -1.657 1.081 8.530 1.00 0.00 C ATOM 244 CD2 PHE A 16 0.676 0.584 8.474 1.00 0.00 C ATOM 245 CE1 PHE A 16 -1.433 2.042 9.493 1.00 0.00 C ATOM 246 CE2 PHE A 16 0.905 1.544 9.442 1.00 0.00 C ATOM 247 CZ PHE A 16 -0.151 2.274 9.951 1.00 0.00 C ATOM 0 H PHE A 16 -1.216 -1.369 4.037 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.567 0.211 6.049 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.420 -1.529 7.412 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.102 -1.123 6.643 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.662 0.903 8.178 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.505 0.017 8.076 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.260 2.613 9.889 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.908 1.723 9.800 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.026 3.025 10.706 1.00 0.00 H new ATOM 257 N TYR A 17 -1.396 2.066 4.894 1.00 0.00 N ATOM 258 CA TYR A 17 -0.686 3.156 4.239 1.00 0.00 C ATOM 259 C TYR A 17 -0.343 4.239 5.253 1.00 0.00 C ATOM 260 O TYR A 17 -1.137 5.148 5.506 1.00 0.00 O ATOM 261 CB TYR A 17 -1.516 3.722 3.082 1.00 0.00 C ATOM 262 CG TYR A 17 -1.411 2.898 1.815 1.00 0.00 C ATOM 263 CD1 TYR A 17 -1.640 1.527 1.835 1.00 0.00 C ATOM 264 CD2 TYR A 17 -1.074 3.485 0.602 1.00 0.00 C ATOM 265 CE1 TYR A 17 -1.535 0.766 0.688 1.00 0.00 C ATOM 266 CE2 TYR A 17 -0.969 2.730 -0.552 1.00 0.00 C ATOM 267 CZ TYR A 17 -1.199 1.371 -0.504 1.00 0.00 C ATOM 268 OH TYR A 17 -1.094 0.613 -1.649 1.00 0.00 O ATOM 0 H TYR A 17 -2.335 2.296 5.220 1.00 0.00 H new ATOM 0 HA TYR A 17 0.245 2.771 3.822 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.561 3.778 3.386 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.190 4.741 2.873 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.905 1.048 2.766 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.891 4.549 0.559 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.715 -0.298 0.724 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.708 3.203 -1.487 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.048 -0.336 -1.410 1.00 0.00 H new ATOM 278 N LEU A 18 0.850 4.132 5.838 1.00 0.00 N ATOM 279 CA LEU A 18 1.289 5.101 6.832 1.00 0.00 C ATOM 280 C LEU A 18 2.660 5.702 6.461 1.00 0.00 C ATOM 281 O LEU A 18 3.527 5.877 7.312 1.00 0.00 O ATOM 282 CB LEU A 18 1.290 4.452 8.222 1.00 0.00 C ATOM 283 CG LEU A 18 0.982 5.399 9.396 1.00 0.00 C ATOM 284 CD1 LEU A 18 -0.524 5.578 9.582 1.00 0.00 C ATOM 285 CD2 LEU A 18 1.615 4.887 10.683 1.00 0.00 C ATOM 0 H LEU A 18 1.522 3.390 5.641 1.00 0.00 H new ATOM 0 HA LEU A 18 0.587 5.935 6.853 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.558 3.645 8.227 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.266 3.998 8.391 1.00 0.00 H new ATOM 0 HG LEU A 18 1.413 6.371 9.158 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.710 6.252 10.418 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.955 5.999 8.674 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.983 4.611 9.787 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.384 5.572 11.499 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.218 3.899 10.915 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.696 4.824 10.557 1.00 0.00 H new ATOM 297 N ASN A 19 2.794 6.029 5.165 1.00 0.00 N ATOM 298 CA ASN A 19 3.985 6.649 4.544 1.00 0.00 C ATOM 299 C ASN A 19 5.183 6.902 5.485 1.00 0.00 C ATOM 300 O ASN A 19 5.075 7.661 6.451 1.00 0.00 O ATOM 301 CB ASN A 19 3.565 7.988 3.934 1.00 0.00 C ATOM 302 CG ASN A 19 2.685 7.840 2.704 1.00 0.00 C ATOM 303 OD1 ASN A 19 3.134 8.071 1.583 1.00 0.00 O ATOM 304 ND2 ASN A 19 1.422 7.472 2.904 1.00 0.00 N ATOM 0 H ASN A 19 2.047 5.863 4.490 1.00 0.00 H new ATOM 0 HA ASN A 19 4.339 5.926 3.809 1.00 0.00 H new ATOM 0 HB2 ASN A 19 3.032 8.570 4.686 1.00 0.00 H new ATOM 0 HB3 ASN A 19 4.458 8.554 3.667 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.788 7.373 2.111 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.088 7.289 3.850 1.00 0.00 H new ATOM 311 N ARG A 20 6.341 6.304 5.147 1.00 0.00 N ATOM 312 CA ARG A 20 7.577 6.489 5.923 1.00 0.00 C ATOM 313 C ARG A 20 8.430 7.647 5.379 1.00 0.00 C ATOM 314 O ARG A 20 8.518 8.702 6.005 1.00 0.00 O ATOM 315 CB ARG A 20 8.418 5.200 5.933 1.00 0.00 C ATOM 316 CG ARG A 20 9.462 5.174 7.042 1.00 0.00 C ATOM 317 CD ARG A 20 10.727 4.434 6.630 1.00 0.00 C ATOM 318 NE ARG A 20 11.841 4.721 7.539 1.00 0.00 N ATOM 319 CZ ARG A 20 12.547 5.859 7.528 1.00 0.00 C ATOM 320 NH1 ARG A 20 12.255 6.832 6.665 1.00 0.00 N ATOM 321 NH2 ARG A 20 13.544 6.029 8.388 1.00 0.00 N ATOM 0 H ARG A 20 6.444 5.688 4.340 1.00 0.00 H new ATOM 0 HA ARG A 20 7.273 6.734 6.941 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.755 4.342 6.046 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.917 5.092 4.970 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.717 6.196 7.322 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.037 4.698 7.926 1.00 0.00 H new ATOM 0 HD2 ARG A 20 10.534 3.361 6.618 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.002 4.720 5.615 1.00 0.00 H new ATOM 0 HE ARG A 20 12.094 4.008 8.223 1.00 0.00 H new ATOM 0 HH11 ARG A 20 11.487 6.714 6.004 1.00 0.00 H new ATOM 0 HH12 ARG A 20 12.799 7.695 6.666 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.772 5.293 9.057 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.082 6.895 8.380 1.00 0.00 H new ATOM 335 N ASP A 21 9.076 7.427 4.220 1.00 0.00 N ATOM 336 CA ASP A 21 9.949 8.440 3.597 1.00 0.00 C ATOM 337 C ASP A 21 10.636 7.888 2.343 1.00 0.00 C ATOM 338 O ASP A 21 10.861 8.622 1.378 1.00 0.00 O ATOM 339 CB ASP A 21 11.029 8.910 4.590 1.00 0.00 C ATOM 340 CG ASP A 21 11.211 10.420 4.609 1.00 0.00 C ATOM 341 OD1 ASP A 21 10.199 11.149 4.521 1.00 0.00 O ATOM 342 OD2 ASP A 21 12.371 10.872 4.716 1.00 0.00 O ATOM 0 H ASP A 21 9.010 6.555 3.694 1.00 0.00 H new ATOM 0 HA ASP A 21 9.316 9.282 3.315 1.00 0.00 H new ATOM 0 HB2 ASP A 21 10.765 8.570 5.591 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.978 8.440 4.334 1.00 0.00 H new ATOM 347 N ALA A 22 10.960 6.591 2.364 1.00 0.00 N ATOM 348 CA ALA A 22 11.615 5.931 1.233 1.00 0.00 C ATOM 349 C ALA A 22 10.582 5.558 0.179 1.00 0.00 C ATOM 350 O ALA A 22 10.704 5.931 -0.990 1.00 0.00 O ATOM 351 CB ALA A 22 12.374 4.699 1.709 1.00 0.00 C ATOM 0 H ALA A 22 10.778 5.976 3.157 1.00 0.00 H new ATOM 0 HA ALA A 22 12.332 6.619 0.785 1.00 0.00 H new ATOM 0 HB1 ALA A 22 12.856 4.218 0.858 1.00 0.00 H new ATOM 0 HB2 ALA A 22 13.131 4.996 2.435 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.679 4.001 2.175 1.00 0.00 H new ATOM 357 N ASP A 23 9.551 4.841 0.615 1.00 0.00 N ATOM 358 CA ASP A 23 8.461 4.430 -0.268 1.00 0.00 C ATOM 359 C ASP A 23 7.367 5.503 -0.311 1.00 0.00 C ATOM 360 O ASP A 23 6.516 5.496 -1.203 1.00 0.00 O ATOM 361 CB ASP A 23 7.859 3.100 0.200 1.00 0.00 C ATOM 362 CG ASP A 23 8.806 1.924 0.026 1.00 0.00 C ATOM 363 OD1 ASP A 23 9.499 1.861 -1.012 1.00 0.00 O ATOM 364 OD2 ASP A 23 8.848 1.063 0.928 1.00 0.00 O ATOM 0 H ASP A 23 9.446 4.530 1.581 1.00 0.00 H new ATOM 0 HA ASP A 23 8.871 4.301 -1.270 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.582 3.183 1.251 1.00 0.00 H new ATOM 0 HB3 ASP A 23 6.942 2.907 -0.357 1.00 0.00 H new ATOM 369 N ALA A 24 7.394 6.428 0.660 1.00 0.00 N ATOM 370 CA ALA A 24 6.407 7.500 0.730 1.00 0.00 C ATOM 371 C ALA A 24 6.816 8.701 -0.124 1.00 0.00 C ATOM 372 O ALA A 24 6.852 9.835 0.357 1.00 0.00 O ATOM 373 CB ALA A 24 6.193 7.922 2.177 1.00 0.00 C ATOM 0 H ALA A 24 8.091 6.450 1.404 1.00 0.00 H new ATOM 0 HA ALA A 24 5.469 7.117 0.328 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.454 8.723 2.217 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.836 7.070 2.756 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.135 8.276 2.596 1.00 0.00 H new ATOM 379 N HIS A 25 7.120 8.446 -1.397 1.00 0.00 N ATOM 380 CA HIS A 25 7.522 9.507 -2.318 1.00 0.00 C ATOM 381 C HIS A 25 6.843 9.357 -3.682 1.00 0.00 C ATOM 382 O HIS A 25 7.328 9.885 -4.686 1.00 0.00 O ATOM 383 CB HIS A 25 9.041 9.505 -2.489 1.00 0.00 C ATOM 384 CG HIS A 25 9.715 10.696 -1.878 1.00 0.00 C ATOM 385 ND1 HIS A 25 10.535 11.547 -2.590 1.00 0.00 N ATOM 386 CD2 HIS A 25 9.686 11.176 -0.612 1.00 0.00 C ATOM 387 CE1 HIS A 25 10.980 12.499 -1.787 1.00 0.00 C ATOM 388 NE2 HIS A 25 10.480 12.296 -0.582 1.00 0.00 N ATOM 0 H HIS A 25 7.095 7.515 -1.812 1.00 0.00 H new ATOM 0 HA HIS A 25 7.205 10.458 -1.889 1.00 0.00 H new ATOM 0 HB2 HIS A 25 9.448 8.598 -2.041 1.00 0.00 H new ATOM 0 HB3 HIS A 25 9.279 9.469 -3.552 1.00 0.00 H new ATOM 0 HD2 HIS A 25 9.140 10.756 0.220 1.00 0.00 H new ATOM 0 HE1 HIS A 25 11.640 13.306 -2.069 1.00 0.00 H new ATOM 0 HE2 HIS A 25 10.655 12.877 0.238 1.00 0.00 H new ATOM 397 N ASP A 26 5.719 8.643 -3.712 1.00 0.00 N ATOM 398 CA ASP A 26 4.973 8.432 -4.948 1.00 0.00 C ATOM 399 C ASP A 26 3.578 9.045 -4.851 1.00 0.00 C ATOM 400 O ASP A 26 3.113 9.704 -5.782 1.00 0.00 O ATOM 401 CB ASP A 26 4.867 6.935 -5.256 1.00 0.00 C ATOM 402 CG ASP A 26 4.810 6.652 -6.744 1.00 0.00 C ATOM 403 OD1 ASP A 26 3.820 7.056 -7.388 1.00 0.00 O ATOM 404 OD2 ASP A 26 5.758 6.028 -7.266 1.00 0.00 O ATOM 0 H ASP A 26 5.305 8.200 -2.891 1.00 0.00 H new ATOM 0 HA ASP A 26 5.511 8.924 -5.758 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.723 6.417 -4.823 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.975 6.531 -4.778 1.00 0.00 H new ATOM 409 N SER A 27 2.919 8.823 -3.712 1.00 0.00 N ATOM 410 CA SER A 27 1.575 9.352 -3.477 1.00 0.00 C ATOM 411 C SER A 27 1.260 9.400 -1.982 1.00 0.00 C ATOM 412 O SER A 27 1.851 8.663 -1.191 1.00 0.00 O ATOM 413 CB SER A 27 0.529 8.498 -4.198 1.00 0.00 C ATOM 414 OG SER A 27 0.252 9.006 -5.491 1.00 0.00 O ATOM 0 H SER A 27 3.296 8.279 -2.936 1.00 0.00 H new ATOM 0 HA SER A 27 1.542 10.367 -3.873 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.887 7.471 -4.277 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.389 8.471 -3.611 1.00 0.00 H new ATOM 0 HG SER A 27 1.081 9.333 -5.898 1.00 0.00 H new ATOM 420 N LEU A 28 0.326 10.275 -1.603 1.00 0.00 N ATOM 421 CA LEU A 28 -0.067 10.423 -0.203 1.00 0.00 C ATOM 422 C LEU A 28 -1.589 10.494 -0.064 1.00 0.00 C ATOM 423 O LEU A 28 -2.211 9.585 0.484 1.00 0.00 O ATOM 424 CB LEU A 28 0.576 11.673 0.406 1.00 0.00 C ATOM 425 CG LEU A 28 2.091 11.790 0.202 1.00 0.00 C ATOM 426 CD1 LEU A 28 2.450 13.142 -0.395 1.00 0.00 C ATOM 427 CD2 LEU A 28 2.823 11.576 1.518 1.00 0.00 C ATOM 0 H LEU A 28 -0.171 10.891 -2.247 1.00 0.00 H new ATOM 0 HA LEU A 28 0.286 9.545 0.338 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.098 12.554 -0.023 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.367 11.686 1.476 1.00 0.00 H new ATOM 0 HG LEU A 28 2.404 11.014 -0.497 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.530 13.204 -0.532 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.955 13.257 -1.359 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.123 13.935 0.277 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.897 11.662 1.355 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.504 12.329 2.239 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.593 10.583 1.905 1.00 0.00 H new ATOM 439 N ASN A 29 -2.182 11.576 -0.566 1.00 0.00 N ATOM 440 CA ASN A 29 -3.632 11.757 -0.506 1.00 0.00 C ATOM 441 C ASN A 29 -4.313 11.158 -1.740 1.00 0.00 C ATOM 442 O ASN A 29 -5.485 10.784 -1.688 1.00 0.00 O ATOM 443 CB ASN A 29 -3.983 13.244 -0.373 1.00 0.00 C ATOM 444 CG ASN A 29 -4.421 13.618 1.034 1.00 0.00 C ATOM 445 OD1 ASN A 29 -5.390 14.354 1.216 1.00 0.00 O ATOM 446 ND2 ASN A 29 -3.707 13.116 2.038 1.00 0.00 N ATOM 0 H ASN A 29 -1.681 12.341 -1.019 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.000 11.230 0.374 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.117 13.844 -0.651 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.780 13.490 -1.075 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -3.956 13.338 3.002 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.910 12.509 1.844 1.00 0.00 H new ATOM 453 N ASP A 30 -3.571 11.072 -2.851 1.00 0.00 N ATOM 454 CA ASP A 30 -4.105 10.521 -4.098 1.00 0.00 C ATOM 455 C ASP A 30 -4.224 8.992 -4.053 1.00 0.00 C ATOM 456 O ASP A 30 -4.815 8.388 -4.948 1.00 0.00 O ATOM 457 CB ASP A 30 -3.223 10.941 -5.277 1.00 0.00 C ATOM 458 CG ASP A 30 -4.030 11.493 -6.436 1.00 0.00 C ATOM 459 OD1 ASP A 30 -4.464 10.694 -7.291 1.00 0.00 O ATOM 460 OD2 ASP A 30 -4.226 12.726 -6.488 1.00 0.00 O ATOM 0 H ASP A 30 -2.600 11.377 -2.910 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.110 10.924 -4.227 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.510 11.695 -4.943 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.644 10.083 -5.618 1.00 0.00 H new ATOM 465 N ILE A 31 -3.666 8.370 -3.010 1.00 0.00 N ATOM 466 CA ILE A 31 -3.723 6.913 -2.862 1.00 0.00 C ATOM 467 C ILE A 31 -4.954 6.475 -2.074 1.00 0.00 C ATOM 468 O ILE A 31 -5.445 5.365 -2.265 1.00 0.00 O ATOM 469 CB ILE A 31 -2.462 6.335 -2.182 1.00 0.00 C ATOM 470 CG1 ILE A 31 -2.028 7.216 -1.009 1.00 0.00 C ATOM 471 CG2 ILE A 31 -1.336 6.187 -3.195 1.00 0.00 C ATOM 472 CD1 ILE A 31 -0.752 6.757 -0.331 1.00 0.00 C ATOM 0 H ILE A 31 -3.172 8.851 -2.258 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.780 6.518 -3.876 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.702 5.347 -1.789 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.890 8.237 -1.366 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.830 7.242 -0.271 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.454 5.779 -2.702 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.650 5.514 -3.992 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.096 7.163 -3.618 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.512 7.433 0.489 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.890 5.748 0.059 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.065 6.759 -1.053 1.00 0.00 H new ATOM 484 N ASP A 32 -5.461 7.348 -1.203 1.00 0.00 N ATOM 485 CA ASP A 32 -6.648 7.032 -0.414 1.00 0.00 C ATOM 486 C ASP A 32 -7.841 6.765 -1.333 1.00 0.00 C ATOM 487 O ASP A 32 -8.740 5.994 -0.992 1.00 0.00 O ATOM 488 CB ASP A 32 -6.970 8.173 0.555 1.00 0.00 C ATOM 489 CG ASP A 32 -8.126 7.842 1.483 1.00 0.00 C ATOM 490 OD1 ASP A 32 -7.975 6.929 2.321 1.00 0.00 O ATOM 491 OD2 ASP A 32 -9.184 8.495 1.366 1.00 0.00 O ATOM 0 H ASP A 32 -5.070 8.274 -1.028 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.445 6.132 0.167 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.085 8.400 1.150 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.211 9.071 -0.014 1.00 0.00 H new ATOM 496 N GLN A 33 -7.830 7.401 -2.507 1.00 0.00 N ATOM 497 CA GLN A 33 -8.897 7.230 -3.483 1.00 0.00 C ATOM 498 C GLN A 33 -8.700 5.947 -4.287 1.00 0.00 C ATOM 499 O GLN A 33 -9.657 5.205 -4.517 1.00 0.00 O ATOM 500 CB GLN A 33 -8.959 8.441 -4.419 1.00 0.00 C ATOM 501 CG GLN A 33 -10.214 8.488 -5.278 1.00 0.00 C ATOM 502 CD GLN A 33 -9.914 8.345 -6.757 1.00 0.00 C ATOM 503 OE1 GLN A 33 -9.245 9.192 -7.351 1.00 0.00 O ATOM 504 NE2 GLN A 33 -10.410 7.272 -7.364 1.00 0.00 N ATOM 0 H GLN A 33 -7.090 8.039 -2.801 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.842 7.152 -2.945 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.903 9.352 -3.824 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.085 8.431 -5.070 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.891 7.691 -4.970 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.733 9.431 -5.106 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.959 6.595 -6.835 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.242 7.126 -8.359 1.00 0.00 H new ATOM 513 N LEU A 34 -7.459 5.680 -4.699 1.00 0.00 N ATOM 514 CA LEU A 34 -7.162 4.466 -5.461 1.00 0.00 C ATOM 515 C LEU A 34 -7.161 3.239 -4.545 1.00 0.00 C ATOM 516 O LEU A 34 -7.360 2.112 -5.004 1.00 0.00 O ATOM 517 CB LEU A 34 -5.815 4.600 -6.179 1.00 0.00 C ATOM 518 CG LEU A 34 -4.576 4.524 -5.281 1.00 0.00 C ATOM 519 CD1 LEU A 34 -4.167 3.080 -5.045 1.00 0.00 C ATOM 520 CD2 LEU A 34 -3.427 5.309 -5.896 1.00 0.00 C ATOM 0 H LEU A 34 -6.653 6.279 -4.521 1.00 0.00 H new ATOM 0 HA LEU A 34 -7.942 4.333 -6.210 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.745 3.815 -6.932 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.799 5.552 -6.709 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.825 4.968 -4.317 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.285 3.052 -4.405 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.984 2.545 -4.561 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.938 2.606 -5.999 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.554 5.245 -5.246 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.183 4.892 -6.873 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.719 6.353 -6.010 1.00 0.00 H new ATOM 532 N ALA A 35 -6.949 3.474 -3.250 1.00 0.00 N ATOM 533 CA ALA A 35 -6.932 2.399 -2.261 1.00 0.00 C ATOM 534 C ALA A 35 -8.343 2.054 -1.795 1.00 0.00 C ATOM 535 O ALA A 35 -8.586 0.948 -1.320 1.00 0.00 O ATOM 536 CB ALA A 35 -6.061 2.779 -1.070 1.00 0.00 C ATOM 0 H ALA A 35 -6.786 4.403 -2.862 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.507 1.516 -2.738 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.061 1.965 -0.345 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.041 2.963 -1.409 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.456 3.681 -0.603 1.00 0.00 H new ATOM 542 N ARG A 36 -9.276 3.001 -1.949 1.00 0.00 N ATOM 543 CA ARG A 36 -10.667 2.782 -1.557 1.00 0.00 C ATOM 544 C ARG A 36 -11.243 1.555 -2.267 1.00 0.00 C ATOM 545 O ARG A 36 -12.086 0.847 -1.716 1.00 0.00 O ATOM 546 CB ARG A 36 -11.513 4.020 -1.877 1.00 0.00 C ATOM 547 CG ARG A 36 -12.248 4.587 -0.673 1.00 0.00 C ATOM 548 CD ARG A 36 -13.725 4.224 -0.703 1.00 0.00 C ATOM 549 NE ARG A 36 -14.034 3.087 0.164 1.00 0.00 N ATOM 550 CZ ARG A 36 -15.168 2.381 0.097 1.00 0.00 C ATOM 551 NH1 ARG A 36 -16.103 2.688 -0.798 1.00 0.00 N ATOM 552 NH2 ARG A 36 -15.364 1.362 0.927 1.00 0.00 N ATOM 0 H ARG A 36 -9.090 3.924 -2.342 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.694 2.604 -0.482 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.867 4.793 -2.294 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.240 3.763 -2.647 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.797 4.206 0.243 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.139 5.671 -0.655 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -14.315 5.086 -0.392 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -14.018 3.989 -1.726 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.342 2.816 0.863 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.958 3.467 -1.440 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.965 2.144 -0.842 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.650 1.119 1.614 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.228 0.823 0.877 1.00 0.00 H new ATOM 566 N LEU A 37 -10.765 1.308 -3.490 1.00 0.00 N ATOM 567 CA LEU A 37 -11.210 0.166 -4.283 1.00 0.00 C ATOM 568 C LEU A 37 -10.738 -1.148 -3.657 1.00 0.00 C ATOM 569 O LEU A 37 -11.540 -2.054 -3.420 1.00 0.00 O ATOM 570 CB LEU A 37 -10.677 0.283 -5.715 1.00 0.00 C ATOM 571 CG LEU A 37 -11.648 0.900 -6.727 1.00 0.00 C ATOM 572 CD1 LEU A 37 -12.966 0.139 -6.743 1.00 0.00 C ATOM 573 CD2 LEU A 37 -11.879 2.372 -6.415 1.00 0.00 C ATOM 0 H LEU A 37 -10.066 1.889 -3.952 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.300 0.166 -4.303 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.766 0.882 -5.698 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -10.398 -0.711 -6.064 1.00 0.00 H new ATOM 0 HG LEU A 37 -11.202 0.825 -7.719 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -13.640 0.594 -7.468 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -12.783 -0.899 -7.019 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -13.420 0.176 -5.753 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -12.571 2.794 -7.144 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -12.301 2.470 -5.415 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.931 2.907 -6.463 1.00 0.00 H new ATOM 585 N ILE A 38 -9.437 -1.236 -3.377 1.00 0.00 N ATOM 586 CA ILE A 38 -8.858 -2.431 -2.764 1.00 0.00 C ATOM 587 C ILE A 38 -9.247 -2.529 -1.284 1.00 0.00 C ATOM 588 O ILE A 38 -9.257 -3.619 -0.707 1.00 0.00 O ATOM 589 CB ILE A 38 -7.316 -2.450 -2.907 1.00 0.00 C ATOM 590 CG1 ILE A 38 -6.914 -2.481 -4.386 1.00 0.00 C ATOM 591 CG2 ILE A 38 -6.717 -3.645 -2.173 1.00 0.00 C ATOM 592 CD1 ILE A 38 -6.882 -1.118 -5.044 1.00 0.00 C ATOM 0 H ILE A 38 -8.764 -0.493 -3.565 1.00 0.00 H new ATOM 0 HA ILE A 38 -9.261 -3.295 -3.293 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.924 -1.538 -2.456 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.929 -2.939 -4.475 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -7.612 -3.119 -4.928 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.633 -3.637 -2.288 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.970 -3.586 -1.114 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.119 -4.568 -2.591 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -6.589 -1.225 -6.088 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -7.872 -0.664 -4.989 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -6.162 -0.482 -4.529 1.00 0.00 H new ATOM 604 N ARG A 39 -9.599 -1.387 -0.683 1.00 0.00 N ATOM 605 CA ARG A 39 -10.019 -1.337 0.714 1.00 0.00 C ATOM 606 C ARG A 39 -11.415 -1.932 0.863 1.00 0.00 C ATOM 607 O ARG A 39 -11.760 -2.477 1.911 1.00 0.00 O ATOM 608 CB ARG A 39 -10.019 0.110 1.216 1.00 0.00 C ATOM 609 CG ARG A 39 -10.133 0.239 2.728 1.00 0.00 C ATOM 610 CD ARG A 39 -11.530 0.672 3.147 1.00 0.00 C ATOM 611 NE ARG A 39 -11.541 1.260 4.488 1.00 0.00 N ATOM 612 CZ ARG A 39 -12.495 2.080 4.938 1.00 0.00 C ATOM 613 NH1 ARG A 39 -13.517 2.425 4.158 1.00 0.00 N ATOM 614 NH2 ARG A 39 -12.424 2.562 6.173 1.00 0.00 N ATOM 0 H ARG A 39 -9.600 -0.480 -1.150 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.316 -1.920 1.309 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -9.101 0.598 0.888 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.848 0.645 0.752 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.892 -0.716 3.195 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.403 0.964 3.088 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -11.916 1.397 2.430 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -12.199 -0.188 3.122 1.00 0.00 H new ATOM 0 HE ARG A 39 -10.773 1.029 5.118 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -13.577 2.063 3.206 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -14.240 3.052 4.512 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -11.642 2.306 6.776 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -13.151 3.188 6.519 1.00 0.00 H new ATOM 628 N ALA A 40 -12.209 -1.831 -0.207 1.00 0.00 N ATOM 629 CA ALA A 40 -13.561 -2.368 -0.215 1.00 0.00 C ATOM 630 C ALA A 40 -13.585 -3.784 -0.798 1.00 0.00 C ATOM 631 O ALA A 40 -14.603 -4.472 -0.733 1.00 0.00 O ATOM 632 CB ALA A 40 -14.489 -1.450 -0.998 1.00 0.00 C ATOM 0 H ALA A 40 -11.932 -1.380 -1.079 1.00 0.00 H new ATOM 0 HA ALA A 40 -13.913 -2.423 0.815 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -15.497 -1.864 -0.996 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -14.501 -0.463 -0.535 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -14.134 -1.364 -2.025 1.00 0.00 H new ATOM 638 N ASN A 41 -12.450 -4.206 -1.367 1.00 0.00 N ATOM 639 CA ASN A 41 -12.316 -5.532 -1.962 1.00 0.00 C ATOM 640 C ASN A 41 -12.443 -6.640 -0.912 1.00 0.00 C ATOM 641 O ASN A 41 -12.757 -7.782 -1.248 1.00 0.00 O ATOM 642 CB ASN A 41 -10.960 -5.647 -2.664 1.00 0.00 C ATOM 643 CG ASN A 41 -11.021 -6.469 -3.939 1.00 0.00 C ATOM 644 OD1 ASN A 41 -12.078 -6.604 -4.556 1.00 0.00 O ATOM 645 ND2 ASN A 41 -9.883 -7.020 -4.347 1.00 0.00 N ATOM 0 H ASN A 41 -11.605 -3.638 -1.426 1.00 0.00 H new ATOM 0 HA ASN A 41 -13.124 -5.657 -2.683 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -10.593 -4.648 -2.899 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -10.240 -6.098 -1.981 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -9.864 -7.579 -5.200 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -9.028 -6.884 -3.807 1.00 0.00 H new ATOM 652 N GLY A 42 -12.191 -6.300 0.353 1.00 0.00 N ATOM 653 CA GLY A 42 -12.277 -7.282 1.421 1.00 0.00 C ATOM 654 C GLY A 42 -11.202 -7.097 2.480 1.00 0.00 C ATOM 655 O GLY A 42 -11.394 -7.486 3.633 1.00 0.00 O ATOM 0 H GLY A 42 -11.929 -5.362 0.655 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -13.258 -7.216 1.891 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.194 -8.282 0.996 1.00 0.00 H new ATOM 659 N GLY A 43 -10.071 -6.505 2.092 1.00 0.00 N ATOM 660 CA GLY A 43 -8.986 -6.281 3.030 1.00 0.00 C ATOM 661 C GLY A 43 -9.238 -5.091 3.937 1.00 0.00 C ATOM 662 O GLY A 43 -10.371 -4.854 4.361 1.00 0.00 O ATOM 0 H GLY A 43 -9.890 -6.177 1.143 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.846 -7.174 3.639 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.060 -6.123 2.478 1.00 0.00 H new ATOM 666 N GLU A 44 -8.180 -4.343 4.237 1.00 0.00 N ATOM 667 CA GLU A 44 -8.286 -3.172 5.103 1.00 0.00 C ATOM 668 C GLU A 44 -7.056 -2.288 4.967 1.00 0.00 C ATOM 669 O GLU A 44 -5.934 -2.748 5.169 1.00 0.00 O ATOM 670 CB GLU A 44 -8.456 -3.606 6.562 1.00 0.00 C ATOM 671 CG GLU A 44 -8.884 -2.480 7.494 1.00 0.00 C ATOM 672 CD GLU A 44 -10.301 -2.643 8.016 1.00 0.00 C ATOM 673 OE1 GLU A 44 -10.686 -3.782 8.361 1.00 0.00 O ATOM 674 OE2 GLU A 44 -11.027 -1.630 8.082 1.00 0.00 O ATOM 0 H GLU A 44 -7.238 -4.527 3.893 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.161 -2.599 4.796 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.196 -4.405 6.609 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.514 -4.022 6.919 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.196 -2.434 8.338 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.805 -1.530 6.966 1.00 0.00 H new ATOM 681 N VAL A 45 -7.271 -1.016 4.627 1.00 0.00 N ATOM 682 CA VAL A 45 -6.172 -0.063 4.471 1.00 0.00 C ATOM 683 C VAL A 45 -6.507 1.277 5.125 1.00 0.00 C ATOM 684 O VAL A 45 -7.666 1.695 5.152 1.00 0.00 O ATOM 685 CB VAL A 45 -5.819 0.167 2.982 1.00 0.00 C ATOM 686 CG1 VAL A 45 -7.018 0.692 2.212 1.00 0.00 C ATOM 687 CG2 VAL A 45 -4.636 1.116 2.846 1.00 0.00 C ATOM 0 H VAL A 45 -8.196 -0.622 4.455 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.306 -0.499 4.970 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.537 -0.795 2.553 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.742 0.845 1.169 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.832 -0.030 2.270 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.342 1.639 2.644 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.406 1.262 1.791 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.885 2.075 3.300 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.768 0.691 3.350 1.00 0.00 H new ATOM 697 N LEU A 46 -5.478 1.944 5.648 1.00 0.00 N ATOM 698 CA LEU A 46 -5.646 3.238 6.302 1.00 0.00 C ATOM 699 C LEU A 46 -4.608 4.226 5.778 1.00 0.00 C ATOM 700 O LEU A 46 -3.456 4.206 6.208 1.00 0.00 O ATOM 701 CB LEU A 46 -5.515 3.092 7.823 1.00 0.00 C ATOM 702 CG LEU A 46 -6.100 1.804 8.409 1.00 0.00 C ATOM 703 CD1 LEU A 46 -5.494 1.512 9.775 1.00 0.00 C ATOM 704 CD2 LEU A 46 -7.617 1.903 8.503 1.00 0.00 C ATOM 0 H LEU A 46 -4.516 1.606 5.630 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.643 3.616 6.075 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.459 3.145 8.087 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.005 3.943 8.297 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.850 0.978 7.743 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.923 0.593 10.174 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.415 1.396 9.677 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.710 2.338 10.453 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.017 0.979 8.921 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.888 2.740 9.147 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.034 2.061 7.508 1.00 0.00 H new ATOM 716 N ASP A 47 -5.024 5.080 4.843 1.00 0.00 N ATOM 717 CA ASP A 47 -4.125 6.069 4.251 1.00 0.00 C ATOM 718 C ASP A 47 -3.906 7.250 5.195 1.00 0.00 C ATOM 719 O ASP A 47 -4.850 7.956 5.550 1.00 0.00 O ATOM 720 CB ASP A 47 -4.680 6.562 2.911 1.00 0.00 C ATOM 721 CG ASP A 47 -4.701 5.470 1.858 1.00 0.00 C ATOM 722 OD1 ASP A 47 -5.636 4.642 1.875 1.00 0.00 O ATOM 723 OD2 ASP A 47 -3.778 5.441 1.015 1.00 0.00 O ATOM 0 H ASP A 47 -5.977 5.107 4.480 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.163 5.586 4.080 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.691 6.942 3.057 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.075 7.395 2.554 1.00 0.00 H new ATOM 728 N SER A 48 -2.652 7.453 5.599 1.00 0.00 N ATOM 729 CA SER A 48 -2.301 8.542 6.502 1.00 0.00 C ATOM 730 C SER A 48 -1.036 9.257 6.031 1.00 0.00 C ATOM 731 O SER A 48 0.006 8.628 5.832 1.00 0.00 O ATOM 732 CB SER A 48 -2.102 8.006 7.922 1.00 0.00 C ATOM 733 OG SER A 48 -2.598 8.917 8.888 1.00 0.00 O ATOM 0 H SER A 48 -1.862 6.874 5.313 1.00 0.00 H new ATOM 0 HA SER A 48 -3.120 9.261 6.502 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.611 7.048 8.027 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.042 7.825 8.100 1.00 0.00 H new ATOM 0 HG SER A 48 -2.460 8.549 9.786 1.00 0.00 H new ATOM 739 N LYS A 49 -1.135 10.577 5.858 1.00 0.00 N ATOM 740 CA LYS A 49 -0.001 11.385 5.414 1.00 0.00 C ATOM 741 C LYS A 49 1.131 11.352 6.444 1.00 0.00 C ATOM 742 O LYS A 49 0.882 11.392 7.651 1.00 0.00 O ATOM 743 CB LYS A 49 -0.442 12.834 5.168 1.00 0.00 C ATOM 744 CG LYS A 49 -0.078 13.360 3.786 1.00 0.00 C ATOM 745 CD LYS A 49 -0.765 14.685 3.492 1.00 0.00 C ATOM 746 CE LYS A 49 0.002 15.859 4.086 1.00 0.00 C ATOM 747 NZ LYS A 49 -0.901 16.972 4.497 1.00 0.00 N ATOM 0 H LYS A 49 -1.991 11.108 6.019 1.00 0.00 H new ATOM 0 HA LYS A 49 0.369 10.962 4.480 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.522 12.903 5.300 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.013 13.476 5.922 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.002 13.487 3.717 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.362 12.627 3.031 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.855 14.817 2.414 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.777 14.669 3.897 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.572 15.518 4.950 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.721 16.228 3.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.336 17.749 4.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.427 17.316 3.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.571 16.628 5.214 1.00 0.00 H new ATOM 761 N PRO A 50 2.394 11.278 5.979 1.00 0.00 N ATOM 762 CA PRO A 50 3.567 11.238 6.861 1.00 0.00 C ATOM 763 C PRO A 50 3.749 12.535 7.650 1.00 0.00 C ATOM 764 O PRO A 50 3.294 13.600 7.227 1.00 0.00 O ATOM 765 CB PRO A 50 4.739 11.028 5.897 1.00 0.00 C ATOM 766 CG PRO A 50 4.246 11.520 4.580 1.00 0.00 C ATOM 767 CD PRO A 50 2.773 11.227 4.556 1.00 0.00 C ATOM 0 HA PRO A 50 3.477 10.457 7.616 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.621 11.581 6.221 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.024 9.977 5.845 1.00 0.00 H new ATOM 0 HG2 PRO A 50 4.434 12.588 4.467 1.00 0.00 H new ATOM 0 HG3 PRO A 50 4.758 11.018 3.759 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.226 11.963 3.967 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.564 10.251 4.119 1.00 0.00 H new ATOM 775 N ARG A 51 4.416 12.434 8.800 1.00 0.00 N ATOM 776 CA ARG A 51 4.658 13.597 9.654 1.00 0.00 C ATOM 777 C ARG A 51 5.870 13.373 10.556 1.00 0.00 C ATOM 778 O ARG A 51 6.900 14.026 10.394 1.00 0.00 O ATOM 779 CB ARG A 51 3.422 13.894 10.507 1.00 0.00 C ATOM 780 CG ARG A 51 3.386 15.309 11.068 1.00 0.00 C ATOM 781 CD ARG A 51 2.649 16.260 10.137 1.00 0.00 C ATOM 782 NE ARG A 51 3.517 16.778 9.077 1.00 0.00 N ATOM 783 CZ ARG A 51 3.071 17.345 7.954 1.00 0.00 C ATOM 784 NH1 ARG A 51 1.766 17.470 7.732 1.00 0.00 N ATOM 785 NH2 ARG A 51 3.935 17.787 7.046 1.00 0.00 N ATOM 0 H ARG A 51 4.798 11.560 9.161 1.00 0.00 H new ATOM 0 HA ARG A 51 4.863 14.452 9.009 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.529 13.730 9.905 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.384 13.185 11.334 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.899 15.303 12.043 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.404 15.666 11.223 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.800 15.743 9.689 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.247 17.092 10.714 1.00 0.00 H new ATOM 0 HE ARG A 51 4.526 16.701 9.205 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.096 17.131 8.423 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.435 17.905 6.871 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.938 17.693 7.208 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.595 18.220 6.187 1.00 0.00 H new ATOM 799 N GLU A 52 5.735 12.449 11.506 1.00 0.00 N ATOM 800 CA GLU A 52 6.819 12.141 12.430 1.00 0.00 C ATOM 801 C GLU A 52 7.715 11.049 11.864 1.00 0.00 C ATOM 802 O GLU A 52 7.246 9.956 11.537 1.00 0.00 O ATOM 803 CB GLU A 52 6.261 11.703 13.785 1.00 0.00 C ATOM 804 CG GLU A 52 5.987 12.857 14.740 1.00 0.00 C ATOM 805 CD GLU A 52 4.538 13.306 14.725 1.00 0.00 C ATOM 806 OE1 GLU A 52 3.642 12.434 14.753 1.00 0.00 O ATOM 807 OE2 GLU A 52 4.297 14.531 14.690 1.00 0.00 O ATOM 0 H GLU A 52 4.886 11.903 11.654 1.00 0.00 H new ATOM 0 HA GLU A 52 7.412 13.045 12.567 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.336 11.149 13.624 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.966 11.016 14.253 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.258 12.556 15.752 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.626 13.700 14.476 1.00 0.00 H new ATOM 814 N SER A 53 9.003 11.351 11.745 1.00 0.00 N ATOM 815 CA SER A 53 9.963 10.391 11.214 1.00 0.00 C ATOM 816 C SER A 53 10.678 9.658 12.349 1.00 0.00 C ATOM 817 O SER A 53 11.646 10.163 12.923 1.00 0.00 O ATOM 818 CB SER A 53 10.969 11.103 10.302 1.00 0.00 C ATOM 819 OG SER A 53 11.740 12.051 11.026 1.00 0.00 O ATOM 0 H SER A 53 9.406 12.250 12.008 1.00 0.00 H new ATOM 0 HA SER A 53 9.426 9.649 10.623 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.630 10.368 9.842 1.00 0.00 H new ATOM 0 HB3 SER A 53 10.438 11.604 9.493 1.00 0.00 H new ATOM 0 HG SER A 53 11.908 11.714 11.931 1.00 0.00 H new ATOM 825 N LYS A 54 10.181 8.467 12.676 1.00 0.00 N ATOM 826 CA LYS A 54 10.750 7.654 13.748 1.00 0.00 C ATOM 827 C LYS A 54 10.755 6.165 13.384 1.00 0.00 C ATOM 828 O LYS A 54 10.761 5.304 14.267 1.00 0.00 O ATOM 829 CB LYS A 54 9.946 7.873 15.032 1.00 0.00 C ATOM 830 CG LYS A 54 8.515 7.352 14.955 1.00 0.00 C ATOM 831 CD LYS A 54 7.505 8.488 14.875 1.00 0.00 C ATOM 832 CE LYS A 54 6.731 8.635 16.177 1.00 0.00 C ATOM 833 NZ LYS A 54 6.576 10.060 16.583 1.00 0.00 N ATOM 0 H LYS A 54 9.380 8.041 12.210 1.00 0.00 H new ATOM 0 HA LYS A 54 11.785 7.962 13.898 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.458 7.382 15.859 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.924 8.939 15.259 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.409 6.709 14.082 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.304 6.738 15.831 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.022 9.421 14.650 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.810 8.302 14.056 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.746 8.182 16.065 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.245 8.088 16.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.444 10.115 17.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.428 10.592 16.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.747 10.469 16.106 1.00 0.00 H new ATOM 847 N GLU A 55 10.733 5.870 12.083 1.00 0.00 N ATOM 848 CA GLU A 55 10.712 4.491 11.593 1.00 0.00 C ATOM 849 C GLU A 55 9.448 3.746 12.051 1.00 0.00 C ATOM 850 O GLU A 55 9.403 2.515 12.035 1.00 0.00 O ATOM 851 CB GLU A 55 11.966 3.731 12.039 1.00 0.00 C ATOM 852 CG GLU A 55 12.391 2.646 11.057 1.00 0.00 C ATOM 853 CD GLU A 55 13.798 2.844 10.523 1.00 0.00 C ATOM 854 OE1 GLU A 55 14.101 3.960 10.048 1.00 0.00 O ATOM 855 OE2 GLU A 55 14.592 1.885 10.576 1.00 0.00 O ATOM 0 H GLU A 55 10.729 6.574 11.345 1.00 0.00 H new ATOM 0 HA GLU A 55 10.700 4.536 10.504 1.00 0.00 H new ATOM 0 HB2 GLU A 55 12.786 4.438 12.166 1.00 0.00 H new ATOM 0 HB3 GLU A 55 11.781 3.278 13.013 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.329 1.675 11.548 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.691 2.626 10.222 1.00 0.00 H new ATOM 862 N ASN A 56 8.421 4.502 12.442 1.00 0.00 N ATOM 863 CA ASN A 56 7.153 3.920 12.887 1.00 0.00 C ATOM 864 C ASN A 56 6.110 4.017 11.774 1.00 0.00 C ATOM 865 O ASN A 56 5.337 3.086 11.549 1.00 0.00 O ATOM 866 CB ASN A 56 6.647 4.632 14.154 1.00 0.00 C ATOM 867 CG ASN A 56 7.273 4.096 15.439 1.00 0.00 C ATOM 868 OD1 ASN A 56 6.571 3.588 16.313 1.00 0.00 O ATOM 869 ND2 ASN A 56 8.592 4.211 15.566 1.00 0.00 N ATOM 0 H ASN A 56 8.442 5.522 12.460 1.00 0.00 H new ATOM 0 HA ASN A 56 7.318 2.869 13.125 1.00 0.00 H new ATOM 0 HB2 ASN A 56 6.859 5.698 14.072 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.564 4.526 14.214 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.055 3.872 16.410 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.141 4.638 14.820 1.00 0.00 H new ATOM 876 N VAL A 57 6.105 5.149 11.068 1.00 0.00 N ATOM 877 CA VAL A 57 5.171 5.365 9.967 1.00 0.00 C ATOM 878 C VAL A 57 5.643 4.629 8.712 1.00 0.00 C ATOM 879 O VAL A 57 6.699 4.942 8.166 1.00 0.00 O ATOM 880 CB VAL A 57 4.994 6.872 9.655 1.00 0.00 C ATOM 881 CG1 VAL A 57 4.221 7.569 10.767 1.00 0.00 C ATOM 882 CG2 VAL A 57 6.337 7.550 9.408 1.00 0.00 C ATOM 0 H VAL A 57 6.739 5.929 11.241 1.00 0.00 H new ATOM 0 HA VAL A 57 4.205 4.967 10.277 1.00 0.00 H new ATOM 0 HB VAL A 57 4.412 6.956 8.737 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.109 8.626 10.525 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.236 7.113 10.866 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.764 7.467 11.707 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.177 8.606 9.192 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.963 7.452 10.295 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.833 7.077 8.560 1.00 0.00 H new ATOM 892 N PHE A 58 4.866 3.640 8.265 1.00 0.00 N ATOM 893 CA PHE A 58 5.220 2.860 7.077 1.00 0.00 C ATOM 894 C PHE A 58 3.982 2.301 6.371 1.00 0.00 C ATOM 895 O PHE A 58 2.865 2.379 6.883 1.00 0.00 O ATOM 896 CB PHE A 58 6.163 1.703 7.445 1.00 0.00 C ATOM 897 CG PHE A 58 5.884 1.075 8.783 1.00 0.00 C ATOM 898 CD1 PHE A 58 4.619 0.607 9.093 1.00 0.00 C ATOM 899 CD2 PHE A 58 6.891 0.953 9.728 1.00 0.00 C ATOM 900 CE1 PHE A 58 4.363 0.028 10.319 1.00 0.00 C ATOM 901 CE2 PHE A 58 6.641 0.377 10.956 1.00 0.00 C ATOM 902 CZ PHE A 58 5.374 -0.086 11.254 1.00 0.00 C ATOM 0 H PHE A 58 3.990 3.361 8.706 1.00 0.00 H new ATOM 0 HA PHE A 58 5.728 3.540 6.393 1.00 0.00 H new ATOM 0 HB2 PHE A 58 6.093 0.935 6.675 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.189 2.070 7.437 1.00 0.00 H new ATOM 0 HD1 PHE A 58 3.824 0.696 8.368 1.00 0.00 H new ATOM 0 HD2 PHE A 58 7.883 1.313 9.500 1.00 0.00 H new ATOM 0 HE1 PHE A 58 3.372 -0.336 10.548 1.00 0.00 H new ATOM 0 HE2 PHE A 58 7.434 0.288 11.683 1.00 0.00 H new ATOM 0 HZ PHE A 58 5.174 -0.536 12.215 1.00 0.00 H new ATOM 912 N ILE A 59 4.201 1.741 5.185 1.00 0.00 N ATOM 913 CA ILE A 59 3.135 1.159 4.384 1.00 0.00 C ATOM 914 C ILE A 59 3.358 -0.347 4.169 1.00 0.00 C ATOM 915 O ILE A 59 4.446 -0.771 3.777 1.00 0.00 O ATOM 916 CB ILE A 59 3.032 1.872 3.016 1.00 0.00 C ATOM 917 CG1 ILE A 59 1.940 1.229 2.150 1.00 0.00 C ATOM 918 CG2 ILE A 59 4.376 1.860 2.297 1.00 0.00 C ATOM 919 CD1 ILE A 59 1.894 1.751 0.730 1.00 0.00 C ATOM 0 H ILE A 59 5.124 1.679 4.754 1.00 0.00 H new ATOM 0 HA ILE A 59 2.201 1.295 4.930 1.00 0.00 H new ATOM 0 HB ILE A 59 2.755 2.911 3.193 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.098 0.151 2.125 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.971 1.398 2.620 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.280 2.367 1.337 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.119 2.375 2.906 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.692 0.830 2.133 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.097 1.248 0.183 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.704 2.824 0.743 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.848 1.558 0.240 1.00 0.00 H new ATOM 931 N VAL A 60 2.317 -1.146 4.424 1.00 0.00 N ATOM 932 CA VAL A 60 2.387 -2.599 4.255 1.00 0.00 C ATOM 933 C VAL A 60 1.631 -3.042 2.998 1.00 0.00 C ATOM 934 O VAL A 60 0.687 -2.376 2.562 1.00 0.00 O ATOM 935 CB VAL A 60 1.827 -3.351 5.495 1.00 0.00 C ATOM 936 CG1 VAL A 60 2.246 -2.659 6.787 1.00 0.00 C ATOM 937 CG2 VAL A 60 0.307 -3.486 5.430 1.00 0.00 C ATOM 0 H VAL A 60 1.412 -0.808 4.750 1.00 0.00 H new ATOM 0 HA VAL A 60 3.441 -2.855 4.147 1.00 0.00 H new ATOM 0 HB VAL A 60 2.252 -4.355 5.486 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.842 -3.205 7.640 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.334 -2.638 6.852 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.863 -1.639 6.794 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.049 -4.017 6.313 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.145 -2.495 5.395 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.029 -4.043 4.535 1.00 0.00 H new ATOM 947 N SER A 61 2.053 -4.164 2.418 1.00 0.00 N ATOM 948 CA SER A 61 1.425 -4.700 1.209 1.00 0.00 C ATOM 949 C SER A 61 0.517 -5.889 1.529 1.00 0.00 C ATOM 950 O SER A 61 0.626 -6.495 2.596 1.00 0.00 O ATOM 951 CB SER A 61 2.493 -5.114 0.191 1.00 0.00 C ATOM 952 OG SER A 61 3.289 -6.175 0.687 1.00 0.00 O ATOM 0 H SER A 61 2.831 -4.723 2.767 1.00 0.00 H new ATOM 0 HA SER A 61 0.808 -3.911 0.779 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.014 -5.419 -0.739 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.127 -4.259 -0.043 1.00 0.00 H new ATOM 0 HG SER A 61 3.961 -6.420 0.017 1.00 0.00 H new ATOM 958 N PRO A 62 -0.395 -6.237 0.597 1.00 0.00 N ATOM 959 CA PRO A 62 -1.330 -7.358 0.769 1.00 0.00 C ATOM 960 C PRO A 62 -0.622 -8.706 0.876 1.00 0.00 C ATOM 961 O PRO A 62 0.160 -9.076 0.000 1.00 0.00 O ATOM 962 CB PRO A 62 -2.198 -7.316 -0.497 1.00 0.00 C ATOM 963 CG PRO A 62 -1.978 -5.963 -1.081 1.00 0.00 C ATOM 964 CD PRO A 62 -0.582 -5.570 -0.701 1.00 0.00 C ATOM 0 HA PRO A 62 -1.898 -7.259 1.694 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -1.909 -8.099 -1.198 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -3.250 -7.475 -0.258 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -2.097 -5.982 -2.164 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -2.704 -5.248 -0.693 1.00 0.00 H new ATOM 0 HD2 PRO A 62 0.147 -5.907 -1.437 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -0.475 -4.488 -0.619 1.00 0.00 H new ATOM 972 N TYR A 63 -0.902 -9.427 1.969 1.00 0.00 N ATOM 973 CA TYR A 63 -0.304 -10.743 2.227 1.00 0.00 C ATOM 974 C TYR A 63 1.093 -10.618 2.844 1.00 0.00 C ATOM 975 O TYR A 63 1.709 -11.627 3.196 1.00 0.00 O ATOM 976 CB TYR A 63 -0.239 -11.581 0.944 1.00 0.00 C ATOM 977 CG TYR A 63 -0.766 -12.989 1.107 1.00 0.00 C ATOM 978 CD1 TYR A 63 -0.182 -13.876 2.005 1.00 0.00 C ATOM 979 CD2 TYR A 63 -1.848 -13.433 0.358 1.00 0.00 C ATOM 980 CE1 TYR A 63 -0.664 -15.161 2.153 1.00 0.00 C ATOM 981 CE2 TYR A 63 -2.334 -14.717 0.502 1.00 0.00 C ATOM 982 CZ TYR A 63 -1.740 -15.577 1.398 1.00 0.00 C ATOM 983 OH TYR A 63 -2.222 -16.859 1.539 1.00 0.00 O ATOM 0 H TYR A 63 -1.546 -9.116 2.696 1.00 0.00 H new ATOM 0 HA TYR A 63 -0.948 -11.251 2.945 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -0.809 -11.078 0.163 1.00 0.00 H new ATOM 0 HB3 TYR A 63 0.795 -11.627 0.604 1.00 0.00 H new ATOM 0 HD1 TYR A 63 0.663 -13.554 2.596 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -2.316 -12.763 -0.348 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -0.201 -15.837 2.856 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -3.178 -15.046 -0.087 1.00 0.00 H new ATOM 0 HH TYR A 63 -2.983 -16.991 0.936 1.00 0.00 H new ATOM 993 N ASN A 64 1.590 -9.386 2.984 1.00 0.00 N ATOM 994 CA ASN A 64 2.903 -9.157 3.565 1.00 0.00 C ATOM 995 C ASN A 64 2.824 -9.199 5.091 1.00 0.00 C ATOM 996 O ASN A 64 2.244 -8.311 5.720 1.00 0.00 O ATOM 997 CB ASN A 64 3.470 -7.815 3.086 1.00 0.00 C ATOM 998 CG ASN A 64 4.612 -7.304 3.944 1.00 0.00 C ATOM 999 OD1 ASN A 64 4.273 -6.622 5.033 1.00 0.00 O flip ATOM 1000 ND2 ASN A 64 5.782 -7.519 3.633 1.00 0.00 N flip ATOM 0 H ASN A 64 1.099 -8.538 2.702 1.00 0.00 H new ATOM 0 HA ASN A 64 3.575 -9.950 3.236 1.00 0.00 H new ATOM 0 HB2 ASN A 64 3.817 -7.921 2.058 1.00 0.00 H new ATOM 0 HB3 ASN A 64 2.671 -7.073 3.078 1.00 0.00 H new ATOM 0 HD21 ASN A 64 5.996 -8.048 2.787 1.00 0.00 H new ATOM 0 HD22 ASN A 64 6.539 -7.169 4.221 1.00 0.00 H new ATOM 1007 N HIS A 65 3.415 -10.237 5.673 1.00 0.00 N ATOM 1008 CA HIS A 65 3.425 -10.404 7.127 1.00 0.00 C ATOM 1009 C HIS A 65 4.503 -9.525 7.759 1.00 0.00 C ATOM 1010 O HIS A 65 5.381 -9.014 7.061 1.00 0.00 O ATOM 1011 CB HIS A 65 3.664 -11.874 7.501 1.00 0.00 C ATOM 1012 CG HIS A 65 4.833 -12.492 6.797 1.00 0.00 C ATOM 1013 ND1 HIS A 65 4.715 -13.206 5.622 1.00 0.00 N ATOM 1014 CD2 HIS A 65 6.153 -12.491 7.101 1.00 0.00 C ATOM 1015 CE1 HIS A 65 5.909 -13.616 5.236 1.00 0.00 C ATOM 1016 NE2 HIS A 65 6.800 -13.196 6.114 1.00 0.00 N ATOM 0 H HIS A 65 3.895 -10.978 5.162 1.00 0.00 H new ATOM 0 HA HIS A 65 2.451 -10.099 7.510 1.00 0.00 H new ATOM 0 HB2 HIS A 65 3.820 -11.945 8.577 1.00 0.00 H new ATOM 0 HB3 HIS A 65 2.767 -12.449 7.271 1.00 0.00 H new ATOM 0 HD2 HIS A 65 6.612 -12.023 7.959 1.00 0.00 H new ATOM 0 HE1 HIS A 65 6.121 -14.197 4.351 1.00 0.00 H new ATOM 0 HE2 HIS A 65 7.805 -13.367 6.068 1.00 0.00 H new ATOM 1025 N THR A 66 4.425 -9.353 9.081 1.00 0.00 N ATOM 1026 CA THR A 66 5.388 -8.532 9.820 1.00 0.00 C ATOM 1027 C THR A 66 5.204 -7.053 9.488 1.00 0.00 C ATOM 1028 O THR A 66 5.438 -6.626 8.357 1.00 0.00 O ATOM 1029 CB THR A 66 6.827 -8.966 9.512 1.00 0.00 C ATOM 1030 OG1 THR A 66 6.967 -10.372 9.621 1.00 0.00 O ATOM 1031 CG2 THR A 66 7.855 -8.330 10.427 1.00 0.00 C ATOM 0 H THR A 66 3.701 -9.773 9.664 1.00 0.00 H new ATOM 0 HA THR A 66 5.203 -8.677 10.884 1.00 0.00 H new ATOM 0 HB THR A 66 7.013 -8.631 8.492 1.00 0.00 H new ATOM 0 HG1 THR A 66 7.892 -10.625 9.419 1.00 0.00 H new ATOM 0 HG21 THR A 66 8.851 -8.680 10.154 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.811 -7.246 10.326 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.643 -8.607 11.460 1.00 0.00 H new ATOM 1039 N ASN A 67 4.780 -6.274 10.483 1.00 0.00 N ATOM 1040 CA ASN A 67 4.564 -4.841 10.292 1.00 0.00 C ATOM 1041 C ASN A 67 5.820 -4.041 10.647 1.00 0.00 C ATOM 1042 O ASN A 67 5.753 -3.029 11.344 1.00 0.00 O ATOM 1043 CB ASN A 67 3.363 -4.364 11.123 1.00 0.00 C ATOM 1044 CG ASN A 67 2.051 -4.481 10.364 1.00 0.00 C ATOM 1045 OD1 ASN A 67 1.275 -3.527 10.299 1.00 0.00 O ATOM 1046 ND2 ASN A 67 1.793 -5.650 9.783 1.00 0.00 N ATOM 0 H ASN A 67 4.580 -6.610 11.425 1.00 0.00 H new ATOM 0 HA ASN A 67 4.346 -4.669 9.238 1.00 0.00 H new ATOM 0 HB2 ASN A 67 3.303 -4.950 12.040 1.00 0.00 H new ATOM 0 HB3 ASN A 67 3.518 -3.326 11.418 1.00 0.00 H new ATOM 0 HD21 ASN A 67 0.927 -5.780 9.261 1.00 0.00 H new ATOM 0 HD22 ASN A 67 2.462 -6.416 9.860 1.00 0.00 H new ATOM 1053 N LEU A 68 6.965 -4.505 10.143 1.00 0.00 N ATOM 1054 CA LEU A 68 8.245 -3.841 10.380 1.00 0.00 C ATOM 1055 C LEU A 68 8.767 -3.195 9.093 1.00 0.00 C ATOM 1056 O LEU A 68 9.007 -1.986 9.061 1.00 0.00 O ATOM 1057 CB LEU A 68 9.274 -4.828 10.944 1.00 0.00 C ATOM 1058 CG LEU A 68 9.936 -4.390 12.253 1.00 0.00 C ATOM 1059 CD1 LEU A 68 8.909 -4.305 13.375 1.00 0.00 C ATOM 1060 CD2 LEU A 68 11.060 -5.344 12.628 1.00 0.00 C ATOM 0 H LEU A 68 7.030 -5.343 9.565 1.00 0.00 H new ATOM 0 HA LEU A 68 8.087 -3.055 11.118 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.784 -5.789 11.105 1.00 0.00 H new ATOM 0 HB3 LEU A 68 10.051 -4.987 10.196 1.00 0.00 H new ATOM 0 HG LEU A 68 10.362 -3.398 12.105 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.401 -3.992 14.296 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.140 -3.580 13.110 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.450 -5.283 13.523 1.00 0.00 H new ATOM 0 HD21 LEU A 68 11.519 -5.017 13.561 1.00 0.00 H new ATOM 0 HD22 LEU A 68 10.657 -6.349 12.755 1.00 0.00 H new ATOM 0 HD23 LEU A 68 11.810 -5.351 11.837 1.00 0.00 H new ATOM 1072 N PRO A 69 8.940 -3.981 8.002 1.00 0.00 N ATOM 1073 CA PRO A 69 9.421 -3.459 6.715 1.00 0.00 C ATOM 1074 C PRO A 69 8.416 -2.498 6.069 1.00 0.00 C ATOM 1075 O PRO A 69 7.461 -2.060 6.711 1.00 0.00 O ATOM 1076 CB PRO A 69 9.596 -4.716 5.843 1.00 0.00 C ATOM 1077 CG PRO A 69 9.554 -5.866 6.792 1.00 0.00 C ATOM 1078 CD PRO A 69 8.679 -5.430 7.928 1.00 0.00 C ATOM 0 HA PRO A 69 10.339 -2.884 6.833 1.00 0.00 H new ATOM 0 HB2 PRO A 69 8.803 -4.791 5.099 1.00 0.00 H new ATOM 0 HB3 PRO A 69 10.541 -4.689 5.300 1.00 0.00 H new ATOM 0 HG2 PRO A 69 9.152 -6.756 6.309 1.00 0.00 H new ATOM 0 HG3 PRO A 69 10.554 -6.119 7.144 1.00 0.00 H new ATOM 0 HD2 PRO A 69 7.628 -5.642 7.734 1.00 0.00 H new ATOM 0 HD3 PRO A 69 8.940 -5.936 8.857 1.00 0.00 H new ATOM 1086 N THR A 70 8.637 -2.173 4.794 1.00 0.00 N ATOM 1087 CA THR A 70 7.755 -1.263 4.063 1.00 0.00 C ATOM 1088 C THR A 70 7.713 -1.631 2.582 1.00 0.00 C ATOM 1089 O THR A 70 8.625 -2.279 2.078 1.00 0.00 O ATOM 1090 CB THR A 70 8.237 0.185 4.235 1.00 0.00 C ATOM 1091 OG1 THR A 70 8.490 0.472 5.604 1.00 0.00 O ATOM 1092 CG2 THR A 70 7.250 1.214 3.728 1.00 0.00 C ATOM 0 H THR A 70 9.421 -2.527 4.246 1.00 0.00 H new ATOM 0 HA THR A 70 6.748 -1.353 4.469 1.00 0.00 H new ATOM 0 HB THR A 70 9.147 0.255 3.639 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.797 1.398 5.693 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.656 2.214 3.881 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.071 1.054 2.665 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.311 1.116 4.272 1.00 0.00 H new ATOM 1100 N VAL A 71 6.651 -1.225 1.891 1.00 0.00 N ATOM 1101 CA VAL A 71 6.504 -1.525 0.466 1.00 0.00 C ATOM 1102 C VAL A 71 6.095 -0.290 -0.330 1.00 0.00 C ATOM 1103 O VAL A 71 5.764 0.745 0.241 1.00 0.00 O ATOM 1104 CB VAL A 71 5.469 -2.642 0.227 1.00 0.00 C ATOM 1105 CG1 VAL A 71 6.045 -3.992 0.629 1.00 0.00 C ATOM 1106 CG2 VAL A 71 4.180 -2.352 0.983 1.00 0.00 C ATOM 0 H VAL A 71 5.881 -0.689 2.291 1.00 0.00 H new ATOM 0 HA VAL A 71 7.481 -1.863 0.121 1.00 0.00 H new ATOM 0 HB VAL A 71 5.233 -2.675 -0.837 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.303 -4.771 0.455 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.935 -4.199 0.035 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.311 -3.974 1.686 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.463 -3.153 0.801 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.391 -2.290 2.051 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.762 -1.406 0.640 1.00 0.00 H new ATOM 1116 N THR A 72 6.123 -0.403 -1.656 1.00 0.00 N ATOM 1117 CA THR A 72 5.751 0.715 -2.524 1.00 0.00 C ATOM 1118 C THR A 72 4.229 0.861 -2.621 1.00 0.00 C ATOM 1119 O THR A 72 3.500 -0.134 -2.659 1.00 0.00 O ATOM 1120 CB THR A 72 6.350 0.540 -3.926 1.00 0.00 C ATOM 1121 OG1 THR A 72 6.698 -0.812 -4.169 1.00 0.00 O ATOM 1122 CG2 THR A 72 7.588 1.379 -4.154 1.00 0.00 C ATOM 0 H THR A 72 6.397 -1.251 -2.152 1.00 0.00 H new ATOM 0 HA THR A 72 6.156 1.624 -2.078 1.00 0.00 H new ATOM 0 HB THR A 72 5.570 0.871 -4.611 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.076 -0.896 -5.069 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.962 1.209 -5.164 1.00 0.00 H new ATOM 0 HG22 THR A 72 7.341 2.433 -4.031 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.355 1.100 -3.431 1.00 0.00 H new ATOM 1130 N PRO A 73 3.731 2.114 -2.672 1.00 0.00 N ATOM 1131 CA PRO A 73 2.292 2.401 -2.774 1.00 0.00 C ATOM 1132 C PRO A 73 1.739 2.124 -4.171 1.00 0.00 C ATOM 1133 O PRO A 73 0.599 1.679 -4.321 1.00 0.00 O ATOM 1134 CB PRO A 73 2.213 3.893 -2.461 1.00 0.00 C ATOM 1135 CG PRO A 73 3.527 4.438 -2.900 1.00 0.00 C ATOM 1136 CD PRO A 73 4.536 3.353 -2.639 1.00 0.00 C ATOM 0 HA PRO A 73 1.702 1.773 -2.106 1.00 0.00 H new ATOM 0 HB2 PRO A 73 1.389 4.367 -2.994 1.00 0.00 H new ATOM 0 HB3 PRO A 73 2.047 4.067 -1.398 1.00 0.00 H new ATOM 0 HG2 PRO A 73 3.505 4.704 -3.957 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.777 5.344 -2.348 1.00 0.00 H new ATOM 0 HD2 PRO A 73 5.319 3.343 -3.397 1.00 0.00 H new ATOM 0 HD3 PRO A 73 5.028 3.486 -1.675 1.00 0.00 H new ATOM 1144 N THR A 74 2.564 2.389 -5.188 1.00 0.00 N ATOM 1145 CA THR A 74 2.186 2.171 -6.588 1.00 0.00 C ATOM 1146 C THR A 74 1.773 0.719 -6.853 1.00 0.00 C ATOM 1147 O THR A 74 1.136 0.435 -7.869 1.00 0.00 O ATOM 1148 CB THR A 74 3.339 2.559 -7.520 1.00 0.00 C ATOM 1149 OG1 THR A 74 4.593 2.330 -6.897 1.00 0.00 O ATOM 1150 CG2 THR A 74 3.298 4.009 -7.949 1.00 0.00 C ATOM 0 H THR A 74 3.507 2.758 -5.066 1.00 0.00 H new ATOM 0 HA THR A 74 1.324 2.806 -6.790 1.00 0.00 H new ATOM 0 HB THR A 74 3.218 1.930 -8.402 1.00 0.00 H new ATOM 0 HG1 THR A 74 5.314 2.583 -7.511 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.141 4.218 -8.607 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.366 4.205 -8.480 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.357 4.650 -7.070 1.00 0.00 H new ATOM 1158 N TYR A 75 2.131 -0.191 -5.936 1.00 0.00 N ATOM 1159 CA TYR A 75 1.785 -1.609 -6.070 1.00 0.00 C ATOM 1160 C TYR A 75 0.320 -1.788 -6.492 1.00 0.00 C ATOM 1161 O TYR A 75 -0.006 -2.716 -7.232 1.00 0.00 O ATOM 1162 CB TYR A 75 2.038 -2.339 -4.745 1.00 0.00 C ATOM 1163 CG TYR A 75 2.219 -3.838 -4.883 1.00 0.00 C ATOM 1164 CD1 TYR A 75 1.140 -4.666 -5.171 1.00 0.00 C ATOM 1165 CD2 TYR A 75 3.470 -4.423 -4.722 1.00 0.00 C ATOM 1166 CE1 TYR A 75 1.303 -6.034 -5.293 1.00 0.00 C ATOM 1167 CE2 TYR A 75 3.638 -5.789 -4.842 1.00 0.00 C ATOM 1168 CZ TYR A 75 2.553 -6.590 -5.128 1.00 0.00 C ATOM 1169 OH TYR A 75 2.717 -7.951 -5.248 1.00 0.00 O ATOM 0 H TYR A 75 2.661 0.032 -5.093 1.00 0.00 H new ATOM 0 HA TYR A 75 2.417 -2.037 -6.848 1.00 0.00 H new ATOM 0 HB2 TYR A 75 2.928 -1.919 -4.277 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.202 -2.146 -4.072 1.00 0.00 H new ATOM 0 HD1 TYR A 75 0.159 -4.234 -5.302 1.00 0.00 H new ATOM 0 HD2 TYR A 75 4.324 -3.800 -4.500 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.454 -6.664 -5.517 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.616 -6.228 -4.712 1.00 0.00 H new ATOM 0 HH TYR A 75 3.659 -8.181 -5.104 1.00 0.00 H new ATOM 1179 N ILE A 76 -0.555 -0.888 -6.027 1.00 0.00 N ATOM 1180 CA ILE A 76 -1.977 -0.943 -6.367 1.00 0.00 C ATOM 1181 C ILE A 76 -2.194 -0.954 -7.881 1.00 0.00 C ATOM 1182 O ILE A 76 -2.930 -1.793 -8.395 1.00 0.00 O ATOM 1183 CB ILE A 76 -2.759 0.244 -5.768 1.00 0.00 C ATOM 1184 CG1 ILE A 76 -2.680 0.227 -4.240 1.00 0.00 C ATOM 1185 CG2 ILE A 76 -4.210 0.210 -6.230 1.00 0.00 C ATOM 1186 CD1 ILE A 76 -3.379 -0.956 -3.611 1.00 0.00 C ATOM 0 H ILE A 76 -0.300 -0.114 -5.414 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.352 -1.872 -5.938 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.305 1.170 -6.122 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.632 0.222 -3.939 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -3.119 1.146 -3.852 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.749 1.054 -5.799 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.247 0.273 -7.318 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.674 -0.721 -5.904 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.282 -0.902 -2.527 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.435 -0.941 -3.882 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.925 -1.880 -3.970 1.00 0.00 H new ATOM 1198 N LYS A 77 -1.547 -0.027 -8.587 1.00 0.00 N ATOM 1199 CA LYS A 77 -1.671 0.051 -10.043 1.00 0.00 C ATOM 1200 C LYS A 77 -1.326 -1.292 -10.694 1.00 0.00 C ATOM 1201 O LYS A 77 -1.901 -1.658 -11.719 1.00 0.00 O ATOM 1202 CB LYS A 77 -0.773 1.161 -10.602 1.00 0.00 C ATOM 1203 CG LYS A 77 -1.336 2.562 -10.403 1.00 0.00 C ATOM 1204 CD LYS A 77 -1.123 3.437 -11.631 1.00 0.00 C ATOM 1205 CE LYS A 77 -2.436 4.017 -12.140 1.00 0.00 C ATOM 1206 NZ LYS A 77 -2.302 5.451 -12.526 1.00 0.00 N ATOM 0 H LYS A 77 -0.934 0.678 -8.177 1.00 0.00 H new ATOM 0 HA LYS A 77 -2.708 0.290 -10.281 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.205 1.101 -10.124 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.618 0.989 -11.667 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -2.402 2.498 -10.183 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.860 3.026 -9.539 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.437 4.248 -11.386 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.654 2.850 -12.420 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -2.778 3.441 -13.000 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -3.199 3.919 -11.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -3.218 5.806 -12.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -2.001 6.006 -11.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.593 5.542 -13.281 1.00 0.00 H new ATOM 1220 N ALA A 78 -0.397 -2.032 -10.078 1.00 0.00 N ATOM 1221 CA ALA A 78 0.009 -3.341 -10.585 1.00 0.00 C ATOM 1222 C ALA A 78 -0.871 -4.463 -10.023 1.00 0.00 C ATOM 1223 O ALA A 78 -0.973 -5.535 -10.618 1.00 0.00 O ATOM 1224 CB ALA A 78 1.471 -3.604 -10.255 1.00 0.00 C ATOM 0 H ALA A 78 0.086 -1.743 -9.227 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.118 -3.330 -11.668 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.760 -4.582 -10.638 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.092 -2.836 -10.716 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.610 -3.582 -9.174 1.00 0.00 H new ATOM 1230 N CYS A 79 -1.507 -4.217 -8.876 1.00 0.00 N ATOM 1231 CA CYS A 79 -2.376 -5.213 -8.247 1.00 0.00 C ATOM 1232 C CYS A 79 -3.800 -5.137 -8.801 1.00 0.00 C ATOM 1233 O CYS A 79 -4.507 -6.142 -8.848 1.00 0.00 O ATOM 1234 CB CYS A 79 -2.397 -5.014 -6.732 1.00 0.00 C ATOM 1235 SG CYS A 79 -2.690 -6.528 -5.786 1.00 0.00 S ATOM 0 H CYS A 79 -1.437 -3.337 -8.364 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.974 -6.200 -8.476 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -1.445 -4.583 -6.421 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.172 -4.289 -6.483 1.00 0.00 H new ATOM 0 HG CYS A 79 -2.566 -7.559 -6.568 1.00 0.00 H new ATOM 1241 N CYS A 80 -4.213 -3.941 -9.218 1.00 0.00 N ATOM 1242 CA CYS A 80 -5.550 -3.739 -9.766 1.00 0.00 C ATOM 1243 C CYS A 80 -5.572 -3.982 -11.278 1.00 0.00 C ATOM 1244 O CYS A 80 -6.573 -4.454 -11.820 1.00 0.00 O ATOM 1245 CB CYS A 80 -6.038 -2.321 -9.457 1.00 0.00 C ATOM 1246 SG CYS A 80 -7.826 -2.099 -9.629 1.00 0.00 S ATOM 0 H CYS A 80 -3.640 -3.098 -9.186 1.00 0.00 H new ATOM 0 HA CYS A 80 -6.219 -4.460 -9.296 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -5.747 -2.062 -8.439 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -5.531 -1.621 -10.121 1.00 0.00 H new ATOM 0 HG CYS A 80 -8.140 -0.870 -9.345 1.00 0.00 H new ATOM 1252 N GLN A 81 -4.468 -3.648 -11.952 1.00 0.00 N ATOM 1253 CA GLN A 81 -4.366 -3.825 -13.401 1.00 0.00 C ATOM 1254 C GLN A 81 -3.632 -5.116 -13.761 1.00 0.00 C ATOM 1255 O GLN A 81 -4.074 -5.860 -14.638 1.00 0.00 O ATOM 1256 CB GLN A 81 -3.656 -2.625 -14.037 1.00 0.00 C ATOM 1257 CG GLN A 81 -4.244 -1.281 -13.633 1.00 0.00 C ATOM 1258 CD GLN A 81 -3.540 -0.110 -14.296 1.00 0.00 C ATOM 1259 OE1 GLN A 81 -2.370 0.163 -14.021 1.00 0.00 O ATOM 1260 NE2 GLN A 81 -4.249 0.589 -15.174 1.00 0.00 N ATOM 0 H GLN A 81 -3.634 -3.254 -11.517 1.00 0.00 H new ATOM 0 HA GLN A 81 -5.380 -3.894 -13.795 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.602 -2.649 -13.759 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.702 -2.720 -15.122 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -5.302 -1.259 -13.894 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -4.181 -1.172 -12.550 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -5.215 0.329 -15.372 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.828 1.386 -15.650 1.00 0.00 H new ATOM 1269 N SER A 82 -2.510 -5.379 -13.087 1.00 0.00 N ATOM 1270 CA SER A 82 -1.721 -6.585 -13.353 1.00 0.00 C ATOM 1271 C SER A 82 -2.102 -7.737 -12.414 1.00 0.00 C ATOM 1272 O SER A 82 -1.640 -8.864 -12.599 1.00 0.00 O ATOM 1273 CB SER A 82 -0.219 -6.293 -13.229 1.00 0.00 C ATOM 1274 OG SER A 82 0.054 -4.906 -13.354 1.00 0.00 O ATOM 0 H SER A 82 -2.129 -4.777 -12.357 1.00 0.00 H new ATOM 0 HA SER A 82 -1.945 -6.892 -14.375 1.00 0.00 H new ATOM 0 HB2 SER A 82 0.144 -6.651 -12.265 1.00 0.00 H new ATOM 0 HB3 SER A 82 0.324 -6.842 -13.998 1.00 0.00 H new ATOM 0 HG SER A 82 1.018 -4.753 -13.269 1.00 0.00 H new ATOM 1280 N ASN A 83 -2.942 -7.451 -11.407 1.00 0.00 N ATOM 1281 CA ASN A 83 -3.382 -8.458 -10.440 1.00 0.00 C ATOM 1282 C ASN A 83 -2.235 -8.871 -9.512 1.00 0.00 C ATOM 1283 O ASN A 83 -2.205 -8.477 -8.346 1.00 0.00 O ATOM 1284 CB ASN A 83 -3.967 -9.687 -11.157 1.00 0.00 C ATOM 1285 CG ASN A 83 -5.332 -10.088 -10.620 1.00 0.00 C ATOM 1286 OD1 ASN A 83 -6.052 -9.272 -10.044 1.00 0.00 O ATOM 1287 ND2 ASN A 83 -5.697 -11.353 -10.806 1.00 0.00 N ATOM 0 H ASN A 83 -3.330 -6.522 -11.244 1.00 0.00 H new ATOM 0 HA ASN A 83 -4.167 -8.012 -9.829 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -4.049 -9.475 -12.223 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -3.279 -10.526 -11.051 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -6.602 -11.678 -10.466 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.072 -11.999 -11.288 1.00 0.00 H new ATOM 1294 N SER A 84 -1.292 -9.658 -10.037 1.00 0.00 N ATOM 1295 CA SER A 84 -0.141 -10.117 -9.259 1.00 0.00 C ATOM 1296 C SER A 84 0.804 -10.943 -10.132 1.00 0.00 C ATOM 1297 O SER A 84 1.017 -12.134 -9.890 1.00 0.00 O ATOM 1298 CB SER A 84 -0.603 -10.935 -8.044 1.00 0.00 C ATOM 1299 OG SER A 84 0.497 -11.311 -7.229 1.00 0.00 O ATOM 0 H SER A 84 -1.305 -9.991 -11.001 1.00 0.00 H new ATOM 0 HA SER A 84 0.400 -9.242 -8.900 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.311 -10.350 -7.457 1.00 0.00 H new ATOM 0 HB3 SER A 84 -1.130 -11.827 -8.382 1.00 0.00 H new ATOM 0 HG SER A 84 1.102 -11.887 -7.741 1.00 0.00 H new ATOM 1305 N LEU A 85 1.364 -10.299 -11.153 1.00 0.00 N ATOM 1306 CA LEU A 85 2.287 -10.963 -12.069 1.00 0.00 C ATOM 1307 C LEU A 85 3.739 -10.664 -11.701 1.00 0.00 C ATOM 1308 O LEU A 85 4.585 -11.559 -11.716 1.00 0.00 O ATOM 1309 CB LEU A 85 2.011 -10.524 -13.510 1.00 0.00 C ATOM 1310 CG LEU A 85 2.802 -11.280 -14.584 1.00 0.00 C ATOM 1311 CD1 LEU A 85 2.243 -12.682 -14.773 1.00 0.00 C ATOM 1312 CD2 LEU A 85 2.784 -10.507 -15.897 1.00 0.00 C ATOM 0 H LEU A 85 1.194 -9.316 -11.367 1.00 0.00 H new ATOM 0 HA LEU A 85 2.128 -12.038 -11.986 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.947 -10.645 -13.712 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.234 -9.461 -13.598 1.00 0.00 H new ATOM 0 HG LEU A 85 3.837 -11.371 -14.254 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.818 -13.203 -15.539 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.311 -13.230 -13.833 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.200 -12.619 -15.082 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.350 -11.056 -16.650 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.754 -10.385 -16.234 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.235 -9.526 -15.748 1.00 0.00 H new ATOM 1324 N LEU A 86 4.023 -9.402 -11.376 1.00 0.00 N ATOM 1325 CA LEU A 86 5.375 -8.991 -11.010 1.00 0.00 C ATOM 1326 C LEU A 86 5.491 -8.771 -9.502 1.00 0.00 C ATOM 1327 O LEU A 86 5.303 -7.656 -9.010 1.00 0.00 O ATOM 1328 CB LEU A 86 5.767 -7.711 -11.759 1.00 0.00 C ATOM 1329 CG LEU A 86 5.328 -7.649 -13.224 1.00 0.00 C ATOM 1330 CD1 LEU A 86 4.558 -6.366 -13.494 1.00 0.00 C ATOM 1331 CD2 LEU A 86 6.531 -7.762 -14.150 1.00 0.00 C ATOM 0 H LEU A 86 3.335 -8.649 -11.359 1.00 0.00 H new ATOM 0 HA LEU A 86 6.058 -9.791 -11.294 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.341 -6.857 -11.233 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.851 -7.603 -11.717 1.00 0.00 H new ATOM 0 HG LEU A 86 4.667 -8.493 -13.422 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.253 -6.338 -14.540 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.674 -6.331 -12.857 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.194 -5.508 -13.278 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.198 -7.716 -15.187 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.220 -6.941 -13.953 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.038 -8.711 -13.974 1.00 0.00 H new ATOM 1343 N ASN A 87 5.810 -9.839 -8.774 1.00 0.00 N ATOM 1344 CA ASN A 87 5.963 -9.759 -7.321 1.00 0.00 C ATOM 1345 C ASN A 87 7.285 -9.096 -6.951 1.00 0.00 C ATOM 1346 O ASN A 87 7.386 -8.442 -5.912 1.00 0.00 O ATOM 1347 CB ASN A 87 5.873 -11.149 -6.683 1.00 0.00 C ATOM 1348 CG ASN A 87 5.556 -11.088 -5.200 1.00 0.00 C ATOM 1349 OD1 ASN A 87 4.418 -11.304 -4.788 1.00 0.00 O ATOM 1350 ND2 ASN A 87 6.566 -10.792 -4.386 1.00 0.00 N ATOM 0 H ASN A 87 5.967 -10.768 -9.164 1.00 0.00 H new ATOM 0 HA ASN A 87 5.147 -9.148 -6.934 1.00 0.00 H new ATOM 0 HB2 ASN A 87 5.104 -11.730 -7.192 1.00 0.00 H new ATOM 0 HB3 ASN A 87 6.817 -11.674 -6.828 1.00 0.00 H new ATOM 0 HD21 ASN A 87 6.411 -10.737 -3.379 1.00 0.00 H new ATOM 0 HD22 ASN A 87 7.496 -10.620 -4.769 1.00 0.00 H new ATOM 1357 N MET A 88 8.293 -9.247 -7.814 1.00 0.00 N ATOM 1358 CA MET A 88 9.596 -8.635 -7.580 1.00 0.00 C ATOM 1359 C MET A 88 9.463 -7.113 -7.460 1.00 0.00 C ATOM 1360 O MET A 88 10.338 -6.449 -6.902 1.00 0.00 O ATOM 1361 CB MET A 88 10.568 -8.988 -8.714 1.00 0.00 C ATOM 1362 CG MET A 88 11.781 -9.782 -8.255 1.00 0.00 C ATOM 1363 SD MET A 88 13.269 -9.388 -9.194 1.00 0.00 S ATOM 1364 CE MET A 88 13.696 -7.794 -8.497 1.00 0.00 C ATOM 0 H MET A 88 8.229 -9.787 -8.677 1.00 0.00 H new ATOM 0 HA MET A 88 9.992 -9.027 -6.643 1.00 0.00 H new ATOM 0 HB2 MET A 88 10.035 -9.562 -9.472 1.00 0.00 H new ATOM 0 HB3 MET A 88 10.906 -8.068 -9.190 1.00 0.00 H new ATOM 0 HG2 MET A 88 11.961 -9.584 -7.198 1.00 0.00 H new ATOM 0 HG3 MET A 88 11.569 -10.847 -8.348 1.00 0.00 H new ATOM 0 HE1 MET A 88 14.005 -7.119 -9.295 1.00 0.00 H new ATOM 0 HE2 MET A 88 12.829 -7.377 -7.985 1.00 0.00 H new ATOM 0 HE3 MET A 88 14.514 -7.915 -7.787 1.00 0.00 H new ATOM 1374 N GLU A 89 8.354 -6.565 -7.978 1.00 0.00 N ATOM 1375 CA GLU A 89 8.103 -5.128 -7.917 1.00 0.00 C ATOM 1376 C GLU A 89 7.619 -4.684 -6.542 1.00 0.00 C ATOM 1377 O GLU A 89 7.429 -3.488 -6.313 1.00 0.00 O ATOM 1378 CB GLU A 89 7.095 -4.718 -8.997 1.00 0.00 C ATOM 1379 CG GLU A 89 6.956 -3.212 -9.174 1.00 0.00 C ATOM 1380 CD GLU A 89 5.530 -2.729 -8.979 1.00 0.00 C ATOM 1381 OE1 GLU A 89 5.112 -2.558 -7.812 1.00 0.00 O ATOM 1382 OE2 GLU A 89 4.831 -2.521 -9.991 1.00 0.00 O ATOM 0 H GLU A 89 7.620 -7.100 -8.443 1.00 0.00 H new ATOM 0 HA GLU A 89 9.052 -4.625 -8.102 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.396 -5.159 -9.947 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.120 -5.136 -8.747 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.608 -2.705 -8.462 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.296 -2.934 -10.172 1.00 0.00 H new ATOM 1389 N ASN A 90 7.460 -5.629 -5.610 1.00 0.00 N ATOM 1390 CA ASN A 90 7.049 -5.281 -4.255 1.00 0.00 C ATOM 1391 C ASN A 90 7.931 -4.146 -3.736 1.00 0.00 C ATOM 1392 O ASN A 90 7.488 -3.319 -2.938 1.00 0.00 O ATOM 1393 CB ASN A 90 7.159 -6.496 -3.328 1.00 0.00 C ATOM 1394 CG ASN A 90 5.899 -6.718 -2.512 1.00 0.00 C ATOM 1395 OD1 ASN A 90 5.541 -5.894 -1.672 1.00 0.00 O ATOM 1396 ND2 ASN A 90 5.220 -7.832 -2.757 1.00 0.00 N ATOM 0 H ASN A 90 7.608 -6.626 -5.769 1.00 0.00 H new ATOM 0 HA ASN A 90 6.008 -4.958 -4.272 1.00 0.00 H new ATOM 0 HB2 ASN A 90 7.365 -7.386 -3.923 1.00 0.00 H new ATOM 0 HB3 ASN A 90 8.005 -6.360 -2.655 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.364 -8.032 -2.239 1.00 0.00 H new ATOM 0 HD22 ASN A 90 5.554 -8.488 -3.463 1.00 0.00 H new ATOM 1403 N TYR A 91 9.187 -4.123 -4.217 1.00 0.00 N ATOM 1404 CA TYR A 91 10.163 -3.110 -3.843 1.00 0.00 C ATOM 1405 C TYR A 91 10.119 -2.831 -2.347 1.00 0.00 C ATOM 1406 O TYR A 91 10.269 -1.691 -1.899 1.00 0.00 O ATOM 1407 CB TYR A 91 9.940 -1.835 -4.661 1.00 0.00 C ATOM 1408 CG TYR A 91 11.133 -0.905 -4.664 1.00 0.00 C ATOM 1409 CD1 TYR A 91 12.398 -1.377 -4.984 1.00 0.00 C ATOM 1410 CD2 TYR A 91 10.994 0.441 -4.347 1.00 0.00 C ATOM 1411 CE1 TYR A 91 13.493 -0.537 -4.989 1.00 0.00 C ATOM 1412 CE2 TYR A 91 12.086 1.288 -4.351 1.00 0.00 C ATOM 1413 CZ TYR A 91 13.333 0.795 -4.671 1.00 0.00 C ATOM 1414 OH TYR A 91 14.425 1.636 -4.673 1.00 0.00 O ATOM 0 H TYR A 91 9.545 -4.813 -4.877 1.00 0.00 H new ATOM 0 HA TYR A 91 11.160 -3.488 -4.069 1.00 0.00 H new ATOM 0 HB2 TYR A 91 9.700 -2.109 -5.688 1.00 0.00 H new ATOM 0 HB3 TYR A 91 9.076 -1.304 -4.263 1.00 0.00 H new ATOM 0 HD1 TYR A 91 12.528 -2.420 -5.233 1.00 0.00 H new ATOM 0 HD2 TYR A 91 10.019 0.830 -4.094 1.00 0.00 H new ATOM 0 HE1 TYR A 91 14.470 -0.921 -5.241 1.00 0.00 H new ATOM 0 HE2 TYR A 91 11.963 2.332 -4.104 1.00 0.00 H new ATOM 0 HH TYR A 91 14.141 2.541 -4.428 1.00 0.00 H new ATOM 1424 N LEU A 92 9.920 -3.898 -1.586 1.00 0.00 N ATOM 1425 CA LEU A 92 9.859 -3.804 -0.137 1.00 0.00 C ATOM 1426 C LEU A 92 11.223 -3.424 0.436 1.00 0.00 C ATOM 1427 O LEU A 92 12.238 -4.046 0.115 1.00 0.00 O ATOM 1428 CB LEU A 92 9.381 -5.124 0.474 1.00 0.00 C ATOM 1429 CG LEU A 92 10.154 -6.375 0.037 1.00 0.00 C ATOM 1430 CD1 LEU A 92 11.184 -6.768 1.089 1.00 0.00 C ATOM 1431 CD2 LEU A 92 9.198 -7.532 -0.232 1.00 0.00 C ATOM 0 H LEU A 92 9.798 -4.842 -1.952 1.00 0.00 H new ATOM 0 HA LEU A 92 9.142 -3.024 0.119 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.439 -5.043 1.559 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.330 -5.261 0.221 1.00 0.00 H new ATOM 0 HG LEU A 92 10.681 -6.142 -0.888 1.00 0.00 H new ATOM 0 HD11 LEU A 92 11.720 -7.657 0.759 1.00 0.00 H new ATOM 0 HD12 LEU A 92 11.890 -5.950 1.230 1.00 0.00 H new ATOM 0 HD13 LEU A 92 10.679 -6.978 2.032 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.766 -8.409 -0.541 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.640 -7.762 0.676 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.503 -7.253 -1.024 1.00 0.00 H new ATOM 1443 N VAL A 93 11.233 -2.401 1.284 1.00 0.00 N ATOM 1444 CA VAL A 93 12.461 -1.926 1.911 1.00 0.00 C ATOM 1445 C VAL A 93 12.841 -2.819 3.091 1.00 0.00 C ATOM 1446 O VAL A 93 12.165 -2.820 4.123 1.00 0.00 O ATOM 1447 CB VAL A 93 12.318 -0.467 2.406 1.00 0.00 C ATOM 1448 CG1 VAL A 93 13.644 0.059 2.936 1.00 0.00 C ATOM 1449 CG2 VAL A 93 11.792 0.437 1.299 1.00 0.00 C ATOM 0 H VAL A 93 10.398 -1.882 1.554 1.00 0.00 H new ATOM 0 HA VAL A 93 13.245 -1.963 1.154 1.00 0.00 H new ATOM 0 HB VAL A 93 11.596 -0.463 3.222 1.00 0.00 H new ATOM 0 HG11 VAL A 93 13.517 1.086 3.278 1.00 0.00 H new ATOM 0 HG12 VAL A 93 13.975 -0.562 3.768 1.00 0.00 H new ATOM 0 HG13 VAL A 93 14.390 0.030 2.142 1.00 0.00 H new ATOM 0 HG21 VAL A 93 11.701 1.456 1.674 1.00 0.00 H new ATOM 0 HG22 VAL A 93 12.483 0.421 0.457 1.00 0.00 H new ATOM 0 HG23 VAL A 93 10.814 0.082 0.973 1.00 0.00 H new ATOM 1459 N PRO A 94 13.936 -3.594 2.955 1.00 0.00 N ATOM 1460 CA PRO A 94 14.405 -4.491 4.014 1.00 0.00 C ATOM 1461 C PRO A 94 15.075 -3.736 5.157 1.00 0.00 C ATOM 1462 O PRO A 94 15.388 -2.550 5.033 1.00 0.00 O ATOM 1463 CB PRO A 94 15.424 -5.377 3.298 1.00 0.00 C ATOM 1464 CG PRO A 94 15.952 -4.522 2.200 1.00 0.00 C ATOM 1465 CD PRO A 94 14.801 -3.657 1.760 1.00 0.00 C ATOM 0 HA PRO A 94 13.585 -5.042 4.475 1.00 0.00 H new ATOM 0 HB2 PRO A 94 16.219 -5.693 3.973 1.00 0.00 H new ATOM 0 HB3 PRO A 94 14.959 -6.282 2.908 1.00 0.00 H new ATOM 0 HG2 PRO A 94 16.788 -3.914 2.546 1.00 0.00 H new ATOM 0 HG3 PRO A 94 16.321 -5.130 1.374 1.00 0.00 H new ATOM 0 HD2 PRO A 94 15.138 -2.666 1.456 1.00 0.00 H new ATOM 0 HD3 PRO A 94 14.277 -4.090 0.908 1.00 0.00 H new ATOM 1473 N TYR A 95 15.295 -4.438 6.266 1.00 0.00 N ATOM 1474 CA TYR A 95 15.933 -3.847 7.441 1.00 0.00 C ATOM 1475 C TYR A 95 16.556 -4.930 8.327 1.00 0.00 C ATOM 1476 O TYR A 95 17.719 -4.827 8.715 1.00 0.00 O ATOM 1477 CB TYR A 95 14.920 -3.021 8.242 1.00 0.00 C ATOM 1478 CG TYR A 95 14.812 -1.580 7.786 1.00 0.00 C ATOM 1479 CD1 TYR A 95 15.902 -0.722 7.866 1.00 0.00 C ATOM 1480 CD2 TYR A 95 13.621 -1.078 7.274 1.00 0.00 C ATOM 1481 CE1 TYR A 95 15.810 0.591 7.450 1.00 0.00 C ATOM 1482 CE2 TYR A 95 13.521 0.234 6.856 1.00 0.00 C ATOM 1483 CZ TYR A 95 14.618 1.065 6.945 1.00 0.00 C ATOM 1484 OH TYR A 95 14.522 2.372 6.527 1.00 0.00 O ATOM 0 H TYR A 95 15.040 -5.420 6.376 1.00 0.00 H new ATOM 0 HA TYR A 95 16.729 -3.187 7.098 1.00 0.00 H new ATOM 0 HB2 TYR A 95 13.940 -3.491 8.166 1.00 0.00 H new ATOM 0 HB3 TYR A 95 15.201 -3.039 9.295 1.00 0.00 H new ATOM 0 HD1 TYR A 95 16.838 -1.089 8.261 1.00 0.00 H new ATOM 0 HD2 TYR A 95 12.759 -1.725 7.202 1.00 0.00 H new ATOM 0 HE1 TYR A 95 16.668 1.244 7.520 1.00 0.00 H new ATOM 0 HE2 TYR A 95 12.588 0.608 6.461 1.00 0.00 H new ATOM 0 HH TYR A 95 13.615 2.544 6.198 1.00 0.00 H new ATOM 1494 N ASP A 96 15.774 -5.973 8.630 1.00 0.00 N ATOM 1495 CA ASP A 96 16.248 -7.084 9.458 1.00 0.00 C ATOM 1496 C ASP A 96 16.710 -8.258 8.593 1.00 0.00 C ATOM 1497 O ASP A 96 17.688 -8.930 8.925 1.00 0.00 O ATOM 1498 CB ASP A 96 15.150 -7.545 10.428 1.00 0.00 C ATOM 1499 CG ASP A 96 13.825 -7.833 9.741 1.00 0.00 C ATOM 1500 OD1 ASP A 96 13.653 -8.959 9.231 1.00 0.00 O ATOM 1501 OD2 ASP A 96 12.960 -6.930 9.712 1.00 0.00 O ATOM 0 H ASP A 96 14.809 -6.069 8.313 1.00 0.00 H new ATOM 0 HA ASP A 96 17.100 -6.726 10.036 1.00 0.00 H new ATOM 0 HB2 ASP A 96 15.486 -8.443 10.946 1.00 0.00 H new ATOM 0 HB3 ASP A 96 14.999 -6.777 11.187 1.00 0.00 H new ATOM 1506 N ASN A 97 15.999 -8.496 7.482 1.00 0.00 N ATOM 1507 CA ASN A 97 16.320 -9.584 6.556 1.00 0.00 C ATOM 1508 C ASN A 97 16.080 -10.953 7.204 1.00 0.00 C ATOM 1509 O ASN A 97 14.990 -11.522 6.982 1.00 0.00 O ATOM 1510 CB ASN A 97 17.770 -9.459 6.063 1.00 0.00 C ATOM 1511 CG ASN A 97 17.889 -9.612 4.556 1.00 0.00 C ATOM 1512 OD1 ASN A 97 18.430 -8.740 3.878 1.00 0.00 O ATOM 1513 ND2 ASN A 97 17.389 -10.723 4.024 1.00 0.00 N ATOM 0 H ASN A 97 15.190 -7.941 7.203 1.00 0.00 H new ATOM 0 HA ASN A 97 15.655 -9.504 5.696 1.00 0.00 H new ATOM 0 HB2 ASN A 97 18.168 -8.488 6.359 1.00 0.00 H new ATOM 0 HB3 ASN A 97 18.383 -10.217 6.551 1.00 0.00 H new ATOM 0 HD21 ASN A 97 17.446 -10.877 3.017 1.00 0.00 H new ATOM 0 HD22 ASN A 97 16.948 -11.421 4.623 1.00 0.00 H new TER 1520 ASN A 97