USER MOD reduce.3.24.130724 H: found=0, std=0, add=1131, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1118 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 10 TYR OH : rot 180:sc= -0.0231 USER MOD Set 1.2: A 12 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 89 TYR OH : rot 180:sc= -0.0435 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -107:sc= 0.0878 (180deg=0) USER MOD Single : A 2 ASN : amide:sc=-0.00988 X(o=-0.0099,f=-0.3) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 CYS SG : rot -155:sc= -0.609 USER MOD Single : A 13 ASN : amide:sc= -0.473 K(o=-0.47,f=-1.6!) USER MOD Single : A 16 HIS : no HD1:sc= -2.32 K(o=-2.3,f=-4.9!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 HIS : no HD1:sc= -3.75! C(o=-3.7!,f=-7.7!) USER MOD Single : A 38 GLN : amide:sc= -0.283 X(o=-0.28,f=0) USER MOD Single : A 40 GLN : amide:sc= -0.0121 X(o=-0.012,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 174:sc= -0.463 USER MOD Single : A 50 TYR OH : rot -15:sc= -1.77 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -136:sc= -2.18 USER MOD Single : A 54 THR OG1 : rot -90:sc= 0.373 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.166 USER MOD Single : A 58 GLN : amide:sc= -0.528 X(o=-0.53,f=-0.5) USER MOD Single : A 59 TYR OH : rot 180:sc=-0.00759 USER MOD Single : A 62 MET CE :methyl -146:sc= -0.457 (180deg=-2.27!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0154 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -113:sc= 0.695 USER MOD Single : A 72 GLN : amide:sc= -0.019 K(o=-0.019,f=-2.9!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.00463 USER MOD Single : A 75 ASN : amide:sc=-0.00568 X(o=-0.0057,f=0) USER MOD Single : A 78 CYS SG : rot 60:sc= -3.91! USER MOD Single : A 87 ASN :FLIP amide:sc= 0.254 F(o=-0.46,f=0.25) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 ASN : amide:sc= -0.613 K(o=-0.61,f=-2.5!) USER MOD Single : A 91 THR OG1 : rot 156:sc= -1.2 USER MOD Single : A 92 TYR OH : rot 165:sc= 0 USER MOD Single : A 94 SER OG : rot 76:sc= 0.0222 USER MOD Single : A 95 LYS NZ :NH3+ -107:sc= -0.615 (180deg=-3.12!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 HIS :FLIP no HD1:sc= -2.8 F(o=-4.9!,f=-2.8) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= -0.168 X(o=-0.17,f=-0.096) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 ASN : amide:sc= -0.257 K(o=-0.26,f=-2.3!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 CYS SG : rot 24:sc= 0.327 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot -98:sc= 0.797 USER MOD Single : A 119 HIS : no HD1:sc= -0.489 X(o=-0.49,f=-0.38) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 GLN :FLIP amide:sc= -0.533 F(o=-2.3,f=-0.53) USER MOD Single : A 123 LYS NZ :NH3+ -109:sc= -1.16 (180deg=-3.38!) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 138 HIS : no HD1:sc= -0.0687 K(o=-0.069,f=-1.6) USER MOD Single : A 139 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 140 HIS : no HD1:sc= -0.15 K(o=-0.15,f=-1) USER MOD Single : A 141 HIS : no HD1:sc= -1.43 K(o=-1.4,f=-3!) USER MOD Single : A 142 HIS : no HD1:sc= -1.15 X(o=-1.1,f=-1.1) USER MOD Single : A 143 HIS : no HD1:sc= -0.267 X(o=-0.27,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.754 -11.914 15.279 1.00 0.00 N ATOM 2 CA MET A 1 11.477 -11.651 13.877 1.00 0.00 C ATOM 3 C MET A 1 12.610 -10.846 13.237 1.00 0.00 C ATOM 4 O MET A 1 13.407 -10.224 13.937 1.00 0.00 O ATOM 5 CB MET A 1 10.164 -10.875 13.752 1.00 0.00 C ATOM 6 CG MET A 1 9.580 -11.011 12.345 1.00 0.00 C ATOM 7 SD MET A 1 7.821 -11.303 12.440 1.00 0.00 S ATOM 8 CE MET A 1 7.217 -9.811 11.670 1.00 0.00 C ATOM 0 H1 MET A 1 12.006 -12.916 15.401 1.00 0.00 H new ATOM 0 H2 MET A 1 12.545 -11.317 15.594 1.00 0.00 H new ATOM 0 H3 MET A 1 10.910 -11.698 15.846 1.00 0.00 H new ATOM 0 HA MET A 1 11.395 -12.605 13.356 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.447 -11.245 14.485 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.336 -9.823 13.978 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.776 -10.105 11.772 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.066 -11.833 11.819 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.127 -9.829 11.647 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.554 -8.945 12.240 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.601 -9.746 10.652 1.00 0.00 H new ATOM 18 N ASN A 2 12.644 -10.883 11.913 1.00 0.00 N ATOM 19 CA ASN A 2 13.665 -10.164 11.170 1.00 0.00 C ATOM 20 C ASN A 2 13.052 -9.593 9.890 1.00 0.00 C ATOM 21 O ASN A 2 12.605 -10.343 9.023 1.00 0.00 O ATOM 22 CB ASN A 2 14.813 -11.094 10.771 1.00 0.00 C ATOM 23 CG ASN A 2 16.163 -10.386 10.901 1.00 0.00 C ATOM 24 OD1 ASN A 2 16.289 -9.191 10.690 1.00 0.00 O ATOM 25 ND2 ASN A 2 17.161 -11.188 11.261 1.00 0.00 N ATOM 0 H ASN A 2 11.981 -11.400 11.336 1.00 0.00 H new ATOM 0 HA ASN A 2 14.050 -9.369 11.809 1.00 0.00 H new ATOM 0 HB2 ASN A 2 14.802 -11.982 11.402 1.00 0.00 H new ATOM 0 HB3 ASN A 2 14.673 -11.431 9.744 1.00 0.00 H new ATOM 0 HD21 ASN A 2 18.102 -10.811 11.376 1.00 0.00 H new ATOM 0 HD22 ASN A 2 16.986 -12.180 11.422 1.00 0.00 H new ATOM 32 N TYR A 3 13.050 -8.270 9.812 1.00 0.00 N ATOM 33 CA TYR A 3 12.499 -7.590 8.652 1.00 0.00 C ATOM 34 C TYR A 3 13.227 -8.009 7.374 1.00 0.00 C ATOM 35 O TYR A 3 14.430 -7.788 7.239 1.00 0.00 O ATOM 36 CB TYR A 3 12.729 -6.097 8.891 1.00 0.00 C ATOM 37 CG TYR A 3 11.734 -5.461 9.863 1.00 0.00 C ATOM 38 CD1 TYR A 3 10.508 -5.022 9.407 1.00 0.00 C ATOM 39 CD2 TYR A 3 12.062 -5.326 11.197 1.00 0.00 C ATOM 40 CE1 TYR A 3 9.571 -4.424 10.322 1.00 0.00 C ATOM 41 CE2 TYR A 3 11.125 -4.728 12.112 1.00 0.00 C ATOM 42 CZ TYR A 3 9.926 -4.306 11.630 1.00 0.00 C ATOM 43 OH TYR A 3 9.041 -3.741 12.494 1.00 0.00 O ATOM 0 H TYR A 3 13.421 -7.651 10.533 1.00 0.00 H new ATOM 0 HA TYR A 3 11.444 -7.836 8.527 1.00 0.00 H new ATOM 0 HB2 TYR A 3 13.739 -5.953 9.275 1.00 0.00 H new ATOM 0 HB3 TYR A 3 12.673 -5.574 7.936 1.00 0.00 H new ATOM 0 HD1 TYR A 3 10.251 -5.127 8.363 1.00 0.00 H new ATOM 0 HD2 TYR A 3 13.022 -5.669 11.554 1.00 0.00 H new ATOM 0 HE1 TYR A 3 8.608 -4.077 9.978 1.00 0.00 H new ATOM 0 HE2 TYR A 3 11.369 -4.617 13.158 1.00 0.00 H new ATOM 0 HH TYR A 3 9.428 -3.723 13.394 1.00 0.00 H new ATOM 53 N LYS A 4 12.468 -8.606 6.466 1.00 0.00 N ATOM 54 CA LYS A 4 13.026 -9.057 5.203 1.00 0.00 C ATOM 55 C LYS A 4 11.890 -9.490 4.274 1.00 0.00 C ATOM 56 O LYS A 4 10.748 -9.630 4.708 1.00 0.00 O ATOM 57 CB LYS A 4 14.076 -10.145 5.440 1.00 0.00 C ATOM 58 CG LYS A 4 15.239 -10.009 4.455 1.00 0.00 C ATOM 59 CD LYS A 4 15.784 -11.381 4.056 1.00 0.00 C ATOM 60 CE LYS A 4 17.141 -11.252 3.361 1.00 0.00 C ATOM 61 NZ LYS A 4 16.977 -11.304 1.891 1.00 0.00 N ATOM 0 H LYS A 4 11.471 -8.788 6.581 1.00 0.00 H new ATOM 0 HA LYS A 4 13.551 -8.242 4.705 1.00 0.00 H new ATOM 0 HB2 LYS A 4 14.450 -10.078 6.462 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.617 -11.128 5.333 1.00 0.00 H new ATOM 0 HG2 LYS A 4 14.906 -9.474 3.566 1.00 0.00 H new ATOM 0 HG3 LYS A 4 16.034 -9.415 4.906 1.00 0.00 H new ATOM 0 HD2 LYS A 4 15.883 -12.008 4.942 1.00 0.00 H new ATOM 0 HD3 LYS A 4 15.077 -11.878 3.392 1.00 0.00 H new ATOM 0 HE2 LYS A 4 17.615 -10.313 3.647 1.00 0.00 H new ATOM 0 HE3 LYS A 4 17.802 -12.055 3.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 17.907 -11.215 1.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 16.544 -12.211 1.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 16.364 -10.523 1.582 1.00 0.00 H new ATOM 75 N LYS A 5 12.244 -9.689 3.013 1.00 0.00 N ATOM 76 CA LYS A 5 11.268 -10.103 2.019 1.00 0.00 C ATOM 77 C LYS A 5 10.405 -8.902 1.626 1.00 0.00 C ATOM 78 O LYS A 5 9.275 -8.766 2.092 1.00 0.00 O ATOM 79 CB LYS A 5 10.461 -11.300 2.526 1.00 0.00 C ATOM 80 CG LYS A 5 9.810 -12.053 1.364 1.00 0.00 C ATOM 81 CD LYS A 5 8.376 -11.571 1.134 1.00 0.00 C ATOM 82 CE LYS A 5 7.380 -12.723 1.285 1.00 0.00 C ATOM 83 NZ LYS A 5 6.846 -13.123 -0.036 1.00 0.00 N ATOM 0 H LYS A 5 13.193 -9.571 2.657 1.00 0.00 H new ATOM 0 HA LYS A 5 11.769 -10.446 1.114 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.113 -11.974 3.081 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.692 -10.958 3.219 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.397 -11.907 0.457 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.809 -13.123 1.574 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.135 -10.782 1.846 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.289 -11.139 0.137 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.869 -13.574 1.759 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.562 -12.421 1.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.172 -13.906 0.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.362 -12.314 -0.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.628 -13.431 -0.648 1.00 0.00 H new ATOM 97 N PRO A 6 10.986 -8.039 0.751 1.00 0.00 N ATOM 98 CA PRO A 6 10.283 -6.854 0.290 1.00 0.00 C ATOM 99 C PRO A 6 9.204 -7.218 -0.732 1.00 0.00 C ATOM 100 O PRO A 6 9.025 -8.391 -1.059 1.00 0.00 O ATOM 101 CB PRO A 6 11.364 -5.953 -0.284 1.00 0.00 C ATOM 102 CG PRO A 6 12.561 -6.853 -0.547 1.00 0.00 C ATOM 103 CD PRO A 6 12.323 -8.168 0.178 1.00 0.00 C ATOM 0 HA PRO A 6 9.744 -6.347 1.091 1.00 0.00 H new ATOM 0 HB2 PRO A 6 11.026 -5.474 -1.203 1.00 0.00 H new ATOM 0 HB3 PRO A 6 11.620 -5.157 0.415 1.00 0.00 H new ATOM 0 HG2 PRO A 6 12.683 -7.023 -1.617 1.00 0.00 H new ATOM 0 HG3 PRO A 6 13.478 -6.382 -0.193 1.00 0.00 H new ATOM 0 HD2 PRO A 6 12.380 -9.014 -0.507 1.00 0.00 H new ATOM 0 HD3 PRO A 6 13.071 -8.334 0.953 1.00 0.00 H new ATOM 111 N LYS A 7 8.514 -6.193 -1.207 1.00 0.00 N ATOM 112 CA LYS A 7 7.458 -6.391 -2.185 1.00 0.00 C ATOM 113 C LYS A 7 7.432 -5.203 -3.150 1.00 0.00 C ATOM 114 O LYS A 7 7.972 -4.141 -2.846 1.00 0.00 O ATOM 115 CB LYS A 7 6.120 -6.643 -1.486 1.00 0.00 C ATOM 116 CG LYS A 7 5.745 -8.126 -1.539 1.00 0.00 C ATOM 117 CD LYS A 7 5.274 -8.621 -0.170 1.00 0.00 C ATOM 118 CE LYS A 7 3.749 -8.734 -0.123 1.00 0.00 C ATOM 119 NZ LYS A 7 3.185 -7.739 0.815 1.00 0.00 N ATOM 0 H LYS A 7 8.665 -5.222 -0.933 1.00 0.00 H new ATOM 0 HA LYS A 7 7.654 -7.283 -2.781 1.00 0.00 H new ATOM 0 HB2 LYS A 7 6.181 -6.316 -0.448 1.00 0.00 H new ATOM 0 HB3 LYS A 7 5.339 -6.049 -1.962 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.957 -8.279 -2.276 1.00 0.00 H new ATOM 0 HG3 LYS A 7 6.605 -8.711 -1.865 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.721 -9.592 0.043 1.00 0.00 H new ATOM 0 HD3 LYS A 7 5.616 -7.936 0.606 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.336 -8.578 -1.120 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.462 -9.739 0.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.149 -7.829 0.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.566 -7.906 1.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.443 -6.781 0.502 1.00 0.00 H new ATOM 133 N LEU A 8 6.800 -5.424 -4.293 1.00 0.00 N ATOM 134 CA LEU A 8 6.697 -4.385 -5.304 1.00 0.00 C ATOM 135 C LEU A 8 5.221 -4.089 -5.577 1.00 0.00 C ATOM 136 O LEU A 8 4.410 -5.008 -5.683 1.00 0.00 O ATOM 137 CB LEU A 8 7.488 -4.775 -6.555 1.00 0.00 C ATOM 138 CG LEU A 8 8.769 -5.576 -6.315 1.00 0.00 C ATOM 139 CD1 LEU A 8 9.089 -6.471 -7.515 1.00 0.00 C ATOM 140 CD2 LEU A 8 9.936 -4.651 -5.964 1.00 0.00 C ATOM 0 H LEU A 8 6.354 -6.307 -4.542 1.00 0.00 H new ATOM 0 HA LEU A 8 7.147 -3.459 -4.946 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.836 -5.357 -7.206 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.748 -3.865 -7.095 1.00 0.00 H new ATOM 0 HG LEU A 8 8.607 -6.230 -5.459 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.004 -7.029 -7.319 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.267 -7.168 -7.679 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.224 -5.854 -8.403 1.00 0.00 H new ATOM 0 HD21 LEU A 8 10.834 -5.246 -5.798 1.00 0.00 H new ATOM 0 HD22 LEU A 8 10.108 -3.955 -6.785 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.698 -4.093 -5.058 1.00 0.00 H new ATOM 152 N LEU A 9 4.918 -2.804 -5.684 1.00 0.00 N ATOM 153 CA LEU A 9 3.554 -2.376 -5.942 1.00 0.00 C ATOM 154 C LEU A 9 3.338 -2.259 -7.453 1.00 0.00 C ATOM 155 O LEU A 9 3.890 -1.367 -8.095 1.00 0.00 O ATOM 156 CB LEU A 9 3.242 -1.089 -5.176 1.00 0.00 C ATOM 157 CG LEU A 9 2.953 -1.252 -3.682 1.00 0.00 C ATOM 158 CD1 LEU A 9 1.901 -2.336 -3.441 1.00 0.00 C ATOM 159 CD2 LEU A 9 4.241 -1.520 -2.901 1.00 0.00 C ATOM 0 H LEU A 9 5.594 -2.045 -5.597 1.00 0.00 H new ATOM 0 HA LEU A 9 2.846 -3.119 -5.574 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.085 -0.408 -5.291 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.380 -0.611 -5.643 1.00 0.00 H new ATOM 0 HG LEU A 9 2.539 -0.315 -3.310 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.715 -2.431 -2.371 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.975 -2.064 -3.948 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.262 -3.287 -3.832 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.008 -1.632 -1.842 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.706 -2.435 -3.269 1.00 0.00 H new ATOM 0 HD23 LEU A 9 4.928 -0.685 -3.035 1.00 0.00 H new ATOM 171 N TYR A 10 2.534 -3.173 -7.976 1.00 0.00 N ATOM 172 CA TYR A 10 2.239 -3.184 -9.398 1.00 0.00 C ATOM 173 C TYR A 10 1.082 -2.238 -9.725 1.00 0.00 C ATOM 174 O TYR A 10 0.015 -2.323 -9.119 1.00 0.00 O ATOM 175 CB TYR A 10 1.819 -4.617 -9.730 1.00 0.00 C ATOM 176 CG TYR A 10 1.246 -4.787 -11.139 1.00 0.00 C ATOM 177 CD1 TYR A 10 1.902 -4.239 -12.222 1.00 0.00 C ATOM 178 CD2 TYR A 10 0.072 -5.488 -11.326 1.00 0.00 C ATOM 179 CE1 TYR A 10 1.362 -4.399 -13.547 1.00 0.00 C ATOM 180 CE2 TYR A 10 -0.468 -5.648 -12.651 1.00 0.00 C ATOM 181 CZ TYR A 10 0.204 -5.095 -13.697 1.00 0.00 C ATOM 182 OH TYR A 10 -0.306 -5.246 -14.948 1.00 0.00 O ATOM 0 H TYR A 10 2.078 -3.911 -7.440 1.00 0.00 H new ATOM 0 HA TYR A 10 3.106 -2.858 -9.972 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.682 -5.273 -9.618 1.00 0.00 H new ATOM 0 HB3 TYR A 10 1.074 -4.944 -9.004 1.00 0.00 H new ATOM 0 HD1 TYR A 10 2.821 -3.690 -12.076 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.442 -5.917 -10.478 1.00 0.00 H new ATOM 0 HE1 TYR A 10 1.866 -3.975 -14.403 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.386 -6.195 -12.811 1.00 0.00 H new ATOM 0 HH TYR A 10 -1.136 -5.766 -14.903 1.00 0.00 H new ATOM 192 N CYS A 11 1.333 -1.357 -10.683 1.00 0.00 N ATOM 193 CA CYS A 11 0.326 -0.396 -11.098 1.00 0.00 C ATOM 194 C CYS A 11 -0.160 -0.782 -12.496 1.00 0.00 C ATOM 195 O CYS A 11 0.186 -0.130 -13.480 1.00 0.00 O ATOM 196 CB CYS A 11 0.861 1.037 -11.056 1.00 0.00 C ATOM 197 SG CYS A 11 -0.521 2.226 -11.218 1.00 0.00 S ATOM 0 H CYS A 11 2.219 -1.289 -11.183 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.513 -0.422 -10.403 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.391 1.209 -10.119 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.579 1.190 -11.862 1.00 0.00 H new ATOM 0 HG CYS A 11 -0.074 3.347 -11.701 1.00 0.00 H new ATOM 203 N SER A 12 -0.955 -1.842 -12.540 1.00 0.00 N ATOM 204 CA SER A 12 -1.492 -2.323 -13.801 1.00 0.00 C ATOM 205 C SER A 12 -1.853 -1.140 -14.702 1.00 0.00 C ATOM 206 O SER A 12 -1.775 -1.240 -15.925 1.00 0.00 O ATOM 207 CB SER A 12 -2.717 -3.211 -13.575 1.00 0.00 C ATOM 208 OG SER A 12 -3.276 -3.673 -14.802 1.00 0.00 O ATOM 0 H SER A 12 -1.240 -2.381 -11.722 1.00 0.00 H new ATOM 0 HA SER A 12 -0.726 -2.924 -14.291 1.00 0.00 H new ATOM 0 HB2 SER A 12 -2.436 -4.066 -12.960 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.472 -2.653 -13.020 1.00 0.00 H new ATOM 0 HG SER A 12 -4.055 -4.238 -14.615 1.00 0.00 H new ATOM 214 N ASN A 13 -2.241 -0.047 -14.061 1.00 0.00 N ATOM 215 CA ASN A 13 -2.614 1.154 -14.789 1.00 0.00 C ATOM 216 C ASN A 13 -1.646 1.360 -15.956 1.00 0.00 C ATOM 217 O ASN A 13 -2.042 1.277 -17.117 1.00 0.00 O ATOM 218 CB ASN A 13 -2.540 2.389 -13.889 1.00 0.00 C ATOM 219 CG ASN A 13 -3.332 3.553 -14.488 1.00 0.00 C ATOM 220 OD1 ASN A 13 -4.220 3.377 -15.306 1.00 0.00 O ATOM 221 ND2 ASN A 13 -2.963 4.748 -14.036 1.00 0.00 N ATOM 0 H ASN A 13 -2.305 0.032 -13.046 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.636 1.028 -15.145 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -2.933 2.148 -12.901 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.499 2.684 -13.755 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.432 5.588 -14.374 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.211 4.824 -13.351 1.00 0.00 H new ATOM 228 N GLY A 14 -0.396 1.624 -15.606 1.00 0.00 N ATOM 229 CA GLY A 14 0.632 1.843 -16.610 1.00 0.00 C ATOM 230 C GLY A 14 1.697 0.746 -16.552 1.00 0.00 C ATOM 231 O GLY A 14 2.444 0.550 -17.509 1.00 0.00 O ATOM 0 H GLY A 14 -0.071 1.691 -14.641 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.179 1.863 -17.601 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.098 2.816 -16.453 1.00 0.00 H new ATOM 235 N GLY A 15 1.732 0.059 -15.419 1.00 0.00 N ATOM 236 CA GLY A 15 2.693 -1.013 -15.224 1.00 0.00 C ATOM 237 C GLY A 15 4.035 -0.465 -14.736 1.00 0.00 C ATOM 238 O GLY A 15 5.016 -0.465 -15.477 1.00 0.00 O ATOM 0 H GLY A 15 1.110 0.224 -14.627 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.303 -1.728 -14.500 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.836 -1.553 -16.160 1.00 0.00 H new ATOM 242 N HIS A 16 4.035 -0.010 -13.491 1.00 0.00 N ATOM 243 CA HIS A 16 5.240 0.541 -12.895 1.00 0.00 C ATOM 244 C HIS A 16 5.240 0.265 -11.390 1.00 0.00 C ATOM 245 O HIS A 16 4.181 0.135 -10.779 1.00 0.00 O ATOM 246 CB HIS A 16 5.379 2.028 -13.226 1.00 0.00 C ATOM 247 CG HIS A 16 5.335 2.335 -14.704 1.00 0.00 C ATOM 248 ND1 HIS A 16 4.161 2.325 -15.437 1.00 0.00 N ATOM 249 CD2 HIS A 16 6.331 2.661 -15.577 1.00 0.00 C ATOM 250 CE1 HIS A 16 4.449 2.632 -16.693 1.00 0.00 C ATOM 251 NE2 HIS A 16 5.795 2.840 -16.778 1.00 0.00 N ATOM 0 H HIS A 16 3.219 -0.012 -12.879 1.00 0.00 H new ATOM 0 HA HIS A 16 6.117 0.051 -13.319 1.00 0.00 H new ATOM 0 HB2 HIS A 16 4.580 2.577 -12.727 1.00 0.00 H new ATOM 0 HB3 HIS A 16 6.321 2.394 -12.817 1.00 0.00 H new ATOM 0 HD2 HIS A 16 7.379 2.757 -15.332 1.00 0.00 H new ATOM 0 HE1 HIS A 16 3.743 2.705 -17.507 1.00 0.00 H new ATOM 0 HE2 HIS A 16 6.305 3.092 -17.625 1.00 0.00 H new ATOM 259 N PHE A 17 6.441 0.185 -10.836 1.00 0.00 N ATOM 260 CA PHE A 17 6.593 -0.072 -9.414 1.00 0.00 C ATOM 261 C PHE A 17 6.886 1.221 -8.651 1.00 0.00 C ATOM 262 O PHE A 17 7.613 2.084 -9.140 1.00 0.00 O ATOM 263 CB PHE A 17 7.781 -1.023 -9.256 1.00 0.00 C ATOM 264 CG PHE A 17 7.525 -2.433 -9.793 1.00 0.00 C ATOM 265 CD1 PHE A 17 6.339 -3.050 -9.544 1.00 0.00 C ATOM 266 CD2 PHE A 17 8.484 -3.069 -10.518 1.00 0.00 C ATOM 267 CE1 PHE A 17 6.102 -4.359 -10.042 1.00 0.00 C ATOM 268 CE2 PHE A 17 8.247 -4.377 -11.016 1.00 0.00 C ATOM 269 CZ PHE A 17 7.061 -4.995 -10.768 1.00 0.00 C ATOM 0 H PHE A 17 7.318 0.294 -11.346 1.00 0.00 H new ATOM 0 HA PHE A 17 5.674 -0.499 -9.013 1.00 0.00 H new ATOM 0 HB2 PHE A 17 8.643 -0.600 -9.772 1.00 0.00 H new ATOM 0 HB3 PHE A 17 8.042 -1.089 -8.200 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.578 -2.545 -8.968 1.00 0.00 H new ATOM 0 HD2 PHE A 17 9.426 -2.579 -10.715 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.160 -4.850 -9.844 1.00 0.00 H new ATOM 0 HE2 PHE A 17 9.009 -4.882 -11.592 1.00 0.00 H new ATOM 0 HZ PHE A 17 6.881 -5.990 -11.147 1.00 0.00 H new ATOM 279 N LEU A 18 6.304 1.315 -7.465 1.00 0.00 N ATOM 280 CA LEU A 18 6.493 2.489 -6.629 1.00 0.00 C ATOM 281 C LEU A 18 7.855 2.404 -5.939 1.00 0.00 C ATOM 282 O LEU A 18 8.107 1.482 -5.165 1.00 0.00 O ATOM 283 CB LEU A 18 5.321 2.650 -5.658 1.00 0.00 C ATOM 284 CG LEU A 18 5.191 4.018 -4.985 1.00 0.00 C ATOM 285 CD1 LEU A 18 4.504 5.022 -5.912 1.00 0.00 C ATOM 286 CD2 LEU A 18 4.477 3.899 -3.637 1.00 0.00 C ATOM 0 H LEU A 18 5.701 0.597 -7.062 1.00 0.00 H new ATOM 0 HA LEU A 18 6.499 3.393 -7.238 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.397 2.443 -6.198 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.412 1.892 -4.880 1.00 0.00 H new ATOM 0 HG LEU A 18 6.193 4.398 -4.786 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.424 5.986 -5.409 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.090 5.136 -6.824 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.507 4.661 -6.165 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.397 4.885 -3.179 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.479 3.488 -3.789 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.045 3.239 -2.981 1.00 0.00 H new ATOM 298 N ARG A 19 8.699 3.379 -6.245 1.00 0.00 N ATOM 299 CA ARG A 19 10.030 3.426 -5.664 1.00 0.00 C ATOM 300 C ARG A 19 10.221 4.726 -4.879 1.00 0.00 C ATOM 301 O ARG A 19 9.574 5.731 -5.169 1.00 0.00 O ATOM 302 CB ARG A 19 11.108 3.329 -6.746 1.00 0.00 C ATOM 303 CG ARG A 19 11.468 4.714 -7.287 1.00 0.00 C ATOM 304 CD ARG A 19 12.094 4.613 -8.679 1.00 0.00 C ATOM 305 NE ARG A 19 13.561 4.451 -8.564 1.00 0.00 N ATOM 306 CZ ARG A 19 14.420 4.651 -9.573 1.00 0.00 C ATOM 307 NH1 ARG A 19 13.965 5.020 -10.777 1.00 0.00 N ATOM 308 NH2 ARG A 19 15.735 4.481 -9.376 1.00 0.00 N ATOM 0 H ARG A 19 8.487 4.142 -6.888 1.00 0.00 H new ATOM 0 HA ARG A 19 10.128 2.573 -4.992 1.00 0.00 H new ATOM 0 HB2 ARG A 19 11.998 2.852 -6.336 1.00 0.00 H new ATOM 0 HB3 ARG A 19 10.755 2.697 -7.561 1.00 0.00 H new ATOM 0 HG2 ARG A 19 10.573 5.335 -7.331 1.00 0.00 H new ATOM 0 HG3 ARG A 19 12.164 5.205 -6.606 1.00 0.00 H new ATOM 0 HD2 ARG A 19 11.668 3.767 -9.218 1.00 0.00 H new ATOM 0 HD3 ARG A 19 11.863 5.508 -9.257 1.00 0.00 H new ATOM 0 HE ARG A 19 13.942 4.170 -7.661 1.00 0.00 H new ATOM 0 HH11 ARG A 19 12.964 5.149 -10.926 1.00 0.00 H new ATOM 0 HH12 ARG A 19 14.619 5.172 -11.545 1.00 0.00 H new ATOM 0 HH21 ARG A 19 16.081 4.200 -8.459 1.00 0.00 H new ATOM 0 HH22 ARG A 19 16.389 4.633 -10.143 1.00 0.00 H new ATOM 322 N ILE A 20 11.113 4.664 -3.901 1.00 0.00 N ATOM 323 CA ILE A 20 11.397 5.823 -3.073 1.00 0.00 C ATOM 324 C ILE A 20 12.897 6.121 -3.116 1.00 0.00 C ATOM 325 O ILE A 20 13.704 5.336 -2.619 1.00 0.00 O ATOM 326 CB ILE A 20 10.851 5.618 -1.658 1.00 0.00 C ATOM 327 CG1 ILE A 20 9.371 5.233 -1.692 1.00 0.00 C ATOM 328 CG2 ILE A 20 11.104 6.851 -0.789 1.00 0.00 C ATOM 329 CD1 ILE A 20 8.813 5.075 -0.276 1.00 0.00 C ATOM 0 H ILE A 20 11.648 3.829 -3.664 1.00 0.00 H new ATOM 0 HA ILE A 20 10.886 6.703 -3.463 1.00 0.00 H new ATOM 0 HB ILE A 20 11.389 4.787 -1.201 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.805 5.996 -2.227 1.00 0.00 H new ATOM 0 HG13 ILE A 20 9.247 4.300 -2.242 1.00 0.00 H new ATOM 0 HG21 ILE A 20 10.706 6.679 0.211 1.00 0.00 H new ATOM 0 HG22 ILE A 20 12.176 7.038 -0.726 1.00 0.00 H new ATOM 0 HG23 ILE A 20 10.610 7.716 -1.232 1.00 0.00 H new ATOM 0 HD11 ILE A 20 7.759 4.801 -0.329 1.00 0.00 H new ATOM 0 HD12 ILE A 20 9.365 4.295 0.248 1.00 0.00 H new ATOM 0 HD13 ILE A 20 8.917 6.017 0.263 1.00 0.00 H new ATOM 341 N LEU A 21 13.226 7.255 -3.716 1.00 0.00 N ATOM 342 CA LEU A 21 14.615 7.666 -3.831 1.00 0.00 C ATOM 343 C LEU A 21 15.082 8.249 -2.496 1.00 0.00 C ATOM 344 O LEU A 21 14.266 8.691 -1.688 1.00 0.00 O ATOM 345 CB LEU A 21 14.796 8.618 -5.015 1.00 0.00 C ATOM 346 CG LEU A 21 14.166 8.172 -6.336 1.00 0.00 C ATOM 347 CD1 LEU A 21 14.277 9.271 -7.395 1.00 0.00 C ATOM 348 CD2 LEU A 21 14.772 6.852 -6.815 1.00 0.00 C ATOM 0 H LEU A 21 12.554 7.903 -4.128 1.00 0.00 H new ATOM 0 HA LEU A 21 15.250 6.806 -4.043 1.00 0.00 H new ATOM 0 HB2 LEU A 21 14.377 9.587 -4.744 1.00 0.00 H new ATOM 0 HB3 LEU A 21 15.864 8.767 -5.176 1.00 0.00 H new ATOM 0 HG LEU A 21 13.104 7.995 -6.165 1.00 0.00 H new ATOM 0 HD11 LEU A 21 13.822 8.928 -8.324 1.00 0.00 H new ATOM 0 HD12 LEU A 21 13.761 10.166 -7.046 1.00 0.00 H new ATOM 0 HD13 LEU A 21 15.328 9.503 -7.570 1.00 0.00 H new ATOM 0 HD21 LEU A 21 14.306 6.558 -7.756 1.00 0.00 H new ATOM 0 HD22 LEU A 21 15.844 6.977 -6.964 1.00 0.00 H new ATOM 0 HD23 LEU A 21 14.598 6.079 -6.067 1.00 0.00 H new ATOM 360 N PRO A 22 16.428 8.231 -2.301 1.00 0.00 N ATOM 361 CA PRO A 22 17.013 8.753 -1.077 1.00 0.00 C ATOM 362 C PRO A 22 16.998 10.283 -1.071 1.00 0.00 C ATOM 363 O PRO A 22 17.306 10.907 -0.057 1.00 0.00 O ATOM 364 CB PRO A 22 18.417 8.173 -1.035 1.00 0.00 C ATOM 365 CG PRO A 22 18.728 7.729 -2.455 1.00 0.00 C ATOM 366 CD PRO A 22 17.424 7.716 -3.235 1.00 0.00 C ATOM 0 HA PRO A 22 16.451 8.468 -0.187 1.00 0.00 H new ATOM 0 HB2 PRO A 22 19.136 8.917 -0.692 1.00 0.00 H new ATOM 0 HB3 PRO A 22 18.472 7.333 -0.342 1.00 0.00 H new ATOM 0 HG2 PRO A 22 19.444 8.408 -2.919 1.00 0.00 H new ATOM 0 HG3 PRO A 22 19.182 6.738 -2.454 1.00 0.00 H new ATOM 0 HD2 PRO A 22 17.490 8.339 -4.127 1.00 0.00 H new ATOM 0 HD3 PRO A 22 17.172 6.709 -3.568 1.00 0.00 H new ATOM 374 N ASP A 23 16.635 10.844 -2.216 1.00 0.00 N ATOM 375 CA ASP A 23 16.575 12.289 -2.355 1.00 0.00 C ATOM 376 C ASP A 23 15.172 12.775 -1.987 1.00 0.00 C ATOM 377 O ASP A 23 14.848 13.947 -2.175 1.00 0.00 O ATOM 378 CB ASP A 23 16.860 12.716 -3.796 1.00 0.00 C ATOM 379 CG ASP A 23 17.002 14.224 -4.008 1.00 0.00 C ATOM 380 OD1 ASP A 23 17.610 14.867 -3.125 1.00 0.00 O ATOM 381 OD2 ASP A 23 16.499 14.701 -5.049 1.00 0.00 O ATOM 0 H ASP A 23 16.380 10.324 -3.055 1.00 0.00 H new ATOM 0 HA ASP A 23 17.326 12.722 -1.695 1.00 0.00 H new ATOM 0 HB2 ASP A 23 17.777 12.230 -4.128 1.00 0.00 H new ATOM 0 HB3 ASP A 23 16.056 12.349 -4.433 1.00 0.00 H new ATOM 386 N GLY A 24 14.377 11.850 -1.469 1.00 0.00 N ATOM 387 CA GLY A 24 13.016 12.170 -1.073 1.00 0.00 C ATOM 388 C GLY A 24 12.109 12.318 -2.296 1.00 0.00 C ATOM 389 O GLY A 24 11.296 13.238 -2.362 1.00 0.00 O ATOM 0 H GLY A 24 14.649 10.879 -1.314 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.629 11.386 -0.422 1.00 0.00 H new ATOM 0 HA3 GLY A 24 13.009 13.095 -0.497 1.00 0.00 H new ATOM 393 N THR A 25 12.280 11.398 -3.235 1.00 0.00 N ATOM 394 CA THR A 25 11.488 11.415 -4.452 1.00 0.00 C ATOM 395 C THR A 25 10.743 10.090 -4.622 1.00 0.00 C ATOM 396 O THR A 25 11.238 9.039 -4.217 1.00 0.00 O ATOM 397 CB THR A 25 12.421 11.742 -5.620 1.00 0.00 C ATOM 398 OG1 THR A 25 12.663 13.140 -5.490 1.00 0.00 O ATOM 399 CG2 THR A 25 11.729 11.608 -6.978 1.00 0.00 C ATOM 0 H THR A 25 12.956 10.636 -3.177 1.00 0.00 H new ATOM 0 HA THR A 25 10.716 12.183 -4.410 1.00 0.00 H new ATOM 0 HB THR A 25 13.288 11.082 -5.588 1.00 0.00 H new ATOM 0 HG1 THR A 25 13.261 13.437 -6.207 1.00 0.00 H new ATOM 0 HG21 THR A 25 12.435 11.851 -7.772 1.00 0.00 H new ATOM 0 HG22 THR A 25 11.376 10.585 -7.107 1.00 0.00 H new ATOM 0 HG23 THR A 25 10.882 12.292 -7.024 1.00 0.00 H new ATOM 407 N VAL A 26 9.565 10.182 -5.223 1.00 0.00 N ATOM 408 CA VAL A 26 8.748 9.003 -5.452 1.00 0.00 C ATOM 409 C VAL A 26 8.279 8.987 -6.908 1.00 0.00 C ATOM 410 O VAL A 26 7.572 9.893 -7.347 1.00 0.00 O ATOM 411 CB VAL A 26 7.590 8.967 -4.451 1.00 0.00 C ATOM 412 CG1 VAL A 26 6.968 7.571 -4.383 1.00 0.00 C ATOM 413 CG2 VAL A 26 8.047 9.432 -3.067 1.00 0.00 C ATOM 0 H VAL A 26 9.158 11.055 -5.558 1.00 0.00 H new ATOM 0 HA VAL A 26 9.331 8.097 -5.288 1.00 0.00 H new ATOM 0 HB VAL A 26 6.823 9.659 -4.800 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.148 7.573 -3.665 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.589 7.293 -5.366 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.724 6.851 -4.069 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.205 9.397 -2.375 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.840 8.777 -2.707 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.421 10.454 -3.132 1.00 0.00 H new ATOM 423 N ASP A 27 8.693 7.947 -7.618 1.00 0.00 N ATOM 424 CA ASP A 27 8.324 7.801 -9.016 1.00 0.00 C ATOM 425 C ASP A 27 8.193 6.315 -9.352 1.00 0.00 C ATOM 426 O ASP A 27 8.723 5.464 -8.638 1.00 0.00 O ATOM 427 CB ASP A 27 9.393 8.401 -9.932 1.00 0.00 C ATOM 428 CG ASP A 27 10.367 9.361 -9.247 1.00 0.00 C ATOM 429 OD1 ASP A 27 9.915 10.472 -8.894 1.00 0.00 O ATOM 430 OD2 ASP A 27 11.542 8.964 -9.093 1.00 0.00 O ATOM 0 H ASP A 27 9.280 7.198 -7.251 1.00 0.00 H new ATOM 0 HA ASP A 27 7.380 8.323 -9.172 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.963 7.588 -10.381 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.897 8.930 -10.746 1.00 0.00 H new ATOM 435 N GLY A 28 7.485 6.046 -10.439 1.00 0.00 N ATOM 436 CA GLY A 28 7.278 4.677 -10.878 1.00 0.00 C ATOM 437 C GLY A 28 8.472 4.176 -11.693 1.00 0.00 C ATOM 438 O GLY A 28 9.204 4.971 -12.281 1.00 0.00 O ATOM 0 H GLY A 28 7.047 6.754 -11.029 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.128 4.032 -10.012 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.371 4.618 -11.480 1.00 0.00 H new ATOM 442 N THR A 29 8.631 2.861 -11.703 1.00 0.00 N ATOM 443 CA THR A 29 9.724 2.245 -12.436 1.00 0.00 C ATOM 444 C THR A 29 9.431 0.763 -12.684 1.00 0.00 C ATOM 445 O THR A 29 8.843 0.093 -11.837 1.00 0.00 O ATOM 446 CB THR A 29 11.015 2.486 -11.653 1.00 0.00 C ATOM 447 OG1 THR A 29 12.040 2.414 -12.640 1.00 0.00 O ATOM 448 CG2 THR A 29 11.341 1.340 -10.693 1.00 0.00 C ATOM 0 H THR A 29 8.021 2.205 -11.215 1.00 0.00 H new ATOM 0 HA THR A 29 9.839 2.692 -13.424 1.00 0.00 H new ATOM 0 HB THR A 29 10.929 3.416 -11.092 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.912 2.561 -12.217 1.00 0.00 H new ATOM 0 HG21 THR A 29 12.267 1.562 -10.162 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.530 1.225 -9.974 1.00 0.00 H new ATOM 0 HG23 THR A 29 11.459 0.415 -11.257 1.00 0.00 H new ATOM 456 N ARG A 30 9.856 0.296 -13.848 1.00 0.00 N ATOM 457 CA ARG A 30 9.647 -1.094 -14.218 1.00 0.00 C ATOM 458 C ARG A 30 10.979 -1.752 -14.584 1.00 0.00 C ATOM 459 O ARG A 30 11.002 -2.843 -15.151 1.00 0.00 O ATOM 460 CB ARG A 30 8.686 -1.210 -15.403 1.00 0.00 C ATOM 461 CG ARG A 30 9.437 -1.103 -16.731 1.00 0.00 C ATOM 462 CD ARG A 30 8.476 -0.795 -17.881 1.00 0.00 C ATOM 463 NE ARG A 30 9.235 -0.607 -19.138 1.00 0.00 N ATOM 464 CZ ARG A 30 9.874 0.524 -19.468 1.00 0.00 C ATOM 465 NH1 ARG A 30 9.850 1.574 -18.636 1.00 0.00 N ATOM 466 NH2 ARG A 30 10.537 0.604 -20.629 1.00 0.00 N ATOM 0 H ARG A 30 10.344 0.855 -14.548 1.00 0.00 H new ATOM 0 HA ARG A 30 9.210 -1.604 -13.359 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.158 -2.162 -15.356 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.933 -0.425 -15.343 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.192 -0.320 -16.664 1.00 0.00 H new ATOM 0 HG3 ARG A 30 9.963 -2.036 -16.932 1.00 0.00 H new ATOM 0 HD2 ARG A 30 7.761 -1.610 -17.997 1.00 0.00 H new ATOM 0 HD3 ARG A 30 7.902 0.104 -17.655 1.00 0.00 H new ATOM 0 HE ARG A 30 9.274 -1.387 -19.794 1.00 0.00 H new ATOM 0 HH11 ARG A 30 9.346 1.513 -17.752 1.00 0.00 H new ATOM 0 HH12 ARG A 30 10.336 2.435 -18.887 1.00 0.00 H new ATOM 0 HH21 ARG A 30 10.556 -0.196 -21.262 1.00 0.00 H new ATOM 0 HH22 ARG A 30 11.023 1.465 -20.880 1.00 0.00 H new ATOM 480 N ASP A 31 12.057 -1.060 -14.245 1.00 0.00 N ATOM 481 CA ASP A 31 13.390 -1.563 -14.531 1.00 0.00 C ATOM 482 C ASP A 31 13.669 -2.785 -13.653 1.00 0.00 C ATOM 483 O ASP A 31 14.532 -3.600 -13.974 1.00 0.00 O ATOM 484 CB ASP A 31 14.455 -0.508 -14.225 1.00 0.00 C ATOM 485 CG ASP A 31 15.590 -0.419 -15.247 1.00 0.00 C ATOM 486 OD1 ASP A 31 15.366 -0.884 -16.386 1.00 0.00 O ATOM 487 OD2 ASP A 31 16.656 0.112 -14.867 1.00 0.00 O ATOM 0 H ASP A 31 12.034 -0.155 -13.775 1.00 0.00 H new ATOM 0 HA ASP A 31 13.432 -1.822 -15.589 1.00 0.00 H new ATOM 0 HB2 ASP A 31 13.971 0.466 -14.157 1.00 0.00 H new ATOM 0 HB3 ASP A 31 14.884 -0.720 -13.246 1.00 0.00 H new ATOM 492 N ARG A 32 12.921 -2.872 -12.563 1.00 0.00 N ATOM 493 CA ARG A 32 13.077 -3.981 -11.636 1.00 0.00 C ATOM 494 C ARG A 32 14.449 -3.920 -10.961 1.00 0.00 C ATOM 495 O ARG A 32 14.540 -3.798 -9.741 1.00 0.00 O ATOM 496 CB ARG A 32 12.928 -5.324 -12.353 1.00 0.00 C ATOM 497 CG ARG A 32 11.494 -5.845 -12.249 1.00 0.00 C ATOM 498 CD ARG A 32 11.476 -7.344 -11.941 1.00 0.00 C ATOM 499 NE ARG A 32 12.072 -8.098 -13.066 1.00 0.00 N ATOM 500 CZ ARG A 32 12.172 -9.434 -13.106 1.00 0.00 C ATOM 501 NH1 ARG A 32 11.716 -10.170 -12.083 1.00 0.00 N ATOM 502 NH2 ARG A 32 12.728 -10.034 -14.167 1.00 0.00 N ATOM 0 H ARG A 32 12.206 -2.194 -12.301 1.00 0.00 H new ATOM 0 HA ARG A 32 12.294 -3.896 -10.883 1.00 0.00 H new ATOM 0 HB2 ARG A 32 13.203 -5.213 -13.402 1.00 0.00 H new ATOM 0 HB3 ARG A 32 13.615 -6.050 -11.919 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.962 -5.303 -11.467 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.966 -5.656 -13.184 1.00 0.00 H new ATOM 0 HD2 ARG A 32 12.032 -7.542 -11.024 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.452 -7.677 -11.771 1.00 0.00 H new ATOM 0 HE ARG A 32 12.429 -7.568 -13.861 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.293 -9.713 -11.275 1.00 0.00 H new ATOM 0 HH12 ARG A 32 11.792 -11.187 -12.113 1.00 0.00 H new ATOM 0 HH21 ARG A 32 13.076 -9.474 -14.945 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.804 -11.051 -14.196 1.00 0.00 H new ATOM 516 N SER A 33 15.483 -4.007 -11.786 1.00 0.00 N ATOM 517 CA SER A 33 16.846 -3.963 -11.284 1.00 0.00 C ATOM 518 C SER A 33 16.951 -2.950 -10.142 1.00 0.00 C ATOM 519 O SER A 33 17.769 -3.111 -9.239 1.00 0.00 O ATOM 520 CB SER A 33 17.832 -3.610 -12.400 1.00 0.00 C ATOM 521 OG SER A 33 19.052 -4.337 -12.283 1.00 0.00 O ATOM 0 H SER A 33 15.404 -4.108 -12.798 1.00 0.00 H new ATOM 0 HA SER A 33 17.104 -4.953 -10.907 1.00 0.00 H new ATOM 0 HB2 SER A 33 17.376 -3.821 -13.367 1.00 0.00 H new ATOM 0 HB3 SER A 33 18.043 -2.541 -12.373 1.00 0.00 H new ATOM 0 HG SER A 33 19.654 -4.085 -13.014 1.00 0.00 H new ATOM 527 N ASP A 34 16.111 -1.929 -10.221 1.00 0.00 N ATOM 528 CA ASP A 34 16.099 -0.890 -9.205 1.00 0.00 C ATOM 529 C ASP A 34 16.202 -1.534 -7.821 1.00 0.00 C ATOM 530 O ASP A 34 15.347 -2.331 -7.438 1.00 0.00 O ATOM 531 CB ASP A 34 14.799 -0.085 -9.256 1.00 0.00 C ATOM 532 CG ASP A 34 14.981 1.433 -9.330 1.00 0.00 C ATOM 533 OD1 ASP A 34 15.245 1.919 -10.451 1.00 0.00 O ATOM 534 OD2 ASP A 34 14.852 2.072 -8.264 1.00 0.00 O ATOM 0 H ASP A 34 15.434 -1.799 -10.973 1.00 0.00 H new ATOM 0 HA ASP A 34 16.943 -0.226 -9.393 1.00 0.00 H new ATOM 0 HB2 ASP A 34 14.222 -0.409 -10.122 1.00 0.00 H new ATOM 0 HB3 ASP A 34 14.207 -0.322 -8.372 1.00 0.00 H new ATOM 539 N GLN A 35 17.257 -1.166 -7.109 1.00 0.00 N ATOM 540 CA GLN A 35 17.484 -1.699 -5.776 1.00 0.00 C ATOM 541 C GLN A 35 16.872 -0.772 -4.724 1.00 0.00 C ATOM 542 O GLN A 35 17.473 -0.531 -3.678 1.00 0.00 O ATOM 543 CB GLN A 35 18.976 -1.912 -5.517 1.00 0.00 C ATOM 544 CG GLN A 35 19.571 -2.900 -6.522 1.00 0.00 C ATOM 545 CD GLN A 35 19.536 -4.328 -5.974 1.00 0.00 C ATOM 546 OE1 GLN A 35 18.581 -5.066 -6.153 1.00 0.00 O ATOM 547 NE2 GLN A 35 20.627 -4.675 -5.297 1.00 0.00 N ATOM 0 H GLN A 35 17.964 -0.505 -7.430 1.00 0.00 H new ATOM 0 HA GLN A 35 16.995 -2.671 -5.706 1.00 0.00 H new ATOM 0 HB2 GLN A 35 19.500 -0.959 -5.585 1.00 0.00 H new ATOM 0 HB3 GLN A 35 19.123 -2.285 -4.504 1.00 0.00 H new ATOM 0 HG2 GLN A 35 19.014 -2.852 -7.458 1.00 0.00 H new ATOM 0 HG3 GLN A 35 20.599 -2.619 -6.748 1.00 0.00 H new ATOM 0 HE21 GLN A 35 21.391 -4.008 -5.184 1.00 0.00 H new ATOM 0 HE22 GLN A 35 20.700 -5.608 -4.891 1.00 0.00 H new ATOM 556 N HIS A 36 15.683 -0.277 -5.037 1.00 0.00 N ATOM 557 CA HIS A 36 14.983 0.617 -4.131 1.00 0.00 C ATOM 558 C HIS A 36 13.491 0.279 -4.127 1.00 0.00 C ATOM 559 O HIS A 36 12.876 0.176 -3.066 1.00 0.00 O ATOM 560 CB HIS A 36 15.259 2.079 -4.490 1.00 0.00 C ATOM 561 CG HIS A 36 16.626 2.318 -5.084 1.00 0.00 C ATOM 562 ND1 HIS A 36 17.103 1.612 -6.175 1.00 0.00 N ATOM 563 CD2 HIS A 36 17.612 3.191 -4.730 1.00 0.00 C ATOM 564 CE1 HIS A 36 18.322 2.048 -6.456 1.00 0.00 C ATOM 565 NE2 HIS A 36 18.636 3.026 -5.558 1.00 0.00 N ATOM 0 H HIS A 36 15.187 -0.478 -5.905 1.00 0.00 H new ATOM 0 HA HIS A 36 15.354 0.476 -3.116 1.00 0.00 H new ATOM 0 HB2 HIS A 36 14.502 2.418 -5.198 1.00 0.00 H new ATOM 0 HB3 HIS A 36 15.152 2.689 -3.593 1.00 0.00 H new ATOM 0 HD2 HIS A 36 17.567 3.897 -3.914 1.00 0.00 H new ATOM 0 HE1 HIS A 36 18.955 1.692 -7.255 1.00 0.00 H new ATOM 0 HE2 HIS A 36 19.514 3.545 -5.528 1.00 0.00 H new ATOM 573 N ILE A 37 12.950 0.116 -5.326 1.00 0.00 N ATOM 574 CA ILE A 37 11.542 -0.208 -5.474 1.00 0.00 C ATOM 575 C ILE A 37 11.135 -1.205 -4.387 1.00 0.00 C ATOM 576 O ILE A 37 10.000 -1.184 -3.914 1.00 0.00 O ATOM 577 CB ILE A 37 11.251 -0.695 -6.895 1.00 0.00 C ATOM 578 CG1 ILE A 37 12.077 -1.938 -7.229 1.00 0.00 C ATOM 579 CG2 ILE A 37 11.466 0.426 -7.914 1.00 0.00 C ATOM 580 CD1 ILE A 37 11.797 -2.418 -8.654 1.00 0.00 C ATOM 0 H ILE A 37 13.462 0.202 -6.204 1.00 0.00 H new ATOM 0 HA ILE A 37 10.930 0.683 -5.335 1.00 0.00 H new ATOM 0 HB ILE A 37 10.201 -0.982 -6.948 1.00 0.00 H new ATOM 0 HG12 ILE A 37 13.138 -1.714 -7.119 1.00 0.00 H new ATOM 0 HG13 ILE A 37 11.845 -2.734 -6.521 1.00 0.00 H new ATOM 0 HG21 ILE A 37 11.252 0.053 -8.916 1.00 0.00 H new ATOM 0 HG22 ILE A 37 10.799 1.257 -7.686 1.00 0.00 H new ATOM 0 HG23 ILE A 37 12.500 0.767 -7.867 1.00 0.00 H new ATOM 0 HD11 ILE A 37 12.398 -3.303 -8.864 1.00 0.00 H new ATOM 0 HD12 ILE A 37 10.740 -2.665 -8.754 1.00 0.00 H new ATOM 0 HD13 ILE A 37 12.054 -1.629 -9.361 1.00 0.00 H new ATOM 592 N GLN A 38 12.084 -2.055 -4.023 1.00 0.00 N ATOM 593 CA GLN A 38 11.839 -3.058 -3.001 1.00 0.00 C ATOM 594 C GLN A 38 11.325 -2.396 -1.721 1.00 0.00 C ATOM 595 O GLN A 38 12.109 -2.050 -0.839 1.00 0.00 O ATOM 596 CB GLN A 38 13.100 -3.879 -2.725 1.00 0.00 C ATOM 597 CG GLN A 38 13.306 -4.945 -3.803 1.00 0.00 C ATOM 598 CD GLN A 38 14.642 -5.666 -3.613 1.00 0.00 C ATOM 599 OE1 GLN A 38 15.707 -5.072 -3.642 1.00 0.00 O ATOM 600 NE2 GLN A 38 14.527 -6.977 -3.416 1.00 0.00 N ATOM 0 H GLN A 38 13.024 -2.070 -4.418 1.00 0.00 H new ATOM 0 HA GLN A 38 11.073 -3.742 -3.367 1.00 0.00 H new ATOM 0 HB2 GLN A 38 13.967 -3.220 -2.690 1.00 0.00 H new ATOM 0 HB3 GLN A 38 13.022 -4.355 -1.748 1.00 0.00 H new ATOM 0 HG2 GLN A 38 12.490 -5.667 -3.766 1.00 0.00 H new ATOM 0 HG3 GLN A 38 13.276 -4.481 -4.789 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.604 -7.412 -3.403 1.00 0.00 H new ATOM 0 HE22 GLN A 38 15.361 -7.547 -3.278 1.00 0.00 H new ATOM 609 N LEU A 39 10.011 -2.240 -1.660 1.00 0.00 N ATOM 610 CA LEU A 39 9.383 -1.626 -0.502 1.00 0.00 C ATOM 611 C LEU A 39 8.841 -2.720 0.419 1.00 0.00 C ATOM 612 O LEU A 39 8.412 -3.774 -0.048 1.00 0.00 O ATOM 613 CB LEU A 39 8.325 -0.612 -0.942 1.00 0.00 C ATOM 614 CG LEU A 39 8.852 0.668 -1.593 1.00 0.00 C ATOM 615 CD1 LEU A 39 7.706 1.627 -1.924 1.00 0.00 C ATOM 616 CD2 LEU A 39 9.918 1.330 -0.718 1.00 0.00 C ATOM 0 H LEU A 39 9.364 -2.528 -2.394 1.00 0.00 H new ATOM 0 HA LEU A 39 10.115 -1.059 0.073 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.651 -1.102 -1.644 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.731 -0.335 -0.071 1.00 0.00 H new ATOM 0 HG LEU A 39 9.330 0.400 -2.535 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.108 2.529 -2.386 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.015 1.143 -2.614 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.178 1.893 -1.008 1.00 0.00 H new ATOM 0 HD21 LEU A 39 10.276 2.238 -1.204 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.488 1.583 0.251 1.00 0.00 H new ATOM 0 HD23 LEU A 39 10.751 0.642 -0.576 1.00 0.00 H new ATOM 628 N GLN A 40 8.878 -2.433 1.712 1.00 0.00 N ATOM 629 CA GLN A 40 8.396 -3.379 2.703 1.00 0.00 C ATOM 630 C GLN A 40 7.052 -2.916 3.270 1.00 0.00 C ATOM 631 O GLN A 40 6.967 -1.855 3.887 1.00 0.00 O ATOM 632 CB GLN A 40 9.423 -3.576 3.819 1.00 0.00 C ATOM 633 CG GLN A 40 10.065 -4.963 3.736 1.00 0.00 C ATOM 634 CD GLN A 40 9.590 -5.856 4.884 1.00 0.00 C ATOM 635 OE1 GLN A 40 8.422 -6.188 5.004 1.00 0.00 O ATOM 636 NE2 GLN A 40 10.557 -6.224 5.719 1.00 0.00 N ATOM 0 H GLN A 40 9.235 -1.558 2.096 1.00 0.00 H new ATOM 0 HA GLN A 40 8.250 -4.343 2.215 1.00 0.00 H new ATOM 0 HB2 GLN A 40 10.195 -2.809 3.747 1.00 0.00 H new ATOM 0 HB3 GLN A 40 8.940 -3.452 4.788 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.815 -5.427 2.782 1.00 0.00 H new ATOM 0 HG3 GLN A 40 11.150 -4.868 3.769 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.515 -5.910 5.560 1.00 0.00 H new ATOM 0 HE22 GLN A 40 10.341 -6.820 6.518 1.00 0.00 H new ATOM 645 N LEU A 41 6.036 -3.735 3.041 1.00 0.00 N ATOM 646 CA LEU A 41 4.700 -3.422 3.521 1.00 0.00 C ATOM 647 C LEU A 41 4.513 -4.018 4.918 1.00 0.00 C ATOM 648 O LEU A 41 4.894 -5.162 5.165 1.00 0.00 O ATOM 649 CB LEU A 41 3.647 -3.879 2.511 1.00 0.00 C ATOM 650 CG LEU A 41 3.341 -2.904 1.372 1.00 0.00 C ATOM 651 CD1 LEU A 41 3.780 -3.480 0.024 1.00 0.00 C ATOM 652 CD2 LEU A 41 1.864 -2.507 1.372 1.00 0.00 C ATOM 0 H LEU A 41 6.111 -4.614 2.530 1.00 0.00 H new ATOM 0 HA LEU A 41 4.571 -2.344 3.614 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.975 -4.823 2.076 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.720 -4.081 3.048 1.00 0.00 H new ATOM 0 HG LEU A 41 3.919 -1.994 1.537 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.551 -2.767 -0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.853 -3.670 0.042 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.249 -4.413 -0.163 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.674 -1.814 0.553 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.248 -3.397 1.245 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.616 -2.027 2.319 1.00 0.00 H new ATOM 664 N SER A 42 3.925 -3.217 5.795 1.00 0.00 N ATOM 665 CA SER A 42 3.683 -3.652 7.160 1.00 0.00 C ATOM 666 C SER A 42 2.266 -3.263 7.588 1.00 0.00 C ATOM 667 O SER A 42 1.650 -2.386 6.985 1.00 0.00 O ATOM 668 CB SER A 42 4.712 -3.051 8.120 1.00 0.00 C ATOM 669 OG SER A 42 6.033 -3.111 7.591 1.00 0.00 O ATOM 0 H SER A 42 3.609 -2.270 5.587 1.00 0.00 H new ATOM 0 HA SER A 42 3.783 -4.737 7.197 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.451 -2.013 8.328 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.677 -3.585 9.070 1.00 0.00 H new ATOM 0 HG SER A 42 6.660 -2.716 8.232 1.00 0.00 H new ATOM 675 N ALA A 43 1.792 -3.934 8.627 1.00 0.00 N ATOM 676 CA ALA A 43 0.459 -3.670 9.144 1.00 0.00 C ATOM 677 C ALA A 43 0.555 -3.308 10.627 1.00 0.00 C ATOM 678 O ALA A 43 1.137 -4.052 11.415 1.00 0.00 O ATOM 679 CB ALA A 43 -0.435 -4.887 8.897 1.00 0.00 C ATOM 0 H ALA A 43 2.307 -4.660 9.125 1.00 0.00 H new ATOM 0 HA ALA A 43 0.007 -2.824 8.627 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.434 -4.689 9.285 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.493 -5.084 7.827 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.015 -5.756 9.404 1.00 0.00 H new ATOM 685 N GLU A 44 -0.026 -2.166 10.964 1.00 0.00 N ATOM 686 CA GLU A 44 -0.013 -1.696 12.339 1.00 0.00 C ATOM 687 C GLU A 44 -1.417 -1.784 12.942 1.00 0.00 C ATOM 688 O GLU A 44 -1.586 -2.265 14.061 1.00 0.00 O ATOM 689 CB GLU A 44 0.533 -0.270 12.426 1.00 0.00 C ATOM 690 CG GLU A 44 -0.219 0.541 13.483 1.00 0.00 C ATOM 691 CD GLU A 44 0.495 1.864 13.770 1.00 0.00 C ATOM 692 OE1 GLU A 44 1.706 1.800 14.076 1.00 0.00 O ATOM 693 OE2 GLU A 44 -0.185 2.908 13.677 1.00 0.00 O ATOM 0 H GLU A 44 -0.509 -1.552 10.308 1.00 0.00 H new ATOM 0 HA GLU A 44 0.651 -2.339 12.917 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.595 -0.298 12.671 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.442 0.218 11.456 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.235 0.739 13.140 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.300 -0.039 14.402 1.00 0.00 H new ATOM 700 N SER A 45 -2.387 -1.311 12.174 1.00 0.00 N ATOM 701 CA SER A 45 -3.770 -1.330 12.618 1.00 0.00 C ATOM 702 C SER A 45 -4.643 -2.040 11.582 1.00 0.00 C ATOM 703 O SER A 45 -4.216 -2.258 10.449 1.00 0.00 O ATOM 704 CB SER A 45 -4.288 0.088 12.866 1.00 0.00 C ATOM 705 OG SER A 45 -3.307 1.076 12.562 1.00 0.00 O ATOM 0 H SER A 45 -2.242 -0.912 11.246 1.00 0.00 H new ATOM 0 HA SER A 45 -3.819 -1.876 13.560 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.177 0.261 12.259 1.00 0.00 H new ATOM 0 HB3 SER A 45 -4.590 0.186 13.909 1.00 0.00 H new ATOM 0 HG SER A 45 -3.708 1.968 12.633 1.00 0.00 H new ATOM 711 N VAL A 46 -5.851 -2.383 12.007 1.00 0.00 N ATOM 712 CA VAL A 46 -6.788 -3.064 11.130 1.00 0.00 C ATOM 713 C VAL A 46 -7.144 -2.146 9.959 1.00 0.00 C ATOM 714 O VAL A 46 -7.642 -1.039 10.162 1.00 0.00 O ATOM 715 CB VAL A 46 -8.012 -3.520 11.926 1.00 0.00 C ATOM 716 CG1 VAL A 46 -8.622 -2.356 12.709 1.00 0.00 C ATOM 717 CG2 VAL A 46 -9.052 -4.168 11.009 1.00 0.00 C ATOM 0 H VAL A 46 -6.202 -2.202 12.947 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.335 -3.963 10.712 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.683 -4.271 12.644 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -9.490 -2.708 13.266 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.882 -1.957 13.404 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.928 -1.572 12.016 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -9.912 -4.483 11.600 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.373 -3.448 10.257 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -8.613 -5.035 10.516 1.00 0.00 H new ATOM 727 N GLY A 47 -6.875 -2.638 8.759 1.00 0.00 N ATOM 728 CA GLY A 47 -7.160 -1.876 7.556 1.00 0.00 C ATOM 729 C GLY A 47 -6.076 -0.827 7.301 1.00 0.00 C ATOM 730 O GLY A 47 -6.204 -0.004 6.395 1.00 0.00 O ATOM 0 H GLY A 47 -6.462 -3.556 8.594 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.227 -2.550 6.702 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.129 -1.386 7.652 1.00 0.00 H new ATOM 734 N GLU A 48 -5.033 -0.890 8.116 1.00 0.00 N ATOM 735 CA GLU A 48 -3.928 0.044 7.990 1.00 0.00 C ATOM 736 C GLU A 48 -2.645 -0.699 7.612 1.00 0.00 C ATOM 737 O GLU A 48 -2.408 -1.813 8.078 1.00 0.00 O ATOM 738 CB GLU A 48 -3.737 0.845 9.280 1.00 0.00 C ATOM 739 CG GLU A 48 -5.040 1.532 9.696 1.00 0.00 C ATOM 740 CD GLU A 48 -4.758 2.789 10.522 1.00 0.00 C ATOM 741 OE1 GLU A 48 -4.419 3.815 9.895 1.00 0.00 O ATOM 742 OE2 GLU A 48 -4.887 2.694 11.761 1.00 0.00 O ATOM 0 H GLU A 48 -4.930 -1.574 8.866 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.164 0.750 7.194 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.400 0.183 10.077 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.957 1.593 9.136 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.615 1.797 8.809 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.651 0.840 10.277 1.00 0.00 H new ATOM 749 N VAL A 49 -1.850 -0.054 6.771 1.00 0.00 N ATOM 750 CA VAL A 49 -0.598 -0.640 6.326 1.00 0.00 C ATOM 751 C VAL A 49 0.470 0.453 6.241 1.00 0.00 C ATOM 752 O VAL A 49 0.149 1.628 6.075 1.00 0.00 O ATOM 753 CB VAL A 49 -0.807 -1.376 5.000 1.00 0.00 C ATOM 754 CG1 VAL A 49 -1.874 -2.463 5.139 1.00 0.00 C ATOM 755 CG2 VAL A 49 -1.164 -0.397 3.880 1.00 0.00 C ATOM 0 H VAL A 49 -2.049 0.869 6.386 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.247 -1.382 7.043 1.00 0.00 H new ATOM 0 HB VAL A 49 0.132 -1.861 4.734 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.003 -2.970 4.183 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.562 -3.185 5.894 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.819 -2.009 5.439 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.307 -0.946 2.949 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -2.084 0.129 4.136 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.356 0.324 3.756 1.00 0.00 H new ATOM 765 N TYR A 50 1.719 0.026 6.359 1.00 0.00 N ATOM 766 CA TYR A 50 2.836 0.953 6.298 1.00 0.00 C ATOM 767 C TYR A 50 3.825 0.548 5.203 1.00 0.00 C ATOM 768 O TYR A 50 4.183 -0.622 5.087 1.00 0.00 O ATOM 769 CB TYR A 50 3.533 0.863 7.657 1.00 0.00 C ATOM 770 CG TYR A 50 3.080 1.926 8.660 1.00 0.00 C ATOM 771 CD1 TYR A 50 3.110 3.261 8.312 1.00 0.00 C ATOM 772 CD2 TYR A 50 2.642 1.550 9.914 1.00 0.00 C ATOM 773 CE1 TYR A 50 2.684 4.261 9.256 1.00 0.00 C ATOM 774 CE2 TYR A 50 2.216 2.550 10.858 1.00 0.00 C ATOM 775 CZ TYR A 50 2.258 3.856 10.482 1.00 0.00 C ATOM 776 OH TYR A 50 1.856 4.801 11.374 1.00 0.00 O ATOM 0 H TYR A 50 1.982 -0.950 6.497 1.00 0.00 H new ATOM 0 HA TYR A 50 2.487 1.961 6.073 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.351 -0.124 8.082 1.00 0.00 H new ATOM 0 HB3 TYR A 50 4.609 0.953 7.509 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.453 3.556 7.331 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.619 0.505 10.187 1.00 0.00 H new ATOM 0 HE1 TYR A 50 2.702 5.309 8.996 1.00 0.00 H new ATOM 0 HE2 TYR A 50 1.871 2.269 11.842 1.00 0.00 H new ATOM 0 HH TYR A 50 2.159 5.684 11.074 1.00 0.00 H new ATOM 786 N ILE A 51 4.238 1.540 4.428 1.00 0.00 N ATOM 787 CA ILE A 51 5.179 1.303 3.347 1.00 0.00 C ATOM 788 C ILE A 51 6.475 2.065 3.627 1.00 0.00 C ATOM 789 O ILE A 51 6.481 3.295 3.663 1.00 0.00 O ATOM 790 CB ILE A 51 4.543 1.646 1.998 1.00 0.00 C ATOM 791 CG1 ILE A 51 3.058 1.276 1.982 1.00 0.00 C ATOM 792 CG2 ILE A 51 5.310 0.992 0.847 1.00 0.00 C ATOM 793 CD1 ILE A 51 2.434 1.574 0.617 1.00 0.00 C ATOM 0 H ILE A 51 3.938 2.510 4.527 1.00 0.00 H new ATOM 0 HA ILE A 51 5.437 0.245 3.292 1.00 0.00 H new ATOM 0 HB ILE A 51 4.607 2.725 1.855 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.940 0.218 2.217 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.532 1.834 2.756 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.837 1.252 -0.100 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.340 1.348 0.848 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.300 -0.091 0.972 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.379 1.302 0.632 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.532 2.637 0.397 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.947 0.995 -0.152 1.00 0.00 H new ATOM 805 N LYS A 52 7.542 1.304 3.818 1.00 0.00 N ATOM 806 CA LYS A 52 8.842 1.892 4.095 1.00 0.00 C ATOM 807 C LYS A 52 9.894 1.240 3.196 1.00 0.00 C ATOM 808 O LYS A 52 9.779 0.064 2.852 1.00 0.00 O ATOM 809 CB LYS A 52 9.166 1.800 5.587 1.00 0.00 C ATOM 810 CG LYS A 52 10.408 2.624 5.931 1.00 0.00 C ATOM 811 CD LYS A 52 11.537 1.727 6.444 1.00 0.00 C ATOM 812 CE LYS A 52 11.295 1.320 7.899 1.00 0.00 C ATOM 813 NZ LYS A 52 11.186 -0.151 8.014 1.00 0.00 N ATOM 0 H LYS A 52 7.533 0.285 3.786 1.00 0.00 H new ATOM 0 HA LYS A 52 8.836 2.956 3.859 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.316 2.156 6.170 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.328 0.758 5.864 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.744 3.168 5.048 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.157 3.368 6.688 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.610 0.836 5.821 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.489 2.252 6.363 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.112 1.680 8.524 1.00 0.00 H new ATOM 0 HE3 LYS A 52 10.382 1.788 8.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 11.022 -0.410 9.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.392 -0.487 7.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.068 -0.591 7.682 1.00 0.00 H new ATOM 827 N SER A 53 10.895 2.031 2.840 1.00 0.00 N ATOM 828 CA SER A 53 11.967 1.545 1.987 1.00 0.00 C ATOM 829 C SER A 53 12.968 0.736 2.815 1.00 0.00 C ATOM 830 O SER A 53 13.328 1.133 3.922 1.00 0.00 O ATOM 831 CB SER A 53 12.676 2.702 1.280 1.00 0.00 C ATOM 832 OG SER A 53 12.006 3.087 0.083 1.00 0.00 O ATOM 0 H SER A 53 10.987 3.006 3.127 1.00 0.00 H new ATOM 0 HA SER A 53 11.531 0.901 1.223 1.00 0.00 H new ATOM 0 HB2 SER A 53 12.735 3.557 1.954 1.00 0.00 H new ATOM 0 HB3 SER A 53 13.700 2.410 1.045 1.00 0.00 H new ATOM 0 HG SER A 53 12.664 3.227 -0.630 1.00 0.00 H new ATOM 838 N THR A 54 13.388 -0.384 2.246 1.00 0.00 N ATOM 839 CA THR A 54 14.340 -1.253 2.917 1.00 0.00 C ATOM 840 C THR A 54 15.767 -0.921 2.476 1.00 0.00 C ATOM 841 O THR A 54 16.727 -1.505 2.977 1.00 0.00 O ATOM 842 CB THR A 54 13.939 -2.702 2.634 1.00 0.00 C ATOM 843 OG1 THR A 54 14.082 -2.833 1.222 1.00 0.00 O ATOM 844 CG2 THR A 54 12.451 -2.956 2.883 1.00 0.00 C ATOM 0 H THR A 54 13.087 -0.710 1.328 1.00 0.00 H new ATOM 0 HA THR A 54 14.322 -1.100 3.996 1.00 0.00 H new ATOM 0 HB THR A 54 14.531 -3.371 3.258 1.00 0.00 H new ATOM 0 HG1 THR A 54 13.236 -2.601 0.785 1.00 0.00 H new ATOM 0 HG21 THR A 54 12.219 -3.999 2.667 1.00 0.00 H new ATOM 0 HG22 THR A 54 12.214 -2.739 3.925 1.00 0.00 H new ATOM 0 HG23 THR A 54 11.858 -2.311 2.235 1.00 0.00 H new ATOM 852 N GLU A 55 15.862 0.016 1.544 1.00 0.00 N ATOM 853 CA GLU A 55 17.156 0.433 1.031 1.00 0.00 C ATOM 854 C GLU A 55 17.552 1.786 1.625 1.00 0.00 C ATOM 855 O GLU A 55 18.510 1.875 2.392 1.00 0.00 O ATOM 856 CB GLU A 55 17.148 0.486 -0.498 1.00 0.00 C ATOM 857 CG GLU A 55 18.482 1.008 -1.036 1.00 0.00 C ATOM 858 CD GLU A 55 19.281 -0.114 -1.704 1.00 0.00 C ATOM 859 OE1 GLU A 55 19.050 -1.280 -1.319 1.00 0.00 O ATOM 860 OE2 GLU A 55 20.103 0.222 -2.583 1.00 0.00 O ATOM 0 H GLU A 55 15.064 0.498 1.131 1.00 0.00 H new ATOM 0 HA GLU A 55 17.900 -0.305 1.332 1.00 0.00 H new ATOM 0 HB2 GLU A 55 16.955 -0.509 -0.899 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.337 1.130 -0.839 1.00 0.00 H new ATOM 0 HG2 GLU A 55 18.301 1.808 -1.754 1.00 0.00 H new ATOM 0 HG3 GLU A 55 19.064 1.438 -0.221 1.00 0.00 H new ATOM 867 N THR A 56 16.795 2.806 1.248 1.00 0.00 N ATOM 868 CA THR A 56 17.055 4.150 1.733 1.00 0.00 C ATOM 869 C THR A 56 16.751 4.245 3.230 1.00 0.00 C ATOM 870 O THR A 56 17.650 4.477 4.036 1.00 0.00 O ATOM 871 CB THR A 56 16.238 5.126 0.884 1.00 0.00 C ATOM 872 OG1 THR A 56 14.982 4.474 0.717 1.00 0.00 O ATOM 873 CG2 THR A 56 16.781 5.259 -0.540 1.00 0.00 C ATOM 0 H THR A 56 16.001 2.728 0.612 1.00 0.00 H new ATOM 0 HA THR A 56 18.108 4.410 1.630 1.00 0.00 H new ATOM 0 HB THR A 56 16.231 6.105 1.363 1.00 0.00 H new ATOM 0 HG1 THR A 56 14.389 5.039 0.179 1.00 0.00 H new ATOM 0 HG21 THR A 56 16.165 5.963 -1.100 1.00 0.00 H new ATOM 0 HG22 THR A 56 17.808 5.623 -0.505 1.00 0.00 H new ATOM 0 HG23 THR A 56 16.757 4.286 -1.031 1.00 0.00 H new ATOM 881 N GLY A 57 15.480 4.061 3.555 1.00 0.00 N ATOM 882 CA GLY A 57 15.045 4.122 4.940 1.00 0.00 C ATOM 883 C GLY A 57 14.105 5.307 5.168 1.00 0.00 C ATOM 884 O GLY A 57 14.307 6.097 6.089 1.00 0.00 O ATOM 0 H GLY A 57 14.737 3.870 2.883 1.00 0.00 H new ATOM 0 HA2 GLY A 57 14.538 3.195 5.207 1.00 0.00 H new ATOM 0 HA3 GLY A 57 15.913 4.211 5.594 1.00 0.00 H new ATOM 888 N GLN A 58 13.096 5.394 4.313 1.00 0.00 N ATOM 889 CA GLN A 58 12.124 6.469 4.409 1.00 0.00 C ATOM 890 C GLN A 58 10.704 5.916 4.270 1.00 0.00 C ATOM 891 O GLN A 58 10.461 5.016 3.467 1.00 0.00 O ATOM 892 CB GLN A 58 12.396 7.550 3.361 1.00 0.00 C ATOM 893 CG GLN A 58 13.899 7.750 3.157 1.00 0.00 C ATOM 894 CD GLN A 58 14.174 8.653 1.953 1.00 0.00 C ATOM 895 OE1 GLN A 58 14.837 9.672 2.047 1.00 0.00 O ATOM 896 NE2 GLN A 58 13.628 8.223 0.819 1.00 0.00 N ATOM 0 H GLN A 58 12.931 4.737 3.550 1.00 0.00 H new ATOM 0 HA GLN A 58 12.219 6.930 5.392 1.00 0.00 H new ATOM 0 HB2 GLN A 58 11.931 7.270 2.416 1.00 0.00 H new ATOM 0 HB3 GLN A 58 11.940 8.489 3.675 1.00 0.00 H new ATOM 0 HG2 GLN A 58 14.336 8.190 4.053 1.00 0.00 H new ATOM 0 HG3 GLN A 58 14.381 6.784 3.009 1.00 0.00 H new ATOM 0 HE21 GLN A 58 13.084 7.360 0.810 1.00 0.00 H new ATOM 0 HE22 GLN A 58 13.753 8.756 -0.042 1.00 0.00 H new ATOM 905 N TYR A 59 9.804 6.476 5.064 1.00 0.00 N ATOM 906 CA TYR A 59 8.416 6.049 5.040 1.00 0.00 C ATOM 907 C TYR A 59 7.641 6.767 3.933 1.00 0.00 C ATOM 908 O TYR A 59 7.832 7.962 3.712 1.00 0.00 O ATOM 909 CB TYR A 59 7.829 6.445 6.396 1.00 0.00 C ATOM 910 CG TYR A 59 8.476 5.733 7.586 1.00 0.00 C ATOM 911 CD1 TYR A 59 8.125 4.433 7.886 1.00 0.00 C ATOM 912 CD2 TYR A 59 9.410 6.392 8.360 1.00 0.00 C ATOM 913 CE1 TYR A 59 8.734 3.763 9.005 1.00 0.00 C ATOM 914 CE2 TYR A 59 10.019 5.722 9.479 1.00 0.00 C ATOM 915 CZ TYR A 59 9.651 4.440 9.747 1.00 0.00 C ATOM 916 OH TYR A 59 10.226 3.808 10.805 1.00 0.00 O ATOM 0 H TYR A 59 10.009 7.222 5.728 1.00 0.00 H new ATOM 0 HA TYR A 59 8.347 4.978 4.852 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.938 7.522 6.527 1.00 0.00 H new ATOM 0 HB3 TYR A 59 6.760 6.230 6.394 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.393 3.918 7.281 1.00 0.00 H new ATOM 0 HD2 TYR A 59 9.684 7.410 8.126 1.00 0.00 H new ATOM 0 HE1 TYR A 59 8.469 2.745 9.250 1.00 0.00 H new ATOM 0 HE2 TYR A 59 10.752 6.226 10.092 1.00 0.00 H new ATOM 0 HH TYR A 59 10.862 4.413 11.241 1.00 0.00 H new ATOM 926 N LEU A 60 6.783 6.008 3.267 1.00 0.00 N ATOM 927 CA LEU A 60 5.979 6.557 2.189 1.00 0.00 C ATOM 928 C LEU A 60 4.823 7.366 2.781 1.00 0.00 C ATOM 929 O LEU A 60 3.981 6.821 3.493 1.00 0.00 O ATOM 930 CB LEU A 60 5.529 5.447 1.237 1.00 0.00 C ATOM 931 CG LEU A 60 4.609 5.877 0.092 1.00 0.00 C ATOM 932 CD1 LEU A 60 5.422 6.325 -1.124 1.00 0.00 C ATOM 933 CD2 LEU A 60 3.616 4.767 -0.259 1.00 0.00 C ATOM 0 H LEU A 60 6.627 5.017 3.453 1.00 0.00 H new ATOM 0 HA LEU A 60 6.571 7.243 1.584 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.416 4.981 0.808 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.017 4.681 1.820 1.00 0.00 H new ATOM 0 HG LEU A 60 4.027 6.736 0.425 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.745 6.625 -1.924 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.055 7.169 -0.848 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.046 5.501 -1.468 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.974 5.098 -1.075 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.161 3.874 -0.565 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.004 4.537 0.613 1.00 0.00 H new ATOM 945 N ALA A 61 4.819 8.652 2.465 1.00 0.00 N ATOM 946 CA ALA A 61 3.780 9.541 2.957 1.00 0.00 C ATOM 947 C ALA A 61 3.366 10.502 1.841 1.00 0.00 C ATOM 948 O ALA A 61 4.173 10.839 0.976 1.00 0.00 O ATOM 949 CB ALA A 61 4.283 10.275 4.201 1.00 0.00 C ATOM 0 H ALA A 61 5.519 9.100 1.874 1.00 0.00 H new ATOM 0 HA ALA A 61 2.896 8.974 3.248 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.504 10.942 4.570 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.536 9.549 4.974 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.168 10.858 3.947 1.00 0.00 H new ATOM 955 N MET A 62 2.109 10.916 1.896 1.00 0.00 N ATOM 956 CA MET A 62 1.578 11.832 0.900 1.00 0.00 C ATOM 957 C MET A 62 1.444 13.245 1.471 1.00 0.00 C ATOM 958 O MET A 62 0.722 13.459 2.444 1.00 0.00 O ATOM 959 CB MET A 62 0.208 11.338 0.432 1.00 0.00 C ATOM 960 CG MET A 62 -0.457 12.361 -0.491 1.00 0.00 C ATOM 961 SD MET A 62 -1.906 11.647 -1.251 1.00 0.00 S ATOM 962 CE MET A 62 -1.167 10.241 -2.065 1.00 0.00 C ATOM 0 H MET A 62 1.442 10.634 2.615 1.00 0.00 H new ATOM 0 HA MET A 62 2.269 11.865 0.058 1.00 0.00 H new ATOM 0 HB2 MET A 62 0.319 10.388 -0.092 1.00 0.00 H new ATOM 0 HB3 MET A 62 -0.431 11.153 1.296 1.00 0.00 H new ATOM 0 HG2 MET A 62 -0.734 13.249 0.077 1.00 0.00 H new ATOM 0 HG3 MET A 62 0.247 12.681 -1.260 1.00 0.00 H new ATOM 0 HE1 MET A 62 -1.691 10.045 -3.000 1.00 0.00 H new ATOM 0 HE2 MET A 62 -0.118 10.451 -2.274 1.00 0.00 H new ATOM 0 HE3 MET A 62 -1.240 9.366 -1.418 1.00 0.00 H new ATOM 972 N ASP A 63 2.150 14.172 0.842 1.00 0.00 N ATOM 973 CA ASP A 63 2.119 15.559 1.275 1.00 0.00 C ATOM 974 C ASP A 63 0.777 16.181 0.883 1.00 0.00 C ATOM 975 O ASP A 63 -0.023 15.555 0.190 1.00 0.00 O ATOM 976 CB ASP A 63 3.230 16.370 0.606 1.00 0.00 C ATOM 977 CG ASP A 63 3.474 16.040 -0.868 1.00 0.00 C ATOM 978 OD1 ASP A 63 2.488 16.098 -1.633 1.00 0.00 O ATOM 979 OD2 ASP A 63 4.642 15.735 -1.195 1.00 0.00 O ATOM 0 H ASP A 63 2.747 13.990 0.035 1.00 0.00 H new ATOM 0 HA ASP A 63 2.260 15.578 2.356 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.987 17.429 0.690 1.00 0.00 H new ATOM 0 HB3 ASP A 63 4.157 16.211 1.157 1.00 0.00 H new ATOM 984 N THR A 64 0.572 17.407 1.344 1.00 0.00 N ATOM 985 CA THR A 64 -0.659 18.120 1.050 1.00 0.00 C ATOM 986 C THR A 64 -0.729 18.471 -0.438 1.00 0.00 C ATOM 987 O THR A 64 -1.807 18.745 -0.964 1.00 0.00 O ATOM 988 CB THR A 64 -0.726 19.343 1.966 1.00 0.00 C ATOM 989 OG1 THR A 64 0.455 20.076 1.655 1.00 0.00 O ATOM 990 CG2 THR A 64 -0.561 18.979 3.443 1.00 0.00 C ATOM 0 H THR A 64 1.238 17.924 1.919 1.00 0.00 H new ATOM 0 HA THR A 64 -1.533 17.499 1.247 1.00 0.00 H new ATOM 0 HB THR A 64 -1.679 19.851 1.822 1.00 0.00 H new ATOM 0 HG1 THR A 64 0.491 20.887 2.204 1.00 0.00 H new ATOM 0 HG21 THR A 64 -0.616 19.883 4.049 1.00 0.00 H new ATOM 0 HG22 THR A 64 -1.355 18.294 3.740 1.00 0.00 H new ATOM 0 HG23 THR A 64 0.406 18.500 3.594 1.00 0.00 H new ATOM 998 N ASP A 65 0.433 18.451 -1.074 1.00 0.00 N ATOM 999 CA ASP A 65 0.516 18.764 -2.490 1.00 0.00 C ATOM 1000 C ASP A 65 -0.088 17.614 -3.298 1.00 0.00 C ATOM 1001 O ASP A 65 -0.238 17.717 -4.515 1.00 0.00 O ATOM 1002 CB ASP A 65 1.971 18.938 -2.931 1.00 0.00 C ATOM 1003 CG ASP A 65 2.335 20.341 -3.422 1.00 0.00 C ATOM 1004 OD1 ASP A 65 1.807 21.305 -2.826 1.00 0.00 O ATOM 1005 OD2 ASP A 65 3.132 20.417 -4.381 1.00 0.00 O ATOM 0 H ASP A 65 1.325 18.223 -0.635 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.027 19.693 -2.663 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.621 18.682 -2.095 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.181 18.225 -3.728 1.00 0.00 H new ATOM 1010 N GLY A 66 -0.420 16.545 -2.589 1.00 0.00 N ATOM 1011 CA GLY A 66 -1.005 15.377 -3.225 1.00 0.00 C ATOM 1012 C GLY A 66 0.079 14.475 -3.818 1.00 0.00 C ATOM 1013 O GLY A 66 -0.225 13.508 -4.515 1.00 0.00 O ATOM 0 H GLY A 66 -0.295 16.463 -1.580 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.591 14.817 -2.496 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.691 15.692 -4.011 1.00 0.00 H new ATOM 1017 N LEU A 67 1.322 14.823 -3.520 1.00 0.00 N ATOM 1018 CA LEU A 67 2.453 14.057 -4.015 1.00 0.00 C ATOM 1019 C LEU A 67 2.953 13.122 -2.911 1.00 0.00 C ATOM 1020 O LEU A 67 2.568 13.264 -1.752 1.00 0.00 O ATOM 1021 CB LEU A 67 3.533 14.990 -4.565 1.00 0.00 C ATOM 1022 CG LEU A 67 3.238 15.630 -5.923 1.00 0.00 C ATOM 1023 CD1 LEU A 67 2.492 16.955 -5.755 1.00 0.00 C ATOM 1024 CD2 LEU A 67 4.520 15.794 -6.742 1.00 0.00 C ATOM 0 H LEU A 67 1.571 15.626 -2.942 1.00 0.00 H new ATOM 0 HA LEU A 67 2.150 13.429 -4.853 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.702 15.786 -3.839 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.464 14.429 -4.645 1.00 0.00 H new ATOM 0 HG LEU A 67 2.583 14.961 -6.480 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.295 17.388 -6.735 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.548 16.778 -5.240 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.101 17.644 -5.170 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.282 16.251 -7.703 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.219 16.431 -6.200 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.973 14.817 -6.908 1.00 0.00 H new ATOM 1036 N LEU A 68 3.802 12.187 -3.311 1.00 0.00 N ATOM 1037 CA LEU A 68 4.358 11.229 -2.370 1.00 0.00 C ATOM 1038 C LEU A 68 5.810 11.604 -2.066 1.00 0.00 C ATOM 1039 O LEU A 68 6.540 12.043 -2.953 1.00 0.00 O ATOM 1040 CB LEU A 68 4.188 9.802 -2.895 1.00 0.00 C ATOM 1041 CG LEU A 68 2.749 9.293 -3.001 1.00 0.00 C ATOM 1042 CD1 LEU A 68 2.646 8.147 -4.009 1.00 0.00 C ATOM 1043 CD2 LEU A 68 2.206 8.898 -1.626 1.00 0.00 C ATOM 0 H LEU A 68 4.119 12.072 -4.274 1.00 0.00 H new ATOM 0 HA LEU A 68 3.815 11.263 -1.425 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.647 9.742 -3.882 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.744 9.128 -2.243 1.00 0.00 H new ATOM 0 HG LEU A 68 2.125 10.105 -3.373 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.613 7.804 -4.065 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.966 8.496 -4.991 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.285 7.324 -3.690 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.182 8.540 -1.729 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.826 8.108 -1.203 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.223 9.765 -0.965 1.00 0.00 H new ATOM 1055 N TYR A 69 6.185 11.417 -0.809 1.00 0.00 N ATOM 1056 CA TYR A 69 7.536 11.729 -0.377 1.00 0.00 C ATOM 1057 C TYR A 69 7.940 10.872 0.824 1.00 0.00 C ATOM 1058 O TYR A 69 7.092 10.477 1.623 1.00 0.00 O ATOM 1059 CB TYR A 69 7.514 13.200 0.046 1.00 0.00 C ATOM 1060 CG TYR A 69 6.932 13.437 1.441 1.00 0.00 C ATOM 1061 CD1 TYR A 69 7.618 13.004 2.558 1.00 0.00 C ATOM 1062 CD2 TYR A 69 5.722 14.085 1.583 1.00 0.00 C ATOM 1063 CE1 TYR A 69 7.070 13.227 3.871 1.00 0.00 C ATOM 1064 CE2 TYR A 69 5.174 14.308 2.896 1.00 0.00 C ATOM 1065 CZ TYR A 69 5.875 13.868 3.975 1.00 0.00 C ATOM 1066 OH TYR A 69 5.358 14.079 5.215 1.00 0.00 O ATOM 0 H TYR A 69 5.576 11.053 -0.076 1.00 0.00 H new ATOM 0 HA TYR A 69 8.249 11.534 -1.178 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.531 13.591 0.016 1.00 0.00 H new ATOM 0 HB3 TYR A 69 6.933 13.768 -0.680 1.00 0.00 H new ATOM 0 HD1 TYR A 69 8.566 12.498 2.447 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.186 14.425 0.709 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.596 12.893 4.753 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.228 14.813 3.021 1.00 0.00 H new ATOM 0 HH TYR A 69 4.501 14.548 5.137 1.00 0.00 H new ATOM 1076 N GLY A 70 9.235 10.608 0.914 1.00 0.00 N ATOM 1077 CA GLY A 70 9.762 9.804 2.004 1.00 0.00 C ATOM 1078 C GLY A 70 9.957 10.649 3.264 1.00 0.00 C ATOM 1079 O GLY A 70 10.664 11.655 3.238 1.00 0.00 O ATOM 0 H GLY A 70 9.936 10.937 0.250 1.00 0.00 H new ATOM 0 HA2 GLY A 70 9.080 8.981 2.216 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.713 9.362 1.708 1.00 0.00 H new ATOM 1083 N SER A 71 9.317 10.210 4.337 1.00 0.00 N ATOM 1084 CA SER A 71 9.411 10.914 5.605 1.00 0.00 C ATOM 1085 C SER A 71 10.610 10.397 6.403 1.00 0.00 C ATOM 1086 O SER A 71 10.880 9.197 6.417 1.00 0.00 O ATOM 1087 CB SER A 71 8.125 10.757 6.419 1.00 0.00 C ATOM 1088 OG SER A 71 8.077 11.658 7.522 1.00 0.00 O ATOM 0 H SER A 71 8.731 9.375 4.355 1.00 0.00 H new ATOM 0 HA SER A 71 9.551 11.975 5.397 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.264 10.929 5.773 1.00 0.00 H new ATOM 0 HB3 SER A 71 8.050 9.733 6.784 1.00 0.00 H new ATOM 0 HG SER A 71 8.126 11.152 8.360 1.00 0.00 H new ATOM 1094 N GLN A 72 11.297 11.328 7.047 1.00 0.00 N ATOM 1095 CA GLN A 72 12.461 10.982 7.845 1.00 0.00 C ATOM 1096 C GLN A 72 12.053 10.089 9.019 1.00 0.00 C ATOM 1097 O GLN A 72 12.782 9.168 9.385 1.00 0.00 O ATOM 1098 CB GLN A 72 13.183 12.238 8.337 1.00 0.00 C ATOM 1099 CG GLN A 72 14.378 11.874 9.220 1.00 0.00 C ATOM 1100 CD GLN A 72 14.652 12.972 10.250 1.00 0.00 C ATOM 1101 OE1 GLN A 72 14.190 12.930 11.379 1.00 0.00 O ATOM 1102 NE2 GLN A 72 15.428 13.954 9.801 1.00 0.00 N ATOM 0 H GLN A 72 11.070 12.322 7.033 1.00 0.00 H new ATOM 0 HA GLN A 72 13.156 10.427 7.215 1.00 0.00 H new ATOM 0 HB2 GLN A 72 13.523 12.824 7.483 1.00 0.00 H new ATOM 0 HB3 GLN A 72 12.489 12.864 8.898 1.00 0.00 H new ATOM 0 HG2 GLN A 72 14.183 10.931 9.731 1.00 0.00 H new ATOM 0 HG3 GLN A 72 15.261 11.724 8.599 1.00 0.00 H new ATOM 0 HE21 GLN A 72 15.782 13.928 8.845 1.00 0.00 H new ATOM 0 HE22 GLN A 72 15.670 14.733 10.413 1.00 0.00 H new ATOM 1111 N THR A 73 10.890 10.393 9.576 1.00 0.00 N ATOM 1112 CA THR A 73 10.377 9.630 10.701 1.00 0.00 C ATOM 1113 C THR A 73 8.983 9.085 10.384 1.00 0.00 C ATOM 1114 O THR A 73 8.309 9.581 9.482 1.00 0.00 O ATOM 1115 CB THR A 73 10.411 10.530 11.938 1.00 0.00 C ATOM 1116 OG1 THR A 73 10.107 11.827 11.432 1.00 0.00 O ATOM 1117 CG2 THR A 73 11.820 10.676 12.517 1.00 0.00 C ATOM 0 H THR A 73 10.288 11.157 9.269 1.00 0.00 H new ATOM 0 HA THR A 73 10.996 8.755 10.901 1.00 0.00 H new ATOM 0 HB THR A 73 9.746 10.125 12.700 1.00 0.00 H new ATOM 0 HG1 THR A 73 10.106 12.474 12.168 1.00 0.00 H new ATOM 0 HG21 THR A 73 11.788 11.324 13.393 1.00 0.00 H new ATOM 0 HG22 THR A 73 12.198 9.695 12.805 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.478 11.113 11.766 1.00 0.00 H new ATOM 1125 N PRO A 74 8.581 8.046 11.163 1.00 0.00 N ATOM 1126 CA PRO A 74 7.279 7.429 10.975 1.00 0.00 C ATOM 1127 C PRO A 74 6.165 8.319 11.528 1.00 0.00 C ATOM 1128 O PRO A 74 6.033 8.474 12.741 1.00 0.00 O ATOM 1129 CB PRO A 74 7.374 6.087 11.683 1.00 0.00 C ATOM 1130 CG PRO A 74 8.556 6.199 12.632 1.00 0.00 C ATOM 1131 CD PRO A 74 9.352 7.433 12.241 1.00 0.00 C ATOM 0 HA PRO A 74 7.026 7.293 9.924 1.00 0.00 H new ATOM 0 HB2 PRO A 74 6.456 5.867 12.227 1.00 0.00 H new ATOM 0 HB3 PRO A 74 7.523 5.278 10.968 1.00 0.00 H new ATOM 0 HG2 PRO A 74 8.212 6.278 13.663 1.00 0.00 H new ATOM 0 HG3 PRO A 74 9.180 5.307 12.572 1.00 0.00 H new ATOM 0 HD2 PRO A 74 9.465 8.115 13.084 1.00 0.00 H new ATOM 0 HD3 PRO A 74 10.356 7.168 11.909 1.00 0.00 H new ATOM 1139 N ASN A 75 5.390 8.882 10.611 1.00 0.00 N ATOM 1140 CA ASN A 75 4.292 9.753 10.992 1.00 0.00 C ATOM 1141 C ASN A 75 2.979 9.170 10.466 1.00 0.00 C ATOM 1142 O ASN A 75 2.978 8.393 9.512 1.00 0.00 O ATOM 1143 CB ASN A 75 4.463 11.150 10.392 1.00 0.00 C ATOM 1144 CG ASN A 75 5.093 12.108 11.405 1.00 0.00 C ATOM 1145 OD1 ASN A 75 4.474 12.530 12.368 1.00 0.00 O ATOM 1146 ND2 ASN A 75 6.356 12.426 11.135 1.00 0.00 N ATOM 0 H ASN A 75 5.502 8.751 9.606 1.00 0.00 H new ATOM 0 HA ASN A 75 4.282 9.827 12.079 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.089 11.093 9.502 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.494 11.535 10.076 1.00 0.00 H new ATOM 0 HD21 ASN A 75 6.866 13.059 11.752 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.815 12.037 10.311 1.00 0.00 H new ATOM 1153 N GLU A 76 1.891 9.567 11.111 1.00 0.00 N ATOM 1154 CA GLU A 76 0.574 9.093 10.719 1.00 0.00 C ATOM 1155 C GLU A 76 0.393 9.220 9.205 1.00 0.00 C ATOM 1156 O GLU A 76 -0.334 8.437 8.596 1.00 0.00 O ATOM 1157 CB GLU A 76 -0.525 9.850 11.468 1.00 0.00 C ATOM 1158 CG GLU A 76 -1.104 8.998 12.599 1.00 0.00 C ATOM 1159 CD GLU A 76 -1.068 9.753 13.929 1.00 0.00 C ATOM 1160 OE1 GLU A 76 0.043 9.859 14.491 1.00 0.00 O ATOM 1161 OE2 GLU A 76 -2.152 10.208 14.353 1.00 0.00 O ATOM 0 H GLU A 76 1.895 10.211 11.902 1.00 0.00 H new ATOM 0 HA GLU A 76 0.493 8.040 10.987 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.120 10.776 11.876 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.318 10.127 10.774 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.131 8.722 12.361 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.537 8.071 12.688 1.00 0.00 H new ATOM 1168 N GLU A 77 1.068 10.211 8.641 1.00 0.00 N ATOM 1169 CA GLU A 77 0.990 10.449 7.210 1.00 0.00 C ATOM 1170 C GLU A 77 1.499 9.229 6.440 1.00 0.00 C ATOM 1171 O GLU A 77 1.095 8.996 5.302 1.00 0.00 O ATOM 1172 CB GLU A 77 1.770 11.707 6.821 1.00 0.00 C ATOM 1173 CG GLU A 77 1.262 12.927 7.591 1.00 0.00 C ATOM 1174 CD GLU A 77 2.418 13.849 7.983 1.00 0.00 C ATOM 1175 OE1 GLU A 77 3.008 13.595 9.055 1.00 0.00 O ATOM 1176 OE2 GLU A 77 2.687 14.787 7.202 1.00 0.00 O ATOM 0 H GLU A 77 1.671 10.858 9.149 1.00 0.00 H new ATOM 0 HA GLU A 77 -0.055 10.611 6.945 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.830 11.559 7.025 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.673 11.883 5.750 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.546 13.476 6.979 1.00 0.00 H new ATOM 0 HG3 GLU A 77 0.732 12.602 8.486 1.00 0.00 H new ATOM 1183 N CYS A 78 2.377 8.481 7.093 1.00 0.00 N ATOM 1184 CA CYS A 78 2.945 7.291 6.483 1.00 0.00 C ATOM 1185 C CYS A 78 1.940 6.147 6.638 1.00 0.00 C ATOM 1186 O CYS A 78 2.054 5.121 5.968 1.00 0.00 O ATOM 1187 CB CYS A 78 4.306 6.940 7.088 1.00 0.00 C ATOM 1188 SG CYS A 78 5.408 8.401 7.037 1.00 0.00 S ATOM 0 H CYS A 78 2.708 8.676 8.038 1.00 0.00 H new ATOM 0 HA CYS A 78 3.128 7.473 5.424 1.00 0.00 H new ATOM 0 HB2 CYS A 78 4.180 6.605 8.117 1.00 0.00 H new ATOM 0 HB3 CYS A 78 4.757 6.115 6.537 1.00 0.00 H new ATOM 0 HG CYS A 78 4.873 9.372 7.716 1.00 0.00 H new ATOM 1194 N LEU A 79 0.979 6.361 7.525 1.00 0.00 N ATOM 1195 CA LEU A 79 -0.044 5.361 7.775 1.00 0.00 C ATOM 1196 C LEU A 79 -1.185 5.542 6.772 1.00 0.00 C ATOM 1197 O LEU A 79 -1.827 6.590 6.740 1.00 0.00 O ATOM 1198 CB LEU A 79 -0.496 5.411 9.236 1.00 0.00 C ATOM 1199 CG LEU A 79 -1.295 4.204 9.733 1.00 0.00 C ATOM 1200 CD1 LEU A 79 -0.828 2.918 9.049 1.00 0.00 C ATOM 1201 CD2 LEU A 79 -1.234 4.097 11.258 1.00 0.00 C ATOM 0 H LEU A 79 0.888 7.212 8.079 1.00 0.00 H new ATOM 0 HA LEU A 79 0.358 4.359 7.623 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.387 5.521 9.865 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.102 6.306 9.378 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.340 4.351 9.462 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.412 2.076 9.420 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.966 3.008 7.972 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.227 2.752 9.267 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.810 3.231 11.585 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.197 3.983 11.574 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.652 5.000 11.703 1.00 0.00 H new ATOM 1213 N PHE A 80 -1.403 4.504 5.978 1.00 0.00 N ATOM 1214 CA PHE A 80 -2.455 4.535 4.977 1.00 0.00 C ATOM 1215 C PHE A 80 -3.506 3.458 5.252 1.00 0.00 C ATOM 1216 O PHE A 80 -3.269 2.541 6.036 1.00 0.00 O ATOM 1217 CB PHE A 80 -1.795 4.254 3.625 1.00 0.00 C ATOM 1218 CG PHE A 80 -1.015 5.440 3.055 1.00 0.00 C ATOM 1219 CD1 PHE A 80 0.025 5.970 3.754 1.00 0.00 C ATOM 1220 CD2 PHE A 80 -1.361 5.965 1.849 1.00 0.00 C ATOM 1221 CE1 PHE A 80 0.749 7.070 3.224 1.00 0.00 C ATOM 1222 CE2 PHE A 80 -0.637 7.066 1.320 1.00 0.00 C ATOM 1223 CZ PHE A 80 0.403 7.596 2.019 1.00 0.00 C ATOM 0 H PHE A 80 -0.868 3.636 6.008 1.00 0.00 H new ATOM 0 HA PHE A 80 -2.954 5.504 4.992 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -1.119 3.405 3.732 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -2.564 3.961 2.911 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.300 5.554 4.712 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.186 5.544 1.294 1.00 0.00 H new ATOM 0 HE1 PHE A 80 1.575 7.489 3.778 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -0.912 7.483 0.362 1.00 0.00 H new ATOM 0 HZ PHE A 80 0.953 8.434 1.617 1.00 0.00 H new ATOM 1233 N LEU A 81 -4.645 3.605 4.590 1.00 0.00 N ATOM 1234 CA LEU A 81 -5.733 2.656 4.754 1.00 0.00 C ATOM 1235 C LEU A 81 -5.787 1.734 3.534 1.00 0.00 C ATOM 1236 O LEU A 81 -5.875 2.203 2.400 1.00 0.00 O ATOM 1237 CB LEU A 81 -7.047 3.390 5.029 1.00 0.00 C ATOM 1238 CG LEU A 81 -6.990 4.493 6.087 1.00 0.00 C ATOM 1239 CD1 LEU A 81 -6.156 4.055 7.292 1.00 0.00 C ATOM 1240 CD2 LEU A 81 -6.482 5.805 5.484 1.00 0.00 C ATOM 0 H LEU A 81 -4.838 4.367 3.939 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.560 2.024 5.625 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.398 3.828 4.095 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.792 2.657 5.337 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.003 4.674 6.446 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.132 4.858 8.029 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.601 3.166 7.739 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.140 3.829 6.968 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.451 6.573 6.257 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.481 5.656 5.080 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.152 6.122 4.685 1.00 0.00 H new ATOM 1252 N GLU A 82 -5.731 0.439 3.808 1.00 0.00 N ATOM 1253 CA GLU A 82 -5.772 -0.553 2.748 1.00 0.00 C ATOM 1254 C GLU A 82 -7.109 -1.298 2.769 1.00 0.00 C ATOM 1255 O GLU A 82 -7.651 -1.578 3.837 1.00 0.00 O ATOM 1256 CB GLU A 82 -4.600 -1.529 2.863 1.00 0.00 C ATOM 1257 CG GLU A 82 -4.826 -2.765 1.990 1.00 0.00 C ATOM 1258 CD GLU A 82 -5.392 -3.923 2.815 1.00 0.00 C ATOM 1259 OE1 GLU A 82 -6.551 -3.788 3.263 1.00 0.00 O ATOM 1260 OE2 GLU A 82 -4.652 -4.917 2.980 1.00 0.00 O ATOM 0 H GLU A 82 -5.658 0.054 4.750 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.680 -0.037 1.792 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.678 -1.032 2.563 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.475 -1.832 3.903 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.513 -2.521 1.179 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.885 -3.067 1.530 1.00 0.00 H new ATOM 1267 N ARG A 83 -7.603 -1.596 1.576 1.00 0.00 N ATOM 1268 CA ARG A 83 -8.866 -2.302 1.444 1.00 0.00 C ATOM 1269 C ARG A 83 -8.840 -3.211 0.214 1.00 0.00 C ATOM 1270 O ARG A 83 -7.957 -3.089 -0.634 1.00 0.00 O ATOM 1271 CB ARG A 83 -10.034 -1.322 1.321 1.00 0.00 C ATOM 1272 CG ARG A 83 -10.679 -1.064 2.684 1.00 0.00 C ATOM 1273 CD ARG A 83 -12.089 -1.655 2.745 1.00 0.00 C ATOM 1274 NE ARG A 83 -13.012 -0.848 1.916 1.00 0.00 N ATOM 1275 CZ ARG A 83 -14.321 -1.103 1.784 1.00 0.00 C ATOM 1276 NH1 ARG A 83 -14.869 -2.145 2.425 1.00 0.00 N ATOM 1277 NH2 ARG A 83 -15.082 -0.317 1.011 1.00 0.00 N ATOM 0 H ARG A 83 -7.151 -1.361 0.692 1.00 0.00 H new ATOM 0 HA ARG A 83 -9.005 -2.904 2.342 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.681 -0.382 0.898 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -10.778 -1.722 0.632 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -10.063 -1.501 3.470 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -10.722 0.009 2.873 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -12.076 -2.686 2.391 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -12.439 -1.677 3.777 1.00 0.00 H new ATOM 0 HE ARG A 83 -12.628 -0.048 1.414 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -14.290 -2.744 3.013 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -15.865 -2.339 2.324 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -14.665 0.476 0.523 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -16.078 -0.511 0.911 1.00 0.00 H new ATOM 1291 N LEU A 84 -9.818 -4.103 0.155 1.00 0.00 N ATOM 1292 CA LEU A 84 -9.918 -5.032 -0.957 1.00 0.00 C ATOM 1293 C LEU A 84 -10.829 -4.437 -2.033 1.00 0.00 C ATOM 1294 O LEU A 84 -12.036 -4.315 -1.831 1.00 0.00 O ATOM 1295 CB LEU A 84 -10.367 -6.410 -0.466 1.00 0.00 C ATOM 1296 CG LEU A 84 -10.394 -7.521 -1.517 1.00 0.00 C ATOM 1297 CD1 LEU A 84 -11.800 -7.694 -2.095 1.00 0.00 C ATOM 1298 CD2 LEU A 84 -9.352 -7.268 -2.609 1.00 0.00 C ATOM 0 H LEU A 84 -10.548 -4.202 0.860 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.940 -5.185 -1.414 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -9.705 -6.719 0.343 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -11.366 -6.314 -0.041 1.00 0.00 H new ATOM 0 HG LEU A 84 -10.128 -8.459 -1.030 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -11.792 -8.490 -2.840 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.493 -7.953 -1.295 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -12.118 -6.762 -2.563 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.392 -8.072 -3.344 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.563 -6.318 -3.100 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.358 -7.233 -2.163 1.00 0.00 H new ATOM 1310 N GLU A 85 -10.215 -4.081 -3.152 1.00 0.00 N ATOM 1311 CA GLU A 85 -10.956 -3.501 -4.260 1.00 0.00 C ATOM 1312 C GLU A 85 -11.073 -4.509 -5.405 1.00 0.00 C ATOM 1313 O GLU A 85 -10.149 -5.282 -5.654 1.00 0.00 O ATOM 1314 CB GLU A 85 -10.301 -2.203 -4.737 1.00 0.00 C ATOM 1315 CG GLU A 85 -10.497 -1.082 -3.715 1.00 0.00 C ATOM 1316 CD GLU A 85 -10.579 0.281 -4.405 1.00 0.00 C ATOM 1317 OE1 GLU A 85 -10.907 0.288 -5.611 1.00 0.00 O ATOM 1318 OE2 GLU A 85 -10.310 1.285 -3.711 1.00 0.00 O ATOM 0 H GLU A 85 -9.213 -4.183 -3.315 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.960 -3.257 -3.913 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.236 -2.368 -4.901 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -10.729 -1.906 -5.694 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.409 -1.260 -3.145 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.671 -1.085 -3.004 1.00 0.00 H new ATOM 1325 N GLU A 86 -12.218 -4.469 -6.070 1.00 0.00 N ATOM 1326 CA GLU A 86 -12.469 -5.370 -7.183 1.00 0.00 C ATOM 1327 C GLU A 86 -11.266 -5.393 -8.128 1.00 0.00 C ATOM 1328 O GLU A 86 -10.336 -4.603 -7.974 1.00 0.00 O ATOM 1329 CB GLU A 86 -13.746 -4.977 -7.929 1.00 0.00 C ATOM 1330 CG GLU A 86 -14.988 -5.497 -7.202 1.00 0.00 C ATOM 1331 CD GLU A 86 -16.265 -4.926 -7.822 1.00 0.00 C ATOM 1332 OE1 GLU A 86 -16.429 -3.689 -7.746 1.00 0.00 O ATOM 1333 OE2 GLU A 86 -17.048 -5.740 -8.357 1.00 0.00 O ATOM 0 H GLU A 86 -12.982 -3.827 -5.860 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.614 -6.375 -6.787 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.800 -3.892 -8.018 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -13.718 -5.379 -8.942 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -15.012 -6.586 -7.249 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -14.938 -5.224 -6.148 1.00 0.00 H new ATOM 1340 N ASN A 87 -11.324 -6.307 -9.086 1.00 0.00 N ATOM 1341 CA ASN A 87 -10.252 -6.443 -10.056 1.00 0.00 C ATOM 1342 C ASN A 87 -9.129 -7.290 -9.454 1.00 0.00 C ATOM 1343 O ASN A 87 -8.117 -7.541 -10.106 1.00 0.00 O ATOM 1344 CB ASN A 87 -9.667 -5.078 -10.426 1.00 0.00 C ATOM 1345 CG ASN A 87 -9.025 -5.115 -11.814 1.00 0.00 C ATOM 1346 OD1 ASN A 87 -9.042 -3.947 -12.450 1.00 0.00 O flip ATOM 1347 ND2 ASN A 87 -8.545 -6.136 -12.278 1.00 0.00 N flip ATOM 0 H ASN A 87 -12.097 -6.960 -9.211 1.00 0.00 H new ATOM 0 HA ASN A 87 -10.664 -6.914 -10.949 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -10.453 -4.324 -10.405 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -8.923 -4.784 -9.685 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -8.565 -7.000 -11.737 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -8.124 -6.125 -13.207 1.00 0.00 H new ATOM 1354 N HIS A 88 -9.346 -7.708 -8.215 1.00 0.00 N ATOM 1355 CA HIS A 88 -8.366 -8.522 -7.517 1.00 0.00 C ATOM 1356 C HIS A 88 -7.142 -7.670 -7.174 1.00 0.00 C ATOM 1357 O HIS A 88 -6.008 -8.135 -7.278 1.00 0.00 O ATOM 1358 CB HIS A 88 -8.011 -9.766 -8.334 1.00 0.00 C ATOM 1359 CG HIS A 88 -8.035 -11.050 -7.540 1.00 0.00 C ATOM 1360 ND1 HIS A 88 -9.209 -11.686 -7.178 1.00 0.00 N ATOM 1361 CD2 HIS A 88 -7.016 -11.809 -7.043 1.00 0.00 C ATOM 1362 CE1 HIS A 88 -8.899 -12.778 -6.494 1.00 0.00 C ATOM 1363 NE2 HIS A 88 -7.540 -12.852 -6.411 1.00 0.00 N ATOM 0 H HIS A 88 -10.187 -7.498 -7.677 1.00 0.00 H new ATOM 0 HA HIS A 88 -8.790 -8.883 -6.580 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -8.709 -9.853 -9.167 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -7.018 -9.635 -8.763 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -5.962 -11.597 -7.146 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -9.600 -13.485 -6.076 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -7.013 -13.588 -5.941 1.00 0.00 H new ATOM 1371 N TYR A 89 -7.414 -6.437 -6.771 1.00 0.00 N ATOM 1372 CA TYR A 89 -6.349 -5.515 -6.412 1.00 0.00 C ATOM 1373 C TYR A 89 -6.642 -4.834 -5.074 1.00 0.00 C ATOM 1374 O TYR A 89 -7.757 -4.919 -4.561 1.00 0.00 O ATOM 1375 CB TYR A 89 -6.319 -4.455 -7.515 1.00 0.00 C ATOM 1376 CG TYR A 89 -5.608 -4.906 -8.792 1.00 0.00 C ATOM 1377 CD1 TYR A 89 -4.405 -5.576 -8.712 1.00 0.00 C ATOM 1378 CD2 TYR A 89 -6.170 -4.642 -10.025 1.00 0.00 C ATOM 1379 CE1 TYR A 89 -3.735 -6.001 -9.914 1.00 0.00 C ATOM 1380 CE2 TYR A 89 -5.501 -5.066 -11.227 1.00 0.00 C ATOM 1381 CZ TYR A 89 -4.316 -5.724 -11.113 1.00 0.00 C ATOM 1382 OH TYR A 89 -3.684 -6.125 -12.248 1.00 0.00 O ATOM 0 H TYR A 89 -8.356 -6.055 -6.685 1.00 0.00 H new ATOM 0 HA TYR A 89 -5.401 -6.043 -6.314 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.343 -4.173 -7.762 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.825 -3.561 -7.133 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.965 -5.782 -7.747 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.112 -4.117 -10.088 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -2.793 -6.527 -9.865 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -5.930 -4.866 -12.198 1.00 0.00 H new ATOM 0 HH TYR A 89 -4.214 -5.860 -13.029 1.00 0.00 H new ATOM 1392 N ASN A 90 -5.622 -4.174 -4.547 1.00 0.00 N ATOM 1393 CA ASN A 90 -5.756 -3.478 -3.278 1.00 0.00 C ATOM 1394 C ASN A 90 -5.631 -1.971 -3.512 1.00 0.00 C ATOM 1395 O ASN A 90 -5.330 -1.534 -4.621 1.00 0.00 O ATOM 1396 CB ASN A 90 -4.655 -3.897 -2.301 1.00 0.00 C ATOM 1397 CG ASN A 90 -4.541 -5.421 -2.225 1.00 0.00 C ATOM 1398 OD1 ASN A 90 -4.369 -6.107 -3.218 1.00 0.00 O ATOM 1399 ND2 ASN A 90 -4.647 -5.910 -0.992 1.00 0.00 N ATOM 0 H ASN A 90 -4.699 -4.106 -4.975 1.00 0.00 H new ATOM 0 HA ASN A 90 -6.729 -3.731 -2.856 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.702 -3.473 -2.617 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -4.870 -3.495 -1.311 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -4.585 -6.916 -0.835 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -4.790 -5.279 -0.204 1.00 0.00 H new ATOM 1406 N THR A 91 -5.871 -1.218 -2.448 1.00 0.00 N ATOM 1407 CA THR A 91 -5.789 0.231 -2.524 1.00 0.00 C ATOM 1408 C THR A 91 -5.137 0.795 -1.260 1.00 0.00 C ATOM 1409 O THR A 91 -4.989 0.087 -0.265 1.00 0.00 O ATOM 1410 CB THR A 91 -7.199 0.771 -2.773 1.00 0.00 C ATOM 1411 OG1 THR A 91 -8.034 -0.051 -1.963 1.00 0.00 O ATOM 1412 CG2 THR A 91 -7.684 0.505 -4.200 1.00 0.00 C ATOM 0 H THR A 91 -6.122 -1.584 -1.530 1.00 0.00 H new ATOM 0 HA THR A 91 -5.152 0.549 -3.350 1.00 0.00 H new ATOM 0 HB THR A 91 -7.217 1.843 -2.578 1.00 0.00 H new ATOM 0 HG1 THR A 91 -8.861 0.430 -1.752 1.00 0.00 H new ATOM 0 HG21 THR A 91 -8.689 0.908 -4.324 1.00 0.00 H new ATOM 0 HG22 THR A 91 -7.010 0.986 -4.909 1.00 0.00 H new ATOM 0 HG23 THR A 91 -7.698 -0.569 -4.385 1.00 0.00 H new ATOM 1420 N TYR A 92 -4.765 2.064 -1.340 1.00 0.00 N ATOM 1421 CA TYR A 92 -4.132 2.731 -0.215 1.00 0.00 C ATOM 1422 C TYR A 92 -4.509 4.213 -0.174 1.00 0.00 C ATOM 1423 O TYR A 92 -4.459 4.899 -1.194 1.00 0.00 O ATOM 1424 CB TYR A 92 -2.625 2.607 -0.445 1.00 0.00 C ATOM 1425 CG TYR A 92 -2.136 1.166 -0.602 1.00 0.00 C ATOM 1426 CD1 TYR A 92 -2.506 0.207 0.318 1.00 0.00 C ATOM 1427 CD2 TYR A 92 -1.324 0.824 -1.665 1.00 0.00 C ATOM 1428 CE1 TYR A 92 -2.046 -1.150 0.170 1.00 0.00 C ATOM 1429 CE2 TYR A 92 -0.864 -0.532 -1.814 1.00 0.00 C ATOM 1430 CZ TYR A 92 -1.248 -1.452 -0.888 1.00 0.00 C ATOM 1431 OH TYR A 92 -0.813 -2.733 -1.028 1.00 0.00 O ATOM 0 H TYR A 92 -4.890 2.648 -2.167 1.00 0.00 H new ATOM 0 HA TYR A 92 -4.450 2.282 0.726 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -2.357 3.170 -1.339 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -2.101 3.069 0.392 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -3.141 0.474 1.150 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -1.034 1.574 -2.385 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -2.329 -1.910 0.883 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -0.229 -0.812 -2.641 1.00 0.00 H new ATOM 0 HH TYR A 92 -0.461 -2.862 -1.934 1.00 0.00 H new ATOM 1441 N ILE A 93 -4.879 4.664 1.015 1.00 0.00 N ATOM 1442 CA ILE A 93 -5.265 6.052 1.203 1.00 0.00 C ATOM 1443 C ILE A 93 -4.638 6.581 2.495 1.00 0.00 C ATOM 1444 O ILE A 93 -4.659 5.904 3.522 1.00 0.00 O ATOM 1445 CB ILE A 93 -6.787 6.197 1.153 1.00 0.00 C ATOM 1446 CG1 ILE A 93 -7.322 5.886 -0.246 1.00 0.00 C ATOM 1447 CG2 ILE A 93 -7.222 7.581 1.639 1.00 0.00 C ATOM 1448 CD1 ILE A 93 -8.799 5.491 -0.193 1.00 0.00 C ATOM 0 H ILE A 93 -4.920 4.092 1.859 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.883 6.667 0.388 1.00 0.00 H new ATOM 0 HB ILE A 93 -7.222 5.465 1.834 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -7.198 6.758 -0.889 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -6.741 5.077 -0.690 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -8.308 7.658 1.593 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -6.891 7.726 2.667 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.777 8.346 1.003 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -9.154 5.275 -1.201 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -8.916 4.605 0.431 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -9.380 6.311 0.229 1.00 0.00 H new ATOM 1460 N SER A 94 -4.096 7.786 2.402 1.00 0.00 N ATOM 1461 CA SER A 94 -3.465 8.414 3.551 1.00 0.00 C ATOM 1462 C SER A 94 -4.504 8.665 4.646 1.00 0.00 C ATOM 1463 O SER A 94 -5.626 9.077 4.360 1.00 0.00 O ATOM 1464 CB SER A 94 -2.783 9.725 3.157 1.00 0.00 C ATOM 1465 OG SER A 94 -1.587 9.948 3.899 1.00 0.00 O ATOM 0 H SER A 94 -4.081 8.345 1.549 1.00 0.00 H new ATOM 0 HA SER A 94 -2.700 7.738 3.932 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.551 9.707 2.092 1.00 0.00 H new ATOM 0 HB3 SER A 94 -3.471 10.555 3.320 1.00 0.00 H new ATOM 0 HG SER A 94 -0.875 9.369 3.554 1.00 0.00 H new ATOM 1471 N LYS A 95 -4.092 8.404 5.878 1.00 0.00 N ATOM 1472 CA LYS A 95 -4.973 8.597 7.018 1.00 0.00 C ATOM 1473 C LYS A 95 -5.297 10.085 7.161 1.00 0.00 C ATOM 1474 O LYS A 95 -6.436 10.498 6.952 1.00 0.00 O ATOM 1475 CB LYS A 95 -4.363 7.976 8.277 1.00 0.00 C ATOM 1476 CG LYS A 95 -5.402 7.153 9.041 1.00 0.00 C ATOM 1477 CD LYS A 95 -5.228 7.316 10.552 1.00 0.00 C ATOM 1478 CE LYS A 95 -4.367 6.190 11.129 1.00 0.00 C ATOM 1479 NZ LYS A 95 -3.608 6.670 12.306 1.00 0.00 N ATOM 0 H LYS A 95 -3.160 8.061 6.112 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.919 8.079 6.861 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -3.521 7.341 8.002 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -3.971 8.763 8.922 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -6.405 7.467 8.751 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -5.307 6.101 8.772 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -4.765 8.279 10.767 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -6.205 7.317 11.036 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -5.000 5.350 11.415 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -3.677 5.825 10.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -2.605 6.777 12.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -3.987 7.588 12.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -3.698 5.982 13.081 1.00 0.00 H new ATOM 1493 N LYS A 96 -4.275 10.849 7.516 1.00 0.00 N ATOM 1494 CA LYS A 96 -4.437 12.283 7.690 1.00 0.00 C ATOM 1495 C LYS A 96 -5.127 12.867 6.456 1.00 0.00 C ATOM 1496 O LYS A 96 -5.840 13.864 6.552 1.00 0.00 O ATOM 1497 CB LYS A 96 -3.092 12.939 8.010 1.00 0.00 C ATOM 1498 CG LYS A 96 -3.143 13.663 9.358 1.00 0.00 C ATOM 1499 CD LYS A 96 -1.742 14.087 9.805 1.00 0.00 C ATOM 1500 CE LYS A 96 -1.786 14.756 11.180 1.00 0.00 C ATOM 1501 NZ LYS A 96 -0.536 15.508 11.430 1.00 0.00 N ATOM 0 H LYS A 96 -3.331 10.502 7.688 1.00 0.00 H new ATOM 0 HA LYS A 96 -5.080 12.493 8.545 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -2.309 12.181 8.029 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.832 13.646 7.223 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -3.785 14.540 9.280 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -3.586 13.010 10.109 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -1.088 13.216 9.841 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -1.316 14.775 9.075 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -2.641 15.430 11.236 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -1.924 14.001 11.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.582 15.956 12.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 0.274 14.856 11.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -0.420 16.241 10.701 1.00 0.00 H new ATOM 1515 N HIS A 97 -4.891 12.220 5.323 1.00 0.00 N ATOM 1516 CA HIS A 97 -5.481 12.663 4.072 1.00 0.00 C ATOM 1517 C HIS A 97 -6.344 11.543 3.487 1.00 0.00 C ATOM 1518 O HIS A 97 -6.097 11.082 2.373 1.00 0.00 O ATOM 1519 CB HIS A 97 -4.401 13.146 3.103 1.00 0.00 C ATOM 1520 CG HIS A 97 -3.227 13.817 3.776 1.00 0.00 C ATOM 1521 ND1 HIS A 97 -2.491 13.444 4.863 1.00 0.00 N flip ATOM 1522 CD2 HIS A 97 -2.694 15.015 3.335 1.00 0.00 C flip ATOM 1523 CE1 HIS A 97 -1.558 14.365 5.073 1.00 0.00 C flip ATOM 1524 NE2 HIS A 97 -1.683 15.340 4.127 1.00 0.00 N flip ATOM 0 H HIS A 97 -4.299 11.393 5.246 1.00 0.00 H new ATOM 0 HA HIS A 97 -6.131 13.518 4.255 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -4.038 12.295 2.526 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -4.848 13.844 2.395 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -3.043 15.588 2.489 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -0.821 14.346 5.863 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -1.100 16.173 4.044 1.00 0.00 H new ATOM 1532 N ALA A 98 -7.337 11.137 4.264 1.00 0.00 N ATOM 1533 CA ALA A 98 -8.237 10.079 3.837 1.00 0.00 C ATOM 1534 C ALA A 98 -9.554 10.698 3.361 1.00 0.00 C ATOM 1535 O ALA A 98 -10.023 10.400 2.264 1.00 0.00 O ATOM 1536 CB ALA A 98 -8.440 9.087 4.983 1.00 0.00 C ATOM 0 H ALA A 98 -7.538 11.522 5.187 1.00 0.00 H new ATOM 0 HA ALA A 98 -7.810 9.526 3.000 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -9.115 8.294 4.662 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -7.480 8.655 5.264 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -8.870 9.605 5.840 1.00 0.00 H new ATOM 1542 N GLU A 99 -10.113 11.547 4.211 1.00 0.00 N ATOM 1543 CA GLU A 99 -11.366 12.210 3.891 1.00 0.00 C ATOM 1544 C GLU A 99 -11.249 12.950 2.557 1.00 0.00 C ATOM 1545 O GLU A 99 -12.256 13.219 1.903 1.00 0.00 O ATOM 1546 CB GLU A 99 -11.783 13.163 5.013 1.00 0.00 C ATOM 1547 CG GLU A 99 -12.353 12.391 6.204 1.00 0.00 C ATOM 1548 CD GLU A 99 -11.297 12.210 7.296 1.00 0.00 C ATOM 1549 OE1 GLU A 99 -10.284 11.540 7.000 1.00 0.00 O ATOM 1550 OE2 GLU A 99 -11.526 12.745 8.402 1.00 0.00 O ATOM 0 H GLU A 99 -9.721 11.791 5.121 1.00 0.00 H new ATOM 0 HA GLU A 99 -12.143 11.451 3.796 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -10.923 13.751 5.334 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -12.528 13.866 4.640 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -13.213 12.924 6.610 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -12.710 11.416 5.873 1.00 0.00 H new ATOM 1557 N LYS A 100 -10.013 13.257 2.193 1.00 0.00 N ATOM 1558 CA LYS A 100 -9.753 13.961 0.949 1.00 0.00 C ATOM 1559 C LYS A 100 -9.845 12.976 -0.218 1.00 0.00 C ATOM 1560 O LYS A 100 -9.658 13.356 -1.373 1.00 0.00 O ATOM 1561 CB LYS A 100 -8.417 14.703 1.023 1.00 0.00 C ATOM 1562 CG LYS A 100 -8.372 15.632 2.238 1.00 0.00 C ATOM 1563 CD LYS A 100 -7.777 16.992 1.868 1.00 0.00 C ATOM 1564 CE LYS A 100 -8.880 18.001 1.539 1.00 0.00 C ATOM 1565 NZ LYS A 100 -8.321 19.158 0.804 1.00 0.00 N ATOM 0 H LYS A 100 -9.181 13.031 2.738 1.00 0.00 H new ATOM 0 HA LYS A 100 -10.509 14.728 0.780 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.600 13.984 1.080 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -8.268 15.283 0.112 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -9.378 15.767 2.634 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.777 15.174 3.028 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.172 17.365 2.694 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.113 16.881 1.011 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -9.653 17.521 0.939 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -9.355 18.342 2.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -9.082 19.833 0.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -7.599 19.625 1.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -7.888 18.830 -0.083 1.00 0.00 H new ATOM 1579 N ASN A 101 -10.132 11.728 0.124 1.00 0.00 N ATOM 1580 CA ASN A 101 -10.251 10.686 -0.881 1.00 0.00 C ATOM 1581 C ASN A 101 -9.090 10.802 -1.871 1.00 0.00 C ATOM 1582 O ASN A 101 -9.300 11.079 -3.050 1.00 0.00 O ATOM 1583 CB ASN A 101 -11.557 10.824 -1.667 1.00 0.00 C ATOM 1584 CG ASN A 101 -12.632 11.515 -0.826 1.00 0.00 C ATOM 1585 OD1 ASN A 101 -13.220 10.937 0.073 1.00 0.00 O ATOM 1586 ND2 ASN A 101 -12.855 12.781 -1.167 1.00 0.00 N ATOM 0 H ASN A 101 -10.285 11.416 1.083 1.00 0.00 H new ATOM 0 HA ASN A 101 -10.237 9.723 -0.370 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -11.379 11.396 -2.578 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -11.907 9.838 -1.973 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -13.554 13.329 -0.665 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -12.327 13.204 -1.930 1.00 0.00 H new ATOM 1593 N TRP A 102 -7.890 10.583 -1.353 1.00 0.00 N ATOM 1594 CA TRP A 102 -6.695 10.660 -2.176 1.00 0.00 C ATOM 1595 C TRP A 102 -6.116 9.249 -2.302 1.00 0.00 C ATOM 1596 O TRP A 102 -5.966 8.545 -1.304 1.00 0.00 O ATOM 1597 CB TRP A 102 -5.697 11.667 -1.602 1.00 0.00 C ATOM 1598 CG TRP A 102 -6.144 13.125 -1.724 1.00 0.00 C ATOM 1599 CD1 TRP A 102 -7.238 13.605 -2.330 1.00 0.00 C ATOM 1600 CD2 TRP A 102 -5.458 14.281 -1.198 1.00 0.00 C ATOM 1601 NE1 TRP A 102 -7.308 14.980 -2.234 1.00 0.00 N ATOM 1602 CE2 TRP A 102 -6.191 15.404 -1.525 1.00 0.00 C ATOM 1603 CE3 TRP A 102 -4.258 14.375 -0.472 1.00 0.00 C ATOM 1604 CZ2 TRP A 102 -5.806 16.702 -1.166 1.00 0.00 C ATOM 1605 CZ3 TRP A 102 -3.887 15.679 -0.121 1.00 0.00 C ATOM 1606 CH2 TRP A 102 -4.614 16.820 -0.441 1.00 0.00 C ATOM 0 H TRP A 102 -7.720 10.352 -0.374 1.00 0.00 H new ATOM 0 HA TRP A 102 -6.937 11.027 -3.173 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -5.528 11.436 -0.550 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -4.741 11.547 -2.112 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -7.973 12.993 -2.831 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -8.044 15.575 -2.614 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -3.669 13.510 -0.206 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -6.397 17.565 -1.434 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -2.972 15.807 0.438 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -4.261 17.793 -0.132 1.00 0.00 H new ATOM 1617 N PHE A 103 -5.806 8.879 -3.535 1.00 0.00 N ATOM 1618 CA PHE A 103 -5.246 7.565 -3.804 1.00 0.00 C ATOM 1619 C PHE A 103 -3.810 7.676 -4.320 1.00 0.00 C ATOM 1620 O PHE A 103 -3.480 8.608 -5.051 1.00 0.00 O ATOM 1621 CB PHE A 103 -6.116 6.921 -4.885 1.00 0.00 C ATOM 1622 CG PHE A 103 -7.564 6.677 -4.456 1.00 0.00 C ATOM 1623 CD1 PHE A 103 -7.904 5.513 -3.840 1.00 0.00 C ATOM 1624 CD2 PHE A 103 -8.512 7.625 -4.689 1.00 0.00 C ATOM 1625 CE1 PHE A 103 -9.248 5.287 -3.441 1.00 0.00 C ATOM 1626 CE2 PHE A 103 -9.855 7.399 -4.290 1.00 0.00 C ATOM 1627 CZ PHE A 103 -10.195 6.234 -3.674 1.00 0.00 C ATOM 0 H PHE A 103 -5.932 9.466 -4.360 1.00 0.00 H new ATOM 0 HA PHE A 103 -5.230 6.973 -2.889 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -6.112 7.560 -5.768 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -5.670 5.971 -5.178 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -7.152 4.761 -3.654 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -8.242 8.550 -5.178 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -9.518 4.362 -2.952 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -10.607 8.151 -4.475 1.00 0.00 H new ATOM 0 HZ PHE A 103 -11.217 6.062 -3.370 1.00 0.00 H new ATOM 1637 N VAL A 104 -2.996 6.710 -3.920 1.00 0.00 N ATOM 1638 CA VAL A 104 -1.603 6.688 -4.333 1.00 0.00 C ATOM 1639 C VAL A 104 -1.529 6.548 -5.855 1.00 0.00 C ATOM 1640 O VAL A 104 -1.418 7.544 -6.568 1.00 0.00 O ATOM 1641 CB VAL A 104 -0.856 5.576 -3.594 1.00 0.00 C ATOM 1642 CG1 VAL A 104 0.555 5.394 -4.158 1.00 0.00 C ATOM 1643 CG2 VAL A 104 -0.814 5.850 -2.089 1.00 0.00 C ATOM 0 H VAL A 104 -3.274 5.938 -3.315 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.111 7.624 -4.068 1.00 0.00 H new ATOM 0 HB VAL A 104 -1.401 4.645 -3.750 1.00 0.00 H new ATOM 0 HG11 VAL A 104 1.064 4.598 -3.615 1.00 0.00 H new ATOM 0 HG12 VAL A 104 0.494 5.131 -5.214 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.114 6.323 -4.047 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -0.278 5.045 -1.587 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -0.304 6.795 -1.905 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -1.831 5.905 -1.701 1.00 0.00 H new ATOM 1653 N GLY A 105 -1.593 5.305 -6.307 1.00 0.00 N ATOM 1654 CA GLY A 105 -1.535 5.022 -7.731 1.00 0.00 C ATOM 1655 C GLY A 105 -0.333 5.714 -8.379 1.00 0.00 C ATOM 1656 O GLY A 105 0.357 6.501 -7.733 1.00 0.00 O ATOM 0 H GLY A 105 -1.685 4.482 -5.712 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -1.468 3.946 -7.889 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -2.455 5.358 -8.210 1.00 0.00 H new ATOM 1660 N LEU A 106 -0.120 5.394 -9.647 1.00 0.00 N ATOM 1661 CA LEU A 106 0.986 5.975 -10.389 1.00 0.00 C ATOM 1662 C LEU A 106 0.516 6.332 -11.800 1.00 0.00 C ATOM 1663 O LEU A 106 -0.122 5.521 -12.470 1.00 0.00 O ATOM 1664 CB LEU A 106 2.198 5.042 -10.362 1.00 0.00 C ATOM 1665 CG LEU A 106 2.816 4.784 -8.986 1.00 0.00 C ATOM 1666 CD1 LEU A 106 3.442 3.390 -8.918 1.00 0.00 C ATOM 1667 CD2 LEU A 106 3.818 5.881 -8.621 1.00 0.00 C ATOM 0 H LEU A 106 -0.694 4.740 -10.179 1.00 0.00 H new ATOM 0 HA LEU A 106 1.316 6.901 -9.919 1.00 0.00 H new ATOM 0 HB2 LEU A 106 1.904 4.084 -10.791 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.967 5.460 -11.011 1.00 0.00 H new ATOM 0 HG LEU A 106 2.019 4.815 -8.243 1.00 0.00 H new ATOM 0 HD11 LEU A 106 3.874 3.233 -7.930 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.675 2.637 -9.103 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.224 3.305 -9.673 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.243 5.674 -7.639 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.616 5.907 -9.363 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.310 6.845 -8.601 1.00 0.00 H new ATOM 1679 N LYS A 107 0.850 7.547 -12.211 1.00 0.00 N ATOM 1680 CA LYS A 107 0.470 8.021 -13.531 1.00 0.00 C ATOM 1681 C LYS A 107 0.966 7.030 -14.586 1.00 0.00 C ATOM 1682 O LYS A 107 1.421 5.937 -14.252 1.00 0.00 O ATOM 1683 CB LYS A 107 0.966 9.452 -13.750 1.00 0.00 C ATOM 1684 CG LYS A 107 0.380 10.401 -12.703 1.00 0.00 C ATOM 1685 CD LYS A 107 0.661 11.860 -13.067 1.00 0.00 C ATOM 1686 CE LYS A 107 -0.614 12.701 -12.984 1.00 0.00 C ATOM 1687 NZ LYS A 107 -0.286 14.144 -13.013 1.00 0.00 N ATOM 0 H LYS A 107 1.379 8.217 -11.653 1.00 0.00 H new ATOM 0 HA LYS A 107 -0.615 8.067 -13.621 1.00 0.00 H new ATOM 0 HB2 LYS A 107 2.055 9.475 -13.699 1.00 0.00 H new ATOM 0 HB3 LYS A 107 0.687 9.789 -14.748 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -0.696 10.243 -12.625 1.00 0.00 H new ATOM 0 HG3 LYS A 107 0.807 10.178 -11.725 1.00 0.00 H new ATOM 0 HD2 LYS A 107 1.415 12.268 -12.393 1.00 0.00 H new ATOM 0 HD3 LYS A 107 1.072 11.914 -14.075 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -1.274 12.455 -13.816 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -1.155 12.463 -12.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -1.163 14.701 -12.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 0.326 14.377 -12.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 0.210 14.370 -13.899 1.00 0.00 H new ATOM 1701 N LYS A 108 0.860 7.448 -15.840 1.00 0.00 N ATOM 1702 CA LYS A 108 1.292 6.611 -16.946 1.00 0.00 C ATOM 1703 C LYS A 108 2.706 7.018 -17.367 1.00 0.00 C ATOM 1704 O LYS A 108 3.334 6.343 -18.181 1.00 0.00 O ATOM 1705 CB LYS A 108 0.273 6.661 -18.086 1.00 0.00 C ATOM 1706 CG LYS A 108 -0.615 5.415 -18.082 1.00 0.00 C ATOM 1707 CD LYS A 108 -1.685 5.502 -19.172 1.00 0.00 C ATOM 1708 CE LYS A 108 -2.812 6.451 -18.760 1.00 0.00 C ATOM 1709 NZ LYS A 108 -3.808 6.576 -19.848 1.00 0.00 N ATOM 0 H LYS A 108 0.481 8.355 -16.114 1.00 0.00 H new ATOM 0 HA LYS A 108 1.339 5.567 -16.637 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -0.345 7.553 -17.987 1.00 0.00 H new ATOM 0 HB3 LYS A 108 0.793 6.738 -19.041 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -0.003 4.527 -18.238 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -1.091 5.306 -17.108 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -1.234 5.849 -20.102 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -2.093 4.510 -19.366 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -3.296 6.080 -17.857 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -2.401 7.432 -18.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -4.566 7.224 -19.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -3.345 6.951 -20.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -4.213 5.641 -20.057 1.00 0.00 H new ATOM 1723 N ASN A 109 3.165 8.121 -16.793 1.00 0.00 N ATOM 1724 CA ASN A 109 4.492 8.626 -17.098 1.00 0.00 C ATOM 1725 C ASN A 109 5.503 8.013 -16.127 1.00 0.00 C ATOM 1726 O ASN A 109 6.639 8.474 -16.034 1.00 0.00 O ATOM 1727 CB ASN A 109 4.552 10.147 -16.943 1.00 0.00 C ATOM 1728 CG ASN A 109 5.333 10.785 -18.094 1.00 0.00 C ATOM 1729 OD1 ASN A 109 5.513 10.207 -19.153 1.00 0.00 O ATOM 1730 ND2 ASN A 109 5.786 12.007 -17.827 1.00 0.00 N ATOM 0 H ASN A 109 2.641 8.679 -16.118 1.00 0.00 H new ATOM 0 HA ASN A 109 4.725 8.358 -18.129 1.00 0.00 H new ATOM 0 HB2 ASN A 109 3.541 10.553 -16.915 1.00 0.00 H new ATOM 0 HB3 ASN A 109 5.024 10.401 -15.994 1.00 0.00 H new ATOM 0 HD21 ASN A 109 6.320 12.518 -18.530 1.00 0.00 H new ATOM 0 HD22 ASN A 109 5.599 12.433 -16.919 1.00 0.00 H new ATOM 1737 N GLY A 110 5.052 6.982 -15.427 1.00 0.00 N ATOM 1738 CA GLY A 110 5.903 6.300 -14.466 1.00 0.00 C ATOM 1739 C GLY A 110 6.180 7.189 -13.252 1.00 0.00 C ATOM 1740 O GLY A 110 7.296 7.211 -12.736 1.00 0.00 O ATOM 0 H GLY A 110 4.109 6.602 -15.506 1.00 0.00 H new ATOM 0 HA2 GLY A 110 5.424 5.376 -14.143 1.00 0.00 H new ATOM 0 HA3 GLY A 110 6.844 6.023 -14.941 1.00 0.00 H new ATOM 1744 N SER A 111 5.144 7.899 -12.831 1.00 0.00 N ATOM 1745 CA SER A 111 5.262 8.787 -11.687 1.00 0.00 C ATOM 1746 C SER A 111 4.040 8.635 -10.778 1.00 0.00 C ATOM 1747 O SER A 111 3.029 8.063 -11.183 1.00 0.00 O ATOM 1748 CB SER A 111 5.413 10.243 -12.133 1.00 0.00 C ATOM 1749 OG SER A 111 6.738 10.728 -11.931 1.00 0.00 O ATOM 0 H SER A 111 4.219 7.878 -13.261 1.00 0.00 H new ATOM 0 HA SER A 111 6.158 8.511 -11.131 1.00 0.00 H new ATOM 0 HB2 SER A 111 5.153 10.328 -13.188 1.00 0.00 H new ATOM 0 HB3 SER A 111 4.710 10.866 -11.580 1.00 0.00 H new ATOM 0 HG SER A 111 6.794 11.660 -12.229 1.00 0.00 H new ATOM 1755 N CYS A 112 4.174 9.157 -9.568 1.00 0.00 N ATOM 1756 CA CYS A 112 3.093 9.087 -8.599 1.00 0.00 C ATOM 1757 C CYS A 112 1.979 10.032 -9.052 1.00 0.00 C ATOM 1758 O CYS A 112 2.245 11.163 -9.455 1.00 0.00 O ATOM 1759 CB CYS A 112 3.579 9.413 -7.185 1.00 0.00 C ATOM 1760 SG CYS A 112 4.201 11.133 -7.119 1.00 0.00 S ATOM 0 H CYS A 112 5.014 9.630 -9.236 1.00 0.00 H new ATOM 0 HA CYS A 112 2.707 8.069 -8.554 1.00 0.00 H new ATOM 0 HB2 CYS A 112 2.764 9.285 -6.473 1.00 0.00 H new ATOM 0 HB3 CYS A 112 4.369 8.720 -6.894 1.00 0.00 H new ATOM 0 HG CYS A 112 3.658 11.828 -8.074 1.00 0.00 H new ATOM 1766 N LYS A 113 0.754 9.534 -8.970 1.00 0.00 N ATOM 1767 CA LYS A 113 -0.402 10.320 -9.367 1.00 0.00 C ATOM 1768 C LYS A 113 -0.919 11.104 -8.159 1.00 0.00 C ATOM 1769 O LYS A 113 -1.223 10.520 -7.120 1.00 0.00 O ATOM 1770 CB LYS A 113 -1.459 9.427 -10.020 1.00 0.00 C ATOM 1771 CG LYS A 113 -2.718 10.227 -10.360 1.00 0.00 C ATOM 1772 CD LYS A 113 -3.887 9.296 -10.690 1.00 0.00 C ATOM 1773 CE LYS A 113 -4.596 9.740 -11.971 1.00 0.00 C ATOM 1774 NZ LYS A 113 -4.406 8.736 -13.042 1.00 0.00 N ATOM 0 H LYS A 113 0.537 8.596 -8.634 1.00 0.00 H new ATOM 0 HA LYS A 113 -0.124 11.051 -10.126 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -1.052 8.979 -10.927 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -1.715 8.608 -9.347 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -2.985 10.867 -9.519 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -2.519 10.882 -11.208 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -3.522 8.276 -10.807 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -4.596 9.288 -9.862 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -5.660 9.876 -11.777 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -4.205 10.705 -12.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -4.893 9.052 -13.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -3.391 8.626 -13.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -4.800 7.824 -12.736 1.00 0.00 H new ATOM 1788 N ARG A 114 -1.004 12.414 -8.336 1.00 0.00 N ATOM 1789 CA ARG A 114 -1.479 13.283 -7.273 1.00 0.00 C ATOM 1790 C ARG A 114 -2.586 12.591 -6.476 1.00 0.00 C ATOM 1791 O ARG A 114 -3.296 11.737 -7.005 1.00 0.00 O ATOM 1792 CB ARG A 114 -2.015 14.601 -7.837 1.00 0.00 C ATOM 1793 CG ARG A 114 -0.979 15.718 -7.697 1.00 0.00 C ATOM 1794 CD ARG A 114 -0.218 15.929 -9.008 1.00 0.00 C ATOM 1795 NE ARG A 114 -0.882 16.977 -9.815 1.00 0.00 N ATOM 1796 CZ ARG A 114 -0.684 18.292 -9.647 1.00 0.00 C ATOM 1797 NH1 ARG A 114 0.158 18.728 -8.701 1.00 0.00 N ATOM 1798 NH2 ARG A 114 -1.329 19.171 -10.426 1.00 0.00 N ATOM 0 H ARG A 114 -0.752 12.895 -9.200 1.00 0.00 H new ATOM 0 HA ARG A 114 -0.634 13.497 -6.618 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -2.276 14.472 -8.887 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -2.929 14.880 -7.313 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -1.475 16.644 -7.407 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -0.277 15.470 -6.901 1.00 0.00 H new ATOM 0 HD2 ARG A 114 0.812 16.218 -8.798 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -0.179 14.996 -9.570 1.00 0.00 H new ATOM 0 HE ARG A 114 -1.530 16.680 -10.544 1.00 0.00 H new ATOM 0 HH11 ARG A 114 0.649 18.059 -8.108 1.00 0.00 H new ATOM 0 HH12 ARG A 114 0.308 19.729 -8.574 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -1.970 18.839 -11.146 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -1.179 20.172 -10.298 1.00 0.00 H new ATOM 1812 N GLY A 115 -2.699 12.984 -5.216 1.00 0.00 N ATOM 1813 CA GLY A 115 -3.708 12.412 -4.341 1.00 0.00 C ATOM 1814 C GLY A 115 -5.098 12.959 -4.674 1.00 0.00 C ATOM 1815 O GLY A 115 -6.047 12.194 -4.836 1.00 0.00 O ATOM 0 H GLY A 115 -2.108 13.692 -4.780 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -3.707 11.327 -4.440 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -3.464 12.637 -3.303 1.00 0.00 H new ATOM 1819 N PRO A 116 -5.174 14.314 -4.769 1.00 0.00 N ATOM 1820 CA PRO A 116 -6.432 14.972 -5.080 1.00 0.00 C ATOM 1821 C PRO A 116 -6.782 14.814 -6.561 1.00 0.00 C ATOM 1822 O PRO A 116 -7.765 15.382 -7.034 1.00 0.00 O ATOM 1823 CB PRO A 116 -6.229 16.421 -4.669 1.00 0.00 C ATOM 1824 CG PRO A 116 -4.725 16.622 -4.578 1.00 0.00 C ATOM 1825 CD PRO A 116 -4.070 15.251 -4.583 1.00 0.00 C ATOM 0 HA PRO A 116 -7.278 14.536 -4.549 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -6.670 17.099 -5.399 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -6.709 16.626 -3.712 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -4.368 17.218 -5.418 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -4.467 17.165 -3.669 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -3.338 15.165 -5.386 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -3.542 15.061 -3.648 1.00 0.00 H new ATOM 1833 N ARG A 117 -5.958 14.039 -7.251 1.00 0.00 N ATOM 1834 CA ARG A 117 -6.168 13.799 -8.669 1.00 0.00 C ATOM 1835 C ARG A 117 -6.476 12.321 -8.917 1.00 0.00 C ATOM 1836 O ARG A 117 -6.004 11.740 -9.893 1.00 0.00 O ATOM 1837 CB ARG A 117 -4.937 14.200 -9.484 1.00 0.00 C ATOM 1838 CG ARG A 117 -4.693 15.708 -9.402 1.00 0.00 C ATOM 1839 CD ARG A 117 -4.814 16.359 -10.781 1.00 0.00 C ATOM 1840 NE ARG A 117 -4.514 17.806 -10.686 1.00 0.00 N ATOM 1841 CZ ARG A 117 -4.361 18.612 -11.745 1.00 0.00 C ATOM 1842 NH1 ARG A 117 -4.478 18.119 -12.985 1.00 0.00 N ATOM 1843 NH2 ARG A 117 -4.089 19.912 -11.564 1.00 0.00 N ATOM 0 H ARG A 117 -5.144 13.569 -6.855 1.00 0.00 H new ATOM 0 HA ARG A 117 -7.014 14.408 -8.987 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -4.062 13.666 -9.114 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -5.074 13.906 -10.525 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -5.412 16.160 -8.718 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -3.701 15.898 -8.992 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -4.126 15.882 -11.479 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -5.820 16.213 -11.174 1.00 0.00 H new ATOM 0 HE ARG A 117 -4.418 18.214 -9.756 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -4.684 17.130 -13.123 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -4.361 18.733 -13.791 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -3.999 20.287 -10.620 1.00 0.00 H new ATOM 0 HH22 ARG A 117 -3.972 20.526 -12.370 1.00 0.00 H new ATOM 1857 N THR A 118 -7.265 11.754 -8.016 1.00 0.00 N ATOM 1858 CA THR A 118 -7.641 10.355 -8.125 1.00 0.00 C ATOM 1859 C THR A 118 -9.164 10.208 -8.098 1.00 0.00 C ATOM 1860 O THR A 118 -9.878 11.161 -7.787 1.00 0.00 O ATOM 1861 CB THR A 118 -6.937 9.587 -7.004 1.00 0.00 C ATOM 1862 OG1 THR A 118 -7.162 10.384 -5.844 1.00 0.00 O ATOM 1863 CG2 THR A 118 -5.416 9.583 -7.164 1.00 0.00 C ATOM 0 H THR A 118 -7.654 12.238 -7.207 1.00 0.00 H new ATOM 0 HA THR A 118 -7.322 9.933 -9.078 1.00 0.00 H new ATOM 0 HB THR A 118 -7.302 8.560 -6.981 1.00 0.00 H new ATOM 0 HG1 THR A 118 -6.376 10.945 -5.675 1.00 0.00 H new ATOM 0 HG21 THR A 118 -4.965 9.025 -6.343 1.00 0.00 H new ATOM 0 HG22 THR A 118 -5.151 9.113 -8.111 1.00 0.00 H new ATOM 0 HG23 THR A 118 -5.046 10.608 -7.152 1.00 0.00 H new ATOM 1871 N HIS A 119 -9.617 9.008 -8.429 1.00 0.00 N ATOM 1872 CA HIS A 119 -11.042 8.724 -8.446 1.00 0.00 C ATOM 1873 C HIS A 119 -11.279 7.264 -8.056 1.00 0.00 C ATOM 1874 O HIS A 119 -10.380 6.433 -8.171 1.00 0.00 O ATOM 1875 CB HIS A 119 -11.650 9.082 -9.804 1.00 0.00 C ATOM 1876 CG HIS A 119 -11.689 10.565 -10.088 1.00 0.00 C ATOM 1877 ND1 HIS A 119 -11.004 11.145 -11.141 1.00 0.00 N ATOM 1878 CD2 HIS A 119 -12.339 11.578 -9.446 1.00 0.00 C ATOM 1879 CE1 HIS A 119 -11.237 12.449 -11.124 1.00 0.00 C ATOM 1880 NE2 HIS A 119 -12.064 12.716 -10.073 1.00 0.00 N ATOM 0 H HIS A 119 -9.022 8.221 -8.688 1.00 0.00 H new ATOM 0 HA HIS A 119 -11.550 9.347 -7.710 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -11.078 8.587 -10.589 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -12.665 8.687 -9.852 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -12.970 11.473 -8.576 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -10.841 13.174 -11.820 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -12.414 13.638 -9.812 1.00 0.00 H new ATOM 1888 N TYR A 120 -12.496 6.996 -7.604 1.00 0.00 N ATOM 1889 CA TYR A 120 -12.863 5.651 -7.197 1.00 0.00 C ATOM 1890 C TYR A 120 -13.444 4.861 -8.371 1.00 0.00 C ATOM 1891 O TYR A 120 -14.510 5.199 -8.884 1.00 0.00 O ATOM 1892 CB TYR A 120 -13.942 5.815 -6.124 1.00 0.00 C ATOM 1893 CG TYR A 120 -14.465 4.492 -5.561 1.00 0.00 C ATOM 1894 CD1 TYR A 120 -13.595 3.606 -4.959 1.00 0.00 C ATOM 1895 CD2 TYR A 120 -15.807 4.185 -5.654 1.00 0.00 C ATOM 1896 CE1 TYR A 120 -14.087 2.361 -4.428 1.00 0.00 C ATOM 1897 CE2 TYR A 120 -16.300 2.940 -5.123 1.00 0.00 C ATOM 1898 CZ TYR A 120 -15.415 2.090 -4.537 1.00 0.00 C ATOM 1899 OH TYR A 120 -15.880 0.914 -4.036 1.00 0.00 O ATOM 0 H TYR A 120 -13.240 7.688 -7.511 1.00 0.00 H new ATOM 0 HA TYR A 120 -11.990 5.109 -6.833 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -13.539 6.412 -5.306 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -14.777 6.374 -6.546 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -12.545 3.846 -4.886 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -16.488 4.878 -6.125 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -13.417 1.659 -3.954 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -17.348 2.688 -5.189 1.00 0.00 H new ATOM 0 HH TYR A 120 -16.847 0.855 -4.183 1.00 0.00 H new ATOM 1909 N GLY A 121 -12.717 3.826 -8.764 1.00 0.00 N ATOM 1910 CA GLY A 121 -13.147 2.986 -9.869 1.00 0.00 C ATOM 1911 C GLY A 121 -12.059 2.890 -10.941 1.00 0.00 C ATOM 1912 O GLY A 121 -12.238 2.215 -11.954 1.00 0.00 O ATOM 0 H GLY A 121 -11.833 3.550 -8.337 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -13.388 1.989 -9.500 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -14.059 3.393 -10.306 1.00 0.00 H new ATOM 1916 N GLN A 122 -10.956 3.576 -10.681 1.00 0.00 N ATOM 1917 CA GLN A 122 -9.839 3.577 -11.611 1.00 0.00 C ATOM 1918 C GLN A 122 -8.921 2.384 -11.340 1.00 0.00 C ATOM 1919 O GLN A 122 -8.878 1.871 -10.222 1.00 0.00 O ATOM 1920 CB GLN A 122 -9.064 4.894 -11.535 1.00 0.00 C ATOM 1921 CG GLN A 122 -9.999 6.092 -11.711 1.00 0.00 C ATOM 1922 CD GLN A 122 -9.263 7.274 -12.345 1.00 0.00 C ATOM 1923 OE1 GLN A 122 -8.954 8.242 -11.488 1.00 0.00 O flip ATOM 1924 NE2 GLN A 122 -8.993 7.304 -13.535 1.00 0.00 N flip ATOM 0 H GLN A 122 -10.812 4.135 -9.840 1.00 0.00 H new ATOM 0 HA GLN A 122 -10.234 3.483 -12.623 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -8.554 4.965 -10.574 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -8.295 4.912 -12.307 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -10.845 5.808 -12.336 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -10.403 6.388 -10.743 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -9.260 6.526 -14.138 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -8.501 8.107 -13.926 1.00 0.00 H new ATOM 1933 N LYS A 123 -8.210 1.976 -12.381 1.00 0.00 N ATOM 1934 CA LYS A 123 -7.296 0.853 -12.268 1.00 0.00 C ATOM 1935 C LYS A 123 -5.986 1.328 -11.634 1.00 0.00 C ATOM 1936 O LYS A 123 -5.098 0.522 -11.359 1.00 0.00 O ATOM 1937 CB LYS A 123 -7.110 0.175 -13.628 1.00 0.00 C ATOM 1938 CG LYS A 123 -6.713 -1.293 -13.459 1.00 0.00 C ATOM 1939 CD LYS A 123 -6.334 -1.917 -14.803 1.00 0.00 C ATOM 1940 CE LYS A 123 -7.276 -1.443 -15.912 1.00 0.00 C ATOM 1941 NZ LYS A 123 -6.795 -0.170 -16.493 1.00 0.00 N ATOM 0 H LYS A 123 -8.249 2.403 -13.306 1.00 0.00 H new ATOM 0 HA LYS A 123 -7.711 0.089 -11.610 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -8.035 0.242 -14.201 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -6.343 0.700 -14.198 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -5.873 -1.369 -12.769 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -7.540 -1.848 -13.017 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -5.307 -1.652 -15.055 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -6.373 -3.004 -14.727 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -7.342 -2.203 -16.691 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -8.281 -1.310 -15.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -7.428 0.604 -16.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -5.832 0.025 -16.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -6.787 -0.243 -17.530 1.00 0.00 H new ATOM 1955 N ALA A 124 -5.909 2.633 -11.422 1.00 0.00 N ATOM 1956 CA ALA A 124 -4.723 3.225 -10.825 1.00 0.00 C ATOM 1957 C ALA A 124 -4.712 2.930 -9.324 1.00 0.00 C ATOM 1958 O ALA A 124 -3.824 2.237 -8.830 1.00 0.00 O ATOM 1959 CB ALA A 124 -4.694 4.724 -11.126 1.00 0.00 C ATOM 0 H ALA A 124 -6.648 3.297 -11.653 1.00 0.00 H new ATOM 0 HA ALA A 124 -3.820 2.790 -11.253 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.805 5.168 -10.678 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.673 4.878 -12.205 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -5.584 5.196 -10.710 1.00 0.00 H new ATOM 1965 N ILE A 125 -5.708 3.472 -8.639 1.00 0.00 N ATOM 1966 CA ILE A 125 -5.824 3.277 -7.204 1.00 0.00 C ATOM 1967 C ILE A 125 -5.589 1.801 -6.875 1.00 0.00 C ATOM 1968 O ILE A 125 -5.157 1.469 -5.772 1.00 0.00 O ATOM 1969 CB ILE A 125 -7.163 3.814 -6.697 1.00 0.00 C ATOM 1970 CG1 ILE A 125 -8.300 2.838 -7.009 1.00 0.00 C ATOM 1971 CG2 ILE A 125 -7.440 5.212 -7.253 1.00 0.00 C ATOM 1972 CD1 ILE A 125 -9.644 3.391 -6.531 1.00 0.00 C ATOM 0 H ILE A 125 -6.443 4.047 -9.052 1.00 0.00 H new ATOM 0 HA ILE A 125 -5.059 3.848 -6.678 1.00 0.00 H new ATOM 0 HB ILE A 125 -7.105 3.904 -5.612 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -8.340 2.652 -8.082 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -8.105 1.880 -6.527 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -8.398 5.570 -6.877 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -6.649 5.892 -6.937 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -7.470 5.171 -8.342 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -10.435 2.678 -6.765 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -9.608 3.553 -5.454 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -9.848 4.337 -7.033 1.00 0.00 H new ATOM 1984 N LEU A 126 -5.883 0.955 -7.851 1.00 0.00 N ATOM 1985 CA LEU A 126 -5.709 -0.477 -7.678 1.00 0.00 C ATOM 1986 C LEU A 126 -4.215 -0.804 -7.647 1.00 0.00 C ATOM 1987 O LEU A 126 -3.469 -0.404 -8.539 1.00 0.00 O ATOM 1988 CB LEU A 126 -6.485 -1.244 -8.751 1.00 0.00 C ATOM 1989 CG LEU A 126 -7.987 -0.962 -8.824 1.00 0.00 C ATOM 1990 CD1 LEU A 126 -8.598 -1.569 -10.088 1.00 0.00 C ATOM 1991 CD2 LEU A 126 -8.697 -1.441 -7.556 1.00 0.00 C ATOM 0 H LEU A 126 -6.241 1.234 -8.765 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.126 -0.800 -6.724 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -6.045 -1.016 -9.722 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -6.344 -2.311 -8.580 1.00 0.00 H new ATOM 0 HG LEU A 126 -8.130 0.117 -8.884 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -9.666 -1.354 -10.115 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -8.119 -1.138 -10.967 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -8.445 -2.648 -10.084 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -9.763 -1.229 -7.634 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -8.548 -2.514 -7.439 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -8.286 -0.922 -6.690 1.00 0.00 H new ATOM 2003 N PHE A 127 -3.822 -1.529 -6.610 1.00 0.00 N ATOM 2004 CA PHE A 127 -2.431 -1.915 -6.450 1.00 0.00 C ATOM 2005 C PHE A 127 -2.311 -3.397 -6.089 1.00 0.00 C ATOM 2006 O PHE A 127 -3.134 -3.927 -5.343 1.00 0.00 O ATOM 2007 CB PHE A 127 -1.862 -1.075 -5.305 1.00 0.00 C ATOM 2008 CG PHE A 127 -1.021 0.117 -5.766 1.00 0.00 C ATOM 2009 CD1 PHE A 127 -0.204 -0.005 -6.847 1.00 0.00 C ATOM 2010 CD2 PHE A 127 -1.089 1.297 -5.094 1.00 0.00 C ATOM 2011 CE1 PHE A 127 0.576 1.102 -7.275 1.00 0.00 C ATOM 2012 CE2 PHE A 127 -0.308 2.404 -5.522 1.00 0.00 C ATOM 2013 CZ PHE A 127 0.508 2.282 -6.603 1.00 0.00 C ATOM 0 H PHE A 127 -4.444 -1.859 -5.872 1.00 0.00 H new ATOM 0 HA PHE A 127 -1.890 -1.751 -7.382 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -2.686 -0.710 -4.692 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -1.250 -1.714 -4.669 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -0.149 -0.943 -7.379 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -1.737 1.393 -4.235 1.00 0.00 H new ATOM 0 HE1 PHE A 127 1.223 1.006 -8.134 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -0.362 3.342 -4.989 1.00 0.00 H new ATOM 0 HZ PHE A 127 1.102 3.123 -6.928 1.00 0.00 H new ATOM 2023 N LEU A 128 -1.279 -4.025 -6.634 1.00 0.00 N ATOM 2024 CA LEU A 128 -1.040 -5.435 -6.378 1.00 0.00 C ATOM 2025 C LEU A 128 0.434 -5.643 -6.026 1.00 0.00 C ATOM 2026 O LEU A 128 1.313 -5.406 -6.853 1.00 0.00 O ATOM 2027 CB LEU A 128 -1.516 -6.282 -7.560 1.00 0.00 C ATOM 2028 CG LEU A 128 -2.400 -7.482 -7.213 1.00 0.00 C ATOM 2029 CD1 LEU A 128 -1.568 -8.761 -7.099 1.00 0.00 C ATOM 2030 CD2 LEU A 128 -3.216 -7.214 -5.947 1.00 0.00 C ATOM 0 H LEU A 128 -0.599 -3.583 -7.252 1.00 0.00 H new ATOM 0 HA LEU A 128 -1.623 -5.770 -5.520 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -2.066 -5.637 -8.245 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -0.640 -6.645 -8.097 1.00 0.00 H new ATOM 0 HG LEU A 128 -3.109 -7.631 -8.027 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -2.220 -9.599 -6.852 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -1.070 -8.957 -8.049 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -0.820 -8.640 -6.315 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -3.835 -8.082 -5.723 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -2.541 -7.025 -5.112 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -3.854 -6.344 -6.103 1.00 0.00 H new ATOM 2042 N PRO A 129 0.666 -6.095 -4.764 1.00 0.00 N ATOM 2043 CA PRO A 129 2.018 -6.337 -4.293 1.00 0.00 C ATOM 2044 C PRO A 129 2.587 -7.624 -4.895 1.00 0.00 C ATOM 2045 O PRO A 129 2.060 -8.710 -4.658 1.00 0.00 O ATOM 2046 CB PRO A 129 1.903 -6.391 -2.778 1.00 0.00 C ATOM 2047 CG PRO A 129 0.434 -6.641 -2.480 1.00 0.00 C ATOM 2048 CD PRO A 129 -0.351 -6.386 -3.757 1.00 0.00 C ATOM 0 HA PRO A 129 2.716 -5.557 -4.599 1.00 0.00 H new ATOM 0 HB2 PRO A 129 2.526 -7.186 -2.367 1.00 0.00 H new ATOM 0 HB3 PRO A 129 2.240 -5.457 -2.327 1.00 0.00 H new ATOM 0 HG2 PRO A 129 0.283 -7.665 -2.137 1.00 0.00 H new ATOM 0 HG3 PRO A 129 0.089 -5.983 -1.682 1.00 0.00 H new ATOM 0 HD2 PRO A 129 -0.947 -7.255 -4.036 1.00 0.00 H new ATOM 0 HD3 PRO A 129 -1.041 -5.551 -3.638 1.00 0.00 H new ATOM 2056 N LEU A 130 3.654 -7.459 -5.662 1.00 0.00 N ATOM 2057 CA LEU A 130 4.300 -8.594 -6.300 1.00 0.00 C ATOM 2058 C LEU A 130 5.373 -9.157 -5.365 1.00 0.00 C ATOM 2059 O LEU A 130 6.066 -8.402 -4.685 1.00 0.00 O ATOM 2060 CB LEU A 130 4.831 -8.202 -7.680 1.00 0.00 C ATOM 2061 CG LEU A 130 3.781 -8.040 -8.782 1.00 0.00 C ATOM 2062 CD1 LEU A 130 4.419 -7.537 -10.078 1.00 0.00 C ATOM 2063 CD2 LEU A 130 3.004 -9.341 -8.993 1.00 0.00 C ATOM 0 H LEU A 130 4.088 -6.557 -5.856 1.00 0.00 H new ATOM 0 HA LEU A 130 3.580 -9.393 -6.476 1.00 0.00 H new ATOM 0 HB2 LEU A 130 5.376 -7.263 -7.584 1.00 0.00 H new ATOM 0 HB3 LEU A 130 5.550 -8.957 -7.999 1.00 0.00 H new ATOM 0 HG LEU A 130 3.064 -7.284 -8.462 1.00 0.00 H new ATOM 0 HD11 LEU A 130 3.651 -7.431 -10.844 1.00 0.00 H new ATOM 0 HD12 LEU A 130 4.890 -6.570 -9.900 1.00 0.00 H new ATOM 0 HD13 LEU A 130 5.171 -8.251 -10.414 1.00 0.00 H new ATOM 0 HD21 LEU A 130 2.264 -9.199 -9.781 1.00 0.00 H new ATOM 0 HD22 LEU A 130 3.694 -10.134 -9.281 1.00 0.00 H new ATOM 0 HD23 LEU A 130 2.499 -9.618 -8.067 1.00 0.00 H new ATOM 2075 N PRO A 131 5.479 -10.512 -5.363 1.00 0.00 N ATOM 2076 CA PRO A 131 6.456 -11.185 -4.523 1.00 0.00 C ATOM 2077 C PRO A 131 7.866 -11.041 -5.099 1.00 0.00 C ATOM 2078 O PRO A 131 8.131 -11.481 -6.217 1.00 0.00 O ATOM 2079 CB PRO A 131 5.987 -12.629 -4.453 1.00 0.00 C ATOM 2080 CG PRO A 131 5.036 -12.815 -5.625 1.00 0.00 C ATOM 2081 CD PRO A 131 4.675 -11.438 -6.156 1.00 0.00 C ATOM 0 HA PRO A 131 6.521 -10.753 -3.524 1.00 0.00 H new ATOM 0 HB2 PRO A 131 6.830 -13.317 -4.521 1.00 0.00 H new ATOM 0 HB3 PRO A 131 5.485 -12.831 -3.507 1.00 0.00 H new ATOM 0 HG2 PRO A 131 5.505 -13.414 -6.406 1.00 0.00 H new ATOM 0 HG3 PRO A 131 4.140 -13.349 -5.308 1.00 0.00 H new ATOM 0 HD2 PRO A 131 4.903 -11.351 -7.218 1.00 0.00 H new ATOM 0 HD3 PRO A 131 3.610 -11.236 -6.041 1.00 0.00 H new ATOM 2089 N VAL A 132 8.733 -10.423 -4.310 1.00 0.00 N ATOM 2090 CA VAL A 132 10.109 -10.216 -4.728 1.00 0.00 C ATOM 2091 C VAL A 132 11.051 -10.793 -3.669 1.00 0.00 C ATOM 2092 O VAL A 132 10.758 -10.736 -2.476 1.00 0.00 O ATOM 2093 CB VAL A 132 10.354 -8.731 -5.002 1.00 0.00 C ATOM 2094 CG1 VAL A 132 10.728 -7.991 -3.716 1.00 0.00 C ATOM 2095 CG2 VAL A 132 11.428 -8.542 -6.075 1.00 0.00 C ATOM 0 H VAL A 132 8.509 -10.059 -3.384 1.00 0.00 H new ATOM 0 HA VAL A 132 10.309 -10.742 -5.662 1.00 0.00 H new ATOM 0 HB VAL A 132 9.425 -8.302 -5.378 1.00 0.00 H new ATOM 0 HG11 VAL A 132 10.897 -6.937 -3.938 1.00 0.00 H new ATOM 0 HG12 VAL A 132 9.917 -8.084 -2.994 1.00 0.00 H new ATOM 0 HG13 VAL A 132 11.637 -8.424 -3.298 1.00 0.00 H new ATOM 0 HG21 VAL A 132 11.583 -7.478 -6.251 1.00 0.00 H new ATOM 0 HG22 VAL A 132 12.361 -8.994 -5.739 1.00 0.00 H new ATOM 0 HG23 VAL A 132 11.106 -9.020 -7.000 1.00 0.00 H new ATOM 2105 N SER A 133 12.163 -11.334 -4.144 1.00 0.00 N ATOM 2106 CA SER A 133 13.150 -11.920 -3.254 1.00 0.00 C ATOM 2107 C SER A 133 12.687 -13.305 -2.798 1.00 0.00 C ATOM 2108 O SER A 133 13.266 -14.317 -3.190 1.00 0.00 O ATOM 2109 CB SER A 133 13.402 -11.020 -2.042 1.00 0.00 C ATOM 2110 OG SER A 133 14.672 -11.270 -1.447 1.00 0.00 O ATOM 0 H SER A 133 12.402 -11.379 -5.135 1.00 0.00 H new ATOM 0 HA SER A 133 14.087 -12.019 -3.801 1.00 0.00 H new ATOM 0 HB2 SER A 133 13.344 -9.975 -2.348 1.00 0.00 H new ATOM 0 HB3 SER A 133 12.617 -11.180 -1.302 1.00 0.00 H new ATOM 0 HG SER A 133 14.796 -10.675 -0.678 1.00 0.00 H new ATOM 2116 N SER A 134 11.646 -13.306 -1.978 1.00 0.00 N ATOM 2117 CA SER A 134 11.098 -14.551 -1.466 1.00 0.00 C ATOM 2118 C SER A 134 12.202 -15.372 -0.797 1.00 0.00 C ATOM 2119 O SER A 134 13.032 -15.974 -1.477 1.00 0.00 O ATOM 2120 CB SER A 134 10.435 -15.361 -2.581 1.00 0.00 C ATOM 2121 OG SER A 134 9.258 -16.026 -2.131 1.00 0.00 O ATOM 0 H SER A 134 11.168 -12.465 -1.656 1.00 0.00 H new ATOM 0 HA SER A 134 10.334 -14.310 -0.727 1.00 0.00 H new ATOM 0 HB2 SER A 134 10.183 -14.699 -3.409 1.00 0.00 H new ATOM 0 HB3 SER A 134 11.142 -16.096 -2.965 1.00 0.00 H new ATOM 0 HG SER A 134 8.864 -16.531 -2.873 1.00 0.00 H new ATOM 2127 N ASP A 135 12.177 -15.370 0.528 1.00 0.00 N ATOM 2128 CA ASP A 135 13.166 -16.108 1.296 1.00 0.00 C ATOM 2129 C ASP A 135 12.579 -16.468 2.662 1.00 0.00 C ATOM 2130 O ASP A 135 11.944 -15.635 3.308 1.00 0.00 O ATOM 2131 CB ASP A 135 14.422 -15.267 1.528 1.00 0.00 C ATOM 2132 CG ASP A 135 15.743 -15.987 1.248 1.00 0.00 C ATOM 2133 OD1 ASP A 135 15.839 -17.169 1.643 1.00 0.00 O ATOM 2134 OD2 ASP A 135 16.626 -15.339 0.647 1.00 0.00 O ATOM 0 H ASP A 135 11.488 -14.869 1.089 1.00 0.00 H new ATOM 0 HA ASP A 135 13.430 -17.004 0.734 1.00 0.00 H new ATOM 0 HB2 ASP A 135 14.368 -14.380 0.897 1.00 0.00 H new ATOM 0 HB3 ASP A 135 14.425 -14.923 2.562 1.00 0.00 H new ATOM 2139 N LEU A 136 12.811 -17.709 3.063 1.00 0.00 N ATOM 2140 CA LEU A 136 12.313 -18.189 4.340 1.00 0.00 C ATOM 2141 C LEU A 136 10.855 -17.758 4.509 1.00 0.00 C ATOM 2142 O LEU A 136 10.230 -17.286 3.561 1.00 0.00 O ATOM 2143 CB LEU A 136 13.226 -17.729 5.478 1.00 0.00 C ATOM 2144 CG LEU A 136 13.692 -18.818 6.447 1.00 0.00 C ATOM 2145 CD1 LEU A 136 15.204 -19.027 6.352 1.00 0.00 C ATOM 2146 CD2 LEU A 136 13.245 -18.507 7.877 1.00 0.00 C ATOM 0 H LEU A 136 13.338 -18.397 2.525 1.00 0.00 H new ATOM 0 HA LEU A 136 12.329 -19.278 4.370 1.00 0.00 H new ATOM 0 HB2 LEU A 136 14.107 -17.257 5.042 1.00 0.00 H new ATOM 0 HB3 LEU A 136 12.703 -16.962 6.049 1.00 0.00 H new ATOM 0 HG LEU A 136 13.219 -19.757 6.158 1.00 0.00 H new ATOM 0 HD11 LEU A 136 15.508 -19.806 7.051 1.00 0.00 H new ATOM 0 HD12 LEU A 136 15.467 -19.327 5.338 1.00 0.00 H new ATOM 0 HD13 LEU A 136 15.716 -18.097 6.600 1.00 0.00 H new ATOM 0 HD21 LEU A 136 13.589 -19.296 8.545 1.00 0.00 H new ATOM 0 HD22 LEU A 136 13.670 -17.554 8.192 1.00 0.00 H new ATOM 0 HD23 LEU A 136 12.157 -18.449 7.914 1.00 0.00 H new ATOM 2158 N GLU A 137 10.356 -17.936 5.724 1.00 0.00 N ATOM 2159 CA GLU A 137 8.983 -17.571 6.029 1.00 0.00 C ATOM 2160 C GLU A 137 8.568 -18.152 7.382 1.00 0.00 C ATOM 2161 O GLU A 137 8.177 -19.315 7.469 1.00 0.00 O ATOM 2162 CB GLU A 137 8.034 -18.030 4.920 1.00 0.00 C ATOM 2163 CG GLU A 137 7.539 -16.842 4.094 1.00 0.00 C ATOM 2164 CD GLU A 137 6.051 -16.983 3.768 1.00 0.00 C ATOM 2165 OE1 GLU A 137 5.240 -16.596 4.636 1.00 0.00 O ATOM 2166 OE2 GLU A 137 5.758 -17.475 2.656 1.00 0.00 O ATOM 0 H GLU A 137 10.878 -18.328 6.508 1.00 0.00 H new ATOM 0 HA GLU A 137 8.921 -16.484 6.088 1.00 0.00 H new ATOM 0 HB2 GLU A 137 8.545 -18.741 4.271 1.00 0.00 H new ATOM 0 HB3 GLU A 137 7.183 -18.552 5.358 1.00 0.00 H new ATOM 0 HG2 GLU A 137 7.708 -15.916 4.644 1.00 0.00 H new ATOM 0 HG3 GLU A 137 8.113 -16.773 3.170 1.00 0.00 H new ATOM 2173 N HIS A 138 8.666 -17.315 8.405 1.00 0.00 N ATOM 2174 CA HIS A 138 8.306 -17.731 9.749 1.00 0.00 C ATOM 2175 C HIS A 138 6.901 -18.337 9.740 1.00 0.00 C ATOM 2176 O HIS A 138 6.134 -18.120 8.803 1.00 0.00 O ATOM 2177 CB HIS A 138 8.443 -16.567 10.733 1.00 0.00 C ATOM 2178 CG HIS A 138 8.549 -16.993 12.178 1.00 0.00 C ATOM 2179 ND1 HIS A 138 9.089 -18.208 12.564 1.00 0.00 N ATOM 2180 CD2 HIS A 138 8.180 -16.354 13.325 1.00 0.00 C ATOM 2181 CE1 HIS A 138 9.040 -18.286 13.885 1.00 0.00 C ATOM 2182 NE2 HIS A 138 8.476 -17.137 14.355 1.00 0.00 N ATOM 0 H HIS A 138 8.990 -16.351 8.329 1.00 0.00 H new ATOM 0 HA HIS A 138 8.995 -18.503 10.091 1.00 0.00 H new ATOM 0 HB2 HIS A 138 9.327 -15.985 10.471 1.00 0.00 H new ATOM 0 HB3 HIS A 138 7.582 -15.907 10.622 1.00 0.00 H new ATOM 0 HD2 HIS A 138 7.724 -15.377 13.385 1.00 0.00 H new ATOM 0 HE1 HIS A 138 9.386 -19.115 14.485 1.00 0.00 H new ATOM 0 HE2 HIS A 138 8.309 -16.916 15.337 1.00 0.00 H new ATOM 2190 N HIS A 139 6.607 -19.084 10.794 1.00 0.00 N ATOM 2191 CA HIS A 139 5.308 -19.722 10.919 1.00 0.00 C ATOM 2192 C HIS A 139 5.189 -20.379 12.296 1.00 0.00 C ATOM 2193 O HIS A 139 6.197 -20.672 12.937 1.00 0.00 O ATOM 2194 CB HIS A 139 5.073 -20.706 9.771 1.00 0.00 C ATOM 2195 CG HIS A 139 5.955 -21.931 9.822 1.00 0.00 C ATOM 2196 ND1 HIS A 139 5.453 -23.209 10.003 1.00 0.00 N ATOM 2197 CD2 HIS A 139 7.308 -22.060 9.713 1.00 0.00 C ATOM 2198 CE1 HIS A 139 6.469 -24.060 10.003 1.00 0.00 C ATOM 2199 NE2 HIS A 139 7.617 -23.347 9.823 1.00 0.00 N ATOM 0 H HIS A 139 7.246 -19.262 11.569 1.00 0.00 H new ATOM 0 HA HIS A 139 4.522 -18.971 10.844 1.00 0.00 H new ATOM 0 HB2 HIS A 139 4.030 -21.021 9.784 1.00 0.00 H new ATOM 0 HB3 HIS A 139 5.238 -20.191 8.825 1.00 0.00 H new ATOM 0 HD2 HIS A 139 8.009 -21.253 9.563 1.00 0.00 H new ATOM 0 HE1 HIS A 139 6.400 -25.131 10.124 1.00 0.00 H new ATOM 0 HE2 HIS A 139 8.558 -23.738 9.780 1.00 0.00 H new ATOM 2207 N HIS A 140 3.948 -20.590 12.710 1.00 0.00 N ATOM 2208 CA HIS A 140 3.684 -21.207 13.999 1.00 0.00 C ATOM 2209 C HIS A 140 2.538 -22.211 13.863 1.00 0.00 C ATOM 2210 O HIS A 140 1.631 -22.018 13.055 1.00 0.00 O ATOM 2211 CB HIS A 140 3.416 -20.143 15.065 1.00 0.00 C ATOM 2212 CG HIS A 140 2.341 -19.153 14.688 1.00 0.00 C ATOM 2213 ND1 HIS A 140 1.032 -19.526 14.438 1.00 0.00 N ATOM 2214 CD2 HIS A 140 2.393 -17.800 14.521 1.00 0.00 C ATOM 2215 CE1 HIS A 140 0.337 -18.440 14.135 1.00 0.00 C ATOM 2216 NE2 HIS A 140 1.182 -17.371 14.187 1.00 0.00 N ATOM 0 H HIS A 140 3.114 -20.345 12.176 1.00 0.00 H new ATOM 0 HA HIS A 140 4.565 -21.757 14.330 1.00 0.00 H new ATOM 0 HB2 HIS A 140 3.131 -20.638 15.993 1.00 0.00 H new ATOM 0 HB3 HIS A 140 4.341 -19.601 15.264 1.00 0.00 H new ATOM 0 HD2 HIS A 140 3.271 -17.182 14.640 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -0.714 -18.407 13.890 1.00 0.00 H new ATOM 0 HE2 HIS A 140 0.926 -16.402 14.000 1.00 0.00 H new ATOM 2224 N HIS A 141 2.617 -23.263 14.665 1.00 0.00 N ATOM 2225 CA HIS A 141 1.598 -24.298 14.644 1.00 0.00 C ATOM 2226 C HIS A 141 0.364 -23.819 15.411 1.00 0.00 C ATOM 2227 O HIS A 141 -0.715 -23.682 14.835 1.00 0.00 O ATOM 2228 CB HIS A 141 2.154 -25.618 15.181 1.00 0.00 C ATOM 2229 CG HIS A 141 2.806 -25.504 16.538 1.00 0.00 C ATOM 2230 ND1 HIS A 141 4.080 -24.992 16.718 1.00 0.00 N ATOM 2231 CD2 HIS A 141 2.347 -25.838 17.779 1.00 0.00 C ATOM 2232 CE1 HIS A 141 4.365 -25.023 18.011 1.00 0.00 C ATOM 2233 NE2 HIS A 141 3.290 -25.548 18.667 1.00 0.00 N ATOM 0 H HIS A 141 3.371 -23.421 15.333 1.00 0.00 H new ATOM 0 HA HIS A 141 1.292 -24.491 13.616 1.00 0.00 H new ATOM 0 HB2 HIS A 141 1.344 -26.345 15.239 1.00 0.00 H new ATOM 0 HB3 HIS A 141 2.883 -26.009 14.471 1.00 0.00 H new ATOM 0 HD2 HIS A 141 1.380 -26.266 18.001 1.00 0.00 H new ATOM 0 HE1 HIS A 141 5.286 -24.691 18.466 1.00 0.00 H new ATOM 0 HE2 HIS A 141 3.222 -25.694 19.674 1.00 0.00 H new ATOM 2241 N HIS A 142 0.563 -23.577 16.698 1.00 0.00 N ATOM 2242 CA HIS A 142 -0.520 -23.116 17.549 1.00 0.00 C ATOM 2243 C HIS A 142 -1.647 -24.150 17.551 1.00 0.00 C ATOM 2244 O HIS A 142 -1.654 -25.067 16.732 1.00 0.00 O ATOM 2245 CB HIS A 142 -0.993 -21.725 17.122 1.00 0.00 C ATOM 2246 CG HIS A 142 -2.073 -21.145 18.003 1.00 0.00 C ATOM 2247 ND1 HIS A 142 -3.370 -20.940 17.563 1.00 0.00 N ATOM 2248 CD2 HIS A 142 -2.037 -20.731 19.302 1.00 0.00 C ATOM 2249 CE1 HIS A 142 -4.073 -20.425 18.561 1.00 0.00 C ATOM 2250 NE2 HIS A 142 -3.245 -20.295 19.637 1.00 0.00 N ATOM 0 H HIS A 142 1.459 -23.692 17.172 1.00 0.00 H new ATOM 0 HA HIS A 142 -0.163 -23.016 18.574 1.00 0.00 H new ATOM 0 HB2 HIS A 142 -0.139 -21.048 17.118 1.00 0.00 H new ATOM 0 HB3 HIS A 142 -1.363 -21.777 16.098 1.00 0.00 H new ATOM 0 HD2 HIS A 142 -1.172 -20.754 19.948 1.00 0.00 H new ATOM 0 HE1 HIS A 142 -5.118 -20.155 18.528 1.00 0.00 H new ATOM 0 HE2 HIS A 142 -3.510 -19.924 20.549 1.00 0.00 H new ATOM 2258 N HIS A 143 -2.573 -23.968 18.481 1.00 0.00 N ATOM 2259 CA HIS A 143 -3.703 -24.874 18.601 1.00 0.00 C ATOM 2260 C HIS A 143 -4.215 -25.241 17.207 1.00 0.00 C ATOM 2261 O HIS A 143 -4.012 -24.496 16.250 1.00 0.00 O ATOM 2262 CB HIS A 143 -4.790 -24.271 19.492 1.00 0.00 C ATOM 2263 CG HIS A 143 -5.038 -25.044 20.766 1.00 0.00 C ATOM 2264 ND1 HIS A 143 -5.369 -24.432 21.962 1.00 0.00 N ATOM 2265 CD2 HIS A 143 -5.000 -26.384 21.017 1.00 0.00 C ATOM 2266 CE1 HIS A 143 -5.520 -25.370 22.885 1.00 0.00 C ATOM 2267 NE2 HIS A 143 -5.291 -26.580 22.297 1.00 0.00 N ATOM 0 H HIS A 143 -2.564 -23.206 19.159 1.00 0.00 H new ATOM 0 HA HIS A 143 -3.385 -25.796 19.088 1.00 0.00 H new ATOM 0 HB2 HIS A 143 -4.510 -23.249 19.748 1.00 0.00 H new ATOM 0 HB3 HIS A 143 -5.720 -24.215 18.926 1.00 0.00 H new ATOM 0 HD2 HIS A 143 -4.772 -27.155 20.296 1.00 0.00 H new ATOM 0 HE1 HIS A 143 -5.779 -25.206 23.921 1.00 0.00 H new ATOM 0 HE2 HIS A 143 -5.336 -27.486 22.764 1.00 0.00 H new TER 2275 HIS A 143