USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 803 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 41 LYS NZ :NH3+ 170:sc= 1.49 (180deg=1.44) USER MOD Set 1.2: A 78 TYR OH : rot 37:sc= 1.07 USER MOD Set 2.1: A 8 GLN : amide:sc= -0.0975 K(o=-0.034,f=-1.6) USER MOD Set 2.2: A 26 TYR OH : rot 9:sc= 0.0524 USER MOD Set 2.3: A 28 SER OG : rot -136:sc= 0.0113 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -170:sc= -0.0249 (180deg=-0.193) USER MOD Single : A 2 GLN : amide:sc= -0.0021 K(o=-0.0021,f=-2) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0804 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 15:sc= 0 USER MOD Single : A 11 SER OG : rot 41:sc= 0.262 USER MOD Single : A 13 HIS : no HD1:sc= -0.199 X(o=-0.2,f=-0.64) USER MOD Single : A 17 ASN : amide:sc= 0.65 K(o=0.65,f=-4.7!) USER MOD Single : A 19 LYS NZ :NH3+ 140:sc= 0.0995 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0622 USER MOD Single : A 21 ASN : amide:sc= 0.385 K(o=0.38,f=-5.1!) USER MOD Single : A 24 ASN : amide:sc= -0.317 K(o=-0.32,f=-3.4!) USER MOD Single : A 31 HIS : no HD1:sc= -0.612 X(o=-0.61,f=-0.37) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.7 K(o=-0.7,f=-0.19) USER MOD Single : A 48 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0286) USER MOD Single : A 51 HIS : no HD1:sc= -0.243 X(o=-0.24,f=-0.2) USER MOD Single : A 52 SER OG : rot -36:sc= 0.541 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -57:sc= 0.374 USER MOD Single : A 63 TYR OH : rot 130:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= -0.873 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 79:sc= 0.144 USER MOD Single : A 71 THR OG1 : rot 180:sc=-0.00268 USER MOD Single : A 73 THR OG1 : rot 61:sc= 0.174 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= 0.441 K(o=0.44,f=-6.2!) USER MOD Single : A 84 HIS : no HD1:sc= -1.94! C(o=-1.9!,f=-9.3!) USER MOD Single : A 86 THR OG1 : rot -37:sc= -0.0133 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 91 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0683) USER MOD Single : A 94 LYS NZ :NH3+ -171:sc= 1.26 (180deg=1.05) USER MOD Single : A 99 MET CE :methyl -173:sc= 0 (180deg=-0.0954) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -9.128 -18.772 -2.755 1.00 0.00 N ATOM 2 CA MET A 0 -9.006 -20.163 -2.282 1.00 0.00 C ATOM 3 C MET A 0 -7.559 -20.637 -2.417 1.00 0.00 C ATOM 4 O MET A 0 -6.975 -20.443 -3.481 1.00 0.00 O ATOM 5 CB MET A 0 -9.924 -21.106 -3.074 1.00 0.00 C ATOM 6 CG MET A 0 -11.390 -20.662 -3.104 1.00 0.00 C ATOM 7 SD MET A 0 -12.478 -21.816 -3.979 1.00 0.00 S ATOM 8 CE MET A 0 -13.988 -20.821 -4.053 1.00 0.00 C ATOM 0 H1 MET A 0 -10.067 -18.402 -2.505 1.00 0.00 H new ATOM 0 H2 MET A 0 -8.395 -18.187 -2.306 1.00 0.00 H new ATOM 0 H3 MET A 0 -9.008 -18.745 -3.788 1.00 0.00 H new ATOM 0 HA MET A 0 -9.307 -20.185 -1.235 1.00 0.00 H new ATOM 0 HB2 MET A 0 -9.556 -21.181 -4.097 1.00 0.00 H new ATOM 0 HB3 MET A 0 -9.865 -22.104 -2.640 1.00 0.00 H new ATOM 0 HG2 MET A 0 -11.746 -20.544 -2.081 1.00 0.00 H new ATOM 0 HG3 MET A 0 -11.455 -19.683 -3.579 1.00 0.00 H new ATOM 0 HE1 MET A 0 -14.769 -21.383 -4.564 1.00 0.00 H new ATOM 0 HE2 MET A 0 -14.316 -20.582 -3.041 1.00 0.00 H new ATOM 0 HE3 MET A 0 -13.789 -19.898 -4.598 1.00 0.00 H new ATOM 20 N ILE A 1 -6.997 -21.239 -1.356 1.00 0.00 N ATOM 21 CA ILE A 1 -5.629 -21.761 -1.263 1.00 0.00 C ATOM 22 C ILE A 1 -4.603 -20.629 -1.155 1.00 0.00 C ATOM 23 O ILE A 1 -3.874 -20.517 -0.170 1.00 0.00 O ATOM 24 CB ILE A 1 -5.303 -22.816 -2.348 1.00 0.00 C ATOM 25 CG1 ILE A 1 -6.069 -24.146 -2.175 1.00 0.00 C ATOM 26 CG2 ILE A 1 -3.807 -23.170 -2.320 1.00 0.00 C ATOM 27 CD1 ILE A 1 -7.588 -24.061 -2.347 1.00 0.00 C ATOM 0 H ILE A 1 -7.518 -21.381 -0.491 1.00 0.00 H new ATOM 0 HA ILE A 1 -5.559 -22.318 -0.329 1.00 0.00 H new ATOM 0 HB ILE A 1 -5.604 -22.353 -3.288 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -5.679 -24.865 -2.895 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -5.855 -24.541 -1.182 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -3.594 -23.913 -3.089 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -3.217 -22.273 -2.509 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -3.547 -23.575 -1.342 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -8.026 -25.049 -2.205 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -8.000 -23.372 -1.609 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -7.821 -23.701 -3.349 1.00 0.00 H new ATOM 39 N GLN A 2 -4.575 -19.800 -2.191 1.00 0.00 N ATOM 40 CA GLN A 2 -3.805 -18.569 -2.313 1.00 0.00 C ATOM 41 C GLN A 2 -4.044 -17.684 -1.091 1.00 0.00 C ATOM 42 O GLN A 2 -5.195 -17.429 -0.736 1.00 0.00 O ATOM 43 CB GLN A 2 -4.262 -17.810 -3.566 1.00 0.00 C ATOM 44 CG GLN A 2 -3.886 -18.490 -4.889 1.00 0.00 C ATOM 45 CD GLN A 2 -2.439 -18.203 -5.286 1.00 0.00 C ATOM 46 OE1 GLN A 2 -1.505 -18.634 -4.615 1.00 0.00 O ATOM 47 NE2 GLN A 2 -2.251 -17.471 -6.386 1.00 0.00 N ATOM 0 H GLN A 2 -5.129 -19.984 -3.027 1.00 0.00 H new ATOM 0 HA GLN A 2 -2.746 -18.816 -2.385 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -5.345 -17.689 -3.528 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -3.828 -16.810 -3.549 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -4.031 -19.566 -4.798 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -4.554 -18.144 -5.678 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -3.054 -17.132 -6.916 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -1.305 -17.251 -6.697 1.00 0.00 H new ATOM 56 N ARG A 3 -2.967 -17.214 -0.451 1.00 0.00 N ATOM 57 CA ARG A 3 -3.079 -16.397 0.748 1.00 0.00 C ATOM 58 C ARG A 3 -3.388 -14.951 0.362 1.00 0.00 C ATOM 59 O ARG A 3 -2.766 -14.392 -0.541 1.00 0.00 O ATOM 60 CB ARG A 3 -1.824 -16.524 1.615 1.00 0.00 C ATOM 61 CG ARG A 3 -1.689 -17.966 2.124 1.00 0.00 C ATOM 62 CD ARG A 3 -0.415 -18.161 2.953 1.00 0.00 C ATOM 63 NE ARG A 3 -0.710 -18.289 4.391 1.00 0.00 N ATOM 64 CZ ARG A 3 -0.087 -17.650 5.398 1.00 0.00 C ATOM 65 NH1 ARG A 3 0.738 -16.621 5.168 1.00 0.00 N ATOM 66 NH2 ARG A 3 -0.299 -18.048 6.660 1.00 0.00 N ATOM 0 H ARG A 3 -2.008 -17.390 -0.750 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.908 -16.757 1.357 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -0.942 -16.248 1.037 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -1.881 -15.835 2.458 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -2.559 -18.220 2.729 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -1.679 -18.651 1.276 1.00 0.00 H new ATOM 0 HD2 ARG A 3 0.109 -19.053 2.609 1.00 0.00 H new ATOM 0 HD3 ARG A 3 0.255 -17.316 2.794 1.00 0.00 H new ATOM 0 HE ARG A 3 -1.463 -18.927 4.649 1.00 0.00 H new ATOM 0 HH11 ARG A 3 0.906 -16.306 4.213 1.00 0.00 H new ATOM 0 HH12 ARG A 3 1.199 -16.153 5.948 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -0.928 -18.829 6.850 1.00 0.00 H new ATOM 0 HH22 ARG A 3 0.168 -17.570 7.431 1.00 0.00 H new ATOM 80 N THR A 4 -4.386 -14.371 1.035 1.00 0.00 N ATOM 81 CA THR A 4 -4.915 -13.049 0.768 1.00 0.00 C ATOM 82 C THR A 4 -3.993 -11.965 1.343 1.00 0.00 C ATOM 83 O THR A 4 -3.284 -12.213 2.319 1.00 0.00 O ATOM 84 CB THR A 4 -6.316 -12.970 1.392 1.00 0.00 C ATOM 85 OG1 THR A 4 -6.288 -13.488 2.708 1.00 0.00 O ATOM 86 CG2 THR A 4 -7.325 -13.760 0.552 1.00 0.00 C ATOM 0 H THR A 4 -4.860 -14.836 1.810 1.00 0.00 H new ATOM 0 HA THR A 4 -4.975 -12.877 -0.307 1.00 0.00 H new ATOM 0 HB THR A 4 -6.623 -11.924 1.419 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.184 -13.433 3.100 1.00 0.00 H new ATOM 0 HG21 THR A 4 -8.312 -13.692 1.010 1.00 0.00 H new ATOM 0 HG22 THR A 4 -7.363 -13.346 -0.455 1.00 0.00 H new ATOM 0 HG23 THR A 4 -7.019 -14.805 0.503 1.00 0.00 H new ATOM 94 N PRO A 5 -3.992 -10.760 0.748 1.00 0.00 N ATOM 95 CA PRO A 5 -3.182 -9.636 1.191 1.00 0.00 C ATOM 96 C PRO A 5 -3.714 -9.039 2.494 1.00 0.00 C ATOM 97 O PRO A 5 -4.817 -8.498 2.526 1.00 0.00 O ATOM 98 CB PRO A 5 -3.225 -8.630 0.037 1.00 0.00 C ATOM 99 CG PRO A 5 -4.561 -8.914 -0.644 1.00 0.00 C ATOM 100 CD PRO A 5 -4.721 -10.422 -0.464 1.00 0.00 C ATOM 0 HA PRO A 5 -2.159 -9.937 1.417 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -3.171 -7.603 0.399 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.389 -8.771 -0.648 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -5.377 -8.362 -0.178 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -4.546 -8.632 -1.697 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -5.773 -10.695 -0.376 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -4.322 -10.962 -1.323 1.00 0.00 H new ATOM 108 N LYS A 6 -2.905 -9.117 3.559 1.00 0.00 N ATOM 109 CA LYS A 6 -3.158 -8.442 4.818 1.00 0.00 C ATOM 110 C LYS A 6 -2.577 -7.032 4.707 1.00 0.00 C ATOM 111 O LYS A 6 -1.359 -6.882 4.653 1.00 0.00 O ATOM 112 CB LYS A 6 -2.496 -9.228 5.957 1.00 0.00 C ATOM 113 CG LYS A 6 -2.987 -8.710 7.312 1.00 0.00 C ATOM 114 CD LYS A 6 -1.993 -9.068 8.422 1.00 0.00 C ATOM 115 CE LYS A 6 -2.437 -8.444 9.749 1.00 0.00 C ATOM 116 NZ LYS A 6 -1.438 -8.665 10.809 1.00 0.00 N ATOM 0 H LYS A 6 -2.044 -9.663 3.559 1.00 0.00 H new ATOM 0 HA LYS A 6 -4.225 -8.382 5.032 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.728 -10.289 5.859 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.412 -9.131 5.893 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.117 -7.629 7.268 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.963 -9.139 7.539 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.926 -10.151 8.525 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -0.998 -8.711 8.158 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.596 -7.374 9.614 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -3.392 -8.872 10.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.769 -8.230 11.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -1.305 -9.686 10.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.534 -8.235 10.529 1.00 0.00 H new ATOM 130 N ILE A 7 -3.446 -6.016 4.650 1.00 0.00 N ATOM 131 CA ILE A 7 -3.075 -4.617 4.473 1.00 0.00 C ATOM 132 C ILE A 7 -2.963 -3.954 5.848 1.00 0.00 C ATOM 133 O ILE A 7 -3.885 -4.091 6.651 1.00 0.00 O ATOM 134 CB ILE A 7 -4.149 -3.910 3.621 1.00 0.00 C ATOM 135 CG1 ILE A 7 -4.480 -4.665 2.317 1.00 0.00 C ATOM 136 CG2 ILE A 7 -3.705 -2.481 3.281 1.00 0.00 C ATOM 137 CD1 ILE A 7 -5.847 -5.353 2.387 1.00 0.00 C ATOM 0 H ILE A 7 -4.454 -6.154 4.728 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.115 -4.543 3.962 1.00 0.00 H new ATOM 0 HB ILE A 7 -5.056 -3.891 4.226 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -4.467 -3.967 1.480 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.708 -5.410 2.123 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.473 -1.995 2.679 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.555 -1.918 4.202 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.771 -2.514 2.720 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.041 -5.873 1.449 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.852 -6.071 3.207 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -6.622 -4.605 2.555 1.00 0.00 H new ATOM 149 N GLN A 8 -1.870 -3.224 6.126 1.00 0.00 N ATOM 150 CA GLN A 8 -1.731 -2.441 7.333 1.00 0.00 C ATOM 151 C GLN A 8 -1.018 -1.134 6.985 1.00 0.00 C ATOM 152 O GLN A 8 0.209 -1.056 7.017 1.00 0.00 O ATOM 153 CB GLN A 8 -1.005 -3.266 8.401 1.00 0.00 C ATOM 154 CG GLN A 8 0.232 -4.054 7.944 1.00 0.00 C ATOM 155 CD GLN A 8 -0.075 -5.370 7.234 1.00 0.00 C ATOM 156 OE1 GLN A 8 -1.080 -6.018 7.515 1.00 0.00 O ATOM 157 NE2 GLN A 8 0.809 -5.782 6.325 1.00 0.00 N ATOM 0 H GLN A 8 -1.062 -3.170 5.506 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.702 -2.182 7.754 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -0.702 -2.593 9.203 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.718 -3.971 8.829 1.00 0.00 H new ATOM 0 HG2 GLN A 8 0.820 -3.425 7.275 1.00 0.00 H new ATOM 0 HG3 GLN A 8 0.854 -4.263 8.814 1.00 0.00 H new ATOM 0 HE21 GLN A 8 1.632 -5.215 6.120 1.00 0.00 H new ATOM 0 HE22 GLN A 8 0.663 -6.664 5.835 1.00 0.00 H new ATOM 166 N VAL A 9 -1.794 -0.102 6.633 1.00 0.00 N ATOM 167 CA VAL A 9 -1.246 1.185 6.246 1.00 0.00 C ATOM 168 C VAL A 9 -0.849 1.954 7.497 1.00 0.00 C ATOM 169 O VAL A 9 -1.678 2.165 8.374 1.00 0.00 O ATOM 170 CB VAL A 9 -2.244 2.012 5.419 1.00 0.00 C ATOM 171 CG1 VAL A 9 -1.542 3.282 4.918 1.00 0.00 C ATOM 172 CG2 VAL A 9 -2.825 1.231 4.235 1.00 0.00 C ATOM 0 H VAL A 9 -2.813 -0.144 6.611 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.373 1.006 5.618 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.083 2.266 6.066 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.241 3.876 4.330 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.196 3.867 5.770 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.689 3.006 4.298 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.523 1.865 3.688 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.017 0.923 3.571 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.349 0.349 4.603 1.00 0.00 H new ATOM 182 N TYR A 10 0.403 2.411 7.551 1.00 0.00 N ATOM 183 CA TYR A 10 0.869 3.322 8.579 1.00 0.00 C ATOM 184 C TYR A 10 0.986 4.725 8.001 1.00 0.00 C ATOM 185 O TYR A 10 1.167 4.896 6.795 1.00 0.00 O ATOM 186 CB TYR A 10 2.224 2.861 9.125 1.00 0.00 C ATOM 187 CG TYR A 10 2.313 1.371 9.380 1.00 0.00 C ATOM 188 CD1 TYR A 10 1.353 0.738 10.191 1.00 0.00 C ATOM 189 CD2 TYR A 10 3.290 0.605 8.718 1.00 0.00 C ATOM 190 CE1 TYR A 10 1.401 -0.654 10.372 1.00 0.00 C ATOM 191 CE2 TYR A 10 3.356 -0.784 8.924 1.00 0.00 C ATOM 192 CZ TYR A 10 2.439 -1.404 9.792 1.00 0.00 C ATOM 193 OH TYR A 10 2.563 -2.728 10.096 1.00 0.00 O ATOM 0 H TYR A 10 1.122 2.153 6.875 1.00 0.00 H new ATOM 0 HA TYR A 10 0.152 3.330 9.400 1.00 0.00 H new ATOM 0 HB2 TYR A 10 3.004 3.145 8.419 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.428 3.391 10.055 1.00 0.00 H new ATOM 0 HD1 TYR A 10 0.582 1.321 10.673 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.990 1.085 8.051 1.00 0.00 H new ATOM 0 HE1 TYR A 10 0.640 -1.149 10.957 1.00 0.00 H new ATOM 0 HE2 TYR A 10 4.107 -1.372 8.418 1.00 0.00 H new ATOM 0 HH TYR A 10 1.739 -3.044 10.522 1.00 0.00 H new ATOM 203 N SER A 11 0.953 5.715 8.894 1.00 0.00 N ATOM 204 CA SER A 11 1.483 7.043 8.630 1.00 0.00 C ATOM 205 C SER A 11 2.612 7.276 9.630 1.00 0.00 C ATOM 206 O SER A 11 2.342 7.503 10.809 1.00 0.00 O ATOM 207 CB SER A 11 0.404 8.123 8.718 1.00 0.00 C ATOM 208 OG SER A 11 -0.351 8.009 9.902 1.00 0.00 O ATOM 0 H SER A 11 0.553 5.612 9.827 1.00 0.00 H new ATOM 0 HA SER A 11 1.860 7.105 7.609 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.870 9.107 8.677 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.258 8.047 7.855 1.00 0.00 H new ATOM 0 HG SER A 11 0.245 7.798 10.651 1.00 0.00 H new ATOM 214 N ARG A 12 3.868 7.196 9.167 1.00 0.00 N ATOM 215 CA ARG A 12 5.043 7.409 10.006 1.00 0.00 C ATOM 216 C ARG A 12 4.977 8.793 10.641 1.00 0.00 C ATOM 217 O ARG A 12 4.958 8.918 11.865 1.00 0.00 O ATOM 218 CB ARG A 12 6.324 7.306 9.171 1.00 0.00 C ATOM 219 CG ARG A 12 6.767 5.861 8.921 1.00 0.00 C ATOM 220 CD ARG A 12 7.842 5.811 7.828 1.00 0.00 C ATOM 221 NE ARG A 12 8.942 6.754 8.078 1.00 0.00 N ATOM 222 CZ ARG A 12 9.800 7.200 7.144 1.00 0.00 C ATOM 223 NH1 ARG A 12 9.774 6.715 5.895 1.00 0.00 N ATOM 224 NH2 ARG A 12 10.694 8.143 7.465 1.00 0.00 N ATOM 0 H ARG A 12 4.092 6.981 8.195 1.00 0.00 H new ATOM 0 HA ARG A 12 5.057 6.643 10.781 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.166 7.802 8.213 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.125 7.842 9.679 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.157 5.429 9.843 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.909 5.258 8.624 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.243 4.799 7.763 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.386 6.036 6.864 1.00 0.00 H new ATOM 0 HE ARG A 12 9.063 7.095 9.031 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.096 5.996 5.641 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.432 7.064 5.198 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.721 8.518 8.413 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.348 8.486 6.762 1.00 0.00 H new ATOM 238 N HIS A 13 4.952 9.827 9.794 1.00 0.00 N ATOM 239 CA HIS A 13 4.870 11.205 10.239 1.00 0.00 C ATOM 240 C HIS A 13 3.389 11.567 10.378 1.00 0.00 C ATOM 241 O HIS A 13 2.573 11.094 9.586 1.00 0.00 O ATOM 242 CB HIS A 13 5.564 12.137 9.242 1.00 0.00 C ATOM 243 CG HIS A 13 7.030 11.863 8.994 1.00 0.00 C ATOM 244 ND1 HIS A 13 7.712 10.810 9.606 1.00 0.00 N ATOM 245 CD2 HIS A 13 7.909 12.542 8.191 1.00 0.00 C ATOM 246 CE1 HIS A 13 8.966 10.899 9.156 1.00 0.00 C ATOM 247 NE2 HIS A 13 9.138 11.928 8.311 1.00 0.00 N ATOM 0 H HIS A 13 4.989 9.722 8.780 1.00 0.00 H new ATOM 0 HA HIS A 13 5.376 11.321 11.198 1.00 0.00 H new ATOM 0 HB2 HIS A 13 5.037 12.077 8.290 1.00 0.00 H new ATOM 0 HB3 HIS A 13 5.461 13.162 9.599 1.00 0.00 H new ATOM 0 HD2 HIS A 13 7.681 13.401 7.577 1.00 0.00 H new ATOM 0 HE1 HIS A 13 9.755 10.218 9.440 1.00 0.00 H new ATOM 0 HE2 HIS A 13 10.006 12.201 7.849 1.00 0.00 H new ATOM 255 N PRO A 14 3.021 12.395 11.368 1.00 0.00 N ATOM 256 CA PRO A 14 1.639 12.754 11.619 1.00 0.00 C ATOM 257 C PRO A 14 1.191 13.753 10.552 1.00 0.00 C ATOM 258 O PRO A 14 1.879 14.743 10.314 1.00 0.00 O ATOM 259 CB PRO A 14 1.633 13.359 13.024 1.00 0.00 C ATOM 260 CG PRO A 14 3.024 13.984 13.147 1.00 0.00 C ATOM 261 CD PRO A 14 3.912 13.067 12.300 1.00 0.00 C ATOM 0 HA PRO A 14 0.949 11.912 11.569 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.846 14.105 13.137 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.465 12.600 13.788 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.037 15.008 12.775 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.357 14.017 14.184 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.671 13.641 11.769 1.00 0.00 H new ATOM 0 HD3 PRO A 14 4.438 12.346 12.926 1.00 0.00 H new ATOM 269 N ALA A 15 0.059 13.470 9.895 1.00 0.00 N ATOM 270 CA ALA A 15 -0.433 14.249 8.766 1.00 0.00 C ATOM 271 C ALA A 15 -0.533 15.733 9.109 1.00 0.00 C ATOM 272 O ALA A 15 -1.033 16.099 10.172 1.00 0.00 O ATOM 273 CB ALA A 15 -1.794 13.725 8.324 1.00 0.00 C ATOM 0 H ALA A 15 -0.543 12.684 10.140 1.00 0.00 H new ATOM 0 HA ALA A 15 0.281 14.141 7.950 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.154 14.313 7.480 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.702 12.681 8.026 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.501 13.806 9.150 1.00 0.00 H new ATOM 279 N GLU A 16 -0.039 16.571 8.197 1.00 0.00 N ATOM 280 CA GLU A 16 0.099 18.006 8.384 1.00 0.00 C ATOM 281 C GLU A 16 -0.064 18.691 7.029 1.00 0.00 C ATOM 282 O GLU A 16 0.666 18.382 6.089 1.00 0.00 O ATOM 283 CB GLU A 16 1.468 18.299 9.014 1.00 0.00 C ATOM 284 CG GLU A 16 1.610 19.771 9.423 1.00 0.00 C ATOM 285 CD GLU A 16 2.919 20.045 10.167 1.00 0.00 C ATOM 286 OE1 GLU A 16 3.866 19.245 9.998 1.00 0.00 O ATOM 287 OE2 GLU A 16 2.950 21.059 10.896 1.00 0.00 O ATOM 0 H GLU A 16 0.284 16.255 7.283 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.667 18.392 9.056 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.607 17.665 9.889 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.255 18.042 8.305 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.562 20.399 8.533 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.769 20.052 10.057 1.00 0.00 H new ATOM 294 N ASN A 17 -1.037 19.603 6.924 1.00 0.00 N ATOM 295 CA ASN A 17 -1.352 20.295 5.683 1.00 0.00 C ATOM 296 C ASN A 17 -0.135 21.082 5.192 1.00 0.00 C ATOM 297 O ASN A 17 0.396 21.916 5.922 1.00 0.00 O ATOM 298 CB ASN A 17 -2.566 21.213 5.893 1.00 0.00 C ATOM 299 CG ASN A 17 -2.969 21.972 4.626 1.00 0.00 C ATOM 300 OD1 ASN A 17 -2.532 21.650 3.523 1.00 0.00 O ATOM 301 ND2 ASN A 17 -3.816 22.991 4.777 1.00 0.00 N ATOM 0 H ASN A 17 -1.629 19.879 7.708 1.00 0.00 H new ATOM 0 HA ASN A 17 -1.606 19.564 4.915 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.411 20.616 6.236 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.340 21.930 6.683 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.119 23.527 3.964 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -4.161 23.234 5.706 1.00 0.00 H new ATOM 308 N GLY A 18 0.309 20.804 3.960 1.00 0.00 N ATOM 309 CA GLY A 18 1.400 21.523 3.319 1.00 0.00 C ATOM 310 C GLY A 18 2.767 20.933 3.665 1.00 0.00 C ATOM 311 O GLY A 18 3.633 20.851 2.795 1.00 0.00 O ATOM 0 H GLY A 18 -0.088 20.065 3.380 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.261 21.501 2.238 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.371 22.569 3.623 1.00 0.00 H new ATOM 315 N LYS A 19 2.973 20.541 4.928 1.00 0.00 N ATOM 316 CA LYS A 19 4.247 20.031 5.405 1.00 0.00 C ATOM 317 C LYS A 19 4.334 18.529 5.152 1.00 0.00 C ATOM 318 O LYS A 19 3.511 17.737 5.601 1.00 0.00 O ATOM 319 CB LYS A 19 4.404 20.357 6.882 1.00 0.00 C ATOM 320 CG LYS A 19 5.813 20.202 7.475 1.00 0.00 C ATOM 321 CD LYS A 19 6.215 18.732 7.638 1.00 0.00 C ATOM 322 CE LYS A 19 7.406 18.546 8.577 1.00 0.00 C ATOM 323 NZ LYS A 19 7.758 17.119 8.673 1.00 0.00 N ATOM 0 H LYS A 19 2.250 20.572 5.647 1.00 0.00 H new ATOM 0 HA LYS A 19 5.063 20.508 4.862 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.079 21.385 7.040 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.725 19.718 7.446 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.534 20.704 6.830 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.853 20.698 8.445 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.365 18.168 8.021 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.460 18.316 6.661 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.260 19.115 8.210 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.164 18.936 9.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.793 17.017 8.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.363 16.722 9.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.367 16.609 7.855 1.00 0.00 H new ATOM 337 N SER A 20 5.382 18.187 4.420 1.00 0.00 N ATOM 338 CA SER A 20 5.739 16.886 3.894 1.00 0.00 C ATOM 339 C SER A 20 5.747 15.773 4.961 1.00 0.00 C ATOM 340 O SER A 20 6.476 15.880 5.949 1.00 0.00 O ATOM 341 CB SER A 20 7.132 17.092 3.297 1.00 0.00 C ATOM 342 OG SER A 20 7.188 18.270 2.514 1.00 0.00 O ATOM 0 H SER A 20 6.073 18.889 4.154 1.00 0.00 H new ATOM 0 HA SER A 20 5.005 16.544 3.165 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.868 17.150 4.099 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.397 16.232 2.683 1.00 0.00 H new ATOM 0 HG SER A 20 8.090 18.376 2.147 1.00 0.00 H new ATOM 348 N ASN A 21 4.943 14.716 4.773 1.00 0.00 N ATOM 349 CA ASN A 21 4.783 13.592 5.699 1.00 0.00 C ATOM 350 C ASN A 21 5.241 12.277 5.036 1.00 0.00 C ATOM 351 O ASN A 21 5.874 12.313 3.988 1.00 0.00 O ATOM 352 CB ASN A 21 3.314 13.540 6.151 1.00 0.00 C ATOM 353 CG ASN A 21 2.840 14.824 6.825 1.00 0.00 C ATOM 354 OD1 ASN A 21 1.902 15.461 6.354 1.00 0.00 O ATOM 355 ND2 ASN A 21 3.464 15.192 7.945 1.00 0.00 N ATOM 0 H ASN A 21 4.365 14.620 3.938 1.00 0.00 H new ATOM 0 HA ASN A 21 5.412 13.729 6.579 1.00 0.00 H new ATOM 0 HB2 ASN A 21 2.683 13.339 5.286 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.184 12.707 6.842 1.00 0.00 H new ATOM 0 HD21 ASN A 21 3.166 16.031 8.443 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.240 14.635 8.303 1.00 0.00 H new ATOM 362 N PHE A 22 4.935 11.107 5.623 1.00 0.00 N ATOM 363 CA PHE A 22 5.329 9.797 5.089 1.00 0.00 C ATOM 364 C PHE A 22 4.206 8.771 5.276 1.00 0.00 C ATOM 365 O PHE A 22 3.789 8.504 6.403 1.00 0.00 O ATOM 366 CB PHE A 22 6.622 9.290 5.750 1.00 0.00 C ATOM 367 CG PHE A 22 7.831 9.249 4.836 1.00 0.00 C ATOM 368 CD1 PHE A 22 7.880 8.312 3.785 1.00 0.00 C ATOM 369 CD2 PHE A 22 8.945 10.070 5.088 1.00 0.00 C ATOM 370 CE1 PHE A 22 9.015 8.236 2.959 1.00 0.00 C ATOM 371 CE2 PHE A 22 10.101 9.954 4.296 1.00 0.00 C ATOM 372 CZ PHE A 22 10.133 9.044 3.225 1.00 0.00 C ATOM 0 H PHE A 22 4.402 11.047 6.490 1.00 0.00 H new ATOM 0 HA PHE A 22 5.516 9.922 4.022 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.851 9.928 6.603 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.445 8.288 6.140 1.00 0.00 H new ATOM 0 HD1 PHE A 22 7.044 7.651 3.614 1.00 0.00 H new ATOM 0 HD2 PHE A 22 8.912 10.791 5.891 1.00 0.00 H new ATOM 0 HE1 PHE A 22 9.027 7.556 2.120 1.00 0.00 H new ATOM 0 HE2 PHE A 22 10.965 10.565 4.511 1.00 0.00 H new ATOM 0 HZ PHE A 22 11.016 8.966 2.608 1.00 0.00 H new ATOM 382 N LEU A 23 3.737 8.206 4.155 1.00 0.00 N ATOM 383 CA LEU A 23 2.635 7.262 4.042 1.00 0.00 C ATOM 384 C LEU A 23 3.195 5.905 3.641 1.00 0.00 C ATOM 385 O LEU A 23 4.000 5.839 2.714 1.00 0.00 O ATOM 386 CB LEU A 23 1.690 7.775 2.953 1.00 0.00 C ATOM 387 CG LEU A 23 0.530 6.842 2.607 1.00 0.00 C ATOM 388 CD1 LEU A 23 -0.401 6.714 3.812 1.00 0.00 C ATOM 389 CD2 LEU A 23 -0.229 7.462 1.429 1.00 0.00 C ATOM 0 H LEU A 23 4.151 8.416 3.246 1.00 0.00 H new ATOM 0 HA LEU A 23 2.100 7.165 4.987 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.282 8.734 3.271 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.270 7.959 2.048 1.00 0.00 H new ATOM 0 HG LEU A 23 0.898 5.850 2.345 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.228 6.048 3.564 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.152 6.306 4.658 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.793 7.697 4.075 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.066 6.819 1.156 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.605 8.444 1.715 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.443 7.564 0.577 1.00 0.00 H new ATOM 401 N ASN A 24 2.783 4.834 4.333 1.00 0.00 N ATOM 402 CA ASN A 24 3.377 3.514 4.174 1.00 0.00 C ATOM 403 C ASN A 24 2.309 2.425 4.106 1.00 0.00 C ATOM 404 O ASN A 24 1.873 1.937 5.144 1.00 0.00 O ATOM 405 CB ASN A 24 4.341 3.233 5.332 1.00 0.00 C ATOM 406 CG ASN A 24 5.507 4.217 5.441 1.00 0.00 C ATOM 407 OD1 ASN A 24 5.306 5.410 5.658 1.00 0.00 O ATOM 408 ND2 ASN A 24 6.739 3.718 5.321 1.00 0.00 N ATOM 0 H ASN A 24 2.027 4.866 5.018 1.00 0.00 H new ATOM 0 HA ASN A 24 3.926 3.503 3.233 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.780 3.249 6.267 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.742 2.226 5.218 1.00 0.00 H new ATOM 0 HD21 ASN A 24 7.549 4.332 5.409 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.871 2.723 5.141 1.00 0.00 H new ATOM 415 N CYS A 25 1.928 2.003 2.893 1.00 0.00 N ATOM 416 CA CYS A 25 0.933 0.953 2.698 1.00 0.00 C ATOM 417 C CYS A 25 1.604 -0.411 2.707 1.00 0.00 C ATOM 418 O CYS A 25 1.811 -1.002 1.651 1.00 0.00 O ATOM 419 CB CYS A 25 0.137 1.181 1.408 1.00 0.00 C ATOM 420 SG CYS A 25 -0.824 2.717 1.438 1.00 0.00 S ATOM 0 H CYS A 25 2.303 2.382 2.024 1.00 0.00 H new ATOM 0 HA CYS A 25 0.223 0.987 3.524 1.00 0.00 H new ATOM 0 HB2 CYS A 25 0.824 1.204 0.562 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.537 0.339 1.249 1.00 0.00 H new ATOM 425 N TYR A 26 1.932 -0.919 3.900 1.00 0.00 N ATOM 426 CA TYR A 26 2.555 -2.223 4.040 1.00 0.00 C ATOM 427 C TYR A 26 1.503 -3.293 3.771 1.00 0.00 C ATOM 428 O TYR A 26 0.399 -3.199 4.304 1.00 0.00 O ATOM 429 CB TYR A 26 3.127 -2.372 5.456 1.00 0.00 C ATOM 430 CG TYR A 26 3.800 -3.701 5.760 1.00 0.00 C ATOM 431 CD1 TYR A 26 4.574 -4.363 4.788 1.00 0.00 C ATOM 432 CD2 TYR A 26 3.656 -4.279 7.035 1.00 0.00 C ATOM 433 CE1 TYR A 26 5.138 -5.617 5.068 1.00 0.00 C ATOM 434 CE2 TYR A 26 4.208 -5.541 7.311 1.00 0.00 C ATOM 435 CZ TYR A 26 4.956 -6.209 6.329 1.00 0.00 C ATOM 436 OH TYR A 26 5.494 -7.435 6.597 1.00 0.00 O ATOM 0 H TYR A 26 1.771 -0.436 4.784 1.00 0.00 H new ATOM 0 HA TYR A 26 3.373 -2.332 3.328 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.850 -1.573 5.621 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.319 -2.223 6.172 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.734 -3.904 3.824 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.117 -3.749 7.807 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.714 -6.129 4.311 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.057 -5.997 8.278 1.00 0.00 H new ATOM 0 HH TYR A 26 6.091 -7.697 5.866 1.00 0.00 H new ATOM 446 N VAL A 27 1.844 -4.305 2.963 1.00 0.00 N ATOM 447 CA VAL A 27 0.989 -5.461 2.741 1.00 0.00 C ATOM 448 C VAL A 27 1.846 -6.701 2.957 1.00 0.00 C ATOM 449 O VAL A 27 2.997 -6.711 2.527 1.00 0.00 O ATOM 450 CB VAL A 27 0.399 -5.469 1.320 1.00 0.00 C ATOM 451 CG1 VAL A 27 -0.748 -6.479 1.244 1.00 0.00 C ATOM 452 CG2 VAL A 27 -0.148 -4.111 0.891 1.00 0.00 C ATOM 0 H VAL A 27 2.723 -4.338 2.447 1.00 0.00 H new ATOM 0 HA VAL A 27 0.146 -5.434 3.432 1.00 0.00 H new ATOM 0 HB VAL A 27 1.217 -5.735 0.651 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.164 -6.482 0.236 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.373 -7.474 1.485 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.525 -6.201 1.956 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.550 -4.183 -0.120 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.940 -3.805 1.575 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.654 -3.373 0.911 1.00 0.00 H new ATOM 462 N SER A 28 1.297 -7.742 3.595 1.00 0.00 N ATOM 463 CA SER A 28 2.018 -8.989 3.813 1.00 0.00 C ATOM 464 C SER A 28 1.071 -10.172 4.028 1.00 0.00 C ATOM 465 O SER A 28 -0.140 -10.044 3.852 1.00 0.00 O ATOM 466 CB SER A 28 3.016 -8.812 4.965 1.00 0.00 C ATOM 467 OG SER A 28 2.345 -8.537 6.175 1.00 0.00 O ATOM 0 H SER A 28 0.348 -7.738 3.969 1.00 0.00 H new ATOM 0 HA SER A 28 2.581 -9.230 2.911 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.615 -9.716 5.074 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.704 -7.999 4.733 1.00 0.00 H new ATOM 0 HG SER A 28 2.807 -7.814 6.649 1.00 0.00 H new ATOM 473 N GLY A 29 1.638 -11.341 4.360 1.00 0.00 N ATOM 474 CA GLY A 29 0.904 -12.580 4.579 1.00 0.00 C ATOM 475 C GLY A 29 0.591 -13.326 3.280 1.00 0.00 C ATOM 476 O GLY A 29 0.455 -14.548 3.297 1.00 0.00 O ATOM 0 H GLY A 29 2.645 -11.446 4.485 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.485 -13.229 5.234 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.029 -12.357 5.097 1.00 0.00 H new ATOM 480 N PHE A 30 0.467 -12.608 2.159 1.00 0.00 N ATOM 481 CA PHE A 30 0.059 -13.179 0.886 1.00 0.00 C ATOM 482 C PHE A 30 1.210 -13.941 0.223 1.00 0.00 C ATOM 483 O PHE A 30 2.327 -13.959 0.737 1.00 0.00 O ATOM 484 CB PHE A 30 -0.488 -12.073 -0.022 1.00 0.00 C ATOM 485 CG PHE A 30 0.527 -11.030 -0.440 1.00 0.00 C ATOM 486 CD1 PHE A 30 1.320 -11.270 -1.575 1.00 0.00 C ATOM 487 CD2 PHE A 30 0.702 -9.838 0.292 1.00 0.00 C ATOM 488 CE1 PHE A 30 2.318 -10.366 -1.951 1.00 0.00 C ATOM 489 CE2 PHE A 30 1.691 -8.922 -0.097 1.00 0.00 C ATOM 490 CZ PHE A 30 2.508 -9.203 -1.200 1.00 0.00 C ATOM 0 H PHE A 30 0.650 -11.605 2.117 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.735 -13.905 1.062 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.905 -12.532 -0.918 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.309 -11.574 0.492 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.157 -12.161 -2.163 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.078 -9.631 1.148 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.936 -10.565 -2.814 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.822 -8.002 0.453 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.293 -8.513 -1.473 1.00 0.00 H new ATOM 500 N HIS A 31 0.919 -14.549 -0.933 1.00 0.00 N ATOM 501 CA HIS A 31 1.855 -15.203 -1.842 1.00 0.00 C ATOM 502 C HIS A 31 1.053 -15.547 -3.112 1.00 0.00 C ATOM 503 O HIS A 31 -0.151 -15.778 -2.998 1.00 0.00 O ATOM 504 CB HIS A 31 2.496 -16.431 -1.169 1.00 0.00 C ATOM 505 CG HIS A 31 1.676 -17.683 -1.261 1.00 0.00 C ATOM 506 ND1 HIS A 31 0.939 -18.175 -0.187 1.00 0.00 N ATOM 507 CD2 HIS A 31 1.533 -18.519 -2.331 1.00 0.00 C ATOM 508 CE1 HIS A 31 0.399 -19.307 -0.646 1.00 0.00 C ATOM 509 NE2 HIS A 31 0.731 -19.565 -1.923 1.00 0.00 N ATOM 0 H HIS A 31 -0.040 -14.598 -1.277 1.00 0.00 H new ATOM 0 HA HIS A 31 2.694 -14.559 -2.107 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.469 -16.614 -1.625 1.00 0.00 H new ATOM 0 HB3 HIS A 31 2.674 -16.203 -0.118 1.00 0.00 H new ATOM 0 HD2 HIS A 31 1.966 -18.387 -3.312 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -0.237 -19.948 -0.054 1.00 0.00 H new ATOM 0 HE2 HIS A 31 0.447 -20.372 -2.479 1.00 0.00 H new ATOM 517 N PRO A 32 1.649 -15.584 -4.318 1.00 0.00 N ATOM 518 CA PRO A 32 3.049 -15.355 -4.635 1.00 0.00 C ATOM 519 C PRO A 32 3.284 -13.850 -4.882 1.00 0.00 C ATOM 520 O PRO A 32 2.837 -13.019 -4.095 1.00 0.00 O ATOM 521 CB PRO A 32 3.276 -16.240 -5.868 1.00 0.00 C ATOM 522 CG PRO A 32 1.976 -16.030 -6.641 1.00 0.00 C ATOM 523 CD PRO A 32 0.944 -16.027 -5.511 1.00 0.00 C ATOM 0 HA PRO A 32 3.753 -15.611 -3.843 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.149 -15.927 -6.442 1.00 0.00 H new ATOM 0 HB3 PRO A 32 3.429 -17.285 -5.599 1.00 0.00 H new ATOM 0 HG2 PRO A 32 1.977 -15.093 -7.198 1.00 0.00 H new ATOM 0 HG3 PRO A 32 1.794 -16.828 -7.361 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.114 -15.359 -5.743 1.00 0.00 H new ATOM 0 HD3 PRO A 32 0.522 -17.022 -5.367 1.00 0.00 H new ATOM 531 N SER A 33 3.995 -13.495 -5.961 1.00 0.00 N ATOM 532 CA SER A 33 4.605 -12.192 -6.172 1.00 0.00 C ATOM 533 C SER A 33 3.740 -11.214 -6.976 1.00 0.00 C ATOM 534 O SER A 33 4.037 -10.021 -6.999 1.00 0.00 O ATOM 535 CB SER A 33 5.940 -12.433 -6.878 1.00 0.00 C ATOM 536 OG SER A 33 5.730 -12.919 -8.189 1.00 0.00 O ATOM 0 H SER A 33 4.162 -14.138 -6.735 1.00 0.00 H new ATOM 0 HA SER A 33 4.733 -11.712 -5.202 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.510 -11.505 -6.916 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.534 -13.149 -6.310 1.00 0.00 H new ATOM 0 HG SER A 33 6.595 -13.066 -8.626 1.00 0.00 H new ATOM 542 N ASP A 34 2.705 -11.714 -7.662 1.00 0.00 N ATOM 543 CA ASP A 34 1.944 -10.959 -8.647 1.00 0.00 C ATOM 544 C ASP A 34 0.888 -10.075 -7.971 1.00 0.00 C ATOM 545 O ASP A 34 -0.300 -10.392 -7.999 1.00 0.00 O ATOM 546 CB ASP A 34 1.346 -11.955 -9.655 1.00 0.00 C ATOM 547 CG ASP A 34 0.523 -11.279 -10.750 1.00 0.00 C ATOM 548 OD1 ASP A 34 0.882 -10.141 -11.123 1.00 0.00 O ATOM 549 OD2 ASP A 34 -0.446 -11.924 -11.207 1.00 0.00 O ATOM 0 H ASP A 34 2.373 -12.671 -7.541 1.00 0.00 H new ATOM 0 HA ASP A 34 2.592 -10.269 -9.187 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.153 -12.525 -10.115 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.716 -12.667 -9.122 1.00 0.00 H new ATOM 554 N ILE A 35 1.332 -8.965 -7.362 1.00 0.00 N ATOM 555 CA ILE A 35 0.465 -7.970 -6.734 1.00 0.00 C ATOM 556 C ILE A 35 0.799 -6.552 -7.194 1.00 0.00 C ATOM 557 O ILE A 35 1.959 -6.221 -7.439 1.00 0.00 O ATOM 558 CB ILE A 35 0.493 -8.106 -5.204 1.00 0.00 C ATOM 559 CG1 ILE A 35 -0.471 -7.139 -4.498 1.00 0.00 C ATOM 560 CG2 ILE A 35 1.888 -7.880 -4.647 1.00 0.00 C ATOM 561 CD1 ILE A 35 -0.634 -7.481 -3.015 1.00 0.00 C ATOM 0 H ILE A 35 2.323 -8.734 -7.294 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.556 -8.166 -7.060 1.00 0.00 H new ATOM 0 HB ILE A 35 0.171 -9.128 -5.004 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.100 -6.119 -4.597 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.444 -7.173 -4.988 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.868 -7.984 -3.562 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.572 -8.616 -5.070 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.226 -6.877 -4.909 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.323 -6.774 -2.552 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.030 -8.492 -2.916 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.335 -7.421 -2.519 1.00 0.00 H new ATOM 573 N GLU A 36 -0.251 -5.731 -7.294 1.00 0.00 N ATOM 574 CA GLU A 36 -0.233 -4.375 -7.818 1.00 0.00 C ATOM 575 C GLU A 36 -0.739 -3.389 -6.766 1.00 0.00 C ATOM 576 O GLU A 36 -1.847 -3.562 -6.255 1.00 0.00 O ATOM 577 CB GLU A 36 -1.141 -4.272 -9.040 1.00 0.00 C ATOM 578 CG GLU A 36 -1.021 -5.463 -9.986 1.00 0.00 C ATOM 579 CD GLU A 36 -1.784 -5.180 -11.275 1.00 0.00 C ATOM 580 OE1 GLU A 36 -1.341 -4.277 -12.018 1.00 0.00 O ATOM 581 OE2 GLU A 36 -2.850 -5.805 -11.462 1.00 0.00 O ATOM 0 H GLU A 36 -1.183 -6.016 -6.994 1.00 0.00 H new ATOM 0 HA GLU A 36 0.795 -4.134 -8.090 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.176 -4.184 -8.708 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.902 -3.359 -9.585 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.028 -5.657 -10.209 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.416 -6.359 -9.508 1.00 0.00 H new ATOM 588 N VAL A 37 0.058 -2.356 -6.462 1.00 0.00 N ATOM 589 CA VAL A 37 -0.254 -1.350 -5.455 1.00 0.00 C ATOM 590 C VAL A 37 0.232 0.011 -5.955 1.00 0.00 C ATOM 591 O VAL A 37 1.235 0.542 -5.482 1.00 0.00 O ATOM 592 CB VAL A 37 0.358 -1.776 -4.104 1.00 0.00 C ATOM 593 CG1 VAL A 37 0.068 -0.865 -2.901 1.00 0.00 C ATOM 594 CG2 VAL A 37 -0.118 -3.184 -3.729 1.00 0.00 C ATOM 0 H VAL A 37 0.955 -2.199 -6.922 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.328 -1.262 -5.290 1.00 0.00 H new ATOM 0 HB VAL A 37 1.431 -1.717 -4.286 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.552 -1.271 -2.012 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.454 0.135 -3.100 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.008 -0.812 -2.736 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.320 -3.474 -2.774 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.205 -3.191 -3.646 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.192 -3.890 -4.500 1.00 0.00 H new ATOM 604 N ASP A 38 -0.512 0.580 -6.913 1.00 0.00 N ATOM 605 CA ASP A 38 -0.373 1.967 -7.324 1.00 0.00 C ATOM 606 C ASP A 38 -0.867 2.843 -6.176 1.00 0.00 C ATOM 607 O ASP A 38 -2.020 2.720 -5.760 1.00 0.00 O ATOM 608 CB ASP A 38 -1.211 2.247 -8.581 1.00 0.00 C ATOM 609 CG ASP A 38 -0.790 1.396 -9.775 1.00 0.00 C ATOM 610 OD1 ASP A 38 0.320 1.652 -10.290 1.00 0.00 O ATOM 611 OD2 ASP A 38 -1.591 0.517 -10.164 1.00 0.00 O ATOM 0 H ASP A 38 -1.235 0.075 -7.426 1.00 0.00 H new ATOM 0 HA ASP A 38 0.670 2.181 -7.558 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -2.262 2.060 -8.360 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.123 3.301 -8.843 1.00 0.00 H new ATOM 616 N LEU A 39 -0.003 3.726 -5.668 1.00 0.00 N ATOM 617 CA LEU A 39 -0.401 4.718 -4.688 1.00 0.00 C ATOM 618 C LEU A 39 -1.100 5.840 -5.451 1.00 0.00 C ATOM 619 O LEU A 39 -0.625 6.250 -6.508 1.00 0.00 O ATOM 620 CB LEU A 39 0.817 5.172 -3.877 1.00 0.00 C ATOM 621 CG LEU A 39 1.284 4.059 -2.921 1.00 0.00 C ATOM 622 CD1 LEU A 39 2.430 3.227 -3.507 1.00 0.00 C ATOM 623 CD2 LEU A 39 1.730 4.664 -1.588 1.00 0.00 C ATOM 0 H LEU A 39 0.983 3.767 -5.927 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.099 4.322 -3.950 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.629 5.442 -4.552 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.567 6.066 -3.306 1.00 0.00 H new ATOM 0 HG LEU A 39 0.434 3.394 -2.768 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.722 2.456 -2.794 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.102 2.757 -4.434 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.283 3.875 -3.711 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.058 3.868 -0.919 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.554 5.356 -1.760 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.896 5.199 -1.134 1.00 0.00 H new ATOM 635 N LEU A 40 -2.285 6.242 -4.979 1.00 0.00 N ATOM 636 CA LEU A 40 -3.286 6.886 -5.816 1.00 0.00 C ATOM 637 C LEU A 40 -4.108 7.840 -4.955 1.00 0.00 C ATOM 638 O LEU A 40 -4.773 7.399 -4.021 1.00 0.00 O ATOM 639 CB LEU A 40 -4.160 5.787 -6.445 1.00 0.00 C ATOM 640 CG LEU A 40 -4.844 6.144 -7.774 1.00 0.00 C ATOM 641 CD1 LEU A 40 -5.706 7.408 -7.695 1.00 0.00 C ATOM 642 CD2 LEU A 40 -3.822 6.286 -8.904 1.00 0.00 C ATOM 0 H LEU A 40 -2.571 6.127 -4.007 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.828 7.468 -6.616 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.540 4.905 -6.605 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.931 5.509 -5.726 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.513 5.311 -7.990 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.159 7.601 -8.668 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.490 7.268 -6.951 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.083 8.256 -7.410 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.337 6.539 -9.831 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.113 7.076 -8.656 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.287 5.345 -9.031 1.00 0.00 H new ATOM 654 N LYS A 41 -4.045 9.145 -5.244 1.00 0.00 N ATOM 655 CA LYS A 41 -4.706 10.156 -4.446 1.00 0.00 C ATOM 656 C LYS A 41 -6.191 10.286 -4.812 1.00 0.00 C ATOM 657 O LYS A 41 -6.873 9.285 -5.023 1.00 0.00 O ATOM 658 CB LYS A 41 -3.916 11.451 -4.635 1.00 0.00 C ATOM 659 CG LYS A 41 -2.456 11.233 -4.248 1.00 0.00 C ATOM 660 CD LYS A 41 -1.580 12.314 -4.860 1.00 0.00 C ATOM 661 CE LYS A 41 -2.147 13.690 -4.525 1.00 0.00 C ATOM 662 NZ LYS A 41 -1.182 14.777 -4.747 1.00 0.00 N ATOM 0 H LYS A 41 -3.531 9.519 -6.041 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.713 9.886 -3.390 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.981 11.778 -5.673 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.348 12.243 -4.024 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.355 11.245 -3.163 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.125 10.252 -4.588 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.562 12.228 -4.480 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.529 12.185 -5.941 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.034 13.869 -5.132 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.466 13.702 -3.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.667 15.693 -4.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.427 14.722 -4.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.768 14.685 -5.697 1.00 0.00 H new ATOM 676 N ASN A 42 -6.685 11.526 -4.905 1.00 0.00 N ATOM 677 CA ASN A 42 -8.015 11.848 -5.401 1.00 0.00 C ATOM 678 C ASN A 42 -8.163 11.403 -6.862 1.00 0.00 C ATOM 679 O ASN A 42 -9.201 10.864 -7.241 1.00 0.00 O ATOM 680 CB ASN A 42 -8.292 13.350 -5.211 1.00 0.00 C ATOM 681 CG ASN A 42 -7.554 14.230 -6.223 1.00 0.00 C ATOM 682 OD1 ASN A 42 -8.175 14.785 -7.126 1.00 0.00 O ATOM 683 ND2 ASN A 42 -6.228 14.348 -6.101 1.00 0.00 N ATOM 0 H ASN A 42 -6.152 12.350 -4.628 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.764 11.302 -4.828 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.364 13.529 -5.296 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -7.999 13.643 -4.203 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.703 14.912 -6.769 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -5.742 13.874 -5.340 1.00 0.00 H new ATOM 690 N GLY A 43 -7.112 11.599 -7.668 1.00 0.00 N ATOM 691 CA GLY A 43 -7.046 11.121 -9.039 1.00 0.00 C ATOM 692 C GLY A 43 -5.681 11.424 -9.654 1.00 0.00 C ATOM 693 O GLY A 43 -5.604 11.825 -10.813 1.00 0.00 O ATOM 0 H GLY A 43 -6.275 12.103 -7.374 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.231 10.047 -9.064 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.830 11.593 -9.632 1.00 0.00 H new ATOM 697 N GLU A 44 -4.611 11.226 -8.872 1.00 0.00 N ATOM 698 CA GLU A 44 -3.230 11.437 -9.284 1.00 0.00 C ATOM 699 C GLU A 44 -2.388 10.274 -8.753 1.00 0.00 C ATOM 700 O GLU A 44 -2.386 10.021 -7.548 1.00 0.00 O ATOM 701 CB GLU A 44 -2.762 12.791 -8.735 1.00 0.00 C ATOM 702 CG GLU A 44 -1.294 13.078 -9.066 1.00 0.00 C ATOM 703 CD GLU A 44 -0.867 14.422 -8.487 1.00 0.00 C ATOM 704 OE1 GLU A 44 -1.129 15.443 -9.158 1.00 0.00 O ATOM 705 OE2 GLU A 44 -0.304 14.407 -7.370 1.00 0.00 O ATOM 0 H GLU A 44 -4.693 10.905 -7.907 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.128 11.461 -10.369 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.387 13.583 -9.148 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.898 12.809 -7.654 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.663 12.285 -8.664 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.153 13.080 -10.147 1.00 0.00 H new ATOM 712 N ARG A 45 -1.687 9.565 -9.650 1.00 0.00 N ATOM 713 CA ARG A 45 -0.848 8.428 -9.293 1.00 0.00 C ATOM 714 C ARG A 45 0.527 8.897 -8.830 1.00 0.00 C ATOM 715 O ARG A 45 1.139 9.768 -9.446 1.00 0.00 O ATOM 716 CB ARG A 45 -0.740 7.440 -10.465 1.00 0.00 C ATOM 717 CG ARG A 45 -0.051 6.145 -10.007 1.00 0.00 C ATOM 718 CD ARG A 45 0.020 5.096 -11.119 1.00 0.00 C ATOM 719 NE ARG A 45 -1.306 4.569 -11.471 1.00 0.00 N ATOM 720 CZ ARG A 45 -1.524 3.588 -12.364 1.00 0.00 C ATOM 721 NH1 ARG A 45 -0.501 2.981 -12.982 1.00 0.00 N ATOM 722 NH2 ARG A 45 -2.779 3.213 -12.644 1.00 0.00 N ATOM 0 H ARG A 45 -1.691 9.772 -10.649 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.316 7.902 -8.461 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.734 7.214 -10.852 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.175 7.892 -11.280 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.958 6.375 -9.664 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -0.591 5.731 -9.155 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.480 5.537 -12.003 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.663 4.275 -10.801 1.00 0.00 H new ATOM 0 HE ARG A 45 -2.117 4.976 -11.005 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.458 3.262 -12.777 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.681 2.238 -13.657 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.564 3.671 -12.181 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -2.950 2.469 -13.321 1.00 0.00 H new ATOM 736 N ILE A 46 1.003 8.295 -7.738 1.00 0.00 N ATOM 737 CA ILE A 46 2.258 8.574 -7.102 1.00 0.00 C ATOM 738 C ILE A 46 3.260 7.567 -7.656 1.00 0.00 C ATOM 739 O ILE A 46 3.278 6.409 -7.243 1.00 0.00 O ATOM 740 CB ILE A 46 2.011 8.432 -5.598 1.00 0.00 C ATOM 741 CG1 ILE A 46 1.008 9.507 -5.149 1.00 0.00 C ATOM 742 CG2 ILE A 46 3.322 8.549 -4.838 1.00 0.00 C ATOM 743 CD1 ILE A 46 0.671 9.435 -3.662 1.00 0.00 C ATOM 0 H ILE A 46 0.481 7.561 -7.260 1.00 0.00 H new ATOM 0 HA ILE A 46 2.657 9.571 -7.287 1.00 0.00 H new ATOM 0 HB ILE A 46 1.591 7.449 -5.383 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.417 10.492 -5.375 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.090 9.402 -5.728 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.133 8.446 -3.769 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.003 7.762 -5.164 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.771 9.522 -5.035 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.042 10.221 -3.412 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.233 8.463 -3.435 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.580 9.570 -3.076 1.00 0.00 H new ATOM 755 N GLU A 47 4.076 8.021 -8.610 1.00 0.00 N ATOM 756 CA GLU A 47 5.105 7.209 -9.239 1.00 0.00 C ATOM 757 C GLU A 47 6.367 7.157 -8.372 1.00 0.00 C ATOM 758 O GLU A 47 7.094 6.166 -8.415 1.00 0.00 O ATOM 759 CB GLU A 47 5.404 7.758 -10.638 1.00 0.00 C ATOM 760 CG GLU A 47 4.174 7.653 -11.552 1.00 0.00 C ATOM 761 CD GLU A 47 4.491 8.107 -12.974 1.00 0.00 C ATOM 762 OE1 GLU A 47 5.088 9.198 -13.106 1.00 0.00 O ATOM 763 OE2 GLU A 47 4.129 7.356 -13.906 1.00 0.00 O ATOM 0 H GLU A 47 4.035 8.975 -8.968 1.00 0.00 H new ATOM 0 HA GLU A 47 4.744 6.185 -9.338 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.717 8.800 -10.563 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.235 7.206 -11.078 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.819 6.622 -11.569 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.366 8.262 -11.147 1.00 0.00 H new ATOM 770 N LYS A 48 6.628 8.209 -7.582 1.00 0.00 N ATOM 771 CA LYS A 48 7.769 8.280 -6.682 1.00 0.00 C ATOM 772 C LYS A 48 7.477 7.474 -5.415 1.00 0.00 C ATOM 773 O LYS A 48 7.185 8.033 -4.357 1.00 0.00 O ATOM 774 CB LYS A 48 8.104 9.744 -6.371 1.00 0.00 C ATOM 775 CG LYS A 48 8.494 10.495 -7.649 1.00 0.00 C ATOM 776 CD LYS A 48 8.936 11.920 -7.300 1.00 0.00 C ATOM 777 CE LYS A 48 9.242 12.744 -8.556 1.00 0.00 C ATOM 778 NZ LYS A 48 10.379 12.194 -9.317 1.00 0.00 N ATOM 0 H LYS A 48 6.039 9.041 -7.556 1.00 0.00 H new ATOM 0 HA LYS A 48 8.645 7.841 -7.160 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.245 10.228 -5.907 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.922 9.790 -5.652 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.301 9.969 -8.159 1.00 0.00 H new ATOM 0 HG3 LYS A 48 7.649 10.525 -8.336 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.153 12.413 -6.724 1.00 0.00 H new ATOM 0 HD3 LYS A 48 9.822 11.881 -6.666 1.00 0.00 H new ATOM 0 HE2 LYS A 48 8.359 12.772 -9.194 1.00 0.00 H new ATOM 0 HE3 LYS A 48 9.462 13.773 -8.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.616 12.836 -10.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.202 12.095 -8.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 10.122 11.262 -9.700 1.00 0.00 H new ATOM 792 N VAL A 49 7.572 6.147 -5.547 1.00 0.00 N ATOM 793 CA VAL A 49 7.405 5.194 -4.464 1.00 0.00 C ATOM 794 C VAL A 49 8.798 4.746 -4.015 1.00 0.00 C ATOM 795 O VAL A 49 9.582 4.246 -4.821 1.00 0.00 O ATOM 796 CB VAL A 49 6.546 4.006 -4.932 1.00 0.00 C ATOM 797 CG1 VAL A 49 6.204 3.107 -3.738 1.00 0.00 C ATOM 798 CG2 VAL A 49 5.248 4.492 -5.592 1.00 0.00 C ATOM 0 H VAL A 49 7.774 5.701 -6.442 1.00 0.00 H new ATOM 0 HA VAL A 49 6.885 5.649 -3.621 1.00 0.00 H new ATOM 0 HB VAL A 49 7.120 3.441 -5.666 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.596 2.268 -4.077 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.124 2.731 -3.290 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.649 3.682 -2.997 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.659 3.633 -5.914 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.673 5.078 -4.875 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.489 5.111 -6.456 1.00 0.00 H new ATOM 808 N GLU A 50 9.096 4.929 -2.726 1.00 0.00 N ATOM 809 CA GLU A 50 10.342 4.550 -2.083 1.00 0.00 C ATOM 810 C GLU A 50 10.164 3.150 -1.496 1.00 0.00 C ATOM 811 O GLU A 50 10.273 2.967 -0.289 1.00 0.00 O ATOM 812 CB GLU A 50 10.659 5.589 -0.996 1.00 0.00 C ATOM 813 CG GLU A 50 12.091 5.489 -0.465 1.00 0.00 C ATOM 814 CD GLU A 50 12.341 6.559 0.597 1.00 0.00 C ATOM 815 OE1 GLU A 50 11.918 6.328 1.751 1.00 0.00 O ATOM 816 OE2 GLU A 50 12.934 7.597 0.232 1.00 0.00 O ATOM 0 H GLU A 50 8.440 5.366 -2.079 1.00 0.00 H new ATOM 0 HA GLU A 50 11.175 4.527 -2.786 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.497 6.588 -1.400 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.962 5.463 -0.168 1.00 0.00 H new ATOM 0 HG2 GLU A 50 12.260 4.499 -0.040 1.00 0.00 H new ATOM 0 HG3 GLU A 50 12.799 5.609 -1.285 1.00 0.00 H new ATOM 823 N HIS A 51 9.839 2.160 -2.334 1.00 0.00 N ATOM 824 CA HIS A 51 9.465 0.841 -1.842 1.00 0.00 C ATOM 825 C HIS A 51 10.664 0.087 -1.258 1.00 0.00 C ATOM 826 O HIS A 51 11.817 0.432 -1.510 1.00 0.00 O ATOM 827 CB HIS A 51 8.734 0.042 -2.935 1.00 0.00 C ATOM 828 CG HIS A 51 9.459 -0.094 -4.252 1.00 0.00 C ATOM 829 ND1 HIS A 51 8.779 0.030 -5.464 1.00 0.00 N ATOM 830 CD2 HIS A 51 10.771 -0.388 -4.513 1.00 0.00 C ATOM 831 CE1 HIS A 51 9.703 -0.206 -6.401 1.00 0.00 C ATOM 832 NE2 HIS A 51 10.911 -0.473 -5.880 1.00 0.00 N ATOM 0 H HIS A 51 9.829 2.251 -3.350 1.00 0.00 H new ATOM 0 HA HIS A 51 8.766 0.972 -1.016 1.00 0.00 H new ATOM 0 HB2 HIS A 51 8.529 -0.957 -2.551 1.00 0.00 H new ATOM 0 HB3 HIS A 51 7.770 0.516 -3.121 1.00 0.00 H new ATOM 0 HD2 HIS A 51 11.552 -0.528 -3.781 1.00 0.00 H new ATOM 0 HE1 HIS A 51 9.500 -0.184 -7.461 1.00 0.00 H new ATOM 0 HE2 HIS A 51 11.763 -0.695 -6.395 1.00 0.00 H new ATOM 840 N SER A 52 10.372 -0.955 -0.473 1.00 0.00 N ATOM 841 CA SER A 52 11.362 -1.869 0.084 1.00 0.00 C ATOM 842 C SER A 52 11.725 -2.987 -0.904 1.00 0.00 C ATOM 843 O SER A 52 12.550 -3.835 -0.565 1.00 0.00 O ATOM 844 CB SER A 52 10.806 -2.473 1.382 1.00 0.00 C ATOM 845 OG SER A 52 11.782 -3.244 2.051 1.00 0.00 O ATOM 0 H SER A 52 9.416 -1.188 -0.204 1.00 0.00 H new ATOM 0 HA SER A 52 12.274 -1.308 0.288 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.459 -1.674 2.037 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.941 -3.096 1.154 1.00 0.00 H new ATOM 0 HG SER A 52 12.343 -3.704 1.392 1.00 0.00 H new ATOM 851 N ASP A 53 11.071 -3.036 -2.077 1.00 0.00 N ATOM 852 CA ASP A 53 11.095 -4.168 -3.000 1.00 0.00 C ATOM 853 C ASP A 53 10.575 -5.437 -2.309 1.00 0.00 C ATOM 854 O ASP A 53 10.066 -5.378 -1.189 1.00 0.00 O ATOM 855 CB ASP A 53 12.486 -4.350 -3.635 1.00 0.00 C ATOM 856 CG ASP A 53 12.924 -3.108 -4.405 1.00 0.00 C ATOM 857 OD1 ASP A 53 12.506 -2.993 -5.578 1.00 0.00 O ATOM 858 OD2 ASP A 53 13.663 -2.296 -3.810 1.00 0.00 O ATOM 0 H ASP A 53 10.496 -2.263 -2.413 1.00 0.00 H new ATOM 0 HA ASP A 53 10.417 -3.958 -3.828 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.215 -4.570 -2.856 1.00 0.00 H new ATOM 0 HB3 ASP A 53 12.469 -5.208 -4.308 1.00 0.00 H new ATOM 863 N LEU A 54 10.671 -6.589 -2.984 1.00 0.00 N ATOM 864 CA LEU A 54 10.136 -7.839 -2.468 1.00 0.00 C ATOM 865 C LEU A 54 11.037 -8.371 -1.352 1.00 0.00 C ATOM 866 O LEU A 54 12.225 -8.603 -1.567 1.00 0.00 O ATOM 867 CB LEU A 54 9.924 -8.845 -3.612 1.00 0.00 C ATOM 868 CG LEU A 54 8.887 -9.950 -3.324 1.00 0.00 C ATOM 869 CD1 LEU A 54 9.189 -10.754 -2.057 1.00 0.00 C ATOM 870 CD2 LEU A 54 7.449 -9.408 -3.297 1.00 0.00 C ATOM 0 H LEU A 54 11.120 -6.673 -3.896 1.00 0.00 H new ATOM 0 HA LEU A 54 9.154 -7.668 -2.026 1.00 0.00 H new ATOM 0 HB2 LEU A 54 9.613 -8.299 -4.503 1.00 0.00 H new ATOM 0 HB3 LEU A 54 10.879 -9.316 -3.844 1.00 0.00 H new ATOM 0 HG LEU A 54 8.971 -10.642 -4.162 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.420 -11.513 -1.916 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.161 -11.237 -2.155 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.201 -10.086 -1.196 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.756 -10.224 -3.091 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.360 -8.651 -2.518 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.209 -8.964 -4.263 1.00 0.00 H new ATOM 882 N SER A 55 10.449 -8.566 -0.166 1.00 0.00 N ATOM 883 CA SER A 55 11.075 -9.170 0.997 1.00 0.00 C ATOM 884 C SER A 55 10.152 -10.266 1.531 1.00 0.00 C ATOM 885 O SER A 55 9.426 -10.045 2.494 1.00 0.00 O ATOM 886 CB SER A 55 11.325 -8.086 2.056 1.00 0.00 C ATOM 887 OG SER A 55 12.044 -8.618 3.150 1.00 0.00 O ATOM 0 H SER A 55 9.482 -8.292 0.008 1.00 0.00 H new ATOM 0 HA SER A 55 12.035 -9.616 0.735 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.882 -7.260 1.614 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.374 -7.681 2.401 1.00 0.00 H new ATOM 0 HG SER A 55 12.196 -7.914 3.815 1.00 0.00 H new ATOM 893 N PHE A 56 10.172 -11.463 0.934 1.00 0.00 N ATOM 894 CA PHE A 56 9.484 -12.593 1.541 1.00 0.00 C ATOM 895 C PHE A 56 10.273 -12.987 2.793 1.00 0.00 C ATOM 896 O PHE A 56 11.468 -13.266 2.692 1.00 0.00 O ATOM 897 CB PHE A 56 9.319 -13.755 0.553 1.00 0.00 C ATOM 898 CG PHE A 56 10.576 -14.471 0.109 1.00 0.00 C ATOM 899 CD1 PHE A 56 11.264 -14.041 -1.040 1.00 0.00 C ATOM 900 CD2 PHE A 56 10.993 -15.637 0.779 1.00 0.00 C ATOM 901 CE1 PHE A 56 12.401 -14.738 -1.482 1.00 0.00 C ATOM 902 CE2 PHE A 56 12.124 -16.341 0.331 1.00 0.00 C ATOM 903 CZ PHE A 56 12.834 -15.886 -0.795 1.00 0.00 C ATOM 0 H PHE A 56 10.646 -11.666 0.054 1.00 0.00 H new ATOM 0 HA PHE A 56 8.467 -12.318 1.822 1.00 0.00 H new ATOM 0 HB2 PHE A 56 8.653 -14.490 1.005 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.816 -13.374 -0.336 1.00 0.00 H new ATOM 0 HD1 PHE A 56 10.918 -13.174 -1.583 1.00 0.00 H new ATOM 0 HD2 PHE A 56 10.443 -15.991 1.638 1.00 0.00 H new ATOM 0 HE1 PHE A 56 12.943 -14.392 -2.350 1.00 0.00 H new ATOM 0 HE2 PHE A 56 12.448 -17.231 0.851 1.00 0.00 H new ATOM 0 HZ PHE A 56 13.711 -16.418 -1.132 1.00 0.00 H new ATOM 913 N SER A 57 9.639 -12.998 3.974 1.00 0.00 N ATOM 914 CA SER A 57 10.297 -13.561 5.145 1.00 0.00 C ATOM 915 C SER A 57 10.424 -15.064 4.906 1.00 0.00 C ATOM 916 O SER A 57 9.476 -15.697 4.436 1.00 0.00 O ATOM 917 CB SER A 57 9.550 -13.251 6.446 1.00 0.00 C ATOM 918 OG SER A 57 10.188 -13.878 7.537 1.00 0.00 O ATOM 0 H SER A 57 8.700 -12.634 4.135 1.00 0.00 H new ATOM 0 HA SER A 57 11.280 -13.107 5.273 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.516 -12.173 6.606 1.00 0.00 H new ATOM 0 HB3 SER A 57 8.518 -13.595 6.372 1.00 0.00 H new ATOM 0 HG SER A 57 9.702 -13.671 8.363 1.00 0.00 H new ATOM 924 N LYS A 58 11.607 -15.618 5.192 1.00 0.00 N ATOM 925 CA LYS A 58 11.998 -16.966 4.796 1.00 0.00 C ATOM 926 C LYS A 58 11.348 -18.065 5.642 1.00 0.00 C ATOM 927 O LYS A 58 11.797 -19.209 5.601 1.00 0.00 O ATOM 928 CB LYS A 58 13.532 -17.059 4.779 1.00 0.00 C ATOM 929 CG LYS A 58 14.134 -16.037 3.803 1.00 0.00 C ATOM 930 CD LYS A 58 15.658 -16.170 3.727 1.00 0.00 C ATOM 931 CE LYS A 58 16.223 -15.149 2.733 1.00 0.00 C ATOM 932 NZ LYS A 58 17.676 -15.314 2.558 1.00 0.00 N ATOM 0 H LYS A 58 12.331 -15.128 5.717 1.00 0.00 H new ATOM 0 HA LYS A 58 11.620 -17.147 3.790 1.00 0.00 H new ATOM 0 HB2 LYS A 58 13.922 -16.883 5.782 1.00 0.00 H new ATOM 0 HB3 LYS A 58 13.836 -18.065 4.491 1.00 0.00 H new ATOM 0 HG2 LYS A 58 13.704 -16.181 2.812 1.00 0.00 H new ATOM 0 HG3 LYS A 58 13.870 -15.028 4.121 1.00 0.00 H new ATOM 0 HD2 LYS A 58 16.095 -16.011 4.713 1.00 0.00 H new ATOM 0 HD3 LYS A 58 15.928 -17.180 3.418 1.00 0.00 H new ATOM 0 HE2 LYS A 58 15.724 -15.262 1.770 1.00 0.00 H new ATOM 0 HE3 LYS A 58 16.010 -14.140 3.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 18.026 -14.608 1.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 18.153 -15.182 3.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 17.876 -16.269 2.198 1.00 0.00 H new ATOM 946 N ASP A 59 10.255 -17.742 6.343 1.00 0.00 N ATOM 947 CA ASP A 59 9.346 -18.717 6.908 1.00 0.00 C ATOM 948 C ASP A 59 8.521 -19.310 5.763 1.00 0.00 C ATOM 949 O ASP A 59 8.943 -20.282 5.139 1.00 0.00 O ATOM 950 CB ASP A 59 8.474 -18.038 7.978 1.00 0.00 C ATOM 951 CG ASP A 59 9.271 -17.707 9.236 1.00 0.00 C ATOM 952 OD1 ASP A 59 9.900 -16.627 9.244 1.00 0.00 O ATOM 953 OD2 ASP A 59 9.234 -18.540 10.167 1.00 0.00 O ATOM 0 H ASP A 59 9.983 -16.777 6.531 1.00 0.00 H new ATOM 0 HA ASP A 59 9.880 -19.529 7.402 1.00 0.00 H new ATOM 0 HB2 ASP A 59 8.045 -17.123 7.569 1.00 0.00 H new ATOM 0 HB3 ASP A 59 7.642 -18.693 8.237 1.00 0.00 H new ATOM 958 N TRP A 60 7.362 -18.707 5.475 1.00 0.00 N ATOM 959 CA TRP A 60 6.478 -19.055 4.372 1.00 0.00 C ATOM 960 C TRP A 60 5.489 -17.902 4.175 1.00 0.00 C ATOM 961 O TRP A 60 4.303 -18.007 4.482 1.00 0.00 O ATOM 962 CB TRP A 60 5.842 -20.433 4.572 1.00 0.00 C ATOM 963 CG TRP A 60 4.952 -20.606 5.754 1.00 0.00 C ATOM 964 CD1 TRP A 60 5.338 -20.698 7.042 1.00 0.00 C ATOM 965 CD2 TRP A 60 3.511 -20.753 5.756 1.00 0.00 C ATOM 966 NE1 TRP A 60 4.235 -20.918 7.845 1.00 0.00 N ATOM 967 CE2 TRP A 60 3.076 -20.979 7.092 1.00 0.00 C ATOM 968 CE3 TRP A 60 2.534 -20.722 4.744 1.00 0.00 C ATOM 969 CZ2 TRP A 60 1.726 -21.199 7.405 1.00 0.00 C ATOM 970 CZ3 TRP A 60 1.179 -20.962 5.042 1.00 0.00 C ATOM 971 CH2 TRP A 60 0.776 -21.209 6.368 1.00 0.00 C ATOM 0 H TRP A 60 7.005 -17.931 6.032 1.00 0.00 H new ATOM 0 HA TRP A 60 7.034 -19.167 3.441 1.00 0.00 H new ATOM 0 HB2 TRP A 60 5.267 -20.673 3.678 1.00 0.00 H new ATOM 0 HB3 TRP A 60 6.644 -21.168 4.642 1.00 0.00 H new ATOM 0 HD1 TRP A 60 6.356 -20.613 7.394 1.00 0.00 H new ATOM 0 HE1 TRP A 60 4.271 -21.022 8.859 1.00 0.00 H new ATOM 0 HE3 TRP A 60 2.827 -20.512 3.726 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 1.421 -21.359 8.429 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 0.445 -20.957 4.249 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -0.263 -21.406 6.589 1.00 0.00 H new ATOM 982 N SER A 61 6.020 -16.778 3.681 1.00 0.00 N ATOM 983 CA SER A 61 5.300 -15.532 3.461 1.00 0.00 C ATOM 984 C SER A 61 5.692 -14.958 2.099 1.00 0.00 C ATOM 985 O SER A 61 6.421 -15.600 1.345 1.00 0.00 O ATOM 986 CB SER A 61 5.645 -14.555 4.593 1.00 0.00 C ATOM 987 OG SER A 61 6.988 -14.130 4.483 1.00 0.00 O ATOM 0 H SER A 61 7.003 -16.716 3.415 1.00 0.00 H new ATOM 0 HA SER A 61 4.224 -15.704 3.463 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.979 -13.693 4.554 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.487 -15.036 5.558 1.00 0.00 H new ATOM 0 HG SER A 61 7.581 -14.910 4.500 1.00 0.00 H new ATOM 993 N PHE A 62 5.226 -13.741 1.798 1.00 0.00 N ATOM 994 CA PHE A 62 5.597 -12.985 0.614 1.00 0.00 C ATOM 995 C PHE A 62 5.089 -11.562 0.834 1.00 0.00 C ATOM 996 O PHE A 62 3.889 -11.392 1.054 1.00 0.00 O ATOM 997 CB PHE A 62 4.973 -13.618 -0.643 1.00 0.00 C ATOM 998 CG PHE A 62 5.926 -13.712 -1.811 1.00 0.00 C ATOM 999 CD1 PHE A 62 6.887 -14.738 -1.845 1.00 0.00 C ATOM 1000 CD2 PHE A 62 5.946 -12.712 -2.796 1.00 0.00 C ATOM 1001 CE1 PHE A 62 7.857 -14.777 -2.855 1.00 0.00 C ATOM 1002 CE2 PHE A 62 6.936 -12.735 -3.786 1.00 0.00 C ATOM 1003 CZ PHE A 62 7.871 -13.780 -3.843 1.00 0.00 C ATOM 0 H PHE A 62 4.561 -13.247 2.394 1.00 0.00 H new ATOM 0 HA PHE A 62 6.676 -12.986 0.459 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.615 -14.617 -0.396 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.103 -13.032 -0.941 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.877 -15.504 -1.084 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.202 -11.929 -2.790 1.00 0.00 H new ATOM 0 HE1 PHE A 62 8.590 -15.570 -2.873 1.00 0.00 H new ATOM 0 HE2 PHE A 62 6.981 -11.939 -4.514 1.00 0.00 H new ATOM 0 HZ PHE A 62 8.597 -13.817 -4.642 1.00 0.00 H new ATOM 1013 N TYR A 63 5.964 -10.546 0.831 1.00 0.00 N ATOM 1014 CA TYR A 63 5.495 -9.193 1.109 1.00 0.00 C ATOM 1015 C TYR A 63 6.451 -8.149 0.545 1.00 0.00 C ATOM 1016 O TYR A 63 7.530 -8.472 0.053 1.00 0.00 O ATOM 1017 CB TYR A 63 5.358 -8.954 2.611 1.00 0.00 C ATOM 1018 CG TYR A 63 6.561 -9.224 3.471 1.00 0.00 C ATOM 1019 CD1 TYR A 63 7.468 -8.169 3.672 1.00 0.00 C ATOM 1020 CD2 TYR A 63 6.615 -10.363 4.288 1.00 0.00 C ATOM 1021 CE1 TYR A 63 8.470 -8.271 4.645 1.00 0.00 C ATOM 1022 CE2 TYR A 63 7.611 -10.463 5.269 1.00 0.00 C ATOM 1023 CZ TYR A 63 8.558 -9.433 5.432 1.00 0.00 C ATOM 1024 OH TYR A 63 9.559 -9.558 6.350 1.00 0.00 O ATOM 0 H TYR A 63 6.963 -10.634 0.646 1.00 0.00 H new ATOM 0 HA TYR A 63 4.521 -9.096 0.630 1.00 0.00 H new ATOM 0 HB2 TYR A 63 5.064 -7.915 2.760 1.00 0.00 H new ATOM 0 HB3 TYR A 63 4.538 -9.573 2.976 1.00 0.00 H new ATOM 0 HD1 TYR A 63 7.392 -7.274 3.072 1.00 0.00 H new ATOM 0 HD2 TYR A 63 5.894 -11.157 4.162 1.00 0.00 H new ATOM 0 HE1 TYR A 63 9.171 -7.462 4.790 1.00 0.00 H new ATOM 0 HE2 TYR A 63 7.653 -11.336 5.904 1.00 0.00 H new ATOM 0 HH TYR A 63 9.179 -9.821 7.214 1.00 0.00 H new ATOM 1034 N LEU A 64 6.043 -6.882 0.669 1.00 0.00 N ATOM 1035 CA LEU A 64 6.796 -5.712 0.248 1.00 0.00 C ATOM 1036 C LEU A 64 6.153 -4.489 0.898 1.00 0.00 C ATOM 1037 O LEU A 64 4.959 -4.494 1.189 1.00 0.00 O ATOM 1038 CB LEU A 64 6.926 -5.605 -1.290 1.00 0.00 C ATOM 1039 CG LEU A 64 5.643 -5.425 -2.115 1.00 0.00 C ATOM 1040 CD1 LEU A 64 5.900 -5.553 -3.625 1.00 0.00 C ATOM 1041 CD2 LEU A 64 4.602 -6.489 -1.794 1.00 0.00 C ATOM 0 H LEU A 64 5.142 -6.642 1.083 1.00 0.00 H new ATOM 0 HA LEU A 64 7.830 -5.791 0.585 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.585 -4.765 -1.511 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.427 -6.505 -1.645 1.00 0.00 H new ATOM 0 HG LEU A 64 5.289 -4.427 -1.855 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.963 -5.418 -4.166 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.613 -4.791 -3.939 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.306 -6.541 -3.843 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.712 -6.322 -2.401 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.011 -7.476 -2.013 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.337 -6.432 -0.738 1.00 0.00 H new ATOM 1053 N LEU A 65 6.966 -3.467 1.175 1.00 0.00 N ATOM 1054 CA LEU A 65 6.556 -2.201 1.747 1.00 0.00 C ATOM 1055 C LEU A 65 6.563 -1.197 0.598 1.00 0.00 C ATOM 1056 O LEU A 65 7.507 -1.195 -0.189 1.00 0.00 O ATOM 1057 CB LEU A 65 7.556 -1.828 2.852 1.00 0.00 C ATOM 1058 CG LEU A 65 6.876 -1.347 4.136 1.00 0.00 C ATOM 1059 CD1 LEU A 65 7.934 -1.212 5.231 1.00 0.00 C ATOM 1060 CD2 LEU A 65 6.174 -0.005 3.939 1.00 0.00 C ATOM 0 H LEU A 65 7.969 -3.510 0.996 1.00 0.00 H new ATOM 0 HA LEU A 65 5.565 -2.229 2.200 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.178 -2.694 3.079 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.220 -1.046 2.484 1.00 0.00 H new ATOM 0 HG LEU A 65 6.118 -2.078 4.418 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.463 -0.870 6.152 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.406 -2.180 5.403 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.689 -0.490 4.920 1.00 0.00 H new ATOM 0 HD21 LEU A 65 5.704 0.301 4.874 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.904 0.746 3.637 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.412 -0.103 3.165 1.00 0.00 H new ATOM 1072 N TYR A 66 5.505 -0.390 0.467 1.00 0.00 N ATOM 1073 CA TYR A 66 5.274 0.450 -0.697 1.00 0.00 C ATOM 1074 C TYR A 66 4.890 1.839 -0.200 1.00 0.00 C ATOM 1075 O TYR A 66 3.722 2.104 0.087 1.00 0.00 O ATOM 1076 CB TYR A 66 4.183 -0.138 -1.626 1.00 0.00 C ATOM 1077 CG TYR A 66 3.986 -1.650 -1.716 1.00 0.00 C ATOM 1078 CD1 TYR A 66 3.521 -2.354 -0.587 1.00 0.00 C ATOM 1079 CD2 TYR A 66 3.846 -2.252 -2.984 1.00 0.00 C ATOM 1080 CE1 TYR A 66 2.870 -3.586 -0.722 1.00 0.00 C ATOM 1081 CE2 TYR A 66 3.138 -3.462 -3.125 1.00 0.00 C ATOM 1082 CZ TYR A 66 2.597 -4.097 -1.995 1.00 0.00 C ATOM 1083 OH TYR A 66 1.826 -5.214 -2.123 1.00 0.00 O ATOM 0 H TYR A 66 4.780 -0.306 1.179 1.00 0.00 H new ATOM 0 HA TYR A 66 6.182 0.503 -1.297 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.230 0.295 -1.321 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.388 0.222 -2.634 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.669 -1.936 0.398 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.284 -1.782 -3.852 1.00 0.00 H new ATOM 0 HE1 TYR A 66 2.579 -4.142 0.157 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.011 -3.902 -4.103 1.00 0.00 H new ATOM 0 HH TYR A 66 1.730 -5.439 -3.072 1.00 0.00 H new ATOM 1093 N TYR A 67 5.901 2.694 -0.020 1.00 0.00 N ATOM 1094 CA TYR A 67 5.756 3.888 0.784 1.00 0.00 C ATOM 1095 C TYR A 67 6.291 5.112 0.081 1.00 0.00 C ATOM 1096 O TYR A 67 7.246 5.032 -0.682 1.00 0.00 O ATOM 1097 CB TYR A 67 6.457 3.710 2.123 1.00 0.00 C ATOM 1098 CG TYR A 67 7.912 3.291 2.103 1.00 0.00 C ATOM 1099 CD1 TYR A 67 8.269 1.951 1.859 1.00 0.00 C ATOM 1100 CD2 TYR A 67 8.878 4.190 2.581 1.00 0.00 C ATOM 1101 CE1 TYR A 67 9.568 1.507 2.148 1.00 0.00 C ATOM 1102 CE2 TYR A 67 10.171 3.742 2.891 1.00 0.00 C ATOM 1103 CZ TYR A 67 10.519 2.397 2.675 1.00 0.00 C ATOM 1104 OH TYR A 67 11.775 1.950 2.967 1.00 0.00 O ATOM 0 H TYR A 67 6.828 2.571 -0.427 1.00 0.00 H new ATOM 0 HA TYR A 67 4.689 4.041 0.949 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.386 4.652 2.667 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.902 2.968 2.697 1.00 0.00 H new ATOM 0 HD1 TYR A 67 7.543 1.265 1.449 1.00 0.00 H new ATOM 0 HD2 TYR A 67 8.625 5.232 2.711 1.00 0.00 H new ATOM 0 HE1 TYR A 67 9.838 0.477 1.965 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.899 4.430 3.295 1.00 0.00 H new ATOM 0 HH TYR A 67 12.311 2.690 3.322 1.00 0.00 H new ATOM 1114 N THR A 68 5.644 6.234 0.367 1.00 0.00 N ATOM 1115 CA THR A 68 5.853 7.496 -0.327 1.00 0.00 C ATOM 1116 C THR A 68 5.920 8.650 0.672 1.00 0.00 C ATOM 1117 O THR A 68 5.390 8.552 1.779 1.00 0.00 O ATOM 1118 CB THR A 68 4.738 7.707 -1.361 1.00 0.00 C ATOM 1119 OG1 THR A 68 5.053 8.824 -2.167 1.00 0.00 O ATOM 1120 CG2 THR A 68 3.366 7.917 -0.705 1.00 0.00 C ATOM 0 H THR A 68 4.943 6.292 1.106 1.00 0.00 H new ATOM 0 HA THR A 68 6.806 7.466 -0.855 1.00 0.00 H new ATOM 0 HB THR A 68 4.675 6.804 -1.968 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.716 8.565 -2.840 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.611 8.062 -1.478 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.110 7.042 -0.108 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.401 8.797 -0.063 1.00 0.00 H new ATOM 1128 N GLU A 69 6.528 9.759 0.248 1.00 0.00 N ATOM 1129 CA GLU A 69 6.573 11.010 0.982 1.00 0.00 C ATOM 1130 C GLU A 69 5.311 11.796 0.593 1.00 0.00 C ATOM 1131 O GLU A 69 5.320 12.548 -0.380 1.00 0.00 O ATOM 1132 CB GLU A 69 7.895 11.727 0.651 1.00 0.00 C ATOM 1133 CG GLU A 69 8.564 12.421 1.846 1.00 0.00 C ATOM 1134 CD GLU A 69 7.826 13.641 2.382 1.00 0.00 C ATOM 1135 OE1 GLU A 69 6.818 14.045 1.762 1.00 0.00 O ATOM 1136 OE2 GLU A 69 8.300 14.156 3.418 1.00 0.00 O ATOM 0 H GLU A 69 7.017 9.805 -0.646 1.00 0.00 H new ATOM 0 HA GLU A 69 6.566 10.882 2.064 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.592 11.001 0.233 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.706 12.470 -0.124 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.671 11.697 2.654 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.570 12.723 1.554 1.00 0.00 H new ATOM 1143 N PHE A 70 4.203 11.564 1.311 1.00 0.00 N ATOM 1144 CA PHE A 70 2.918 12.195 1.012 1.00 0.00 C ATOM 1145 C PHE A 70 2.794 13.550 1.702 1.00 0.00 C ATOM 1146 O PHE A 70 3.174 13.697 2.859 1.00 0.00 O ATOM 1147 CB PHE A 70 1.724 11.308 1.402 1.00 0.00 C ATOM 1148 CG PHE A 70 1.220 11.462 2.824 1.00 0.00 C ATOM 1149 CD1 PHE A 70 2.006 10.978 3.876 1.00 0.00 C ATOM 1150 CD2 PHE A 70 0.022 12.146 3.110 1.00 0.00 C ATOM 1151 CE1 PHE A 70 1.549 11.039 5.200 1.00 0.00 C ATOM 1152 CE2 PHE A 70 -0.342 12.364 4.449 1.00 0.00 C ATOM 1153 CZ PHE A 70 0.391 11.771 5.491 1.00 0.00 C ATOM 0 H PHE A 70 4.176 10.934 2.113 1.00 0.00 H new ATOM 0 HA PHE A 70 2.893 12.338 -0.068 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.900 11.521 0.720 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.005 10.266 1.248 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.976 10.552 3.665 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.610 12.499 2.308 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.084 10.527 5.987 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.191 12.991 4.679 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.062 11.879 6.514 1.00 0.00 H new ATOM 1163 N THR A 71 2.208 14.516 0.997 1.00 0.00 N ATOM 1164 CA THR A 71 1.903 15.843 1.514 1.00 0.00 C ATOM 1165 C THR A 71 0.395 16.054 1.354 1.00 0.00 C ATOM 1166 O THR A 71 -0.066 16.194 0.220 1.00 0.00 O ATOM 1167 CB THR A 71 2.706 16.904 0.745 1.00 0.00 C ATOM 1168 OG1 THR A 71 4.082 16.582 0.776 1.00 0.00 O ATOM 1169 CG2 THR A 71 2.499 18.282 1.385 1.00 0.00 C ATOM 0 H THR A 71 1.926 14.391 0.025 1.00 0.00 H new ATOM 0 HA THR A 71 2.180 15.934 2.564 1.00 0.00 H new ATOM 0 HB THR A 71 2.359 16.925 -0.288 1.00 0.00 H new ATOM 0 HG1 THR A 71 4.588 17.261 0.283 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.071 19.029 0.834 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.441 18.542 1.355 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.838 18.257 2.421 1.00 0.00 H new ATOM 1177 N PRO A 72 -0.394 16.052 2.439 1.00 0.00 N ATOM 1178 CA PRO A 72 -1.842 16.167 2.364 1.00 0.00 C ATOM 1179 C PRO A 72 -2.237 17.628 2.146 1.00 0.00 C ATOM 1180 O PRO A 72 -2.705 18.303 3.061 1.00 0.00 O ATOM 1181 CB PRO A 72 -2.355 15.585 3.682 1.00 0.00 C ATOM 1182 CG PRO A 72 -1.228 15.909 4.665 1.00 0.00 C ATOM 1183 CD PRO A 72 0.040 15.850 3.810 1.00 0.00 C ATOM 0 HA PRO A 72 -2.280 15.627 1.524 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.298 16.041 3.985 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.530 14.512 3.608 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -1.361 16.893 5.114 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.192 15.188 5.482 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.751 16.619 4.112 1.00 0.00 H new ATOM 0 HD3 PRO A 72 0.543 14.890 3.923 1.00 0.00 H new ATOM 1191 N THR A 73 -2.037 18.108 0.914 1.00 0.00 N ATOM 1192 CA THR A 73 -2.338 19.468 0.500 1.00 0.00 C ATOM 1193 C THR A 73 -3.849 19.690 0.553 1.00 0.00 C ATOM 1194 O THR A 73 -4.570 19.277 -0.353 1.00 0.00 O ATOM 1195 CB THR A 73 -1.779 19.728 -0.908 1.00 0.00 C ATOM 1196 OG1 THR A 73 -2.179 18.711 -1.799 1.00 0.00 O ATOM 1197 CG2 THR A 73 -0.248 19.789 -0.908 1.00 0.00 C ATOM 0 H THR A 73 -1.650 17.539 0.161 1.00 0.00 H new ATOM 0 HA THR A 73 -1.862 20.176 1.179 1.00 0.00 H new ATOM 0 HB THR A 73 -2.177 20.690 -1.229 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.157 18.693 -1.857 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.109 19.974 -1.921 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.084 20.595 -0.253 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.154 18.841 -0.549 1.00 0.00 H new ATOM 1205 N GLU A 74 -4.310 20.329 1.634 1.00 0.00 N ATOM 1206 CA GLU A 74 -5.703 20.611 1.937 1.00 0.00 C ATOM 1207 C GLU A 74 -6.570 19.351 1.903 1.00 0.00 C ATOM 1208 O GLU A 74 -6.718 18.691 2.930 1.00 0.00 O ATOM 1209 CB GLU A 74 -6.241 21.750 1.057 1.00 0.00 C ATOM 1210 CG GLU A 74 -5.597 23.086 1.444 1.00 0.00 C ATOM 1211 CD GLU A 74 -6.197 24.235 0.640 1.00 0.00 C ATOM 1212 OE1 GLU A 74 -7.364 24.578 0.929 1.00 0.00 O ATOM 1213 OE2 GLU A 74 -5.483 24.743 -0.251 1.00 0.00 O ATOM 0 H GLU A 74 -3.680 20.679 2.356 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.756 20.965 2.966 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -6.037 21.533 0.008 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.324 21.818 1.164 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -5.741 23.268 2.509 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -4.522 23.039 1.271 1.00 0.00 H new ATOM 1220 N LYS A 75 -7.169 19.045 0.746 1.00 0.00 N ATOM 1221 CA LYS A 75 -8.135 17.967 0.586 1.00 0.00 C ATOM 1222 C LYS A 75 -7.642 16.903 -0.401 1.00 0.00 C ATOM 1223 O LYS A 75 -8.450 16.138 -0.926 1.00 0.00 O ATOM 1224 CB LYS A 75 -9.484 18.565 0.165 1.00 0.00 C ATOM 1225 CG LYS A 75 -10.036 19.503 1.246 1.00 0.00 C ATOM 1226 CD LYS A 75 -11.432 19.992 0.848 1.00 0.00 C ATOM 1227 CE LYS A 75 -11.994 20.922 1.927 1.00 0.00 C ATOM 1228 NZ LYS A 75 -13.353 21.382 1.590 1.00 0.00 N ATOM 0 H LYS A 75 -6.988 19.554 -0.119 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.260 17.453 1.539 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.366 19.113 -0.770 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.198 17.763 -0.023 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.082 18.982 2.202 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.367 20.353 1.378 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.383 20.517 -0.106 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.098 19.140 0.709 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.012 20.401 2.884 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.336 21.783 2.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.703 22.010 2.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.331 21.900 0.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.985 20.561 1.502 1.00 0.00 H new ATOM 1242 N ASP A 76 -6.323 16.810 -0.617 1.00 0.00 N ATOM 1243 CA ASP A 76 -5.733 15.682 -1.326 1.00 0.00 C ATOM 1244 C ASP A 76 -5.799 14.450 -0.421 1.00 0.00 C ATOM 1245 O ASP A 76 -4.957 14.282 0.460 1.00 0.00 O ATOM 1246 CB ASP A 76 -4.283 15.979 -1.735 1.00 0.00 C ATOM 1247 CG ASP A 76 -4.194 16.803 -3.016 1.00 0.00 C ATOM 1248 OD1 ASP A 76 -4.701 17.945 -3.000 1.00 0.00 O ATOM 1249 OD2 ASP A 76 -3.598 16.282 -3.986 1.00 0.00 O ATOM 0 H ASP A 76 -5.648 17.509 -0.307 1.00 0.00 H new ATOM 0 HA ASP A 76 -6.293 15.499 -2.243 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -3.783 16.514 -0.927 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -3.748 15.039 -1.873 1.00 0.00 H new ATOM 1254 N GLU A 77 -6.791 13.584 -0.659 1.00 0.00 N ATOM 1255 CA GLU A 77 -6.861 12.252 -0.073 1.00 0.00 C ATOM 1256 C GLU A 77 -5.717 11.409 -0.642 1.00 0.00 C ATOM 1257 O GLU A 77 -5.293 11.646 -1.771 1.00 0.00 O ATOM 1258 CB GLU A 77 -8.222 11.632 -0.422 1.00 0.00 C ATOM 1259 CG GLU A 77 -8.458 10.266 0.235 1.00 0.00 C ATOM 1260 CD GLU A 77 -9.787 9.679 -0.224 1.00 0.00 C ATOM 1261 OE1 GLU A 77 -9.794 9.102 -1.333 1.00 0.00 O ATOM 1262 OE2 GLU A 77 -10.775 9.815 0.529 1.00 0.00 O ATOM 0 H GLU A 77 -7.576 13.798 -1.274 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.763 12.295 1.012 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.013 12.316 -0.115 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.296 11.524 -1.504 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.645 9.587 -0.021 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.455 10.372 1.320 1.00 0.00 H new ATOM 1269 N TYR A 78 -5.227 10.429 0.128 1.00 0.00 N ATOM 1270 CA TYR A 78 -4.290 9.420 -0.349 1.00 0.00 C ATOM 1271 C TYR A 78 -4.883 8.036 -0.099 1.00 0.00 C ATOM 1272 O TYR A 78 -5.524 7.800 0.926 1.00 0.00 O ATOM 1273 CB TYR A 78 -2.901 9.579 0.278 1.00 0.00 C ATOM 1274 CG TYR A 78 -2.114 10.779 -0.207 1.00 0.00 C ATOM 1275 CD1 TYR A 78 -2.547 12.078 0.107 1.00 0.00 C ATOM 1276 CD2 TYR A 78 -0.968 10.604 -1.002 1.00 0.00 C ATOM 1277 CE1 TYR A 78 -1.885 13.191 -0.431 1.00 0.00 C ATOM 1278 CE2 TYR A 78 -0.268 11.725 -1.486 1.00 0.00 C ATOM 1279 CZ TYR A 78 -0.722 13.020 -1.195 1.00 0.00 C ATOM 1280 OH TYR A 78 -0.039 14.107 -1.656 1.00 0.00 O ATOM 0 H TYR A 78 -5.477 10.319 1.111 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.141 9.552 -1.421 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.013 9.650 1.360 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.322 8.678 0.076 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.392 12.220 0.764 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -0.624 9.609 -1.242 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -2.273 14.184 -0.256 1.00 0.00 H new ATOM 0 HE2 TYR A 78 0.621 11.588 -2.083 1.00 0.00 H new ATOM 0 HH TYR A 78 -0.065 14.819 -0.983 1.00 0.00 H new ATOM 1290 N ALA A 79 -4.680 7.133 -1.062 1.00 0.00 N ATOM 1291 CA ALA A 79 -5.164 5.766 -1.026 1.00 0.00 C ATOM 1292 C ALA A 79 -4.146 4.870 -1.720 1.00 0.00 C ATOM 1293 O ALA A 79 -3.192 5.352 -2.333 1.00 0.00 O ATOM 1294 CB ALA A 79 -6.539 5.676 -1.700 1.00 0.00 C ATOM 0 H ALA A 79 -4.157 7.348 -1.911 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.282 5.435 0.006 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -6.893 4.646 -1.668 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.245 6.319 -1.174 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -6.457 5.999 -2.738 1.00 0.00 H new ATOM 1300 N CYS A 80 -4.350 3.558 -1.597 1.00 0.00 N ATOM 1301 CA CYS A 80 -3.456 2.542 -2.112 1.00 0.00 C ATOM 1302 C CYS A 80 -4.298 1.477 -2.794 1.00 0.00 C ATOM 1303 O CYS A 80 -5.185 0.887 -2.178 1.00 0.00 O ATOM 1304 CB CYS A 80 -2.606 1.986 -0.965 1.00 0.00 C ATOM 1305 SG CYS A 80 -1.262 3.115 -0.517 1.00 0.00 S ATOM 0 H CYS A 80 -5.166 3.171 -1.122 1.00 0.00 H new ATOM 0 HA CYS A 80 -2.763 2.949 -2.848 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -3.239 1.811 -0.095 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -2.189 1.022 -1.255 1.00 0.00 H new ATOM 1310 N ARG A 81 -4.015 1.243 -4.079 1.00 0.00 N ATOM 1311 CA ARG A 81 -4.612 0.156 -4.832 1.00 0.00 C ATOM 1312 C ARG A 81 -4.176 -1.163 -4.196 1.00 0.00 C ATOM 1313 O ARG A 81 -3.063 -1.250 -3.686 1.00 0.00 O ATOM 1314 CB ARG A 81 -4.131 0.254 -6.281 1.00 0.00 C ATOM 1315 CG ARG A 81 -4.678 -0.865 -7.169 1.00 0.00 C ATOM 1316 CD ARG A 81 -4.052 -0.764 -8.560 1.00 0.00 C ATOM 1317 NE ARG A 81 -4.618 -1.783 -9.448 1.00 0.00 N ATOM 1318 CZ ARG A 81 -3.957 -2.434 -10.420 1.00 0.00 C ATOM 1319 NH1 ARG A 81 -2.743 -2.037 -10.826 1.00 0.00 N ATOM 1320 NH2 ARG A 81 -4.523 -3.507 -10.986 1.00 0.00 N ATOM 0 H ARG A 81 -3.362 1.809 -4.621 1.00 0.00 H new ATOM 0 HA ARG A 81 -5.701 0.210 -4.819 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.431 1.217 -6.693 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -3.042 0.225 -6.299 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.454 -1.836 -6.728 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.763 -0.790 -7.240 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -4.229 0.228 -8.975 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.972 -0.892 -8.490 1.00 0.00 H new ATOM 0 HE ARG A 81 -5.602 -2.019 -9.317 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -2.302 -1.225 -10.395 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -2.261 -2.547 -11.566 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -5.444 -3.820 -10.678 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -4.034 -4.012 -11.725 1.00 0.00 H new ATOM 1334 N VAL A 82 -5.031 -2.190 -4.214 1.00 0.00 N ATOM 1335 CA VAL A 82 -4.661 -3.516 -3.769 1.00 0.00 C ATOM 1336 C VAL A 82 -5.220 -4.509 -4.784 1.00 0.00 C ATOM 1337 O VAL A 82 -6.419 -4.784 -4.767 1.00 0.00 O ATOM 1338 CB VAL A 82 -5.203 -3.764 -2.351 1.00 0.00 C ATOM 1339 CG1 VAL A 82 -4.598 -5.060 -1.817 1.00 0.00 C ATOM 1340 CG2 VAL A 82 -4.871 -2.623 -1.379 1.00 0.00 C ATOM 0 H VAL A 82 -5.995 -2.115 -4.539 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.579 -3.632 -3.713 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.289 -3.827 -2.420 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.973 -5.249 -0.811 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.876 -5.887 -2.470 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.512 -4.970 -1.788 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.279 -2.853 -0.395 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.789 -2.510 -1.307 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.309 -1.694 -1.745 1.00 0.00 H new ATOM 1350 N ASN A 83 -4.361 -5.038 -5.667 1.00 0.00 N ATOM 1351 CA ASN A 83 -4.735 -6.098 -6.590 1.00 0.00 C ATOM 1352 C ASN A 83 -3.696 -7.216 -6.540 1.00 0.00 C ATOM 1353 O ASN A 83 -2.800 -7.263 -7.379 1.00 0.00 O ATOM 1354 CB ASN A 83 -4.902 -5.548 -8.013 1.00 0.00 C ATOM 1355 CG ASN A 83 -5.620 -6.559 -8.902 1.00 0.00 C ATOM 1356 OD1 ASN A 83 -6.643 -7.105 -8.504 1.00 0.00 O ATOM 1357 ND2 ASN A 83 -5.099 -6.820 -10.101 1.00 0.00 N ATOM 0 H ASN A 83 -3.390 -4.738 -5.755 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.698 -6.510 -6.288 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.467 -4.616 -7.984 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -3.924 -5.315 -8.435 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -5.553 -7.492 -10.719 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -4.246 -6.347 -10.400 1.00 0.00 H new ATOM 1364 N HIS A 84 -3.826 -8.133 -5.573 1.00 0.00 N ATOM 1365 CA HIS A 84 -3.082 -9.388 -5.573 1.00 0.00 C ATOM 1366 C HIS A 84 -3.697 -10.273 -6.662 1.00 0.00 C ATOM 1367 O HIS A 84 -4.831 -10.038 -7.084 1.00 0.00 O ATOM 1368 CB HIS A 84 -3.225 -10.055 -4.203 1.00 0.00 C ATOM 1369 CG HIS A 84 -2.477 -11.358 -4.062 1.00 0.00 C ATOM 1370 ND1 HIS A 84 -3.150 -12.576 -4.099 1.00 0.00 N ATOM 1371 CD2 HIS A 84 -1.140 -11.601 -3.885 1.00 0.00 C ATOM 1372 CE1 HIS A 84 -2.216 -13.501 -3.878 1.00 0.00 C ATOM 1373 NE2 HIS A 84 -0.993 -12.966 -3.740 1.00 0.00 N ATOM 0 H HIS A 84 -4.449 -8.022 -4.773 1.00 0.00 H new ATOM 0 HA HIS A 84 -2.022 -9.226 -5.768 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -2.873 -9.364 -3.437 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -4.282 -10.234 -4.009 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -0.351 -10.864 -3.863 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -2.420 -14.560 -3.817 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -0.124 -13.470 -3.563 1.00 0.00 H new ATOM 1381 N VAL A 85 -2.977 -11.307 -7.102 1.00 0.00 N ATOM 1382 CA VAL A 85 -3.493 -12.224 -8.112 1.00 0.00 C ATOM 1383 C VAL A 85 -4.813 -12.874 -7.675 1.00 0.00 C ATOM 1384 O VAL A 85 -5.712 -13.043 -8.498 1.00 0.00 O ATOM 1385 CB VAL A 85 -2.422 -13.247 -8.523 1.00 0.00 C ATOM 1386 CG1 VAL A 85 -2.035 -14.219 -7.403 1.00 0.00 C ATOM 1387 CG2 VAL A 85 -2.871 -14.034 -9.760 1.00 0.00 C ATOM 0 H VAL A 85 -2.037 -11.527 -6.773 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.733 -11.645 -9.004 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.530 -12.664 -8.755 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.275 -14.910 -7.768 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.640 -13.659 -6.556 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.915 -14.780 -7.088 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.099 -14.753 -10.034 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.797 -14.564 -9.538 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.037 -13.346 -10.589 1.00 0.00 H new ATOM 1397 N THR A 86 -4.947 -13.217 -6.386 1.00 0.00 N ATOM 1398 CA THR A 86 -6.140 -13.872 -5.865 1.00 0.00 C ATOM 1399 C THR A 86 -7.315 -12.902 -5.699 1.00 0.00 C ATOM 1400 O THR A 86 -8.460 -13.348 -5.690 1.00 0.00 O ATOM 1401 CB THR A 86 -5.818 -14.694 -4.608 1.00 0.00 C ATOM 1402 OG1 THR A 86 -6.703 -15.793 -4.518 1.00 0.00 O ATOM 1403 CG2 THR A 86 -5.919 -13.904 -3.306 1.00 0.00 C ATOM 0 H THR A 86 -4.229 -13.046 -5.682 1.00 0.00 H new ATOM 0 HA THR A 86 -6.483 -14.589 -6.611 1.00 0.00 H new ATOM 0 HB THR A 86 -4.781 -15.011 -4.721 1.00 0.00 H new ATOM 0 HG1 THR A 86 -7.593 -15.523 -4.827 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.677 -14.555 -2.466 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.219 -13.069 -3.332 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.934 -13.523 -3.189 1.00 0.00 H new ATOM 1411 N LEU A 87 -7.057 -11.586 -5.619 1.00 0.00 N ATOM 1412 CA LEU A 87 -8.117 -10.595 -5.741 1.00 0.00 C ATOM 1413 C LEU A 87 -8.579 -10.552 -7.194 1.00 0.00 C ATOM 1414 O LEU A 87 -9.751 -10.798 -7.469 1.00 0.00 O ATOM 1415 CB LEU A 87 -7.637 -9.208 -5.289 1.00 0.00 C ATOM 1416 CG LEU A 87 -7.933 -8.920 -3.811 1.00 0.00 C ATOM 1417 CD1 LEU A 87 -7.314 -9.956 -2.869 1.00 0.00 C ATOM 1418 CD2 LEU A 87 -7.394 -7.529 -3.460 1.00 0.00 C ATOM 0 H LEU A 87 -6.127 -11.194 -5.471 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.948 -10.877 -5.094 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.564 -9.128 -5.461 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.116 -8.446 -5.904 1.00 0.00 H new ATOM 0 HG LEU A 87 -9.013 -8.969 -3.676 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.557 -9.701 -1.837 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.713 -10.943 -3.102 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.231 -9.963 -2.996 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.599 -7.313 -2.411 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.318 -7.501 -3.633 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.881 -6.781 -4.086 1.00 0.00 H new ATOM 1430 N SER A 88 -7.672 -10.176 -8.106 1.00 0.00 N ATOM 1431 CA SER A 88 -7.943 -9.917 -9.518 1.00 0.00 C ATOM 1432 C SER A 88 -8.744 -8.624 -9.745 1.00 0.00 C ATOM 1433 O SER A 88 -8.533 -7.959 -10.758 1.00 0.00 O ATOM 1434 CB SER A 88 -8.578 -11.132 -10.210 1.00 0.00 C ATOM 1435 OG SER A 88 -8.495 -10.983 -11.613 1.00 0.00 O ATOM 0 H SER A 88 -6.690 -10.040 -7.865 1.00 0.00 H new ATOM 0 HA SER A 88 -6.976 -9.752 -9.994 1.00 0.00 H new ATOM 0 HB2 SER A 88 -8.068 -12.045 -9.902 1.00 0.00 H new ATOM 0 HB3 SER A 88 -9.620 -11.231 -9.907 1.00 0.00 H new ATOM 0 HG SER A 88 -8.900 -11.761 -12.049 1.00 0.00 H new ATOM 1441 N GLN A 89 -9.632 -8.249 -8.810 1.00 0.00 N ATOM 1442 CA GLN A 89 -10.354 -6.986 -8.812 1.00 0.00 C ATOM 1443 C GLN A 89 -9.606 -6.003 -7.900 1.00 0.00 C ATOM 1444 O GLN A 89 -9.339 -6.342 -6.748 1.00 0.00 O ATOM 1445 CB GLN A 89 -11.782 -7.203 -8.301 1.00 0.00 C ATOM 1446 CG GLN A 89 -12.572 -8.160 -9.204 1.00 0.00 C ATOM 1447 CD GLN A 89 -14.005 -8.370 -8.716 1.00 0.00 C ATOM 1448 OE1 GLN A 89 -14.377 -7.930 -7.631 1.00 0.00 O ATOM 1449 NE2 GLN A 89 -14.819 -9.051 -9.524 1.00 0.00 N ATOM 0 H GLN A 89 -9.867 -8.840 -8.013 1.00 0.00 H new ATOM 0 HA GLN A 89 -10.410 -6.584 -9.823 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -11.748 -7.604 -7.288 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -12.298 -6.245 -8.247 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -12.591 -7.765 -10.220 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -12.060 -9.122 -9.246 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -14.474 -9.401 -10.418 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -15.786 -9.222 -9.248 1.00 0.00 H new ATOM 1458 N PRO A 90 -9.251 -4.800 -8.380 1.00 0.00 N ATOM 1459 CA PRO A 90 -8.423 -3.860 -7.639 1.00 0.00 C ATOM 1460 C PRO A 90 -9.229 -3.159 -6.537 1.00 0.00 C ATOM 1461 O PRO A 90 -9.982 -2.225 -6.809 1.00 0.00 O ATOM 1462 CB PRO A 90 -7.913 -2.887 -8.705 1.00 0.00 C ATOM 1463 CG PRO A 90 -9.041 -2.854 -9.734 1.00 0.00 C ATOM 1464 CD PRO A 90 -9.525 -4.302 -9.720 1.00 0.00 C ATOM 0 HA PRO A 90 -7.600 -4.343 -7.112 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -7.723 -1.898 -8.287 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -6.978 -3.231 -9.147 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -9.830 -2.157 -9.452 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -8.686 -2.552 -10.719 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -10.589 -4.361 -9.949 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -9.004 -4.895 -10.472 1.00 0.00 H new ATOM 1472 N LYS A 91 -9.055 -3.601 -5.285 1.00 0.00 N ATOM 1473 CA LYS A 91 -9.720 -3.030 -4.120 1.00 0.00 C ATOM 1474 C LYS A 91 -8.915 -1.818 -3.649 1.00 0.00 C ATOM 1475 O LYS A 91 -7.833 -1.979 -3.091 1.00 0.00 O ATOM 1476 CB LYS A 91 -9.846 -4.107 -3.031 1.00 0.00 C ATOM 1477 CG LYS A 91 -10.581 -3.606 -1.780 1.00 0.00 C ATOM 1478 CD LYS A 91 -10.816 -4.774 -0.810 1.00 0.00 C ATOM 1479 CE LYS A 91 -11.508 -4.328 0.485 1.00 0.00 C ATOM 1480 NZ LYS A 91 -12.850 -3.774 0.233 1.00 0.00 N ATOM 0 H LYS A 91 -8.436 -4.379 -5.056 1.00 0.00 H new ATOM 0 HA LYS A 91 -10.728 -2.694 -4.363 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.376 -4.968 -3.438 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.851 -4.450 -2.749 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.996 -2.827 -1.291 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -11.534 -3.158 -2.062 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -11.424 -5.534 -1.301 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.861 -5.239 -0.567 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -11.588 -5.177 1.164 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.894 -3.578 0.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -13.315 -3.564 1.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -12.766 -2.900 -0.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -13.418 -4.467 -0.295 1.00 0.00 H new ATOM 1494 N ILE A 92 -9.427 -0.605 -3.892 1.00 0.00 N ATOM 1495 CA ILE A 92 -8.710 0.620 -3.579 1.00 0.00 C ATOM 1496 C ILE A 92 -8.907 0.962 -2.100 1.00 0.00 C ATOM 1497 O ILE A 92 -9.860 1.648 -1.733 1.00 0.00 O ATOM 1498 CB ILE A 92 -9.133 1.765 -4.519 1.00 0.00 C ATOM 1499 CG1 ILE A 92 -9.240 1.357 -6.002 1.00 0.00 C ATOM 1500 CG2 ILE A 92 -8.135 2.918 -4.353 1.00 0.00 C ATOM 1501 CD1 ILE A 92 -7.982 0.701 -6.578 1.00 0.00 C ATOM 0 H ILE A 92 -10.346 -0.454 -4.309 1.00 0.00 H new ATOM 0 HA ILE A 92 -7.643 0.473 -3.746 1.00 0.00 H new ATOM 0 HB ILE A 92 -10.140 2.067 -4.232 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -10.077 0.668 -6.116 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -9.474 2.243 -6.592 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.416 3.740 -5.011 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -8.144 3.261 -3.318 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -7.134 2.573 -4.612 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -8.150 0.448 -7.625 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.143 1.393 -6.502 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -7.756 -0.206 -6.018 1.00 0.00 H new ATOM 1513 N VAL A 93 -7.997 0.472 -1.251 1.00 0.00 N ATOM 1514 CA VAL A 93 -8.021 0.714 0.183 1.00 0.00 C ATOM 1515 C VAL A 93 -7.536 2.139 0.455 1.00 0.00 C ATOM 1516 O VAL A 93 -6.380 2.468 0.190 1.00 0.00 O ATOM 1517 CB VAL A 93 -7.163 -0.336 0.912 1.00 0.00 C ATOM 1518 CG1 VAL A 93 -7.071 -0.026 2.413 1.00 0.00 C ATOM 1519 CG2 VAL A 93 -7.764 -1.737 0.733 1.00 0.00 C ATOM 0 H VAL A 93 -7.216 -0.111 -1.551 1.00 0.00 H new ATOM 0 HA VAL A 93 -9.038 0.619 0.565 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.164 -0.304 0.477 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.459 -0.783 2.904 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -6.617 0.955 2.555 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -8.071 -0.030 2.847 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -7.146 -2.468 1.254 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -8.773 -1.756 1.145 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.801 -1.984 -0.328 1.00 0.00 H new ATOM 1529 N LYS A 94 -8.424 2.975 1.001 1.00 0.00 N ATOM 1530 CA LYS A 94 -8.095 4.321 1.440 1.00 0.00 C ATOM 1531 C LYS A 94 -7.256 4.274 2.714 1.00 0.00 C ATOM 1532 O LYS A 94 -7.444 3.398 3.557 1.00 0.00 O ATOM 1533 CB LYS A 94 -9.379 5.121 1.684 1.00 0.00 C ATOM 1534 CG LYS A 94 -10.143 5.357 0.376 1.00 0.00 C ATOM 1535 CD LYS A 94 -11.375 6.229 0.646 1.00 0.00 C ATOM 1536 CE LYS A 94 -12.247 6.405 -0.603 1.00 0.00 C ATOM 1537 NZ LYS A 94 -11.504 6.999 -1.729 1.00 0.00 N ATOM 0 H LYS A 94 -9.402 2.726 1.149 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.514 4.812 0.659 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -10.016 4.586 2.388 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.132 6.079 2.142 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -9.494 5.843 -0.352 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -10.448 4.403 -0.055 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -11.969 5.779 1.441 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -11.054 7.207 1.003 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -12.644 5.436 -0.905 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -13.101 7.038 -0.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -12.166 7.238 -2.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -11.019 7.861 -1.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -10.802 6.317 -2.080 1.00 0.00 H new ATOM 1551 N TRP A 95 -6.344 5.242 2.850 1.00 0.00 N ATOM 1552 CA TRP A 95 -5.624 5.495 4.085 1.00 0.00 C ATOM 1553 C TRP A 95 -6.429 6.507 4.897 1.00 0.00 C ATOM 1554 O TRP A 95 -6.725 7.593 4.400 1.00 0.00 O ATOM 1555 CB TRP A 95 -4.239 6.054 3.762 1.00 0.00 C ATOM 1556 CG TRP A 95 -3.527 6.700 4.909 1.00 0.00 C ATOM 1557 CD1 TRP A 95 -3.088 6.109 6.043 1.00 0.00 C ATOM 1558 CD2 TRP A 95 -3.224 8.112 5.058 1.00 0.00 C ATOM 1559 NE1 TRP A 95 -2.476 7.050 6.850 1.00 0.00 N ATOM 1560 CE2 TRP A 95 -2.638 8.321 6.337 1.00 0.00 C ATOM 1561 CE3 TRP A 95 -3.357 9.232 4.217 1.00 0.00 C ATOM 1562 CZ2 TRP A 95 -2.308 9.602 6.801 1.00 0.00 C ATOM 1563 CZ3 TRP A 95 -2.975 10.510 4.646 1.00 0.00 C ATOM 1564 CH2 TRP A 95 -2.544 10.705 5.966 1.00 0.00 C ATOM 0 H TRP A 95 -6.088 5.875 2.092 1.00 0.00 H new ATOM 0 HA TRP A 95 -5.498 4.575 4.656 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -3.618 5.244 3.380 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -4.338 6.785 2.959 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -3.199 5.062 6.282 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -1.972 6.834 7.710 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -3.761 9.104 3.223 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -1.880 9.738 7.783 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -3.012 11.344 3.961 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -2.393 11.707 6.341 1.00 0.00 H new ATOM 1575 N ASP A 96 -6.760 6.150 6.142 1.00 0.00 N ATOM 1576 CA ASP A 96 -7.538 6.987 7.043 1.00 0.00 C ATOM 1577 C ASP A 96 -6.844 7.074 8.399 1.00 0.00 C ATOM 1578 O ASP A 96 -7.340 6.575 9.407 1.00 0.00 O ATOM 1579 CB ASP A 96 -8.958 6.457 7.159 1.00 0.00 C ATOM 1580 CG ASP A 96 -9.701 6.498 5.826 1.00 0.00 C ATOM 1581 OD1 ASP A 96 -10.273 7.568 5.527 1.00 0.00 O ATOM 1582 OD2 ASP A 96 -9.680 5.461 5.127 1.00 0.00 O ATOM 0 H ASP A 96 -6.488 5.257 6.552 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.603 7.998 6.640 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -8.932 5.431 7.527 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -9.505 7.046 7.896 1.00 0.00 H new ATOM 1587 N ARG A 97 -5.689 7.741 8.390 1.00 0.00 N ATOM 1588 CA ARG A 97 -4.822 7.973 9.539 1.00 0.00 C ATOM 1589 C ARG A 97 -4.468 6.664 10.258 1.00 0.00 C ATOM 1590 O ARG A 97 -5.051 6.332 11.287 1.00 0.00 O ATOM 1591 CB ARG A 97 -5.442 9.029 10.466 1.00 0.00 C ATOM 1592 CG ARG A 97 -4.400 9.560 11.460 1.00 0.00 C ATOM 1593 CD ARG A 97 -4.994 10.631 12.380 1.00 0.00 C ATOM 1594 NE ARG A 97 -5.388 11.828 11.624 1.00 0.00 N ATOM 1595 CZ ARG A 97 -5.884 12.953 12.166 1.00 0.00 C ATOM 1596 NH1 ARG A 97 -6.054 13.058 13.492 1.00 0.00 N ATOM 1597 NH2 ARG A 97 -6.213 13.980 11.370 1.00 0.00 N ATOM 0 H ARG A 97 -5.317 8.154 7.535 1.00 0.00 H new ATOM 0 HA ARG A 97 -3.872 8.375 9.187 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -5.838 9.853 9.873 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -6.281 8.595 11.009 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -4.016 8.736 12.061 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -3.554 9.977 10.913 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -5.862 10.225 12.900 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -4.264 10.904 13.142 1.00 0.00 H new ATOM 0 HE ARG A 97 -5.276 11.803 10.610 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -5.806 12.279 14.101 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -6.431 13.917 13.891 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -6.086 13.904 10.361 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -6.590 14.838 11.773 1.00 0.00 H new ATOM 1611 N ASP A 98 -3.475 5.956 9.707 1.00 0.00 N ATOM 1612 CA ASP A 98 -2.819 4.785 10.259 1.00 0.00 C ATOM 1613 C ASP A 98 -3.816 3.650 10.535 1.00 0.00 C ATOM 1614 O ASP A 98 -4.312 3.508 11.651 1.00 0.00 O ATOM 1615 CB ASP A 98 -1.998 5.220 11.476 1.00 0.00 C ATOM 1616 CG ASP A 98 -0.874 4.242 11.802 1.00 0.00 C ATOM 1617 OD1 ASP A 98 -1.191 3.121 12.253 1.00 0.00 O ATOM 1618 OD2 ASP A 98 0.293 4.635 11.575 1.00 0.00 O ATOM 0 H ASP A 98 -3.088 6.212 8.799 1.00 0.00 H new ATOM 0 HA ASP A 98 -2.129 4.355 9.533 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -1.574 6.207 11.290 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.656 5.313 12.340 1.00 0.00 H new ATOM 1623 N MET A 99 -4.114 2.859 9.496 1.00 0.00 N ATOM 1624 CA MET A 99 -5.041 1.736 9.529 1.00 0.00 C ATOM 1625 C MET A 99 -4.357 0.506 8.925 1.00 0.00 C ATOM 1626 O MET A 99 -3.828 -0.302 9.720 1.00 0.00 O ATOM 1627 CB MET A 99 -6.325 2.098 8.764 1.00 0.00 C ATOM 1628 CG MET A 99 -7.105 3.252 9.409 1.00 0.00 C ATOM 1629 SD MET A 99 -7.642 3.029 11.130 1.00 0.00 S ATOM 1630 CE MET A 99 -8.705 1.572 10.954 1.00 0.00 C ATOM 1631 OXT MET A 99 -4.366 0.388 7.679 1.00 0.00 O ATOM 0 H MET A 99 -3.696 2.995 8.576 1.00 0.00 H new ATOM 0 HA MET A 99 -5.320 1.507 10.558 1.00 0.00 H new ATOM 0 HB2 MET A 99 -6.067 2.369 7.740 1.00 0.00 H new ATOM 0 HB3 MET A 99 -6.968 1.219 8.708 1.00 0.00 H new ATOM 0 HG2 MET A 99 -6.485 4.147 9.362 1.00 0.00 H new ATOM 0 HG3 MET A 99 -7.989 3.444 8.801 1.00 0.00 H new ATOM 0 HE1 MET A 99 -9.214 1.377 11.898 1.00 0.00 H new ATOM 0 HE2 MET A 99 -9.444 1.753 10.174 1.00 0.00 H new ATOM 0 HE3 MET A 99 -8.097 0.708 10.684 1.00 0.00 H new TER 1641 MET A 99