USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 960 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 15 HIS : no HE2:sc= -0.715 K(o=-0.69,f=-1.6) USER MOD Set 1.2: A 89 THR OG1 : rot 180:sc= 0.0262 USER MOD Set 2.1: A 74 ASN : amide:sc= -4.4! C(o=-5!,f=-7.3!) USER MOD Set 2.2: A 77 ASN :FLIP amide:sc= -0.605 F(o=-5.7,f=-5) USER MOD Set 3.1: A 65 ASN : amide:sc= -0.262 X(o=-0.22,f=0.038) USER MOD Set 3.2: A 72 SER OG : rot 79:sc= 0.0381 USER MOD Set 4.1: A 51 THR OG1 : rot 161:sc= 0.122 USER MOD Set 4.2: A 53 TYR OH : rot 30:sc= 0.156 USER MOD Set 5.1: A 24 SER OG : rot -25:sc= 0.776 USER MOD Set 5.2: A 27 ASN :FLIP amide:sc= -0.674 F(o=-2.9!,f=0.1) USER MOD Single : A 1 LYS N :NH3+ -159:sc= -0.324 (180deg=-1.07) USER MOD Single : A 1 LYS NZ :NH3+ -155:sc= -0.151 (180deg=-0.604) USER MOD Single : A 12 MET CE :methyl 143:sc= -10.2! (180deg=-15.7!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.496 X(o=-0.5,f=-0.089) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -123:sc= -0.299 (180deg=-0.855) USER MOD Single : A 36 SER OG : rot -95:sc= -1.55! USER MOD Single : A 37 ASN : amide:sc= -0.0322 X(o=-0.032,f=-0.35) USER MOD Single : A 39 ASN : amide:sc= -0.518 K(o=-0.52,f=-5.1!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN :FLIP amide:sc= 0 F(o=-0.56,f=0) USER MOD Single : A 43 THR OG1 : rot 180:sc=-0.00557 USER MOD Single : A 44 ASN : amide:sc= -0.0446 X(o=-0.045,f=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0.36) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 29:sc= 0.54 USER MOD Single : A 57 GLN : amide:sc= -1.82! C(o=-1.8!,f=-1.8!) USER MOD Single : A 59 ASN : amide:sc= -3.54! C(o=-3.5!,f=-7.7!) USER MOD Single : A 60 SER OG : rot -111:sc= 0.63 USER MOD Single : A 69 THR OG1 : rot 74:sc= 0.146 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -50:sc= 0.341 USER MOD Single : A 91 SER OG : rot 180:sc= -0.957 USER MOD Single : A 93 ASN : amide:sc= -0.0875 X(o=-0.088,f=0.17) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -28:sc= 0.26 USER MOD Single : A 103 ASN : amide:sc= -1.62! C(o=-1.6!,f=-1.6!) USER MOD Single : A 105 MET CE :methyl -129:sc= -0.412 (180deg=-2.12) USER MOD Single : A 106 ASN : amide:sc= -0.852 K(o=-0.85,f=-1.9!) USER MOD Single : A 113 ASN : amide:sc= -0.0559 X(o=-0.056,f=-0.27) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot -59:sc= 0.998 USER MOD Single : A 121 GLN : amide:sc= -0.138 K(o=-0.14,f=-0.67) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -7.448 -10.323 1.085 1.00 0.00 N ATOM 2 CA LYS A 1 -6.115 -10.963 0.936 1.00 0.00 C ATOM 3 C LYS A 1 -5.019 -9.918 0.751 1.00 0.00 C ATOM 4 O LYS A 1 -5.109 -9.060 -0.124 1.00 0.00 O ATOM 5 CB LYS A 1 -6.156 -11.902 -0.272 1.00 0.00 C ATOM 6 CG LYS A 1 -7.416 -12.749 -0.344 1.00 0.00 C ATOM 7 CD LYS A 1 -7.492 -13.523 -1.650 1.00 0.00 C ATOM 8 CE LYS A 1 -8.066 -12.671 -2.771 1.00 0.00 C ATOM 9 NZ LYS A 1 -9.477 -12.276 -2.501 1.00 0.00 N ATOM 0 H1 LYS A 1 -8.101 -10.985 1.551 1.00 0.00 H new ATOM 0 H2 LYS A 1 -7.357 -9.462 1.661 1.00 0.00 H new ATOM 0 H3 LYS A 1 -7.820 -10.073 0.146 1.00 0.00 H new ATOM 0 HA LYS A 1 -5.885 -11.524 1.842 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -6.074 -11.311 -1.184 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -5.288 -12.560 -0.239 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -7.436 -13.445 0.495 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -8.293 -12.108 -0.248 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -6.496 -13.868 -1.928 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -8.110 -14.410 -1.513 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -7.456 -11.776 -2.896 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -8.017 -13.224 -3.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -9.962 -12.084 -3.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -9.964 -13.048 -2.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -9.491 -11.420 -1.911 1.00 0.00 H new ATOM 25 N VAL A 2 -3.989 -9.995 1.587 1.00 0.00 N ATOM 26 CA VAL A 2 -2.874 -9.056 1.523 1.00 0.00 C ATOM 27 C VAL A 2 -1.654 -9.696 0.867 1.00 0.00 C ATOM 28 O VAL A 2 -1.330 -10.852 1.144 1.00 0.00 O ATOM 29 CB VAL A 2 -2.482 -8.566 2.936 1.00 0.00 C ATOM 30 CG1 VAL A 2 -1.187 -7.771 2.900 1.00 0.00 C ATOM 31 CG2 VAL A 2 -3.593 -7.729 3.544 1.00 0.00 C ATOM 0 H VAL A 2 -3.903 -10.700 2.319 1.00 0.00 H new ATOM 0 HA VAL A 2 -3.203 -8.208 0.923 1.00 0.00 H new ATOM 0 HB VAL A 2 -2.327 -9.446 3.560 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.936 -7.439 3.907 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.385 -8.400 2.514 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.311 -6.903 2.252 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.295 -7.395 4.538 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.783 -6.862 2.912 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.500 -8.328 3.619 1.00 0.00 H new ATOM 41 N PHE A 3 -0.956 -8.936 0.023 1.00 0.00 N ATOM 42 CA PHE A 3 0.247 -9.433 -0.628 1.00 0.00 C ATOM 43 C PHE A 3 1.387 -9.503 0.374 1.00 0.00 C ATOM 44 O PHE A 3 1.296 -8.958 1.475 1.00 0.00 O ATOM 45 CB PHE A 3 0.674 -8.508 -1.771 1.00 0.00 C ATOM 46 CG PHE A 3 -0.217 -8.538 -2.973 1.00 0.00 C ATOM 47 CD1 PHE A 3 -0.473 -9.724 -3.638 1.00 0.00 C ATOM 48 CD2 PHE A 3 -0.781 -7.369 -3.449 1.00 0.00 C ATOM 49 CE1 PHE A 3 -1.282 -9.741 -4.756 1.00 0.00 C ATOM 50 CE2 PHE A 3 -1.586 -7.379 -4.566 1.00 0.00 C ATOM 51 CZ PHE A 3 -1.839 -8.567 -5.222 1.00 0.00 C ATOM 0 H PHE A 3 -1.205 -7.978 -0.223 1.00 0.00 H new ATOM 0 HA PHE A 3 0.024 -10.423 -1.025 1.00 0.00 H new ATOM 0 HB2 PHE A 3 0.718 -7.486 -1.395 1.00 0.00 H new ATOM 0 HB3 PHE A 3 1.684 -8.778 -2.079 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -0.036 -10.644 -3.279 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -0.588 -6.437 -2.939 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -1.479 -10.672 -5.266 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -2.019 -6.458 -4.929 1.00 0.00 H new ATOM 0 HZ PHE A 3 -2.471 -8.578 -6.098 1.00 0.00 H new ATOM 61 N GLY A 4 2.470 -10.152 -0.022 1.00 0.00 N ATOM 62 CA GLY A 4 3.628 -10.254 0.842 1.00 0.00 C ATOM 63 C GLY A 4 4.592 -9.110 0.604 1.00 0.00 C ATOM 64 O GLY A 4 4.190 -8.045 0.136 1.00 0.00 O ATOM 0 H GLY A 4 2.569 -10.611 -0.928 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.309 -10.253 1.884 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.135 -11.203 0.665 1.00 0.00 H new ATOM 68 N ARG A 5 5.864 -9.323 0.914 1.00 0.00 N ATOM 69 CA ARG A 5 6.871 -8.288 0.714 1.00 0.00 C ATOM 70 C ARG A 5 7.491 -8.399 -0.668 1.00 0.00 C ATOM 71 O ARG A 5 7.450 -7.447 -1.449 1.00 0.00 O ATOM 72 CB ARG A 5 7.955 -8.377 1.790 1.00 0.00 C ATOM 73 CG ARG A 5 7.423 -8.213 3.204 1.00 0.00 C ATOM 74 CD ARG A 5 8.543 -8.278 4.230 1.00 0.00 C ATOM 75 NE ARG A 5 8.534 -9.537 4.970 1.00 0.00 N ATOM 76 CZ ARG A 5 7.784 -9.756 6.046 1.00 0.00 C ATOM 77 NH1 ARG A 5 6.984 -8.803 6.507 1.00 0.00 N ATOM 78 NH2 ARG A 5 7.832 -10.929 6.663 1.00 0.00 N ATOM 0 H ARG A 5 6.222 -10.196 1.302 1.00 0.00 H new ATOM 0 HA ARG A 5 6.380 -7.318 0.794 1.00 0.00 H new ATOM 0 HB2 ARG A 5 8.457 -9.341 1.709 1.00 0.00 H new ATOM 0 HB3 ARG A 5 8.706 -7.610 1.602 1.00 0.00 H new ATOM 0 HG2 ARG A 5 6.904 -7.259 3.290 1.00 0.00 H new ATOM 0 HG3 ARG A 5 6.692 -8.994 3.412 1.00 0.00 H new ATOM 0 HD2 ARG A 5 9.503 -8.160 3.727 1.00 0.00 H new ATOM 0 HD3 ARG A 5 8.444 -7.446 4.928 1.00 0.00 H new ATOM 0 HE ARG A 5 9.137 -10.291 4.643 1.00 0.00 H new ATOM 0 HH11 ARG A 5 6.943 -7.899 6.036 1.00 0.00 H new ATOM 0 HH12 ARG A 5 6.410 -8.974 7.333 1.00 0.00 H new ATOM 0 HH21 ARG A 5 8.445 -11.665 6.312 1.00 0.00 H new ATOM 0 HH22 ARG A 5 7.256 -11.095 7.488 1.00 0.00 H new ATOM 92 N CYS A 6 8.061 -9.555 -0.973 1.00 0.00 N ATOM 93 CA CYS A 6 8.677 -9.757 -2.270 1.00 0.00 C ATOM 94 C CYS A 6 7.650 -10.187 -3.301 1.00 0.00 C ATOM 95 O CYS A 6 7.729 -9.784 -4.453 1.00 0.00 O ATOM 96 CB CYS A 6 9.797 -10.781 -2.194 1.00 0.00 C ATOM 97 SG CYS A 6 10.781 -10.697 -0.665 1.00 0.00 S ATOM 0 H CYS A 6 8.109 -10.358 -0.346 1.00 0.00 H new ATOM 0 HA CYS A 6 9.102 -8.802 -2.579 1.00 0.00 H new ATOM 0 HB2 CYS A 6 9.368 -11.779 -2.283 1.00 0.00 H new ATOM 0 HB3 CYS A 6 10.460 -10.642 -3.048 1.00 0.00 H new ATOM 102 N GLU A 7 6.676 -10.993 -2.887 1.00 0.00 N ATOM 103 CA GLU A 7 5.636 -11.436 -3.809 1.00 0.00 C ATOM 104 C GLU A 7 5.142 -10.236 -4.605 1.00 0.00 C ATOM 105 O GLU A 7 5.126 -10.243 -5.839 1.00 0.00 O ATOM 106 CB GLU A 7 4.477 -12.082 -3.046 1.00 0.00 C ATOM 107 CG GLU A 7 4.422 -13.594 -3.190 1.00 0.00 C ATOM 108 CD GLU A 7 3.843 -14.032 -4.521 1.00 0.00 C ATOM 109 OE1 GLU A 7 2.620 -13.873 -4.718 1.00 0.00 O ATOM 110 OE2 GLU A 7 4.613 -14.533 -5.367 1.00 0.00 O ATOM 0 H GLU A 7 6.585 -11.348 -1.935 1.00 0.00 H new ATOM 0 HA GLU A 7 6.048 -12.184 -4.487 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.563 -11.829 -1.989 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.538 -11.657 -3.400 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.427 -14.002 -3.083 1.00 0.00 H new ATOM 0 HG3 GLU A 7 3.821 -14.011 -2.382 1.00 0.00 H new ATOM 117 N LEU A 8 4.774 -9.192 -3.873 1.00 0.00 N ATOM 118 CA LEU A 8 4.309 -7.957 -4.477 1.00 0.00 C ATOM 119 C LEU A 8 5.433 -7.293 -5.269 1.00 0.00 C ATOM 120 O LEU A 8 5.196 -6.769 -6.355 1.00 0.00 O ATOM 121 CB LEU A 8 3.789 -7.003 -3.390 1.00 0.00 C ATOM 122 CG LEU A 8 3.183 -5.680 -3.885 1.00 0.00 C ATOM 123 CD1 LEU A 8 4.254 -4.608 -4.002 1.00 0.00 C ATOM 124 CD2 LEU A 8 2.469 -5.865 -5.217 1.00 0.00 C ATOM 0 H LEU A 8 4.790 -9.180 -2.853 1.00 0.00 H new ATOM 0 HA LEU A 8 3.494 -8.189 -5.163 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.034 -7.528 -2.805 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.612 -6.772 -2.714 1.00 0.00 H new ATOM 0 HG LEU A 8 2.447 -5.356 -3.149 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.803 -3.680 -4.354 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.711 -4.442 -3.026 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.017 -4.932 -4.710 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.051 -4.912 -5.541 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.178 -6.223 -5.963 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.666 -6.593 -5.101 1.00 0.00 H new ATOM 136 N ALA A 9 6.657 -7.316 -4.726 1.00 0.00 N ATOM 137 CA ALA A 9 7.797 -6.700 -5.404 1.00 0.00 C ATOM 138 C ALA A 9 8.070 -7.358 -6.750 1.00 0.00 C ATOM 139 O ALA A 9 8.151 -6.678 -7.771 1.00 0.00 O ATOM 140 CB ALA A 9 9.035 -6.744 -4.530 1.00 0.00 C ATOM 0 H ALA A 9 6.879 -7.750 -3.830 1.00 0.00 H new ATOM 0 HA ALA A 9 7.541 -5.657 -5.589 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.869 -6.280 -5.057 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.845 -6.203 -3.603 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.282 -7.781 -4.301 1.00 0.00 H new ATOM 146 N ALA A 10 8.204 -8.681 -6.753 1.00 0.00 N ATOM 147 CA ALA A 10 8.453 -9.415 -7.983 1.00 0.00 C ATOM 148 C ALA A 10 7.436 -9.012 -9.036 1.00 0.00 C ATOM 149 O ALA A 10 7.770 -8.856 -10.212 1.00 0.00 O ATOM 150 CB ALA A 10 8.398 -10.914 -7.730 1.00 0.00 C ATOM 0 H ALA A 10 8.144 -9.263 -5.918 1.00 0.00 H new ATOM 0 HA ALA A 10 9.451 -9.170 -8.346 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.587 -11.447 -8.662 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.156 -11.187 -6.996 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.412 -11.183 -7.351 1.00 0.00 H new ATOM 156 N ALA A 11 6.191 -8.826 -8.603 1.00 0.00 N ATOM 157 CA ALA A 11 5.133 -8.418 -9.510 1.00 0.00 C ATOM 158 C ALA A 11 5.417 -7.036 -10.054 1.00 0.00 C ATOM 159 O ALA A 11 5.146 -6.731 -11.215 1.00 0.00 O ATOM 160 CB ALA A 11 3.779 -8.465 -8.818 1.00 0.00 C ATOM 0 H ALA A 11 5.896 -8.952 -7.635 1.00 0.00 H new ATOM 0 HA ALA A 11 5.102 -9.117 -10.346 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.002 -8.155 -9.517 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.578 -9.482 -8.480 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.785 -7.792 -7.961 1.00 0.00 H new ATOM 166 N MET A 12 5.979 -6.217 -9.194 1.00 0.00 N ATOM 167 CA MET A 12 6.338 -4.846 -9.554 1.00 0.00 C ATOM 168 C MET A 12 7.379 -4.844 -10.664 1.00 0.00 C ATOM 169 O MET A 12 7.225 -4.155 -11.671 1.00 0.00 O ATOM 170 CB MET A 12 6.894 -4.094 -8.349 1.00 0.00 C ATOM 171 CG MET A 12 6.097 -4.295 -7.075 1.00 0.00 C ATOM 172 SD MET A 12 5.995 -2.798 -6.081 1.00 0.00 S ATOM 173 CE MET A 12 5.381 -1.642 -7.299 1.00 0.00 C ATOM 0 H MET A 12 6.202 -6.470 -8.232 1.00 0.00 H new ATOM 0 HA MET A 12 5.433 -4.346 -9.900 1.00 0.00 H new ATOM 0 HB2 MET A 12 7.922 -4.414 -8.177 1.00 0.00 H new ATOM 0 HB3 MET A 12 6.926 -3.029 -8.581 1.00 0.00 H new ATOM 0 HG2 MET A 12 5.091 -4.628 -7.329 1.00 0.00 H new ATOM 0 HG3 MET A 12 6.556 -5.088 -6.485 1.00 0.00 H new ATOM 0 HE1 MET A 12 4.680 -0.954 -6.827 1.00 0.00 H new ATOM 0 HE2 MET A 12 6.215 -1.079 -7.719 1.00 0.00 H new ATOM 0 HE3 MET A 12 4.874 -2.187 -8.095 1.00 0.00 H new ATOM 183 N LYS A 13 8.439 -5.626 -10.466 1.00 0.00 N ATOM 184 CA LYS A 13 9.510 -5.722 -11.449 1.00 0.00 C ATOM 185 C LYS A 13 8.930 -6.010 -12.823 1.00 0.00 C ATOM 186 O LYS A 13 9.255 -5.340 -13.802 1.00 0.00 O ATOM 187 CB LYS A 13 10.500 -6.820 -11.054 1.00 0.00 C ATOM 188 CG LYS A 13 11.946 -6.478 -11.374 1.00 0.00 C ATOM 189 CD LYS A 13 12.481 -7.328 -12.515 1.00 0.00 C ATOM 190 CE LYS A 13 13.009 -6.467 -13.651 1.00 0.00 C ATOM 191 NZ LYS A 13 14.442 -6.111 -13.459 1.00 0.00 N ATOM 0 H LYS A 13 8.577 -6.200 -9.634 1.00 0.00 H new ATOM 0 HA LYS A 13 10.041 -4.771 -11.481 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.409 -7.013 -9.985 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.231 -7.743 -11.568 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.021 -5.423 -11.639 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.561 -6.629 -10.487 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.278 -7.974 -12.146 1.00 0.00 H new ATOM 0 HD3 LYS A 13 11.690 -7.979 -12.888 1.00 0.00 H new ATOM 0 HE2 LYS A 13 12.891 -6.999 -14.595 1.00 0.00 H new ATOM 0 HE3 LYS A 13 12.415 -5.556 -13.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.763 -5.524 -14.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.552 -5.581 -12.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.013 -6.979 -13.417 1.00 0.00 H new ATOM 205 N ARG A 14 8.057 -7.009 -12.882 1.00 0.00 N ATOM 206 CA ARG A 14 7.415 -7.381 -14.130 1.00 0.00 C ATOM 207 C ARG A 14 6.563 -6.230 -14.642 1.00 0.00 C ATOM 208 O ARG A 14 6.469 -6.002 -15.848 1.00 0.00 O ATOM 209 CB ARG A 14 6.551 -8.629 -13.937 1.00 0.00 C ATOM 210 CG ARG A 14 6.687 -9.643 -15.060 1.00 0.00 C ATOM 211 CD ARG A 14 5.955 -10.936 -14.737 1.00 0.00 C ATOM 212 NE ARG A 14 5.865 -11.818 -15.896 1.00 0.00 N ATOM 213 CZ ARG A 14 6.780 -12.734 -16.199 1.00 0.00 C ATOM 214 NH1 ARG A 14 7.850 -12.888 -15.430 1.00 0.00 N ATOM 215 NH2 ARG A 14 6.626 -13.498 -17.271 1.00 0.00 N ATOM 0 H ARG A 14 7.780 -7.574 -12.079 1.00 0.00 H new ATOM 0 HA ARG A 14 8.188 -7.605 -14.865 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.821 -9.105 -12.994 1.00 0.00 H new ATOM 0 HB3 ARG A 14 5.507 -8.328 -13.855 1.00 0.00 H new ATOM 0 HG2 ARG A 14 6.290 -9.220 -15.983 1.00 0.00 H new ATOM 0 HG3 ARG A 14 7.742 -9.855 -15.234 1.00 0.00 H new ATOM 0 HD2 ARG A 14 6.471 -11.452 -13.928 1.00 0.00 H new ATOM 0 HD3 ARG A 14 4.952 -10.705 -14.379 1.00 0.00 H new ATOM 0 HE ARG A 14 5.054 -11.727 -16.508 1.00 0.00 H new ATOM 0 HH11 ARG A 14 7.973 -12.303 -14.604 1.00 0.00 H new ATOM 0 HH12 ARG A 14 8.550 -13.592 -15.665 1.00 0.00 H new ATOM 0 HH21 ARG A 14 5.805 -13.384 -17.865 1.00 0.00 H new ATOM 0 HH22 ARG A 14 7.329 -14.200 -17.502 1.00 0.00 H new ATOM 229 N HIS A 15 5.920 -5.518 -13.716 1.00 0.00 N ATOM 230 CA HIS A 15 5.051 -4.409 -14.074 1.00 0.00 C ATOM 231 C HIS A 15 5.846 -3.161 -14.444 1.00 0.00 C ATOM 232 O HIS A 15 5.266 -2.161 -14.867 1.00 0.00 O ATOM 233 CB HIS A 15 4.102 -4.089 -12.918 1.00 0.00 C ATOM 234 CG HIS A 15 2.821 -4.863 -12.957 1.00 0.00 C ATOM 235 ND1 HIS A 15 2.158 -5.278 -11.820 1.00 0.00 N ATOM 236 CD2 HIS A 15 2.078 -5.297 -14.002 1.00 0.00 C ATOM 237 CE1 HIS A 15 1.064 -5.933 -12.166 1.00 0.00 C ATOM 238 NE2 HIS A 15 0.991 -5.958 -13.483 1.00 0.00 N ATOM 0 H HIS A 15 5.988 -5.694 -12.714 1.00 0.00 H new ATOM 0 HA HIS A 15 4.477 -4.714 -14.949 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.610 -4.293 -11.976 1.00 0.00 H new ATOM 0 HB3 HIS A 15 3.873 -3.024 -12.933 1.00 0.00 H new ATOM 0 HD1 HIS A 15 2.465 -5.106 -10.862 1.00 0.00 H new ATOM 0 HD2 HIS A 15 2.299 -5.151 -15.049 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.350 -6.373 -11.486 1.00 0.00 H new ATOM 247 N GLY A 16 7.172 -3.227 -14.338 1.00 0.00 N ATOM 248 CA GLY A 16 7.999 -2.099 -14.725 1.00 0.00 C ATOM 249 C GLY A 16 8.020 -0.938 -13.749 1.00 0.00 C ATOM 250 O GLY A 16 8.291 0.189 -14.161 1.00 0.00 O ATOM 0 H GLY A 16 7.685 -4.038 -13.993 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.021 -2.451 -14.865 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.653 -1.732 -15.691 1.00 0.00 H new ATOM 254 N LEU A 17 7.743 -1.166 -12.463 1.00 0.00 N ATOM 255 CA LEU A 17 7.760 -0.056 -11.515 1.00 0.00 C ATOM 256 C LEU A 17 9.148 0.142 -10.937 1.00 0.00 C ATOM 257 O LEU A 17 9.401 1.088 -10.196 1.00 0.00 O ATOM 258 CB LEU A 17 6.744 -0.258 -10.388 1.00 0.00 C ATOM 259 CG LEU A 17 5.388 -0.845 -10.797 1.00 0.00 C ATOM 260 CD1 LEU A 17 4.285 -0.293 -9.908 1.00 0.00 C ATOM 261 CD2 LEU A 17 5.067 -0.556 -12.259 1.00 0.00 C ATOM 0 H LEU A 17 7.512 -2.077 -12.066 1.00 0.00 H new ATOM 0 HA LEU A 17 7.478 0.841 -12.066 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.189 -0.913 -9.639 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.570 0.705 -9.907 1.00 0.00 H new ATOM 0 HG LEU A 17 5.448 -1.926 -10.673 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.328 -0.718 -10.210 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.488 -0.556 -8.870 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.247 0.792 -10.006 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.098 -0.988 -12.511 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.036 0.522 -12.419 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.836 -0.995 -12.894 1.00 0.00 H new ATOM 273 N ASP A 18 10.046 -0.753 -11.292 1.00 0.00 N ATOM 274 CA ASP A 18 11.419 -0.677 -10.816 1.00 0.00 C ATOM 275 C ASP A 18 12.177 0.439 -11.533 1.00 0.00 C ATOM 276 O ASP A 18 12.696 0.256 -12.635 1.00 0.00 O ATOM 277 CB ASP A 18 12.128 -2.023 -10.990 1.00 0.00 C ATOM 278 CG ASP A 18 13.630 -1.881 -11.145 1.00 0.00 C ATOM 279 OD1 ASP A 18 14.285 -1.421 -10.186 1.00 0.00 O ATOM 280 OD2 ASP A 18 14.152 -2.232 -12.224 1.00 0.00 O ATOM 0 H ASP A 18 9.854 -1.543 -11.908 1.00 0.00 H new ATOM 0 HA ASP A 18 11.401 -0.442 -9.752 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.915 -2.655 -10.128 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.723 -2.531 -11.865 1.00 0.00 H new ATOM 285 N ASN A 19 12.225 1.596 -10.883 1.00 0.00 N ATOM 286 CA ASN A 19 12.907 2.776 -11.410 1.00 0.00 C ATOM 287 C ASN A 19 12.248 3.275 -12.677 1.00 0.00 C ATOM 288 O ASN A 19 12.908 3.806 -13.571 1.00 0.00 O ATOM 289 CB ASN A 19 14.389 2.485 -11.656 1.00 0.00 C ATOM 290 CG ASN A 19 15.298 3.413 -10.873 1.00 0.00 C ATOM 291 OD1 ASN A 19 15.195 4.635 -10.976 1.00 0.00 O ATOM 292 ND2 ASN A 19 16.195 2.834 -10.083 1.00 0.00 N ATOM 0 H ASN A 19 11.791 1.744 -9.972 1.00 0.00 H new ATOM 0 HA ASN A 19 12.829 3.562 -10.659 1.00 0.00 H new ATOM 0 HB2 ASN A 19 14.604 1.453 -11.381 1.00 0.00 H new ATOM 0 HB3 ASN A 19 14.604 2.583 -12.720 1.00 0.00 H new ATOM 0 HD21 ASN A 19 16.834 3.407 -9.531 1.00 0.00 H new ATOM 0 HD22 ASN A 19 16.245 1.817 -10.028 1.00 0.00 H new ATOM 299 N TYR A 20 10.937 3.134 -12.729 1.00 0.00 N ATOM 300 CA TYR A 20 10.181 3.609 -13.872 1.00 0.00 C ATOM 301 C TYR A 20 10.284 5.118 -13.885 1.00 0.00 C ATOM 302 O TYR A 20 10.775 5.691 -12.913 1.00 0.00 O ATOM 303 CB TYR A 20 8.718 3.170 -13.770 1.00 0.00 C ATOM 304 CG TYR A 20 7.900 3.471 -15.006 1.00 0.00 C ATOM 305 CD1 TYR A 20 8.104 2.769 -16.187 1.00 0.00 C ATOM 306 CD2 TYR A 20 6.922 4.458 -14.989 1.00 0.00 C ATOM 307 CE1 TYR A 20 7.357 3.043 -17.317 1.00 0.00 C ATOM 308 CE2 TYR A 20 6.170 4.737 -16.115 1.00 0.00 C ATOM 309 CZ TYR A 20 6.392 4.027 -17.276 1.00 0.00 C ATOM 310 OH TYR A 20 5.646 4.301 -18.399 1.00 0.00 O ATOM 0 H TYR A 20 10.376 2.697 -11.998 1.00 0.00 H new ATOM 0 HA TYR A 20 10.581 3.191 -14.796 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.683 2.098 -13.576 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.259 3.664 -12.914 1.00 0.00 H new ATOM 0 HD1 TYR A 20 8.858 1.997 -16.223 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.746 5.016 -14.081 1.00 0.00 H new ATOM 0 HE1 TYR A 20 7.528 2.489 -18.228 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.413 5.507 -16.085 1.00 0.00 H new ATOM 0 HH TYR A 20 5.010 5.020 -18.202 1.00 0.00 H new ATOM 320 N ARG A 21 9.861 5.759 -14.975 1.00 0.00 N ATOM 321 CA ARG A 21 9.932 7.214 -15.082 1.00 0.00 C ATOM 322 C ARG A 21 9.916 7.846 -13.695 1.00 0.00 C ATOM 323 O ARG A 21 10.628 8.814 -13.424 1.00 0.00 O ATOM 324 CB ARG A 21 8.764 7.746 -15.915 1.00 0.00 C ATOM 325 CG ARG A 21 9.166 8.198 -17.309 1.00 0.00 C ATOM 326 CD ARG A 21 8.000 8.115 -18.280 1.00 0.00 C ATOM 327 NE ARG A 21 8.185 7.058 -19.270 1.00 0.00 N ATOM 328 CZ ARG A 21 8.384 7.286 -20.565 1.00 0.00 C ATOM 329 NH1 ARG A 21 8.422 8.530 -21.025 1.00 0.00 N ATOM 330 NH2 ARG A 21 8.546 6.270 -21.401 1.00 0.00 N ATOM 0 H ARG A 21 9.467 5.294 -15.793 1.00 0.00 H new ATOM 0 HA ARG A 21 10.865 7.479 -15.580 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.005 6.968 -15.999 1.00 0.00 H new ATOM 0 HB3 ARG A 21 8.305 8.583 -15.389 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.534 9.223 -17.268 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.987 7.579 -17.671 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.079 7.935 -17.726 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.884 9.072 -18.789 1.00 0.00 H new ATOM 0 HE ARG A 21 8.160 6.090 -18.950 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.298 9.314 -20.385 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.575 8.702 -22.019 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.518 5.312 -21.051 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.699 6.446 -22.394 1.00 0.00 H new ATOM 344 N GLY A 22 9.099 7.268 -12.819 1.00 0.00 N ATOM 345 CA GLY A 22 8.989 7.749 -11.460 1.00 0.00 C ATOM 346 C GLY A 22 10.138 7.289 -10.585 1.00 0.00 C ATOM 347 O GLY A 22 11.220 7.875 -10.621 1.00 0.00 O ATOM 0 H GLY A 22 8.506 6.466 -13.033 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.955 8.838 -11.466 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.049 7.403 -11.031 1.00 0.00 H new ATOM 351 N TYR A 23 9.900 6.261 -9.769 1.00 0.00 N ATOM 352 CA TYR A 23 10.938 5.777 -8.864 1.00 0.00 C ATOM 353 C TYR A 23 11.163 4.272 -8.928 1.00 0.00 C ATOM 354 O TYR A 23 10.512 3.553 -9.686 1.00 0.00 O ATOM 355 CB TYR A 23 10.616 6.194 -7.429 1.00 0.00 C ATOM 356 CG TYR A 23 10.916 7.648 -7.142 1.00 0.00 C ATOM 357 CD1 TYR A 23 10.132 8.657 -7.687 1.00 0.00 C ATOM 358 CD2 TYR A 23 11.982 8.011 -6.330 1.00 0.00 C ATOM 359 CE1 TYR A 23 10.403 9.987 -7.431 1.00 0.00 C ATOM 360 CE2 TYR A 23 12.259 9.340 -6.069 1.00 0.00 C ATOM 361 CZ TYR A 23 11.467 10.323 -6.622 1.00 0.00 C ATOM 362 OH TYR A 23 11.739 11.647 -6.365 1.00 0.00 O ATOM 0 H TYR A 23 9.015 5.757 -9.717 1.00 0.00 H new ATOM 0 HA TYR A 23 11.868 6.238 -9.196 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.561 6.003 -7.231 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.187 5.571 -6.741 1.00 0.00 H new ATOM 0 HD1 TYR A 23 9.297 8.397 -8.321 1.00 0.00 H new ATOM 0 HD2 TYR A 23 12.605 7.243 -5.895 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.784 10.760 -7.863 1.00 0.00 H new ATOM 0 HE2 TYR A 23 13.092 9.607 -5.435 1.00 0.00 H new ATOM 0 HH TYR A 23 12.520 11.712 -5.777 1.00 0.00 H new ATOM 372 N SER A 24 12.125 3.824 -8.119 1.00 0.00 N ATOM 373 CA SER A 24 12.508 2.423 -8.053 1.00 0.00 C ATOM 374 C SER A 24 11.592 1.619 -7.142 1.00 0.00 C ATOM 375 O SER A 24 10.832 2.173 -6.349 1.00 0.00 O ATOM 376 CB SER A 24 13.954 2.297 -7.568 1.00 0.00 C ATOM 377 OG SER A 24 14.068 2.663 -6.203 1.00 0.00 O ATOM 0 H SER A 24 12.658 4.428 -7.493 1.00 0.00 H new ATOM 0 HA SER A 24 12.416 2.015 -9.060 1.00 0.00 H new ATOM 0 HB2 SER A 24 14.298 1.272 -7.703 1.00 0.00 H new ATOM 0 HB3 SER A 24 14.601 2.932 -8.173 1.00 0.00 H new ATOM 0 HG SER A 24 13.339 3.273 -5.966 1.00 0.00 H new ATOM 383 N LEU A 25 11.688 0.301 -7.280 1.00 0.00 N ATOM 384 CA LEU A 25 10.896 -0.636 -6.498 1.00 0.00 C ATOM 385 C LEU A 25 10.776 -0.206 -5.036 1.00 0.00 C ATOM 386 O LEU A 25 9.671 -0.088 -4.510 1.00 0.00 O ATOM 387 CB LEU A 25 11.532 -2.022 -6.587 1.00 0.00 C ATOM 388 CG LEU A 25 10.823 -2.992 -7.522 1.00 0.00 C ATOM 389 CD1 LEU A 25 11.812 -3.986 -8.111 1.00 0.00 C ATOM 390 CD2 LEU A 25 9.710 -3.716 -6.783 1.00 0.00 C ATOM 0 H LEU A 25 12.321 -0.148 -7.942 1.00 0.00 H new ATOM 0 HA LEU A 25 9.887 -0.657 -6.910 1.00 0.00 H new ATOM 0 HB2 LEU A 25 12.565 -1.912 -6.917 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.561 -2.458 -5.588 1.00 0.00 H new ATOM 0 HG LEU A 25 10.382 -2.425 -8.342 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.287 -4.671 -8.777 1.00 0.00 H new ATOM 0 HD12 LEU A 25 12.577 -3.449 -8.673 1.00 0.00 H new ATOM 0 HD13 LEU A 25 12.283 -4.551 -7.307 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.211 -4.407 -7.463 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.131 -4.272 -5.945 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.988 -2.989 -6.410 1.00 0.00 H new ATOM 402 N GLY A 26 11.917 0.001 -4.383 1.00 0.00 N ATOM 403 CA GLY A 26 11.927 0.391 -2.981 1.00 0.00 C ATOM 404 C GLY A 26 10.879 1.433 -2.628 1.00 0.00 C ATOM 405 O GLY A 26 10.254 1.353 -1.571 1.00 0.00 O ATOM 0 H GLY A 26 12.842 -0.095 -4.803 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.767 -0.495 -2.366 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.913 0.781 -2.729 1.00 0.00 H new ATOM 409 N ASN A 27 10.687 2.411 -3.506 1.00 0.00 N ATOM 410 CA ASN A 27 9.707 3.469 -3.263 1.00 0.00 C ATOM 411 C ASN A 27 8.282 2.925 -3.352 1.00 0.00 C ATOM 412 O ASN A 27 7.396 3.349 -2.610 1.00 0.00 O ATOM 413 CB ASN A 27 9.896 4.612 -4.259 1.00 0.00 C ATOM 414 CG ASN A 27 11.318 5.139 -4.272 1.00 0.00 C ATOM 415 OD1 ASN A 27 12.223 4.386 -4.885 1.00 0.00 O flip ATOM 416 ND2 ASN A 27 11.600 6.211 -3.736 1.00 0.00 N flip ATOM 0 H ASN A 27 11.192 2.495 -4.388 1.00 0.00 H new ATOM 0 HA ASN A 27 9.867 3.850 -2.254 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.630 4.267 -5.258 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.213 5.424 -4.010 1.00 0.00 H new ATOM 0 HD21 ASN A 27 10.872 6.758 -3.276 1.00 0.00 H new ATOM 0 HD22 ASN A 27 12.561 6.552 -3.752 1.00 0.00 H new ATOM 423 N TRP A 28 8.078 1.980 -4.260 1.00 0.00 N ATOM 424 CA TRP A 28 6.773 1.358 -4.455 1.00 0.00 C ATOM 425 C TRP A 28 6.396 0.473 -3.279 1.00 0.00 C ATOM 426 O TRP A 28 5.279 0.549 -2.770 1.00 0.00 O ATOM 427 CB TRP A 28 6.780 0.546 -5.732 1.00 0.00 C ATOM 428 CG TRP A 28 6.990 1.399 -6.930 1.00 0.00 C ATOM 429 CD1 TRP A 28 8.158 1.587 -7.594 1.00 0.00 C ATOM 430 CD2 TRP A 28 6.010 2.198 -7.595 1.00 0.00 C ATOM 431 NE1 TRP A 28 7.977 2.468 -8.626 1.00 0.00 N ATOM 432 CE2 TRP A 28 6.660 2.854 -8.655 1.00 0.00 C ATOM 433 CE3 TRP A 28 4.644 2.421 -7.396 1.00 0.00 C ATOM 434 CZ2 TRP A 28 5.994 3.721 -9.514 1.00 0.00 C ATOM 435 CZ3 TRP A 28 3.978 3.280 -8.247 1.00 0.00 C ATOM 436 CH2 TRP A 28 4.654 3.923 -9.298 1.00 0.00 C ATOM 0 H TRP A 28 8.806 1.624 -4.879 1.00 0.00 H new ATOM 0 HA TRP A 28 6.028 2.150 -4.528 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.567 -0.206 -5.680 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.835 0.012 -5.828 1.00 0.00 H new ATOM 0 HD1 TRP A 28 9.095 1.111 -7.345 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.703 2.786 -9.269 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.119 1.930 -6.590 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.512 4.217 -10.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.923 3.460 -8.103 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.108 4.590 -9.949 1.00 0.00 H new ATOM 447 N VAL A 29 7.329 -0.368 -2.847 1.00 0.00 N ATOM 448 CA VAL A 29 7.084 -1.263 -1.728 1.00 0.00 C ATOM 449 C VAL A 29 6.875 -0.477 -0.447 1.00 0.00 C ATOM 450 O VAL A 29 5.922 -0.709 0.288 1.00 0.00 O ATOM 451 CB VAL A 29 8.257 -2.244 -1.540 1.00 0.00 C ATOM 452 CG1 VAL A 29 7.997 -3.187 -0.375 1.00 0.00 C ATOM 453 CG2 VAL A 29 8.511 -3.018 -2.824 1.00 0.00 C ATOM 0 H VAL A 29 8.260 -0.447 -3.256 1.00 0.00 H new ATOM 0 HA VAL A 29 6.180 -1.830 -1.952 1.00 0.00 H new ATOM 0 HB VAL A 29 9.152 -1.668 -1.305 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.840 -3.869 -0.264 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.875 -2.609 0.541 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.090 -3.760 -0.566 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.343 -3.707 -2.675 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.617 -3.581 -3.092 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.756 -2.322 -3.626 1.00 0.00 H new ATOM 463 N CYS A 30 7.779 0.450 -0.188 1.00 0.00 N ATOM 464 CA CYS A 30 7.704 1.280 1.004 1.00 0.00 C ATOM 465 C CYS A 30 6.372 2.025 1.071 1.00 0.00 C ATOM 466 O CYS A 30 5.696 2.023 2.103 1.00 0.00 O ATOM 467 CB CYS A 30 8.863 2.273 0.998 1.00 0.00 C ATOM 468 SG CYS A 30 9.313 2.910 2.639 1.00 0.00 S ATOM 0 H CYS A 30 8.578 0.649 -0.790 1.00 0.00 H new ATOM 0 HA CYS A 30 7.773 0.640 1.883 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.736 1.792 0.557 1.00 0.00 H new ATOM 0 HB3 CYS A 30 8.603 3.113 0.354 1.00 0.00 H new ATOM 473 N ALA A 31 6.005 2.668 -0.036 1.00 0.00 N ATOM 474 CA ALA A 31 4.764 3.428 -0.109 1.00 0.00 C ATOM 475 C ALA A 31 3.538 2.532 0.028 1.00 0.00 C ATOM 476 O ALA A 31 2.610 2.850 0.767 1.00 0.00 O ATOM 477 CB ALA A 31 4.701 4.205 -1.414 1.00 0.00 C ATOM 0 H ALA A 31 6.553 2.676 -0.896 1.00 0.00 H new ATOM 0 HA ALA A 31 4.757 4.125 0.729 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.769 4.769 -1.457 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.545 4.893 -1.469 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.744 3.511 -2.253 1.00 0.00 H new ATOM 483 N ALA A 32 3.539 1.414 -0.692 1.00 0.00 N ATOM 484 CA ALA A 32 2.418 0.477 -0.656 1.00 0.00 C ATOM 485 C ALA A 32 2.299 -0.213 0.698 1.00 0.00 C ATOM 486 O ALA A 32 1.229 -0.225 1.304 1.00 0.00 O ATOM 487 CB ALA A 32 2.563 -0.556 -1.762 1.00 0.00 C ATOM 0 H ALA A 32 4.303 1.134 -1.308 1.00 0.00 H new ATOM 0 HA ALA A 32 1.504 1.049 -0.815 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.722 -1.249 -1.725 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.578 -0.054 -2.729 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.493 -1.107 -1.625 1.00 0.00 H new ATOM 493 N LYS A 33 3.402 -0.796 1.159 1.00 0.00 N ATOM 494 CA LYS A 33 3.431 -1.504 2.434 1.00 0.00 C ATOM 495 C LYS A 33 2.762 -0.694 3.535 1.00 0.00 C ATOM 496 O LYS A 33 1.855 -1.177 4.206 1.00 0.00 O ATOM 497 CB LYS A 33 4.873 -1.817 2.835 1.00 0.00 C ATOM 498 CG LYS A 33 4.990 -2.612 4.124 1.00 0.00 C ATOM 499 CD LYS A 33 6.387 -3.186 4.301 1.00 0.00 C ATOM 500 CE LYS A 33 6.430 -4.210 5.424 1.00 0.00 C ATOM 501 NZ LYS A 33 5.613 -5.413 5.110 1.00 0.00 N ATOM 0 H LYS A 33 4.294 -0.791 0.664 1.00 0.00 H new ATOM 0 HA LYS A 33 2.878 -2.434 2.306 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.352 -2.375 2.030 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.421 -0.881 2.945 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.749 -1.970 4.971 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.261 -3.422 4.120 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.711 -3.651 3.370 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.088 -2.380 4.515 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.463 -4.509 5.603 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.066 -3.754 6.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.901 -5.553 5.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.135 -5.279 4.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.230 -6.248 5.059 1.00 0.00 H new ATOM 515 N PHE A 34 3.227 0.529 3.735 1.00 0.00 N ATOM 516 CA PHE A 34 2.670 1.377 4.778 1.00 0.00 C ATOM 517 C PHE A 34 1.315 1.946 4.392 1.00 0.00 C ATOM 518 O PHE A 34 0.556 2.393 5.250 1.00 0.00 O ATOM 519 CB PHE A 34 3.633 2.491 5.131 1.00 0.00 C ATOM 520 CG PHE A 34 4.576 2.146 6.248 1.00 0.00 C ATOM 521 CD1 PHE A 34 4.122 2.062 7.555 1.00 0.00 C ATOM 522 CD2 PHE A 34 5.916 1.904 5.991 1.00 0.00 C ATOM 523 CE1 PHE A 34 4.987 1.744 8.584 1.00 0.00 C ATOM 524 CE2 PHE A 34 6.786 1.586 7.017 1.00 0.00 C ATOM 525 CZ PHE A 34 6.321 1.505 8.315 1.00 0.00 C ATOM 0 H PHE A 34 3.981 0.954 3.195 1.00 0.00 H new ATOM 0 HA PHE A 34 2.519 0.749 5.656 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.213 2.751 4.246 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.063 3.377 5.410 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.080 2.247 7.771 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.285 1.965 4.978 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.621 1.682 9.598 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.828 1.401 6.804 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.999 1.255 9.118 1.00 0.00 H new ATOM 535 N GLU A 35 1.015 1.935 3.102 1.00 0.00 N ATOM 536 CA GLU A 35 -0.248 2.458 2.609 1.00 0.00 C ATOM 537 C GLU A 35 -1.427 1.585 3.014 1.00 0.00 C ATOM 538 O GLU A 35 -2.413 2.068 3.572 1.00 0.00 O ATOM 539 CB GLU A 35 -0.199 2.539 1.085 1.00 0.00 C ATOM 540 CG GLU A 35 -0.237 3.954 0.540 1.00 0.00 C ATOM 541 CD GLU A 35 0.283 4.033 -0.879 1.00 0.00 C ATOM 542 OE1 GLU A 35 -0.458 3.641 -1.803 1.00 0.00 O ATOM 543 OE2 GLU A 35 1.433 4.481 -1.066 1.00 0.00 O ATOM 0 H GLU A 35 1.631 1.568 2.377 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.390 3.445 3.049 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.710 2.050 0.735 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.040 1.980 0.675 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.261 4.326 0.571 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.359 4.605 1.180 1.00 0.00 H new ATOM 550 N SER A 36 -1.341 0.306 2.673 1.00 0.00 N ATOM 551 CA SER A 36 -2.426 -0.633 2.941 1.00 0.00 C ATOM 552 C SER A 36 -1.935 -1.918 3.595 1.00 0.00 C ATOM 553 O SER A 36 -2.688 -2.886 3.701 1.00 0.00 O ATOM 554 CB SER A 36 -3.121 -0.976 1.619 1.00 0.00 C ATOM 555 OG SER A 36 -2.169 -1.297 0.621 1.00 0.00 O ATOM 0 H SER A 36 -0.531 -0.107 2.210 1.00 0.00 H new ATOM 0 HA SER A 36 -3.116 -0.155 3.636 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.798 -1.817 1.766 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.728 -0.132 1.292 1.00 0.00 H new ATOM 0 HG SER A 36 -1.976 -0.500 0.085 1.00 0.00 H new ATOM 561 N ASN A 37 -0.674 -1.942 4.007 1.00 0.00 N ATOM 562 CA ASN A 37 -0.108 -3.142 4.612 1.00 0.00 C ATOM 563 C ASN A 37 -0.189 -4.284 3.610 1.00 0.00 C ATOM 564 O ASN A 37 -0.257 -5.452 3.979 1.00 0.00 O ATOM 565 CB ASN A 37 -0.854 -3.507 5.900 1.00 0.00 C ATOM 566 CG ASN A 37 0.026 -4.248 6.887 1.00 0.00 C ATOM 567 OD1 ASN A 37 1.142 -3.821 7.184 1.00 0.00 O ATOM 568 ND2 ASN A 37 -0.474 -5.366 7.402 1.00 0.00 N ATOM 0 H ASN A 37 -0.030 -1.155 3.935 1.00 0.00 H new ATOM 0 HA ASN A 37 0.934 -2.956 4.874 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.234 -2.598 6.367 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.718 -4.124 5.654 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.072 -5.908 8.072 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.404 -5.683 7.127 1.00 0.00 H new ATOM 575 N PHE A 38 -0.175 -3.901 2.334 1.00 0.00 N ATOM 576 CA PHE A 38 -0.242 -4.815 1.203 1.00 0.00 C ATOM 577 C PHE A 38 -1.629 -5.423 1.064 1.00 0.00 C ATOM 578 O PHE A 38 -1.801 -6.452 0.417 1.00 0.00 O ATOM 579 CB PHE A 38 0.841 -5.893 1.299 1.00 0.00 C ATOM 580 CG PHE A 38 2.220 -5.350 1.056 1.00 0.00 C ATOM 581 CD1 PHE A 38 2.477 -4.562 -0.055 1.00 0.00 C ATOM 582 CD2 PHE A 38 3.254 -5.615 1.938 1.00 0.00 C ATOM 583 CE1 PHE A 38 3.739 -4.051 -0.284 1.00 0.00 C ATOM 584 CE2 PHE A 38 4.518 -5.104 1.715 1.00 0.00 C ATOM 585 CZ PHE A 38 4.761 -4.322 0.603 1.00 0.00 C ATOM 0 H PHE A 38 -0.115 -2.922 2.055 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.050 -4.239 0.298 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.804 -6.353 2.287 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.631 -6.679 0.574 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.680 -4.345 -0.750 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.071 -6.227 2.809 1.00 0.00 H new ATOM 0 HE1 PHE A 38 3.926 -3.441 -1.155 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.316 -5.316 2.411 1.00 0.00 H new ATOM 0 HZ PHE A 38 5.749 -3.923 0.428 1.00 0.00 H new ATOM 595 N ASN A 39 -2.626 -4.758 1.636 1.00 0.00 N ATOM 596 CA ASN A 39 -4.001 -5.226 1.536 1.00 0.00 C ATOM 597 C ASN A 39 -4.595 -4.770 0.213 1.00 0.00 C ATOM 598 O ASN A 39 -4.820 -3.580 -0.006 1.00 0.00 O ATOM 599 CB ASN A 39 -4.835 -4.712 2.708 1.00 0.00 C ATOM 600 CG ASN A 39 -6.238 -5.286 2.720 1.00 0.00 C ATOM 601 OD1 ASN A 39 -6.557 -6.195 1.952 1.00 0.00 O ATOM 602 ND2 ASN A 39 -7.087 -4.758 3.594 1.00 0.00 N ATOM 0 H ASN A 39 -2.508 -3.898 2.171 1.00 0.00 H new ATOM 0 HA ASN A 39 -4.010 -6.315 1.575 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.335 -4.964 3.643 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.892 -3.625 2.660 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.045 -5.104 3.648 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.781 -4.006 4.212 1.00 0.00 H new ATOM 609 N THR A 40 -4.814 -5.725 -0.677 1.00 0.00 N ATOM 610 CA THR A 40 -5.343 -5.437 -1.998 1.00 0.00 C ATOM 611 C THR A 40 -6.782 -4.979 -1.894 1.00 0.00 C ATOM 612 O THR A 40 -7.344 -4.404 -2.827 1.00 0.00 O ATOM 613 CB THR A 40 -5.265 -6.682 -2.903 1.00 0.00 C ATOM 614 OG1 THR A 40 -6.484 -7.429 -2.818 1.00 0.00 O ATOM 615 CG2 THR A 40 -4.103 -7.574 -2.498 1.00 0.00 C ATOM 0 H THR A 40 -4.631 -6.714 -0.505 1.00 0.00 H new ATOM 0 HA THR A 40 -4.739 -4.644 -2.439 1.00 0.00 H new ATOM 0 HB THR A 40 -5.111 -6.345 -3.928 1.00 0.00 H new ATOM 0 HG1 THR A 40 -6.426 -8.217 -3.398 1.00 0.00 H new ATOM 0 HG21 THR A 40 -4.069 -8.446 -3.151 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.170 -7.018 -2.586 1.00 0.00 H new ATOM 0 HG23 THR A 40 -4.236 -7.899 -1.466 1.00 0.00 H new ATOM 623 N GLN A 41 -7.372 -5.265 -0.747 1.00 0.00 N ATOM 624 CA GLN A 41 -8.753 -4.925 -0.479 1.00 0.00 C ATOM 625 C GLN A 41 -8.875 -3.788 0.538 1.00 0.00 C ATOM 626 O GLN A 41 -9.977 -3.445 0.965 1.00 0.00 O ATOM 627 CB GLN A 41 -9.463 -6.170 0.037 1.00 0.00 C ATOM 628 CG GLN A 41 -10.131 -6.992 -1.052 1.00 0.00 C ATOM 629 CD GLN A 41 -11.603 -6.666 -1.208 1.00 0.00 C ATOM 630 OE1 GLN A 41 -11.927 -5.845 -2.202 1.00 0.00 O flip ATOM 631 NE2 GLN A 41 -12.442 -7.147 -0.446 1.00 0.00 N flip ATOM 0 H GLN A 41 -6.904 -5.740 0.025 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.214 -4.576 -1.403 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.742 -6.797 0.561 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.216 -5.871 0.767 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.621 -6.816 -1.999 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.020 -8.052 -0.822 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -12.150 -7.773 0.304 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -13.429 -6.919 -0.565 1.00 0.00 H new ATOM 640 N ALA A 42 -7.740 -3.222 0.938 1.00 0.00 N ATOM 641 CA ALA A 42 -7.726 -2.141 1.920 1.00 0.00 C ATOM 642 C ALA A 42 -8.375 -0.867 1.396 1.00 0.00 C ATOM 643 O ALA A 42 -8.062 -0.392 0.301 1.00 0.00 O ATOM 644 CB ALA A 42 -6.303 -1.845 2.361 1.00 0.00 C ATOM 0 H ALA A 42 -6.818 -3.494 0.598 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.314 -2.483 2.772 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.309 -1.037 3.093 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.868 -2.738 2.810 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.709 -1.547 1.497 1.00 0.00 H new ATOM 650 N THR A 43 -9.268 -0.311 2.206 1.00 0.00 N ATOM 651 CA THR A 43 -9.967 0.923 1.871 1.00 0.00 C ATOM 652 C THR A 43 -9.775 1.949 2.988 1.00 0.00 C ATOM 653 O THR A 43 -9.878 1.609 4.167 1.00 0.00 O ATOM 654 CB THR A 43 -11.475 0.680 1.669 1.00 0.00 C ATOM 655 OG1 THR A 43 -12.164 0.795 2.920 1.00 0.00 O ATOM 656 CG2 THR A 43 -11.729 -0.697 1.071 1.00 0.00 C ATOM 0 H THR A 43 -9.527 -0.702 3.112 1.00 0.00 H new ATOM 0 HA THR A 43 -9.547 1.298 0.938 1.00 0.00 H new ATOM 0 HB THR A 43 -11.850 1.434 0.977 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.122 0.641 2.781 1.00 0.00 H new ATOM 0 HG21 THR A 43 -12.801 -0.844 0.938 1.00 0.00 H new ATOM 0 HG22 THR A 43 -11.230 -0.772 0.105 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.338 -1.463 1.741 1.00 0.00 H new ATOM 664 N ASN A 44 -9.490 3.197 2.626 1.00 0.00 N ATOM 665 CA ASN A 44 -9.282 4.244 3.627 1.00 0.00 C ATOM 666 C ASN A 44 -9.808 5.591 3.137 1.00 0.00 C ATOM 667 O ASN A 44 -9.295 6.155 2.172 1.00 0.00 O ATOM 668 CB ASN A 44 -7.796 4.361 3.969 1.00 0.00 C ATOM 669 CG ASN A 44 -7.358 3.338 4.999 1.00 0.00 C ATOM 670 OD1 ASN A 44 -6.525 2.474 4.720 1.00 0.00 O ATOM 671 ND2 ASN A 44 -7.920 3.429 6.199 1.00 0.00 N ATOM 0 H ASN A 44 -9.398 3.508 1.659 1.00 0.00 H new ATOM 0 HA ASN A 44 -9.838 3.965 4.522 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -7.206 4.234 3.061 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -7.590 5.363 4.346 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -7.666 2.767 6.933 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -8.606 4.160 6.387 1.00 0.00 H new ATOM 678 N ARG A 45 -10.836 6.100 3.812 1.00 0.00 N ATOM 679 CA ARG A 45 -11.436 7.380 3.446 1.00 0.00 C ATOM 680 C ARG A 45 -10.671 8.548 4.061 1.00 0.00 C ATOM 681 O ARG A 45 -10.298 8.512 5.234 1.00 0.00 O ATOM 682 CB ARG A 45 -12.899 7.425 3.890 1.00 0.00 C ATOM 683 CG ARG A 45 -13.103 7.071 5.354 1.00 0.00 C ATOM 684 CD ARG A 45 -14.187 7.928 5.989 1.00 0.00 C ATOM 685 NE ARG A 45 -14.990 7.173 6.947 1.00 0.00 N ATOM 686 CZ ARG A 45 -16.169 7.582 7.406 1.00 0.00 C ATOM 687 NH1 ARG A 45 -16.681 8.734 6.993 1.00 0.00 N ATOM 688 NH2 ARG A 45 -16.838 6.838 8.275 1.00 0.00 N ATOM 0 H ARG A 45 -11.271 5.646 4.615 1.00 0.00 H new ATOM 0 HA ARG A 45 -11.385 7.474 2.361 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -13.294 8.424 3.708 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -13.478 6.736 3.274 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -13.373 6.018 5.441 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -12.167 7.206 5.896 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -13.728 8.779 6.492 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -14.835 8.329 5.210 1.00 0.00 H new ATOM 0 HE ARG A 45 -14.626 6.281 7.283 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -16.170 9.308 6.322 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -17.586 9.046 7.346 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -16.449 5.950 8.593 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -17.742 7.153 8.626 1.00 0.00 H new ATOM 702 N ASN A 46 -10.443 9.585 3.258 1.00 0.00 N ATOM 703 CA ASN A 46 -9.728 10.771 3.716 1.00 0.00 C ATOM 704 C ASN A 46 -10.689 11.932 3.944 1.00 0.00 C ATOM 705 O ASN A 46 -11.890 11.816 3.699 1.00 0.00 O ATOM 706 CB ASN A 46 -8.659 11.171 2.697 1.00 0.00 C ATOM 707 CG ASN A 46 -7.972 9.971 2.077 1.00 0.00 C ATOM 708 OD1 ASN A 46 -7.334 9.178 2.771 1.00 0.00 O ATOM 709 ND2 ASN A 46 -8.098 9.830 0.762 1.00 0.00 N ATOM 0 H ASN A 46 -10.745 9.626 2.284 1.00 0.00 H new ATOM 0 HA ASN A 46 -9.246 10.531 4.664 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -9.117 11.770 1.910 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -7.914 11.801 3.184 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -7.657 9.041 0.289 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -8.636 10.511 0.225 1.00 0.00 H new ATOM 716 N THR A 47 -10.150 13.049 4.422 1.00 0.00 N ATOM 717 CA THR A 47 -10.957 14.234 4.693 1.00 0.00 C ATOM 718 C THR A 47 -11.131 15.093 3.444 1.00 0.00 C ATOM 719 O THR A 47 -12.023 15.940 3.382 1.00 0.00 O ATOM 720 CB THR A 47 -10.330 15.095 5.806 1.00 0.00 C ATOM 721 OG1 THR A 47 -8.972 15.412 5.475 1.00 0.00 O ATOM 722 CG2 THR A 47 -10.374 14.368 7.141 1.00 0.00 C ATOM 0 H THR A 47 -9.157 13.159 4.630 1.00 0.00 H new ATOM 0 HA THR A 47 -11.934 13.876 5.018 1.00 0.00 H new ATOM 0 HB THR A 47 -10.907 16.016 5.891 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.581 15.961 6.187 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.926 14.995 7.912 1.00 0.00 H new ATOM 0 HG22 THR A 47 -11.410 14.154 7.405 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.818 13.434 7.065 1.00 0.00 H new ATOM 730 N ASP A 48 -10.275 14.873 2.450 1.00 0.00 N ATOM 731 CA ASP A 48 -10.339 15.632 1.204 1.00 0.00 C ATOM 732 C ASP A 48 -11.628 15.332 0.442 1.00 0.00 C ATOM 733 O ASP A 48 -11.987 16.043 -0.496 1.00 0.00 O ATOM 734 CB ASP A 48 -9.127 15.315 0.325 1.00 0.00 C ATOM 735 CG ASP A 48 -8.926 13.825 0.124 1.00 0.00 C ATOM 736 OD1 ASP A 48 -9.836 13.048 0.480 1.00 0.00 O ATOM 737 OD2 ASP A 48 -7.856 13.436 -0.389 1.00 0.00 O ATOM 0 H ASP A 48 -9.530 14.177 2.482 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.329 16.692 1.457 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -9.251 15.795 -0.646 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -8.232 15.741 0.779 1.00 0.00 H new ATOM 742 N GLY A 49 -12.316 14.273 0.854 1.00 0.00 N ATOM 743 CA GLY A 49 -13.557 13.893 0.203 1.00 0.00 C ATOM 744 C GLY A 49 -13.372 12.754 -0.779 1.00 0.00 C ATOM 745 O GLY A 49 -13.778 12.849 -1.938 1.00 0.00 O ATOM 0 H GLY A 49 -12.037 13.670 1.628 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -14.286 13.602 0.959 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.968 14.756 -0.320 1.00 0.00 H new ATOM 749 N SER A 50 -12.758 11.672 -0.311 1.00 0.00 N ATOM 750 CA SER A 50 -12.519 10.504 -1.151 1.00 0.00 C ATOM 751 C SER A 50 -12.077 9.307 -0.318 1.00 0.00 C ATOM 752 O SER A 50 -12.135 9.337 0.911 1.00 0.00 O ATOM 753 CB SER A 50 -11.465 10.817 -2.215 1.00 0.00 C ATOM 754 OG SER A 50 -10.547 11.792 -1.753 1.00 0.00 O ATOM 0 H SER A 50 -12.417 11.580 0.646 1.00 0.00 H new ATOM 0 HA SER A 50 -13.458 10.251 -1.643 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.929 9.905 -2.480 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.954 11.174 -3.121 1.00 0.00 H new ATOM 0 HG SER A 50 -10.468 11.731 -0.778 1.00 0.00 H new ATOM 760 N THR A 51 -11.644 8.254 -1.000 1.00 0.00 N ATOM 761 CA THR A 51 -11.199 7.040 -0.330 1.00 0.00 C ATOM 762 C THR A 51 -10.030 6.393 -1.064 1.00 0.00 C ATOM 763 O THR A 51 -9.716 6.753 -2.198 1.00 0.00 O ATOM 764 CB THR A 51 -12.345 6.021 -0.213 1.00 0.00 C ATOM 765 OG1 THR A 51 -13.598 6.704 -0.077 1.00 0.00 O ATOM 766 CG2 THR A 51 -12.136 5.097 0.978 1.00 0.00 C ATOM 0 H THR A 51 -11.592 8.217 -2.018 1.00 0.00 H new ATOM 0 HA THR A 51 -10.872 7.332 0.668 1.00 0.00 H new ATOM 0 HB THR A 51 -12.355 5.418 -1.121 1.00 0.00 H new ATOM 0 HG1 THR A 51 -14.329 6.096 -0.312 1.00 0.00 H new ATOM 0 HG21 THR A 51 -12.961 4.387 1.037 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.198 4.555 0.858 1.00 0.00 H new ATOM 0 HG23 THR A 51 -12.099 5.687 1.894 1.00 0.00 H new ATOM 774 N ASP A 52 -9.391 5.433 -0.404 1.00 0.00 N ATOM 775 CA ASP A 52 -8.256 4.720 -0.976 1.00 0.00 C ATOM 776 C ASP A 52 -8.557 3.237 -1.072 1.00 0.00 C ATOM 777 O ASP A 52 -8.306 2.478 -0.136 1.00 0.00 O ATOM 778 CB ASP A 52 -7.005 4.948 -0.125 1.00 0.00 C ATOM 779 CG ASP A 52 -6.549 6.394 -0.142 1.00 0.00 C ATOM 780 OD1 ASP A 52 -6.439 6.968 -1.246 1.00 0.00 O ATOM 781 OD2 ASP A 52 -6.301 6.952 0.947 1.00 0.00 O ATOM 0 H ASP A 52 -9.644 5.129 0.536 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.075 5.105 -1.979 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.208 4.646 0.902 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.199 4.312 -0.491 1.00 0.00 H new ATOM 786 N TYR A 53 -9.101 2.830 -2.211 1.00 0.00 N ATOM 787 CA TYR A 53 -9.443 1.436 -2.430 1.00 0.00 C ATOM 788 C TYR A 53 -8.364 0.720 -3.230 1.00 0.00 C ATOM 789 O TYR A 53 -8.505 0.529 -4.435 1.00 0.00 O ATOM 790 CB TYR A 53 -10.774 1.308 -3.176 1.00 0.00 C ATOM 791 CG TYR A 53 -11.925 2.074 -2.563 1.00 0.00 C ATOM 792 CD1 TYR A 53 -12.506 1.658 -1.373 1.00 0.00 C ATOM 793 CD2 TYR A 53 -12.441 3.204 -3.185 1.00 0.00 C ATOM 794 CE1 TYR A 53 -13.567 2.347 -0.817 1.00 0.00 C ATOM 795 CE2 TYR A 53 -13.503 3.897 -2.637 1.00 0.00 C ATOM 796 CZ TYR A 53 -14.063 3.464 -1.454 1.00 0.00 C ATOM 797 OH TYR A 53 -15.122 4.151 -0.906 1.00 0.00 O ATOM 0 H TYR A 53 -9.314 3.447 -2.995 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.529 0.973 -1.447 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -10.634 1.651 -4.201 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -11.045 0.253 -3.227 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -12.122 0.781 -0.873 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -12.005 3.546 -4.112 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -14.005 2.012 0.112 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -13.893 4.774 -3.133 1.00 0.00 H new ATOM 0 HH TYR A 53 -15.101 4.061 0.070 1.00 0.00 H new ATOM 807 N GLY A 54 -7.271 0.342 -2.586 1.00 0.00 N ATOM 808 CA GLY A 54 -6.218 -0.345 -3.311 1.00 0.00 C ATOM 809 C GLY A 54 -4.942 -0.481 -2.511 1.00 0.00 C ATOM 810 O GLY A 54 -4.734 0.244 -1.537 1.00 0.00 O ATOM 0 H GLY A 54 -7.093 0.494 -1.593 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.569 -1.337 -3.597 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.006 0.196 -4.233 1.00 0.00 H new ATOM 814 N ILE A 55 -4.068 -1.387 -2.942 1.00 0.00 N ATOM 815 CA ILE A 55 -2.791 -1.576 -2.273 1.00 0.00 C ATOM 816 C ILE A 55 -1.973 -0.305 -2.441 1.00 0.00 C ATOM 817 O ILE A 55 -1.114 0.021 -1.621 1.00 0.00 O ATOM 818 CB ILE A 55 -2.000 -2.768 -2.856 1.00 0.00 C ATOM 819 CG1 ILE A 55 -0.753 -3.039 -2.012 1.00 0.00 C ATOM 820 CG2 ILE A 55 -1.618 -2.483 -4.303 1.00 0.00 C ATOM 821 CD1 ILE A 55 0.094 -4.183 -2.529 1.00 0.00 C ATOM 0 H ILE A 55 -4.222 -1.996 -3.746 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.981 -1.791 -1.222 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.630 -3.657 -2.832 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.145 -2.135 -1.977 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.058 -3.258 -0.989 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.061 -3.329 -4.706 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.521 -2.329 -4.894 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.999 -1.587 -4.346 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.960 -4.316 -1.881 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.497 -5.099 -2.538 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.430 -3.958 -3.541 1.00 0.00 H new ATOM 833 N LEU A 56 -2.287 0.420 -3.511 1.00 0.00 N ATOM 834 CA LEU A 56 -1.633 1.681 -3.815 1.00 0.00 C ATOM 835 C LEU A 56 -2.623 2.822 -3.604 1.00 0.00 C ATOM 836 O LEU A 56 -2.336 3.974 -3.932 1.00 0.00 O ATOM 837 CB LEU A 56 -1.105 1.695 -5.257 1.00 0.00 C ATOM 838 CG LEU A 56 0.414 1.883 -5.404 1.00 0.00 C ATOM 839 CD1 LEU A 56 0.915 2.989 -4.485 1.00 0.00 C ATOM 840 CD2 LEU A 56 1.139 0.578 -5.111 1.00 0.00 C ATOM 0 H LEU A 56 -3.000 0.148 -4.187 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.780 1.806 -3.148 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.386 0.758 -5.737 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.607 2.495 -5.801 1.00 0.00 H new ATOM 0 HG LEU A 56 0.624 2.176 -6.433 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.992 3.103 -4.607 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.420 3.926 -4.740 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.692 2.731 -3.450 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.213 0.726 -5.219 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.917 0.259 -4.092 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.806 -0.188 -5.811 1.00 0.00 H new ATOM 852 N GLN A 57 -3.792 2.483 -3.043 1.00 0.00 N ATOM 853 CA GLN A 57 -4.847 3.455 -2.760 1.00 0.00 C ATOM 854 C GLN A 57 -5.547 3.930 -4.032 1.00 0.00 C ATOM 855 O GLN A 57 -5.315 5.051 -4.486 1.00 0.00 O ATOM 856 CB GLN A 57 -4.275 4.657 -2.001 1.00 0.00 C ATOM 857 CG GLN A 57 -3.588 4.283 -0.698 1.00 0.00 C ATOM 858 CD GLN A 57 -3.357 5.481 0.203 1.00 0.00 C ATOM 859 OE1 GLN A 57 -2.821 6.502 -0.228 1.00 0.00 O ATOM 860 NE2 GLN A 57 -3.761 5.360 1.462 1.00 0.00 N ATOM 0 H GLN A 57 -4.029 1.528 -2.775 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.590 2.953 -2.140 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.562 5.175 -2.642 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.081 5.359 -1.788 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -4.194 3.547 -0.170 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.632 3.809 -0.919 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.201 4.495 1.776 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.632 6.132 2.116 1.00 0.00 H new ATOM 869 N ILE A 58 -6.401 3.081 -4.618 1.00 0.00 N ATOM 870 CA ILE A 58 -7.100 3.459 -5.829 1.00 0.00 C ATOM 871 C ILE A 58 -8.331 4.274 -5.491 1.00 0.00 C ATOM 872 O ILE A 58 -9.399 3.724 -5.217 1.00 0.00 O ATOM 873 CB ILE A 58 -7.510 2.227 -6.657 1.00 0.00 C ATOM 874 CG1 ILE A 58 -6.369 1.204 -6.694 1.00 0.00 C ATOM 875 CG2 ILE A 58 -7.904 2.643 -8.067 1.00 0.00 C ATOM 876 CD1 ILE A 58 -5.039 1.784 -7.129 1.00 0.00 C ATOM 0 H ILE A 58 -6.615 2.146 -4.272 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.415 4.059 -6.428 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.374 1.761 -6.183 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.256 0.764 -5.703 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.641 0.395 -7.372 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.191 1.761 -8.640 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.745 3.335 -8.021 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -7.059 3.131 -8.552 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.283 0.999 -7.130 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.134 2.198 -8.133 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.742 2.573 -6.438 1.00 0.00 H new ATOM 888 N ASN A 59 -8.181 5.590 -5.520 1.00 0.00 N ATOM 889 CA ASN A 59 -9.287 6.479 -5.228 1.00 0.00 C ATOM 890 C ASN A 59 -10.329 6.363 -6.324 1.00 0.00 C ATOM 891 O ASN A 59 -10.211 6.994 -7.374 1.00 0.00 O ATOM 892 CB ASN A 59 -8.790 7.919 -5.115 1.00 0.00 C ATOM 893 CG ASN A 59 -9.888 8.889 -4.725 1.00 0.00 C ATOM 894 OD1 ASN A 59 -11.036 8.498 -4.519 1.00 0.00 O ATOM 895 ND2 ASN A 59 -9.536 10.166 -4.617 1.00 0.00 N ATOM 0 H ASN A 59 -7.304 6.062 -5.743 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.737 6.196 -4.276 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.990 7.966 -4.376 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.361 8.227 -6.069 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.230 10.866 -4.354 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.572 10.446 -4.797 1.00 0.00 H new ATOM 902 N SER A 60 -11.349 5.551 -6.081 1.00 0.00 N ATOM 903 CA SER A 60 -12.412 5.352 -7.060 1.00 0.00 C ATOM 904 C SER A 60 -13.195 6.641 -7.314 1.00 0.00 C ATOM 905 O SER A 60 -13.958 6.730 -8.274 1.00 0.00 O ATOM 906 CB SER A 60 -13.365 4.252 -6.587 1.00 0.00 C ATOM 907 OG SER A 60 -14.300 4.755 -5.647 1.00 0.00 O ATOM 0 H SER A 60 -11.464 5.020 -5.217 1.00 0.00 H new ATOM 0 HA SER A 60 -11.944 5.052 -7.998 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.895 3.833 -7.443 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.793 3.440 -6.137 1.00 0.00 H new ATOM 0 HG SER A 60 -14.111 4.377 -4.763 1.00 0.00 H new ATOM 913 N ARG A 61 -13.005 7.638 -6.454 1.00 0.00 N ATOM 914 CA ARG A 61 -13.700 8.912 -6.606 1.00 0.00 C ATOM 915 C ARG A 61 -12.785 9.955 -7.239 1.00 0.00 C ATOM 916 O ARG A 61 -12.988 11.158 -7.077 1.00 0.00 O ATOM 917 CB ARG A 61 -14.199 9.410 -5.247 1.00 0.00 C ATOM 918 CG ARG A 61 -15.464 10.249 -5.334 1.00 0.00 C ATOM 919 CD ARG A 61 -15.981 10.620 -3.954 1.00 0.00 C ATOM 920 NE ARG A 61 -17.315 11.211 -4.011 1.00 0.00 N ATOM 921 CZ ARG A 61 -17.924 11.760 -2.964 1.00 0.00 C ATOM 922 NH1 ARG A 61 -17.320 11.796 -1.784 1.00 0.00 N ATOM 923 NH2 ARG A 61 -19.139 12.275 -3.097 1.00 0.00 N ATOM 0 H ARG A 61 -12.380 7.589 -5.650 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.555 8.757 -7.264 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -14.386 8.552 -4.601 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.413 10.000 -4.775 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -15.262 11.156 -5.904 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -16.232 9.696 -5.875 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -16.005 9.730 -3.325 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -15.292 11.323 -3.486 1.00 0.00 H new ATOM 0 HE ARG A 61 -17.807 11.202 -4.904 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -16.385 11.402 -1.677 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -17.790 12.218 -0.983 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -19.607 12.250 -4.003 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -19.605 12.696 -2.293 1.00 0.00 H new ATOM 937 N TRP A 62 -11.774 9.478 -7.958 1.00 0.00 N ATOM 938 CA TRP A 62 -10.822 10.372 -8.614 1.00 0.00 C ATOM 939 C TRP A 62 -10.040 9.688 -9.739 1.00 0.00 C ATOM 940 O TRP A 62 -9.361 10.362 -10.515 1.00 0.00 O ATOM 941 CB TRP A 62 -9.846 10.943 -7.585 1.00 0.00 C ATOM 942 CG TRP A 62 -9.640 12.421 -7.716 1.00 0.00 C ATOM 943 CD1 TRP A 62 -10.581 13.397 -7.556 1.00 0.00 C ATOM 944 CD2 TRP A 62 -8.415 13.092 -8.034 1.00 0.00 C ATOM 945 NE1 TRP A 62 -10.017 14.634 -7.755 1.00 0.00 N ATOM 946 CE2 TRP A 62 -8.688 14.473 -8.050 1.00 0.00 C ATOM 947 CE3 TRP A 62 -7.115 12.659 -8.307 1.00 0.00 C ATOM 948 CZ2 TRP A 62 -7.708 15.423 -8.328 1.00 0.00 C ATOM 949 CZ3 TRP A 62 -6.142 13.603 -8.582 1.00 0.00 C ATOM 950 CH2 TRP A 62 -6.444 14.971 -8.591 1.00 0.00 C ATOM 0 H TRP A 62 -11.592 8.485 -8.102 1.00 0.00 H new ATOM 0 HA TRP A 62 -11.405 11.174 -9.067 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -10.215 10.723 -6.584 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -8.885 10.439 -7.688 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -11.618 13.222 -7.309 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -10.507 15.526 -7.693 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -6.874 11.606 -8.303 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -7.938 16.478 -8.336 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -5.133 13.280 -8.793 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -5.663 15.684 -8.810 1.00 0.00 H new ATOM 961 N TRP A 63 -10.113 8.361 -9.826 1.00 0.00 N ATOM 962 CA TRP A 63 -9.381 7.637 -10.859 1.00 0.00 C ATOM 963 C TRP A 63 -10.261 6.623 -11.579 1.00 0.00 C ATOM 964 O TRP A 63 -10.586 6.789 -12.753 1.00 0.00 O ATOM 965 CB TRP A 63 -8.175 6.920 -10.244 1.00 0.00 C ATOM 966 CG TRP A 63 -7.109 7.855 -9.767 1.00 0.00 C ATOM 967 CD1 TRP A 63 -6.514 7.882 -8.537 1.00 0.00 C ATOM 968 CD2 TRP A 63 -6.519 8.908 -10.520 1.00 0.00 C ATOM 969 NE1 TRP A 63 -5.578 8.891 -8.491 1.00 0.00 N ATOM 970 CE2 TRP A 63 -5.567 9.538 -9.701 1.00 0.00 C ATOM 971 CE3 TRP A 63 -6.707 9.373 -11.816 1.00 0.00 C ATOM 972 CZ2 TRP A 63 -4.804 10.617 -10.145 1.00 0.00 C ATOM 973 CZ3 TRP A 63 -5.962 10.439 -12.258 1.00 0.00 C ATOM 974 CH2 TRP A 63 -5.016 11.057 -11.426 1.00 0.00 C ATOM 0 H TRP A 63 -10.665 7.773 -9.201 1.00 0.00 H new ATOM 0 HA TRP A 63 -9.045 8.370 -11.592 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -8.513 6.308 -9.407 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -7.749 6.242 -10.983 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -6.744 7.212 -7.722 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -4.990 9.120 -7.690 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -7.429 8.903 -12.467 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -4.074 11.088 -9.504 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -6.107 10.808 -13.263 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -4.445 11.894 -11.801 1.00 0.00 H new ATOM 985 N CYS A 64 -10.606 5.556 -10.877 1.00 0.00 N ATOM 986 CA CYS A 64 -11.413 4.496 -11.465 1.00 0.00 C ATOM 987 C CYS A 64 -12.900 4.702 -11.237 1.00 0.00 C ATOM 988 O CYS A 64 -13.317 5.358 -10.284 1.00 0.00 O ATOM 989 CB CYS A 64 -10.989 3.130 -10.916 1.00 0.00 C ATOM 990 SG CYS A 64 -11.772 2.676 -9.331 1.00 0.00 S ATOM 0 H CYS A 64 -10.342 5.400 -9.904 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.238 4.529 -12.540 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -11.226 2.366 -11.656 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -9.907 3.124 -10.787 1.00 0.00 H new ATOM 995 N ASN A 65 -13.691 4.121 -12.131 1.00 0.00 N ATOM 996 CA ASN A 65 -15.144 4.215 -12.054 1.00 0.00 C ATOM 997 C ASN A 65 -15.722 3.000 -11.335 1.00 0.00 C ATOM 998 O ASN A 65 -15.776 1.903 -11.893 1.00 0.00 O ATOM 999 CB ASN A 65 -15.746 4.329 -13.455 1.00 0.00 C ATOM 1000 CG ASN A 65 -17.193 4.781 -13.428 1.00 0.00 C ATOM 1001 OD1 ASN A 65 -18.111 3.969 -13.538 1.00 0.00 O ATOM 1002 ND2 ASN A 65 -17.402 6.084 -13.281 1.00 0.00 N ATOM 0 H ASN A 65 -13.348 3.577 -12.922 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.399 5.110 -11.487 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.159 5.034 -14.043 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -15.679 3.363 -13.956 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -18.354 6.448 -13.256 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -16.610 6.721 -13.193 1.00 0.00 H new ATOM 1009 N ASP A 66 -16.146 3.202 -10.093 1.00 0.00 N ATOM 1010 CA ASP A 66 -16.714 2.122 -9.293 1.00 0.00 C ATOM 1011 C ASP A 66 -18.237 2.127 -9.364 1.00 0.00 C ATOM 1012 O ASP A 66 -18.885 1.122 -9.070 1.00 0.00 O ATOM 1013 CB ASP A 66 -16.255 2.241 -7.839 1.00 0.00 C ATOM 1014 CG ASP A 66 -16.875 3.428 -7.130 1.00 0.00 C ATOM 1015 OD1 ASP A 66 -17.082 4.471 -7.785 1.00 0.00 O ATOM 1016 OD2 ASP A 66 -17.154 3.315 -5.917 1.00 0.00 O ATOM 0 H ASP A 66 -16.107 4.104 -9.617 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.358 1.177 -9.703 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -16.513 1.327 -7.304 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.169 2.331 -7.810 1.00 0.00 H new ATOM 1021 N GLY A 67 -18.805 3.262 -9.762 1.00 0.00 N ATOM 1022 CA GLY A 67 -20.250 3.373 -9.871 1.00 0.00 C ATOM 1023 C GLY A 67 -20.940 3.464 -8.521 1.00 0.00 C ATOM 1024 O GLY A 67 -22.117 3.822 -8.445 1.00 0.00 O ATOM 0 H GLY A 67 -18.291 4.107 -10.011 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -20.498 4.256 -10.460 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.636 2.509 -10.413 1.00 0.00 H new ATOM 1028 N ARG A 68 -20.215 3.137 -7.456 1.00 0.00 N ATOM 1029 CA ARG A 68 -20.773 3.183 -6.109 1.00 0.00 C ATOM 1030 C ARG A 68 -20.691 4.592 -5.533 1.00 0.00 C ATOM 1031 O ARG A 68 -21.168 4.849 -4.427 1.00 0.00 O ATOM 1032 CB ARG A 68 -20.035 2.202 -5.195 1.00 0.00 C ATOM 1033 CG ARG A 68 -20.082 0.763 -5.682 1.00 0.00 C ATOM 1034 CD ARG A 68 -21.428 0.119 -5.387 1.00 0.00 C ATOM 1035 NE ARG A 68 -21.350 -0.828 -4.278 1.00 0.00 N ATOM 1036 CZ ARG A 68 -21.981 -1.999 -4.263 1.00 0.00 C ATOM 1037 NH1 ARG A 68 -22.733 -2.365 -5.292 1.00 0.00 N ATOM 1038 NH2 ARG A 68 -21.860 -2.805 -3.217 1.00 0.00 N ATOM 0 H ARG A 68 -19.241 2.838 -7.499 1.00 0.00 H new ATOM 0 HA ARG A 68 -21.823 2.895 -6.168 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -18.994 2.513 -5.107 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -20.468 2.253 -4.196 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -19.891 0.734 -6.755 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -19.290 0.189 -5.202 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -22.157 0.894 -5.151 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -21.787 -0.395 -6.278 1.00 0.00 H new ATOM 0 HE ARG A 68 -20.780 -0.578 -3.470 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -22.829 -1.748 -6.098 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -23.215 -3.264 -5.277 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -21.283 -2.527 -2.423 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -22.344 -3.703 -3.206 1.00 0.00 H new ATOM 1052 N THR A 69 -20.086 5.502 -6.288 1.00 0.00 N ATOM 1053 CA THR A 69 -19.943 6.886 -5.852 1.00 0.00 C ATOM 1054 C THR A 69 -20.097 7.852 -7.024 1.00 0.00 C ATOM 1055 O THR A 69 -19.321 7.810 -7.979 1.00 0.00 O ATOM 1056 CB THR A 69 -18.576 7.125 -5.182 1.00 0.00 C ATOM 1057 OG1 THR A 69 -18.123 5.923 -4.549 1.00 0.00 O ATOM 1058 CG2 THR A 69 -18.667 8.242 -4.153 1.00 0.00 C ATOM 0 H THR A 69 -19.686 5.306 -7.206 1.00 0.00 H new ATOM 0 HA THR A 69 -20.734 7.071 -5.125 1.00 0.00 H new ATOM 0 HB THR A 69 -17.864 7.419 -5.954 1.00 0.00 H new ATOM 0 HG1 THR A 69 -17.821 5.288 -5.231 1.00 0.00 H new ATOM 0 HG21 THR A 69 -17.691 8.393 -3.693 1.00 0.00 H new ATOM 0 HG22 THR A 69 -18.984 9.163 -4.643 1.00 0.00 H new ATOM 0 HG23 THR A 69 -19.392 7.971 -3.385 1.00 0.00 H new ATOM 1066 N PRO A 70 -21.106 8.742 -6.969 1.00 0.00 N ATOM 1067 CA PRO A 70 -21.354 9.720 -8.033 1.00 0.00 C ATOM 1068 C PRO A 70 -20.269 10.788 -8.101 1.00 0.00 C ATOM 1069 O PRO A 70 -19.687 11.161 -7.081 1.00 0.00 O ATOM 1070 CB PRO A 70 -22.695 10.343 -7.640 1.00 0.00 C ATOM 1071 CG PRO A 70 -22.781 10.161 -6.164 1.00 0.00 C ATOM 1072 CD PRO A 70 -22.080 8.865 -5.867 1.00 0.00 C ATOM 0 HA PRO A 70 -21.359 9.256 -9.019 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -22.736 11.398 -7.912 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -23.524 9.851 -8.148 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -22.307 10.991 -5.640 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -23.819 10.128 -5.834 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -21.586 8.889 -4.895 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -22.776 8.026 -5.851 1.00 0.00 H new ATOM 1080 N GLY A 71 -20.000 11.277 -9.307 1.00 0.00 N ATOM 1081 CA GLY A 71 -18.984 12.297 -9.486 1.00 0.00 C ATOM 1082 C GLY A 71 -17.642 11.716 -9.881 1.00 0.00 C ATOM 1083 O GLY A 71 -16.630 12.418 -9.886 1.00 0.00 O ATOM 0 H GLY A 71 -20.468 10.984 -10.165 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -19.311 13.001 -10.251 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -18.874 12.862 -8.560 1.00 0.00 H new ATOM 1087 N SER A 72 -17.632 10.428 -10.213 1.00 0.00 N ATOM 1088 CA SER A 72 -16.404 9.749 -10.611 1.00 0.00 C ATOM 1089 C SER A 72 -15.817 10.382 -11.868 1.00 0.00 C ATOM 1090 O SER A 72 -16.482 10.474 -12.899 1.00 0.00 O ATOM 1091 CB SER A 72 -16.675 8.263 -10.853 1.00 0.00 C ATOM 1092 OG SER A 72 -15.464 7.534 -10.958 1.00 0.00 O ATOM 0 H SER A 72 -18.461 9.834 -10.214 1.00 0.00 H new ATOM 0 HA SER A 72 -15.681 9.852 -9.802 1.00 0.00 H new ATOM 0 HB2 SER A 72 -17.275 7.862 -10.036 1.00 0.00 H new ATOM 0 HB3 SER A 72 -17.257 8.140 -11.766 1.00 0.00 H new ATOM 0 HG SER A 72 -15.102 7.370 -10.062 1.00 0.00 H new ATOM 1098 N ARG A 73 -14.564 10.815 -11.772 1.00 0.00 N ATOM 1099 CA ARG A 73 -13.883 11.440 -12.900 1.00 0.00 C ATOM 1100 C ARG A 73 -13.489 10.398 -13.943 1.00 0.00 C ATOM 1101 O ARG A 73 -13.639 10.623 -15.144 1.00 0.00 O ATOM 1102 CB ARG A 73 -12.640 12.193 -12.419 1.00 0.00 C ATOM 1103 CG ARG A 73 -12.808 13.704 -12.416 1.00 0.00 C ATOM 1104 CD ARG A 73 -11.720 14.386 -13.228 1.00 0.00 C ATOM 1105 NE ARG A 73 -11.919 15.831 -13.305 1.00 0.00 N ATOM 1106 CZ ARG A 73 -12.334 16.462 -14.399 1.00 0.00 C ATOM 1107 NH1 ARG A 73 -12.593 15.778 -15.505 1.00 0.00 N ATOM 1108 NH2 ARG A 73 -12.491 17.778 -14.388 1.00 0.00 N ATOM 0 H ARG A 73 -14.000 10.745 -10.925 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.572 12.147 -13.362 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.392 11.861 -11.411 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -11.797 11.931 -13.058 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -13.785 13.963 -12.824 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -12.783 14.072 -11.390 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -10.749 14.177 -12.780 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -11.703 13.968 -14.235 1.00 0.00 H new ATOM 0 HE ARG A 73 -11.729 16.388 -12.472 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -12.474 14.765 -15.518 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -12.911 16.265 -16.343 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -12.293 18.308 -13.539 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -12.809 18.261 -15.228 1.00 0.00 H new ATOM 1122 N ASN A 74 -12.975 9.263 -13.471 1.00 0.00 N ATOM 1123 CA ASN A 74 -12.549 8.182 -14.357 1.00 0.00 C ATOM 1124 C ASN A 74 -11.356 8.637 -15.187 1.00 0.00 C ATOM 1125 O ASN A 74 -11.167 8.204 -16.324 1.00 0.00 O ATOM 1126 CB ASN A 74 -13.697 7.747 -15.273 1.00 0.00 C ATOM 1127 CG ASN A 74 -13.613 6.282 -15.650 1.00 0.00 C ATOM 1128 OD1 ASN A 74 -13.096 5.461 -14.892 1.00 0.00 O ATOM 1129 ND2 ASN A 74 -14.124 5.944 -16.829 1.00 0.00 N ATOM 0 H ASN A 74 -12.844 9.069 -12.478 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.257 7.326 -13.748 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.648 7.937 -14.775 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.685 8.353 -16.179 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.097 4.972 -17.137 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -14.543 6.657 -17.426 1.00 0.00 H new ATOM 1136 N LEU A 75 -10.543 9.498 -14.586 1.00 0.00 N ATOM 1137 CA LEU A 75 -9.345 10.015 -15.213 1.00 0.00 C ATOM 1138 C LEU A 75 -8.484 8.890 -15.712 1.00 0.00 C ATOM 1139 O LEU A 75 -8.057 8.835 -16.865 1.00 0.00 O ATOM 1140 CB LEU A 75 -8.567 10.769 -14.156 1.00 0.00 C ATOM 1141 CG LEU A 75 -8.842 12.269 -14.086 1.00 0.00 C ATOM 1142 CD1 LEU A 75 -8.079 12.905 -12.934 1.00 0.00 C ATOM 1143 CD2 LEU A 75 -8.485 12.944 -15.403 1.00 0.00 C ATOM 0 H LEU A 75 -10.703 9.856 -13.644 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.618 10.654 -16.053 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.789 10.330 -13.183 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.503 10.620 -14.337 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.908 12.410 -13.907 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.290 13.974 -12.904 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.390 12.447 -11.995 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -7.009 12.751 -13.077 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.689 14.012 -15.331 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.427 12.790 -15.616 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.083 12.514 -16.206 1.00 0.00 H new ATOM 1155 N CYS A 76 -8.258 8.001 -14.788 1.00 0.00 N ATOM 1156 CA CYS A 76 -7.469 6.827 -15.001 1.00 0.00 C ATOM 1157 C CYS A 76 -8.230 5.856 -15.893 1.00 0.00 C ATOM 1158 O CYS A 76 -7.640 5.112 -16.677 1.00 0.00 O ATOM 1159 CB CYS A 76 -7.199 6.232 -13.641 1.00 0.00 C ATOM 1160 SG CYS A 76 -5.493 5.667 -13.373 1.00 0.00 S ATOM 0 H CYS A 76 -8.629 8.077 -13.841 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.528 7.055 -15.502 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.443 6.975 -12.881 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -7.873 5.389 -13.490 1.00 0.00 H new ATOM 1165 N ASN A 77 -9.554 5.884 -15.757 1.00 0.00 N ATOM 1166 CA ASN A 77 -10.430 5.018 -16.536 1.00 0.00 C ATOM 1167 C ASN A 77 -9.997 3.572 -16.379 1.00 0.00 C ATOM 1168 O ASN A 77 -9.747 2.872 -17.361 1.00 0.00 O ATOM 1169 CB ASN A 77 -10.405 5.422 -18.013 1.00 0.00 C ATOM 1170 CG ASN A 77 -11.778 5.353 -18.653 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -12.319 6.510 -19.018 1.00 0.00 O flip ATOM 1172 ND2 ASN A 77 -12.345 4.274 -18.820 1.00 0.00 N flip ATOM 0 H ASN A 77 -10.044 6.502 -15.110 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.450 5.125 -16.167 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -10.015 6.436 -18.103 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -9.721 4.768 -18.554 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -11.893 3.409 -18.524 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -13.268 4.244 -19.254 1.00 0.00 H new ATOM 1179 N ILE A 78 -9.891 3.139 -15.131 1.00 0.00 N ATOM 1180 CA ILE A 78 -9.467 1.785 -14.835 1.00 0.00 C ATOM 1181 C ILE A 78 -10.562 0.996 -14.124 1.00 0.00 C ATOM 1182 O ILE A 78 -11.368 1.565 -13.388 1.00 0.00 O ATOM 1183 CB ILE A 78 -8.186 1.778 -13.973 1.00 0.00 C ATOM 1184 CG1 ILE A 78 -8.512 1.495 -12.496 1.00 0.00 C ATOM 1185 CG2 ILE A 78 -7.466 3.105 -14.129 1.00 0.00 C ATOM 1186 CD1 ILE A 78 -7.698 2.307 -11.509 1.00 0.00 C ATOM 0 H ILE A 78 -10.094 3.708 -14.309 1.00 0.00 H new ATOM 0 HA ILE A 78 -9.256 1.305 -15.790 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.532 0.977 -14.317 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.570 1.693 -12.326 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -8.350 0.436 -12.297 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.561 3.102 -13.521 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -7.199 3.254 -15.175 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -8.119 3.914 -13.803 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.992 2.045 -10.493 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.638 2.092 -11.647 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.878 3.369 -11.676 1.00 0.00 H new ATOM 1198 N PRO A 79 -10.595 -0.331 -14.314 1.00 0.00 N ATOM 1199 CA PRO A 79 -11.577 -1.188 -13.663 1.00 0.00 C ATOM 1200 C PRO A 79 -11.191 -1.417 -12.207 1.00 0.00 C ATOM 1201 O PRO A 79 -10.177 -2.054 -11.920 1.00 0.00 O ATOM 1202 CB PRO A 79 -11.512 -2.503 -14.458 1.00 0.00 C ATOM 1203 CG PRO A 79 -10.529 -2.273 -15.566 1.00 0.00 C ATOM 1204 CD PRO A 79 -9.677 -1.107 -15.149 1.00 0.00 C ATOM 0 HA PRO A 79 -12.578 -0.757 -13.655 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -11.194 -3.328 -13.821 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -12.492 -2.767 -14.855 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -9.918 -3.160 -15.732 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -11.044 -2.061 -16.503 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -8.795 -1.426 -14.595 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -9.325 -0.534 -16.007 1.00 0.00 H new ATOM 1212 N CYS A 80 -11.987 -0.880 -11.292 1.00 0.00 N ATOM 1213 CA CYS A 80 -11.707 -1.012 -9.868 1.00 0.00 C ATOM 1214 C CYS A 80 -11.704 -2.478 -9.434 1.00 0.00 C ATOM 1215 O CYS A 80 -10.703 -2.975 -8.923 1.00 0.00 O ATOM 1216 CB CYS A 80 -12.726 -0.209 -9.058 1.00 0.00 C ATOM 1217 SG CYS A 80 -13.229 1.356 -9.852 1.00 0.00 S ATOM 0 H CYS A 80 -12.831 -0.350 -11.510 1.00 0.00 H new ATOM 0 HA CYS A 80 -10.711 -0.613 -9.678 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -13.611 -0.823 -8.894 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -12.305 0.011 -8.077 1.00 0.00 H new ATOM 1222 N SER A 81 -12.830 -3.158 -9.621 1.00 0.00 N ATOM 1223 CA SER A 81 -12.953 -4.562 -9.230 1.00 0.00 C ATOM 1224 C SER A 81 -11.870 -5.436 -9.868 1.00 0.00 C ATOM 1225 O SER A 81 -11.521 -6.486 -9.330 1.00 0.00 O ATOM 1226 CB SER A 81 -14.336 -5.093 -9.609 1.00 0.00 C ATOM 1227 OG SER A 81 -14.436 -5.302 -11.007 1.00 0.00 O ATOM 0 H SER A 81 -13.671 -2.762 -10.040 1.00 0.00 H new ATOM 0 HA SER A 81 -12.822 -4.610 -8.149 1.00 0.00 H new ATOM 0 HB2 SER A 81 -14.526 -6.029 -9.084 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.101 -4.386 -9.288 1.00 0.00 H new ATOM 0 HG SER A 81 -15.329 -5.643 -11.224 1.00 0.00 H new ATOM 1233 N ALA A 82 -11.346 -5.009 -11.016 1.00 0.00 N ATOM 1234 CA ALA A 82 -10.310 -5.774 -11.711 1.00 0.00 C ATOM 1235 C ALA A 82 -8.961 -5.656 -11.008 1.00 0.00 C ATOM 1236 O ALA A 82 -8.019 -6.383 -11.321 1.00 0.00 O ATOM 1237 CB ALA A 82 -10.193 -5.318 -13.156 1.00 0.00 C ATOM 0 H ALA A 82 -11.619 -4.144 -11.482 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.605 -6.823 -11.693 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -9.418 -5.897 -13.659 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -11.146 -5.469 -13.664 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.931 -4.260 -13.184 1.00 0.00 H new ATOM 1243 N LEU A 83 -8.882 -4.740 -10.051 1.00 0.00 N ATOM 1244 CA LEU A 83 -7.655 -4.529 -9.293 1.00 0.00 C ATOM 1245 C LEU A 83 -7.779 -5.131 -7.899 1.00 0.00 C ATOM 1246 O LEU A 83 -6.796 -5.241 -7.166 1.00 0.00 O ATOM 1247 CB LEU A 83 -7.333 -3.033 -9.194 1.00 0.00 C ATOM 1248 CG LEU A 83 -7.960 -2.301 -8.005 1.00 0.00 C ATOM 1249 CD1 LEU A 83 -6.954 -2.158 -6.874 1.00 0.00 C ATOM 1250 CD2 LEU A 83 -8.478 -0.937 -8.436 1.00 0.00 C ATOM 0 H LEU A 83 -9.654 -4.131 -9.781 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.840 -5.027 -9.818 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.251 -2.915 -9.141 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -7.662 -2.547 -10.112 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.801 -2.891 -7.641 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.418 -1.635 -6.038 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.629 -3.146 -6.549 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.092 -1.590 -7.223 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.921 -0.429 -7.580 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -7.653 -0.341 -8.825 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -9.232 -1.063 -9.213 1.00 0.00 H new ATOM 1262 N LEU A 84 -8.999 -5.509 -7.540 1.00 0.00 N ATOM 1263 CA LEU A 84 -9.269 -6.089 -6.233 1.00 0.00 C ATOM 1264 C LEU A 84 -9.595 -7.574 -6.351 1.00 0.00 C ATOM 1265 O LEU A 84 -10.466 -8.091 -5.652 1.00 0.00 O ATOM 1266 CB LEU A 84 -10.422 -5.336 -5.572 1.00 0.00 C ATOM 1267 CG LEU A 84 -10.507 -3.862 -5.961 1.00 0.00 C ATOM 1268 CD1 LEU A 84 -11.951 -3.389 -5.971 1.00 0.00 C ATOM 1269 CD2 LEU A 84 -9.667 -3.012 -5.020 1.00 0.00 C ATOM 0 H LEU A 84 -9.820 -5.423 -8.139 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.377 -5.995 -5.614 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -11.360 -5.825 -5.835 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.317 -5.410 -4.490 1.00 0.00 H new ATOM 0 HG LEU A 84 -10.109 -3.751 -6.970 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -11.987 -2.336 -6.251 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.521 -3.976 -6.691 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -12.382 -3.515 -4.978 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.740 -1.965 -5.313 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -10.032 -3.130 -4.000 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.626 -3.332 -5.072 1.00 0.00 H new ATOM 1281 N SER A 85 -8.871 -8.255 -7.233 1.00 0.00 N ATOM 1282 CA SER A 85 -9.060 -9.687 -7.437 1.00 0.00 C ATOM 1283 C SER A 85 -7.732 -10.411 -7.322 1.00 0.00 C ATOM 1284 O SER A 85 -7.464 -11.387 -8.024 1.00 0.00 O ATOM 1285 CB SER A 85 -9.712 -9.966 -8.793 1.00 0.00 C ATOM 1286 OG SER A 85 -8.873 -9.551 -9.857 1.00 0.00 O ATOM 0 H SER A 85 -8.147 -7.838 -7.819 1.00 0.00 H new ATOM 0 HA SER A 85 -9.730 -10.059 -6.662 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.923 -11.031 -8.886 1.00 0.00 H new ATOM 0 HB3 SER A 85 -10.668 -9.445 -8.855 1.00 0.00 H new ATOM 0 HG SER A 85 -9.311 -9.742 -10.713 1.00 0.00 H new ATOM 1292 N SER A 86 -6.910 -9.884 -6.434 1.00 0.00 N ATOM 1293 CA SER A 86 -5.571 -10.406 -6.173 1.00 0.00 C ATOM 1294 C SER A 86 -4.669 -10.010 -7.320 1.00 0.00 C ATOM 1295 O SER A 86 -3.617 -10.605 -7.553 1.00 0.00 O ATOM 1296 CB SER A 86 -5.591 -11.928 -6.004 1.00 0.00 C ATOM 1297 OG SER A 86 -4.351 -12.403 -5.508 1.00 0.00 O ATOM 0 H SER A 86 -7.151 -9.073 -5.865 1.00 0.00 H new ATOM 0 HA SER A 86 -5.195 -9.984 -5.241 1.00 0.00 H new ATOM 0 HB2 SER A 86 -6.392 -12.211 -5.321 1.00 0.00 H new ATOM 0 HB3 SER A 86 -5.808 -12.401 -6.962 1.00 0.00 H new ATOM 0 HG SER A 86 -3.620 -12.033 -6.046 1.00 0.00 H new ATOM 1303 N ASP A 87 -5.133 -9.011 -8.052 1.00 0.00 N ATOM 1304 CA ASP A 87 -4.441 -8.505 -9.217 1.00 0.00 C ATOM 1305 C ASP A 87 -4.106 -7.026 -9.058 1.00 0.00 C ATOM 1306 O ASP A 87 -5.004 -6.189 -8.967 1.00 0.00 O ATOM 1307 CB ASP A 87 -5.357 -8.703 -10.412 1.00 0.00 C ATOM 1308 CG ASP A 87 -4.639 -8.553 -11.738 1.00 0.00 C ATOM 1309 OD1 ASP A 87 -3.631 -9.259 -11.951 1.00 0.00 O ATOM 1310 OD2 ASP A 87 -5.084 -7.729 -12.564 1.00 0.00 O ATOM 0 H ASP A 87 -6.008 -8.527 -7.850 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.501 -9.039 -9.351 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.806 -9.695 -10.358 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.172 -7.981 -10.362 1.00 0.00 H new ATOM 1315 N ILE A 88 -2.817 -6.706 -9.032 1.00 0.00 N ATOM 1316 CA ILE A 88 -2.388 -5.320 -8.891 1.00 0.00 C ATOM 1317 C ILE A 88 -2.248 -4.644 -10.244 1.00 0.00 C ATOM 1318 O ILE A 88 -2.003 -3.444 -10.314 1.00 0.00 O ATOM 1319 CB ILE A 88 -1.044 -5.203 -8.145 1.00 0.00 C ATOM 1320 CG1 ILE A 88 -0.190 -6.451 -8.370 1.00 0.00 C ATOM 1321 CG2 ILE A 88 -1.277 -4.966 -6.663 1.00 0.00 C ATOM 1322 CD1 ILE A 88 1.297 -6.191 -8.270 1.00 0.00 C ATOM 0 H ILE A 88 -2.056 -7.382 -9.106 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.163 -4.822 -8.308 1.00 0.00 H new ATOM 0 HB ILE A 88 -0.501 -4.347 -8.546 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.468 -7.209 -7.638 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.414 -6.862 -9.355 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.317 -4.886 -6.152 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.839 -4.042 -6.526 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.842 -5.800 -6.246 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.841 -7.120 -8.440 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.589 -5.456 -9.020 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.534 -5.809 -7.277 1.00 0.00 H new ATOM 1334 N THR A 89 -2.389 -5.417 -11.316 1.00 0.00 N ATOM 1335 CA THR A 89 -2.266 -4.879 -12.666 1.00 0.00 C ATOM 1336 C THR A 89 -3.055 -3.584 -12.826 1.00 0.00 C ATOM 1337 O THR A 89 -2.501 -2.557 -13.213 1.00 0.00 O ATOM 1338 CB THR A 89 -2.750 -5.893 -13.720 1.00 0.00 C ATOM 1339 OG1 THR A 89 -2.342 -7.215 -13.352 1.00 0.00 O ATOM 1340 CG2 THR A 89 -2.197 -5.551 -15.094 1.00 0.00 C ATOM 0 H THR A 89 -2.588 -6.417 -11.276 1.00 0.00 H new ATOM 0 HA THR A 89 -1.207 -4.673 -12.824 1.00 0.00 H new ATOM 0 HB THR A 89 -3.838 -5.848 -13.762 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.655 -7.854 -14.026 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.552 -6.281 -15.821 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.534 -4.556 -15.384 1.00 0.00 H new ATOM 0 HG23 THR A 89 -1.108 -5.571 -15.063 1.00 0.00 H new ATOM 1348 N ALA A 90 -4.353 -3.641 -12.544 1.00 0.00 N ATOM 1349 CA ALA A 90 -5.214 -2.482 -12.671 1.00 0.00 C ATOM 1350 C ALA A 90 -4.791 -1.344 -11.742 1.00 0.00 C ATOM 1351 O ALA A 90 -4.739 -0.183 -12.152 1.00 0.00 O ATOM 1352 CB ALA A 90 -6.661 -2.872 -12.411 1.00 0.00 C ATOM 0 H ALA A 90 -4.829 -4.485 -12.225 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.119 -2.114 -13.693 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.298 -1.993 -12.509 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -6.970 -3.627 -13.134 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.753 -3.276 -11.403 1.00 0.00 H new ATOM 1358 N SER A 91 -4.483 -1.681 -10.490 1.00 0.00 N ATOM 1359 CA SER A 91 -4.061 -0.683 -9.509 1.00 0.00 C ATOM 1360 C SER A 91 -2.747 -0.035 -9.912 1.00 0.00 C ATOM 1361 O SER A 91 -2.533 1.159 -9.687 1.00 0.00 O ATOM 1362 CB SER A 91 -3.921 -1.323 -8.127 1.00 0.00 C ATOM 1363 OG SER A 91 -4.122 -2.724 -8.190 1.00 0.00 O ATOM 0 H SER A 91 -4.518 -2.635 -10.132 1.00 0.00 H new ATOM 0 HA SER A 91 -4.827 0.091 -9.471 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.930 -1.113 -7.724 1.00 0.00 H new ATOM 0 HB3 SER A 91 -4.644 -0.879 -7.443 1.00 0.00 H new ATOM 0 HG SER A 91 -4.025 -3.109 -7.294 1.00 0.00 H new ATOM 1369 N VAL A 92 -1.867 -0.823 -10.510 1.00 0.00 N ATOM 1370 CA VAL A 92 -0.585 -0.300 -10.932 1.00 0.00 C ATOM 1371 C VAL A 92 -0.735 0.565 -12.160 1.00 0.00 C ATOM 1372 O VAL A 92 -0.279 1.694 -12.167 1.00 0.00 O ATOM 1373 CB VAL A 92 0.463 -1.388 -11.220 1.00 0.00 C ATOM 1374 CG1 VAL A 92 1.680 -0.764 -11.903 1.00 0.00 C ATOM 1375 CG2 VAL A 92 0.864 -2.099 -9.937 1.00 0.00 C ATOM 0 H VAL A 92 -2.017 -1.812 -10.710 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.224 0.289 -10.089 1.00 0.00 H new ATOM 0 HB VAL A 92 0.029 -2.131 -11.890 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.420 -1.538 -12.105 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.373 -0.301 -12.841 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.115 -0.007 -11.250 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.606 -2.865 -10.162 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.288 -1.378 -9.238 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.014 -2.565 -9.490 1.00 0.00 H new ATOM 1385 N ASN A 93 -1.380 0.041 -13.196 1.00 0.00 N ATOM 1386 CA ASN A 93 -1.580 0.792 -14.408 1.00 0.00 C ATOM 1387 C ASN A 93 -1.990 2.216 -14.076 1.00 0.00 C ATOM 1388 O ASN A 93 -1.501 3.181 -14.669 1.00 0.00 O ATOM 1389 CB ASN A 93 -2.621 0.107 -15.273 1.00 0.00 C ATOM 1390 CG ASN A 93 -3.800 0.999 -15.611 1.00 0.00 C ATOM 1391 OD1 ASN A 93 -4.795 1.032 -14.887 1.00 0.00 O ATOM 1392 ND2 ASN A 93 -3.694 1.729 -16.716 1.00 0.00 N ATOM 0 H ASN A 93 -1.770 -0.902 -13.211 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.646 0.833 -14.968 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.151 -0.229 -16.198 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.983 -0.783 -14.758 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.456 2.348 -16.993 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -2.851 1.671 -17.287 1.00 0.00 H new ATOM 1399 N CYS A 94 -2.876 2.332 -13.096 1.00 0.00 N ATOM 1400 CA CYS A 94 -3.344 3.629 -12.653 1.00 0.00 C ATOM 1401 C CYS A 94 -2.191 4.454 -12.101 1.00 0.00 C ATOM 1402 O CYS A 94 -2.017 5.613 -12.473 1.00 0.00 O ATOM 1403 CB CYS A 94 -4.429 3.477 -11.591 1.00 0.00 C ATOM 1404 SG CYS A 94 -5.546 4.908 -11.491 1.00 0.00 S ATOM 0 H CYS A 94 -3.282 1.541 -12.596 1.00 0.00 H new ATOM 0 HA CYS A 94 -3.767 4.147 -13.514 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -5.014 2.583 -11.805 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -3.958 3.324 -10.620 1.00 0.00 H new ATOM 1409 N ALA A 95 -1.404 3.855 -11.206 1.00 0.00 N ATOM 1410 CA ALA A 95 -0.278 4.565 -10.613 1.00 0.00 C ATOM 1411 C ALA A 95 0.834 4.775 -11.628 1.00 0.00 C ATOM 1412 O ALA A 95 1.469 5.820 -11.638 1.00 0.00 O ATOM 1413 CB ALA A 95 0.246 3.853 -9.390 1.00 0.00 C ATOM 0 H ALA A 95 -1.525 2.895 -10.882 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.643 5.543 -10.298 1.00 0.00 H new ATOM 0 HB1 ALA A 95 1.085 4.412 -8.975 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.546 3.780 -8.644 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.578 2.852 -9.666 1.00 0.00 H new ATOM 1419 N LYS A 96 1.051 3.794 -12.499 1.00 0.00 N ATOM 1420 CA LYS A 96 2.065 3.922 -13.530 1.00 0.00 C ATOM 1421 C LYS A 96 1.843 5.267 -14.208 1.00 0.00 C ATOM 1422 O LYS A 96 2.775 5.988 -14.571 1.00 0.00 O ATOM 1423 CB LYS A 96 1.945 2.787 -14.549 1.00 0.00 C ATOM 1424 CG LYS A 96 3.120 1.823 -14.528 1.00 0.00 C ATOM 1425 CD LYS A 96 2.918 0.677 -15.506 1.00 0.00 C ATOM 1426 CE LYS A 96 3.573 0.968 -16.847 1.00 0.00 C ATOM 1427 NZ LYS A 96 3.294 -0.100 -17.846 1.00 0.00 N ATOM 0 H LYS A 96 0.541 2.911 -12.509 1.00 0.00 H new ATOM 0 HA LYS A 96 3.063 3.864 -13.096 1.00 0.00 H new ATOM 0 HB2 LYS A 96 1.027 2.232 -14.356 1.00 0.00 H new ATOM 0 HB3 LYS A 96 1.855 3.215 -15.548 1.00 0.00 H new ATOM 0 HG2 LYS A 96 4.036 2.359 -14.778 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.248 1.425 -13.521 1.00 0.00 H new ATOM 0 HD2 LYS A 96 3.335 -0.238 -15.087 1.00 0.00 H new ATOM 0 HD3 LYS A 96 1.852 0.504 -15.650 1.00 0.00 H new ATOM 0 HE2 LYS A 96 3.212 1.924 -17.227 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.650 1.065 -16.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 3.758 0.137 -18.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 3.661 -1.008 -17.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 2.268 -0.176 -17.995 1.00 0.00 H new ATOM 1441 N LYS A 97 0.558 5.596 -14.305 1.00 0.00 N ATOM 1442 CA LYS A 97 0.114 6.858 -14.873 1.00 0.00 C ATOM 1443 C LYS A 97 0.221 7.962 -13.828 1.00 0.00 C ATOM 1444 O LYS A 97 0.557 9.102 -14.148 1.00 0.00 O ATOM 1445 CB LYS A 97 -1.327 6.743 -15.377 1.00 0.00 C ATOM 1446 CG LYS A 97 -1.452 6.840 -16.889 1.00 0.00 C ATOM 1447 CD LYS A 97 -2.901 6.994 -17.319 1.00 0.00 C ATOM 1448 CE LYS A 97 -3.243 8.447 -17.609 1.00 0.00 C ATOM 1449 NZ LYS A 97 -4.577 8.823 -17.064 1.00 0.00 N ATOM 0 H LYS A 97 -0.202 4.993 -13.991 1.00 0.00 H new ATOM 0 HA LYS A 97 0.755 7.106 -15.719 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.744 5.792 -15.047 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.927 7.530 -14.920 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.872 7.690 -17.249 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.028 5.947 -17.348 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.084 6.391 -18.209 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.557 6.614 -16.536 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.479 9.093 -17.177 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.230 8.615 -18.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.773 9.821 -17.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -5.310 8.224 -17.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -4.582 8.687 -16.033 1.00 0.00 H new ATOM 1463 N ILE A 98 -0.053 7.610 -12.571 1.00 0.00 N ATOM 1464 CA ILE A 98 0.027 8.570 -11.480 1.00 0.00 C ATOM 1465 C ILE A 98 1.443 9.133 -11.361 1.00 0.00 C ATOM 1466 O ILE A 98 1.640 10.346 -11.299 1.00 0.00 O ATOM 1467 CB ILE A 98 -0.402 7.955 -10.132 1.00 0.00 C ATOM 1468 CG1 ILE A 98 -1.893 7.593 -10.168 1.00 0.00 C ATOM 1469 CG2 ILE A 98 -0.123 8.926 -8.993 1.00 0.00 C ATOM 1470 CD1 ILE A 98 -2.344 6.761 -8.987 1.00 0.00 C ATOM 0 H ILE A 98 -0.331 6.670 -12.288 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.667 9.377 -11.716 1.00 0.00 H new ATOM 0 HB ILE A 98 0.177 7.047 -9.963 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.480 8.511 -10.200 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.104 7.047 -11.088 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.431 8.477 -8.049 1.00 0.00 H new ATOM 0 HG22 ILE A 98 0.943 9.149 -8.958 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -0.681 9.848 -9.156 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -3.408 6.544 -9.080 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.783 5.827 -8.965 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.166 7.313 -8.064 1.00 0.00 H new ATOM 1482 N VAL A 99 2.421 8.234 -11.333 1.00 0.00 N ATOM 1483 CA VAL A 99 3.823 8.617 -11.223 1.00 0.00 C ATOM 1484 C VAL A 99 4.341 9.199 -12.534 1.00 0.00 C ATOM 1485 O VAL A 99 5.282 9.993 -12.537 1.00 0.00 O ATOM 1486 CB VAL A 99 4.701 7.427 -10.794 1.00 0.00 C ATOM 1487 CG1 VAL A 99 5.076 6.561 -11.988 1.00 0.00 C ATOM 1488 CG2 VAL A 99 5.944 7.919 -10.068 1.00 0.00 C ATOM 0 H VAL A 99 2.266 7.227 -11.385 1.00 0.00 H new ATOM 0 HA VAL A 99 3.884 9.385 -10.452 1.00 0.00 H new ATOM 0 HB VAL A 99 4.123 6.809 -10.107 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.696 5.729 -11.654 1.00 0.00 H new ATOM 0 HG12 VAL A 99 4.171 6.174 -12.455 1.00 0.00 H new ATOM 0 HG13 VAL A 99 5.631 7.159 -12.711 1.00 0.00 H new ATOM 0 HG21 VAL A 99 6.554 7.066 -9.771 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.521 8.564 -10.730 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.649 8.480 -9.181 1.00 0.00 H new ATOM 1498 N SER A 100 3.711 8.822 -13.647 1.00 0.00 N ATOM 1499 CA SER A 100 4.107 9.340 -14.950 1.00 0.00 C ATOM 1500 C SER A 100 3.452 10.696 -15.188 1.00 0.00 C ATOM 1501 O SER A 100 3.758 11.390 -16.158 1.00 0.00 O ATOM 1502 CB SER A 100 3.715 8.365 -16.060 1.00 0.00 C ATOM 1503 OG SER A 100 4.205 8.798 -17.318 1.00 0.00 O ATOM 0 H SER A 100 2.931 8.165 -13.670 1.00 0.00 H new ATOM 0 HA SER A 100 5.191 9.458 -14.964 1.00 0.00 H new ATOM 0 HB2 SER A 100 4.110 7.374 -15.834 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.630 8.274 -16.101 1.00 0.00 H new ATOM 0 HG SER A 100 4.291 9.774 -17.317 1.00 0.00 H new ATOM 1509 N ASP A 101 2.547 11.060 -14.283 1.00 0.00 N ATOM 1510 CA ASP A 101 1.834 12.330 -14.372 1.00 0.00 C ATOM 1511 C ASP A 101 2.498 13.395 -13.503 1.00 0.00 C ATOM 1512 O ASP A 101 2.084 14.555 -13.505 1.00 0.00 O ATOM 1513 CB ASP A 101 0.375 12.151 -13.951 1.00 0.00 C ATOM 1514 CG ASP A 101 -0.568 13.035 -14.744 1.00 0.00 C ATOM 1515 OD1 ASP A 101 -0.508 14.270 -14.575 1.00 0.00 O ATOM 1516 OD2 ASP A 101 -1.368 12.491 -15.535 1.00 0.00 O ATOM 0 H ASP A 101 2.290 10.490 -13.477 1.00 0.00 H new ATOM 0 HA ASP A 101 1.869 12.662 -15.410 1.00 0.00 H new ATOM 0 HB2 ASP A 101 0.087 11.108 -14.082 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.275 12.378 -12.890 1.00 0.00 H new ATOM 1521 N GLY A 102 3.530 12.998 -12.763 1.00 0.00 N ATOM 1522 CA GLY A 102 4.230 13.938 -11.905 1.00 0.00 C ATOM 1523 C GLY A 102 4.447 13.408 -10.499 1.00 0.00 C ATOM 1524 O GLY A 102 5.568 13.420 -9.992 1.00 0.00 O ATOM 0 H GLY A 102 3.893 12.045 -12.742 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.196 14.178 -12.350 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.662 14.867 -11.854 1.00 0.00 H new ATOM 1528 N ASN A 103 3.369 12.948 -9.868 1.00 0.00 N ATOM 1529 CA ASN A 103 3.442 12.416 -8.509 1.00 0.00 C ATOM 1530 C ASN A 103 4.437 11.261 -8.423 1.00 0.00 C ATOM 1531 O ASN A 103 4.101 10.116 -8.713 1.00 0.00 O ATOM 1532 CB ASN A 103 2.061 11.948 -8.054 1.00 0.00 C ATOM 1533 CG ASN A 103 1.044 13.072 -8.045 1.00 0.00 C ATOM 1534 OD1 ASN A 103 1.133 14.000 -7.241 1.00 0.00 O ATOM 1535 ND2 ASN A 103 0.068 12.995 -8.943 1.00 0.00 N ATOM 0 H ASN A 103 2.434 12.933 -10.276 1.00 0.00 H new ATOM 0 HA ASN A 103 3.787 13.214 -7.851 1.00 0.00 H new ATOM 0 HB2 ASN A 103 1.714 11.153 -8.714 1.00 0.00 H new ATOM 0 HB3 ASN A 103 2.136 11.522 -7.054 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -0.645 13.723 -8.985 1.00 0.00 H new ATOM 0 HD22 ASN A 103 0.032 12.208 -9.591 1.00 0.00 H new ATOM 1542 N GLY A 104 5.664 11.576 -8.022 1.00 0.00 N ATOM 1543 CA GLY A 104 6.694 10.558 -7.909 1.00 0.00 C ATOM 1544 C GLY A 104 6.861 10.025 -6.499 1.00 0.00 C ATOM 1545 O GLY A 104 7.894 10.254 -5.869 1.00 0.00 O ATOM 0 H GLY A 104 5.964 12.518 -7.773 1.00 0.00 H new ATOM 0 HA2 GLY A 104 6.452 9.731 -8.576 1.00 0.00 H new ATOM 0 HA3 GLY A 104 7.643 10.973 -8.248 1.00 0.00 H new ATOM 1549 N MET A 105 5.829 9.331 -6.003 1.00 0.00 N ATOM 1550 CA MET A 105 5.823 8.759 -4.655 1.00 0.00 C ATOM 1551 C MET A 105 5.308 9.781 -3.659 1.00 0.00 C ATOM 1552 O MET A 105 5.311 9.549 -2.451 1.00 0.00 O ATOM 1553 CB MET A 105 7.215 8.263 -4.237 1.00 0.00 C ATOM 1554 CG MET A 105 7.870 7.327 -5.243 1.00 0.00 C ATOM 1555 SD MET A 105 6.677 6.324 -6.149 1.00 0.00 S ATOM 1556 CE MET A 105 5.999 5.333 -4.822 1.00 0.00 C ATOM 0 H MET A 105 4.973 9.151 -6.528 1.00 0.00 H new ATOM 0 HA MET A 105 5.158 7.896 -4.664 1.00 0.00 H new ATOM 0 HB2 MET A 105 7.864 9.125 -4.082 1.00 0.00 H new ATOM 0 HB3 MET A 105 7.133 7.749 -3.279 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.455 7.914 -5.951 1.00 0.00 H new ATOM 0 HG3 MET A 105 8.567 6.671 -4.721 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.034 4.280 -5.100 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.585 5.488 -3.916 1.00 0.00 H new ATOM 0 HE3 MET A 105 4.965 5.627 -4.640 1.00 0.00 H new ATOM 1566 N ASN A 106 4.870 10.920 -4.180 1.00 0.00 N ATOM 1567 CA ASN A 106 4.351 11.999 -3.359 1.00 0.00 C ATOM 1568 C ASN A 106 2.833 11.913 -3.213 1.00 0.00 C ATOM 1569 O ASN A 106 2.278 12.289 -2.181 1.00 0.00 O ATOM 1570 CB ASN A 106 4.737 13.336 -3.981 1.00 0.00 C ATOM 1571 CG ASN A 106 6.055 13.866 -3.450 1.00 0.00 C ATOM 1572 OD1 ASN A 106 6.128 14.375 -2.332 1.00 0.00 O ATOM 1573 ND2 ASN A 106 7.106 13.750 -4.253 1.00 0.00 N ATOM 0 H ASN A 106 4.866 11.119 -5.180 1.00 0.00 H new ATOM 0 HA ASN A 106 4.785 11.911 -2.363 1.00 0.00 H new ATOM 0 HB2 ASN A 106 4.804 13.223 -5.063 1.00 0.00 H new ATOM 0 HB3 ASN A 106 3.951 14.065 -3.784 1.00 0.00 H new ATOM 0 HD21 ASN A 106 8.019 14.090 -3.950 1.00 0.00 H new ATOM 0 HD22 ASN A 106 7.000 13.321 -5.172 1.00 0.00 H new ATOM 1580 N ALA A 107 2.166 11.417 -4.253 1.00 0.00 N ATOM 1581 CA ALA A 107 0.712 11.284 -4.238 1.00 0.00 C ATOM 1582 C ALA A 107 0.259 10.349 -3.123 1.00 0.00 C ATOM 1583 O ALA A 107 -0.934 10.236 -2.837 1.00 0.00 O ATOM 1584 CB ALA A 107 0.211 10.776 -5.581 1.00 0.00 C ATOM 0 H ALA A 107 2.609 11.101 -5.116 1.00 0.00 H new ATOM 0 HA ALA A 107 0.287 12.270 -4.052 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -0.875 10.683 -5.553 1.00 0.00 H new ATOM 0 HB2 ALA A 107 0.494 11.479 -6.365 1.00 0.00 H new ATOM 0 HB3 ALA A 107 0.654 9.802 -5.790 1.00 0.00 H new ATOM 1590 N TRP A 108 1.221 9.681 -2.502 1.00 0.00 N ATOM 1591 CA TRP A 108 0.931 8.753 -1.420 1.00 0.00 C ATOM 1592 C TRP A 108 1.523 9.259 -0.105 1.00 0.00 C ATOM 1593 O TRP A 108 2.731 9.463 0.013 1.00 0.00 O ATOM 1594 CB TRP A 108 1.466 7.366 -1.778 1.00 0.00 C ATOM 1595 CG TRP A 108 0.913 6.858 -3.079 1.00 0.00 C ATOM 1596 CD1 TRP A 108 -0.260 6.182 -3.263 1.00 0.00 C ATOM 1597 CD2 TRP A 108 1.500 6.998 -4.380 1.00 0.00 C ATOM 1598 NE1 TRP A 108 -0.434 5.887 -4.594 1.00 0.00 N ATOM 1599 CE2 TRP A 108 0.632 6.377 -5.301 1.00 0.00 C ATOM 1600 CE3 TRP A 108 2.675 7.586 -4.855 1.00 0.00 C ATOM 1601 CZ2 TRP A 108 0.905 6.330 -6.669 1.00 0.00 C ATOM 1602 CZ3 TRP A 108 2.944 7.537 -6.211 1.00 0.00 C ATOM 1603 CH2 TRP A 108 2.062 6.915 -7.103 1.00 0.00 C ATOM 0 H TRP A 108 2.212 9.765 -2.730 1.00 0.00 H new ATOM 0 HA TRP A 108 -0.148 8.682 -1.285 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.554 7.403 -1.838 1.00 0.00 H new ATOM 0 HB3 TRP A 108 1.215 6.666 -0.981 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -0.951 5.918 -2.476 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -1.228 5.385 -4.991 1.00 0.00 H new ATOM 0 HE3 TRP A 108 3.361 8.070 -4.176 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 0.227 5.849 -7.359 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 3.851 7.987 -6.588 1.00 0.00 H new ATOM 0 HH2 TRP A 108 2.301 6.897 -8.156 1.00 0.00 H new ATOM 1614 N VAL A 109 0.646 9.490 0.868 1.00 0.00 N ATOM 1615 CA VAL A 109 1.043 10.011 2.175 1.00 0.00 C ATOM 1616 C VAL A 109 1.754 8.981 3.043 1.00 0.00 C ATOM 1617 O VAL A 109 2.529 9.344 3.928 1.00 0.00 O ATOM 1618 CB VAL A 109 -0.160 10.532 2.956 1.00 0.00 C ATOM 1619 CG1 VAL A 109 0.193 11.811 3.698 1.00 0.00 C ATOM 1620 CG2 VAL A 109 -1.364 10.742 2.049 1.00 0.00 C ATOM 0 H VAL A 109 -0.356 9.323 0.775 1.00 0.00 H new ATOM 0 HA VAL A 109 1.738 10.821 1.955 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.432 9.775 3.691 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.679 12.165 4.248 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.007 11.614 4.396 1.00 0.00 H new ATOM 0 HG13 VAL A 109 0.505 12.572 2.983 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -2.203 11.113 2.638 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -1.114 11.468 1.275 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.638 9.795 1.584 1.00 0.00 H new ATOM 1630 N ALA A 110 1.502 7.704 2.798 1.00 0.00 N ATOM 1631 CA ALA A 110 2.140 6.649 3.578 1.00 0.00 C ATOM 1632 C ALA A 110 3.634 6.605 3.302 1.00 0.00 C ATOM 1633 O ALA A 110 4.414 6.106 4.115 1.00 0.00 O ATOM 1634 CB ALA A 110 1.500 5.303 3.279 1.00 0.00 C ATOM 0 H ALA A 110 0.866 7.373 2.072 1.00 0.00 H new ATOM 0 HA ALA A 110 1.996 6.871 4.635 1.00 0.00 H new ATOM 0 HB1 ALA A 110 1.989 4.528 3.870 1.00 0.00 H new ATOM 0 HB2 ALA A 110 0.441 5.339 3.533 1.00 0.00 H new ATOM 0 HB3 ALA A 110 1.611 5.075 2.219 1.00 0.00 H new ATOM 1640 N TRP A 111 4.026 7.145 2.157 1.00 0.00 N ATOM 1641 CA TRP A 111 5.430 7.182 1.782 1.00 0.00 C ATOM 1642 C TRP A 111 6.098 8.422 2.366 1.00 0.00 C ATOM 1643 O TRP A 111 7.247 8.371 2.800 1.00 0.00 O ATOM 1644 CB TRP A 111 5.589 7.145 0.258 1.00 0.00 C ATOM 1645 CG TRP A 111 7.014 7.231 -0.199 1.00 0.00 C ATOM 1646 CD1 TRP A 111 7.851 6.187 -0.472 1.00 0.00 C ATOM 1647 CD2 TRP A 111 7.771 8.424 -0.440 1.00 0.00 C ATOM 1648 NE1 TRP A 111 9.080 6.657 -0.866 1.00 0.00 N ATOM 1649 CE2 TRP A 111 9.056 8.027 -0.855 1.00 0.00 C ATOM 1650 CE3 TRP A 111 7.486 9.789 -0.345 1.00 0.00 C ATOM 1651 CZ2 TRP A 111 10.054 8.945 -1.173 1.00 0.00 C ATOM 1652 CZ3 TRP A 111 8.477 10.700 -0.662 1.00 0.00 C ATOM 1653 CH2 TRP A 111 9.747 10.274 -1.072 1.00 0.00 C ATOM 0 H TRP A 111 3.393 7.562 1.474 1.00 0.00 H new ATOM 0 HA TRP A 111 5.920 6.299 2.191 1.00 0.00 H new ATOM 0 HB2 TRP A 111 5.149 6.223 -0.123 1.00 0.00 H new ATOM 0 HB3 TRP A 111 5.026 7.970 -0.178 1.00 0.00 H new ATOM 0 HD1 TRP A 111 7.585 5.143 -0.390 1.00 0.00 H new ATOM 0 HE1 TRP A 111 9.880 6.080 -1.125 1.00 0.00 H new ATOM 0 HE3 TRP A 111 6.510 10.126 -0.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 11.034 8.619 -1.488 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 8.268 11.757 -0.592 1.00 0.00 H new ATOM 0 HH2 TRP A 111 10.499 11.010 -1.313 1.00 0.00 H new ATOM 1664 N ARG A 112 5.368 9.538 2.399 1.00 0.00 N ATOM 1665 CA ARG A 112 5.889 10.779 2.958 1.00 0.00 C ATOM 1666 C ARG A 112 5.508 10.913 4.429 1.00 0.00 C ATOM 1667 O ARG A 112 5.080 11.978 4.875 1.00 0.00 O ATOM 1668 CB ARG A 112 5.341 11.967 2.187 1.00 0.00 C ATOM 1669 CG ARG A 112 6.374 12.669 1.321 1.00 0.00 C ATOM 1670 CD ARG A 112 5.917 14.064 0.927 1.00 0.00 C ATOM 1671 NE ARG A 112 6.396 15.081 1.861 1.00 0.00 N ATOM 1672 CZ ARG A 112 5.900 16.312 1.929 1.00 0.00 C ATOM 1673 NH1 ARG A 112 4.915 16.680 1.120 1.00 0.00 N ATOM 1674 NH2 ARG A 112 6.389 17.178 2.806 1.00 0.00 N ATOM 0 H ARG A 112 4.414 9.604 2.044 1.00 0.00 H new ATOM 0 HA ARG A 112 6.976 10.758 2.876 1.00 0.00 H new ATOM 0 HB2 ARG A 112 4.520 11.630 1.554 1.00 0.00 H new ATOM 0 HB3 ARG A 112 4.925 12.685 2.893 1.00 0.00 H new ATOM 0 HG2 ARG A 112 7.319 12.734 1.861 1.00 0.00 H new ATOM 0 HG3 ARG A 112 6.559 12.079 0.423 1.00 0.00 H new ATOM 0 HD2 ARG A 112 6.278 14.294 -0.076 1.00 0.00 H new ATOM 0 HD3 ARG A 112 4.828 14.091 0.888 1.00 0.00 H new ATOM 0 HE ARG A 112 7.154 14.832 2.497 1.00 0.00 H new ATOM 0 HH11 ARG A 112 4.536 16.017 0.443 1.00 0.00 H new ATOM 0 HH12 ARG A 112 4.536 17.626 1.175 1.00 0.00 H new ATOM 0 HH21 ARG A 112 7.147 16.900 3.429 1.00 0.00 H new ATOM 0 HH22 ARG A 112 6.007 18.123 2.857 1.00 0.00 H new ATOM 1688 N ASN A 113 5.668 9.835 5.174 1.00 0.00 N ATOM 1689 CA ASN A 113 5.340 9.842 6.596 1.00 0.00 C ATOM 1690 C ASN A 113 6.140 8.792 7.354 1.00 0.00 C ATOM 1691 O ASN A 113 6.947 9.118 8.224 1.00 0.00 O ATOM 1692 CB ASN A 113 3.844 9.599 6.794 1.00 0.00 C ATOM 1693 CG ASN A 113 3.260 10.456 7.900 1.00 0.00 C ATOM 1694 OD1 ASN A 113 3.506 11.661 7.962 1.00 0.00 O ATOM 1695 ND2 ASN A 113 2.483 9.837 8.781 1.00 0.00 N ATOM 0 H ASN A 113 6.021 8.944 4.824 1.00 0.00 H new ATOM 0 HA ASN A 113 5.602 10.822 6.994 1.00 0.00 H new ATOM 0 HB2 ASN A 113 3.319 9.806 5.862 1.00 0.00 H new ATOM 0 HB3 ASN A 113 3.677 8.547 7.027 1.00 0.00 H new ATOM 0 HD21 ASN A 113 2.063 10.362 9.548 1.00 0.00 H new ATOM 0 HD22 ASN A 113 2.306 8.836 8.691 1.00 0.00 H new ATOM 1702 N ARG A 114 5.901 7.534 7.021 1.00 0.00 N ATOM 1703 CA ARG A 114 6.587 6.428 7.671 1.00 0.00 C ATOM 1704 C ARG A 114 7.750 5.923 6.827 1.00 0.00 C ATOM 1705 O ARG A 114 8.478 5.019 7.237 1.00 0.00 O ATOM 1706 CB ARG A 114 5.605 5.290 7.930 1.00 0.00 C ATOM 1707 CG ARG A 114 4.924 5.366 9.286 1.00 0.00 C ATOM 1708 CD ARG A 114 5.788 4.760 10.379 1.00 0.00 C ATOM 1709 NE ARG A 114 6.171 5.747 11.384 1.00 0.00 N ATOM 1710 CZ ARG A 114 6.996 5.489 12.395 1.00 0.00 C ATOM 1711 NH1 ARG A 114 7.524 4.279 12.533 1.00 0.00 N ATOM 1712 NH2 ARG A 114 7.295 6.440 13.268 1.00 0.00 N ATOM 0 H ARG A 114 5.235 7.252 6.302 1.00 0.00 H new ATOM 0 HA ARG A 114 6.988 6.790 8.618 1.00 0.00 H new ATOM 0 HB2 ARG A 114 4.843 5.295 7.150 1.00 0.00 H new ATOM 0 HB3 ARG A 114 6.135 4.340 7.852 1.00 0.00 H new ATOM 0 HG2 ARG A 114 4.707 6.407 9.527 1.00 0.00 H new ATOM 0 HG3 ARG A 114 3.969 4.843 9.244 1.00 0.00 H new ATOM 0 HD2 ARG A 114 5.246 3.945 10.859 1.00 0.00 H new ATOM 0 HD3 ARG A 114 6.685 4.328 9.935 1.00 0.00 H new ATOM 0 HE ARG A 114 5.784 6.688 11.307 1.00 0.00 H new ATOM 0 HH11 ARG A 114 7.297 3.544 11.863 1.00 0.00 H new ATOM 0 HH12 ARG A 114 8.156 4.084 13.309 1.00 0.00 H new ATOM 0 HH21 ARG A 114 6.892 7.372 13.165 1.00 0.00 H new ATOM 0 HH22 ARG A 114 7.928 6.240 14.043 1.00 0.00 H new ATOM 1726 N CYS A 115 7.912 6.496 5.641 1.00 0.00 N ATOM 1727 CA CYS A 115 8.980 6.080 4.742 1.00 0.00 C ATOM 1728 C CYS A 115 10.029 7.170 4.553 1.00 0.00 C ATOM 1729 O CYS A 115 11.227 6.896 4.594 1.00 0.00 O ATOM 1730 CB CYS A 115 8.406 5.686 3.387 1.00 0.00 C ATOM 1731 SG CYS A 115 9.614 4.883 2.293 1.00 0.00 S ATOM 0 H CYS A 115 7.321 7.246 5.281 1.00 0.00 H new ATOM 0 HA CYS A 115 9.469 5.221 5.201 1.00 0.00 H new ATOM 0 HB2 CYS A 115 7.563 5.012 3.541 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.017 6.577 2.894 1.00 0.00 H new ATOM 1736 N LYS A 116 9.577 8.399 4.331 1.00 0.00 N ATOM 1737 CA LYS A 116 10.487 9.519 4.120 1.00 0.00 C ATOM 1738 C LYS A 116 11.476 9.654 5.273 1.00 0.00 C ATOM 1739 O LYS A 116 11.180 10.290 6.286 1.00 0.00 O ATOM 1740 CB LYS A 116 9.698 10.819 3.955 1.00 0.00 C ATOM 1741 CG LYS A 116 10.451 11.895 3.190 1.00 0.00 C ATOM 1742 CD LYS A 116 10.451 13.216 3.940 1.00 0.00 C ATOM 1743 CE LYS A 116 10.198 14.388 3.005 1.00 0.00 C ATOM 1744 NZ LYS A 116 11.344 14.621 2.085 1.00 0.00 N ATOM 0 H LYS A 116 8.588 8.645 4.292 1.00 0.00 H new ATOM 0 HA LYS A 116 11.052 9.323 3.209 1.00 0.00 H new ATOM 0 HB2 LYS A 116 8.763 10.604 3.437 1.00 0.00 H new ATOM 0 HB3 LYS A 116 9.435 11.202 4.941 1.00 0.00 H new ATOM 0 HG2 LYS A 116 11.478 11.571 3.021 1.00 0.00 H new ATOM 0 HG3 LYS A 116 9.995 12.032 2.210 1.00 0.00 H new ATOM 0 HD2 LYS A 116 9.685 13.196 4.715 1.00 0.00 H new ATOM 0 HD3 LYS A 116 11.409 13.350 4.442 1.00 0.00 H new ATOM 0 HE2 LYS A 116 9.297 14.199 2.422 1.00 0.00 H new ATOM 0 HE3 LYS A 116 10.015 15.288 3.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 11.132 15.428 1.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 12.199 14.826 2.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 11.503 13.772 1.506 1.00 0.00 H new ATOM 1758 N GLY A 117 12.655 9.058 5.110 1.00 0.00 N ATOM 1759 CA GLY A 117 13.668 9.134 6.145 1.00 0.00 C ATOM 1760 C GLY A 117 14.224 7.776 6.534 1.00 0.00 C ATOM 1761 O GLY A 117 15.009 7.674 7.477 1.00 0.00 O ATOM 0 H GLY A 117 12.925 8.526 4.282 1.00 0.00 H new ATOM 0 HA2 GLY A 117 14.484 9.769 5.801 1.00 0.00 H new ATOM 0 HA3 GLY A 117 13.243 9.612 7.027 1.00 0.00 H new ATOM 1765 N THR A 118 13.824 6.730 5.815 1.00 0.00 N ATOM 1766 CA THR A 118 14.297 5.380 6.105 1.00 0.00 C ATOM 1767 C THR A 118 15.110 4.823 4.938 1.00 0.00 C ATOM 1768 O THR A 118 15.724 5.579 4.185 1.00 0.00 O ATOM 1769 CB THR A 118 13.122 4.430 6.405 1.00 0.00 C ATOM 1770 OG1 THR A 118 12.252 4.350 5.270 1.00 0.00 O ATOM 1771 CG2 THR A 118 12.337 4.905 7.619 1.00 0.00 C ATOM 0 H THR A 118 13.176 6.791 5.030 1.00 0.00 H new ATOM 0 HA THR A 118 14.934 5.445 6.987 1.00 0.00 H new ATOM 0 HB THR A 118 13.530 3.442 6.619 1.00 0.00 H new ATOM 0 HG1 THR A 118 11.909 5.243 5.057 1.00 0.00 H new ATOM 0 HG21 THR A 118 11.513 4.218 7.811 1.00 0.00 H new ATOM 0 HG22 THR A 118 12.994 4.935 8.488 1.00 0.00 H new ATOM 0 HG23 THR A 118 11.941 5.903 7.429 1.00 0.00 H new ATOM 1779 N ASP A 119 15.115 3.498 4.793 1.00 0.00 N ATOM 1780 CA ASP A 119 15.858 2.854 3.716 1.00 0.00 C ATOM 1781 C ASP A 119 15.011 1.819 2.985 1.00 0.00 C ATOM 1782 O ASP A 119 14.776 0.720 3.489 1.00 0.00 O ATOM 1783 CB ASP A 119 17.109 2.204 4.256 1.00 0.00 C ATOM 1784 CG ASP A 119 18.235 2.175 3.242 1.00 0.00 C ATOM 1785 OD1 ASP A 119 18.868 3.230 3.027 1.00 0.00 O ATOM 1786 OD2 ASP A 119 18.484 1.096 2.662 1.00 0.00 O ATOM 0 H ASP A 119 14.615 2.854 5.406 1.00 0.00 H new ATOM 0 HA ASP A 119 16.132 3.629 3.001 1.00 0.00 H new ATOM 0 HB2 ASP A 119 17.439 2.742 5.145 1.00 0.00 H new ATOM 0 HB3 ASP A 119 16.879 1.185 4.567 1.00 0.00 H new ATOM 1791 N VAL A 120 14.560 2.181 1.789 1.00 0.00 N ATOM 1792 CA VAL A 120 13.742 1.298 0.970 1.00 0.00 C ATOM 1793 C VAL A 120 14.595 0.213 0.331 1.00 0.00 C ATOM 1794 O VAL A 120 14.133 -0.907 0.113 1.00 0.00 O ATOM 1795 CB VAL A 120 13.005 2.082 -0.134 1.00 0.00 C ATOM 1796 CG1 VAL A 120 12.119 3.157 0.476 1.00 0.00 C ATOM 1797 CG2 VAL A 120 13.997 2.695 -1.113 1.00 0.00 C ATOM 0 H VAL A 120 14.750 3.088 1.363 1.00 0.00 H new ATOM 0 HA VAL A 120 13.004 0.838 1.627 1.00 0.00 H new ATOM 0 HB VAL A 120 12.371 1.386 -0.683 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.607 3.700 -0.318 1.00 0.00 H new ATOM 0 HG12 VAL A 120 11.382 2.693 1.132 1.00 0.00 H new ATOM 0 HG13 VAL A 120 12.732 3.850 1.052 1.00 0.00 H new ATOM 0 HG21 VAL A 120 13.456 3.244 -1.884 1.00 0.00 H new ATOM 0 HG22 VAL A 120 14.660 3.377 -0.580 1.00 0.00 H new ATOM 0 HG23 VAL A 120 14.586 1.904 -1.577 1.00 0.00 H new ATOM 1807 N GLN A 121 15.851 0.548 0.043 1.00 0.00 N ATOM 1808 CA GLN A 121 16.772 -0.407 -0.554 1.00 0.00 C ATOM 1809 C GLN A 121 16.916 -1.613 0.362 1.00 0.00 C ATOM 1810 O GLN A 121 17.241 -2.715 -0.081 1.00 0.00 O ATOM 1811 CB GLN A 121 18.139 0.240 -0.792 1.00 0.00 C ATOM 1812 CG GLN A 121 18.865 -0.302 -2.011 1.00 0.00 C ATOM 1813 CD GLN A 121 19.068 0.749 -3.085 1.00 0.00 C ATOM 1814 OE1 GLN A 121 19.316 1.917 -2.787 1.00 0.00 O ATOM 1815 NE2 GLN A 121 18.961 0.338 -4.343 1.00 0.00 N ATOM 0 H GLN A 121 16.250 1.471 0.214 1.00 0.00 H new ATOM 0 HA GLN A 121 16.374 -0.728 -1.516 1.00 0.00 H new ATOM 0 HB2 GLN A 121 18.007 1.316 -0.907 1.00 0.00 H new ATOM 0 HB3 GLN A 121 18.762 0.087 0.089 1.00 0.00 H new ATOM 0 HG2 GLN A 121 19.834 -0.696 -1.706 1.00 0.00 H new ATOM 0 HG3 GLN A 121 18.298 -1.135 -2.426 1.00 0.00 H new ATOM 0 HE21 GLN A 121 18.754 -0.640 -4.544 1.00 0.00 H new ATOM 0 HE22 GLN A 121 19.086 1.001 -5.108 1.00 0.00 H new ATOM 1824 N ALA A 122 16.649 -1.389 1.645 1.00 0.00 N ATOM 1825 CA ALA A 122 16.723 -2.443 2.642 1.00 0.00 C ATOM 1826 C ALA A 122 15.377 -3.141 2.782 1.00 0.00 C ATOM 1827 O ALA A 122 15.303 -4.279 3.246 1.00 0.00 O ATOM 1828 CB ALA A 122 17.171 -1.875 3.981 1.00 0.00 C ATOM 0 H ALA A 122 16.378 -0.479 2.017 1.00 0.00 H new ATOM 0 HA ALA A 122 17.458 -3.178 2.314 1.00 0.00 H new ATOM 0 HB1 ALA A 122 17.222 -2.677 4.718 1.00 0.00 H new ATOM 0 HB2 ALA A 122 18.155 -1.420 3.872 1.00 0.00 H new ATOM 0 HB3 ALA A 122 16.457 -1.121 4.314 1.00 0.00 H new ATOM 1834 N TRP A 123 14.310 -2.454 2.371 1.00 0.00 N ATOM 1835 CA TRP A 123 12.965 -3.022 2.449 1.00 0.00 C ATOM 1836 C TRP A 123 12.849 -4.274 1.583 1.00 0.00 C ATOM 1837 O TRP A 123 11.939 -5.083 1.766 1.00 0.00 O ATOM 1838 CB TRP A 123 11.919 -1.994 2.016 1.00 0.00 C ATOM 1839 CG TRP A 123 11.392 -1.161 3.146 1.00 0.00 C ATOM 1840 CD1 TRP A 123 11.222 0.192 3.151 1.00 0.00 C ATOM 1841 CD2 TRP A 123 10.964 -1.622 4.435 1.00 0.00 C ATOM 1842 NE1 TRP A 123 10.718 0.597 4.363 1.00 0.00 N ATOM 1843 CE2 TRP A 123 10.553 -0.502 5.164 1.00 0.00 C ATOM 1844 CE3 TRP A 123 10.888 -2.874 5.043 1.00 0.00 C ATOM 1845 CZ2 TRP A 123 10.077 -0.604 6.462 1.00 0.00 C ATOM 1846 CZ3 TRP A 123 10.416 -2.972 6.333 1.00 0.00 C ATOM 1847 CH2 TRP A 123 10.014 -1.840 7.032 1.00 0.00 C ATOM 0 H TRP A 123 14.351 -1.511 1.984 1.00 0.00 H new ATOM 0 HA TRP A 123 12.781 -3.299 3.487 1.00 0.00 H new ATOM 0 HB2 TRP A 123 12.357 -1.337 1.265 1.00 0.00 H new ATOM 0 HB3 TRP A 123 11.087 -2.513 1.540 1.00 0.00 H new ATOM 0 HD1 TRP A 123 11.450 0.848 2.324 1.00 0.00 H new ATOM 0 HE1 TRP A 123 10.502 1.559 4.624 1.00 0.00 H new ATOM 0 HE3 TRP A 123 11.197 -3.759 4.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 9.764 0.274 7.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 10.357 -3.940 6.807 1.00 0.00 H new ATOM 0 HH2 TRP A 123 9.646 -1.942 8.042 1.00 0.00 H new ATOM 1858 N ILE A 124 13.778 -4.429 0.645 1.00 0.00 N ATOM 1859 CA ILE A 124 13.783 -5.584 -0.245 1.00 0.00 C ATOM 1860 C ILE A 124 15.129 -6.301 -0.205 1.00 0.00 C ATOM 1861 O ILE A 124 15.414 -7.157 -1.041 1.00 0.00 O ATOM 1862 CB ILE A 124 13.472 -5.180 -1.697 1.00 0.00 C ATOM 1863 CG1 ILE A 124 14.326 -3.981 -2.114 1.00 0.00 C ATOM 1864 CG2 ILE A 124 11.991 -4.865 -1.855 1.00 0.00 C ATOM 1865 CD1 ILE A 124 14.831 -4.063 -3.538 1.00 0.00 C ATOM 0 H ILE A 124 14.538 -3.768 0.482 1.00 0.00 H new ATOM 0 HA ILE A 124 13.003 -6.258 0.109 1.00 0.00 H new ATOM 0 HB ILE A 124 13.717 -6.018 -2.350 1.00 0.00 H new ATOM 0 HG12 ILE A 124 13.740 -3.070 -1.997 1.00 0.00 H new ATOM 0 HG13 ILE A 124 15.178 -3.900 -1.439 1.00 0.00 H new ATOM 0 HG21 ILE A 124 11.788 -4.581 -2.888 1.00 0.00 H new ATOM 0 HG22 ILE A 124 11.402 -5.746 -1.598 1.00 0.00 H new ATOM 0 HG23 ILE A 124 11.721 -4.042 -1.193 1.00 0.00 H new ATOM 0 HD11 ILE A 124 15.428 -3.180 -3.764 1.00 0.00 H new ATOM 0 HD12 ILE A 124 15.445 -4.956 -3.655 1.00 0.00 H new ATOM 0 HD13 ILE A 124 13.984 -4.112 -4.222 1.00 0.00 H new ATOM 1877 N ARG A 125 15.950 -5.941 0.777 1.00 0.00 N ATOM 1878 CA ARG A 125 17.268 -6.545 0.933 1.00 0.00 C ATOM 1879 C ARG A 125 17.151 -8.015 1.325 1.00 0.00 C ATOM 1880 O ARG A 125 17.007 -8.344 2.503 1.00 0.00 O ATOM 1881 CB ARG A 125 18.078 -5.786 1.986 1.00 0.00 C ATOM 1882 CG ARG A 125 19.509 -5.495 1.560 1.00 0.00 C ATOM 1883 CD ARG A 125 20.505 -5.923 2.625 1.00 0.00 C ATOM 1884 NE ARG A 125 20.901 -4.808 3.482 1.00 0.00 N ATOM 1885 CZ ARG A 125 21.788 -4.914 4.468 1.00 0.00 C ATOM 1886 NH1 ARG A 125 22.369 -6.080 4.718 1.00 0.00 N ATOM 1887 NH2 ARG A 125 22.094 -3.854 5.202 1.00 0.00 N ATOM 0 H ARG A 125 15.725 -5.234 1.477 1.00 0.00 H new ATOM 0 HA ARG A 125 17.784 -6.484 -0.025 1.00 0.00 H new ATOM 0 HB2 ARG A 125 17.576 -4.845 2.210 1.00 0.00 H new ATOM 0 HB3 ARG A 125 18.093 -6.366 2.909 1.00 0.00 H new ATOM 0 HG2 ARG A 125 19.725 -6.016 0.628 1.00 0.00 H new ATOM 0 HG3 ARG A 125 19.621 -4.429 1.363 1.00 0.00 H new ATOM 0 HD2 ARG A 125 20.066 -6.712 3.236 1.00 0.00 H new ATOM 0 HD3 ARG A 125 21.389 -6.345 2.147 1.00 0.00 H new ATOM 0 HE ARG A 125 20.473 -3.897 3.315 1.00 0.00 H new ATOM 0 HH11 ARG A 125 22.136 -6.897 4.154 1.00 0.00 H new ATOM 0 HH12 ARG A 125 23.049 -6.159 5.474 1.00 0.00 H new ATOM 0 HH21 ARG A 125 21.649 -2.956 5.011 1.00 0.00 H new ATOM 0 HH22 ARG A 125 22.774 -3.936 5.958 1.00 0.00 H new ATOM 1901 N GLY A 126 17.216 -8.895 0.330 1.00 0.00 N ATOM 1902 CA GLY A 126 17.117 -10.319 0.590 1.00 0.00 C ATOM 1903 C GLY A 126 15.960 -10.967 -0.147 1.00 0.00 C ATOM 1904 O GLY A 126 15.781 -12.184 -0.087 1.00 0.00 O ATOM 0 H GLY A 126 17.336 -8.646 -0.652 1.00 0.00 H new ATOM 0 HA2 GLY A 126 18.048 -10.804 0.296 1.00 0.00 H new ATOM 0 HA3 GLY A 126 16.998 -10.482 1.661 1.00 0.00 H new ATOM 1908 N CYS A 127 15.173 -10.150 -0.840 1.00 0.00 N ATOM 1909 CA CYS A 127 14.028 -10.644 -1.589 1.00 0.00 C ATOM 1910 C CYS A 127 14.464 -11.499 -2.775 1.00 0.00 C ATOM 1911 O CYS A 127 15.648 -11.794 -2.936 1.00 0.00 O ATOM 1912 CB CYS A 127 13.179 -9.483 -2.061 1.00 0.00 C ATOM 1913 SG CYS A 127 11.866 -8.998 -0.895 1.00 0.00 S ATOM 0 H CYS A 127 15.310 -9.141 -0.897 1.00 0.00 H new ATOM 0 HA CYS A 127 13.436 -11.275 -0.926 1.00 0.00 H new ATOM 0 HB2 CYS A 127 13.825 -8.624 -2.241 1.00 0.00 H new ATOM 0 HB3 CYS A 127 12.723 -9.745 -3.016 1.00 0.00 H new ATOM 1918 N ARG A 128 13.503 -11.895 -3.601 1.00 0.00 N ATOM 1919 CA ARG A 128 13.791 -12.719 -4.771 1.00 0.00 C ATOM 1920 C ARG A 128 13.052 -12.202 -6.001 1.00 0.00 C ATOM 1921 O ARG A 128 11.955 -12.665 -6.318 1.00 0.00 O ATOM 1922 CB ARG A 128 13.406 -14.174 -4.502 1.00 0.00 C ATOM 1923 CG ARG A 128 14.371 -14.898 -3.579 1.00 0.00 C ATOM 1924 CD ARG A 128 13.734 -15.201 -2.233 1.00 0.00 C ATOM 1925 NE ARG A 128 12.567 -16.070 -2.362 1.00 0.00 N ATOM 1926 CZ ARG A 128 12.456 -17.249 -1.758 1.00 0.00 C ATOM 1927 NH1 ARG A 128 13.436 -17.699 -0.986 1.00 0.00 N ATOM 1928 NH2 ARG A 128 11.362 -17.980 -1.926 1.00 0.00 N ATOM 0 H ARG A 128 12.518 -11.660 -3.483 1.00 0.00 H new ATOM 0 HA ARG A 128 14.862 -12.664 -4.967 1.00 0.00 H new ATOM 0 HB2 ARG A 128 12.408 -14.202 -4.065 1.00 0.00 H new ATOM 0 HB3 ARG A 128 13.354 -14.708 -5.451 1.00 0.00 H new ATOM 0 HG2 ARG A 128 14.695 -15.828 -4.047 1.00 0.00 H new ATOM 0 HG3 ARG A 128 15.262 -14.288 -3.432 1.00 0.00 H new ATOM 0 HD2 ARG A 128 14.469 -15.676 -1.583 1.00 0.00 H new ATOM 0 HD3 ARG A 128 13.440 -14.268 -1.753 1.00 0.00 H new ATOM 0 HE ARG A 128 11.794 -15.755 -2.948 1.00 0.00 H new ATOM 0 HH11 ARG A 128 14.279 -17.140 -0.854 1.00 0.00 H new ATOM 0 HH12 ARG A 128 13.347 -18.604 -0.524 1.00 0.00 H new ATOM 0 HH21 ARG A 128 10.606 -17.638 -2.519 1.00 0.00 H new ATOM 0 HH22 ARG A 128 11.277 -18.885 -1.463 1.00 0.00 H new ATOM 1942 N LEU A 129 13.660 -11.243 -6.692 1.00 0.00 N ATOM 1943 CA LEU A 129 13.061 -10.664 -7.890 1.00 0.00 C ATOM 1944 C LEU A 129 14.118 -9.978 -8.749 1.00 0.00 C ATOM 1945 O LEU A 129 13.770 -9.512 -9.854 1.00 0.00 O ATOM 1946 CB LEU A 129 11.968 -9.664 -7.509 1.00 0.00 C ATOM 1947 CG LEU A 129 12.299 -8.765 -6.316 1.00 0.00 C ATOM 1948 CD1 LEU A 129 12.053 -7.305 -6.665 1.00 0.00 C ATOM 1949 CD2 LEU A 129 11.479 -9.172 -5.103 1.00 0.00 C ATOM 1950 OXT LEU A 129 15.285 -9.910 -8.308 1.00 0.00 O ATOM 0 H LEU A 129 14.568 -10.850 -6.443 1.00 0.00 H new ATOM 0 HA LEU A 129 12.616 -11.473 -8.470 1.00 0.00 H new ATOM 0 HB2 LEU A 129 11.757 -9.033 -8.372 1.00 0.00 H new ATOM 0 HB3 LEU A 129 11.054 -10.215 -7.287 1.00 0.00 H new ATOM 0 HG LEU A 129 13.355 -8.885 -6.073 1.00 0.00 H new ATOM 0 HD11 LEU A 129 12.294 -6.680 -5.805 1.00 0.00 H new ATOM 0 HD12 LEU A 129 12.683 -7.021 -7.508 1.00 0.00 H new ATOM 0 HD13 LEU A 129 11.006 -7.166 -6.933 1.00 0.00 H new ATOM 0 HD21 LEU A 129 11.726 -8.523 -4.263 1.00 0.00 H new ATOM 0 HD22 LEU A 129 10.418 -9.079 -5.334 1.00 0.00 H new ATOM 0 HD23 LEU A 129 11.705 -10.206 -4.842 1.00 0.00 H new