USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=26 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 :FLIP no HE2:sc= -0.513 F(o=-1.2,f=-0.53) USER MOD Set 1.2: A 89 THR OG1 : rot 180:sc= -0.0192 USER MOD Set 2.1: A 51 THR OG1 : rot -13:sc= -1.21 USER MOD Set 2.2: A 53 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 46 ASN : amide:sc= -0.0887 X(o=0.32,f=0.1) USER MOD Set 3.2: A 50 SER OG : rot 28:sc= 0.409 USER MOD Set 4.1: A 24 SER OG : rot -33:sc= 1.25 USER MOD Set 4.2: A 27 ASN :FLIP amide:sc= -1.22! C(o=-5!,f=0.027!) USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -109:sc= -10.5! (180deg=-12.5!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.0413 X(o=-0.041,f=-0.16) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 50:sc= -2.76! USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc= -0.465 K(o=-0.47,f=-3.7) USER MOD Single : A 40 THR OG1 : rot -89:sc= 0.00267 USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 43 THR OG1 : rot 7:sc= 0.744! USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.536 X(o=-0.54,f=-0.62) USER MOD Single : A 59 ASN : amide:sc= -4.46! C(o=-4.5!,f=-9.3!) USER MOD Single : A 60 SER OG : rot 124:sc= 1.23 USER MOD Single : A 65 ASN : amide:sc= -0.0457 K(o=-0.046,f=-1.5) USER MOD Single : A 69 THR OG1 : rot 62:sc= 0.255 USER MOD Single : A 72 SER OG : rot 122:sc= 1.16 USER MOD Single : A 74 ASN : amide:sc= -5.26! C(o=-5.3!,f=-8.8!) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 81 SER OG : rot 180:sc= 0.00665 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= -1.52 USER MOD Single : A 93 ASN :FLIP amide:sc= -0.122 F(o=-1.6,f=-0.12) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 176:sc= -0.0142 (180deg=-0.0592) USER MOD Single : A 100 SER OG : rot -33:sc= 0.211 USER MOD Single : A 103 ASN : amide:sc= -1.64 K(o=-1.6,f=-2.9!) USER MOD Single : A 105 MET CE :methyl -155:sc= -1.84 (180deg=-4.52!) USER MOD Single : A 106 ASN : amide:sc= -0.208 X(o=-0.21,f=-0.21) USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot -59:sc= 0.854 USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -6.584 -10.629 2.774 1.00 0.00 N ATOM 2 CA LYS A 1 -5.842 -10.891 1.512 1.00 0.00 C ATOM 3 C LYS A 1 -4.774 -9.828 1.270 1.00 0.00 C ATOM 4 O LYS A 1 -4.900 -9.004 0.367 1.00 0.00 O ATOM 5 CB LYS A 1 -6.843 -10.911 0.355 1.00 0.00 C ATOM 6 CG LYS A 1 -7.186 -12.310 -0.129 1.00 0.00 C ATOM 7 CD LYS A 1 -8.072 -12.271 -1.363 1.00 0.00 C ATOM 8 CE LYS A 1 -8.113 -13.620 -2.063 1.00 0.00 C ATOM 9 NZ LYS A 1 -8.990 -14.588 -1.349 1.00 0.00 N ATOM 0 H1 LYS A 1 -7.304 -11.367 2.913 1.00 0.00 H new ATOM 0 H2 LYS A 1 -5.921 -10.637 3.575 1.00 0.00 H new ATOM 0 H3 LYS A 1 -7.048 -9.700 2.718 1.00 0.00 H new ATOM 0 HA LYS A 1 -5.335 -11.853 1.586 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.759 -10.410 0.669 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -6.435 -10.338 -0.477 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -6.268 -12.853 -0.356 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -7.692 -12.857 0.666 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -9.082 -11.977 -1.078 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -7.703 -11.513 -2.053 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -8.472 -13.489 -3.084 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -7.103 -14.025 -2.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -8.992 -15.495 -1.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -8.633 -14.733 -0.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -9.959 -14.213 -1.307 1.00 0.00 H new ATOM 25 N VAL A 2 -3.728 -9.853 2.089 1.00 0.00 N ATOM 26 CA VAL A 2 -2.637 -8.892 1.973 1.00 0.00 C ATOM 27 C VAL A 2 -1.426 -9.519 1.278 1.00 0.00 C ATOM 28 O VAL A 2 -1.151 -10.706 1.449 1.00 0.00 O ATOM 29 CB VAL A 2 -2.214 -8.371 3.367 1.00 0.00 C ATOM 30 CG1 VAL A 2 -0.923 -7.575 3.291 1.00 0.00 C ATOM 31 CG2 VAL A 2 -3.318 -7.522 3.976 1.00 0.00 C ATOM 0 H VAL A 2 -3.613 -10.531 2.843 1.00 0.00 H new ATOM 0 HA VAL A 2 -2.998 -8.057 1.372 1.00 0.00 H new ATOM 0 HB VAL A 2 -2.040 -9.237 4.006 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.653 -7.223 4.287 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.127 -8.210 2.902 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.061 -6.720 2.629 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.003 -7.164 4.956 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.522 -6.670 3.327 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.222 -8.122 4.082 1.00 0.00 H new ATOM 41 N PHE A 3 -0.691 -8.709 0.516 1.00 0.00 N ATOM 42 CA PHE A 3 0.502 -9.178 -0.177 1.00 0.00 C ATOM 43 C PHE A 3 1.676 -9.258 0.787 1.00 0.00 C ATOM 44 O PHE A 3 1.626 -8.714 1.890 1.00 0.00 O ATOM 45 CB PHE A 3 0.885 -8.217 -1.305 1.00 0.00 C ATOM 46 CG PHE A 3 -0.041 -8.219 -2.483 1.00 0.00 C ATOM 47 CD1 PHE A 3 -0.454 -9.406 -3.063 1.00 0.00 C ATOM 48 CD2 PHE A 3 -0.482 -7.024 -3.023 1.00 0.00 C ATOM 49 CE1 PHE A 3 -1.295 -9.399 -4.158 1.00 0.00 C ATOM 50 CE2 PHE A 3 -1.318 -7.010 -4.117 1.00 0.00 C ATOM 51 CZ PHE A 3 -1.728 -8.199 -4.688 1.00 0.00 C ATOM 0 H PHE A 3 -0.904 -7.723 0.365 1.00 0.00 H new ATOM 0 HA PHE A 3 0.279 -10.163 -0.586 1.00 0.00 H new ATOM 0 HB2 PHE A 3 0.931 -7.206 -0.900 1.00 0.00 H new ATOM 0 HB3 PHE A 3 1.888 -8.468 -1.650 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -0.115 -10.347 -2.655 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -0.167 -6.090 -2.581 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -1.614 -10.331 -4.600 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -1.653 -6.069 -4.529 1.00 0.00 H new ATOM 0 HZ PHE A 3 -2.385 -8.191 -5.545 1.00 0.00 H new ATOM 61 N GLY A 4 2.741 -9.913 0.351 1.00 0.00 N ATOM 62 CA GLY A 4 3.929 -10.026 1.171 1.00 0.00 C ATOM 63 C GLY A 4 4.922 -8.925 0.855 1.00 0.00 C ATOM 64 O GLY A 4 4.534 -7.854 0.386 1.00 0.00 O ATOM 0 H GLY A 4 2.804 -10.370 -0.559 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.653 -9.978 2.224 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.395 -10.998 1.008 1.00 0.00 H new ATOM 68 N ARG A 5 6.200 -9.179 1.102 1.00 0.00 N ATOM 69 CA ARG A 5 7.236 -8.188 0.829 1.00 0.00 C ATOM 70 C ARG A 5 7.787 -8.346 -0.578 1.00 0.00 C ATOM 71 O ARG A 5 7.722 -7.418 -1.385 1.00 0.00 O ATOM 72 CB ARG A 5 8.365 -8.294 1.854 1.00 0.00 C ATOM 73 CG ARG A 5 7.980 -7.794 3.237 1.00 0.00 C ATOM 74 CD ARG A 5 8.022 -8.912 4.266 1.00 0.00 C ATOM 75 NE ARG A 5 9.391 -9.312 4.583 1.00 0.00 N ATOM 76 CZ ARG A 5 9.914 -10.487 4.245 1.00 0.00 C ATOM 77 NH1 ARG A 5 9.185 -11.375 3.581 1.00 0.00 N ATOM 78 NH2 ARG A 5 11.166 -10.774 4.571 1.00 0.00 N ATOM 0 H ARG A 5 6.545 -10.058 1.489 1.00 0.00 H new ATOM 0 HA ARG A 5 6.782 -7.200 0.908 1.00 0.00 H new ATOM 0 HB2 ARG A 5 8.681 -9.335 1.928 1.00 0.00 H new ATOM 0 HB3 ARG A 5 9.223 -7.725 1.497 1.00 0.00 H new ATOM 0 HG2 ARG A 5 8.658 -6.996 3.538 1.00 0.00 H new ATOM 0 HG3 ARG A 5 6.978 -7.366 3.204 1.00 0.00 H new ATOM 0 HD2 ARG A 5 7.519 -8.586 5.177 1.00 0.00 H new ATOM 0 HD3 ARG A 5 7.471 -9.773 3.889 1.00 0.00 H new ATOM 0 HE ARG A 5 9.979 -8.652 5.093 1.00 0.00 H new ATOM 0 HH11 ARG A 5 8.221 -11.157 3.329 1.00 0.00 H new ATOM 0 HH12 ARG A 5 9.589 -12.276 3.323 1.00 0.00 H new ATOM 0 HH21 ARG A 5 11.729 -10.094 5.081 1.00 0.00 H new ATOM 0 HH22 ARG A 5 11.567 -11.675 4.312 1.00 0.00 H new ATOM 92 N CYS A 6 8.333 -9.517 -0.875 1.00 0.00 N ATOM 93 CA CYS A 6 8.890 -9.767 -2.192 1.00 0.00 C ATOM 94 C CYS A 6 7.803 -10.130 -3.188 1.00 0.00 C ATOM 95 O CYS A 6 7.863 -9.727 -4.341 1.00 0.00 O ATOM 96 CB CYS A 6 9.936 -10.870 -2.146 1.00 0.00 C ATOM 97 SG CYS A 6 11.061 -10.774 -0.717 1.00 0.00 S ATOM 0 H CYS A 6 8.401 -10.301 -0.226 1.00 0.00 H new ATOM 0 HA CYS A 6 9.370 -8.845 -2.520 1.00 0.00 H new ATOM 0 HB2 CYS A 6 9.429 -11.835 -2.131 1.00 0.00 H new ATOM 0 HB3 CYS A 6 10.526 -10.834 -3.062 1.00 0.00 H new ATOM 102 N GLU A 7 6.805 -10.886 -2.739 1.00 0.00 N ATOM 103 CA GLU A 7 5.710 -11.275 -3.618 1.00 0.00 C ATOM 104 C GLU A 7 5.262 -10.068 -4.431 1.00 0.00 C ATOM 105 O GLU A 7 5.215 -10.106 -5.665 1.00 0.00 O ATOM 106 CB GLU A 7 4.539 -11.831 -2.805 1.00 0.00 C ATOM 107 CG GLU A 7 4.906 -13.034 -1.954 1.00 0.00 C ATOM 108 CD GLU A 7 3.880 -14.147 -2.042 1.00 0.00 C ATOM 109 OE1 GLU A 7 2.723 -13.921 -1.629 1.00 0.00 O ATOM 110 OE2 GLU A 7 4.233 -15.244 -2.524 1.00 0.00 O ATOM 0 H GLU A 7 6.733 -11.237 -1.784 1.00 0.00 H new ATOM 0 HA GLU A 7 6.056 -12.058 -4.293 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.151 -11.044 -2.158 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.735 -12.110 -3.486 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.877 -13.415 -2.270 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.009 -12.721 -0.915 1.00 0.00 H new ATOM 117 N LEU A 8 4.969 -8.982 -3.726 1.00 0.00 N ATOM 118 CA LEU A 8 4.559 -7.754 -4.375 1.00 0.00 C ATOM 119 C LEU A 8 5.725 -7.128 -5.129 1.00 0.00 C ATOM 120 O LEU A 8 5.526 -6.567 -6.202 1.00 0.00 O ATOM 121 CB LEU A 8 4.004 -6.747 -3.366 1.00 0.00 C ATOM 122 CG LEU A 8 3.784 -5.339 -3.931 1.00 0.00 C ATOM 123 CD1 LEU A 8 2.327 -5.135 -4.314 1.00 0.00 C ATOM 124 CD2 LEU A 8 4.230 -4.283 -2.933 1.00 0.00 C ATOM 0 H LEU A 8 5.009 -8.932 -2.708 1.00 0.00 H new ATOM 0 HA LEU A 8 3.769 -8.009 -5.081 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.056 -7.123 -2.980 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.689 -6.683 -2.521 1.00 0.00 H new ATOM 0 HG LEU A 8 4.391 -5.235 -4.831 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.193 -4.129 -4.713 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.044 -5.866 -5.071 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.698 -5.263 -3.433 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.065 -3.291 -3.354 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.655 -4.386 -2.013 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.290 -4.413 -2.715 1.00 0.00 H new ATOM 136 N ALA A 9 6.946 -7.229 -4.581 1.00 0.00 N ATOM 137 CA ALA A 9 8.112 -6.653 -5.249 1.00 0.00 C ATOM 138 C ALA A 9 8.330 -7.289 -6.612 1.00 0.00 C ATOM 139 O ALA A 9 8.393 -6.593 -7.623 1.00 0.00 O ATOM 140 CB ALA A 9 9.354 -6.787 -4.392 1.00 0.00 C ATOM 0 H ALA A 9 7.145 -7.695 -3.696 1.00 0.00 H new ATOM 0 HA ALA A 9 7.917 -5.591 -5.397 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.205 -6.350 -4.914 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.202 -6.266 -3.447 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.550 -7.841 -4.198 1.00 0.00 H new ATOM 146 N ALA A 10 8.429 -8.614 -6.640 1.00 0.00 N ATOM 147 CA ALA A 10 8.614 -9.327 -7.891 1.00 0.00 C ATOM 148 C ALA A 10 7.565 -8.865 -8.885 1.00 0.00 C ATOM 149 O ALA A 10 7.842 -8.711 -10.075 1.00 0.00 O ATOM 150 CB ALA A 10 8.521 -10.830 -7.670 1.00 0.00 C ATOM 0 H ALA A 10 8.384 -9.210 -5.813 1.00 0.00 H new ATOM 0 HA ALA A 10 9.606 -9.111 -8.288 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.662 -11.347 -8.619 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.294 -11.143 -6.968 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.540 -11.078 -7.264 1.00 0.00 H new ATOM 156 N ALA A 11 6.357 -8.622 -8.378 1.00 0.00 N ATOM 157 CA ALA A 11 5.269 -8.151 -9.220 1.00 0.00 C ATOM 158 C ALA A 11 5.573 -6.766 -9.754 1.00 0.00 C ATOM 159 O ALA A 11 5.261 -6.440 -10.897 1.00 0.00 O ATOM 160 CB ALA A 11 3.953 -8.165 -8.458 1.00 0.00 C ATOM 0 H ALA A 11 6.112 -8.744 -7.395 1.00 0.00 H new ATOM 0 HA ALA A 11 5.172 -8.828 -10.068 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.153 -7.809 -9.107 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.731 -9.182 -8.133 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.030 -7.515 -7.587 1.00 0.00 H new ATOM 166 N MET A 12 6.192 -5.971 -8.911 1.00 0.00 N ATOM 167 CA MET A 12 6.571 -4.603 -9.272 1.00 0.00 C ATOM 168 C MET A 12 7.473 -4.612 -10.496 1.00 0.00 C ATOM 169 O MET A 12 7.211 -3.925 -11.481 1.00 0.00 O ATOM 170 CB MET A 12 7.307 -3.910 -8.123 1.00 0.00 C ATOM 171 CG MET A 12 6.675 -4.125 -6.761 1.00 0.00 C ATOM 172 SD MET A 12 4.915 -3.742 -6.744 1.00 0.00 S ATOM 173 CE MET A 12 4.961 -1.987 -7.080 1.00 0.00 C ATOM 0 H MET A 12 6.450 -6.241 -7.962 1.00 0.00 H new ATOM 0 HA MET A 12 5.654 -4.055 -9.488 1.00 0.00 H new ATOM 0 HB2 MET A 12 8.335 -4.271 -8.095 1.00 0.00 H new ATOM 0 HB3 MET A 12 7.350 -2.840 -8.327 1.00 0.00 H new ATOM 0 HG2 MET A 12 6.820 -5.162 -6.457 1.00 0.00 H new ATOM 0 HG3 MET A 12 7.185 -3.503 -6.026 1.00 0.00 H new ATOM 0 HE1 MET A 12 4.685 -1.437 -6.180 1.00 0.00 H new ATOM 0 HE2 MET A 12 5.968 -1.701 -7.386 1.00 0.00 H new ATOM 0 HE3 MET A 12 4.258 -1.751 -7.879 1.00 0.00 H new ATOM 183 N LYS A 13 8.540 -5.403 -10.419 1.00 0.00 N ATOM 184 CA LYS A 13 9.491 -5.513 -11.516 1.00 0.00 C ATOM 185 C LYS A 13 8.769 -5.887 -12.799 1.00 0.00 C ATOM 186 O LYS A 13 9.007 -5.301 -13.855 1.00 0.00 O ATOM 187 CB LYS A 13 10.562 -6.557 -11.192 1.00 0.00 C ATOM 188 CG LYS A 13 11.815 -6.425 -12.041 1.00 0.00 C ATOM 189 CD LYS A 13 12.639 -7.703 -12.018 1.00 0.00 C ATOM 190 CE LYS A 13 14.128 -7.404 -11.951 1.00 0.00 C ATOM 191 NZ LYS A 13 14.889 -8.130 -13.005 1.00 0.00 N ATOM 0 H LYS A 13 8.766 -5.977 -9.607 1.00 0.00 H new ATOM 0 HA LYS A 13 9.977 -4.547 -11.653 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.835 -6.471 -10.140 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.141 -7.553 -11.332 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.537 -6.188 -13.068 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.419 -5.595 -11.675 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.349 -8.309 -11.159 1.00 0.00 H new ATOM 0 HD3 LYS A 13 12.425 -8.292 -12.910 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.288 -6.332 -12.062 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.511 -7.684 -10.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.900 -7.899 -12.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.757 -9.155 -12.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.542 -7.844 -13.943 1.00 0.00 H new ATOM 205 N ARG A 14 7.878 -6.865 -12.696 1.00 0.00 N ATOM 206 CA ARG A 14 7.109 -7.319 -13.844 1.00 0.00 C ATOM 207 C ARG A 14 6.222 -6.196 -14.359 1.00 0.00 C ATOM 208 O ARG A 14 6.060 -6.023 -15.567 1.00 0.00 O ATOM 209 CB ARG A 14 6.256 -8.532 -13.470 1.00 0.00 C ATOM 210 CG ARG A 14 6.999 -9.854 -13.573 1.00 0.00 C ATOM 211 CD ARG A 14 6.045 -11.036 -13.503 1.00 0.00 C ATOM 212 NE ARG A 14 5.845 -11.655 -14.811 1.00 0.00 N ATOM 213 CZ ARG A 14 4.658 -12.038 -15.272 1.00 0.00 C ATOM 214 NH1 ARG A 14 3.569 -11.866 -14.534 1.00 0.00 N ATOM 215 NH2 ARG A 14 4.558 -12.594 -16.471 1.00 0.00 N ATOM 0 H ARG A 14 7.671 -7.358 -11.828 1.00 0.00 H new ATOM 0 HA ARG A 14 7.803 -7.611 -14.632 1.00 0.00 H new ATOM 0 HB2 ARG A 14 5.891 -8.408 -12.450 1.00 0.00 H new ATOM 0 HB3 ARG A 14 5.381 -8.565 -14.120 1.00 0.00 H new ATOM 0 HG2 ARG A 14 7.554 -9.888 -14.510 1.00 0.00 H new ATOM 0 HG3 ARG A 14 7.729 -9.926 -12.767 1.00 0.00 H new ATOM 0 HD2 ARG A 14 6.437 -11.778 -12.807 1.00 0.00 H new ATOM 0 HD3 ARG A 14 5.085 -10.704 -13.108 1.00 0.00 H new ATOM 0 HE ARG A 14 6.662 -11.802 -15.404 1.00 0.00 H new ATOM 0 HH11 ARG A 14 3.641 -11.439 -13.610 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.660 -12.161 -14.890 1.00 0.00 H new ATOM 0 HH21 ARG A 14 5.392 -12.729 -17.042 1.00 0.00 H new ATOM 0 HH22 ARG A 14 3.647 -12.887 -16.823 1.00 0.00 H new ATOM 229 N HIS A 15 5.624 -5.451 -13.433 1.00 0.00 N ATOM 230 CA HIS A 15 4.724 -4.364 -13.784 1.00 0.00 C ATOM 231 C HIS A 15 5.487 -3.134 -14.258 1.00 0.00 C ATOM 232 O HIS A 15 4.880 -2.155 -14.692 1.00 0.00 O ATOM 233 CB HIS A 15 3.861 -3.999 -12.578 1.00 0.00 C ATOM 234 CG HIS A 15 2.622 -4.829 -12.446 1.00 0.00 C ATOM 235 ND1 HIS A 15 1.942 -5.564 -13.360 1.00 0.00 N flip ATOM 236 CD2 HIS A 15 1.936 -4.971 -11.258 1.00 0.00 C flip ATOM 237 CE1 HIS A 15 0.871 -6.128 -12.711 1.00 0.00 C flip ATOM 238 NE2 HIS A 15 0.891 -5.755 -11.445 1.00 0.00 N flip ATOM 0 H HIS A 15 5.750 -5.584 -12.430 1.00 0.00 H new ATOM 0 HA HIS A 15 4.092 -4.705 -14.604 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.457 -4.106 -11.671 1.00 0.00 H new ATOM 0 HB3 HIS A 15 3.577 -2.949 -12.651 1.00 0.00 H new ATOM 0 HD1 HIS A 15 2.181 -5.677 -14.345 1.00 0.00 H new ATOM 0 HD2 HIS A 15 2.211 -4.512 -10.320 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.132 -6.773 -13.163 1.00 0.00 H new ATOM 247 N GLY A 16 6.816 -3.194 -14.221 1.00 0.00 N ATOM 248 CA GLY A 16 7.614 -2.085 -14.700 1.00 0.00 C ATOM 249 C GLY A 16 7.799 -0.948 -13.713 1.00 0.00 C ATOM 250 O GLY A 16 8.116 0.166 -14.129 1.00 0.00 O ATOM 0 H GLY A 16 7.350 -3.989 -13.869 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.597 -2.461 -14.984 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.151 -1.689 -15.604 1.00 0.00 H new ATOM 254 N LEU A 17 7.621 -1.188 -12.411 1.00 0.00 N ATOM 255 CA LEU A 17 7.805 -0.108 -11.448 1.00 0.00 C ATOM 256 C LEU A 17 9.254 -0.057 -11.011 1.00 0.00 C ATOM 257 O LEU A 17 9.643 0.751 -10.167 1.00 0.00 O ATOM 258 CB LEU A 17 6.888 -0.268 -10.233 1.00 0.00 C ATOM 259 CG LEU A 17 5.481 -0.814 -10.506 1.00 0.00 C ATOM 260 CD1 LEU A 17 4.477 -0.166 -9.568 1.00 0.00 C ATOM 261 CD2 LEU A 17 5.050 -0.587 -11.951 1.00 0.00 C ATOM 0 H LEU A 17 7.359 -2.090 -12.012 1.00 0.00 H new ATOM 0 HA LEU A 17 7.537 0.829 -11.936 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.379 -0.930 -9.520 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.789 0.704 -9.750 1.00 0.00 H new ATOM 0 HG LEU A 17 5.511 -1.889 -10.330 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.482 -0.561 -9.771 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.750 -0.384 -8.536 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.478 0.913 -9.723 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.048 -0.989 -12.099 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.048 0.482 -12.166 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.746 -1.091 -12.622 1.00 0.00 H new ATOM 273 N ASP A 18 10.041 -0.930 -11.609 1.00 0.00 N ATOM 274 CA ASP A 18 11.465 -1.017 -11.320 1.00 0.00 C ATOM 275 C ASP A 18 12.207 0.180 -11.909 1.00 0.00 C ATOM 276 O ASP A 18 12.762 0.104 -13.007 1.00 0.00 O ATOM 277 CB ASP A 18 12.042 -2.321 -11.878 1.00 0.00 C ATOM 278 CG ASP A 18 13.549 -2.398 -11.733 1.00 0.00 C ATOM 279 OD1 ASP A 18 14.031 -2.499 -10.585 1.00 0.00 O ATOM 280 OD2 ASP A 18 14.247 -2.359 -12.768 1.00 0.00 O ATOM 0 H ASP A 18 9.716 -1.599 -12.307 1.00 0.00 H new ATOM 0 HA ASP A 18 11.597 -1.008 -10.238 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.587 -3.166 -11.362 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.777 -2.411 -12.931 1.00 0.00 H new ATOM 285 N ASN A 19 12.204 1.281 -11.167 1.00 0.00 N ATOM 286 CA ASN A 19 12.867 2.513 -11.589 1.00 0.00 C ATOM 287 C ASN A 19 12.190 3.107 -12.806 1.00 0.00 C ATOM 288 O ASN A 19 12.844 3.654 -13.695 1.00 0.00 O ATOM 289 CB ASN A 19 14.352 2.265 -11.871 1.00 0.00 C ATOM 290 CG ASN A 19 15.255 2.979 -10.884 1.00 0.00 C ATOM 291 OD1 ASN A 19 16.031 2.348 -10.167 1.00 0.00 O ATOM 292 ND2 ASN A 19 15.157 4.303 -10.845 1.00 0.00 N ATOM 0 H ASN A 19 11.744 1.347 -10.259 1.00 0.00 H new ATOM 0 HA ASN A 19 12.787 3.229 -10.771 1.00 0.00 H new ATOM 0 HB2 ASN A 19 14.552 1.194 -11.834 1.00 0.00 H new ATOM 0 HB3 ASN A 19 14.588 2.598 -12.882 1.00 0.00 H new ATOM 0 HD21 ASN A 19 15.740 4.839 -10.202 1.00 0.00 H new ATOM 0 HD22 ASN A 19 14.499 4.784 -11.458 1.00 0.00 H new ATOM 299 N TYR A 20 10.870 3.022 -12.821 1.00 0.00 N ATOM 300 CA TYR A 20 10.100 3.582 -13.914 1.00 0.00 C ATOM 301 C TYR A 20 10.247 5.087 -13.861 1.00 0.00 C ATOM 302 O TYR A 20 10.791 5.600 -12.884 1.00 0.00 O ATOM 303 CB TYR A 20 8.627 3.182 -13.796 1.00 0.00 C ATOM 304 CG TYR A 20 7.806 3.504 -15.023 1.00 0.00 C ATOM 305 CD1 TYR A 20 7.976 2.793 -16.204 1.00 0.00 C ATOM 306 CD2 TYR A 20 6.856 4.519 -15.000 1.00 0.00 C ATOM 307 CE1 TYR A 20 7.226 3.086 -17.328 1.00 0.00 C ATOM 308 CE2 TYR A 20 6.102 4.816 -16.118 1.00 0.00 C ATOM 309 CZ TYR A 20 6.291 4.098 -17.280 1.00 0.00 C ATOM 310 OH TYR A 20 5.541 4.391 -18.396 1.00 0.00 O ATOM 0 H TYR A 20 10.314 2.573 -12.093 1.00 0.00 H new ATOM 0 HA TYR A 20 10.467 3.200 -14.867 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.566 2.111 -13.600 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.191 3.689 -12.935 1.00 0.00 H new ATOM 0 HD1 TYR A 20 8.706 1.998 -16.245 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.705 5.085 -14.092 1.00 0.00 H new ATOM 0 HE1 TYR A 20 7.372 2.525 -18.239 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.368 5.607 -16.083 1.00 0.00 H new ATOM 0 HH TYR A 20 4.929 5.129 -18.194 1.00 0.00 H new ATOM 320 N ARG A 21 9.801 5.788 -14.905 1.00 0.00 N ATOM 321 CA ARG A 21 9.909 7.243 -14.957 1.00 0.00 C ATOM 322 C ARG A 21 9.962 7.824 -13.548 1.00 0.00 C ATOM 323 O ARG A 21 10.696 8.775 -13.276 1.00 0.00 O ATOM 324 CB ARG A 21 8.726 7.838 -15.725 1.00 0.00 C ATOM 325 CG ARG A 21 9.140 8.747 -16.869 1.00 0.00 C ATOM 326 CD ARG A 21 7.945 9.473 -17.466 1.00 0.00 C ATOM 327 NE ARG A 21 6.951 8.544 -17.999 1.00 0.00 N ATOM 328 CZ ARG A 21 7.058 7.949 -19.183 1.00 0.00 C ATOM 329 NH1 ARG A 21 8.111 8.185 -19.955 1.00 0.00 N ATOM 330 NH2 ARG A 21 6.112 7.117 -19.597 1.00 0.00 N ATOM 0 H ARG A 21 9.362 5.369 -15.725 1.00 0.00 H new ATOM 0 HA ARG A 21 10.832 7.501 -15.477 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.115 7.027 -16.120 1.00 0.00 H new ATOM 0 HB3 ARG A 21 8.100 8.401 -15.033 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.868 9.475 -16.511 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.633 8.158 -17.643 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.483 10.100 -16.703 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.284 10.137 -18.261 1.00 0.00 H new ATOM 0 HE ARG A 21 6.129 8.341 -17.431 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.841 8.824 -19.640 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.191 7.727 -20.863 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.301 6.933 -19.007 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.196 6.661 -20.506 1.00 0.00 H new ATOM 344 N GLY A 22 9.177 7.226 -12.655 1.00 0.00 N ATOM 345 CA GLY A 22 9.137 7.662 -11.278 1.00 0.00 C ATOM 346 C GLY A 22 10.293 7.117 -10.461 1.00 0.00 C ATOM 347 O GLY A 22 11.384 7.688 -10.466 1.00 0.00 O ATOM 0 H GLY A 22 8.564 6.439 -12.869 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.155 8.751 -11.245 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.197 7.345 -10.827 1.00 0.00 H new ATOM 351 N TYR A 23 10.050 6.029 -9.729 1.00 0.00 N ATOM 352 CA TYR A 23 11.091 5.453 -8.881 1.00 0.00 C ATOM 353 C TYR A 23 11.225 3.941 -9.013 1.00 0.00 C ATOM 354 O TYR A 23 10.467 3.287 -9.732 1.00 0.00 O ATOM 355 CB TYR A 23 10.822 5.813 -7.422 1.00 0.00 C ATOM 356 CG TYR A 23 11.013 7.280 -7.113 1.00 0.00 C ATOM 357 CD1 TYR A 23 10.044 8.213 -7.464 1.00 0.00 C ATOM 358 CD2 TYR A 23 12.158 7.733 -6.471 1.00 0.00 C ATOM 359 CE1 TYR A 23 10.211 9.555 -7.185 1.00 0.00 C ATOM 360 CE2 TYR A 23 12.332 9.076 -6.189 1.00 0.00 C ATOM 361 CZ TYR A 23 11.357 9.982 -6.547 1.00 0.00 C ATOM 362 OH TYR A 23 11.527 11.318 -6.268 1.00 0.00 O ATOM 0 H TYR A 23 9.157 5.537 -9.706 1.00 0.00 H new ATOM 0 HA TYR A 23 12.035 5.880 -9.221 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.801 5.527 -7.169 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.484 5.227 -6.784 1.00 0.00 H new ATOM 0 HD1 TYR A 23 9.145 7.883 -7.963 1.00 0.00 H new ATOM 0 HD2 TYR A 23 12.924 7.026 -6.188 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.448 10.267 -7.465 1.00 0.00 H new ATOM 0 HE2 TYR A 23 13.229 9.413 -5.690 1.00 0.00 H new ATOM 0 HH TYR A 23 12.386 11.451 -5.816 1.00 0.00 H new ATOM 372 N SER A 24 12.216 3.402 -8.295 1.00 0.00 N ATOM 373 CA SER A 24 12.501 1.978 -8.292 1.00 0.00 C ATOM 374 C SER A 24 11.389 1.204 -7.609 1.00 0.00 C ATOM 375 O SER A 24 10.671 1.744 -6.768 1.00 0.00 O ATOM 376 CB SER A 24 13.834 1.704 -7.594 1.00 0.00 C ATOM 377 OG SER A 24 13.730 1.912 -6.195 1.00 0.00 O ATOM 0 H SER A 24 12.840 3.949 -7.701 1.00 0.00 H new ATOM 0 HA SER A 24 12.567 1.644 -9.328 1.00 0.00 H new ATOM 0 HB2 SER A 24 14.147 0.678 -7.790 1.00 0.00 H new ATOM 0 HB3 SER A 24 14.604 2.356 -8.005 1.00 0.00 H new ATOM 0 HG SER A 24 13.097 2.639 -6.019 1.00 0.00 H new ATOM 383 N LEU A 25 11.254 -0.061 -7.985 1.00 0.00 N ATOM 384 CA LEU A 25 10.226 -0.925 -7.423 1.00 0.00 C ATOM 385 C LEU A 25 10.163 -0.794 -5.897 1.00 0.00 C ATOM 386 O LEU A 25 9.081 -0.671 -5.324 1.00 0.00 O ATOM 387 CB LEU A 25 10.463 -2.374 -7.843 1.00 0.00 C ATOM 388 CG LEU A 25 11.361 -3.185 -6.922 1.00 0.00 C ATOM 389 CD1 LEU A 25 10.535 -3.825 -5.816 1.00 0.00 C ATOM 390 CD2 LEU A 25 12.108 -4.236 -7.721 1.00 0.00 C ATOM 0 H LEU A 25 11.847 -0.513 -8.681 1.00 0.00 H new ATOM 0 HA LEU A 25 9.260 -0.607 -7.817 1.00 0.00 H new ATOM 0 HB2 LEU A 25 9.498 -2.876 -7.915 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.899 -2.378 -8.842 1.00 0.00 H new ATOM 0 HG LEU A 25 12.093 -2.523 -6.459 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.188 -4.403 -5.162 1.00 0.00 H new ATOM 0 HD12 LEU A 25 10.038 -3.047 -5.236 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.786 -4.484 -6.256 1.00 0.00 H new ATOM 0 HD21 LEU A 25 12.749 -4.813 -7.054 1.00 0.00 H new ATOM 0 HD22 LEU A 25 11.393 -4.903 -8.203 1.00 0.00 H new ATOM 0 HD23 LEU A 25 12.719 -3.749 -8.481 1.00 0.00 H new ATOM 402 N GLY A 26 11.323 -0.847 -5.241 1.00 0.00 N ATOM 403 CA GLY A 26 11.373 -0.753 -3.790 1.00 0.00 C ATOM 404 C GLY A 26 10.573 0.406 -3.222 1.00 0.00 C ATOM 405 O GLY A 26 9.899 0.254 -2.203 1.00 0.00 O ATOM 0 H GLY A 26 12.232 -0.954 -5.692 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.000 -1.684 -3.362 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.412 -0.652 -3.478 1.00 0.00 H new ATOM 409 N ASN A 27 10.639 1.566 -3.872 1.00 0.00 N ATOM 410 CA ASN A 27 9.901 2.737 -3.403 1.00 0.00 C ATOM 411 C ASN A 27 8.407 2.442 -3.379 1.00 0.00 C ATOM 412 O ASN A 27 7.655 3.018 -2.592 1.00 0.00 O ATOM 413 CB ASN A 27 10.186 3.946 -4.296 1.00 0.00 C ATOM 414 CG ASN A 27 11.634 4.393 -4.218 1.00 0.00 C ATOM 415 OD1 ASN A 27 12.403 4.088 -5.255 1.00 0.00 O flip ATOM 416 ND2 ASN A 27 12.054 5.006 -3.236 1.00 0.00 N flip ATOM 0 H ASN A 27 11.190 1.720 -4.716 1.00 0.00 H new ATOM 0 HA ASN A 27 10.231 2.970 -2.391 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.940 3.698 -5.329 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.537 4.772 -4.003 1.00 0.00 H new ATOM 0 HD21 ASN A 27 11.426 5.219 -2.461 1.00 0.00 H new ATOM 0 HD22 ASN A 27 13.030 5.301 -3.198 1.00 0.00 H new ATOM 423 N TRP A 28 7.995 1.524 -4.243 1.00 0.00 N ATOM 424 CA TRP A 28 6.602 1.111 -4.339 1.00 0.00 C ATOM 425 C TRP A 28 6.233 0.212 -3.178 1.00 0.00 C ATOM 426 O TRP A 28 5.121 0.284 -2.653 1.00 0.00 O ATOM 427 CB TRP A 28 6.377 0.390 -5.651 1.00 0.00 C ATOM 428 CG TRP A 28 6.705 1.251 -6.817 1.00 0.00 C ATOM 429 CD1 TRP A 28 7.911 1.362 -7.431 1.00 0.00 C ATOM 430 CD2 TRP A 28 5.820 2.143 -7.487 1.00 0.00 C ATOM 431 NE1 TRP A 28 7.835 2.271 -8.454 1.00 0.00 N ATOM 432 CE2 TRP A 28 6.553 2.763 -8.513 1.00 0.00 C ATOM 433 CE3 TRP A 28 4.474 2.468 -7.318 1.00 0.00 C ATOM 434 CZ2 TRP A 28 5.981 3.698 -9.371 1.00 0.00 C ATOM 435 CZ3 TRP A 28 3.901 3.394 -8.164 1.00 0.00 C ATOM 436 CH2 TRP A 28 4.654 4.002 -9.185 1.00 0.00 C ATOM 0 H TRP A 28 8.616 1.046 -4.896 1.00 0.00 H new ATOM 0 HA TRP A 28 5.967 1.996 -4.301 1.00 0.00 H new ATOM 0 HB2 TRP A 28 6.990 -0.511 -5.680 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.337 0.070 -5.716 1.00 0.00 H new ATOM 0 HD1 TRP A 28 8.800 0.814 -7.154 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.603 2.538 -9.070 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.890 2.002 -6.538 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.559 4.167 -10.154 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.860 3.656 -8.041 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.180 4.722 -9.835 1.00 0.00 H new ATOM 447 N VAL A 29 7.173 -0.632 -2.772 1.00 0.00 N ATOM 448 CA VAL A 29 6.951 -1.542 -1.665 1.00 0.00 C ATOM 449 C VAL A 29 6.830 -0.779 -0.359 1.00 0.00 C ATOM 450 O VAL A 29 5.901 -0.993 0.412 1.00 0.00 O ATOM 451 CB VAL A 29 8.101 -2.563 -1.560 1.00 0.00 C ATOM 452 CG1 VAL A 29 7.970 -3.408 -0.301 1.00 0.00 C ATOM 453 CG2 VAL A 29 8.146 -3.438 -2.803 1.00 0.00 C ATOM 0 H VAL A 29 8.098 -0.702 -3.197 1.00 0.00 H new ATOM 0 HA VAL A 29 6.019 -2.074 -1.853 1.00 0.00 H new ATOM 0 HB VAL A 29 9.041 -2.015 -1.492 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.794 -4.119 -0.253 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.997 -2.761 0.576 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.024 -3.950 -0.323 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.963 -4.154 -2.715 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.203 -3.975 -2.905 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.305 -2.813 -3.682 1.00 0.00 H new ATOM 463 N CYS A 30 7.782 0.106 -0.117 1.00 0.00 N ATOM 464 CA CYS A 30 7.794 0.906 1.096 1.00 0.00 C ATOM 465 C CYS A 30 6.532 1.763 1.204 1.00 0.00 C ATOM 466 O CYS A 30 5.888 1.807 2.256 1.00 0.00 O ATOM 467 CB CYS A 30 9.037 1.793 1.113 1.00 0.00 C ATOM 468 SG CYS A 30 9.346 2.619 2.702 1.00 0.00 S ATOM 0 H CYS A 30 8.561 0.289 -0.749 1.00 0.00 H new ATOM 0 HA CYS A 30 7.816 0.233 1.953 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.906 1.186 0.858 1.00 0.00 H new ATOM 0 HB3 CYS A 30 8.938 2.551 0.336 1.00 0.00 H new ATOM 473 N ALA A 31 6.184 2.446 0.113 1.00 0.00 N ATOM 474 CA ALA A 31 5.005 3.301 0.092 1.00 0.00 C ATOM 475 C ALA A 31 3.730 2.500 0.323 1.00 0.00 C ATOM 476 O ALA A 31 2.871 2.898 1.109 1.00 0.00 O ATOM 477 CB ALA A 31 4.923 4.051 -1.229 1.00 0.00 C ATOM 0 H ALA A 31 6.703 2.422 -0.765 1.00 0.00 H new ATOM 0 HA ALA A 31 5.099 4.020 0.906 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.037 4.687 -1.232 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.813 4.668 -1.353 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.860 3.337 -2.050 1.00 0.00 H new ATOM 483 N ALA A 32 3.612 1.372 -0.368 1.00 0.00 N ATOM 484 CA ALA A 32 2.439 0.517 -0.244 1.00 0.00 C ATOM 485 C ALA A 32 2.371 -0.142 1.129 1.00 0.00 C ATOM 486 O ALA A 32 1.306 -0.202 1.744 1.00 0.00 O ATOM 487 CB ALA A 32 2.439 -0.540 -1.337 1.00 0.00 C ATOM 0 H ALA A 32 4.316 1.028 -1.021 1.00 0.00 H new ATOM 0 HA ALA A 32 1.555 1.145 -0.356 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.557 -1.172 -1.232 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.424 -0.054 -2.313 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.336 -1.153 -1.251 1.00 0.00 H new ATOM 493 N LYS A 33 3.509 -0.648 1.598 1.00 0.00 N ATOM 494 CA LYS A 33 3.585 -1.319 2.892 1.00 0.00 C ATOM 495 C LYS A 33 2.929 -0.501 3.990 1.00 0.00 C ATOM 496 O LYS A 33 2.034 -0.980 4.679 1.00 0.00 O ATOM 497 CB LYS A 33 5.045 -1.584 3.262 1.00 0.00 C ATOM 498 CG LYS A 33 5.211 -2.487 4.474 1.00 0.00 C ATOM 499 CD LYS A 33 6.636 -3.000 4.594 1.00 0.00 C ATOM 500 CE LYS A 33 6.804 -3.900 5.809 1.00 0.00 C ATOM 501 NZ LYS A 33 6.600 -5.335 5.470 1.00 0.00 N ATOM 0 H LYS A 33 4.396 -0.605 1.097 1.00 0.00 H new ATOM 0 HA LYS A 33 3.047 -2.263 2.802 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.551 -2.037 2.409 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.540 -0.633 3.457 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.943 -1.939 5.377 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.525 -3.330 4.398 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.903 -3.551 3.692 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.323 -2.157 4.667 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.802 -3.764 6.226 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.093 -3.605 6.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.723 -5.915 6.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.639 -5.470 5.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.295 -5.624 4.752 1.00 0.00 H new ATOM 515 N PHE A 34 3.392 0.723 4.171 1.00 0.00 N ATOM 516 CA PHE A 34 2.848 1.574 5.216 1.00 0.00 C ATOM 517 C PHE A 34 1.487 2.136 4.846 1.00 0.00 C ATOM 518 O PHE A 34 0.719 2.541 5.719 1.00 0.00 O ATOM 519 CB PHE A 34 3.815 2.689 5.555 1.00 0.00 C ATOM 520 CG PHE A 34 4.771 2.339 6.660 1.00 0.00 C ATOM 521 CD1 PHE A 34 4.332 2.256 7.972 1.00 0.00 C ATOM 522 CD2 PHE A 34 6.106 2.091 6.386 1.00 0.00 C ATOM 523 CE1 PHE A 34 5.209 1.932 8.991 1.00 0.00 C ATOM 524 CE2 PHE A 34 6.987 1.767 7.400 1.00 0.00 C ATOM 525 CZ PHE A 34 6.538 1.687 8.704 1.00 0.00 C ATOM 0 H PHE A 34 4.135 1.147 3.615 1.00 0.00 H new ATOM 0 HA PHE A 34 2.709 0.951 6.100 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.384 2.950 4.662 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.249 3.575 5.842 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.294 2.446 8.201 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.462 2.152 5.368 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.855 1.871 10.010 1.00 0.00 H new ATOM 0 HE2 PHE A 34 8.026 1.576 7.173 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.225 1.433 9.498 1.00 0.00 H new ATOM 535 N GLU A 35 1.189 2.170 3.557 1.00 0.00 N ATOM 536 CA GLU A 35 -0.081 2.695 3.084 1.00 0.00 C ATOM 537 C GLU A 35 -1.255 1.821 3.510 1.00 0.00 C ATOM 538 O GLU A 35 -2.224 2.304 4.096 1.00 0.00 O ATOM 539 CB GLU A 35 -0.050 2.784 1.560 1.00 0.00 C ATOM 540 CG GLU A 35 -0.350 4.170 1.020 1.00 0.00 C ATOM 541 CD GLU A 35 0.091 4.337 -0.420 1.00 0.00 C ATOM 542 OE1 GLU A 35 1.284 4.630 -0.644 1.00 0.00 O ATOM 543 OE2 GLU A 35 -0.754 4.170 -1.322 1.00 0.00 O ATOM 0 H GLU A 35 1.811 1.840 2.819 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.221 3.681 3.527 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.933 2.472 1.207 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.774 2.080 1.150 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.420 4.362 1.094 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.151 4.914 1.639 1.00 0.00 H new ATOM 550 N SER A 36 -1.183 0.544 3.157 1.00 0.00 N ATOM 551 CA SER A 36 -2.268 -0.390 3.446 1.00 0.00 C ATOM 552 C SER A 36 -1.768 -1.691 4.060 1.00 0.00 C ATOM 553 O SER A 36 -2.519 -2.660 4.160 1.00 0.00 O ATOM 554 CB SER A 36 -3.012 -0.703 2.144 1.00 0.00 C ATOM 555 OG SER A 36 -2.097 -0.939 1.091 1.00 0.00 O ATOM 0 H SER A 36 -0.387 0.130 2.671 1.00 0.00 H new ATOM 0 HA SER A 36 -2.928 0.083 4.173 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.648 -1.578 2.283 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.667 0.129 1.884 1.00 0.00 H new ATOM 0 HG SER A 36 -1.424 -1.589 1.382 1.00 0.00 H new ATOM 561 N ASN A 37 -0.500 -1.724 4.447 1.00 0.00 N ATOM 562 CA ASN A 37 0.078 -2.935 5.020 1.00 0.00 C ATOM 563 C ASN A 37 -0.022 -4.066 4.005 1.00 0.00 C ATOM 564 O ASN A 37 -0.115 -5.234 4.366 1.00 0.00 O ATOM 565 CB ASN A 37 -0.641 -3.319 6.317 1.00 0.00 C ATOM 566 CG ASN A 37 0.326 -3.664 7.432 1.00 0.00 C ATOM 567 OD1 ASN A 37 0.563 -4.837 7.723 1.00 0.00 O ATOM 568 ND2 ASN A 37 0.890 -2.642 8.066 1.00 0.00 N ATOM 0 H ASN A 37 0.143 -0.936 4.376 1.00 0.00 H new ATOM 0 HA ASN A 37 1.125 -2.751 5.259 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.278 -2.493 6.634 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.294 -4.171 6.129 1.00 0.00 H new ATOM 0 HD21 ASN A 37 1.548 -2.814 8.826 1.00 0.00 H new ATOM 0 HD22 ASN A 37 0.665 -1.685 7.792 1.00 0.00 H new ATOM 575 N PHE A 38 0.010 -3.678 2.731 1.00 0.00 N ATOM 576 CA PHE A 38 -0.065 -4.590 1.598 1.00 0.00 C ATOM 577 C PHE A 38 -1.454 -5.198 1.459 1.00 0.00 C ATOM 578 O PHE A 38 -1.623 -6.246 0.844 1.00 0.00 O ATOM 579 CB PHE A 38 1.015 -5.670 1.690 1.00 0.00 C ATOM 580 CG PHE A 38 2.404 -5.124 1.516 1.00 0.00 C ATOM 581 CD1 PHE A 38 2.662 -4.150 0.564 1.00 0.00 C ATOM 582 CD2 PHE A 38 3.448 -5.576 2.304 1.00 0.00 C ATOM 583 CE1 PHE A 38 3.932 -3.639 0.399 1.00 0.00 C ATOM 584 CE2 PHE A 38 4.722 -5.068 2.145 1.00 0.00 C ATOM 585 CZ PHE A 38 4.965 -4.099 1.191 1.00 0.00 C ATOM 0 H PHE A 38 0.091 -2.699 2.455 1.00 0.00 H new ATOM 0 HA PHE A 38 0.123 -4.010 0.694 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.944 -6.166 2.658 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.830 -6.428 0.929 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.857 -3.786 -0.057 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.264 -6.334 3.051 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.118 -2.881 -0.348 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.528 -5.428 2.766 1.00 0.00 H new ATOM 0 HZ PHE A 38 5.961 -3.702 1.065 1.00 0.00 H new ATOM 595 N ASN A 39 -2.457 -4.518 2.005 1.00 0.00 N ATOM 596 CA ASN A 39 -3.829 -4.995 1.909 1.00 0.00 C ATOM 597 C ASN A 39 -4.399 -4.661 0.537 1.00 0.00 C ATOM 598 O ASN A 39 -4.645 -3.498 0.219 1.00 0.00 O ATOM 599 CB ASN A 39 -4.692 -4.379 3.010 1.00 0.00 C ATOM 600 CG ASN A 39 -6.096 -4.953 3.037 1.00 0.00 C ATOM 601 OD1 ASN A 39 -6.403 -5.911 2.326 1.00 0.00 O ATOM 602 ND2 ASN A 39 -6.958 -4.368 3.860 1.00 0.00 N ATOM 0 H ASN A 39 -2.346 -3.641 2.515 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.833 -6.077 2.040 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.216 -4.546 3.976 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.747 -3.300 2.864 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.917 -4.710 3.921 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.661 -3.577 4.431 1.00 0.00 H new ATOM 609 N THR A 40 -4.580 -5.690 -0.279 1.00 0.00 N ATOM 610 CA THR A 40 -5.093 -5.516 -1.629 1.00 0.00 C ATOM 611 C THR A 40 -6.557 -5.132 -1.572 1.00 0.00 C ATOM 612 O THR A 40 -7.076 -4.432 -2.440 1.00 0.00 O ATOM 613 CB THR A 40 -4.936 -6.810 -2.451 1.00 0.00 C ATOM 614 OG1 THR A 40 -6.117 -7.612 -2.334 1.00 0.00 O ATOM 615 CG2 THR A 40 -3.737 -7.612 -1.970 1.00 0.00 C ATOM 0 H THR A 40 -4.378 -6.658 -0.027 1.00 0.00 H new ATOM 0 HA THR A 40 -4.520 -4.726 -2.113 1.00 0.00 H new ATOM 0 HB THR A 40 -4.782 -6.533 -3.494 1.00 0.00 H new ATOM 0 HG1 THR A 40 -6.030 -8.212 -1.564 1.00 0.00 H new ATOM 0 HG21 THR A 40 -3.645 -8.521 -2.564 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.832 -7.014 -2.079 1.00 0.00 H new ATOM 0 HG23 THR A 40 -3.873 -7.876 -0.921 1.00 0.00 H new ATOM 623 N GLN A 41 -7.204 -5.607 -0.524 1.00 0.00 N ATOM 624 CA GLN A 41 -8.608 -5.347 -0.291 1.00 0.00 C ATOM 625 C GLN A 41 -8.798 -4.106 0.577 1.00 0.00 C ATOM 626 O GLN A 41 -9.907 -3.811 1.023 1.00 0.00 O ATOM 627 CB GLN A 41 -9.228 -6.564 0.385 1.00 0.00 C ATOM 628 CG GLN A 41 -9.822 -7.570 -0.586 1.00 0.00 C ATOM 629 CD GLN A 41 -11.259 -7.249 -0.952 1.00 0.00 C ATOM 630 OE1 GLN A 41 -11.638 -6.083 -1.062 1.00 0.00 O ATOM 631 NE2 GLN A 41 -12.066 -8.285 -1.145 1.00 0.00 N ATOM 0 H GLN A 41 -6.766 -6.187 0.192 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.100 -5.162 -1.246 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.467 -7.060 0.987 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.008 -6.230 1.069 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.217 -7.595 -1.492 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.777 -8.566 -0.145 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.709 -9.235 -1.043 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -13.043 -8.131 -1.395 1.00 0.00 H new ATOM 640 N ALA A 42 -7.702 -3.393 0.824 1.00 0.00 N ATOM 641 CA ALA A 42 -7.735 -2.193 1.653 1.00 0.00 C ATOM 642 C ALA A 42 -8.588 -1.088 1.042 1.00 0.00 C ATOM 643 O ALA A 42 -8.305 -0.596 -0.051 1.00 0.00 O ATOM 644 CB ALA A 42 -6.324 -1.682 1.896 1.00 0.00 C ATOM 0 H ALA A 42 -6.778 -3.627 0.460 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.193 -2.473 2.602 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.363 -0.786 2.516 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.741 -2.450 2.405 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.854 -1.443 0.942 1.00 0.00 H new ATOM 650 N THR A 43 -9.620 -0.689 1.775 1.00 0.00 N ATOM 651 CA THR A 43 -10.520 0.377 1.353 1.00 0.00 C ATOM 652 C THR A 43 -10.781 1.302 2.539 1.00 0.00 C ATOM 653 O THR A 43 -11.254 0.852 3.583 1.00 0.00 O ATOM 654 CB THR A 43 -11.862 -0.184 0.842 1.00 0.00 C ATOM 655 OG1 THR A 43 -12.637 -0.680 1.940 1.00 0.00 O ATOM 656 CG2 THR A 43 -11.636 -1.299 -0.168 1.00 0.00 C ATOM 0 H THR A 43 -9.857 -1.096 2.680 1.00 0.00 H new ATOM 0 HA THR A 43 -10.048 0.922 0.535 1.00 0.00 H new ATOM 0 HB THR A 43 -12.403 0.625 0.351 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.191 -0.455 2.783 1.00 0.00 H new ATOM 0 HG21 THR A 43 -12.598 -1.678 -0.513 1.00 0.00 H new ATOM 0 HG22 THR A 43 -11.073 -0.912 -1.017 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.075 -2.107 0.302 1.00 0.00 H new ATOM 664 N ASN A 44 -10.461 2.586 2.398 1.00 0.00 N ATOM 665 CA ASN A 44 -10.662 3.534 3.494 1.00 0.00 C ATOM 666 C ASN A 44 -11.271 4.841 3.003 1.00 0.00 C ATOM 667 O ASN A 44 -10.647 5.583 2.245 1.00 0.00 O ATOM 668 CB ASN A 44 -9.333 3.814 4.199 1.00 0.00 C ATOM 669 CG ASN A 44 -9.518 4.166 5.662 1.00 0.00 C ATOM 670 OD1 ASN A 44 -9.408 5.329 6.051 1.00 0.00 O ATOM 671 ND2 ASN A 44 -9.800 3.160 6.482 1.00 0.00 N ATOM 0 H ASN A 44 -10.067 2.991 1.549 1.00 0.00 H new ATOM 0 HA ASN A 44 -11.360 3.081 4.198 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -8.690 2.938 4.117 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -8.822 4.633 3.693 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -9.935 3.336 7.478 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -9.882 2.211 6.116 1.00 0.00 H new ATOM 678 N ARG A 45 -12.492 5.120 3.450 1.00 0.00 N ATOM 679 CA ARG A 45 -13.190 6.340 3.064 1.00 0.00 C ATOM 680 C ARG A 45 -12.645 7.544 3.826 1.00 0.00 C ATOM 681 O ARG A 45 -12.224 7.426 4.976 1.00 0.00 O ATOM 682 CB ARG A 45 -14.692 6.196 3.320 1.00 0.00 C ATOM 683 CG ARG A 45 -15.537 7.210 2.569 1.00 0.00 C ATOM 684 CD ARG A 45 -16.964 6.718 2.385 1.00 0.00 C ATOM 685 NE ARG A 45 -17.427 6.882 1.010 1.00 0.00 N ATOM 686 CZ ARG A 45 -18.693 7.121 0.680 1.00 0.00 C ATOM 687 NH1 ARG A 45 -19.619 7.226 1.624 1.00 0.00 N ATOM 688 NH2 ARG A 45 -19.032 7.258 -0.594 1.00 0.00 N ATOM 0 H ARG A 45 -13.019 4.516 4.081 1.00 0.00 H new ATOM 0 HA ARG A 45 -13.024 6.502 1.999 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -15.006 5.192 3.035 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -14.881 6.298 4.389 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -15.544 8.154 3.113 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -15.090 7.407 1.594 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -17.023 5.666 2.664 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -17.625 7.264 3.058 1.00 0.00 H new ATOM 0 HE ARG A 45 -16.740 6.809 0.259 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -19.361 7.123 2.605 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -20.589 7.409 1.368 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -18.322 7.180 -1.322 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -20.003 7.441 -0.846 1.00 0.00 H new ATOM 702 N ASN A 46 -12.659 8.702 3.173 1.00 0.00 N ATOM 703 CA ASN A 46 -12.167 9.932 3.784 1.00 0.00 C ATOM 704 C ASN A 46 -13.308 10.906 4.050 1.00 0.00 C ATOM 705 O ASN A 46 -14.463 10.636 3.716 1.00 0.00 O ATOM 706 CB ASN A 46 -11.122 10.592 2.885 1.00 0.00 C ATOM 707 CG ASN A 46 -10.187 9.583 2.247 1.00 0.00 C ATOM 708 OD1 ASN A 46 -9.602 8.743 2.930 1.00 0.00 O ATOM 709 ND2 ASN A 46 -10.042 9.662 0.930 1.00 0.00 N ATOM 0 H ASN A 46 -13.006 8.814 2.220 1.00 0.00 H new ATOM 0 HA ASN A 46 -11.706 9.671 4.737 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -11.626 11.161 2.104 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.540 11.303 3.471 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -9.426 9.010 0.445 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -10.547 10.375 0.403 1.00 0.00 H new ATOM 716 N THR A 47 -12.974 12.038 4.657 1.00 0.00 N ATOM 717 CA THR A 47 -13.964 13.060 4.975 1.00 0.00 C ATOM 718 C THR A 47 -14.211 13.980 3.785 1.00 0.00 C ATOM 719 O THR A 47 -15.291 14.555 3.647 1.00 0.00 O ATOM 720 CB THR A 47 -13.526 13.909 6.183 1.00 0.00 C ATOM 721 OG1 THR A 47 -12.240 14.490 5.934 1.00 0.00 O ATOM 722 CG2 THR A 47 -13.469 13.064 7.447 1.00 0.00 C ATOM 0 H THR A 47 -12.022 12.272 4.940 1.00 0.00 H new ATOM 0 HA THR A 47 -14.888 12.537 5.222 1.00 0.00 H new ATOM 0 HB THR A 47 -14.261 14.701 6.327 1.00 0.00 H new ATOM 0 HG1 THR A 47 -11.970 15.030 6.706 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.157 13.686 8.286 1.00 0.00 H new ATOM 0 HG22 THR A 47 -14.455 12.647 7.651 1.00 0.00 H new ATOM 0 HG23 THR A 47 -12.753 12.253 7.311 1.00 0.00 H new ATOM 730 N ASP A 48 -13.204 14.118 2.928 1.00 0.00 N ATOM 731 CA ASP A 48 -13.315 14.971 1.749 1.00 0.00 C ATOM 732 C ASP A 48 -14.301 14.385 0.743 1.00 0.00 C ATOM 733 O ASP A 48 -14.740 15.069 -0.183 1.00 0.00 O ATOM 734 CB ASP A 48 -11.947 15.158 1.094 1.00 0.00 C ATOM 735 CG ASP A 48 -11.220 13.844 0.878 1.00 0.00 C ATOM 736 OD1 ASP A 48 -11.882 12.786 0.919 1.00 0.00 O ATOM 737 OD2 ASP A 48 -9.990 13.875 0.666 1.00 0.00 O ATOM 0 H ASP A 48 -12.303 13.651 3.027 1.00 0.00 H new ATOM 0 HA ASP A 48 -13.688 15.943 2.071 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -12.073 15.661 0.135 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -11.335 15.809 1.718 1.00 0.00 H new ATOM 742 N GLY A 49 -14.649 13.116 0.936 1.00 0.00 N ATOM 743 CA GLY A 49 -15.586 12.460 0.041 1.00 0.00 C ATOM 744 C GLY A 49 -14.951 11.335 -0.753 1.00 0.00 C ATOM 745 O GLY A 49 -15.635 10.397 -1.165 1.00 0.00 O ATOM 0 H GLY A 49 -14.300 12.531 1.695 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -16.419 12.064 0.622 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -16.000 13.196 -0.648 1.00 0.00 H new ATOM 749 N SER A 50 -13.643 11.425 -0.973 1.00 0.00 N ATOM 750 CA SER A 50 -12.927 10.402 -1.726 1.00 0.00 C ATOM 751 C SER A 50 -12.648 9.180 -0.858 1.00 0.00 C ATOM 752 O SER A 50 -13.125 9.086 0.272 1.00 0.00 O ATOM 753 CB SER A 50 -11.616 10.959 -2.286 1.00 0.00 C ATOM 754 OG SER A 50 -11.094 11.976 -1.450 1.00 0.00 O ATOM 0 H SER A 50 -13.059 12.193 -0.642 1.00 0.00 H new ATOM 0 HA SER A 50 -13.561 10.097 -2.558 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.887 10.154 -2.382 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.785 11.358 -3.286 1.00 0.00 H new ATOM 0 HG SER A 50 -11.379 11.818 -0.526 1.00 0.00 H new ATOM 760 N THR A 51 -11.874 8.245 -1.400 1.00 0.00 N ATOM 761 CA THR A 51 -11.528 7.021 -0.687 1.00 0.00 C ATOM 762 C THR A 51 -10.290 6.372 -1.301 1.00 0.00 C ATOM 763 O THR A 51 -9.987 6.594 -2.470 1.00 0.00 O ATOM 764 CB THR A 51 -12.698 6.016 -0.720 1.00 0.00 C ATOM 765 OG1 THR A 51 -13.863 6.599 -0.127 1.00 0.00 O ATOM 766 CG2 THR A 51 -12.344 4.732 0.014 1.00 0.00 C ATOM 0 H THR A 51 -11.473 8.313 -2.335 1.00 0.00 H new ATOM 0 HA THR A 51 -11.318 7.290 0.348 1.00 0.00 H new ATOM 0 HB THR A 51 -12.899 5.772 -1.763 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.612 7.417 0.351 1.00 0.00 H new ATOM 0 HG21 THR A 51 -13.189 4.045 -0.027 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.477 4.270 -0.458 1.00 0.00 H new ATOM 0 HG23 THR A 51 -12.112 4.960 1.054 1.00 0.00 H new ATOM 774 N ASP A 52 -9.586 5.559 -0.519 1.00 0.00 N ATOM 775 CA ASP A 52 -8.395 4.869 -1.003 1.00 0.00 C ATOM 776 C ASP A 52 -8.699 3.397 -1.209 1.00 0.00 C ATOM 777 O ASP A 52 -8.684 2.610 -0.262 1.00 0.00 O ATOM 778 CB ASP A 52 -7.241 5.036 -0.012 1.00 0.00 C ATOM 779 CG ASP A 52 -6.855 6.489 0.186 1.00 0.00 C ATOM 780 OD1 ASP A 52 -6.521 7.156 -0.816 1.00 0.00 O ATOM 781 OD2 ASP A 52 -6.888 6.959 1.342 1.00 0.00 O ATOM 0 H ASP A 52 -9.820 5.362 0.454 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.098 5.308 -1.956 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.525 4.604 0.948 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.375 4.478 -0.369 1.00 0.00 H new ATOM 786 N TYR A 53 -8.996 3.033 -2.450 1.00 0.00 N ATOM 787 CA TYR A 53 -9.325 1.656 -2.767 1.00 0.00 C ATOM 788 C TYR A 53 -8.139 0.900 -3.355 1.00 0.00 C ATOM 789 O TYR A 53 -8.047 0.706 -4.566 1.00 0.00 O ATOM 790 CB TYR A 53 -10.502 1.584 -3.737 1.00 0.00 C ATOM 791 CG TYR A 53 -11.805 2.115 -3.181 1.00 0.00 C ATOM 792 CD1 TYR A 53 -12.495 1.422 -2.194 1.00 0.00 C ATOM 793 CD2 TYR A 53 -12.353 3.300 -3.654 1.00 0.00 C ATOM 794 CE1 TYR A 53 -13.693 1.895 -1.695 1.00 0.00 C ATOM 795 CE2 TYR A 53 -13.550 3.781 -3.157 1.00 0.00 C ATOM 796 CZ TYR A 53 -14.216 3.074 -2.178 1.00 0.00 C ATOM 797 OH TYR A 53 -15.408 3.549 -1.683 1.00 0.00 O ATOM 0 H TYR A 53 -9.015 3.670 -3.246 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.599 1.180 -1.826 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -10.250 2.145 -4.637 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -10.646 0.546 -4.038 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -12.088 0.498 -1.811 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -11.836 3.855 -4.423 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -14.217 1.343 -0.929 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -13.961 4.706 -3.534 1.00 0.00 H new ATOM 0 HH TYR A 53 -15.635 4.391 -2.129 1.00 0.00 H new ATOM 807 N GLY A 54 -7.231 0.476 -2.492 1.00 0.00 N ATOM 808 CA GLY A 54 -6.086 -0.276 -2.979 1.00 0.00 C ATOM 809 C GLY A 54 -4.874 -0.284 -2.078 1.00 0.00 C ATOM 810 O GLY A 54 -4.800 0.448 -1.090 1.00 0.00 O ATOM 0 H GLY A 54 -7.259 0.632 -1.484 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.397 -1.307 -3.147 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.793 0.131 -3.947 1.00 0.00 H new ATOM 814 N ILE A 55 -3.904 -1.109 -2.468 1.00 0.00 N ATOM 815 CA ILE A 55 -2.644 -1.227 -1.755 1.00 0.00 C ATOM 816 C ILE A 55 -1.830 0.033 -1.999 1.00 0.00 C ATOM 817 O ILE A 55 -0.923 0.372 -1.238 1.00 0.00 O ATOM 818 CB ILE A 55 -1.834 -2.449 -2.239 1.00 0.00 C ATOM 819 CG1 ILE A 55 -0.631 -2.690 -1.326 1.00 0.00 C ATOM 820 CG2 ILE A 55 -1.381 -2.236 -3.677 1.00 0.00 C ATOM 821 CD1 ILE A 55 0.225 -3.862 -1.753 1.00 0.00 C ATOM 0 H ILE A 55 -3.974 -1.712 -3.288 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.856 -1.358 -0.694 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.472 -3.332 -2.200 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.016 -1.790 -1.303 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.985 -2.860 -0.309 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.810 -3.103 -4.011 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.253 -2.107 -4.318 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.755 -1.346 -3.733 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.059 -3.974 -1.061 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.375 -4.772 -1.748 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.608 -3.685 -2.758 1.00 0.00 H new ATOM 833 N LEU A 56 -2.197 0.735 -3.069 1.00 0.00 N ATOM 834 CA LEU A 56 -1.552 1.981 -3.440 1.00 0.00 C ATOM 835 C LEU A 56 -2.558 3.120 -3.309 1.00 0.00 C ATOM 836 O LEU A 56 -2.274 4.260 -3.677 1.00 0.00 O ATOM 837 CB LEU A 56 -1.007 1.917 -4.878 1.00 0.00 C ATOM 838 CG LEU A 56 0.504 2.175 -5.029 1.00 0.00 C ATOM 839 CD1 LEU A 56 0.959 3.299 -4.109 1.00 0.00 C ATOM 840 CD2 LEU A 56 1.286 0.902 -4.742 1.00 0.00 C ATOM 0 H LEU A 56 -2.948 0.452 -3.698 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.708 2.154 -2.773 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.232 0.933 -5.289 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.544 2.647 -5.484 1.00 0.00 H new ATOM 0 HG LEU A 56 0.698 2.482 -6.057 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.029 3.461 -4.235 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.421 4.214 -4.359 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.752 3.028 -3.074 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.353 1.098 -4.852 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.081 0.571 -3.724 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.985 0.124 -5.444 1.00 0.00 H new ATOM 852 N GLN A 57 -3.737 2.792 -2.768 1.00 0.00 N ATOM 853 CA GLN A 57 -4.806 3.767 -2.559 1.00 0.00 C ATOM 854 C GLN A 57 -5.380 4.283 -3.875 1.00 0.00 C ATOM 855 O GLN A 57 -5.119 5.423 -4.261 1.00 0.00 O ATOM 856 CB GLN A 57 -4.297 4.940 -1.717 1.00 0.00 C ATOM 857 CG GLN A 57 -3.743 4.523 -0.365 1.00 0.00 C ATOM 858 CD GLN A 57 -3.716 5.665 0.632 1.00 0.00 C ATOM 859 OE1 GLN A 57 -4.263 5.559 1.730 1.00 0.00 O ATOM 860 NE2 GLN A 57 -3.079 6.768 0.253 1.00 0.00 N ATOM 0 H GLN A 57 -3.973 1.847 -2.465 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.609 3.256 -2.027 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.520 5.465 -2.273 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.112 5.647 -1.564 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -4.348 3.710 0.036 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.733 4.135 -0.495 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.639 6.813 -0.666 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.030 7.570 0.881 1.00 0.00 H new ATOM 869 N ILE A 58 -6.165 3.453 -4.570 1.00 0.00 N ATOM 870 CA ILE A 58 -6.751 3.872 -5.830 1.00 0.00 C ATOM 871 C ILE A 58 -8.048 4.615 -5.575 1.00 0.00 C ATOM 872 O ILE A 58 -9.109 4.005 -5.442 1.00 0.00 O ATOM 873 CB ILE A 58 -7.017 2.674 -6.760 1.00 0.00 C ATOM 874 CG1 ILE A 58 -5.846 1.687 -6.708 1.00 0.00 C ATOM 875 CG2 ILE A 58 -7.254 3.151 -8.185 1.00 0.00 C ATOM 876 CD1 ILE A 58 -4.490 2.336 -6.902 1.00 0.00 C ATOM 0 H ILE A 58 -6.402 2.504 -4.281 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.037 4.531 -6.324 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.915 2.160 -6.417 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.858 1.173 -5.747 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.988 0.928 -7.477 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.440 2.292 -8.830 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.117 3.816 -8.207 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.374 3.687 -8.540 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.712 1.574 -6.852 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.457 2.826 -7.875 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.325 3.075 -6.118 1.00 0.00 H new ATOM 888 N ASN A 59 -7.958 5.937 -5.503 1.00 0.00 N ATOM 889 CA ASN A 59 -9.127 6.759 -5.260 1.00 0.00 C ATOM 890 C ASN A 59 -10.119 6.622 -6.399 1.00 0.00 C ATOM 891 O ASN A 59 -9.974 7.262 -7.438 1.00 0.00 O ATOM 892 CB ASN A 59 -8.720 8.224 -5.092 1.00 0.00 C ATOM 893 CG ASN A 59 -9.899 9.119 -4.766 1.00 0.00 C ATOM 894 OD1 ASN A 59 -10.952 8.645 -4.336 1.00 0.00 O ATOM 895 ND2 ASN A 59 -9.729 10.419 -4.969 1.00 0.00 N ATOM 0 H ASN A 59 -7.088 6.458 -5.610 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.603 6.418 -4.341 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.977 8.303 -4.298 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.245 8.573 -6.009 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.488 11.070 -4.767 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.839 10.767 -5.327 1.00 0.00 H new ATOM 902 N SER A 60 -11.129 5.785 -6.201 1.00 0.00 N ATOM 903 CA SER A 60 -12.151 5.567 -7.221 1.00 0.00 C ATOM 904 C SER A 60 -12.899 6.862 -7.551 1.00 0.00 C ATOM 905 O SER A 60 -13.717 6.894 -8.470 1.00 0.00 O ATOM 906 CB SER A 60 -13.144 4.501 -6.756 1.00 0.00 C ATOM 907 OG SER A 60 -14.121 5.057 -5.894 1.00 0.00 O ATOM 0 H SER A 60 -11.264 5.246 -5.346 1.00 0.00 H new ATOM 0 HA SER A 60 -11.648 5.225 -8.125 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.631 4.051 -7.621 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.611 3.703 -6.240 1.00 0.00 H new ATOM 0 HG SER A 60 -15.015 4.871 -6.250 1.00 0.00 H new ATOM 913 N ARG A 61 -12.613 7.927 -6.804 1.00 0.00 N ATOM 914 CA ARG A 61 -13.259 9.217 -7.031 1.00 0.00 C ATOM 915 C ARG A 61 -12.457 10.059 -8.017 1.00 0.00 C ATOM 916 O ARG A 61 -13.013 10.634 -8.951 1.00 0.00 O ATOM 917 CB ARG A 61 -13.421 9.971 -5.710 1.00 0.00 C ATOM 918 CG ARG A 61 -14.208 11.265 -5.838 1.00 0.00 C ATOM 919 CD ARG A 61 -15.700 11.030 -5.663 1.00 0.00 C ATOM 920 NE ARG A 61 -16.161 11.414 -4.332 1.00 0.00 N ATOM 921 CZ ARG A 61 -16.794 12.553 -4.071 1.00 0.00 C ATOM 922 NH1 ARG A 61 -17.040 13.418 -5.046 1.00 0.00 N ATOM 923 NH2 ARG A 61 -17.184 12.829 -2.833 1.00 0.00 N ATOM 0 H ARG A 61 -11.939 7.922 -6.038 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.245 9.032 -7.457 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.920 9.322 -4.990 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.434 10.195 -5.306 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -13.861 11.978 -5.091 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -14.021 11.711 -6.815 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -16.247 11.599 -6.415 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -15.924 9.977 -5.835 1.00 0.00 H new ATOM 0 HE ARG A 61 -15.987 10.772 -3.559 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -16.743 13.210 -5.999 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -17.526 14.291 -4.842 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -16.998 12.167 -2.080 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -17.670 13.704 -2.634 1.00 0.00 H new ATOM 937 N TRP A 62 -11.146 10.123 -7.805 1.00 0.00 N ATOM 938 CA TRP A 62 -10.268 10.891 -8.679 1.00 0.00 C ATOM 939 C TRP A 62 -9.720 10.012 -9.798 1.00 0.00 C ATOM 940 O TRP A 62 -9.142 10.508 -10.765 1.00 0.00 O ATOM 941 CB TRP A 62 -9.113 11.498 -7.879 1.00 0.00 C ATOM 942 CG TRP A 62 -9.320 12.942 -7.531 1.00 0.00 C ATOM 943 CD1 TRP A 62 -9.944 13.891 -8.290 1.00 0.00 C ATOM 944 CD2 TRP A 62 -8.896 13.605 -6.334 1.00 0.00 C ATOM 945 NE1 TRP A 62 -9.936 15.099 -7.638 1.00 0.00 N ATOM 946 CE2 TRP A 62 -9.299 14.950 -6.435 1.00 0.00 C ATOM 947 CE3 TRP A 62 -8.216 13.190 -5.184 1.00 0.00 C ATOM 948 CZ2 TRP A 62 -9.044 15.881 -5.431 1.00 0.00 C ATOM 949 CZ3 TRP A 62 -7.964 14.116 -4.189 1.00 0.00 C ATOM 950 CH2 TRP A 62 -8.377 15.448 -4.318 1.00 0.00 C ATOM 0 H TRP A 62 -10.669 9.652 -7.036 1.00 0.00 H new ATOM 0 HA TRP A 62 -10.852 11.698 -9.122 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -8.978 10.927 -6.960 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -8.192 11.399 -8.454 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -10.380 13.716 -9.262 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -10.339 15.967 -7.992 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -7.894 12.165 -5.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -9.362 16.909 -5.528 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -7.440 13.807 -3.297 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -8.165 16.147 -3.523 1.00 0.00 H new ATOM 961 N TRP A 63 -9.914 8.703 -9.659 1.00 0.00 N ATOM 962 CA TRP A 63 -9.450 7.742 -10.653 1.00 0.00 C ATOM 963 C TRP A 63 -10.470 6.626 -10.839 1.00 0.00 C ATOM 964 O TRP A 63 -11.258 6.346 -9.939 1.00 0.00 O ATOM 965 CB TRP A 63 -8.116 7.116 -10.230 1.00 0.00 C ATOM 966 CG TRP A 63 -7.055 8.108 -9.873 1.00 0.00 C ATOM 967 CD1 TRP A 63 -6.453 8.281 -8.660 1.00 0.00 C ATOM 968 CD2 TRP A 63 -6.467 9.058 -10.753 1.00 0.00 C ATOM 969 NE1 TRP A 63 -5.518 9.287 -8.741 1.00 0.00 N ATOM 970 CE2 TRP A 63 -5.511 9.781 -10.020 1.00 0.00 C ATOM 971 CE3 TRP A 63 -6.662 9.363 -12.095 1.00 0.00 C ATOM 972 CZ2 TRP A 63 -4.748 10.796 -10.594 1.00 0.00 C ATOM 973 CZ3 TRP A 63 -5.915 10.364 -12.665 1.00 0.00 C ATOM 974 CH2 TRP A 63 -4.965 11.076 -11.917 1.00 0.00 C ATOM 0 H TRP A 63 -10.392 8.283 -8.862 1.00 0.00 H new ATOM 0 HA TRP A 63 -9.318 8.283 -11.590 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -8.290 6.464 -9.374 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -7.750 6.487 -11.041 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -6.677 7.713 -7.769 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -4.927 9.612 -7.976 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -7.390 8.821 -12.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -4.014 11.341 -10.018 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -6.061 10.608 -13.707 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -4.394 11.859 -12.393 1.00 0.00 H new ATOM 985 N CYS A 64 -10.403 5.970 -11.994 1.00 0.00 N ATOM 986 CA CYS A 64 -11.276 4.840 -12.327 1.00 0.00 C ATOM 987 C CYS A 64 -12.754 5.093 -12.045 1.00 0.00 C ATOM 988 O CYS A 64 -13.127 5.799 -11.111 1.00 0.00 O ATOM 989 CB CYS A 64 -10.818 3.583 -11.577 1.00 0.00 C ATOM 990 SG CYS A 64 -11.523 3.395 -9.903 1.00 0.00 S ATOM 0 H CYS A 64 -9.739 6.206 -12.732 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.187 4.700 -13.404 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -11.083 2.707 -12.169 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -9.731 3.599 -11.499 1.00 0.00 H new ATOM 995 N ASN A 65 -13.599 4.486 -12.872 1.00 0.00 N ATOM 996 CA ASN A 65 -15.044 4.619 -12.723 1.00 0.00 C ATOM 997 C ASN A 65 -15.615 3.421 -11.969 1.00 0.00 C ATOM 998 O ASN A 65 -15.725 2.324 -12.519 1.00 0.00 O ATOM 999 CB ASN A 65 -15.712 4.739 -14.094 1.00 0.00 C ATOM 1000 CG ASN A 65 -16.986 5.562 -14.048 1.00 0.00 C ATOM 1001 OD1 ASN A 65 -17.473 5.914 -12.973 1.00 0.00 O ATOM 1002 ND2 ASN A 65 -17.531 5.873 -15.218 1.00 0.00 N ATOM 0 H ASN A 65 -13.308 3.897 -13.652 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.248 5.524 -12.151 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.014 5.194 -14.796 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -15.940 3.743 -14.472 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -18.388 6.425 -15.251 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -17.093 5.560 -16.084 1.00 0.00 H new ATOM 1009 N ASP A 66 -15.970 3.638 -10.708 1.00 0.00 N ATOM 1010 CA ASP A 66 -16.526 2.575 -9.875 1.00 0.00 C ATOM 1011 C ASP A 66 -18.021 2.406 -10.124 1.00 0.00 C ATOM 1012 O ASP A 66 -18.594 1.357 -9.830 1.00 0.00 O ATOM 1013 CB ASP A 66 -16.271 2.869 -8.395 1.00 0.00 C ATOM 1014 CG ASP A 66 -16.759 4.243 -7.977 1.00 0.00 C ATOM 1015 OD1 ASP A 66 -17.306 4.969 -8.833 1.00 0.00 O ATOM 1016 OD2 ASP A 66 -16.593 4.593 -6.789 1.00 0.00 O ATOM 0 H ASP A 66 -15.883 4.540 -10.239 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.028 1.644 -10.144 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -16.767 2.112 -7.788 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.203 2.790 -8.192 1.00 0.00 H new ATOM 1021 N GLY A 67 -18.646 3.445 -10.667 1.00 0.00 N ATOM 1022 CA GLY A 67 -20.070 3.392 -10.949 1.00 0.00 C ATOM 1023 C GLY A 67 -20.918 3.604 -9.709 1.00 0.00 C ATOM 1024 O GLY A 67 -22.117 3.864 -9.806 1.00 0.00 O ATOM 0 H GLY A 67 -18.192 4.324 -10.917 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -20.319 4.152 -11.689 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.314 2.426 -11.391 1.00 0.00 H new ATOM 1028 N ARG A 68 -20.291 3.501 -8.539 1.00 0.00 N ATOM 1029 CA ARG A 68 -20.995 3.689 -7.276 1.00 0.00 C ATOM 1030 C ARG A 68 -20.811 5.116 -6.772 1.00 0.00 C ATOM 1031 O ARG A 68 -21.197 5.447 -5.650 1.00 0.00 O ATOM 1032 CB ARG A 68 -20.494 2.693 -6.228 1.00 0.00 C ATOM 1033 CG ARG A 68 -18.998 2.776 -5.975 1.00 0.00 C ATOM 1034 CD ARG A 68 -18.382 1.395 -5.813 1.00 0.00 C ATOM 1035 NE ARG A 68 -19.009 0.640 -4.730 1.00 0.00 N ATOM 1036 CZ ARG A 68 -19.666 -0.501 -4.911 1.00 0.00 C ATOM 1037 NH1 ARG A 68 -19.783 -1.018 -6.127 1.00 0.00 N ATOM 1038 NH2 ARG A 68 -20.208 -1.127 -3.875 1.00 0.00 N ATOM 0 H ARG A 68 -19.298 3.289 -8.441 1.00 0.00 H new ATOM 0 HA ARG A 68 -22.057 3.511 -7.446 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -21.023 2.868 -5.291 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -20.744 1.682 -6.551 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -18.516 3.295 -6.803 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -18.812 3.366 -5.078 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -18.482 0.841 -6.747 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -17.315 1.495 -5.615 1.00 0.00 H new ATOM 0 HE ARG A 68 -18.938 1.010 -3.782 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -19.368 -0.540 -6.927 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -20.288 -1.894 -6.262 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -20.121 -0.733 -2.938 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -20.712 -2.003 -4.015 1.00 0.00 H new ATOM 1052 N THR A 69 -20.221 5.956 -7.614 1.00 0.00 N ATOM 1053 CA THR A 69 -19.982 7.352 -7.271 1.00 0.00 C ATOM 1054 C THR A 69 -20.884 8.270 -8.094 1.00 0.00 C ATOM 1055 O THR A 69 -21.059 8.061 -9.294 1.00 0.00 O ATOM 1056 CB THR A 69 -18.507 7.739 -7.509 1.00 0.00 C ATOM 1057 OG1 THR A 69 -17.659 6.991 -6.630 1.00 0.00 O ATOM 1058 CG2 THR A 69 -18.285 9.228 -7.284 1.00 0.00 C ATOM 0 H THR A 69 -19.898 5.692 -8.545 1.00 0.00 H new ATOM 0 HA THR A 69 -20.211 7.473 -6.212 1.00 0.00 H new ATOM 0 HB THR A 69 -18.261 7.507 -8.545 1.00 0.00 H new ATOM 0 HG1 THR A 69 -17.754 6.034 -6.820 1.00 0.00 H new ATOM 0 HG21 THR A 69 -17.237 9.470 -7.459 1.00 0.00 H new ATOM 0 HG22 THR A 69 -18.909 9.797 -7.973 1.00 0.00 H new ATOM 0 HG23 THR A 69 -18.550 9.484 -6.258 1.00 0.00 H new ATOM 1066 N PRO A 70 -21.473 9.300 -7.457 1.00 0.00 N ATOM 1067 CA PRO A 70 -22.363 10.248 -8.138 1.00 0.00 C ATOM 1068 C PRO A 70 -21.779 10.766 -9.450 1.00 0.00 C ATOM 1069 O PRO A 70 -22.509 11.254 -10.312 1.00 0.00 O ATOM 1070 CB PRO A 70 -22.500 11.386 -7.128 1.00 0.00 C ATOM 1071 CG PRO A 70 -22.312 10.734 -5.802 1.00 0.00 C ATOM 1072 CD PRO A 70 -21.325 9.619 -6.021 1.00 0.00 C ATOM 0 HA PRO A 70 -23.310 9.786 -8.418 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -21.752 12.160 -7.299 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -23.477 11.865 -7.200 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -21.938 11.447 -5.067 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -23.257 10.348 -5.420 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -20.308 9.931 -5.782 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -21.549 8.756 -5.394 1.00 0.00 H new ATOM 1080 N GLY A 71 -20.460 10.657 -9.596 1.00 0.00 N ATOM 1081 CA GLY A 71 -19.812 11.120 -10.809 1.00 0.00 C ATOM 1082 C GLY A 71 -18.441 10.504 -11.016 1.00 0.00 C ATOM 1083 O GLY A 71 -18.274 9.627 -11.865 1.00 0.00 O ATOM 0 H GLY A 71 -19.832 10.258 -8.898 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -20.444 10.885 -11.665 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -19.716 12.205 -10.772 1.00 0.00 H new ATOM 1087 N SER A 72 -17.459 10.984 -10.253 1.00 0.00 N ATOM 1088 CA SER A 72 -16.081 10.499 -10.360 1.00 0.00 C ATOM 1089 C SER A 72 -15.441 11.020 -11.644 1.00 0.00 C ATOM 1090 O SER A 72 -16.121 11.202 -12.655 1.00 0.00 O ATOM 1091 CB SER A 72 -16.035 8.969 -10.329 1.00 0.00 C ATOM 1092 OG SER A 72 -14.709 8.496 -10.498 1.00 0.00 O ATOM 0 H SER A 72 -17.592 11.712 -9.551 1.00 0.00 H new ATOM 0 HA SER A 72 -15.519 10.873 -9.504 1.00 0.00 H new ATOM 0 HB2 SER A 72 -16.435 8.609 -9.381 1.00 0.00 H new ATOM 0 HB3 SER A 72 -16.671 8.567 -11.117 1.00 0.00 H new ATOM 0 HG SER A 72 -14.458 7.944 -9.728 1.00 0.00 H new ATOM 1098 N ARG A 73 -14.137 11.272 -11.598 1.00 0.00 N ATOM 1099 CA ARG A 73 -13.418 11.788 -12.759 1.00 0.00 C ATOM 1100 C ARG A 73 -13.269 10.728 -13.848 1.00 0.00 C ATOM 1101 O ARG A 73 -13.472 11.013 -15.029 1.00 0.00 O ATOM 1102 CB ARG A 73 -12.038 12.297 -12.340 1.00 0.00 C ATOM 1103 CG ARG A 73 -11.695 13.664 -12.909 1.00 0.00 C ATOM 1104 CD ARG A 73 -12.118 14.781 -11.967 1.00 0.00 C ATOM 1105 NE ARG A 73 -12.299 16.049 -12.670 1.00 0.00 N ATOM 1106 CZ ARG A 73 -11.336 16.952 -12.821 1.00 0.00 C ATOM 1107 NH1 ARG A 73 -10.127 16.728 -12.322 1.00 0.00 N ATOM 1108 NH2 ARG A 73 -11.580 18.082 -13.473 1.00 0.00 N ATOM 0 H ARG A 73 -13.557 11.128 -10.772 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.003 12.612 -13.169 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -11.992 12.344 -11.252 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -11.283 11.579 -12.660 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -10.622 13.725 -13.089 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -12.188 13.793 -13.873 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -13.049 14.505 -11.472 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -11.366 14.902 -11.187 1.00 0.00 H new ATOM 0 HE ARG A 73 -13.216 16.252 -13.067 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -9.935 15.861 -11.821 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -9.390 17.423 -12.440 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -12.508 18.258 -13.859 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -10.840 18.774 -13.588 1.00 0.00 H new ATOM 1122 N ASN A 74 -12.897 9.515 -13.447 1.00 0.00 N ATOM 1123 CA ASN A 74 -12.703 8.420 -14.395 1.00 0.00 C ATOM 1124 C ASN A 74 -11.543 8.754 -15.319 1.00 0.00 C ATOM 1125 O ASN A 74 -11.486 8.316 -16.468 1.00 0.00 O ATOM 1126 CB ASN A 74 -13.977 8.171 -15.209 1.00 0.00 C ATOM 1127 CG ASN A 74 -13.927 6.866 -15.980 1.00 0.00 C ATOM 1128 OD1 ASN A 74 -13.209 5.938 -15.608 1.00 0.00 O ATOM 1129 ND2 ASN A 74 -14.693 6.789 -17.062 1.00 0.00 N ATOM 0 H ASN A 74 -12.724 9.265 -12.473 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.476 7.509 -13.841 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.836 8.161 -14.539 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.126 8.996 -15.906 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.702 5.936 -17.621 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -15.273 7.583 -17.334 1.00 0.00 H new ATOM 1136 N LEU A 75 -10.610 9.526 -14.779 1.00 0.00 N ATOM 1137 CA LEU A 75 -9.419 9.934 -15.490 1.00 0.00 C ATOM 1138 C LEU A 75 -8.652 8.737 -15.974 1.00 0.00 C ATOM 1139 O LEU A 75 -8.475 8.498 -17.169 1.00 0.00 O ATOM 1140 CB LEU A 75 -8.544 10.689 -14.513 1.00 0.00 C ATOM 1141 CG LEU A 75 -8.726 12.205 -14.513 1.00 0.00 C ATOM 1142 CD1 LEU A 75 -7.876 12.854 -13.432 1.00 0.00 C ATOM 1143 CD2 LEU A 75 -8.390 12.787 -15.879 1.00 0.00 C ATOM 0 H LEU A 75 -10.664 9.887 -13.826 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.698 10.545 -16.348 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.743 10.315 -13.508 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.501 10.465 -14.736 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.773 12.419 -14.296 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.023 13.934 -13.453 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.170 12.466 -12.457 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.825 12.628 -13.611 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.526 13.868 -15.857 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.354 12.557 -16.128 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.049 12.353 -16.631 1.00 0.00 H new ATOM 1155 N CYS A 76 -8.227 7.996 -14.988 1.00 0.00 N ATOM 1156 CA CYS A 76 -7.489 6.785 -15.185 1.00 0.00 C ATOM 1157 C CYS A 76 -8.235 5.896 -16.171 1.00 0.00 C ATOM 1158 O CYS A 76 -7.634 5.208 -16.996 1.00 0.00 O ATOM 1159 CB CYS A 76 -7.349 6.116 -13.841 1.00 0.00 C ATOM 1160 SG CYS A 76 -5.671 5.532 -13.456 1.00 0.00 S ATOM 0 H CYS A 76 -8.389 8.224 -14.007 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.500 6.982 -15.599 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.662 6.817 -13.067 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -8.033 5.268 -13.799 1.00 0.00 H new ATOM 1165 N ASN A 77 -9.563 5.929 -16.063 1.00 0.00 N ATOM 1166 CA ASN A 77 -10.430 5.139 -16.927 1.00 0.00 C ATOM 1167 C ASN A 77 -10.065 3.672 -16.810 1.00 0.00 C ATOM 1168 O ASN A 77 -9.843 2.986 -17.808 1.00 0.00 O ATOM 1169 CB ASN A 77 -10.310 5.602 -18.381 1.00 0.00 C ATOM 1170 CG ASN A 77 -11.593 5.394 -19.162 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -12.206 4.328 -19.099 1.00 0.00 O ATOM 1172 ND2 ASN A 77 -12.005 6.414 -19.905 1.00 0.00 N ATOM 0 H ASN A 77 -10.061 6.499 -15.380 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.464 5.278 -16.611 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -10.042 6.658 -18.402 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -9.500 5.058 -18.867 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -12.861 6.332 -20.453 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -11.465 7.279 -19.927 1.00 0.00 H new ATOM 1179 N ILE A 78 -9.985 3.205 -15.572 1.00 0.00 N ATOM 1180 CA ILE A 78 -9.622 1.827 -15.303 1.00 0.00 C ATOM 1181 C ILE A 78 -10.675 1.125 -14.455 1.00 0.00 C ATOM 1182 O ILE A 78 -11.436 1.772 -13.739 1.00 0.00 O ATOM 1183 CB ILE A 78 -8.259 1.751 -14.582 1.00 0.00 C ATOM 1184 CG1 ILE A 78 -8.451 1.511 -13.074 1.00 0.00 C ATOM 1185 CG2 ILE A 78 -7.476 3.027 -14.838 1.00 0.00 C ATOM 1186 CD1 ILE A 78 -7.413 2.179 -12.197 1.00 0.00 C ATOM 0 H ILE A 78 -10.168 3.764 -14.739 1.00 0.00 H new ATOM 0 HA ILE A 78 -9.555 1.321 -16.266 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.693 0.908 -14.978 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.439 1.870 -12.784 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -8.433 0.438 -12.884 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.514 2.972 -14.328 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -7.313 3.145 -15.909 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -8.038 3.881 -14.460 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.624 1.958 -11.151 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.423 1.803 -12.455 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.444 3.257 -12.353 1.00 0.00 H new ATOM 1198 N PRO A 79 -10.716 -0.215 -14.494 1.00 0.00 N ATOM 1199 CA PRO A 79 -11.651 -0.987 -13.692 1.00 0.00 C ATOM 1200 C PRO A 79 -11.154 -1.055 -12.255 1.00 0.00 C ATOM 1201 O PRO A 79 -10.133 -1.684 -11.974 1.00 0.00 O ATOM 1202 CB PRO A 79 -11.647 -2.380 -14.343 1.00 0.00 C ATOM 1203 CG PRO A 79 -10.716 -2.292 -15.515 1.00 0.00 C ATOM 1204 CD PRO A 79 -9.846 -1.088 -15.284 1.00 0.00 C ATOM 0 HA PRO A 79 -12.651 -0.555 -13.660 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -11.312 -3.139 -13.636 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -12.650 -2.663 -14.663 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -10.112 -3.196 -15.599 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -11.274 -2.194 -16.446 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -8.933 -1.344 -14.747 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -9.544 -0.620 -16.221 1.00 0.00 H new ATOM 1212 N CYS A 80 -11.858 -0.387 -11.351 1.00 0.00 N ATOM 1213 CA CYS A 80 -11.461 -0.352 -9.949 1.00 0.00 C ATOM 1214 C CYS A 80 -11.429 -1.751 -9.337 1.00 0.00 C ATOM 1215 O CYS A 80 -10.383 -2.206 -8.880 1.00 0.00 O ATOM 1216 CB CYS A 80 -12.402 0.566 -9.167 1.00 0.00 C ATOM 1217 SG CYS A 80 -12.991 2.005 -10.125 1.00 0.00 S ATOM 0 H CYS A 80 -12.707 0.138 -11.563 1.00 0.00 H new ATOM 0 HA CYS A 80 -10.448 0.045 -9.891 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -13.263 -0.012 -8.831 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -11.889 0.921 -8.274 1.00 0.00 H new ATOM 1222 N SER A 81 -12.576 -2.423 -9.317 1.00 0.00 N ATOM 1223 CA SER A 81 -12.668 -3.768 -8.747 1.00 0.00 C ATOM 1224 C SER A 81 -11.611 -4.708 -9.334 1.00 0.00 C ATOM 1225 O SER A 81 -11.243 -5.703 -8.709 1.00 0.00 O ATOM 1226 CB SER A 81 -14.064 -4.346 -8.984 1.00 0.00 C ATOM 1227 OG SER A 81 -14.538 -4.020 -10.279 1.00 0.00 O ATOM 0 H SER A 81 -13.455 -2.061 -9.688 1.00 0.00 H new ATOM 0 HA SER A 81 -12.484 -3.684 -7.676 1.00 0.00 H new ATOM 0 HB2 SER A 81 -14.037 -5.429 -8.865 1.00 0.00 H new ATOM 0 HB3 SER A 81 -14.753 -3.960 -8.233 1.00 0.00 H new ATOM 0 HG SER A 81 -15.431 -4.402 -10.406 1.00 0.00 H new ATOM 1233 N ALA A 82 -11.132 -4.393 -10.535 1.00 0.00 N ATOM 1234 CA ALA A 82 -10.124 -5.218 -11.197 1.00 0.00 C ATOM 1235 C ALA A 82 -8.785 -5.166 -10.466 1.00 0.00 C ATOM 1236 O ALA A 82 -7.836 -5.859 -10.834 1.00 0.00 O ATOM 1237 CB ALA A 82 -9.949 -4.782 -12.643 1.00 0.00 C ATOM 0 H ALA A 82 -11.425 -3.575 -11.069 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.476 -6.249 -11.175 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -9.195 -5.406 -13.122 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -10.896 -4.887 -13.172 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.630 -3.740 -12.673 1.00 0.00 H new ATOM 1243 N LEU A 83 -8.716 -4.343 -9.426 1.00 0.00 N ATOM 1244 CA LEU A 83 -7.496 -4.202 -8.639 1.00 0.00 C ATOM 1245 C LEU A 83 -7.665 -4.825 -7.261 1.00 0.00 C ATOM 1246 O LEU A 83 -6.691 -5.026 -6.535 1.00 0.00 O ATOM 1247 CB LEU A 83 -7.110 -2.724 -8.504 1.00 0.00 C ATOM 1248 CG LEU A 83 -7.759 -1.978 -7.333 1.00 0.00 C ATOM 1249 CD1 LEU A 83 -6.806 -1.906 -6.151 1.00 0.00 C ATOM 1250 CD2 LEU A 83 -8.183 -0.582 -7.763 1.00 0.00 C ATOM 0 H LEU A 83 -9.492 -3.762 -9.108 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.696 -4.728 -9.161 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.027 -2.657 -8.399 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -7.373 -2.212 -9.429 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.647 -2.529 -7.023 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.285 -1.373 -5.330 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.550 -2.915 -5.828 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -5.899 -1.378 -6.446 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.642 -0.065 -6.920 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -7.309 -0.024 -8.099 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.902 -0.655 -8.579 1.00 0.00 H new ATOM 1262 N LEU A 84 -8.909 -5.117 -6.899 1.00 0.00 N ATOM 1263 CA LEU A 84 -9.212 -5.703 -5.602 1.00 0.00 C ATOM 1264 C LEU A 84 -9.477 -7.199 -5.720 1.00 0.00 C ATOM 1265 O LEU A 84 -10.348 -7.744 -5.040 1.00 0.00 O ATOM 1266 CB LEU A 84 -10.420 -4.992 -4.996 1.00 0.00 C ATOM 1267 CG LEU A 84 -10.552 -3.526 -5.403 1.00 0.00 C ATOM 1268 CD1 LEU A 84 -12.002 -3.079 -5.345 1.00 0.00 C ATOM 1269 CD2 LEU A 84 -9.681 -2.648 -4.519 1.00 0.00 C ATOM 0 H LEU A 84 -9.725 -4.956 -7.489 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.349 -5.574 -4.949 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -11.325 -5.522 -5.291 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.355 -5.052 -3.910 1.00 0.00 H new ATOM 0 HG LEU A 84 -10.209 -3.424 -6.432 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -12.072 -2.032 -5.639 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.598 -3.687 -6.025 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -12.379 -3.197 -4.329 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.787 -1.607 -4.823 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.992 -2.756 -3.480 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.639 -2.951 -4.620 1.00 0.00 H new ATOM 1281 N SER A 85 -8.707 -7.859 -6.576 1.00 0.00 N ATOM 1282 CA SER A 85 -8.842 -9.299 -6.774 1.00 0.00 C ATOM 1283 C SER A 85 -7.495 -9.981 -6.630 1.00 0.00 C ATOM 1284 O SER A 85 -7.174 -10.934 -7.343 1.00 0.00 O ATOM 1285 CB SER A 85 -9.460 -9.606 -8.140 1.00 0.00 C ATOM 1286 OG SER A 85 -10.778 -9.094 -8.231 1.00 0.00 O ATOM 0 H SER A 85 -7.982 -7.421 -7.145 1.00 0.00 H new ATOM 0 HA SER A 85 -9.511 -9.689 -6.007 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.843 -9.173 -8.927 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.473 -10.684 -8.303 1.00 0.00 H new ATOM 0 HG SER A 85 -11.150 -9.302 -9.114 1.00 0.00 H new ATOM 1292 N SER A 86 -6.714 -9.450 -5.708 1.00 0.00 N ATOM 1293 CA SER A 86 -5.370 -9.944 -5.425 1.00 0.00 C ATOM 1294 C SER A 86 -4.481 -9.605 -6.599 1.00 0.00 C ATOM 1295 O SER A 86 -3.477 -10.265 -6.866 1.00 0.00 O ATOM 1296 CB SER A 86 -5.379 -11.456 -5.176 1.00 0.00 C ATOM 1297 OG SER A 86 -5.264 -11.745 -3.794 1.00 0.00 O ATOM 0 H SER A 86 -6.992 -8.658 -5.128 1.00 0.00 H new ATOM 0 HA SER A 86 -4.991 -9.469 -4.520 1.00 0.00 H new ATOM 0 HB2 SER A 86 -6.302 -11.886 -5.565 1.00 0.00 H new ATOM 0 HB3 SER A 86 -4.556 -11.922 -5.718 1.00 0.00 H new ATOM 0 HG SER A 86 -5.274 -12.716 -3.661 1.00 0.00 H new ATOM 1303 N ASP A 87 -4.906 -8.580 -7.317 1.00 0.00 N ATOM 1304 CA ASP A 87 -4.225 -8.121 -8.505 1.00 0.00 C ATOM 1305 C ASP A 87 -3.869 -6.643 -8.402 1.00 0.00 C ATOM 1306 O ASP A 87 -4.751 -5.791 -8.308 1.00 0.00 O ATOM 1307 CB ASP A 87 -5.160 -8.349 -9.681 1.00 0.00 C ATOM 1308 CG ASP A 87 -4.464 -8.227 -11.022 1.00 0.00 C ATOM 1309 OD1 ASP A 87 -3.382 -8.830 -11.187 1.00 0.00 O ATOM 1310 OD2 ASP A 87 -5.000 -7.529 -11.908 1.00 0.00 O ATOM 0 H ASP A 87 -5.741 -8.041 -7.086 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.292 -8.670 -8.632 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.605 -9.340 -9.598 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.976 -7.628 -9.634 1.00 0.00 H new ATOM 1315 N ILE A 88 -2.575 -6.338 -8.431 1.00 0.00 N ATOM 1316 CA ILE A 88 -2.124 -4.955 -8.350 1.00 0.00 C ATOM 1317 C ILE A 88 -2.064 -4.318 -9.729 1.00 0.00 C ATOM 1318 O ILE A 88 -1.790 -3.131 -9.853 1.00 0.00 O ATOM 1319 CB ILE A 88 -0.737 -4.826 -7.688 1.00 0.00 C ATOM 1320 CG1 ILE A 88 0.101 -6.083 -7.933 1.00 0.00 C ATOM 1321 CG2 ILE A 88 -0.882 -4.554 -6.201 1.00 0.00 C ATOM 1322 CD1 ILE A 88 1.586 -5.863 -7.744 1.00 0.00 C ATOM 0 H ILE A 88 -1.826 -7.026 -8.509 1.00 0.00 H new ATOM 0 HA ILE A 88 -2.855 -4.436 -7.730 1.00 0.00 H new ATOM 0 HB ILE A 88 -0.217 -3.982 -8.141 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.231 -6.870 -7.255 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.080 -6.439 -8.947 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.106 -4.466 -5.749 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.433 -3.625 -6.053 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.423 -5.376 -5.732 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.119 -6.795 -7.933 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.932 -5.099 -8.440 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.778 -5.536 -6.722 1.00 0.00 H new ATOM 1334 N THR A 89 -2.304 -5.114 -10.766 1.00 0.00 N ATOM 1335 CA THR A 89 -2.262 -4.618 -12.136 1.00 0.00 C ATOM 1336 C THR A 89 -3.079 -3.339 -12.296 1.00 0.00 C ATOM 1337 O THR A 89 -2.561 -2.320 -12.746 1.00 0.00 O ATOM 1338 CB THR A 89 -2.782 -5.671 -13.132 1.00 0.00 C ATOM 1339 OG1 THR A 89 -2.227 -6.955 -12.821 1.00 0.00 O ATOM 1340 CG2 THR A 89 -2.420 -5.291 -14.560 1.00 0.00 C ATOM 0 H THR A 89 -2.530 -6.105 -10.683 1.00 0.00 H new ATOM 0 HA THR A 89 -1.216 -4.402 -12.354 1.00 0.00 H new ATOM 0 HB THR A 89 -3.868 -5.713 -13.048 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.563 -7.620 -13.458 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.798 -6.050 -15.245 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.866 -4.327 -14.804 1.00 0.00 H new ATOM 0 HG23 THR A 89 -1.336 -5.224 -14.655 1.00 0.00 H new ATOM 1348 N ALA A 90 -4.359 -3.401 -11.947 1.00 0.00 N ATOM 1349 CA ALA A 90 -5.241 -2.256 -12.072 1.00 0.00 C ATOM 1350 C ALA A 90 -4.806 -1.093 -11.179 1.00 0.00 C ATOM 1351 O ALA A 90 -4.754 0.055 -11.623 1.00 0.00 O ATOM 1352 CB ALA A 90 -6.674 -2.659 -11.763 1.00 0.00 C ATOM 0 H ALA A 90 -4.807 -4.238 -11.574 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.182 -1.909 -13.104 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.325 -1.790 -11.860 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -6.993 -3.432 -12.462 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.732 -3.044 -10.745 1.00 0.00 H new ATOM 1358 N SER A 91 -4.493 -1.394 -9.920 1.00 0.00 N ATOM 1359 CA SER A 91 -4.062 -0.371 -8.969 1.00 0.00 C ATOM 1360 C SER A 91 -2.752 0.271 -9.402 1.00 0.00 C ATOM 1361 O SER A 91 -2.535 1.469 -9.207 1.00 0.00 O ATOM 1362 CB SER A 91 -3.900 -0.980 -7.575 1.00 0.00 C ATOM 1363 OG SER A 91 -3.968 -2.395 -7.624 1.00 0.00 O ATOM 0 H SER A 91 -4.530 -2.338 -9.535 1.00 0.00 H new ATOM 0 HA SER A 91 -4.830 0.402 -8.942 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.944 -0.674 -7.150 1.00 0.00 H new ATOM 0 HB3 SER A 91 -4.679 -0.598 -6.915 1.00 0.00 H new ATOM 0 HG SER A 91 -3.860 -2.759 -6.721 1.00 0.00 H new ATOM 1369 N VAL A 92 -1.885 -0.529 -9.996 1.00 0.00 N ATOM 1370 CA VAL A 92 -0.607 -0.019 -10.450 1.00 0.00 C ATOM 1371 C VAL A 92 -0.766 0.767 -11.730 1.00 0.00 C ATOM 1372 O VAL A 92 -0.279 1.877 -11.827 1.00 0.00 O ATOM 1373 CB VAL A 92 0.455 -1.108 -10.674 1.00 0.00 C ATOM 1374 CG1 VAL A 92 1.665 -0.507 -11.386 1.00 0.00 C ATOM 1375 CG2 VAL A 92 0.862 -1.741 -9.352 1.00 0.00 C ATOM 0 H VAL A 92 -2.040 -1.521 -10.173 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.255 0.622 -9.642 1.00 0.00 H new ATOM 0 HB VAL A 92 0.033 -1.893 -11.302 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.416 -1.281 -11.543 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.356 -0.100 -12.349 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.088 0.290 -10.775 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.614 -2.509 -9.533 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.275 -0.976 -8.694 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.011 -2.192 -8.881 1.00 0.00 H new ATOM 1385 N ASN A 93 -1.448 0.193 -12.711 1.00 0.00 N ATOM 1386 CA ASN A 93 -1.655 0.864 -13.967 1.00 0.00 C ATOM 1387 C ASN A 93 -2.099 2.296 -13.734 1.00 0.00 C ATOM 1388 O ASN A 93 -1.686 3.218 -14.441 1.00 0.00 O ATOM 1389 CB ASN A 93 -2.670 0.100 -14.795 1.00 0.00 C ATOM 1390 CG ASN A 93 -3.878 0.933 -15.180 1.00 0.00 C ATOM 1391 OD1 ASN A 93 -4.984 0.733 -14.471 1.00 0.00 O flip ATOM 1392 ND2 ASN A 93 -3.819 1.745 -16.103 1.00 0.00 N flip ATOM 0 H ASN A 93 -1.864 -0.737 -12.652 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.715 0.894 -14.519 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.187 -0.268 -15.700 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -3.003 -0.773 -14.234 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -2.949 1.866 -16.621 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.640 2.297 -16.350 1.00 0.00 H new ATOM 1399 N CYS A 94 -2.931 2.475 -12.717 1.00 0.00 N ATOM 1400 CA CYS A 94 -3.420 3.794 -12.370 1.00 0.00 C ATOM 1401 C CYS A 94 -2.283 4.657 -11.843 1.00 0.00 C ATOM 1402 O CYS A 94 -2.108 5.793 -12.279 1.00 0.00 O ATOM 1403 CB CYS A 94 -4.539 3.706 -11.336 1.00 0.00 C ATOM 1404 SG CYS A 94 -5.764 5.043 -11.487 1.00 0.00 S ATOM 0 H CYS A 94 -3.278 1.723 -12.122 1.00 0.00 H new ATOM 0 HA CYS A 94 -3.824 4.255 -13.271 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -5.045 2.746 -11.439 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -4.104 3.732 -10.337 1.00 0.00 H new ATOM 1409 N ALA A 95 -1.507 4.115 -10.904 1.00 0.00 N ATOM 1410 CA ALA A 95 -0.390 4.865 -10.340 1.00 0.00 C ATOM 1411 C ALA A 95 0.714 5.035 -11.369 1.00 0.00 C ATOM 1412 O ALA A 95 1.371 6.066 -11.410 1.00 0.00 O ATOM 1413 CB ALA A 95 0.146 4.213 -9.090 1.00 0.00 C ATOM 0 H ALA A 95 -1.629 3.176 -10.525 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.764 5.850 -10.062 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.977 4.801 -8.700 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.644 4.159 -8.341 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.493 3.207 -9.325 1.00 0.00 H new ATOM 1419 N LYS A 96 0.896 4.029 -12.218 1.00 0.00 N ATOM 1420 CA LYS A 96 1.894 4.102 -13.266 1.00 0.00 C ATOM 1421 C LYS A 96 1.639 5.392 -14.031 1.00 0.00 C ATOM 1422 O LYS A 96 2.552 6.126 -14.412 1.00 0.00 O ATOM 1423 CB LYS A 96 1.780 2.897 -14.204 1.00 0.00 C ATOM 1424 CG LYS A 96 2.958 2.752 -15.153 1.00 0.00 C ATOM 1425 CD LYS A 96 3.266 1.292 -15.439 1.00 0.00 C ATOM 1426 CE LYS A 96 2.569 0.811 -16.702 1.00 0.00 C ATOM 1427 NZ LYS A 96 2.676 -0.665 -16.867 1.00 0.00 N ATOM 0 H LYS A 96 0.365 3.158 -12.197 1.00 0.00 H new ATOM 0 HA LYS A 96 2.898 4.090 -12.843 1.00 0.00 H new ATOM 0 HB2 LYS A 96 1.691 1.989 -13.607 1.00 0.00 H new ATOM 0 HB3 LYS A 96 0.863 2.986 -14.787 1.00 0.00 H new ATOM 0 HG2 LYS A 96 2.739 3.269 -16.088 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.836 3.232 -14.721 1.00 0.00 H new ATOM 0 HD2 LYS A 96 4.343 1.160 -15.544 1.00 0.00 H new ATOM 0 HD3 LYS A 96 2.951 0.680 -14.593 1.00 0.00 H new ATOM 0 HE2 LYS A 96 1.518 1.097 -16.668 1.00 0.00 H new ATOM 0 HE3 LYS A 96 3.006 1.306 -17.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 2.188 -0.953 -17.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 3.678 -0.936 -16.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 2.236 -1.138 -16.052 1.00 0.00 H new ATOM 1441 N LYS A 97 0.346 5.661 -14.186 1.00 0.00 N ATOM 1442 CA LYS A 97 -0.128 6.866 -14.842 1.00 0.00 C ATOM 1443 C LYS A 97 -0.016 8.044 -13.883 1.00 0.00 C ATOM 1444 O LYS A 97 0.221 9.179 -14.299 1.00 0.00 O ATOM 1445 CB LYS A 97 -1.578 6.694 -15.301 1.00 0.00 C ATOM 1446 CG LYS A 97 -2.036 7.762 -16.281 1.00 0.00 C ATOM 1447 CD LYS A 97 -3.379 8.348 -15.877 1.00 0.00 C ATOM 1448 CE LYS A 97 -3.995 9.157 -17.006 1.00 0.00 C ATOM 1449 NZ LYS A 97 -5.468 8.955 -17.095 1.00 0.00 N ATOM 0 H LYS A 97 -0.400 5.047 -13.859 1.00 0.00 H new ATOM 0 HA LYS A 97 0.488 7.056 -15.721 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.690 5.714 -15.766 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.231 6.709 -14.428 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.291 8.556 -16.330 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.111 7.333 -17.280 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -4.057 7.544 -15.592 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.251 8.983 -15.000 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.782 10.215 -16.852 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.532 8.873 -17.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.859 9.575 -17.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -5.669 7.963 -17.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.906 9.186 -16.180 1.00 0.00 H new ATOM 1463 N ILE A 98 -0.169 7.761 -12.587 1.00 0.00 N ATOM 1464 CA ILE A 98 -0.067 8.793 -11.567 1.00 0.00 C ATOM 1465 C ILE A 98 1.341 9.386 -11.552 1.00 0.00 C ATOM 1466 O ILE A 98 1.521 10.604 -11.575 1.00 0.00 O ATOM 1467 CB ILE A 98 -0.426 8.261 -10.163 1.00 0.00 C ATOM 1468 CG1 ILE A 98 -1.916 7.904 -10.101 1.00 0.00 C ATOM 1469 CG2 ILE A 98 -0.088 9.299 -9.101 1.00 0.00 C ATOM 1470 CD1 ILE A 98 -2.330 7.245 -8.803 1.00 0.00 C ATOM 0 H ILE A 98 -0.363 6.827 -12.226 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.789 9.569 -11.821 1.00 0.00 H new ATOM 0 HB ILE A 98 0.160 7.363 -9.969 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.504 8.811 -10.241 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.156 7.237 -10.929 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.347 8.910 -8.116 1.00 0.00 H new ATOM 0 HG22 ILE A 98 0.979 9.520 -9.135 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -0.654 10.211 -9.291 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -3.396 7.022 -8.832 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.769 6.320 -8.670 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.123 7.918 -7.971 1.00 0.00 H new ATOM 1482 N VAL A 99 2.333 8.502 -11.517 1.00 0.00 N ATOM 1483 CA VAL A 99 3.731 8.907 -11.502 1.00 0.00 C ATOM 1484 C VAL A 99 4.173 9.403 -12.875 1.00 0.00 C ATOM 1485 O VAL A 99 5.148 10.147 -12.990 1.00 0.00 O ATOM 1486 CB VAL A 99 4.651 7.758 -11.044 1.00 0.00 C ATOM 1487 CG1 VAL A 99 4.910 6.777 -12.178 1.00 0.00 C ATOM 1488 CG2 VAL A 99 5.956 8.311 -10.495 1.00 0.00 C ATOM 0 H VAL A 99 2.191 7.492 -11.498 1.00 0.00 H new ATOM 0 HA VAL A 99 3.817 9.723 -10.785 1.00 0.00 H new ATOM 0 HB VAL A 99 4.145 7.214 -10.246 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.562 5.978 -11.826 1.00 0.00 H new ATOM 0 HG12 VAL A 99 3.964 6.352 -12.515 1.00 0.00 H new ATOM 0 HG13 VAL A 99 5.390 7.297 -13.007 1.00 0.00 H new ATOM 0 HG21 VAL A 99 6.595 7.487 -10.176 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.463 8.884 -11.271 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.747 8.959 -9.644 1.00 0.00 H new ATOM 1498 N SER A 100 3.438 9.009 -13.914 1.00 0.00 N ATOM 1499 CA SER A 100 3.747 9.442 -15.272 1.00 0.00 C ATOM 1500 C SER A 100 3.061 10.773 -15.563 1.00 0.00 C ATOM 1501 O SER A 100 3.337 11.425 -16.571 1.00 0.00 O ATOM 1502 CB SER A 100 3.299 8.387 -16.286 1.00 0.00 C ATOM 1503 OG SER A 100 3.708 8.735 -17.597 1.00 0.00 O ATOM 0 H SER A 100 2.628 8.393 -13.840 1.00 0.00 H new ATOM 0 HA SER A 100 4.826 9.571 -15.360 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.718 7.418 -16.016 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.214 8.285 -16.255 1.00 0.00 H new ATOM 0 HG SER A 100 3.703 9.710 -17.693 1.00 0.00 H new ATOM 1509 N ASP A 101 2.167 11.166 -14.660 1.00 0.00 N ATOM 1510 CA ASP A 101 1.432 12.419 -14.794 1.00 0.00 C ATOM 1511 C ASP A 101 2.061 13.510 -13.934 1.00 0.00 C ATOM 1512 O ASP A 101 1.666 14.675 -14.002 1.00 0.00 O ATOM 1513 CB ASP A 101 -0.032 12.222 -14.398 1.00 0.00 C ATOM 1514 CG ASP A 101 -0.962 13.169 -15.132 1.00 0.00 C ATOM 1515 OD1 ASP A 101 -1.107 14.325 -14.682 1.00 0.00 O ATOM 1516 OD2 ASP A 101 -1.545 12.754 -16.155 1.00 0.00 O ATOM 0 H ASP A 101 1.934 10.631 -13.823 1.00 0.00 H new ATOM 0 HA ASP A 101 1.479 12.730 -15.838 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -0.327 11.193 -14.606 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -0.138 12.373 -13.324 1.00 0.00 H new ATOM 1521 N GLY A 102 3.042 13.124 -13.124 1.00 0.00 N ATOM 1522 CA GLY A 102 3.714 14.077 -12.261 1.00 0.00 C ATOM 1523 C GLY A 102 3.419 13.843 -10.792 1.00 0.00 C ATOM 1524 O GLY A 102 2.866 14.710 -10.117 1.00 0.00 O ATOM 0 H GLY A 102 3.384 12.166 -13.050 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.790 14.015 -12.426 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.407 15.087 -12.533 1.00 0.00 H new ATOM 1528 N ASN A 103 3.789 12.665 -10.297 1.00 0.00 N ATOM 1529 CA ASN A 103 3.562 12.316 -8.899 1.00 0.00 C ATOM 1530 C ASN A 103 4.398 11.104 -8.502 1.00 0.00 C ATOM 1531 O ASN A 103 4.015 9.963 -8.757 1.00 0.00 O ATOM 1532 CB ASN A 103 2.079 12.030 -8.656 1.00 0.00 C ATOM 1533 CG ASN A 103 1.382 13.170 -7.938 1.00 0.00 C ATOM 1534 OD1 ASN A 103 1.926 13.754 -7.001 1.00 0.00 O ATOM 1535 ND2 ASN A 103 0.169 13.490 -8.374 1.00 0.00 N ATOM 0 H ASN A 103 4.247 11.936 -10.844 1.00 0.00 H new ATOM 0 HA ASN A 103 3.865 13.163 -8.284 1.00 0.00 H new ATOM 0 HB2 ASN A 103 1.585 11.849 -9.611 1.00 0.00 H new ATOM 0 HB3 ASN A 103 1.979 11.118 -8.068 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -0.350 14.247 -7.929 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -0.244 12.979 -9.154 1.00 0.00 H new ATOM 1542 N GLY A 104 5.539 11.359 -7.870 1.00 0.00 N ATOM 1543 CA GLY A 104 6.409 10.278 -7.444 1.00 0.00 C ATOM 1544 C GLY A 104 5.883 9.567 -6.213 1.00 0.00 C ATOM 1545 O GLY A 104 4.676 9.411 -6.049 1.00 0.00 O ATOM 0 H GLY A 104 5.877 12.295 -7.645 1.00 0.00 H new ATOM 0 HA2 GLY A 104 6.517 9.560 -8.257 1.00 0.00 H new ATOM 0 HA3 GLY A 104 7.402 10.675 -7.235 1.00 0.00 H new ATOM 1549 N MET A 105 6.793 9.156 -5.338 1.00 0.00 N ATOM 1550 CA MET A 105 6.422 8.479 -4.106 1.00 0.00 C ATOM 1551 C MET A 105 5.971 9.500 -3.080 1.00 0.00 C ATOM 1552 O MET A 105 5.570 9.154 -1.968 1.00 0.00 O ATOM 1553 CB MET A 105 7.607 7.684 -3.559 1.00 0.00 C ATOM 1554 CG MET A 105 8.555 7.176 -4.633 1.00 0.00 C ATOM 1555 SD MET A 105 7.758 6.045 -5.788 1.00 0.00 S ATOM 1556 CE MET A 105 6.677 5.148 -4.678 1.00 0.00 C ATOM 0 H MET A 105 7.798 9.282 -5.462 1.00 0.00 H new ATOM 0 HA MET A 105 5.605 7.789 -4.315 1.00 0.00 H new ATOM 0 HB2 MET A 105 8.164 8.312 -2.864 1.00 0.00 H new ATOM 0 HB3 MET A 105 7.230 6.835 -2.989 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.961 8.024 -5.184 1.00 0.00 H new ATOM 0 HG3 MET A 105 9.397 6.671 -4.159 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.457 4.166 -5.098 1.00 0.00 H new ATOM 0 HE2 MET A 105 7.167 5.028 -3.712 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.748 5.703 -4.548 1.00 0.00 H new ATOM 1566 N ASN A 106 6.053 10.765 -3.467 1.00 0.00 N ATOM 1567 CA ASN A 106 5.673 11.864 -2.599 1.00 0.00 C ATOM 1568 C ASN A 106 4.157 11.999 -2.511 1.00 0.00 C ATOM 1569 O ASN A 106 3.619 12.351 -1.461 1.00 0.00 O ATOM 1570 CB ASN A 106 6.287 13.160 -3.124 1.00 0.00 C ATOM 1571 CG ASN A 106 7.586 12.923 -3.870 1.00 0.00 C ATOM 1572 OD1 ASN A 106 7.649 13.064 -5.091 1.00 0.00 O ATOM 1573 ND2 ASN A 106 8.632 12.560 -3.135 1.00 0.00 N ATOM 0 H ASN A 106 6.383 11.055 -4.387 1.00 0.00 H new ATOM 0 HA ASN A 106 6.048 11.660 -1.596 1.00 0.00 H new ATOM 0 HB2 ASN A 106 5.576 13.654 -3.786 1.00 0.00 H new ATOM 0 HB3 ASN A 106 6.469 13.837 -2.289 1.00 0.00 H new ATOM 0 HD21 ASN A 106 9.533 12.386 -3.581 1.00 0.00 H new ATOM 0 HD22 ASN A 106 8.534 12.455 -2.125 1.00 0.00 H new ATOM 1580 N ALA A 107 3.471 11.718 -3.618 1.00 0.00 N ATOM 1581 CA ALA A 107 2.014 11.809 -3.658 1.00 0.00 C ATOM 1582 C ALA A 107 1.394 11.050 -2.491 1.00 0.00 C ATOM 1583 O ALA A 107 0.528 11.568 -1.787 1.00 0.00 O ATOM 1584 CB ALA A 107 1.486 11.275 -4.981 1.00 0.00 C ATOM 0 H ALA A 107 3.900 11.426 -4.496 1.00 0.00 H new ATOM 0 HA ALA A 107 1.733 12.859 -3.570 1.00 0.00 H new ATOM 0 HB1 ALA A 107 0.399 11.350 -4.996 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.901 11.861 -5.801 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.780 10.232 -5.095 1.00 0.00 H new ATOM 1590 N TRP A 108 1.849 9.818 -2.296 1.00 0.00 N ATOM 1591 CA TRP A 108 1.347 8.982 -1.217 1.00 0.00 C ATOM 1592 C TRP A 108 1.991 9.389 0.108 1.00 0.00 C ATOM 1593 O TRP A 108 3.206 9.577 0.194 1.00 0.00 O ATOM 1594 CB TRP A 108 1.601 7.508 -1.540 1.00 0.00 C ATOM 1595 CG TRP A 108 0.919 7.071 -2.806 1.00 0.00 C ATOM 1596 CD1 TRP A 108 -0.376 6.657 -2.939 1.00 0.00 C ATOM 1597 CD2 TRP A 108 1.491 7.016 -4.120 1.00 0.00 C ATOM 1598 NE1 TRP A 108 -0.642 6.348 -4.253 1.00 0.00 N ATOM 1599 CE2 TRP A 108 0.487 6.559 -4.998 1.00 0.00 C ATOM 1600 CE3 TRP A 108 2.755 7.308 -4.638 1.00 0.00 C ATOM 1601 CZ2 TRP A 108 0.711 6.390 -6.366 1.00 0.00 C ATOM 1602 CZ3 TRP A 108 2.974 7.140 -5.992 1.00 0.00 C ATOM 1603 CH2 TRP A 108 1.959 6.686 -6.843 1.00 0.00 C ATOM 0 H TRP A 108 2.566 9.377 -2.873 1.00 0.00 H new ATOM 0 HA TRP A 108 0.271 9.123 -1.118 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.674 7.339 -1.632 1.00 0.00 H new ATOM 0 HB3 TRP A 108 1.251 6.892 -0.711 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -1.088 6.583 -2.130 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -1.536 6.015 -4.614 1.00 0.00 H new ATOM 0 HE3 TRP A 108 3.546 7.659 -3.992 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -0.071 6.039 -7.023 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 3.948 7.363 -6.402 1.00 0.00 H new ATOM 0 HH2 TRP A 108 2.165 6.567 -7.896 1.00 0.00 H new ATOM 1614 N VAL A 109 1.153 9.569 1.123 1.00 0.00 N ATOM 1615 CA VAL A 109 1.600 10.008 2.445 1.00 0.00 C ATOM 1616 C VAL A 109 2.315 8.926 3.247 1.00 0.00 C ATOM 1617 O VAL A 109 3.117 9.239 4.128 1.00 0.00 O ATOM 1618 CB VAL A 109 0.432 10.514 3.287 1.00 0.00 C ATOM 1619 CG1 VAL A 109 0.837 11.746 4.081 1.00 0.00 C ATOM 1620 CG2 VAL A 109 -0.790 10.800 2.427 1.00 0.00 C ATOM 0 H VAL A 109 0.147 9.416 1.056 1.00 0.00 H new ATOM 0 HA VAL A 109 2.311 10.809 2.240 1.00 0.00 H new ATOM 0 HB VAL A 109 0.162 9.726 3.990 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.010 12.091 4.674 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.666 11.496 4.743 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.145 12.535 3.396 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.603 11.159 3.058 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.543 11.560 1.686 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.100 9.886 1.920 1.00 0.00 H new ATOM 1630 N ALA A 110 2.034 7.666 2.959 1.00 0.00 N ATOM 1631 CA ALA A 110 2.673 6.572 3.685 1.00 0.00 C ATOM 1632 C ALA A 110 4.157 6.501 3.367 1.00 0.00 C ATOM 1633 O ALA A 110 4.946 5.967 4.147 1.00 0.00 O ATOM 1634 CB ALA A 110 1.995 5.251 3.364 1.00 0.00 C ATOM 0 H ALA A 110 1.376 7.373 2.237 1.00 0.00 H new ATOM 0 HA ALA A 110 2.565 6.766 4.752 1.00 0.00 H new ATOM 0 HB1 ALA A 110 2.485 4.448 3.914 1.00 0.00 H new ATOM 0 HB2 ALA A 110 0.945 5.301 3.653 1.00 0.00 H new ATOM 0 HB3 ALA A 110 2.068 5.055 2.294 1.00 0.00 H new ATOM 1640 N TRP A 111 4.533 7.057 2.227 1.00 0.00 N ATOM 1641 CA TRP A 111 5.928 7.068 1.822 1.00 0.00 C ATOM 1642 C TRP A 111 6.624 8.308 2.369 1.00 0.00 C ATOM 1643 O TRP A 111 7.791 8.252 2.753 1.00 0.00 O ATOM 1644 CB TRP A 111 6.064 6.993 0.298 1.00 0.00 C ATOM 1645 CG TRP A 111 7.487 6.995 -0.175 1.00 0.00 C ATOM 1646 CD1 TRP A 111 8.237 5.906 -0.516 1.00 0.00 C ATOM 1647 CD2 TRP A 111 8.336 8.137 -0.358 1.00 0.00 C ATOM 1648 NE1 TRP A 111 9.495 6.299 -0.902 1.00 0.00 N ATOM 1649 CE2 TRP A 111 9.581 7.664 -0.812 1.00 0.00 C ATOM 1650 CE3 TRP A 111 8.162 9.514 -0.184 1.00 0.00 C ATOM 1651 CZ2 TRP A 111 10.645 8.518 -1.094 1.00 0.00 C ATOM 1652 CZ3 TRP A 111 9.218 10.360 -0.464 1.00 0.00 C ATOM 1653 CH2 TRP A 111 10.446 9.859 -0.914 1.00 0.00 C ATOM 0 H TRP A 111 3.895 7.504 1.569 1.00 0.00 H new ATOM 0 HA TRP A 111 6.412 6.184 2.238 1.00 0.00 H new ATOM 0 HB2 TRP A 111 5.572 6.088 -0.059 1.00 0.00 H new ATOM 0 HB3 TRP A 111 5.540 7.838 -0.148 1.00 0.00 H new ATOM 0 HD1 TRP A 111 7.891 4.883 -0.486 1.00 0.00 H new ATOM 0 HE1 TRP A 111 10.244 5.676 -1.206 1.00 0.00 H new ATOM 0 HE3 TRP A 111 7.219 9.909 0.163 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 11.593 8.135 -1.442 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 9.094 11.425 -0.334 1.00 0.00 H new ATOM 0 HH2 TRP A 111 11.253 10.546 -1.123 1.00 0.00 H new ATOM 1664 N ARG A 112 5.905 9.429 2.429 1.00 0.00 N ATOM 1665 CA ARG A 112 6.464 10.667 2.960 1.00 0.00 C ATOM 1666 C ARG A 112 6.151 10.807 4.446 1.00 0.00 C ATOM 1667 O ARG A 112 5.772 11.883 4.911 1.00 0.00 O ATOM 1668 CB ARG A 112 5.893 11.859 2.210 1.00 0.00 C ATOM 1669 CG ARG A 112 6.841 12.445 1.176 1.00 0.00 C ATOM 1670 CD ARG A 112 6.819 13.965 1.199 1.00 0.00 C ATOM 1671 NE ARG A 112 7.751 14.511 2.183 1.00 0.00 N ATOM 1672 CZ ARG A 112 7.456 15.521 2.997 1.00 0.00 C ATOM 1673 NH1 ARG A 112 6.261 16.092 2.945 1.00 0.00 N ATOM 1674 NH2 ARG A 112 8.358 15.960 3.864 1.00 0.00 N ATOM 0 H ARG A 112 4.937 9.503 2.117 1.00 0.00 H new ATOM 0 HA ARG A 112 7.546 10.636 2.829 1.00 0.00 H new ATOM 0 HB2 ARG A 112 4.971 11.556 1.714 1.00 0.00 H new ATOM 0 HB3 ARG A 112 5.628 12.635 2.928 1.00 0.00 H new ATOM 0 HG2 ARG A 112 7.854 12.092 1.368 1.00 0.00 H new ATOM 0 HG3 ARG A 112 6.563 12.091 0.183 1.00 0.00 H new ATOM 0 HD2 ARG A 112 7.072 14.346 0.210 1.00 0.00 H new ATOM 0 HD3 ARG A 112 5.810 14.310 1.425 1.00 0.00 H new ATOM 0 HE ARG A 112 8.680 14.094 2.249 1.00 0.00 H new ATOM 0 HH11 ARG A 112 5.564 15.757 2.279 1.00 0.00 H new ATOM 0 HH12 ARG A 112 6.038 16.866 3.571 1.00 0.00 H new ATOM 0 HH21 ARG A 112 9.279 15.523 3.907 1.00 0.00 H new ATOM 0 HH22 ARG A 112 8.131 16.734 4.488 1.00 0.00 H new ATOM 1688 N ASN A 113 6.315 9.725 5.182 1.00 0.00 N ATOM 1689 CA ASN A 113 6.053 9.736 6.617 1.00 0.00 C ATOM 1690 C ASN A 113 6.894 8.692 7.334 1.00 0.00 C ATOM 1691 O ASN A 113 7.745 9.021 8.160 1.00 0.00 O ATOM 1692 CB ASN A 113 4.569 9.486 6.888 1.00 0.00 C ATOM 1693 CG ASN A 113 4.074 10.217 8.119 1.00 0.00 C ATOM 1694 OD1 ASN A 113 4.247 9.751 9.245 1.00 0.00 O ATOM 1695 ND2 ASN A 113 3.452 11.373 7.911 1.00 0.00 N ATOM 0 H ASN A 113 6.628 8.826 4.815 1.00 0.00 H new ATOM 0 HA ASN A 113 6.325 10.719 7.001 1.00 0.00 H new ATOM 0 HB2 ASN A 113 3.986 9.802 6.023 1.00 0.00 H new ATOM 0 HB3 ASN A 113 4.401 8.416 7.012 1.00 0.00 H new ATOM 0 HD21 ASN A 113 3.097 11.910 8.702 1.00 0.00 H new ATOM 0 HD22 ASN A 113 3.330 11.723 6.961 1.00 0.00 H new ATOM 1702 N ARG A 114 6.640 7.432 7.016 1.00 0.00 N ATOM 1703 CA ARG A 114 7.360 6.328 7.631 1.00 0.00 C ATOM 1704 C ARG A 114 8.441 5.784 6.704 1.00 0.00 C ATOM 1705 O ARG A 114 9.158 4.847 7.057 1.00 0.00 O ATOM 1706 CB ARG A 114 6.384 5.215 7.996 1.00 0.00 C ATOM 1707 CG ARG A 114 5.821 5.333 9.402 1.00 0.00 C ATOM 1708 CD ARG A 114 4.331 5.637 9.381 1.00 0.00 C ATOM 1709 NE ARG A 114 3.574 4.722 10.231 1.00 0.00 N ATOM 1710 CZ ARG A 114 3.451 4.869 11.547 1.00 0.00 C ATOM 1711 NH1 ARG A 114 4.033 5.891 12.162 1.00 0.00 N ATOM 1712 NH2 ARG A 114 2.746 3.994 12.251 1.00 0.00 N ATOM 0 H ARG A 114 5.938 7.148 6.333 1.00 0.00 H new ATOM 0 HA ARG A 114 7.845 6.701 8.533 1.00 0.00 H new ATOM 0 HB2 ARG A 114 5.560 5.218 7.283 1.00 0.00 H new ATOM 0 HB3 ARG A 114 6.889 4.254 7.896 1.00 0.00 H new ATOM 0 HG2 ARG A 114 5.996 4.404 9.945 1.00 0.00 H new ATOM 0 HG3 ARG A 114 6.347 6.121 9.941 1.00 0.00 H new ATOM 0 HD2 ARG A 114 4.165 6.662 9.714 1.00 0.00 H new ATOM 0 HD3 ARG A 114 3.962 5.570 8.358 1.00 0.00 H new ATOM 0 HE ARG A 114 3.114 3.925 9.791 1.00 0.00 H new ATOM 0 HH11 ARG A 114 4.577 6.567 11.625 1.00 0.00 H new ATOM 0 HH12 ARG A 114 3.937 6.001 13.171 1.00 0.00 H new ATOM 0 HH21 ARG A 114 2.297 3.207 11.783 1.00 0.00 H new ATOM 0 HH22 ARG A 114 2.653 4.108 13.260 1.00 0.00 H new ATOM 1726 N CYS A 115 8.550 6.365 5.515 1.00 0.00 N ATOM 1727 CA CYS A 115 9.540 5.919 4.543 1.00 0.00 C ATOM 1728 C CYS A 115 10.609 6.977 4.294 1.00 0.00 C ATOM 1729 O CYS A 115 11.800 6.668 4.272 1.00 0.00 O ATOM 1730 CB CYS A 115 8.864 5.554 3.226 1.00 0.00 C ATOM 1731 SG CYS A 115 9.879 4.495 2.152 1.00 0.00 S ATOM 0 H CYS A 115 7.968 7.142 5.202 1.00 0.00 H new ATOM 0 HA CYS A 115 10.028 5.038 4.960 1.00 0.00 H new ATOM 0 HB2 CYS A 115 7.924 5.045 3.439 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.616 6.470 2.689 1.00 0.00 H new ATOM 1736 N LYS A 116 10.181 8.220 4.097 1.00 0.00 N ATOM 1737 CA LYS A 116 11.110 9.314 3.837 1.00 0.00 C ATOM 1738 C LYS A 116 12.129 9.447 4.963 1.00 0.00 C ATOM 1739 O LYS A 116 11.875 10.112 5.967 1.00 0.00 O ATOM 1740 CB LYS A 116 10.347 10.629 3.666 1.00 0.00 C ATOM 1741 CG LYS A 116 11.156 11.717 2.981 1.00 0.00 C ATOM 1742 CD LYS A 116 10.744 13.101 3.457 1.00 0.00 C ATOM 1743 CE LYS A 116 11.780 14.149 3.085 1.00 0.00 C ATOM 1744 NZ LYS A 116 11.427 14.855 1.822 1.00 0.00 N ATOM 0 H LYS A 116 9.199 8.494 4.112 1.00 0.00 H new ATOM 0 HA LYS A 116 11.645 9.089 2.915 1.00 0.00 H new ATOM 0 HB2 LYS A 116 9.442 10.442 3.087 1.00 0.00 H new ATOM 0 HB3 LYS A 116 10.030 10.986 4.646 1.00 0.00 H new ATOM 0 HG2 LYS A 116 12.217 11.563 3.180 1.00 0.00 H new ATOM 0 HG3 LYS A 116 11.021 11.647 1.902 1.00 0.00 H new ATOM 0 HD2 LYS A 116 9.782 13.367 3.018 1.00 0.00 H new ATOM 0 HD3 LYS A 116 10.608 13.090 4.538 1.00 0.00 H new ATOM 0 HE2 LYS A 116 11.869 14.874 3.894 1.00 0.00 H new ATOM 0 HE3 LYS A 116 12.754 13.673 2.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 12.158 15.561 1.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 11.367 14.167 1.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 10.509 15.331 1.935 1.00 0.00 H new ATOM 1758 N GLY A 117 13.286 8.815 4.786 1.00 0.00 N ATOM 1759 CA GLY A 117 14.326 8.882 5.793 1.00 0.00 C ATOM 1760 C GLY A 117 14.915 7.524 6.123 1.00 0.00 C ATOM 1761 O GLY A 117 15.736 7.407 7.032 1.00 0.00 O ATOM 0 H GLY A 117 13.520 8.259 3.964 1.00 0.00 H new ATOM 0 HA2 GLY A 117 15.120 9.542 5.445 1.00 0.00 H new ATOM 0 HA3 GLY A 117 13.918 9.326 6.701 1.00 0.00 H new ATOM 1765 N THR A 118 14.502 6.493 5.389 1.00 0.00 N ATOM 1766 CA THR A 118 15.004 5.143 5.618 1.00 0.00 C ATOM 1767 C THR A 118 15.707 4.606 4.372 1.00 0.00 C ATOM 1768 O THR A 118 16.304 5.368 3.613 1.00 0.00 O ATOM 1769 CB THR A 118 13.866 4.184 6.016 1.00 0.00 C ATOM 1770 OG1 THR A 118 12.896 4.109 4.964 1.00 0.00 O ATOM 1771 CG2 THR A 118 13.192 4.647 7.300 1.00 0.00 C ATOM 0 H THR A 118 13.822 6.568 4.632 1.00 0.00 H new ATOM 0 HA THR A 118 15.720 5.198 6.438 1.00 0.00 H new ATOM 0 HB THR A 118 14.296 3.197 6.184 1.00 0.00 H new ATOM 0 HG1 THR A 118 12.531 5.002 4.791 1.00 0.00 H new ATOM 0 HG21 THR A 118 12.392 3.954 7.561 1.00 0.00 H new ATOM 0 HG22 THR A 118 13.925 4.675 8.106 1.00 0.00 H new ATOM 0 HG23 THR A 118 12.776 5.644 7.153 1.00 0.00 H new ATOM 1779 N ASP A 119 15.637 3.292 4.165 1.00 0.00 N ATOM 1780 CA ASP A 119 16.273 2.670 3.010 1.00 0.00 C ATOM 1781 C ASP A 119 15.373 1.626 2.359 1.00 0.00 C ATOM 1782 O ASP A 119 15.156 0.546 2.909 1.00 0.00 O ATOM 1783 CB ASP A 119 17.584 2.039 3.412 1.00 0.00 C ATOM 1784 CG ASP A 119 18.599 2.036 2.285 1.00 0.00 C ATOM 1785 OD1 ASP A 119 19.068 3.129 1.906 1.00 0.00 O ATOM 1786 OD2 ASP A 119 18.925 0.940 1.783 1.00 0.00 O ATOM 0 H ASP A 119 15.148 2.642 4.780 1.00 0.00 H new ATOM 0 HA ASP A 119 16.457 3.455 2.277 1.00 0.00 H new ATOM 0 HB2 ASP A 119 17.996 2.578 4.266 1.00 0.00 H new ATOM 0 HB3 ASP A 119 17.405 1.014 3.738 1.00 0.00 H new ATOM 1791 N VAL A 120 14.860 1.955 1.178 1.00 0.00 N ATOM 1792 CA VAL A 120 13.991 1.053 0.434 1.00 0.00 C ATOM 1793 C VAL A 120 14.806 -0.051 -0.219 1.00 0.00 C ATOM 1794 O VAL A 120 14.328 -1.173 -0.391 1.00 0.00 O ATOM 1795 CB VAL A 120 13.194 1.803 -0.650 1.00 0.00 C ATOM 1796 CG1 VAL A 120 12.194 2.756 -0.015 1.00 0.00 C ATOM 1797 CG2 VAL A 120 14.133 2.551 -1.585 1.00 0.00 C ATOM 0 H VAL A 120 15.033 2.847 0.714 1.00 0.00 H new ATOM 0 HA VAL A 120 13.288 0.619 1.145 1.00 0.00 H new ATOM 0 HB VAL A 120 12.641 1.070 -1.238 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.641 3.277 -0.797 1.00 0.00 H new ATOM 0 HG12 VAL A 120 11.499 2.192 0.608 1.00 0.00 H new ATOM 0 HG13 VAL A 120 12.724 3.483 0.600 1.00 0.00 H new ATOM 0 HG21 VAL A 120 13.551 3.074 -2.343 1.00 0.00 H new ATOM 0 HG22 VAL A 120 14.717 3.273 -1.014 1.00 0.00 H new ATOM 0 HG23 VAL A 120 14.805 1.842 -2.069 1.00 0.00 H new ATOM 1807 N GLN A 121 16.050 0.269 -0.567 1.00 0.00 N ATOM 1808 CA GLN A 121 16.941 -0.704 -1.182 1.00 0.00 C ATOM 1809 C GLN A 121 17.123 -1.885 -0.240 1.00 0.00 C ATOM 1810 O GLN A 121 17.426 -3.000 -0.665 1.00 0.00 O ATOM 1811 CB GLN A 121 18.296 -0.069 -1.501 1.00 0.00 C ATOM 1812 CG GLN A 121 18.241 0.940 -2.637 1.00 0.00 C ATOM 1813 CD GLN A 121 18.689 0.352 -3.961 1.00 0.00 C ATOM 1814 OE1 GLN A 121 19.883 0.170 -4.201 1.00 0.00 O ATOM 1815 NE2 GLN A 121 17.729 0.050 -4.828 1.00 0.00 N ATOM 0 H GLN A 121 16.461 1.193 -0.433 1.00 0.00 H new ATOM 0 HA GLN A 121 16.500 -1.049 -2.117 1.00 0.00 H new ATOM 0 HB2 GLN A 121 18.677 0.424 -0.606 1.00 0.00 H new ATOM 0 HB3 GLN A 121 19.005 -0.856 -1.758 1.00 0.00 H new ATOM 0 HG2 GLN A 121 17.222 1.315 -2.736 1.00 0.00 H new ATOM 0 HG3 GLN A 121 18.872 1.794 -2.391 1.00 0.00 H new ATOM 0 HE21 GLN A 121 16.752 0.218 -4.586 1.00 0.00 H new ATOM 0 HE22 GLN A 121 17.968 -0.350 -5.735 1.00 0.00 H new ATOM 1824 N ALA A 122 16.915 -1.623 1.047 1.00 0.00 N ATOM 1825 CA ALA A 122 17.031 -2.648 2.070 1.00 0.00 C ATOM 1826 C ALA A 122 15.688 -3.334 2.283 1.00 0.00 C ATOM 1827 O ALA A 122 15.626 -4.456 2.785 1.00 0.00 O ATOM 1828 CB ALA A 122 17.533 -2.044 3.373 1.00 0.00 C ATOM 0 H ALA A 122 16.664 -0.701 1.404 1.00 0.00 H new ATOM 0 HA ALA A 122 17.753 -3.393 1.736 1.00 0.00 H new ATOM 0 HB1 ALA A 122 17.614 -2.825 4.129 1.00 0.00 H new ATOM 0 HB2 ALA A 122 18.512 -1.592 3.211 1.00 0.00 H new ATOM 0 HB3 ALA A 122 16.833 -1.281 3.714 1.00 0.00 H new ATOM 1834 N TRP A 123 14.611 -2.653 1.886 1.00 0.00 N ATOM 1835 CA TRP A 123 13.268 -3.211 2.026 1.00 0.00 C ATOM 1836 C TRP A 123 13.107 -4.452 1.154 1.00 0.00 C ATOM 1837 O TRP A 123 12.191 -5.250 1.354 1.00 0.00 O ATOM 1838 CB TRP A 123 12.210 -2.171 1.647 1.00 0.00 C ATOM 1839 CG TRP A 123 11.746 -1.337 2.803 1.00 0.00 C ATOM 1840 CD1 TRP A 123 11.556 0.013 2.809 1.00 0.00 C ATOM 1841 CD2 TRP A 123 11.407 -1.793 4.121 1.00 0.00 C ATOM 1842 NE1 TRP A 123 11.126 0.422 4.048 1.00 0.00 N ATOM 1843 CE2 TRP A 123 11.029 -0.672 4.866 1.00 0.00 C ATOM 1844 CE3 TRP A 123 11.389 -3.039 4.744 1.00 0.00 C ATOM 1845 CZ2 TRP A 123 10.639 -0.768 6.194 1.00 0.00 C ATOM 1846 CZ3 TRP A 123 11.002 -3.133 6.062 1.00 0.00 C ATOM 1847 CH2 TRP A 123 10.631 -2.000 6.776 1.00 0.00 C ATOM 0 H TRP A 123 14.643 -1.723 1.469 1.00 0.00 H new ATOM 0 HA TRP A 123 13.128 -3.493 3.069 1.00 0.00 H new ATOM 0 HB2 TRP A 123 12.617 -1.515 0.877 1.00 0.00 H new ATOM 0 HB3 TRP A 123 11.351 -2.681 1.210 1.00 0.00 H new ATOM 0 HD1 TRP A 123 11.720 0.665 1.964 1.00 0.00 H new ATOM 0 HE1 TRP A 123 10.914 1.383 4.315 1.00 0.00 H new ATOM 0 HE3 TRP A 123 11.677 -3.925 4.197 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 10.349 0.110 6.752 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 10.987 -4.098 6.546 1.00 0.00 H new ATOM 0 HH2 TRP A 123 10.331 -2.098 7.809 1.00 0.00 H new ATOM 1858 N ILE A 124 14.008 -4.609 0.188 1.00 0.00 N ATOM 1859 CA ILE A 124 13.973 -5.752 -0.716 1.00 0.00 C ATOM 1860 C ILE A 124 15.312 -6.483 -0.722 1.00 0.00 C ATOM 1861 O ILE A 124 15.573 -7.316 -1.589 1.00 0.00 O ATOM 1862 CB ILE A 124 13.627 -5.323 -2.155 1.00 0.00 C ATOM 1863 CG1 ILE A 124 14.565 -4.207 -2.618 1.00 0.00 C ATOM 1864 CG2 ILE A 124 12.177 -4.873 -2.238 1.00 0.00 C ATOM 1865 CD1 ILE A 124 15.536 -4.643 -3.695 1.00 0.00 C ATOM 0 H ILE A 124 14.772 -3.957 0.012 1.00 0.00 H new ATOM 0 HA ILE A 124 13.195 -6.422 -0.351 1.00 0.00 H new ATOM 0 HB ILE A 124 13.760 -6.180 -2.816 1.00 0.00 H new ATOM 0 HG12 ILE A 124 13.969 -3.374 -2.992 1.00 0.00 H new ATOM 0 HG13 ILE A 124 15.127 -3.837 -1.761 1.00 0.00 H new ATOM 0 HG21 ILE A 124 11.947 -4.573 -3.260 1.00 0.00 H new ATOM 0 HG22 ILE A 124 11.524 -5.695 -1.945 1.00 0.00 H new ATOM 0 HG23 ILE A 124 12.019 -4.028 -1.568 1.00 0.00 H new ATOM 0 HD11 ILE A 124 16.170 -3.802 -3.975 1.00 0.00 H new ATOM 0 HD12 ILE A 124 16.157 -5.456 -3.318 1.00 0.00 H new ATOM 0 HD13 ILE A 124 14.981 -4.986 -4.568 1.00 0.00 H new ATOM 1877 N ARG A 125 16.156 -6.160 0.253 1.00 0.00 N ATOM 1878 CA ARG A 125 17.471 -6.781 0.366 1.00 0.00 C ATOM 1879 C ARG A 125 17.347 -8.272 0.666 1.00 0.00 C ATOM 1880 O ARG A 125 17.098 -8.668 1.804 1.00 0.00 O ATOM 1881 CB ARG A 125 18.289 -6.095 1.461 1.00 0.00 C ATOM 1882 CG ARG A 125 19.729 -5.816 1.061 1.00 0.00 C ATOM 1883 CD ARG A 125 20.365 -4.769 1.960 1.00 0.00 C ATOM 1884 NE ARG A 125 21.225 -5.371 2.976 1.00 0.00 N ATOM 1885 CZ ARG A 125 20.876 -5.508 4.252 1.00 0.00 C ATOM 1886 NH1 ARG A 125 19.687 -5.089 4.667 1.00 0.00 N ATOM 1887 NH2 ARG A 125 21.715 -6.065 5.113 1.00 0.00 N ATOM 0 H ARG A 125 15.952 -5.471 0.977 1.00 0.00 H new ATOM 0 HA ARG A 125 17.983 -6.663 -0.589 1.00 0.00 H new ATOM 0 HB2 ARG A 125 17.806 -5.155 1.728 1.00 0.00 H new ATOM 0 HB3 ARG A 125 18.283 -6.721 2.353 1.00 0.00 H new ATOM 0 HG2 ARG A 125 20.307 -6.739 1.111 1.00 0.00 H new ATOM 0 HG3 ARG A 125 19.761 -5.476 0.026 1.00 0.00 H new ATOM 0 HD2 ARG A 125 20.950 -4.077 1.354 1.00 0.00 H new ATOM 0 HD3 ARG A 125 19.583 -4.185 2.446 1.00 0.00 H new ATOM 0 HE ARG A 125 22.145 -5.705 2.691 1.00 0.00 H new ATOM 0 HH11 ARG A 125 19.038 -4.661 4.007 1.00 0.00 H new ATOM 0 HH12 ARG A 125 19.422 -5.195 5.646 1.00 0.00 H new ATOM 0 HH21 ARG A 125 22.629 -6.389 4.797 1.00 0.00 H new ATOM 0 HH22 ARG A 125 21.447 -6.170 6.091 1.00 0.00 H new ATOM 1901 N GLY A 126 17.525 -9.094 -0.365 1.00 0.00 N ATOM 1902 CA GLY A 126 17.430 -10.533 -0.191 1.00 0.00 C ATOM 1903 C GLY A 126 16.182 -11.114 -0.824 1.00 0.00 C ATOM 1904 O GLY A 126 15.960 -12.324 -0.780 1.00 0.00 O ATOM 0 H GLY A 126 17.733 -8.790 -1.316 1.00 0.00 H new ATOM 0 HA2 GLY A 126 18.309 -11.007 -0.628 1.00 0.00 H new ATOM 0 HA3 GLY A 126 17.437 -10.768 0.873 1.00 0.00 H new ATOM 1908 N CYS A 127 15.361 -10.249 -1.412 1.00 0.00 N ATOM 1909 CA CYS A 127 14.128 -10.677 -2.054 1.00 0.00 C ATOM 1910 C CYS A 127 14.409 -11.460 -3.331 1.00 0.00 C ATOM 1911 O CYS A 127 15.124 -10.990 -4.215 1.00 0.00 O ATOM 1912 CB CYS A 127 13.255 -9.476 -2.358 1.00 0.00 C ATOM 1913 SG CYS A 127 12.084 -9.049 -1.030 1.00 0.00 S ATOM 0 H CYS A 127 15.531 -9.244 -1.456 1.00 0.00 H new ATOM 0 HA CYS A 127 13.602 -11.338 -1.365 1.00 0.00 H new ATOM 0 HB2 CYS A 127 13.895 -8.616 -2.553 1.00 0.00 H new ATOM 0 HB3 CYS A 127 12.695 -9.670 -3.273 1.00 0.00 H new ATOM 1918 N ARG A 128 13.842 -12.658 -3.419 1.00 0.00 N ATOM 1919 CA ARG A 128 14.029 -13.511 -4.586 1.00 0.00 C ATOM 1920 C ARG A 128 13.138 -13.058 -5.739 1.00 0.00 C ATOM 1921 O ARG A 128 12.000 -13.509 -5.871 1.00 0.00 O ATOM 1922 CB ARG A 128 13.728 -14.969 -4.234 1.00 0.00 C ATOM 1923 CG ARG A 128 14.957 -15.861 -4.230 1.00 0.00 C ATOM 1924 CD ARG A 128 14.849 -16.954 -3.178 1.00 0.00 C ATOM 1925 NE ARG A 128 14.707 -16.406 -1.832 1.00 0.00 N ATOM 1926 CZ ARG A 128 15.247 -16.958 -0.749 1.00 0.00 C ATOM 1927 NH1 ARG A 128 15.964 -18.069 -0.855 1.00 0.00 N ATOM 1928 NH2 ARG A 128 15.071 -16.398 0.439 1.00 0.00 N ATOM 0 H ARG A 128 13.248 -13.061 -2.694 1.00 0.00 H new ATOM 0 HA ARG A 128 15.069 -13.430 -4.901 1.00 0.00 H new ATOM 0 HB2 ARG A 128 13.259 -15.007 -3.251 1.00 0.00 H new ATOM 0 HB3 ARG A 128 13.005 -15.364 -4.948 1.00 0.00 H new ATOM 0 HG2 ARG A 128 15.083 -16.313 -5.214 1.00 0.00 H new ATOM 0 HG3 ARG A 128 15.845 -15.258 -4.040 1.00 0.00 H new ATOM 0 HD2 ARG A 128 13.993 -17.590 -3.403 1.00 0.00 H new ATOM 0 HD3 ARG A 128 15.736 -17.587 -3.220 1.00 0.00 H new ATOM 0 HE ARG A 128 14.163 -15.551 -1.716 1.00 0.00 H new ATOM 0 HH11 ARG A 128 16.102 -18.502 -1.768 1.00 0.00 H new ATOM 0 HH12 ARG A 128 16.377 -18.491 -0.023 1.00 0.00 H new ATOM 0 HH21 ARG A 128 14.521 -15.543 0.523 1.00 0.00 H new ATOM 0 HH22 ARG A 128 15.485 -16.822 1.269 1.00 0.00 H new ATOM 1942 N LEU A 129 13.663 -12.162 -6.568 1.00 0.00 N ATOM 1943 CA LEU A 129 12.916 -11.647 -7.708 1.00 0.00 C ATOM 1944 C LEU A 129 13.854 -11.267 -8.850 1.00 0.00 C ATOM 1945 O LEU A 129 13.364 -11.092 -9.985 1.00 0.00 O ATOM 1946 CB LEU A 129 12.080 -10.435 -7.290 1.00 0.00 C ATOM 1947 CG LEU A 129 12.877 -9.155 -7.027 1.00 0.00 C ATOM 1948 CD1 LEU A 129 12.670 -8.156 -8.154 1.00 0.00 C ATOM 1949 CD2 LEU A 129 12.479 -8.546 -5.692 1.00 0.00 C ATOM 1950 OXT LEU A 129 15.071 -11.146 -8.598 1.00 0.00 O ATOM 0 H LEU A 129 14.603 -11.778 -6.471 1.00 0.00 H new ATOM 0 HA LEU A 129 12.250 -12.435 -8.060 1.00 0.00 H new ATOM 0 HB2 LEU A 129 11.346 -10.233 -8.070 1.00 0.00 H new ATOM 0 HB3 LEU A 129 11.524 -10.690 -6.388 1.00 0.00 H new ATOM 0 HG LEU A 129 13.936 -9.410 -6.987 1.00 0.00 H new ATOM 0 HD11 LEU A 129 13.244 -7.252 -7.949 1.00 0.00 H new ATOM 0 HD12 LEU A 129 13.005 -8.594 -9.094 1.00 0.00 H new ATOM 0 HD13 LEU A 129 11.612 -7.904 -8.227 1.00 0.00 H new ATOM 0 HD21 LEU A 129 13.055 -7.637 -5.521 1.00 0.00 H new ATOM 0 HD22 LEU A 129 11.416 -8.305 -5.704 1.00 0.00 H new ATOM 0 HD23 LEU A 129 12.680 -9.259 -4.892 1.00 0.00 H new