USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 721 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 55 HIS : no HD1:sc= -1.99 X(o=-2.1,f=-1.7) USER MOD Set 1.2: A 90 SER OG : rot 63:sc= -0.163 USER MOD Set 2.1: A 44 LYS NZ :NH3+ 169:sc= -0.0219 (180deg=-0.184) USER MOD Set 2.2: A 48 LYS NZ :NH3+ -168:sc= -0.0115 (180deg=-0.187) USER MOD Set 3.1: A 13 MET CE :methyl -158:sc= -2.58 (180deg=-2.27) USER MOD Set 3.2: A 14 SER OG : rot 180:sc= 0 USER MOD Set 3.3: A 17 MET CE :methyl -106:sc= -3.59! (180deg=-5.19!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -163:sc= -0.0508 (180deg=-0.457) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 147:sc= 0 (180deg=-0.0366) USER MOD Single : A 9 LYS NZ :NH3+ -165:sc= -0.0653 (180deg=-0.319) USER MOD Single : A 10 ASN : amide:sc= -0.876 K(o=-0.88,f=-5.9!) USER MOD Single : A 18 GLN : amide:sc= -5.08! C(o=-5.1!,f=-2.2!) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 CYS SG : rot 80:sc= -0.107 USER MOD Single : A 26 THR OG1 : rot 57:sc= 1.27 USER MOD Single : A 27 GLN : amide:sc= -1.71 K(o=-1.7,f=-0.84) USER MOD Single : A 29 MET CE :methyl -159:sc= -0.191 (180deg=-0.755) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -3.17 K(o=-3.2,f=-0.39) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 168:sc= -0.0199 (180deg=-0.172) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot -151:sc= -0.322 USER MOD Single : A 51 ASN : amide:sc= -2.75! K(o=-2.8!,f=-0.48) USER MOD Single : A 53 THR OG1 : rot 180:sc= -2.24! USER MOD Single : A 56 CYS SG : rot -16:sc= -9.39! USER MOD Single : A 61 SER OG : rot 15:sc= 0.542 USER MOD Single : A 63 ASN : amide:sc= -3.35! K(o=-3.4!,f=-0.55) USER MOD Single : A 66 SER OG : rot -55:sc= 1.16 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -0.283 K(o=-0.28,f=-2.6) USER MOD Single : A 72 THR OG1 : rot 0:sc= 0.722 USER MOD Single : A 73 LYS NZ :NH3+ 167:sc= -0.0234 (180deg=-0.269) USER MOD Single : A 74 HIS : no HE2:sc= -1.91 K(o=-1.9,f=-3.7!) USER MOD Single : A 77 TYR OH : rot 180:sc= -3.28! USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 159:sc= -0.186 (180deg=-0.829) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.295 17.892 14.395 1.00 0.00 N ATOM 2 CA MET A 1 8.769 18.251 13.050 1.00 0.00 C ATOM 3 C MET A 1 8.890 17.079 12.080 1.00 0.00 C ATOM 4 O MET A 1 9.992 16.715 11.668 1.00 0.00 O ATOM 5 CB MET A 1 9.553 19.455 12.526 1.00 0.00 C ATOM 6 CG MET A 1 9.437 20.686 13.408 1.00 0.00 C ATOM 7 SD MET A 1 10.364 22.092 12.764 1.00 0.00 S ATOM 8 CE MET A 1 10.010 23.331 14.006 1.00 0.00 C ATOM 0 H1 MET A 1 8.949 18.577 15.097 1.00 0.00 H new ATOM 0 H2 MET A 1 8.969 16.938 14.652 1.00 0.00 H new ATOM 0 H3 MET A 1 10.335 17.910 14.377 1.00 0.00 H new ATOM 0 HA MET A 1 7.711 18.499 13.133 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.604 19.182 12.434 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.199 19.701 11.525 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.387 20.962 13.504 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.797 20.446 14.409 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.516 24.261 13.746 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.935 23.503 14.052 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.364 22.984 14.977 1.00 0.00 H new ATOM 20 N SER A 2 7.752 16.495 11.722 1.00 0.00 N ATOM 21 CA SER A 2 7.733 15.365 10.800 1.00 0.00 C ATOM 22 C SER A 2 6.411 15.305 10.040 1.00 0.00 C ATOM 23 O SER A 2 5.484 14.602 10.443 1.00 0.00 O ATOM 24 CB SER A 2 7.956 14.056 11.560 1.00 0.00 C ATOM 25 OG SER A 2 7.933 12.945 10.680 1.00 0.00 O ATOM 0 H SER A 2 6.832 16.784 12.055 1.00 0.00 H new ATOM 0 HA SER A 2 8.540 15.502 10.080 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.913 14.092 12.080 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.184 13.937 12.321 1.00 0.00 H new ATOM 0 HG SER A 2 8.079 12.121 11.190 1.00 0.00 H new ATOM 31 N ASP A 3 6.332 16.047 8.940 1.00 0.00 N ATOM 32 CA ASP A 3 5.124 16.074 8.126 1.00 0.00 C ATOM 33 C ASP A 3 5.176 14.982 7.060 1.00 0.00 C ATOM 34 O ASP A 3 5.131 15.261 5.863 1.00 0.00 O ATOM 35 CB ASP A 3 4.956 17.448 7.470 1.00 0.00 C ATOM 36 CG ASP A 3 3.610 17.612 6.792 1.00 0.00 C ATOM 37 OD1 ASP A 3 3.309 16.832 5.864 1.00 0.00 O ATOM 38 OD2 ASP A 3 2.854 18.524 7.190 1.00 0.00 O ATOM 0 H ASP A 3 7.089 16.636 8.593 1.00 0.00 H new ATOM 0 HA ASP A 3 4.266 15.888 8.772 1.00 0.00 H new ATOM 0 HB2 ASP A 3 5.074 18.224 8.226 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.748 17.595 6.736 1.00 0.00 H new ATOM 43 N ARG A 4 5.274 13.736 7.511 1.00 0.00 N ATOM 44 CA ARG A 4 5.335 12.595 6.603 1.00 0.00 C ATOM 45 C ARG A 4 5.434 11.285 7.379 1.00 0.00 C ATOM 46 O ARG A 4 6.473 10.627 7.383 1.00 0.00 O ATOM 47 CB ARG A 4 6.524 12.733 5.649 1.00 0.00 C ATOM 48 CG ARG A 4 7.859 12.919 6.353 1.00 0.00 C ATOM 49 CD ARG A 4 8.999 13.056 5.357 1.00 0.00 C ATOM 50 NE ARG A 4 10.293 13.211 6.019 1.00 0.00 N ATOM 51 CZ ARG A 4 10.874 12.260 6.747 1.00 0.00 C ATOM 52 NH1 ARG A 4 10.305 11.067 6.875 1.00 0.00 N ATOM 53 NH2 ARG A 4 12.037 12.497 7.339 1.00 0.00 N ATOM 0 H ARG A 4 5.313 13.490 8.500 1.00 0.00 H new ATOM 0 HA ARG A 4 4.415 12.580 6.019 1.00 0.00 H new ATOM 0 HB2 ARG A 4 6.577 11.845 5.019 1.00 0.00 H new ATOM 0 HB3 ARG A 4 6.351 13.583 4.989 1.00 0.00 H new ATOM 0 HG2 ARG A 4 7.818 13.806 6.985 1.00 0.00 H new ATOM 0 HG3 ARG A 4 8.047 12.069 7.009 1.00 0.00 H new ATOM 0 HD2 ARG A 4 9.025 12.177 4.713 1.00 0.00 H new ATOM 0 HD3 ARG A 4 8.816 13.917 4.714 1.00 0.00 H new ATOM 0 HE ARG A 4 10.780 14.101 5.917 1.00 0.00 H new ATOM 0 HH11 ARG A 4 9.416 10.874 6.414 1.00 0.00 H new ATOM 0 HH12 ARG A 4 10.757 10.344 7.435 1.00 0.00 H new ATOM 0 HH21 ARG A 4 12.485 13.407 7.236 1.00 0.00 H new ATOM 0 HH22 ARG A 4 12.483 11.769 7.897 1.00 0.00 H new ATOM 67 N LYS A 5 4.341 10.912 8.033 1.00 0.00 N ATOM 68 CA LYS A 5 4.299 9.680 8.812 1.00 0.00 C ATOM 69 C LYS A 5 4.666 8.468 7.963 1.00 0.00 C ATOM 70 O LYS A 5 5.824 8.051 7.929 1.00 0.00 O ATOM 71 CB LYS A 5 2.914 9.484 9.432 1.00 0.00 C ATOM 72 CG LYS A 5 2.674 10.323 10.674 1.00 0.00 C ATOM 73 CD LYS A 5 1.268 10.129 11.224 1.00 0.00 C ATOM 74 CE LYS A 5 0.912 8.655 11.358 1.00 0.00 C ATOM 75 NZ LYS A 5 1.884 7.923 12.217 1.00 0.00 N ATOM 0 H LYS A 5 3.471 11.445 8.040 1.00 0.00 H new ATOM 0 HA LYS A 5 5.037 9.771 9.609 1.00 0.00 H new ATOM 0 HB2 LYS A 5 2.155 9.728 8.688 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.785 8.432 9.685 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.403 10.057 11.439 1.00 0.00 H new ATOM 0 HG3 LYS A 5 2.830 11.376 10.437 1.00 0.00 H new ATOM 0 HD2 LYS A 5 1.189 10.612 12.198 1.00 0.00 H new ATOM 0 HD3 LYS A 5 0.550 10.618 10.566 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.088 8.560 11.780 1.00 0.00 H new ATOM 0 HE3 LYS A 5 0.885 8.197 10.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 1.390 7.168 12.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 2.628 7.506 11.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 2.313 8.584 12.896 1.00 0.00 H new ATOM 89 N ALA A 6 3.675 7.897 7.287 1.00 0.00 N ATOM 90 CA ALA A 6 3.899 6.726 6.453 1.00 0.00 C ATOM 91 C ALA A 6 4.440 5.573 7.288 1.00 0.00 C ATOM 92 O ALA A 6 5.636 5.283 7.261 1.00 0.00 O ATOM 93 CB ALA A 6 4.858 7.057 5.318 1.00 0.00 C ATOM 0 H ALA A 6 2.710 8.227 7.301 1.00 0.00 H new ATOM 0 HA ALA A 6 2.945 6.422 6.022 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.015 6.170 4.704 1.00 0.00 H new ATOM 0 HB2 ALA A 6 4.435 7.853 4.705 1.00 0.00 H new ATOM 0 HB3 ALA A 6 5.812 7.385 5.731 1.00 0.00 H new ATOM 99 N VAL A 7 3.556 4.923 8.041 1.00 0.00 N ATOM 100 CA VAL A 7 3.968 3.810 8.891 1.00 0.00 C ATOM 101 C VAL A 7 2.983 2.648 8.808 1.00 0.00 C ATOM 102 O VAL A 7 1.832 2.826 8.422 1.00 0.00 O ATOM 103 CB VAL A 7 4.101 4.254 10.362 1.00 0.00 C ATOM 104 CG1 VAL A 7 4.602 3.109 11.230 1.00 0.00 C ATOM 105 CG2 VAL A 7 5.025 5.458 10.472 1.00 0.00 C ATOM 0 H VAL A 7 2.561 5.144 8.080 1.00 0.00 H new ATOM 0 HA VAL A 7 4.939 3.477 8.525 1.00 0.00 H new ATOM 0 HB VAL A 7 3.114 4.543 10.723 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.688 3.446 12.263 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.899 2.278 11.177 1.00 0.00 H new ATOM 0 HG13 VAL A 7 5.578 2.782 10.873 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.108 5.759 11.516 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.012 5.195 10.090 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.618 6.284 9.888 1.00 0.00 H new ATOM 115 N ILE A 8 3.447 1.458 9.177 1.00 0.00 N ATOM 116 CA ILE A 8 2.608 0.267 9.150 1.00 0.00 C ATOM 117 C ILE A 8 1.941 0.046 10.504 1.00 0.00 C ATOM 118 O ILE A 8 2.557 0.255 11.550 1.00 0.00 O ATOM 119 CB ILE A 8 3.425 -0.986 8.779 1.00 0.00 C ATOM 120 CG1 ILE A 8 4.171 -0.761 7.463 1.00 0.00 C ATOM 121 CG2 ILE A 8 2.516 -2.204 8.677 1.00 0.00 C ATOM 122 CD1 ILE A 8 4.988 -1.954 7.020 1.00 0.00 C ATOM 0 H ILE A 8 4.401 1.294 9.499 1.00 0.00 H new ATOM 0 HA ILE A 8 1.844 0.428 8.390 1.00 0.00 H new ATOM 0 HB ILE A 8 4.157 -1.170 9.565 1.00 0.00 H new ATOM 0 HG12 ILE A 8 3.450 -0.515 6.683 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.830 0.101 7.571 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.109 -3.080 8.414 1.00 0.00 H new ATOM 0 HG22 ILE A 8 2.025 -2.373 9.635 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.763 -2.032 7.908 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.489 -1.723 6.080 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.733 -2.188 7.781 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.331 -2.813 6.879 1.00 0.00 H new ATOM 134 N LYS A 9 0.681 -0.376 10.482 1.00 0.00 N ATOM 135 CA LYS A 9 -0.061 -0.618 11.713 1.00 0.00 C ATOM 136 C LYS A 9 0.122 -2.055 12.193 1.00 0.00 C ATOM 137 O LYS A 9 0.770 -2.301 13.211 1.00 0.00 O ATOM 138 CB LYS A 9 -1.547 -0.319 11.510 1.00 0.00 C ATOM 139 CG LYS A 9 -2.391 -0.553 12.754 1.00 0.00 C ATOM 140 CD LYS A 9 -3.840 -0.153 12.532 1.00 0.00 C ATOM 141 CE LYS A 9 -3.973 1.341 12.283 1.00 0.00 C ATOM 142 NZ LYS A 9 -3.480 2.141 13.438 1.00 0.00 N ATOM 0 H LYS A 9 0.154 -0.557 9.628 1.00 0.00 H new ATOM 0 HA LYS A 9 0.334 0.051 12.477 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.660 0.718 11.194 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.927 -0.942 10.701 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.343 -1.605 13.034 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.979 0.018 13.586 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.244 -0.702 11.682 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.433 -0.432 13.403 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.413 1.611 11.388 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.018 1.586 12.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.812 3.122 13.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.843 1.733 14.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.440 2.128 13.451 1.00 0.00 H new ATOM 156 N ASN A 10 -0.450 -3.004 11.457 1.00 0.00 N ATOM 157 CA ASN A 10 -0.346 -4.412 11.814 1.00 0.00 C ATOM 158 C ASN A 10 -0.510 -5.294 10.584 1.00 0.00 C ATOM 159 O ASN A 10 -0.963 -4.833 9.537 1.00 0.00 O ATOM 160 CB ASN A 10 -1.392 -4.773 12.862 1.00 0.00 C ATOM 161 CG ASN A 10 -2.794 -4.588 12.344 1.00 0.00 C ATOM 162 OD1 ASN A 10 -3.240 -3.464 12.104 1.00 0.00 O ATOM 163 ND2 ASN A 10 -3.490 -5.692 12.150 1.00 0.00 N ATOM 0 H ASN A 10 -0.989 -2.822 10.611 1.00 0.00 H new ATOM 0 HA ASN A 10 0.645 -4.585 12.233 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -1.253 -5.809 13.171 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.248 -4.154 13.747 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.441 -5.638 11.786 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -3.077 -6.600 12.364 1.00 0.00 H new ATOM 170 N ALA A 11 -0.138 -6.561 10.713 1.00 0.00 N ATOM 171 CA ALA A 11 -0.245 -7.494 9.602 1.00 0.00 C ATOM 172 C ALA A 11 -0.226 -8.940 10.080 1.00 0.00 C ATOM 173 O ALA A 11 0.758 -9.402 10.658 1.00 0.00 O ATOM 174 CB ALA A 11 0.875 -7.253 8.602 1.00 0.00 C ATOM 0 H ALA A 11 0.238 -6.963 11.571 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.203 -7.320 9.113 1.00 0.00 H new ATOM 0 HB1 ALA A 11 0.783 -7.958 7.776 1.00 0.00 H new ATOM 0 HB2 ALA A 11 0.808 -6.235 8.219 1.00 0.00 H new ATOM 0 HB3 ALA A 11 1.838 -7.393 9.093 1.00 0.00 H new ATOM 180 N ASP A 12 -1.317 -9.652 9.820 1.00 0.00 N ATOM 181 CA ASP A 12 -1.429 -11.050 10.208 1.00 0.00 C ATOM 182 C ASP A 12 -1.293 -11.951 8.985 1.00 0.00 C ATOM 183 O ASP A 12 -2.038 -12.917 8.823 1.00 0.00 O ATOM 184 CB ASP A 12 -2.770 -11.305 10.900 1.00 0.00 C ATOM 185 CG ASP A 12 -2.941 -10.469 12.155 1.00 0.00 C ATOM 186 OD1 ASP A 12 -2.113 -10.610 13.079 1.00 0.00 O ATOM 187 OD2 ASP A 12 -3.901 -9.672 12.210 1.00 0.00 O ATOM 0 H ASP A 12 -2.138 -9.281 9.341 1.00 0.00 H new ATOM 0 HA ASP A 12 -0.624 -11.280 10.906 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.581 -11.085 10.206 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.848 -12.361 11.157 1.00 0.00 H new ATOM 192 N MET A 13 -0.332 -11.622 8.127 1.00 0.00 N ATOM 193 CA MET A 13 -0.089 -12.390 6.917 1.00 0.00 C ATOM 194 C MET A 13 1.162 -13.245 7.078 1.00 0.00 C ATOM 195 O MET A 13 1.827 -13.193 8.113 1.00 0.00 O ATOM 196 CB MET A 13 0.071 -11.446 5.725 1.00 0.00 C ATOM 197 CG MET A 13 -1.161 -10.605 5.430 1.00 0.00 C ATOM 198 SD MET A 13 -2.503 -11.568 4.713 1.00 0.00 S ATOM 199 CE MET A 13 -1.729 -12.162 3.213 1.00 0.00 C ATOM 0 H MET A 13 0.292 -10.825 8.251 1.00 0.00 H new ATOM 0 HA MET A 13 -0.941 -13.047 6.739 1.00 0.00 H new ATOM 0 HB2 MET A 13 0.915 -10.782 5.912 1.00 0.00 H new ATOM 0 HB3 MET A 13 0.317 -12.033 4.840 1.00 0.00 H new ATOM 0 HG2 MET A 13 -1.507 -10.138 6.352 1.00 0.00 H new ATOM 0 HG3 MET A 13 -0.891 -9.800 4.747 1.00 0.00 H new ATOM 0 HE1 MET A 13 -2.498 -12.428 2.488 1.00 0.00 H new ATOM 0 HE2 MET A 13 -1.093 -11.380 2.797 1.00 0.00 H new ATOM 0 HE3 MET A 13 -1.124 -13.040 3.439 1.00 0.00 H new ATOM 209 N SER A 14 1.489 -14.029 6.055 1.00 0.00 N ATOM 210 CA SER A 14 2.671 -14.879 6.105 1.00 0.00 C ATOM 211 C SER A 14 3.922 -14.038 6.322 1.00 0.00 C ATOM 212 O SER A 14 4.729 -14.335 7.200 1.00 0.00 O ATOM 213 CB SER A 14 2.804 -15.698 4.819 1.00 0.00 C ATOM 214 OG SER A 14 1.648 -16.485 4.591 1.00 0.00 O ATOM 0 H SER A 14 0.956 -14.093 5.188 1.00 0.00 H new ATOM 0 HA SER A 14 2.560 -15.567 6.943 1.00 0.00 H new ATOM 0 HB2 SER A 14 2.964 -15.029 3.974 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.680 -16.344 4.885 1.00 0.00 H new ATOM 0 HG SER A 14 1.759 -16.997 3.763 1.00 0.00 H new ATOM 220 N GLU A 15 4.049 -12.977 5.518 1.00 0.00 N ATOM 221 CA GLU A 15 5.176 -12.032 5.584 1.00 0.00 C ATOM 222 C GLU A 15 5.605 -11.588 4.192 1.00 0.00 C ATOM 223 O GLU A 15 5.962 -10.429 3.980 1.00 0.00 O ATOM 224 CB GLU A 15 6.392 -12.615 6.320 1.00 0.00 C ATOM 225 CG GLU A 15 6.970 -13.859 5.663 1.00 0.00 C ATOM 226 CD GLU A 15 8.154 -14.425 6.424 1.00 0.00 C ATOM 227 OE1 GLU A 15 8.524 -13.846 7.467 1.00 0.00 O ATOM 228 OE2 GLU A 15 8.710 -15.451 5.977 1.00 0.00 O ATOM 0 H GLU A 15 3.367 -12.745 4.795 1.00 0.00 H new ATOM 0 HA GLU A 15 4.814 -11.173 6.149 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.169 -11.853 6.379 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.104 -12.857 7.343 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.193 -14.620 5.589 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.278 -13.618 4.646 1.00 0.00 H new ATOM 235 N ASP A 16 5.566 -12.506 3.242 1.00 0.00 N ATOM 236 CA ASP A 16 5.953 -12.183 1.878 1.00 0.00 C ATOM 237 C ASP A 16 5.003 -11.155 1.283 1.00 0.00 C ATOM 238 O ASP A 16 5.312 -10.525 0.272 1.00 0.00 O ATOM 239 CB ASP A 16 5.981 -13.443 1.013 1.00 0.00 C ATOM 240 CG ASP A 16 6.963 -14.478 1.526 1.00 0.00 C ATOM 241 OD1 ASP A 16 8.169 -14.163 1.604 1.00 0.00 O ATOM 242 OD2 ASP A 16 6.527 -15.601 1.851 1.00 0.00 O ATOM 0 H ASP A 16 5.273 -13.472 3.386 1.00 0.00 H new ATOM 0 HA ASP A 16 6.956 -11.757 1.900 1.00 0.00 H new ATOM 0 HB2 ASP A 16 4.983 -13.879 0.980 1.00 0.00 H new ATOM 0 HB3 ASP A 16 6.245 -13.172 -0.009 1.00 0.00 H new ATOM 247 N MET A 17 3.849 -10.977 1.919 1.00 0.00 N ATOM 248 CA MET A 17 2.875 -10.011 1.443 1.00 0.00 C ATOM 249 C MET A 17 3.093 -8.665 2.085 1.00 0.00 C ATOM 250 O MET A 17 3.054 -7.644 1.410 1.00 0.00 O ATOM 251 CB MET A 17 1.448 -10.506 1.679 1.00 0.00 C ATOM 252 CG MET A 17 1.007 -11.582 0.701 1.00 0.00 C ATOM 253 SD MET A 17 2.007 -13.078 0.806 1.00 0.00 S ATOM 254 CE MET A 17 1.693 -13.570 2.497 1.00 0.00 C ATOM 0 H MET A 17 3.570 -11.486 2.758 1.00 0.00 H new ATOM 0 HA MET A 17 3.015 -9.897 0.368 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.371 -10.896 2.694 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.763 -9.661 1.609 1.00 0.00 H new ATOM 0 HG2 MET A 17 -0.036 -11.834 0.892 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.059 -11.187 -0.314 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.571 -13.357 3.107 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.839 -13.015 2.885 1.00 0.00 H new ATOM 0 HE3 MET A 17 1.478 -14.638 2.531 1.00 0.00 H new ATOM 264 N GLN A 18 3.359 -8.656 3.377 1.00 0.00 N ATOM 265 CA GLN A 18 3.627 -7.402 4.048 1.00 0.00 C ATOM 266 C GLN A 18 4.907 -6.808 3.470 1.00 0.00 C ATOM 267 O GLN A 18 5.143 -5.604 3.555 1.00 0.00 O ATOM 268 CB GLN A 18 3.726 -7.607 5.561 1.00 0.00 C ATOM 269 CG GLN A 18 4.810 -8.583 5.982 1.00 0.00 C ATOM 270 CD GLN A 18 4.641 -9.111 7.402 1.00 0.00 C ATOM 271 OE1 GLN A 18 5.556 -9.721 7.954 1.00 0.00 O ATOM 272 NE2 GLN A 18 3.463 -8.911 7.996 1.00 0.00 N ATOM 0 H GLN A 18 3.395 -9.484 3.971 1.00 0.00 H new ATOM 0 HA GLN A 18 2.806 -6.705 3.881 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.914 -6.644 6.036 1.00 0.00 H new ATOM 0 HB3 GLN A 18 2.766 -7.964 5.933 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.818 -9.425 5.289 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.780 -8.093 5.899 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.726 -8.401 7.509 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.299 -9.268 8.937 1.00 0.00 H new ATOM 281 N GLN A 19 5.715 -7.665 2.828 1.00 0.00 N ATOM 282 CA GLN A 19 6.947 -7.219 2.195 1.00 0.00 C ATOM 283 C GLN A 19 6.654 -6.719 0.786 1.00 0.00 C ATOM 284 O GLN A 19 7.063 -5.622 0.404 1.00 0.00 O ATOM 285 CB GLN A 19 7.979 -8.349 2.155 1.00 0.00 C ATOM 286 CG GLN A 19 8.490 -8.754 3.528 1.00 0.00 C ATOM 287 CD GLN A 19 9.481 -9.900 3.466 1.00 0.00 C ATOM 288 OE1 GLN A 19 10.532 -9.792 2.834 1.00 0.00 O ATOM 289 NE2 GLN A 19 9.150 -11.005 4.122 1.00 0.00 N ATOM 0 H GLN A 19 5.531 -8.664 2.738 1.00 0.00 H new ATOM 0 HA GLN A 19 7.363 -6.402 2.784 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.535 -9.219 1.671 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.823 -8.038 1.540 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.963 -7.895 4.004 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.646 -9.041 4.155 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.268 -11.050 4.633 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.777 -11.809 4.115 1.00 0.00 H new ATOM 298 N ASP A 20 5.917 -7.522 0.027 1.00 0.00 N ATOM 299 CA ASP A 20 5.542 -7.149 -1.330 1.00 0.00 C ATOM 300 C ASP A 20 4.518 -6.022 -1.292 1.00 0.00 C ATOM 301 O ASP A 20 4.333 -5.298 -2.269 1.00 0.00 O ATOM 302 CB ASP A 20 4.972 -8.351 -2.083 1.00 0.00 C ATOM 303 CG ASP A 20 5.967 -9.492 -2.193 1.00 0.00 C ATOM 304 OD1 ASP A 20 7.100 -9.345 -1.685 1.00 0.00 O ATOM 305 OD2 ASP A 20 5.615 -10.531 -2.789 1.00 0.00 O ATOM 0 H ASP A 20 5.569 -8.432 0.328 1.00 0.00 H new ATOM 0 HA ASP A 20 6.434 -6.807 -1.855 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.075 -8.703 -1.573 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.669 -8.039 -3.083 1.00 0.00 H new ATOM 310 N ALA A 21 3.872 -5.871 -0.142 1.00 0.00 N ATOM 311 CA ALA A 21 2.882 -4.826 0.049 1.00 0.00 C ATOM 312 C ALA A 21 3.579 -3.508 0.322 1.00 0.00 C ATOM 313 O ALA A 21 3.269 -2.491 -0.294 1.00 0.00 O ATOM 314 CB ALA A 21 1.931 -5.185 1.180 1.00 0.00 C ATOM 0 H ALA A 21 4.019 -6.464 0.675 1.00 0.00 H new ATOM 0 HA ALA A 21 2.289 -4.727 -0.860 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.198 -4.388 1.306 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.417 -6.116 0.942 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.495 -5.308 2.105 1.00 0.00 H new ATOM 320 N VAL A 22 4.551 -3.537 1.229 1.00 0.00 N ATOM 321 CA VAL A 22 5.311 -2.338 1.543 1.00 0.00 C ATOM 322 C VAL A 22 6.031 -1.850 0.295 1.00 0.00 C ATOM 323 O VAL A 22 6.243 -0.652 0.117 1.00 0.00 O ATOM 324 CB VAL A 22 6.342 -2.578 2.669 1.00 0.00 C ATOM 325 CG1 VAL A 22 7.162 -1.320 2.928 1.00 0.00 C ATOM 326 CG2 VAL A 22 5.648 -3.029 3.944 1.00 0.00 C ATOM 0 H VAL A 22 4.826 -4.368 1.752 1.00 0.00 H new ATOM 0 HA VAL A 22 4.606 -1.585 1.895 1.00 0.00 H new ATOM 0 HB VAL A 22 7.019 -3.369 2.345 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.881 -1.512 3.724 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.694 -1.039 2.019 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.499 -0.508 3.226 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.391 -3.193 4.724 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.946 -2.261 4.267 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.109 -3.958 3.756 1.00 0.00 H new ATOM 336 N ASP A 23 6.382 -2.788 -0.582 1.00 0.00 N ATOM 337 CA ASP A 23 7.053 -2.435 -1.826 1.00 0.00 C ATOM 338 C ASP A 23 6.036 -1.984 -2.840 1.00 0.00 C ATOM 339 O ASP A 23 6.129 -0.883 -3.368 1.00 0.00 O ATOM 340 CB ASP A 23 7.876 -3.607 -2.364 1.00 0.00 C ATOM 341 CG ASP A 23 8.953 -4.056 -1.394 1.00 0.00 C ATOM 342 OD1 ASP A 23 9.060 -3.454 -0.304 1.00 0.00 O ATOM 343 OD2 ASP A 23 9.691 -5.007 -1.724 1.00 0.00 O ATOM 0 H ASP A 23 6.215 -3.786 -0.455 1.00 0.00 H new ATOM 0 HA ASP A 23 7.744 -1.616 -1.628 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.212 -4.445 -2.578 1.00 0.00 H new ATOM 0 HB3 ASP A 23 8.339 -3.318 -3.308 1.00 0.00 H new ATOM 348 N CYS A 24 5.031 -2.804 -3.081 1.00 0.00 N ATOM 349 CA CYS A 24 3.984 -2.412 -4.004 1.00 0.00 C ATOM 350 C CYS A 24 3.325 -1.133 -3.499 1.00 0.00 C ATOM 351 O CYS A 24 2.670 -0.423 -4.257 1.00 0.00 O ATOM 352 CB CYS A 24 2.946 -3.526 -4.167 1.00 0.00 C ATOM 353 SG CYS A 24 3.567 -4.997 -5.017 1.00 0.00 S ATOM 0 H CYS A 24 4.918 -3.726 -2.661 1.00 0.00 H new ATOM 0 HA CYS A 24 4.425 -2.231 -4.984 1.00 0.00 H new ATOM 0 HB2 CYS A 24 2.582 -3.816 -3.181 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.092 -3.134 -4.719 1.00 0.00 H new ATOM 0 HG CYS A 24 4.250 -5.724 -4.183 1.00 0.00 H new ATOM 359 N ALA A 25 3.534 -0.828 -2.213 1.00 0.00 N ATOM 360 CA ALA A 25 2.986 0.383 -1.622 1.00 0.00 C ATOM 361 C ALA A 25 3.925 1.550 -1.878 1.00 0.00 C ATOM 362 O ALA A 25 3.490 2.667 -2.155 1.00 0.00 O ATOM 363 CB ALA A 25 2.760 0.194 -0.130 1.00 0.00 C ATOM 0 H ALA A 25 4.077 -1.404 -1.570 1.00 0.00 H new ATOM 0 HA ALA A 25 2.023 0.598 -2.085 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.350 1.110 0.295 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.060 -0.626 0.031 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.708 -0.038 0.355 1.00 0.00 H new ATOM 369 N THR A 26 5.223 1.273 -1.802 1.00 0.00 N ATOM 370 CA THR A 26 6.233 2.291 -2.042 1.00 0.00 C ATOM 371 C THR A 26 6.281 2.643 -3.522 1.00 0.00 C ATOM 372 O THR A 26 6.306 3.814 -3.895 1.00 0.00 O ATOM 373 CB THR A 26 7.605 1.808 -1.568 1.00 0.00 C ATOM 374 OG1 THR A 26 7.580 1.505 -0.184 1.00 0.00 O ATOM 375 CG2 THR A 26 8.708 2.821 -1.794 1.00 0.00 C ATOM 0 H THR A 26 5.597 0.352 -1.576 1.00 0.00 H new ATOM 0 HA THR A 26 5.967 3.184 -1.476 1.00 0.00 H new ATOM 0 HB THR A 26 7.819 0.921 -2.164 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.887 0.834 -0.008 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.654 2.415 -1.436 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.788 3.041 -2.859 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.477 3.737 -1.251 1.00 0.00 H new ATOM 383 N GLN A 27 6.263 1.617 -4.363 1.00 0.00 N ATOM 384 CA GLN A 27 6.278 1.824 -5.804 1.00 0.00 C ATOM 385 C GLN A 27 4.944 2.385 -6.256 1.00 0.00 C ATOM 386 O GLN A 27 4.884 3.206 -7.170 1.00 0.00 O ATOM 387 CB GLN A 27 6.597 0.526 -6.553 1.00 0.00 C ATOM 388 CG GLN A 27 8.083 0.324 -6.830 1.00 0.00 C ATOM 389 CD GLN A 27 8.932 0.151 -5.579 1.00 0.00 C ATOM 390 OE1 GLN A 27 10.138 0.401 -5.605 1.00 0.00 O ATOM 391 NE2 GLN A 27 8.330 -0.318 -4.492 1.00 0.00 N ATOM 0 H GLN A 27 6.238 0.639 -4.074 1.00 0.00 H new ATOM 0 HA GLN A 27 7.066 2.540 -6.038 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.227 -0.318 -5.971 1.00 0.00 H new ATOM 0 HB3 GLN A 27 6.057 0.522 -7.500 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.207 -0.554 -7.464 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.456 1.179 -7.393 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.329 -0.514 -4.508 1.00 0.00 H new ATOM 0 HE22 GLN A 27 8.869 -0.483 -3.642 1.00 0.00 H new ATOM 400 N ALA A 28 3.870 1.953 -5.603 1.00 0.00 N ATOM 401 CA ALA A 28 2.550 2.445 -5.949 1.00 0.00 C ATOM 402 C ALA A 28 2.449 3.940 -5.669 1.00 0.00 C ATOM 403 O ALA A 28 1.786 4.674 -6.399 1.00 0.00 O ATOM 404 CB ALA A 28 1.468 1.692 -5.191 1.00 0.00 C ATOM 0 H ALA A 28 3.890 1.273 -4.843 1.00 0.00 H new ATOM 0 HA ALA A 28 2.397 2.276 -7.015 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.489 2.082 -5.470 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.520 0.632 -5.439 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.618 1.821 -4.119 1.00 0.00 H new ATOM 410 N MET A 29 3.121 4.385 -4.612 1.00 0.00 N ATOM 411 CA MET A 29 3.112 5.796 -4.244 1.00 0.00 C ATOM 412 C MET A 29 4.122 6.580 -5.074 1.00 0.00 C ATOM 413 O MET A 29 3.990 7.793 -5.243 1.00 0.00 O ATOM 414 CB MET A 29 3.406 5.967 -2.752 1.00 0.00 C ATOM 415 CG MET A 29 2.306 5.432 -1.850 1.00 0.00 C ATOM 416 SD MET A 29 0.736 6.285 -2.087 1.00 0.00 S ATOM 417 CE MET A 29 1.199 7.966 -1.680 1.00 0.00 C ATOM 0 H MET A 29 3.677 3.791 -3.997 1.00 0.00 H new ATOM 0 HA MET A 29 2.117 6.191 -4.450 1.00 0.00 H new ATOM 0 HB2 MET A 29 4.340 5.458 -2.514 1.00 0.00 H new ATOM 0 HB3 MET A 29 3.557 7.025 -2.539 1.00 0.00 H new ATOM 0 HG2 MET A 29 2.169 4.368 -2.042 1.00 0.00 H new ATOM 0 HG3 MET A 29 2.615 5.531 -0.809 1.00 0.00 H new ATOM 0 HE1 MET A 29 0.308 8.535 -1.415 1.00 0.00 H new ATOM 0 HE2 MET A 29 1.889 7.959 -0.836 1.00 0.00 H new ATOM 0 HE3 MET A 29 1.682 8.429 -2.540 1.00 0.00 H new ATOM 427 N GLU A 30 5.119 5.880 -5.606 1.00 0.00 N ATOM 428 CA GLU A 30 6.133 6.515 -6.435 1.00 0.00 C ATOM 429 C GLU A 30 5.657 6.574 -7.878 1.00 0.00 C ATOM 430 O GLU A 30 5.888 7.557 -8.583 1.00 0.00 O ATOM 431 CB GLU A 30 7.462 5.761 -6.344 1.00 0.00 C ATOM 432 CG GLU A 30 8.154 5.904 -4.998 1.00 0.00 C ATOM 433 CD GLU A 30 9.436 5.098 -4.913 1.00 0.00 C ATOM 434 OE1 GLU A 30 10.350 5.351 -5.725 1.00 0.00 O ATOM 435 OE2 GLU A 30 9.526 4.217 -4.034 1.00 0.00 O ATOM 0 H GLU A 30 5.245 4.876 -5.477 1.00 0.00 H new ATOM 0 HA GLU A 30 6.294 7.529 -6.070 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.284 4.704 -6.541 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.129 6.123 -7.126 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.378 6.956 -4.819 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.474 5.583 -4.208 1.00 0.00 H new ATOM 442 N LYS A 31 4.972 5.519 -8.303 1.00 0.00 N ATOM 443 CA LYS A 31 4.439 5.451 -9.656 1.00 0.00 C ATOM 444 C LYS A 31 3.090 6.160 -9.723 1.00 0.00 C ATOM 445 O LYS A 31 2.773 6.820 -10.711 1.00 0.00 O ATOM 446 CB LYS A 31 4.288 3.993 -10.097 1.00 0.00 C ATOM 447 CG LYS A 31 3.721 3.836 -11.499 1.00 0.00 C ATOM 448 CD LYS A 31 4.610 4.503 -12.537 1.00 0.00 C ATOM 449 CE LYS A 31 4.044 4.344 -13.938 1.00 0.00 C ATOM 450 NZ LYS A 31 4.907 4.996 -14.962 1.00 0.00 N ATOM 0 H LYS A 31 4.773 4.699 -7.729 1.00 0.00 H new ATOM 0 HA LYS A 31 5.136 5.949 -10.331 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.262 3.506 -10.052 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.639 3.474 -9.392 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.617 2.777 -11.734 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.722 4.271 -11.540 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.713 5.563 -12.303 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.609 4.069 -12.495 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.942 3.284 -14.170 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.044 4.776 -13.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.487 4.865 -15.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.984 6.012 -14.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.854 4.566 -14.943 1.00 0.00 H new ATOM 464 N TYR A 32 2.314 6.028 -8.650 1.00 0.00 N ATOM 465 CA TYR A 32 0.998 6.659 -8.556 1.00 0.00 C ATOM 466 C TYR A 32 0.924 7.523 -7.308 1.00 0.00 C ATOM 467 O TYR A 32 1.346 7.112 -6.229 1.00 0.00 O ATOM 468 CB TYR A 32 -0.107 5.595 -8.536 1.00 0.00 C ATOM 469 CG TYR A 32 -0.309 4.876 -9.856 1.00 0.00 C ATOM 470 CD1 TYR A 32 0.226 5.368 -11.043 1.00 0.00 C ATOM 471 CD2 TYR A 32 -1.050 3.702 -9.914 1.00 0.00 C ATOM 472 CE1 TYR A 32 0.030 4.710 -12.243 1.00 0.00 C ATOM 473 CE2 TYR A 32 -1.250 3.038 -11.111 1.00 0.00 C ATOM 474 CZ TYR A 32 -0.707 3.546 -12.272 1.00 0.00 C ATOM 475 OH TYR A 32 -0.904 2.890 -13.464 1.00 0.00 O ATOM 0 H TYR A 32 2.576 5.485 -7.827 1.00 0.00 H new ATOM 0 HA TYR A 32 0.849 7.292 -9.431 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.128 4.859 -7.768 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.045 6.069 -8.247 1.00 0.00 H new ATOM 0 HD1 TYR A 32 0.804 6.280 -11.026 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.478 3.300 -9.007 1.00 0.00 H new ATOM 0 HE1 TYR A 32 0.453 5.107 -13.154 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -1.829 2.126 -11.136 1.00 0.00 H new ATOM 0 HH TYR A 32 -1.444 2.087 -13.310 1.00 0.00 H new ATOM 485 N ASN A 33 0.394 8.727 -7.463 1.00 0.00 N ATOM 486 CA ASN A 33 0.273 9.653 -6.350 1.00 0.00 C ATOM 487 C ASN A 33 -1.188 9.870 -5.981 1.00 0.00 C ATOM 488 O ASN A 33 -1.514 10.758 -5.195 1.00 0.00 O ATOM 489 CB ASN A 33 0.929 10.994 -6.699 1.00 0.00 C ATOM 490 CG ASN A 33 2.423 10.888 -6.981 1.00 0.00 C ATOM 491 OD1 ASN A 33 3.040 11.849 -7.442 1.00 0.00 O ATOM 492 ND2 ASN A 33 3.027 9.735 -6.689 1.00 0.00 N ATOM 0 H ASN A 33 0.041 9.085 -8.350 1.00 0.00 H new ATOM 0 HA ASN A 33 0.785 9.219 -5.491 1.00 0.00 H new ATOM 0 HB2 ASN A 33 0.432 11.415 -7.573 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.772 11.691 -5.876 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.029 9.630 -6.846 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.487 8.958 -6.308 1.00 0.00 H new ATOM 499 N ILE A 34 -2.072 9.051 -6.550 1.00 0.00 N ATOM 500 CA ILE A 34 -3.492 9.167 -6.266 1.00 0.00 C ATOM 501 C ILE A 34 -3.865 8.288 -5.073 1.00 0.00 C ATOM 502 O ILE A 34 -2.999 7.884 -4.299 1.00 0.00 O ATOM 503 CB ILE A 34 -4.354 8.751 -7.480 1.00 0.00 C ATOM 504 CG1 ILE A 34 -3.529 8.744 -8.770 1.00 0.00 C ATOM 505 CG2 ILE A 34 -5.566 9.667 -7.606 1.00 0.00 C ATOM 506 CD1 ILE A 34 -4.354 8.821 -10.041 1.00 0.00 C ATOM 0 H ILE A 34 -1.828 8.308 -7.204 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.691 10.214 -6.039 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.708 7.733 -7.316 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.837 9.586 -8.749 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.926 7.836 -8.797 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.164 9.363 -8.465 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.169 9.599 -6.701 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.232 10.696 -7.742 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.691 8.811 -10.906 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.028 7.966 -10.090 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.937 9.742 -10.041 1.00 0.00 H new ATOM 518 N GLU A 35 -5.152 7.986 -4.938 1.00 0.00 N ATOM 519 CA GLU A 35 -5.630 7.142 -3.856 1.00 0.00 C ATOM 520 C GLU A 35 -6.383 5.940 -4.414 1.00 0.00 C ATOM 521 O GLU A 35 -6.385 4.863 -3.818 1.00 0.00 O ATOM 522 CB GLU A 35 -6.533 7.938 -2.911 1.00 0.00 C ATOM 523 CG GLU A 35 -5.841 9.130 -2.267 1.00 0.00 C ATOM 524 CD GLU A 35 -4.672 8.728 -1.387 1.00 0.00 C ATOM 525 OE1 GLU A 35 -4.417 7.512 -1.254 1.00 0.00 O ATOM 526 OE2 GLU A 35 -4.014 9.630 -0.829 1.00 0.00 O ATOM 0 H GLU A 35 -5.883 8.316 -5.568 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.768 6.785 -3.293 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.404 8.290 -3.464 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.900 7.275 -2.128 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.487 9.804 -3.047 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.565 9.685 -1.670 1.00 0.00 H new ATOM 533 N LYS A 36 -7.011 6.130 -5.571 1.00 0.00 N ATOM 534 CA LYS A 36 -7.755 5.063 -6.221 1.00 0.00 C ATOM 535 C LYS A 36 -6.851 4.269 -7.163 1.00 0.00 C ATOM 536 O LYS A 36 -7.174 3.141 -7.539 1.00 0.00 O ATOM 537 CB LYS A 36 -8.947 5.635 -6.991 1.00 0.00 C ATOM 538 CG LYS A 36 -8.554 6.624 -8.077 1.00 0.00 C ATOM 539 CD LYS A 36 -9.777 7.183 -8.788 1.00 0.00 C ATOM 540 CE LYS A 36 -9.387 8.178 -9.870 1.00 0.00 C ATOM 541 NZ LYS A 36 -10.578 8.732 -10.570 1.00 0.00 N ATOM 0 H LYS A 36 -7.018 7.016 -6.076 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.127 4.389 -5.450 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.504 4.814 -7.443 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.619 6.128 -6.289 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.982 7.441 -7.637 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.904 6.133 -8.801 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.346 6.366 -9.232 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.430 7.669 -8.063 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.816 8.993 -9.425 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.735 7.690 -10.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.270 9.406 -11.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.110 7.958 -11.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.188 9.220 -9.884 1.00 0.00 H new ATOM 555 N ASP A 37 -5.709 4.851 -7.531 1.00 0.00 N ATOM 556 CA ASP A 37 -4.762 4.181 -8.407 1.00 0.00 C ATOM 557 C ASP A 37 -3.765 3.391 -7.579 1.00 0.00 C ATOM 558 O ASP A 37 -3.240 2.374 -8.025 1.00 0.00 O ATOM 559 CB ASP A 37 -4.043 5.192 -9.299 1.00 0.00 C ATOM 560 CG ASP A 37 -4.994 5.894 -10.248 1.00 0.00 C ATOM 561 OD1 ASP A 37 -5.966 6.510 -9.765 1.00 0.00 O ATOM 562 OD2 ASP A 37 -4.765 5.830 -11.475 1.00 0.00 O ATOM 0 H ASP A 37 -5.422 5.784 -7.234 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.307 3.492 -9.053 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.542 5.932 -8.676 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.269 4.682 -9.873 1.00 0.00 H new ATOM 567 N ILE A 38 -3.539 3.847 -6.354 1.00 0.00 N ATOM 568 CA ILE A 38 -2.640 3.158 -5.447 1.00 0.00 C ATOM 569 C ILE A 38 -3.309 1.880 -4.991 1.00 0.00 C ATOM 570 O ILE A 38 -2.673 0.846 -4.807 1.00 0.00 O ATOM 571 CB ILE A 38 -2.320 4.012 -4.204 1.00 0.00 C ATOM 572 CG1 ILE A 38 -1.899 5.418 -4.620 1.00 0.00 C ATOM 573 CG2 ILE A 38 -1.232 3.349 -3.369 1.00 0.00 C ATOM 574 CD1 ILE A 38 -0.693 5.444 -5.523 1.00 0.00 C ATOM 0 H ILE A 38 -3.966 4.689 -5.969 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.707 2.957 -5.974 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.220 4.090 -3.594 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.733 5.903 -5.127 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.686 6.004 -3.726 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.018 3.965 -2.495 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.571 2.365 -3.045 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.328 3.242 -3.968 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.452 6.476 -5.778 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.155 4.989 -5.011 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.909 4.886 -6.434 1.00 0.00 H new ATOM 586 N ALA A 39 -4.621 1.967 -4.843 1.00 0.00 N ATOM 587 CA ALA A 39 -5.424 0.830 -4.430 1.00 0.00 C ATOM 588 C ALA A 39 -5.726 -0.047 -5.630 1.00 0.00 C ATOM 589 O ALA A 39 -5.913 -1.257 -5.504 1.00 0.00 O ATOM 590 CB ALA A 39 -6.712 1.298 -3.770 1.00 0.00 C ATOM 0 H ALA A 39 -5.155 2.821 -5.005 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.863 0.247 -3.700 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.301 0.432 -3.467 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -6.474 1.900 -2.893 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.286 1.898 -4.476 1.00 0.00 H new ATOM 596 N ALA A 40 -5.750 0.577 -6.798 1.00 0.00 N ATOM 597 CA ALA A 40 -6.009 -0.138 -8.036 1.00 0.00 C ATOM 598 C ALA A 40 -4.715 -0.709 -8.595 1.00 0.00 C ATOM 599 O ALA A 40 -4.725 -1.671 -9.361 1.00 0.00 O ATOM 600 CB ALA A 40 -6.670 0.782 -9.052 1.00 0.00 C ATOM 0 H ALA A 40 -5.593 1.578 -6.913 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.690 -0.963 -7.826 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.857 0.231 -9.974 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.614 1.149 -8.650 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.012 1.626 -9.261 1.00 0.00 H new ATOM 606 N TYR A 41 -3.596 -0.113 -8.193 1.00 0.00 N ATOM 607 CA TYR A 41 -2.288 -0.565 -8.650 1.00 0.00 C ATOM 608 C TYR A 41 -1.763 -1.668 -7.743 1.00 0.00 C ATOM 609 O TYR A 41 -1.024 -2.545 -8.178 1.00 0.00 O ATOM 610 CB TYR A 41 -1.298 0.598 -8.692 1.00 0.00 C ATOM 611 CG TYR A 41 0.055 0.223 -9.260 1.00 0.00 C ATOM 612 CD1 TYR A 41 0.169 -0.314 -10.535 1.00 0.00 C ATOM 613 CD2 TYR A 41 1.215 0.409 -8.519 1.00 0.00 C ATOM 614 CE1 TYR A 41 1.401 -0.656 -11.058 1.00 0.00 C ATOM 615 CE2 TYR A 41 2.452 0.070 -9.035 1.00 0.00 C ATOM 616 CZ TYR A 41 2.538 -0.463 -10.304 1.00 0.00 C ATOM 617 OH TYR A 41 3.768 -0.802 -10.821 1.00 0.00 O ATOM 0 H TYR A 41 -3.570 0.681 -7.554 1.00 0.00 H new ATOM 0 HA TYR A 41 -2.397 -0.961 -9.659 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.723 1.404 -9.290 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.164 0.986 -7.682 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -0.721 -0.467 -11.128 1.00 0.00 H new ATOM 0 HD2 TYR A 41 1.150 0.825 -7.524 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.473 -1.072 -12.052 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.346 0.222 -8.448 1.00 0.00 H new ATOM 0 HH TYR A 41 4.466 -0.602 -10.163 1.00 0.00 H new ATOM 627 N ILE A 42 -2.171 -1.627 -6.484 1.00 0.00 N ATOM 628 CA ILE A 42 -1.763 -2.634 -5.518 1.00 0.00 C ATOM 629 C ILE A 42 -2.746 -3.793 -5.548 1.00 0.00 C ATOM 630 O ILE A 42 -2.390 -4.941 -5.284 1.00 0.00 O ATOM 631 CB ILE A 42 -1.704 -2.050 -4.091 1.00 0.00 C ATOM 632 CG1 ILE A 42 -0.744 -0.863 -4.046 1.00 0.00 C ATOM 633 CG2 ILE A 42 -1.275 -3.118 -3.090 1.00 0.00 C ATOM 634 CD1 ILE A 42 -0.969 0.044 -2.854 1.00 0.00 C ATOM 0 H ILE A 42 -2.786 -0.905 -6.107 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.765 -2.980 -5.788 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.701 -1.705 -3.817 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.281 -1.234 -4.023 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.852 -0.282 -4.962 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.240 -2.686 -2.090 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.991 -3.940 -3.105 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.287 -3.493 -3.359 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.254 0.866 -2.883 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.983 0.443 -2.887 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.832 -0.524 -1.934 1.00 0.00 H new ATOM 646 N LYS A 43 -3.987 -3.484 -5.904 1.00 0.00 N ATOM 647 CA LYS A 43 -5.025 -4.494 -5.999 1.00 0.00 C ATOM 648 C LYS A 43 -4.896 -5.216 -7.323 1.00 0.00 C ATOM 649 O LYS A 43 -5.168 -6.413 -7.424 1.00 0.00 O ATOM 650 CB LYS A 43 -6.413 -3.865 -5.874 1.00 0.00 C ATOM 651 CG LYS A 43 -7.547 -4.874 -5.960 1.00 0.00 C ATOM 652 CD LYS A 43 -8.905 -4.201 -5.832 1.00 0.00 C ATOM 653 CE LYS A 43 -9.132 -3.185 -6.940 1.00 0.00 C ATOM 654 NZ LYS A 43 -9.062 -3.810 -8.290 1.00 0.00 N ATOM 0 H LYS A 43 -4.296 -2.539 -6.131 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.904 -5.203 -5.180 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.479 -3.336 -4.923 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.538 -3.122 -6.661 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.491 -5.405 -6.910 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.433 -5.618 -5.172 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.690 -4.956 -5.863 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.977 -3.706 -4.863 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.107 -2.715 -6.808 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.385 -2.395 -6.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.418 -3.140 -9.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.075 -4.055 -8.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.644 -4.672 -8.304 1.00 0.00 H new ATOM 668 N LYS A 44 -4.459 -4.479 -8.339 1.00 0.00 N ATOM 669 CA LYS A 44 -4.273 -5.056 -9.656 1.00 0.00 C ATOM 670 C LYS A 44 -2.933 -5.771 -9.726 1.00 0.00 C ATOM 671 O LYS A 44 -2.796 -6.788 -10.406 1.00 0.00 O ATOM 672 CB LYS A 44 -4.354 -3.972 -10.732 1.00 0.00 C ATOM 673 CG LYS A 44 -4.117 -4.492 -12.139 1.00 0.00 C ATOM 674 CD LYS A 44 -4.180 -3.370 -13.160 1.00 0.00 C ATOM 675 CE LYS A 44 -3.854 -3.871 -14.555 1.00 0.00 C ATOM 676 NZ LYS A 44 -4.816 -4.911 -15.010 1.00 0.00 N ATOM 0 H LYS A 44 -4.230 -3.487 -8.272 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.068 -5.779 -9.836 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.336 -3.501 -10.688 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.619 -3.198 -10.511 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.143 -4.979 -12.190 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.864 -5.248 -12.380 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.176 -2.927 -13.155 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.479 -2.583 -12.882 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.867 -3.034 -15.253 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.844 -4.281 -14.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.677 -5.093 -16.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.656 -5.789 -14.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.788 -4.579 -14.848 1.00 0.00 H new ATOM 690 N GLU A 45 -1.950 -5.248 -9.001 1.00 0.00 N ATOM 691 CA GLU A 45 -0.629 -5.868 -8.982 1.00 0.00 C ATOM 692 C GLU A 45 -0.635 -7.109 -8.100 1.00 0.00 C ATOM 693 O GLU A 45 0.154 -8.032 -8.307 1.00 0.00 O ATOM 694 CB GLU A 45 0.438 -4.882 -8.503 1.00 0.00 C ATOM 695 CG GLU A 45 0.844 -3.866 -9.560 1.00 0.00 C ATOM 696 CD GLU A 45 1.514 -4.508 -10.760 1.00 0.00 C ATOM 697 OE1 GLU A 45 1.666 -5.747 -10.765 1.00 0.00 O ATOM 698 OE2 GLU A 45 1.887 -3.768 -11.695 1.00 0.00 O ATOM 0 H GLU A 45 -2.039 -4.410 -8.427 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.384 -6.163 -10.002 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.065 -4.353 -7.626 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.320 -5.439 -8.188 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.039 -3.319 -9.891 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.523 -3.137 -9.116 1.00 0.00 H new ATOM 705 N PHE A 46 -1.533 -7.132 -7.120 1.00 0.00 N ATOM 706 CA PHE A 46 -1.639 -8.266 -6.216 1.00 0.00 C ATOM 707 C PHE A 46 -2.404 -9.426 -6.848 1.00 0.00 C ATOM 708 O PHE A 46 -1.951 -10.568 -6.803 1.00 0.00 O ATOM 709 CB PHE A 46 -2.306 -7.848 -4.907 1.00 0.00 C ATOM 710 CG PHE A 46 -1.334 -7.384 -3.859 1.00 0.00 C ATOM 711 CD1 PHE A 46 -0.420 -6.377 -4.130 1.00 0.00 C ATOM 712 CD2 PHE A 46 -1.335 -7.961 -2.599 1.00 0.00 C ATOM 713 CE1 PHE A 46 0.471 -5.955 -3.163 1.00 0.00 C ATOM 714 CE2 PHE A 46 -0.445 -7.543 -1.629 1.00 0.00 C ATOM 715 CZ PHE A 46 0.458 -6.539 -1.911 1.00 0.00 C ATOM 0 H PHE A 46 -2.195 -6.379 -6.934 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.626 -8.610 -6.007 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.018 -7.048 -5.111 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.877 -8.690 -4.514 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.405 -5.918 -5.107 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.040 -8.747 -2.373 1.00 0.00 H new ATOM 0 HE1 PHE A 46 1.178 -5.169 -3.385 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.456 -8.002 -0.651 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.154 -6.210 -1.154 1.00 0.00 H new ATOM 725 N ASP A 47 -3.561 -9.144 -7.431 1.00 0.00 N ATOM 726 CA ASP A 47 -4.359 -10.200 -8.045 1.00 0.00 C ATOM 727 C ASP A 47 -3.698 -10.717 -9.318 1.00 0.00 C ATOM 728 O ASP A 47 -3.825 -11.892 -9.662 1.00 0.00 O ATOM 729 CB ASP A 47 -5.769 -9.693 -8.357 1.00 0.00 C ATOM 730 CG ASP A 47 -5.793 -8.721 -9.519 1.00 0.00 C ATOM 731 OD1 ASP A 47 -5.022 -7.743 -9.484 1.00 0.00 O ATOM 732 OD2 ASP A 47 -6.581 -8.942 -10.462 1.00 0.00 O ATOM 0 H ASP A 47 -3.964 -8.209 -7.493 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.427 -11.024 -7.334 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.415 -10.541 -8.584 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.181 -9.207 -7.473 1.00 0.00 H new ATOM 737 N LYS A 48 -3.001 -9.830 -10.023 1.00 0.00 N ATOM 738 CA LYS A 48 -2.334 -10.201 -11.265 1.00 0.00 C ATOM 739 C LYS A 48 -0.983 -10.874 -11.012 1.00 0.00 C ATOM 740 O LYS A 48 -0.306 -11.276 -11.959 1.00 0.00 O ATOM 741 CB LYS A 48 -2.143 -8.969 -12.150 1.00 0.00 C ATOM 742 CG LYS A 48 -3.451 -8.335 -12.598 1.00 0.00 C ATOM 743 CD LYS A 48 -4.282 -9.298 -13.432 1.00 0.00 C ATOM 744 CE LYS A 48 -3.545 -9.724 -14.692 1.00 0.00 C ATOM 745 NZ LYS A 48 -3.207 -8.562 -15.558 1.00 0.00 N ATOM 0 H LYS A 48 -2.884 -8.853 -9.756 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.973 -10.922 -11.774 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.557 -8.228 -11.606 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.564 -9.250 -13.030 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.023 -8.022 -11.724 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.241 -7.437 -13.179 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.527 -10.178 -12.837 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.226 -8.825 -13.704 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.631 -10.250 -14.417 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.161 -10.427 -15.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.893 -8.903 -16.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.047 -7.960 -15.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.444 -8.010 -15.116 1.00 0.00 H new ATOM 759 N LYS A 49 -0.587 -11.000 -9.746 1.00 0.00 N ATOM 760 CA LYS A 49 0.691 -11.633 -9.426 1.00 0.00 C ATOM 761 C LYS A 49 0.669 -12.326 -8.069 1.00 0.00 C ATOM 762 O LYS A 49 1.719 -12.599 -7.486 1.00 0.00 O ATOM 763 CB LYS A 49 1.822 -10.604 -9.473 1.00 0.00 C ATOM 764 CG LYS A 49 1.983 -9.937 -10.829 1.00 0.00 C ATOM 765 CD LYS A 49 3.108 -8.914 -10.818 1.00 0.00 C ATOM 766 CE LYS A 49 4.445 -9.558 -10.487 1.00 0.00 C ATOM 767 NZ LYS A 49 5.555 -8.565 -10.488 1.00 0.00 N ATOM 0 H LYS A 49 -1.121 -10.679 -8.939 1.00 0.00 H new ATOM 0 HA LYS A 49 0.867 -12.400 -10.181 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.636 -9.838 -8.721 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.758 -11.093 -9.205 1.00 0.00 H new ATOM 0 HG2 LYS A 49 2.186 -10.694 -11.586 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.049 -9.449 -11.109 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.168 -8.428 -11.792 1.00 0.00 H new ATOM 0 HD3 LYS A 49 2.887 -8.136 -10.087 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.386 -10.035 -9.509 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.659 -10.343 -11.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.449 -9.044 -10.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.628 -8.127 -11.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.363 -7.830 -9.778 1.00 0.00 H new ATOM 781 N TYR A 50 -0.524 -12.625 -7.581 1.00 0.00 N ATOM 782 CA TYR A 50 -0.676 -13.310 -6.295 1.00 0.00 C ATOM 783 C TYR A 50 -1.969 -14.128 -6.237 1.00 0.00 C ATOM 784 O TYR A 50 -2.319 -14.656 -5.182 1.00 0.00 O ATOM 785 CB TYR A 50 -0.632 -12.321 -5.120 1.00 0.00 C ATOM 786 CG TYR A 50 0.660 -11.536 -5.016 1.00 0.00 C ATOM 787 CD1 TYR A 50 0.950 -10.507 -5.904 1.00 0.00 C ATOM 788 CD2 TYR A 50 1.594 -11.834 -4.031 1.00 0.00 C ATOM 789 CE1 TYR A 50 2.132 -9.798 -5.812 1.00 0.00 C ATOM 790 CE2 TYR A 50 2.777 -11.127 -3.932 1.00 0.00 C ATOM 791 CZ TYR A 50 3.041 -10.111 -4.824 1.00 0.00 C ATOM 792 OH TYR A 50 4.220 -9.407 -4.733 1.00 0.00 O ATOM 0 H TYR A 50 -1.403 -12.407 -8.050 1.00 0.00 H new ATOM 0 HA TYR A 50 0.168 -13.994 -6.206 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.462 -11.621 -5.218 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -0.786 -12.871 -4.191 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.240 -10.258 -6.678 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.392 -12.631 -3.331 1.00 0.00 H new ATOM 0 HE1 TYR A 50 2.343 -9.002 -6.511 1.00 0.00 H new ATOM 0 HE2 TYR A 50 3.491 -11.370 -3.159 1.00 0.00 H new ATOM 0 HH TYR A 50 4.916 -9.982 -4.352 1.00 0.00 H new ATOM 802 N ASN A 51 -2.669 -14.239 -7.372 1.00 0.00 N ATOM 803 CA ASN A 51 -3.911 -15.003 -7.460 1.00 0.00 C ATOM 804 C ASN A 51 -5.091 -14.189 -6.937 1.00 0.00 C ATOM 805 O ASN A 51 -5.096 -13.760 -5.784 1.00 0.00 O ATOM 806 CB ASN A 51 -3.802 -16.330 -6.698 1.00 0.00 C ATOM 807 CG ASN A 51 -2.617 -17.188 -7.135 1.00 0.00 C ATOM 808 OD1 ASN A 51 -2.401 -18.270 -6.592 1.00 0.00 O ATOM 809 ND2 ASN A 51 -1.841 -16.719 -8.115 1.00 0.00 N ATOM 0 H ASN A 51 -2.389 -13.802 -8.250 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.084 -15.227 -8.513 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.716 -16.121 -5.632 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.722 -16.897 -6.838 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -1.040 -17.263 -8.435 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -2.050 -15.817 -8.543 1.00 0.00 H new ATOM 816 N PRO A 52 -6.109 -13.958 -7.787 1.00 0.00 N ATOM 817 CA PRO A 52 -7.292 -13.184 -7.403 1.00 0.00 C ATOM 818 C PRO A 52 -7.970 -13.740 -6.144 1.00 0.00 C ATOM 819 O PRO A 52 -8.169 -14.949 -6.025 1.00 0.00 O ATOM 820 CB PRO A 52 -8.220 -13.318 -8.615 1.00 0.00 C ATOM 821 CG PRO A 52 -7.318 -13.626 -9.758 1.00 0.00 C ATOM 822 CD PRO A 52 -6.185 -14.427 -9.184 1.00 0.00 C ATOM 0 HA PRO A 52 -7.039 -12.153 -7.158 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.953 -14.111 -8.465 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.778 -12.398 -8.789 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -7.843 -14.189 -10.529 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -6.953 -12.711 -10.225 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.382 -15.498 -9.238 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.253 -14.246 -9.720 1.00 0.00 H new ATOM 830 N THR A 53 -8.326 -12.856 -5.205 1.00 0.00 N ATOM 831 CA THR A 53 -8.085 -11.436 -5.358 1.00 0.00 C ATOM 832 C THR A 53 -7.827 -10.792 -4.017 1.00 0.00 C ATOM 833 O THR A 53 -8.278 -11.273 -2.978 1.00 0.00 O ATOM 834 CB THR A 53 -9.271 -10.769 -6.032 1.00 0.00 C ATOM 835 OG1 THR A 53 -9.783 -11.585 -7.072 1.00 0.00 O ATOM 836 CG2 THR A 53 -8.919 -9.430 -6.638 1.00 0.00 C ATOM 0 H THR A 53 -8.784 -13.111 -4.330 1.00 0.00 H new ATOM 0 HA THR A 53 -7.202 -11.306 -5.983 1.00 0.00 H new ATOM 0 HB THR A 53 -10.013 -10.623 -5.247 1.00 0.00 H new ATOM 0 HG1 THR A 53 -10.547 -11.138 -7.492 1.00 0.00 H new ATOM 0 HG21 THR A 53 -9.804 -8.999 -7.106 1.00 0.00 H new ATOM 0 HG22 THR A 53 -8.559 -8.761 -5.857 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.140 -9.564 -7.389 1.00 0.00 H new ATOM 844 N TRP A 54 -7.086 -9.702 -4.053 1.00 0.00 N ATOM 845 CA TRP A 54 -6.744 -8.982 -2.837 1.00 0.00 C ATOM 846 C TRP A 54 -7.603 -7.739 -2.664 1.00 0.00 C ATOM 847 O TRP A 54 -8.212 -7.252 -3.616 1.00 0.00 O ATOM 848 CB TRP A 54 -5.265 -8.634 -2.839 1.00 0.00 C ATOM 849 CG TRP A 54 -4.408 -9.854 -2.936 1.00 0.00 C ATOM 850 CD1 TRP A 54 -4.172 -10.607 -4.048 1.00 0.00 C ATOM 851 CD2 TRP A 54 -3.724 -10.495 -1.861 1.00 0.00 C ATOM 852 NE1 TRP A 54 -3.351 -11.662 -3.737 1.00 0.00 N ATOM 853 CE2 TRP A 54 -3.066 -11.617 -2.396 1.00 0.00 C ATOM 854 CE3 TRP A 54 -3.598 -10.219 -0.499 1.00 0.00 C ATOM 855 CZ2 TRP A 54 -2.288 -12.466 -1.611 1.00 0.00 C ATOM 856 CZ3 TRP A 54 -2.830 -11.062 0.280 1.00 0.00 C ATOM 857 CH2 TRP A 54 -2.183 -12.174 -0.277 1.00 0.00 C ATOM 0 H TRP A 54 -6.709 -9.294 -4.908 1.00 0.00 H new ATOM 0 HA TRP A 54 -6.948 -9.631 -1.985 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -5.049 -7.971 -3.676 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -5.019 -8.088 -1.928 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.573 -10.403 -5.030 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -3.009 -12.363 -4.394 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -4.091 -9.363 -0.063 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.787 -13.322 -2.038 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -2.726 -10.861 1.336 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.589 -12.814 0.359 1.00 0.00 H new ATOM 868 N HIS A 55 -7.670 -7.250 -1.430 1.00 0.00 N ATOM 869 CA HIS A 55 -8.488 -6.080 -1.122 1.00 0.00 C ATOM 870 C HIS A 55 -7.653 -4.854 -0.741 1.00 0.00 C ATOM 871 O HIS A 55 -7.964 -4.159 0.225 1.00 0.00 O ATOM 872 CB HIS A 55 -9.470 -6.417 -0.004 1.00 0.00 C ATOM 873 CG HIS A 55 -10.517 -7.407 -0.410 1.00 0.00 C ATOM 874 ND1 HIS A 55 -10.218 -8.677 -0.861 1.00 0.00 N ATOM 875 CD2 HIS A 55 -11.866 -7.310 -0.436 1.00 0.00 C ATOM 876 CE1 HIS A 55 -11.338 -9.315 -1.147 1.00 0.00 C ATOM 877 NE2 HIS A 55 -12.353 -8.508 -0.897 1.00 0.00 N ATOM 0 H HIS A 55 -7.172 -7.642 -0.631 1.00 0.00 H new ATOM 0 HA HIS A 55 -9.032 -5.819 -2.030 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -8.917 -6.813 0.848 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -9.957 -5.501 0.330 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -12.451 -6.450 -0.148 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -11.412 -10.325 -1.522 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -13.339 -8.737 -1.026 1.00 0.00 H new ATOM 886 N CYS A 56 -6.613 -4.586 -1.516 1.00 0.00 N ATOM 887 CA CYS A 56 -5.749 -3.432 -1.285 1.00 0.00 C ATOM 888 C CYS A 56 -6.560 -2.134 -1.371 1.00 0.00 C ATOM 889 O CYS A 56 -6.717 -1.572 -2.454 1.00 0.00 O ATOM 890 CB CYS A 56 -4.634 -3.391 -2.339 1.00 0.00 C ATOM 891 SG CYS A 56 -3.857 -4.990 -2.687 1.00 0.00 S ATOM 0 H CYS A 56 -6.343 -5.156 -2.318 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.313 -3.524 -0.290 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -5.045 -2.993 -3.267 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -3.865 -2.694 -2.007 1.00 0.00 H new ATOM 0 HG CYS A 56 -4.151 -5.831 -1.740 1.00 0.00 H new ATOM 897 N ILE A 57 -7.079 -1.662 -0.238 1.00 0.00 N ATOM 898 CA ILE A 57 -7.876 -0.436 -0.217 1.00 0.00 C ATOM 899 C ILE A 57 -7.170 0.677 0.553 1.00 0.00 C ATOM 900 O ILE A 57 -6.265 0.422 1.346 1.00 0.00 O ATOM 901 CB ILE A 57 -9.261 -0.680 0.418 1.00 0.00 C ATOM 902 CG1 ILE A 57 -9.946 -1.866 -0.264 1.00 0.00 C ATOM 903 CG2 ILE A 57 -10.122 0.574 0.319 1.00 0.00 C ATOM 904 CD1 ILE A 57 -11.393 -2.053 0.137 1.00 0.00 C ATOM 0 H ILE A 57 -6.963 -2.107 0.672 1.00 0.00 H new ATOM 0 HA ILE A 57 -8.003 -0.128 -1.255 1.00 0.00 H new ATOM 0 HB ILE A 57 -9.129 -0.915 1.474 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -9.893 -1.731 -1.344 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -9.394 -2.776 -0.029 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -11.095 0.384 0.772 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -9.632 1.394 0.843 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -10.256 0.842 -0.729 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -11.808 -2.913 -0.389 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -11.454 -2.221 1.212 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -11.961 -1.160 -0.123 1.00 0.00 H new ATOM 916 N VAL A 58 -7.600 1.913 0.315 1.00 0.00 N ATOM 917 CA VAL A 58 -7.023 3.072 0.986 1.00 0.00 C ATOM 918 C VAL A 58 -8.116 3.913 1.643 1.00 0.00 C ATOM 919 O VAL A 58 -9.262 3.910 1.196 1.00 0.00 O ATOM 920 CB VAL A 58 -6.237 3.958 0.000 1.00 0.00 C ATOM 921 CG1 VAL A 58 -5.533 5.088 0.737 1.00 0.00 C ATOM 922 CG2 VAL A 58 -5.240 3.126 -0.795 1.00 0.00 C ATOM 0 H VAL A 58 -8.349 2.137 -0.340 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.340 2.696 1.747 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.945 4.399 -0.702 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.984 5.702 0.023 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.272 5.703 1.251 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.838 4.670 1.466 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.696 3.771 -1.485 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.536 2.650 -0.112 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.773 2.360 -1.358 1.00 0.00 H new ATOM 932 N GLY A 59 -7.760 4.637 2.704 1.00 0.00 N ATOM 933 CA GLY A 59 -8.738 5.467 3.388 1.00 0.00 C ATOM 934 C GLY A 59 -8.101 6.515 4.280 1.00 0.00 C ATOM 935 O GLY A 59 -6.921 6.821 4.139 1.00 0.00 O ATOM 0 H GLY A 59 -6.820 4.663 3.099 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.369 5.961 2.649 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.389 4.832 3.989 1.00 0.00 H new ATOM 939 N ARG A 60 -8.887 7.063 5.201 1.00 0.00 N ATOM 940 CA ARG A 60 -8.393 8.081 6.120 1.00 0.00 C ATOM 941 C ARG A 60 -9.166 8.045 7.435 1.00 0.00 C ATOM 942 O ARG A 60 -10.045 8.873 7.672 1.00 0.00 O ATOM 943 CB ARG A 60 -8.504 9.471 5.491 1.00 0.00 C ATOM 944 CG ARG A 60 -7.726 9.618 4.194 1.00 0.00 C ATOM 945 CD ARG A 60 -7.839 11.027 3.636 1.00 0.00 C ATOM 946 NE ARG A 60 -9.226 11.403 3.374 1.00 0.00 N ATOM 947 CZ ARG A 60 -9.597 12.589 2.898 1.00 0.00 C ATOM 948 NH1 ARG A 60 -8.686 13.519 2.632 1.00 0.00 N ATOM 949 NH2 ARG A 60 -10.880 12.849 2.688 1.00 0.00 N ATOM 0 H ARG A 60 -9.869 6.819 5.330 1.00 0.00 H new ATOM 0 HA ARG A 60 -7.344 7.868 6.325 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.554 9.691 5.301 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.146 10.213 6.205 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -6.677 9.377 4.368 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -8.100 8.904 3.461 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -7.399 11.732 4.341 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -7.264 11.098 2.713 1.00 0.00 H new ATOM 0 HE ARG A 60 -9.954 10.715 3.568 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -7.698 13.325 2.793 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -8.975 14.427 2.267 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -11.584 12.140 2.891 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -11.163 13.759 2.323 1.00 0.00 H new ATOM 963 N SER A 61 -8.836 7.074 8.284 1.00 0.00 N ATOM 964 CA SER A 61 -9.499 6.923 9.577 1.00 0.00 C ATOM 965 C SER A 61 -11.017 7.014 9.431 1.00 0.00 C ATOM 966 O SER A 61 -11.689 7.675 10.222 1.00 0.00 O ATOM 967 CB SER A 61 -9.003 7.988 10.557 1.00 0.00 C ATOM 968 OG SER A 61 -9.273 9.293 10.073 1.00 0.00 O ATOM 0 H SER A 61 -8.112 6.379 8.099 1.00 0.00 H new ATOM 0 HA SER A 61 -9.251 5.936 9.968 1.00 0.00 H new ATOM 0 HB2 SER A 61 -9.485 7.849 11.525 1.00 0.00 H new ATOM 0 HB3 SER A 61 -7.931 7.870 10.715 1.00 0.00 H new ATOM 0 HG SER A 61 -9.926 9.243 9.344 1.00 0.00 H new ATOM 974 N GLY A 62 -11.546 6.351 8.408 1.00 0.00 N ATOM 975 CA GLY A 62 -12.978 6.374 8.169 1.00 0.00 C ATOM 976 C GLY A 62 -13.734 5.366 9.014 1.00 0.00 C ATOM 977 O GLY A 62 -14.405 5.733 9.977 1.00 0.00 O ATOM 0 H GLY A 62 -11.009 5.798 7.740 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -13.360 7.374 8.377 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -13.169 6.173 7.115 1.00 0.00 H new ATOM 981 N ASN A 63 -13.626 4.093 8.650 1.00 0.00 N ATOM 982 CA ASN A 63 -14.308 3.028 9.378 1.00 0.00 C ATOM 983 C ASN A 63 -13.776 1.654 8.981 1.00 0.00 C ATOM 984 O ASN A 63 -14.525 0.793 8.520 1.00 0.00 O ATOM 985 CB ASN A 63 -15.824 3.100 9.147 1.00 0.00 C ATOM 986 CG ASN A 63 -16.248 2.961 7.686 1.00 0.00 C ATOM 987 OD1 ASN A 63 -17.440 3.010 7.381 1.00 0.00 O ATOM 988 ND2 ASN A 63 -15.297 2.786 6.768 1.00 0.00 N ATOM 0 H ASN A 63 -13.073 3.773 7.855 1.00 0.00 H new ATOM 0 HA ASN A 63 -14.108 3.172 10.440 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -16.305 2.314 9.729 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -16.193 4.051 9.531 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -15.549 2.689 5.784 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -14.317 2.749 7.049 1.00 0.00 H new ATOM 995 N PHE A 64 -12.475 1.462 9.162 1.00 0.00 N ATOM 996 CA PHE A 64 -11.831 0.198 8.826 1.00 0.00 C ATOM 997 C PHE A 64 -11.837 -0.764 10.012 1.00 0.00 C ATOM 998 O PHE A 64 -10.843 -1.442 10.275 1.00 0.00 O ATOM 999 CB PHE A 64 -10.390 0.445 8.377 1.00 0.00 C ATOM 1000 CG PHE A 64 -10.272 1.182 7.072 1.00 0.00 C ATOM 1001 CD1 PHE A 64 -10.826 0.663 5.914 1.00 0.00 C ATOM 1002 CD2 PHE A 64 -9.594 2.390 7.005 1.00 0.00 C ATOM 1003 CE1 PHE A 64 -10.706 1.333 4.710 1.00 0.00 C ATOM 1004 CE2 PHE A 64 -9.472 3.066 5.804 1.00 0.00 C ATOM 1005 CZ PHE A 64 -10.028 2.535 4.655 1.00 0.00 C ATOM 0 H PHE A 64 -11.844 2.168 9.541 1.00 0.00 H new ATOM 0 HA PHE A 64 -12.397 -0.256 8.013 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -9.872 1.012 9.150 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -9.879 -0.514 8.288 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -11.358 -0.276 5.951 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -9.157 2.807 7.900 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -11.142 0.917 3.814 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -8.943 4.007 5.764 1.00 0.00 H new ATOM 0 HZ PHE A 64 -9.932 3.059 3.716 1.00 0.00 H new ATOM 1015 N GLY A 65 -12.957 -0.829 10.719 1.00 0.00 N ATOM 1016 CA GLY A 65 -13.057 -1.721 11.860 1.00 0.00 C ATOM 1017 C GLY A 65 -14.442 -2.318 12.019 1.00 0.00 C ATOM 1018 O GLY A 65 -14.767 -2.873 13.069 1.00 0.00 O ATOM 0 H GLY A 65 -13.796 -0.283 10.525 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.330 -2.526 11.751 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.795 -1.175 12.766 1.00 0.00 H new ATOM 1022 N SER A 66 -15.259 -2.211 10.976 1.00 0.00 N ATOM 1023 CA SER A 66 -16.611 -2.752 11.010 1.00 0.00 C ATOM 1024 C SER A 66 -17.105 -3.056 9.602 1.00 0.00 C ATOM 1025 O SER A 66 -18.305 -2.997 9.328 1.00 0.00 O ATOM 1026 CB SER A 66 -17.560 -1.769 11.699 1.00 0.00 C ATOM 1027 OG SER A 66 -18.883 -2.275 11.730 1.00 0.00 O ATOM 0 H SER A 66 -15.008 -1.755 10.099 1.00 0.00 H new ATOM 0 HA SER A 66 -16.592 -3.682 11.578 1.00 0.00 H new ATOM 0 HB2 SER A 66 -17.216 -1.579 12.716 1.00 0.00 H new ATOM 0 HB3 SER A 66 -17.545 -0.814 11.173 1.00 0.00 H new ATOM 0 HG SER A 66 -19.166 -2.506 10.821 1.00 0.00 H new ATOM 1033 N TYR A 67 -16.175 -3.379 8.711 1.00 0.00 N ATOM 1034 CA TYR A 67 -16.523 -3.690 7.329 1.00 0.00 C ATOM 1035 C TYR A 67 -15.309 -4.193 6.549 1.00 0.00 C ATOM 1036 O TYR A 67 -15.254 -4.075 5.325 1.00 0.00 O ATOM 1037 CB TYR A 67 -17.109 -2.444 6.654 1.00 0.00 C ATOM 1038 CG TYR A 67 -17.754 -2.694 5.304 1.00 0.00 C ATOM 1039 CD1 TYR A 67 -17.910 -3.981 4.798 1.00 0.00 C ATOM 1040 CD2 TYR A 67 -18.219 -1.631 4.538 1.00 0.00 C ATOM 1041 CE1 TYR A 67 -18.506 -4.196 3.570 1.00 0.00 C ATOM 1042 CE2 TYR A 67 -18.816 -1.840 3.310 1.00 0.00 C ATOM 1043 CZ TYR A 67 -18.957 -3.124 2.831 1.00 0.00 C ATOM 1044 OH TYR A 67 -19.551 -3.335 1.607 1.00 0.00 O ATOM 0 H TYR A 67 -15.178 -3.432 8.919 1.00 0.00 H new ATOM 0 HA TYR A 67 -17.267 -4.486 7.333 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -17.851 -2.003 7.319 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -16.315 -1.708 6.530 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -17.560 -4.825 5.374 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -18.111 -0.623 4.910 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -18.618 -5.201 3.191 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -19.170 -1.002 2.729 1.00 0.00 H new ATOM 0 HH TYR A 67 -19.813 -2.475 1.218 1.00 0.00 H new ATOM 1054 N VAL A 68 -14.342 -4.759 7.264 1.00 0.00 N ATOM 1055 CA VAL A 68 -13.137 -5.287 6.639 1.00 0.00 C ATOM 1056 C VAL A 68 -12.918 -6.752 7.011 1.00 0.00 C ATOM 1057 O VAL A 68 -11.919 -7.359 6.627 1.00 0.00 O ATOM 1058 CB VAL A 68 -11.902 -4.479 7.063 1.00 0.00 C ATOM 1059 CG1 VAL A 68 -10.657 -4.966 6.335 1.00 0.00 C ATOM 1060 CG2 VAL A 68 -12.125 -2.993 6.823 1.00 0.00 C ATOM 0 H VAL A 68 -14.371 -4.863 8.278 1.00 0.00 H new ATOM 0 HA VAL A 68 -13.274 -5.207 5.561 1.00 0.00 H new ATOM 0 HB VAL A 68 -11.746 -4.632 8.131 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.796 -4.378 6.653 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -10.485 -6.016 6.570 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -10.797 -4.853 5.260 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.239 -2.438 7.130 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -12.313 -2.820 5.763 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -12.983 -2.655 7.404 1.00 0.00 H new ATOM 1070 N THR A 69 -13.857 -7.310 7.764 1.00 0.00 N ATOM 1071 CA THR A 69 -13.772 -8.697 8.194 1.00 0.00 C ATOM 1072 C THR A 69 -13.989 -9.645 7.029 1.00 0.00 C ATOM 1073 O THR A 69 -13.051 -10.272 6.541 1.00 0.00 O ATOM 1074 CB THR A 69 -14.797 -8.973 9.297 1.00 0.00 C ATOM 1075 OG1 THR A 69 -14.567 -8.134 10.415 1.00 0.00 O ATOM 1076 CG2 THR A 69 -14.781 -10.405 9.789 1.00 0.00 C ATOM 0 H THR A 69 -14.690 -6.819 8.090 1.00 0.00 H new ATOM 0 HA THR A 69 -12.770 -8.868 8.588 1.00 0.00 H new ATOM 0 HB THR A 69 -15.768 -8.773 8.843 1.00 0.00 H new ATOM 0 HG1 THR A 69 -15.233 -8.324 11.109 1.00 0.00 H new ATOM 0 HG21 THR A 69 -15.532 -10.530 10.569 1.00 0.00 H new ATOM 0 HG22 THR A 69 -15.004 -11.077 8.960 1.00 0.00 H new ATOM 0 HG23 THR A 69 -13.796 -10.640 10.192 1.00 0.00 H new ATOM 1084 N HIS A 70 -15.236 -9.752 6.596 1.00 0.00 N ATOM 1085 CA HIS A 70 -15.595 -10.638 5.488 1.00 0.00 C ATOM 1086 C HIS A 70 -14.900 -11.997 5.607 1.00 0.00 C ATOM 1087 O HIS A 70 -14.717 -12.694 4.609 1.00 0.00 O ATOM 1088 CB HIS A 70 -15.229 -9.994 4.150 1.00 0.00 C ATOM 1089 CG HIS A 70 -16.000 -8.748 3.852 1.00 0.00 C ATOM 1090 ND1 HIS A 70 -17.374 -8.719 3.750 1.00 0.00 N ATOM 1091 CD2 HIS A 70 -15.583 -7.480 3.626 1.00 0.00 C ATOM 1092 CE1 HIS A 70 -17.768 -7.490 3.473 1.00 0.00 C ATOM 1093 NE2 HIS A 70 -16.700 -6.718 3.393 1.00 0.00 N ATOM 0 H HIS A 70 -16.022 -9.237 6.993 1.00 0.00 H new ATOM 0 HA HIS A 70 -16.672 -10.797 5.534 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -14.164 -9.761 4.148 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -15.399 -10.716 3.351 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -14.560 -7.133 3.629 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -18.790 -7.170 3.335 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -16.705 -5.718 3.191 1.00 0.00 H new ATOM 1102 N GLU A 71 -14.501 -12.367 6.825 1.00 0.00 N ATOM 1103 CA GLU A 71 -13.814 -13.636 7.045 1.00 0.00 C ATOM 1104 C GLU A 71 -12.486 -13.644 6.296 1.00 0.00 C ATOM 1105 O GLU A 71 -12.175 -14.578 5.557 1.00 0.00 O ATOM 1106 CB GLU A 71 -14.687 -14.807 6.584 1.00 0.00 C ATOM 1107 CG GLU A 71 -16.025 -14.888 7.302 1.00 0.00 C ATOM 1108 CD GLU A 71 -16.874 -16.052 6.829 1.00 0.00 C ATOM 1109 OE1 GLU A 71 -16.416 -16.801 5.940 1.00 0.00 O ATOM 1110 OE2 GLU A 71 -17.999 -16.215 7.348 1.00 0.00 O ATOM 0 H GLU A 71 -14.641 -11.809 7.667 1.00 0.00 H new ATOM 0 HA GLU A 71 -13.622 -13.749 8.112 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -14.864 -14.717 5.512 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -14.143 -15.739 6.740 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -15.852 -14.982 8.374 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -16.572 -13.958 7.148 1.00 0.00 H new ATOM 1117 N THR A 72 -11.716 -12.579 6.487 1.00 0.00 N ATOM 1118 CA THR A 72 -10.424 -12.421 5.832 1.00 0.00 C ATOM 1119 C THR A 72 -9.508 -13.617 6.088 1.00 0.00 C ATOM 1120 O THR A 72 -9.017 -14.241 5.148 1.00 0.00 O ATOM 1121 CB THR A 72 -9.761 -11.132 6.313 1.00 0.00 C ATOM 1122 OG1 THR A 72 -10.663 -10.043 6.227 1.00 0.00 O ATOM 1123 CG2 THR A 72 -8.537 -10.757 5.518 1.00 0.00 C ATOM 0 H THR A 72 -11.969 -11.803 7.099 1.00 0.00 H new ATOM 0 HA THR A 72 -10.593 -12.367 4.757 1.00 0.00 H new ATOM 0 HB THR A 72 -9.466 -11.330 7.343 1.00 0.00 H new ATOM 0 HG1 THR A 72 -11.523 -10.358 5.879 1.00 0.00 H new ATOM 0 HG21 THR A 72 -8.116 -9.832 5.913 1.00 0.00 H new ATOM 0 HG22 THR A 72 -7.797 -11.554 5.592 1.00 0.00 H new ATOM 0 HG23 THR A 72 -8.812 -10.614 4.473 1.00 0.00 H new ATOM 1131 N LYS A 73 -9.289 -13.928 7.361 1.00 0.00 N ATOM 1132 CA LYS A 73 -8.436 -15.054 7.760 1.00 0.00 C ATOM 1133 C LYS A 73 -6.946 -14.742 7.583 1.00 0.00 C ATOM 1134 O LYS A 73 -6.097 -15.612 7.781 1.00 0.00 O ATOM 1135 CB LYS A 73 -8.798 -16.315 6.964 1.00 0.00 C ATOM 1136 CG LYS A 73 -10.248 -16.742 7.133 1.00 0.00 C ATOM 1137 CD LYS A 73 -10.575 -17.042 8.586 1.00 0.00 C ATOM 1138 CE LYS A 73 -12.026 -17.461 8.755 1.00 0.00 C ATOM 1139 NZ LYS A 73 -12.345 -18.688 7.975 1.00 0.00 N ATOM 0 H LYS A 73 -9.692 -13.414 8.144 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.618 -15.228 8.821 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -8.600 -16.137 5.907 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.148 -17.132 7.277 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.905 -15.954 6.766 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.441 -17.626 6.526 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -9.921 -17.834 8.951 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -10.377 -16.160 9.194 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.232 -17.638 9.811 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -12.678 -16.648 8.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.264 -19.066 8.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.388 -18.454 6.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -11.606 -19.403 8.135 1.00 0.00 H new ATOM 1153 N HIS A 74 -6.636 -13.501 7.210 1.00 0.00 N ATOM 1154 CA HIS A 74 -5.252 -13.062 7.002 1.00 0.00 C ATOM 1155 C HIS A 74 -5.248 -11.721 6.275 1.00 0.00 C ATOM 1156 O HIS A 74 -5.942 -11.556 5.273 1.00 0.00 O ATOM 1157 CB HIS A 74 -4.460 -14.107 6.212 1.00 0.00 C ATOM 1158 CG HIS A 74 -5.194 -14.649 5.026 1.00 0.00 C ATOM 1159 ND1 HIS A 74 -5.652 -13.856 3.994 1.00 0.00 N ATOM 1160 CD2 HIS A 74 -5.553 -15.916 4.712 1.00 0.00 C ATOM 1161 CE1 HIS A 74 -6.261 -14.615 3.099 1.00 0.00 C ATOM 1162 NE2 HIS A 74 -6.214 -15.868 3.511 1.00 0.00 N ATOM 0 H HIS A 74 -7.331 -12.773 7.044 1.00 0.00 H new ATOM 0 HA HIS A 74 -4.769 -12.945 7.972 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -3.523 -13.662 5.876 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -4.201 -14.932 6.876 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -5.539 -12.844 3.931 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -5.355 -16.801 5.299 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -6.720 -14.268 2.185 1.00 0.00 H new ATOM 1171 N PHE A 75 -4.491 -10.751 6.789 1.00 0.00 N ATOM 1172 CA PHE A 75 -4.467 -9.428 6.172 1.00 0.00 C ATOM 1173 C PHE A 75 -3.377 -8.531 6.743 1.00 0.00 C ATOM 1174 O PHE A 75 -2.735 -8.857 7.741 1.00 0.00 O ATOM 1175 CB PHE A 75 -5.819 -8.745 6.397 1.00 0.00 C ATOM 1176 CG PHE A 75 -6.194 -8.603 7.849 1.00 0.00 C ATOM 1177 CD1 PHE A 75 -5.478 -7.762 8.687 1.00 0.00 C ATOM 1178 CD2 PHE A 75 -7.262 -9.312 8.377 1.00 0.00 C ATOM 1179 CE1 PHE A 75 -5.816 -7.632 10.020 1.00 0.00 C ATOM 1180 CE2 PHE A 75 -7.607 -9.186 9.709 1.00 0.00 C ATOM 1181 CZ PHE A 75 -6.883 -8.344 10.532 1.00 0.00 C ATOM 0 H PHE A 75 -3.899 -10.853 7.613 1.00 0.00 H new ATOM 0 HA PHE A 75 -4.261 -9.573 5.111 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -5.797 -7.756 5.939 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -6.594 -9.316 5.885 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.644 -7.201 8.292 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -7.832 -9.971 7.739 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -5.247 -6.975 10.661 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -8.441 -9.745 10.107 1.00 0.00 H new ATOM 0 HZ PHE A 75 -7.151 -8.243 11.573 1.00 0.00 H new ATOM 1191 N ILE A 76 -3.219 -7.375 6.109 1.00 0.00 N ATOM 1192 CA ILE A 76 -2.252 -6.372 6.545 1.00 0.00 C ATOM 1193 C ILE A 76 -2.886 -4.989 6.545 1.00 0.00 C ATOM 1194 O ILE A 76 -3.888 -4.748 5.872 1.00 0.00 O ATOM 1195 CB ILE A 76 -0.977 -6.372 5.681 1.00 0.00 C ATOM 1196 CG1 ILE A 76 -0.094 -5.158 5.990 1.00 0.00 C ATOM 1197 CG2 ILE A 76 -1.332 -6.416 4.203 1.00 0.00 C ATOM 1198 CD1 ILE A 76 1.296 -5.260 5.401 1.00 0.00 C ATOM 0 H ILE A 76 -3.754 -7.107 5.283 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.955 -6.634 7.560 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.407 -7.268 5.927 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.578 -4.259 5.607 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.015 -5.041 7.071 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -0.418 -6.415 3.609 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.901 -7.321 3.992 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -1.932 -5.543 3.947 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.867 -4.368 5.658 1.00 0.00 H new ATOM 0 HD12 ILE A 76 1.798 -6.140 5.803 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.226 -5.346 4.317 1.00 0.00 H new ATOM 1210 N TYR A 77 -2.304 -4.094 7.325 1.00 0.00 N ATOM 1211 CA TYR A 77 -2.820 -2.734 7.444 1.00 0.00 C ATOM 1212 C TYR A 77 -1.689 -1.711 7.521 1.00 0.00 C ATOM 1213 O TYR A 77 -0.845 -1.768 8.413 1.00 0.00 O ATOM 1214 CB TYR A 77 -3.705 -2.634 8.690 1.00 0.00 C ATOM 1215 CG TYR A 77 -4.417 -1.308 8.854 1.00 0.00 C ATOM 1216 CD1 TYR A 77 -3.709 -0.124 9.037 1.00 0.00 C ATOM 1217 CD2 TYR A 77 -5.805 -1.243 8.835 1.00 0.00 C ATOM 1218 CE1 TYR A 77 -4.365 1.082 9.198 1.00 0.00 C ATOM 1219 CE2 TYR A 77 -6.467 -0.040 8.991 1.00 0.00 C ATOM 1220 CZ TYR A 77 -5.743 1.118 9.174 1.00 0.00 C ATOM 1221 OH TYR A 77 -6.401 2.316 9.335 1.00 0.00 O ATOM 0 H TYR A 77 -1.474 -4.281 7.887 1.00 0.00 H new ATOM 0 HA TYR A 77 -3.408 -2.510 6.554 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -4.450 -3.429 8.655 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -3.089 -2.812 9.572 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.629 -0.148 9.053 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.377 -2.149 8.696 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.801 1.992 9.342 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -7.546 -0.008 8.970 1.00 0.00 H new ATOM 0 HH TYR A 77 -7.369 2.166 9.291 1.00 0.00 H new ATOM 1231 N PHE A 78 -1.693 -0.766 6.584 1.00 0.00 N ATOM 1232 CA PHE A 78 -0.678 0.283 6.550 1.00 0.00 C ATOM 1233 C PHE A 78 -1.251 1.612 7.028 1.00 0.00 C ATOM 1234 O PHE A 78 -2.467 1.778 7.134 1.00 0.00 O ATOM 1235 CB PHE A 78 -0.130 0.474 5.136 1.00 0.00 C ATOM 1236 CG PHE A 78 0.563 -0.727 4.569 1.00 0.00 C ATOM 1237 CD1 PHE A 78 -0.140 -1.888 4.297 1.00 0.00 C ATOM 1238 CD2 PHE A 78 1.920 -0.689 4.303 1.00 0.00 C ATOM 1239 CE1 PHE A 78 0.500 -2.990 3.767 1.00 0.00 C ATOM 1240 CE2 PHE A 78 2.566 -1.788 3.776 1.00 0.00 C ATOM 1241 CZ PHE A 78 1.857 -2.940 3.507 1.00 0.00 C ATOM 0 H PHE A 78 -2.387 -0.705 5.839 1.00 0.00 H new ATOM 0 HA PHE A 78 0.127 -0.032 7.214 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.953 0.748 4.476 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.568 1.311 5.141 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.200 -1.932 4.501 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.480 0.211 4.510 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -0.058 -3.890 3.556 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.626 -1.746 3.574 1.00 0.00 H new ATOM 0 HZ PHE A 78 2.361 -3.801 3.094 1.00 0.00 H new ATOM 1251 N TYR A 79 -0.361 2.562 7.288 1.00 0.00 N ATOM 1252 CA TYR A 79 -0.755 3.890 7.725 1.00 0.00 C ATOM 1253 C TYR A 79 0.109 4.918 7.005 1.00 0.00 C ATOM 1254 O TYR A 79 1.308 4.706 6.823 1.00 0.00 O ATOM 1255 CB TYR A 79 -0.610 4.018 9.243 1.00 0.00 C ATOM 1256 CG TYR A 79 -1.290 5.236 9.820 1.00 0.00 C ATOM 1257 CD1 TYR A 79 -0.873 6.513 9.479 1.00 0.00 C ATOM 1258 CD2 TYR A 79 -2.352 5.107 10.706 1.00 0.00 C ATOM 1259 CE1 TYR A 79 -1.495 7.629 10.004 1.00 0.00 C ATOM 1260 CE2 TYR A 79 -2.981 6.217 11.235 1.00 0.00 C ATOM 1261 CZ TYR A 79 -2.547 7.476 10.880 1.00 0.00 C ATOM 1262 OH TYR A 79 -3.169 8.587 11.404 1.00 0.00 O ATOM 0 H TYR A 79 0.647 2.432 7.202 1.00 0.00 H new ATOM 0 HA TYR A 79 -1.802 4.065 7.480 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -1.022 3.126 9.714 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.450 4.051 9.496 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -0.049 6.637 8.792 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.692 4.121 10.986 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -1.158 8.617 9.729 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -3.806 6.099 11.921 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.892 8.305 12.003 1.00 0.00 H new ATOM 1272 N LEU A 80 -0.496 6.014 6.576 1.00 0.00 N ATOM 1273 CA LEU A 80 0.235 7.046 5.856 1.00 0.00 C ATOM 1274 C LEU A 80 -0.263 8.424 6.233 1.00 0.00 C ATOM 1275 O LEU A 80 -0.973 9.076 5.467 1.00 0.00 O ATOM 1276 CB LEU A 80 0.105 6.831 4.347 1.00 0.00 C ATOM 1277 CG LEU A 80 0.621 5.484 3.844 1.00 0.00 C ATOM 1278 CD1 LEU A 80 0.208 5.262 2.397 1.00 0.00 C ATOM 1279 CD2 LEU A 80 2.133 5.405 3.984 1.00 0.00 C ATOM 0 H LEU A 80 -1.487 6.212 6.713 1.00 0.00 H new ATOM 0 HA LEU A 80 1.287 6.976 6.134 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.945 6.928 4.070 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.646 7.626 3.833 1.00 0.00 H new ATOM 0 HG LEU A 80 0.178 4.697 4.454 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.584 4.298 2.055 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.879 5.274 2.323 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.623 6.055 1.774 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.482 4.438 3.621 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.595 6.201 3.399 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.408 5.519 5.033 1.00 0.00 H new ATOM 1291 N GLY A 81 0.122 8.857 7.425 1.00 0.00 N ATOM 1292 CA GLY A 81 -0.279 10.170 7.919 1.00 0.00 C ATOM 1293 C GLY A 81 -1.681 10.576 7.486 1.00 0.00 C ATOM 1294 O GLY A 81 -1.853 11.184 6.431 1.00 0.00 O ATOM 0 H GLY A 81 0.708 8.323 8.066 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.228 10.172 9.008 1.00 0.00 H new ATOM 0 HA3 GLY A 81 0.433 10.916 7.566 1.00 0.00 H new ATOM 1298 N GLN A 82 -2.677 10.229 8.304 1.00 0.00 N ATOM 1299 CA GLN A 82 -4.080 10.550 8.024 1.00 0.00 C ATOM 1300 C GLN A 82 -4.718 9.539 7.067 1.00 0.00 C ATOM 1301 O GLN A 82 -5.943 9.472 6.965 1.00 0.00 O ATOM 1302 CB GLN A 82 -4.229 11.965 7.455 1.00 0.00 C ATOM 1303 CG GLN A 82 -3.608 13.041 8.330 1.00 0.00 C ATOM 1304 CD GLN A 82 -3.769 14.431 7.748 1.00 0.00 C ATOM 1305 OE1 GLN A 82 -4.886 14.902 7.537 1.00 0.00 O ATOM 1306 NE2 GLN A 82 -2.651 15.096 7.485 1.00 0.00 N ATOM 0 H GLN A 82 -2.536 9.719 9.176 1.00 0.00 H new ATOM 0 HA GLN A 82 -4.605 10.498 8.978 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -3.769 12.001 6.468 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -5.288 12.184 7.321 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -4.067 13.010 9.318 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.547 12.828 8.464 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -1.746 14.667 7.676 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -2.697 16.036 7.092 1.00 0.00 H new ATOM 1315 N VAL A 83 -3.898 8.753 6.374 1.00 0.00 N ATOM 1316 CA VAL A 83 -4.416 7.760 5.443 1.00 0.00 C ATOM 1317 C VAL A 83 -4.275 6.362 6.031 1.00 0.00 C ATOM 1318 O VAL A 83 -3.423 6.124 6.888 1.00 0.00 O ATOM 1319 CB VAL A 83 -3.688 7.810 4.085 1.00 0.00 C ATOM 1320 CG1 VAL A 83 -4.464 7.053 3.018 1.00 0.00 C ATOM 1321 CG2 VAL A 83 -3.441 9.249 3.656 1.00 0.00 C ATOM 0 H VAL A 83 -2.881 8.785 6.440 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.468 7.993 5.278 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.722 7.320 4.206 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.927 7.106 2.071 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.571 6.010 3.317 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.451 7.500 2.900 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.926 9.259 2.695 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.394 9.769 3.562 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.825 9.751 4.403 1.00 0.00 H new ATOM 1331 N ALA A 84 -5.111 5.439 5.576 1.00 0.00 N ATOM 1332 CA ALA A 84 -5.072 4.071 6.066 1.00 0.00 C ATOM 1333 C ALA A 84 -5.299 3.071 4.941 1.00 0.00 C ATOM 1334 O ALA A 84 -6.361 3.049 4.319 1.00 0.00 O ATOM 1335 CB ALA A 84 -6.111 3.880 7.160 1.00 0.00 C ATOM 0 H ALA A 84 -5.824 5.614 4.868 1.00 0.00 H new ATOM 0 HA ALA A 84 -4.080 3.888 6.478 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -6.074 2.852 7.521 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -5.901 4.562 7.984 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -7.103 4.089 6.760 1.00 0.00 H new ATOM 1341 N ILE A 85 -4.297 2.235 4.692 1.00 0.00 N ATOM 1342 CA ILE A 85 -4.392 1.223 3.649 1.00 0.00 C ATOM 1343 C ILE A 85 -4.628 -0.155 4.250 1.00 0.00 C ATOM 1344 O ILE A 85 -4.073 -0.496 5.293 1.00 0.00 O ATOM 1345 CB ILE A 85 -3.128 1.199 2.756 1.00 0.00 C ATOM 1346 CG1 ILE A 85 -3.263 2.236 1.648 1.00 0.00 C ATOM 1347 CG2 ILE A 85 -2.891 -0.183 2.161 1.00 0.00 C ATOM 1348 CD1 ILE A 85 -2.064 2.296 0.723 1.00 0.00 C ATOM 0 H ILE A 85 -3.411 2.239 5.198 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.244 1.488 3.023 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.266 1.442 3.378 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.154 2.014 1.060 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.414 3.218 2.097 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.996 -0.163 1.540 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -2.759 -0.907 2.965 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.749 -0.469 1.552 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.231 3.056 -0.040 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.173 2.549 1.298 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.924 1.326 0.245 1.00 0.00 H new ATOM 1360 N LEU A 86 -5.464 -0.939 3.581 1.00 0.00 N ATOM 1361 CA LEU A 86 -5.781 -2.277 4.049 1.00 0.00 C ATOM 1362 C LEU A 86 -5.708 -3.298 2.925 1.00 0.00 C ATOM 1363 O LEU A 86 -6.542 -3.307 2.020 1.00 0.00 O ATOM 1364 CB LEU A 86 -7.174 -2.306 4.671 1.00 0.00 C ATOM 1365 CG LEU A 86 -7.429 -1.227 5.715 1.00 0.00 C ATOM 1366 CD1 LEU A 86 -7.854 0.074 5.049 1.00 0.00 C ATOM 1367 CD2 LEU A 86 -8.472 -1.695 6.717 1.00 0.00 C ATOM 0 H LEU A 86 -5.932 -0.670 2.716 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.038 -2.542 4.801 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.914 -2.205 3.877 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.331 -3.282 5.131 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.501 -1.039 6.255 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.031 0.832 5.812 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.066 0.413 4.377 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.770 -0.090 4.481 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -8.643 -0.913 7.456 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -9.405 -1.912 6.197 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.117 -2.596 7.217 1.00 0.00 H new ATOM 1379 N LEU A 87 -4.718 -4.172 3.009 1.00 0.00 N ATOM 1380 CA LEU A 87 -4.538 -5.227 2.024 1.00 0.00 C ATOM 1381 C LEU A 87 -4.905 -6.565 2.629 1.00 0.00 C ATOM 1382 O LEU A 87 -4.643 -6.820 3.803 1.00 0.00 O ATOM 1383 CB LEU A 87 -3.100 -5.263 1.528 1.00 0.00 C ATOM 1384 CG LEU A 87 -2.823 -4.306 0.385 1.00 0.00 C ATOM 1385 CD1 LEU A 87 -2.927 -2.863 0.853 1.00 0.00 C ATOM 1386 CD2 LEU A 87 -1.464 -4.583 -0.239 1.00 0.00 C ATOM 0 H LEU A 87 -4.022 -4.171 3.755 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.191 -5.021 1.176 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.433 -5.026 2.357 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.862 -6.277 1.207 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.580 -4.466 -0.383 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -2.724 -2.194 0.017 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.931 -2.675 1.233 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.200 -2.684 1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.289 -3.883 -1.056 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.686 -4.462 0.515 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.441 -5.603 -0.623 1.00 0.00 H new ATOM 1398 N PHE A 88 -5.511 -7.415 1.824 1.00 0.00 N ATOM 1399 CA PHE A 88 -5.910 -8.733 2.295 1.00 0.00 C ATOM 1400 C PHE A 88 -6.547 -9.563 1.185 1.00 0.00 C ATOM 1401 O PHE A 88 -6.722 -9.097 0.063 1.00 0.00 O ATOM 1402 CB PHE A 88 -6.870 -8.622 3.482 1.00 0.00 C ATOM 1403 CG PHE A 88 -8.125 -7.831 3.220 1.00 0.00 C ATOM 1404 CD1 PHE A 88 -8.086 -6.447 3.130 1.00 0.00 C ATOM 1405 CD2 PHE A 88 -9.346 -8.473 3.086 1.00 0.00 C ATOM 1406 CE1 PHE A 88 -9.242 -5.721 2.909 1.00 0.00 C ATOM 1407 CE2 PHE A 88 -10.503 -7.752 2.861 1.00 0.00 C ATOM 1408 CZ PHE A 88 -10.452 -6.374 2.774 1.00 0.00 C ATOM 0 H PHE A 88 -5.738 -7.222 0.848 1.00 0.00 H new ATOM 0 HA PHE A 88 -5.003 -9.244 2.620 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.152 -9.627 3.796 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -6.339 -8.165 4.317 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -7.143 -5.931 3.234 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -9.394 -9.550 3.158 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -9.199 -4.644 2.842 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -11.447 -8.265 2.753 1.00 0.00 H new ATOM 0 HZ PHE A 88 -11.356 -5.809 2.601 1.00 0.00 H new ATOM 1418 N LYS A 89 -6.892 -10.801 1.522 1.00 0.00 N ATOM 1419 CA LYS A 89 -7.511 -11.726 0.586 1.00 0.00 C ATOM 1420 C LYS A 89 -8.753 -12.353 1.211 1.00 0.00 C ATOM 1421 O LYS A 89 -8.654 -13.176 2.122 1.00 0.00 O ATOM 1422 CB LYS A 89 -6.489 -12.803 0.184 1.00 0.00 C ATOM 1423 CG LYS A 89 -7.093 -14.123 -0.260 1.00 0.00 C ATOM 1424 CD LYS A 89 -7.739 -13.990 -1.618 1.00 0.00 C ATOM 1425 CE LYS A 89 -6.686 -13.845 -2.705 1.00 0.00 C ATOM 1426 NZ LYS A 89 -5.683 -14.944 -2.657 1.00 0.00 N ATOM 0 H LYS A 89 -6.749 -11.190 2.454 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.823 -11.189 -0.310 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -5.871 -12.413 -0.624 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -5.827 -12.989 1.030 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -6.318 -14.889 -0.295 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -7.834 -14.452 0.469 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -8.357 -14.865 -1.819 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.400 -13.123 -1.628 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -7.171 -13.838 -3.681 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -6.179 -12.886 -2.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -5.213 -15.025 -3.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -4.974 -14.736 -1.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -6.160 -15.840 -2.432 1.00 0.00 H new ATOM 1440 N SER A 90 -9.924 -11.963 0.715 1.00 0.00 N ATOM 1441 CA SER A 90 -11.182 -12.492 1.226 1.00 0.00 C ATOM 1442 C SER A 90 -11.600 -13.735 0.452 1.00 0.00 C ATOM 1443 O SER A 90 -12.788 -14.029 0.320 1.00 0.00 O ATOM 1444 CB SER A 90 -12.282 -11.432 1.143 1.00 0.00 C ATOM 1445 OG SER A 90 -11.932 -10.273 1.880 1.00 0.00 O ATOM 0 H SER A 90 -10.027 -11.284 -0.039 1.00 0.00 H new ATOM 0 HA SER A 90 -11.033 -12.766 2.270 1.00 0.00 H new ATOM 0 HB2 SER A 90 -12.456 -11.165 0.101 1.00 0.00 H new ATOM 0 HB3 SER A 90 -13.216 -11.842 1.527 1.00 0.00 H new ATOM 0 HG SER A 90 -11.133 -9.864 1.487 1.00 0.00 H new ATOM 1451 N GLY A 91 -10.614 -14.462 -0.061 1.00 0.00 N ATOM 1452 CA GLY A 91 -10.893 -15.667 -0.818 1.00 0.00 C ATOM 1453 C GLY A 91 -11.352 -16.813 0.064 1.00 0.00 C ATOM 1454 O GLY A 91 -11.365 -16.640 1.301 1.00 0.00 O ATOM 1455 OXT GLY A 91 -11.700 -17.880 -0.484 1.00 0.00 O ATOM 0 H GLY A 91 -9.624 -14.237 0.035 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -11.661 -15.455 -1.562 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.997 -15.967 -1.361 1.00 0.00 H new TER 1459 GLY A 91