USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 782 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 81 LYS NZ :NH3+ -133:sc= -0.17 (180deg=-0.76!) USER MOD Set 1.2: A 90 MET CE :methyl -152:sc= -20.2! (180deg=-20!) USER MOD Set 2.1: A 24 SER OG : rot -125:sc= 0.435 USER MOD Set 2.2: A 54 THR OG1 : rot 113:sc= 2.3 USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ -112:sc= 0.0178 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -119:sc= -1.31! (180deg=-2.81!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.117 USER MOD Single : A 15 THR OG1 : rot -44:sc= 0.628 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN :FLIP amide:sc= -0.0386 F(o=-4.4!,f=-0.039) USER MOD Single : A 19 GLN :FLIP amide:sc= -1.74! C(o=-6.2!,f=-1.7!) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0544 K(o=-0.054,f=-0.8) USER MOD Single : A 27 ASN : amide:sc= 0.0192 X(o=0.019,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 29:sc= -0.133 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.0379 K(o=-0.038,f=-0.62) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= -6.74! C(o=-6.7!,f=-14!) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 51 THR OG1 : rot -40:sc= 0.153 USER MOD Single : A 57 HIS : no HD1:sc= -4.6! C(o=-4.6!,f=-4.4!) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HE2:sc= -6.83! C(o=-6.8!,f=-13!) USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 140:sc= 0 USER MOD Single : A 72 SER OG : rot 8:sc= 0.778! USER MOD Single : A 73 SER OG : rot -179:sc= 0.00967 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 MET CE :methyl -144:sc= -13.4! (180deg=-18.3!) USER MOD Single : A 79 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0425) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 53:sc= -2.35 USER MOD Single : A 94 THR OG1 : rot 180:sc= -1.42 USER MOD Single : A 99 ASN : amide:sc= -5.99! C(o=-6!,f=-13!) USER MOD Single : A 105 SER OG : rot 6:sc= 0.195! USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 1.781 -7.568 -2.744 1.00 0.00 N ATOM 2 CA GLN A 1 2.815 -7.654 -1.733 1.00 0.00 C ATOM 3 C GLN A 1 4.075 -6.952 -2.222 1.00 0.00 C ATOM 4 O GLN A 1 4.000 -6.025 -3.024 1.00 0.00 O ATOM 5 CB GLN A 1 3.101 -9.120 -1.423 1.00 0.00 C ATOM 6 CG GLN A 1 2.265 -9.559 -0.225 1.00 0.00 C ATOM 7 CD GLN A 1 2.263 -11.075 -0.088 1.00 0.00 C ATOM 8 OE1 GLN A 1 1.327 -11.739 -0.528 1.00 0.00 O ATOM 9 NE2 GLN A 1 3.317 -11.622 0.522 1.00 0.00 N ATOM 0 H1 GLN A 1 1.012 -6.956 -2.403 1.00 0.00 H new ATOM 0 H2 GLN A 1 2.181 -7.168 -3.617 1.00 0.00 H new ATOM 0 H3 GLN A 1 1.406 -8.518 -2.939 1.00 0.00 H new ATOM 0 HA GLN A 1 2.478 -7.161 -0.821 1.00 0.00 H new ATOM 0 HB2 GLN A 1 2.867 -9.738 -2.290 1.00 0.00 H new ATOM 0 HB3 GLN A 1 4.161 -9.258 -1.210 1.00 0.00 H new ATOM 0 HG2 GLN A 1 2.662 -9.109 0.685 1.00 0.00 H new ATOM 0 HG3 GLN A 1 1.242 -9.199 -0.339 1.00 0.00 H new ATOM 0 HE21 GLN A 1 4.070 -11.028 0.870 1.00 0.00 H new ATOM 0 HE22 GLN A 1 3.370 -12.634 0.640 1.00 0.00 H new ATOM 20 N LEU A 2 5.235 -7.399 -1.736 1.00 0.00 N ATOM 21 CA LEU A 2 6.504 -6.814 -2.124 1.00 0.00 C ATOM 22 C LEU A 2 6.398 -5.295 -2.111 1.00 0.00 C ATOM 23 O LEU A 2 6.480 -4.656 -3.157 1.00 0.00 O ATOM 24 CB LEU A 2 6.891 -7.316 -3.511 1.00 0.00 C ATOM 25 CG LEU A 2 6.301 -8.706 -3.732 1.00 0.00 C ATOM 26 CD1 LEU A 2 6.761 -9.246 -5.082 1.00 0.00 C ATOM 27 CD2 LEU A 2 6.774 -9.641 -2.622 1.00 0.00 C ATOM 0 H LEU A 2 5.313 -8.168 -1.071 1.00 0.00 H new ATOM 0 HA LEU A 2 7.277 -7.111 -1.415 1.00 0.00 H new ATOM 0 HB2 LEU A 2 6.525 -6.628 -4.273 1.00 0.00 H new ATOM 0 HB3 LEU A 2 7.976 -7.350 -3.607 1.00 0.00 H new ATOM 0 HG LEU A 2 5.213 -8.645 -3.718 1.00 0.00 H new ATOM 0 HD11 LEU A 2 6.339 -10.239 -5.240 1.00 0.00 H new ATOM 0 HD12 LEU A 2 6.424 -8.579 -5.875 1.00 0.00 H new ATOM 0 HD13 LEU A 2 7.849 -9.307 -5.098 1.00 0.00 H new ATOM 0 HD21 LEU A 2 6.353 -10.634 -2.779 1.00 0.00 H new ATOM 0 HD22 LEU A 2 7.862 -9.702 -2.636 1.00 0.00 H new ATOM 0 HD23 LEU A 2 6.445 -9.256 -1.657 1.00 0.00 H new ATOM 39 N PRO A 3 6.216 -4.719 -0.920 1.00 0.00 N ATOM 40 CA PRO A 3 6.095 -3.292 -0.715 1.00 0.00 C ATOM 41 C PRO A 3 7.454 -2.632 -0.906 1.00 0.00 C ATOM 42 O PRO A 3 7.552 -1.408 -0.941 1.00 0.00 O ATOM 43 CB PRO A 3 5.612 -3.143 0.726 1.00 0.00 C ATOM 44 CG PRO A 3 6.212 -4.368 1.413 1.00 0.00 C ATOM 45 CD PRO A 3 6.115 -5.441 0.330 1.00 0.00 C ATOM 0 HA PRO A 3 5.409 -2.819 -1.418 1.00 0.00 H new ATOM 0 HB2 PRO A 3 5.963 -2.214 1.176 1.00 0.00 H new ATOM 0 HB3 PRO A 3 4.524 -3.136 0.789 1.00 0.00 H new ATOM 0 HG2 PRO A 3 7.243 -4.195 1.721 1.00 0.00 H new ATOM 0 HG3 PRO A 3 5.654 -4.644 2.308 1.00 0.00 H new ATOM 0 HD2 PRO A 3 6.915 -6.175 0.428 1.00 0.00 H new ATOM 0 HD3 PRO A 3 5.173 -5.986 0.397 1.00 0.00 H new ATOM 53 N ARG A 4 8.503 -3.449 -1.026 1.00 0.00 N ATOM 54 CA ARG A 4 9.849 -2.941 -1.210 1.00 0.00 C ATOM 55 C ARG A 4 10.476 -3.577 -2.443 1.00 0.00 C ATOM 56 O ARG A 4 10.508 -4.799 -2.566 1.00 0.00 O ATOM 57 CB ARG A 4 10.678 -3.244 0.035 1.00 0.00 C ATOM 58 CG ARG A 4 11.838 -2.257 0.125 1.00 0.00 C ATOM 59 CD ARG A 4 11.605 -1.302 1.292 1.00 0.00 C ATOM 60 NE ARG A 4 10.175 -1.090 1.519 1.00 0.00 N ATOM 61 CZ ARG A 4 9.469 -0.150 0.877 1.00 0.00 C ATOM 62 NH1 ARG A 4 10.071 0.644 -0.019 1.00 0.00 N ATOM 63 NH2 ARG A 4 8.161 -0.004 1.130 1.00 0.00 N ATOM 0 H ARG A 4 8.438 -4.467 -0.998 1.00 0.00 H new ATOM 0 HA ARG A 4 9.819 -1.862 -1.358 1.00 0.00 H new ATOM 0 HB2 ARG A 4 10.055 -3.172 0.926 1.00 0.00 H new ATOM 0 HB3 ARG A 4 11.057 -4.265 -0.007 1.00 0.00 H new ATOM 0 HG2 ARG A 4 12.776 -2.794 0.263 1.00 0.00 H new ATOM 0 HG3 ARG A 4 11.925 -1.696 -0.806 1.00 0.00 H new ATOM 0 HD2 ARG A 4 12.064 -1.706 2.194 1.00 0.00 H new ATOM 0 HD3 ARG A 4 12.090 -0.347 1.088 1.00 0.00 H new ATOM 0 HE ARG A 4 9.695 -1.684 2.195 1.00 0.00 H new ATOM 0 HH11 ARG A 4 11.066 0.532 -0.212 1.00 0.00 H new ATOM 0 HH12 ARG A 4 9.534 1.360 -0.508 1.00 0.00 H new ATOM 0 HH21 ARG A 4 7.703 -0.609 1.812 1.00 0.00 H new ATOM 0 HH22 ARG A 4 7.624 0.712 0.641 1.00 0.00 H new ATOM 77 N LEU A 5 10.974 -2.742 -3.357 1.00 0.00 N ATOM 78 CA LEU A 5 11.597 -3.223 -4.574 1.00 0.00 C ATOM 79 C LEU A 5 12.916 -2.499 -4.801 1.00 0.00 C ATOM 80 O LEU A 5 12.989 -1.280 -4.666 1.00 0.00 O ATOM 81 CB LEU A 5 10.650 -3.003 -5.751 1.00 0.00 C ATOM 82 CG LEU A 5 9.919 -4.305 -6.067 1.00 0.00 C ATOM 83 CD1 LEU A 5 10.938 -5.418 -6.292 1.00 0.00 C ATOM 84 CD2 LEU A 5 9.011 -4.674 -4.898 1.00 0.00 C ATOM 0 H LEU A 5 10.954 -1.726 -3.269 1.00 0.00 H new ATOM 0 HA LEU A 5 11.802 -4.290 -4.484 1.00 0.00 H new ATOM 0 HB2 LEU A 5 9.931 -2.219 -5.512 1.00 0.00 H new ATOM 0 HB3 LEU A 5 11.210 -2.667 -6.624 1.00 0.00 H new ATOM 0 HG LEU A 5 9.318 -4.176 -6.967 1.00 0.00 H new ATOM 0 HD11 LEU A 5 10.417 -6.348 -6.518 1.00 0.00 H new ATOM 0 HD12 LEU A 5 11.587 -5.154 -7.127 1.00 0.00 H new ATOM 0 HD13 LEU A 5 11.539 -5.548 -5.392 1.00 0.00 H new ATOM 0 HD21 LEU A 5 8.488 -5.604 -5.123 1.00 0.00 H new ATOM 0 HD22 LEU A 5 9.612 -4.804 -3.998 1.00 0.00 H new ATOM 0 HD23 LEU A 5 8.283 -3.879 -4.737 1.00 0.00 H new ATOM 96 N CYS A 6 13.961 -3.255 -5.147 1.00 0.00 N ATOM 97 CA CYS A 6 15.271 -2.685 -5.390 1.00 0.00 C ATOM 98 C CYS A 6 15.998 -3.501 -6.449 1.00 0.00 C ATOM 99 O CYS A 6 15.649 -4.654 -6.695 1.00 0.00 O ATOM 100 CB CYS A 6 16.064 -2.659 -4.086 1.00 0.00 C ATOM 101 SG CYS A 6 15.150 -1.974 -2.683 1.00 0.00 S ATOM 0 H CYS A 6 13.916 -4.267 -5.263 1.00 0.00 H new ATOM 0 HA CYS A 6 15.167 -1.663 -5.755 1.00 0.00 H new ATOM 0 HB2 CYS A 6 16.376 -3.674 -3.842 1.00 0.00 H new ATOM 0 HB3 CYS A 6 16.971 -2.074 -4.236 1.00 0.00 H new ATOM 106 N LYS A 7 17.012 -2.900 -7.076 1.00 0.00 N ATOM 107 CA LYS A 7 17.782 -3.574 -8.103 1.00 0.00 C ATOM 108 C LYS A 7 18.783 -4.524 -7.461 1.00 0.00 C ATOM 109 O LYS A 7 19.229 -4.296 -6.338 1.00 0.00 O ATOM 110 CB LYS A 7 18.496 -2.537 -8.964 1.00 0.00 C ATOM 111 CG LYS A 7 17.955 -2.601 -10.390 1.00 0.00 C ATOM 112 CD LYS A 7 17.754 -1.186 -10.923 1.00 0.00 C ATOM 113 CE LYS A 7 18.834 -0.871 -11.954 1.00 0.00 C ATOM 114 NZ LYS A 7 18.387 0.177 -12.884 1.00 0.00 N ATOM 0 H LYS A 7 17.313 -1.945 -6.884 1.00 0.00 H new ATOM 0 HA LYS A 7 17.115 -4.158 -8.737 1.00 0.00 H new ATOM 0 HB2 LYS A 7 18.345 -1.540 -8.551 1.00 0.00 H new ATOM 0 HB3 LYS A 7 19.570 -2.724 -8.962 1.00 0.00 H new ATOM 0 HG2 LYS A 7 18.649 -3.146 -11.029 1.00 0.00 H new ATOM 0 HG3 LYS A 7 17.011 -3.145 -10.408 1.00 0.00 H new ATOM 0 HD2 LYS A 7 16.767 -1.093 -11.375 1.00 0.00 H new ATOM 0 HD3 LYS A 7 17.798 -0.468 -10.104 1.00 0.00 H new ATOM 0 HE2 LYS A 7 19.743 -0.548 -11.446 1.00 0.00 H new ATOM 0 HE3 LYS A 7 19.084 -1.774 -12.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 18.375 -0.201 -13.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 17.430 0.488 -12.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 19.040 0.985 -12.836 1.00 0.00 H new ATOM 128 N PHE A 8 19.136 -5.592 -8.178 1.00 0.00 N ATOM 129 CA PHE A 8 20.082 -6.569 -7.676 1.00 0.00 C ATOM 130 C PHE A 8 20.967 -7.062 -8.812 1.00 0.00 C ATOM 131 O PHE A 8 20.613 -8.009 -9.511 1.00 0.00 O ATOM 132 CB PHE A 8 19.323 -7.730 -7.038 1.00 0.00 C ATOM 133 CG PHE A 8 20.067 -8.383 -5.898 1.00 0.00 C ATOM 134 CD1 PHE A 8 21.076 -9.315 -6.166 1.00 0.00 C ATOM 135 CD2 PHE A 8 19.749 -8.055 -4.575 1.00 0.00 C ATOM 136 CE1 PHE A 8 21.768 -9.920 -5.109 1.00 0.00 C ATOM 137 CE2 PHE A 8 20.441 -8.659 -3.519 1.00 0.00 C ATOM 138 CZ PHE A 8 21.450 -9.592 -3.786 1.00 0.00 C ATOM 0 H PHE A 8 18.775 -5.796 -9.110 1.00 0.00 H new ATOM 0 HA PHE A 8 20.719 -6.109 -6.920 1.00 0.00 H new ATOM 0 HB2 PHE A 8 18.361 -7.368 -6.674 1.00 0.00 H new ATOM 0 HB3 PHE A 8 19.113 -8.480 -7.801 1.00 0.00 H new ATOM 0 HD1 PHE A 8 21.321 -9.568 -7.187 1.00 0.00 H new ATOM 0 HD2 PHE A 8 18.970 -7.336 -4.369 1.00 0.00 H new ATOM 0 HE1 PHE A 8 22.547 -10.639 -5.315 1.00 0.00 H new ATOM 0 HE2 PHE A 8 20.197 -8.405 -2.498 1.00 0.00 H new ATOM 0 HZ PHE A 8 21.983 -10.059 -2.971 1.00 0.00 H new ATOM 148 N CYS A 9 22.121 -6.417 -8.995 1.00 0.00 N ATOM 149 CA CYS A 9 23.050 -6.791 -10.041 1.00 0.00 C ATOM 150 C CYS A 9 24.472 -6.768 -9.499 1.00 0.00 C ATOM 151 O CYS A 9 24.808 -5.931 -8.666 1.00 0.00 O ATOM 152 CB CYS A 9 22.904 -5.830 -11.217 1.00 0.00 C ATOM 153 SG CYS A 9 23.878 -4.313 -11.053 1.00 0.00 S ATOM 0 H CYS A 9 22.428 -5.630 -8.424 1.00 0.00 H new ATOM 0 HA CYS A 9 22.830 -7.801 -10.385 1.00 0.00 H new ATOM 0 HB2 CYS A 9 23.201 -6.343 -12.132 1.00 0.00 H new ATOM 0 HB3 CYS A 9 21.853 -5.564 -11.328 1.00 0.00 H new ATOM 158 N ASP A 10 25.310 -7.693 -9.976 1.00 0.00 N ATOM 159 CA ASP A 10 26.689 -7.773 -9.538 1.00 0.00 C ATOM 160 C ASP A 10 27.471 -6.584 -10.075 1.00 0.00 C ATOM 161 O ASP A 10 26.994 -5.873 -10.957 1.00 0.00 O ATOM 162 CB ASP A 10 27.299 -9.086 -10.023 1.00 0.00 C ATOM 163 CG ASP A 10 26.251 -10.191 -10.061 1.00 0.00 C ATOM 164 OD1 ASP A 10 25.587 -10.306 -11.114 1.00 0.00 O ATOM 165 OD2 ASP A 10 26.135 -10.899 -9.038 1.00 0.00 O ATOM 0 H ASP A 10 25.047 -8.395 -10.668 1.00 0.00 H new ATOM 0 HA ASP A 10 26.732 -7.747 -8.449 1.00 0.00 H new ATOM 0 HB2 ASP A 10 27.725 -8.949 -11.017 1.00 0.00 H new ATOM 0 HB3 ASP A 10 28.117 -9.377 -9.364 1.00 0.00 H new ATOM 170 N VAL A 11 28.675 -6.369 -9.542 1.00 0.00 N ATOM 171 CA VAL A 11 29.516 -5.269 -9.970 1.00 0.00 C ATOM 172 C VAL A 11 30.185 -5.615 -11.292 1.00 0.00 C ATOM 173 O VAL A 11 31.015 -6.520 -11.354 1.00 0.00 O ATOM 174 CB VAL A 11 30.561 -4.981 -8.895 1.00 0.00 C ATOM 175 CG1 VAL A 11 30.659 -6.173 -7.947 1.00 0.00 C ATOM 176 CG2 VAL A 11 31.916 -4.742 -9.555 1.00 0.00 C ATOM 0 H VAL A 11 29.084 -6.950 -8.810 1.00 0.00 H new ATOM 0 HA VAL A 11 28.907 -4.377 -10.116 1.00 0.00 H new ATOM 0 HB VAL A 11 30.269 -4.094 -8.333 1.00 0.00 H new ATOM 0 HG11 VAL A 11 31.405 -5.967 -7.180 1.00 0.00 H new ATOM 0 HG12 VAL A 11 29.691 -6.344 -7.476 1.00 0.00 H new ATOM 0 HG13 VAL A 11 30.951 -7.061 -8.508 1.00 0.00 H new ATOM 0 HG21 VAL A 11 32.663 -4.536 -8.788 1.00 0.00 H new ATOM 0 HG22 VAL A 11 32.208 -5.629 -10.118 1.00 0.00 H new ATOM 0 HG23 VAL A 11 31.846 -3.890 -10.231 1.00 0.00 H new ATOM 186 N LYS A 12 29.821 -4.893 -12.354 1.00 0.00 N ATOM 187 CA LYS A 12 30.386 -5.128 -13.667 1.00 0.00 C ATOM 188 C LYS A 12 30.726 -3.800 -14.330 1.00 0.00 C ATOM 189 O LYS A 12 30.229 -2.753 -13.920 1.00 0.00 O ATOM 190 CB LYS A 12 29.392 -5.916 -14.515 1.00 0.00 C ATOM 191 CG LYS A 12 27.989 -5.749 -13.939 1.00 0.00 C ATOM 192 CD LYS A 12 26.957 -5.955 -15.044 1.00 0.00 C ATOM 193 CE LYS A 12 25.561 -6.028 -14.431 1.00 0.00 C ATOM 194 NZ LYS A 12 24.541 -5.564 -15.383 1.00 0.00 N ATOM 0 H LYS A 12 29.134 -4.140 -12.321 1.00 0.00 H new ATOM 0 HA LYS A 12 31.304 -5.709 -13.572 1.00 0.00 H new ATOM 0 HB2 LYS A 12 29.418 -5.564 -15.546 1.00 0.00 H new ATOM 0 HB3 LYS A 12 29.667 -6.971 -14.531 1.00 0.00 H new ATOM 0 HG2 LYS A 12 27.826 -6.468 -13.136 1.00 0.00 H new ATOM 0 HG3 LYS A 12 27.879 -4.755 -13.504 1.00 0.00 H new ATOM 0 HD2 LYS A 12 27.008 -5.136 -15.761 1.00 0.00 H new ATOM 0 HD3 LYS A 12 27.173 -6.872 -15.592 1.00 0.00 H new ATOM 0 HE2 LYS A 12 25.345 -7.054 -14.132 1.00 0.00 H new ATOM 0 HE3 LYS A 12 25.524 -5.419 -13.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 23.601 -5.624 -14.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 24.737 -4.578 -15.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 24.562 -6.162 -16.234 1.00 0.00 H new ATOM 208 N ALA A 13 31.577 -3.846 -15.357 1.00 0.00 N ATOM 209 CA ALA A 13 31.979 -2.651 -16.071 1.00 0.00 C ATOM 210 C ALA A 13 30.747 -1.864 -16.496 1.00 0.00 C ATOM 211 O ALA A 13 29.979 -2.317 -17.342 1.00 0.00 O ATOM 212 CB ALA A 13 32.817 -3.042 -17.285 1.00 0.00 C ATOM 0 H ALA A 13 31.998 -4.706 -15.708 1.00 0.00 H new ATOM 0 HA ALA A 13 32.582 -2.019 -15.419 1.00 0.00 H new ATOM 0 HB1 ALA A 13 33.120 -2.144 -17.823 1.00 0.00 H new ATOM 0 HB2 ALA A 13 33.704 -3.584 -16.956 1.00 0.00 H new ATOM 0 HB3 ALA A 13 32.227 -3.678 -17.945 1.00 0.00 H new ATOM 218 N THR A 14 30.560 -0.681 -15.906 1.00 0.00 N ATOM 219 CA THR A 14 29.425 0.158 -16.228 1.00 0.00 C ATOM 220 C THR A 14 29.885 1.369 -17.029 1.00 0.00 C ATOM 221 O THR A 14 31.071 1.688 -17.053 1.00 0.00 O ATOM 222 CB THR A 14 28.733 0.594 -14.939 1.00 0.00 C ATOM 223 OG1 THR A 14 27.680 1.479 -15.248 1.00 0.00 O ATOM 224 CG2 THR A 14 29.741 1.298 -14.034 1.00 0.00 C ATOM 0 H THR A 14 31.187 -0.290 -15.203 1.00 0.00 H new ATOM 0 HA THR A 14 28.715 -0.404 -16.835 1.00 0.00 H new ATOM 0 HB THR A 14 28.334 -0.281 -14.426 1.00 0.00 H new ATOM 0 HG1 THR A 14 27.234 1.758 -14.421 1.00 0.00 H new ATOM 0 HG21 THR A 14 29.248 1.610 -13.113 1.00 0.00 H new ATOM 0 HG22 THR A 14 30.556 0.614 -13.796 1.00 0.00 H new ATOM 0 HG23 THR A 14 30.140 2.173 -14.546 1.00 0.00 H new ATOM 232 N THR A 15 28.939 2.044 -17.686 1.00 0.00 N ATOM 233 CA THR A 15 29.251 3.214 -18.481 1.00 0.00 C ATOM 234 C THR A 15 28.679 4.459 -17.819 1.00 0.00 C ATOM 235 O THR A 15 28.475 5.478 -18.476 1.00 0.00 O ATOM 236 CB THR A 15 28.682 3.039 -19.886 1.00 0.00 C ATOM 237 OG1 THR A 15 29.155 4.075 -20.717 1.00 0.00 O ATOM 238 CG2 THR A 15 27.158 3.089 -19.828 1.00 0.00 C ATOM 0 H THR A 15 27.951 1.792 -17.677 1.00 0.00 H new ATOM 0 HA THR A 15 30.332 3.331 -18.552 1.00 0.00 H new ATOM 0 HB THR A 15 28.999 2.077 -20.289 1.00 0.00 H new ATOM 0 HG1 THR A 15 29.104 4.928 -20.237 1.00 0.00 H new ATOM 0 HG21 THR A 15 26.751 2.964 -20.832 1.00 0.00 H new ATOM 0 HG22 THR A 15 26.792 2.288 -19.186 1.00 0.00 H new ATOM 0 HG23 THR A 15 26.841 4.051 -19.425 1.00 0.00 H new ATOM 246 N CYS A 16 28.421 4.374 -16.512 1.00 0.00 N ATOM 247 CA CYS A 16 27.875 5.490 -15.765 1.00 0.00 C ATOM 248 C CYS A 16 29.005 6.388 -15.283 1.00 0.00 C ATOM 249 O CYS A 16 30.020 5.901 -14.788 1.00 0.00 O ATOM 250 CB CYS A 16 27.061 4.962 -14.587 1.00 0.00 C ATOM 251 SG CYS A 16 25.432 5.732 -14.417 1.00 0.00 S ATOM 0 H CYS A 16 28.585 3.536 -15.954 1.00 0.00 H new ATOM 0 HA CYS A 16 27.219 6.078 -16.407 1.00 0.00 H new ATOM 0 HB2 CYS A 16 26.933 3.885 -14.700 1.00 0.00 H new ATOM 0 HB3 CYS A 16 27.625 5.121 -13.668 1.00 0.00 H new ATOM 256 N SER A 17 28.828 7.703 -15.427 1.00 0.00 N ATOM 257 CA SER A 17 29.831 8.660 -15.005 1.00 0.00 C ATOM 258 C SER A 17 29.360 9.381 -13.750 1.00 0.00 C ATOM 259 O SER A 17 28.196 9.281 -13.372 1.00 0.00 O ATOM 260 CB SER A 17 30.094 9.652 -16.134 1.00 0.00 C ATOM 261 OG SER A 17 30.889 9.038 -17.124 1.00 0.00 O ATOM 0 H SER A 17 27.993 8.122 -15.835 1.00 0.00 H new ATOM 0 HA SER A 17 30.761 8.140 -14.773 1.00 0.00 H new ATOM 0 HB2 SER A 17 29.151 9.986 -16.566 1.00 0.00 H new ATOM 0 HB3 SER A 17 30.598 10.537 -15.745 1.00 0.00 H new ATOM 0 HG SER A 17 31.057 9.674 -17.850 1.00 0.00 H new ATOM 267 N ASN A 18 30.272 10.113 -13.105 1.00 0.00 N ATOM 268 CA ASN A 18 29.946 10.848 -11.900 1.00 0.00 C ATOM 269 C ASN A 18 29.128 12.084 -12.250 1.00 0.00 C ATOM 270 O ASN A 18 29.590 13.210 -12.074 1.00 0.00 O ATOM 271 CB ASN A 18 31.234 11.239 -11.180 1.00 0.00 C ATOM 272 CG ASN A 18 32.125 12.081 -12.082 1.00 0.00 C ATOM 273 OD1 ASN A 18 32.627 11.476 -13.161 1.00 0.00 O flip ATOM 274 ND2 ASN A 18 32.359 13.256 -11.806 1.00 0.00 N flip ATOM 0 H ASN A 18 31.242 10.207 -13.405 1.00 0.00 H new ATOM 0 HA ASN A 18 29.350 10.220 -11.238 1.00 0.00 H new ATOM 0 HB2 ASN A 18 30.995 11.797 -10.275 1.00 0.00 H new ATOM 0 HB3 ASN A 18 31.769 10.341 -10.869 1.00 0.00 H new ATOM 0 HD21 ASN A 18 31.952 13.674 -10.970 1.00 0.00 H new ATOM 0 HD22 ASN A 18 32.960 13.813 -12.413 1.00 0.00 H new ATOM 281 N GLN A 19 27.909 11.870 -12.749 1.00 0.00 N ATOM 282 CA GLN A 19 27.034 12.962 -13.122 1.00 0.00 C ATOM 283 C GLN A 19 25.965 13.156 -12.056 1.00 0.00 C ATOM 284 O GLN A 19 25.637 12.223 -11.326 1.00 0.00 O ATOM 285 CB GLN A 19 26.398 12.663 -14.477 1.00 0.00 C ATOM 286 CG GLN A 19 27.353 11.815 -15.311 1.00 0.00 C ATOM 287 CD GLN A 19 28.537 12.643 -15.792 1.00 0.00 C ATOM 288 OE1 GLN A 19 29.712 12.404 -15.206 1.00 0.00 O flip ATOM 289 NE2 GLN A 19 28.390 13.483 -16.677 1.00 0.00 N flip ATOM 0 H GLN A 19 27.512 10.943 -12.901 1.00 0.00 H new ATOM 0 HA GLN A 19 27.611 13.884 -13.201 1.00 0.00 H new ATOM 0 HB2 GLN A 19 25.453 12.137 -14.339 1.00 0.00 H new ATOM 0 HB3 GLN A 19 26.172 13.593 -14.998 1.00 0.00 H new ATOM 0 HG2 GLN A 19 27.710 10.973 -14.718 1.00 0.00 H new ATOM 0 HG3 GLN A 19 26.823 11.399 -16.168 1.00 0.00 H new ATOM 0 HE21 GLN A 19 27.471 13.629 -17.094 1.00 0.00 H new ATOM 0 HE22 GLN A 19 29.187 14.034 -16.994 1.00 0.00 H new ATOM 298 N ASP A 20 25.421 14.371 -11.968 1.00 0.00 N ATOM 299 CA ASP A 20 24.393 14.681 -10.994 1.00 0.00 C ATOM 300 C ASP A 20 23.382 13.546 -10.934 1.00 0.00 C ATOM 301 O ASP A 20 22.793 13.290 -9.887 1.00 0.00 O ATOM 302 CB ASP A 20 23.713 15.993 -11.372 1.00 0.00 C ATOM 303 CG ASP A 20 22.371 16.133 -10.669 1.00 0.00 C ATOM 304 OD1 ASP A 20 22.388 16.205 -9.421 1.00 0.00 O ATOM 305 OD2 ASP A 20 21.351 16.164 -11.391 1.00 0.00 O ATOM 0 H ASP A 20 25.682 15.155 -12.566 1.00 0.00 H new ATOM 0 HA ASP A 20 24.843 14.793 -10.007 1.00 0.00 H new ATOM 0 HB2 ASP A 20 24.357 16.831 -11.105 1.00 0.00 H new ATOM 0 HB3 ASP A 20 23.568 16.034 -12.452 1.00 0.00 H new ATOM 310 N GLN A 21 23.179 12.863 -12.064 1.00 0.00 N ATOM 311 CA GLN A 21 22.240 11.762 -12.134 1.00 0.00 C ATOM 312 C GLN A 21 22.806 10.655 -13.012 1.00 0.00 C ATOM 313 O GLN A 21 23.242 10.909 -14.132 1.00 0.00 O ATOM 314 CB GLN A 21 20.910 12.265 -12.689 1.00 0.00 C ATOM 315 CG GLN A 21 19.845 11.185 -12.515 1.00 0.00 C ATOM 316 CD GLN A 21 18.468 11.718 -12.884 1.00 0.00 C ATOM 317 OE1 GLN A 21 17.549 11.684 -12.069 1.00 0.00 O ATOM 318 NE2 GLN A 21 18.327 12.210 -14.117 1.00 0.00 N ATOM 0 H GLN A 21 23.659 13.062 -12.942 1.00 0.00 H new ATOM 0 HA GLN A 21 22.074 11.357 -11.136 1.00 0.00 H new ATOM 0 HB2 GLN A 21 20.608 13.175 -12.171 1.00 0.00 H new ATOM 0 HB3 GLN A 21 21.017 12.519 -13.744 1.00 0.00 H new ATOM 0 HG2 GLN A 21 20.087 10.326 -13.141 1.00 0.00 H new ATOM 0 HG3 GLN A 21 19.840 10.836 -11.482 1.00 0.00 H new ATOM 0 HE21 GLN A 21 19.121 12.216 -14.758 1.00 0.00 H new ATOM 0 HE22 GLN A 21 17.425 12.580 -14.419 1.00 0.00 H new ATOM 327 N CYS A 22 22.798 9.422 -12.499 1.00 0.00 N ATOM 328 CA CYS A 22 23.309 8.284 -13.235 1.00 0.00 C ATOM 329 C CYS A 22 22.374 7.095 -13.058 1.00 0.00 C ATOM 330 O CYS A 22 21.464 7.136 -12.234 1.00 0.00 O ATOM 331 CB CYS A 22 24.713 7.947 -12.741 1.00 0.00 C ATOM 332 SG CYS A 22 25.934 7.766 -14.065 1.00 0.00 S ATOM 0 H CYS A 22 22.439 9.195 -11.571 1.00 0.00 H new ATOM 0 HA CYS A 22 23.361 8.526 -14.297 1.00 0.00 H new ATOM 0 HB2 CYS A 22 25.045 8.730 -12.059 1.00 0.00 H new ATOM 0 HB3 CYS A 22 24.673 7.021 -12.168 1.00 0.00 H new ATOM 337 N THR A 23 22.603 6.033 -13.834 1.00 0.00 N ATOM 338 CA THR A 23 21.781 4.842 -13.755 1.00 0.00 C ATOM 339 C THR A 23 22.606 3.677 -13.227 1.00 0.00 C ATOM 340 O THR A 23 23.833 3.704 -13.283 1.00 0.00 O ATOM 341 CB THR A 23 21.216 4.523 -15.136 1.00 0.00 C ATOM 342 OG1 THR A 23 20.554 5.658 -15.647 1.00 0.00 O ATOM 343 CG2 THR A 23 20.230 3.364 -15.027 1.00 0.00 C ATOM 0 H THR A 23 23.354 5.982 -14.522 1.00 0.00 H new ATOM 0 HA THR A 23 20.952 5.013 -13.068 1.00 0.00 H new ATOM 0 HB THR A 23 22.030 4.245 -15.806 1.00 0.00 H new ATOM 0 HG1 THR A 23 20.193 5.454 -16.535 1.00 0.00 H new ATOM 0 HG21 THR A 23 19.826 3.136 -16.013 1.00 0.00 H new ATOM 0 HG22 THR A 23 20.742 2.486 -14.633 1.00 0.00 H new ATOM 0 HG23 THR A 23 19.416 3.641 -14.357 1.00 0.00 H new ATOM 351 N SER A 24 21.925 2.650 -12.714 1.00 0.00 N ATOM 352 CA SER A 24 22.596 1.481 -12.181 1.00 0.00 C ATOM 353 C SER A 24 22.961 0.533 -13.314 1.00 0.00 C ATOM 354 O SER A 24 23.872 -0.281 -13.178 1.00 0.00 O ATOM 355 CB SER A 24 21.685 0.789 -11.171 1.00 0.00 C ATOM 356 OG SER A 24 22.192 0.985 -9.870 1.00 0.00 O ATOM 0 H SER A 24 20.907 2.612 -12.660 1.00 0.00 H new ATOM 0 HA SER A 24 23.514 1.783 -11.677 1.00 0.00 H new ATOM 0 HB2 SER A 24 20.674 1.189 -11.243 1.00 0.00 H new ATOM 0 HB3 SER A 24 21.622 -0.277 -11.392 1.00 0.00 H new ATOM 0 HG SER A 24 22.314 0.117 -9.432 1.00 0.00 H new ATOM 362 N ASN A 25 22.248 0.641 -14.437 1.00 0.00 N ATOM 363 CA ASN A 25 22.501 -0.203 -15.587 1.00 0.00 C ATOM 364 C ASN A 25 22.027 -1.622 -15.304 1.00 0.00 C ATOM 365 O ASN A 25 21.971 -2.454 -16.207 1.00 0.00 O ATOM 366 CB ASN A 25 23.993 -0.187 -15.909 1.00 0.00 C ATOM 367 CG ASN A 25 24.247 -0.666 -17.331 1.00 0.00 C ATOM 368 OD1 ASN A 25 23.515 -0.306 -18.249 1.00 0.00 O ATOM 369 ND2 ASN A 25 25.290 -1.481 -17.511 1.00 0.00 N ATOM 0 H ASN A 25 21.489 1.310 -14.566 1.00 0.00 H new ATOM 0 HA ASN A 25 21.951 0.177 -16.448 1.00 0.00 H new ATOM 0 HB2 ASN A 25 24.385 0.823 -15.786 1.00 0.00 H new ATOM 0 HB3 ASN A 25 24.528 -0.825 -15.205 1.00 0.00 H new ATOM 0 HD21 ASN A 25 25.508 -1.833 -18.443 1.00 0.00 H new ATOM 0 HD22 ASN A 25 25.869 -1.752 -16.716 1.00 0.00 H new ATOM 376 N CYS A 26 21.682 -1.895 -14.043 1.00 0.00 N ATOM 377 CA CYS A 26 21.214 -3.207 -13.645 1.00 0.00 C ATOM 378 C CYS A 26 19.862 -3.488 -14.287 1.00 0.00 C ATOM 379 O CYS A 26 19.193 -2.570 -14.755 1.00 0.00 O ATOM 380 CB CYS A 26 21.113 -3.270 -12.123 1.00 0.00 C ATOM 381 SG CYS A 26 22.669 -2.918 -11.269 1.00 0.00 S ATOM 0 H CYS A 26 21.722 -1.215 -13.284 1.00 0.00 H new ATOM 0 HA CYS A 26 21.919 -3.967 -13.981 1.00 0.00 H new ATOM 0 HB2 CYS A 26 20.358 -2.558 -11.789 1.00 0.00 H new ATOM 0 HB3 CYS A 26 20.767 -4.262 -11.832 1.00 0.00 H new ATOM 386 N ASN A 27 19.462 -4.761 -14.308 1.00 0.00 N ATOM 387 CA ASN A 27 18.196 -5.153 -14.891 1.00 0.00 C ATOM 388 C ASN A 27 17.564 -6.263 -14.062 1.00 0.00 C ATOM 389 O ASN A 27 17.039 -7.229 -14.610 1.00 0.00 O ATOM 390 CB ASN A 27 18.420 -5.614 -16.329 1.00 0.00 C ATOM 391 CG ASN A 27 17.353 -5.047 -17.254 1.00 0.00 C ATOM 392 OD1 ASN A 27 17.664 -4.293 -18.174 1.00 0.00 O ATOM 393 ND2 ASN A 27 16.093 -5.411 -17.009 1.00 0.00 N ATOM 0 H ASN A 27 20.005 -5.534 -13.924 1.00 0.00 H new ATOM 0 HA ASN A 27 17.516 -4.301 -14.897 1.00 0.00 H new ATOM 0 HB2 ASN A 27 19.406 -5.296 -16.667 1.00 0.00 H new ATOM 0 HB3 ASN A 27 18.403 -6.703 -16.373 1.00 0.00 H new ATOM 0 HD21 ASN A 27 15.337 -5.061 -17.598 1.00 0.00 H new ATOM 0 HD22 ASN A 27 15.885 -6.039 -16.233 1.00 0.00 H new ATOM 400 N ILE A 28 17.615 -6.119 -12.736 1.00 0.00 N ATOM 401 CA ILE A 28 17.049 -7.104 -11.835 1.00 0.00 C ATOM 402 C ILE A 28 16.197 -6.408 -10.783 1.00 0.00 C ATOM 403 O ILE A 28 16.463 -5.264 -10.423 1.00 0.00 O ATOM 404 CB ILE A 28 18.174 -7.901 -11.182 1.00 0.00 C ATOM 405 CG1 ILE A 28 18.885 -8.740 -12.241 1.00 0.00 C ATOM 406 CG2 ILE A 28 17.591 -8.821 -10.113 1.00 0.00 C ATOM 407 CD1 ILE A 28 19.985 -9.566 -11.580 1.00 0.00 C ATOM 0 H ILE A 28 18.047 -5.322 -12.268 1.00 0.00 H new ATOM 0 HA ILE A 28 16.413 -7.792 -12.392 1.00 0.00 H new ATOM 0 HB ILE A 28 18.886 -7.215 -10.723 1.00 0.00 H new ATOM 0 HG12 ILE A 28 18.172 -9.397 -12.739 1.00 0.00 H new ATOM 0 HG13 ILE A 28 19.312 -8.093 -13.007 1.00 0.00 H new ATOM 0 HG21 ILE A 28 18.394 -9.391 -9.646 1.00 0.00 H new ATOM 0 HG22 ILE A 28 17.083 -8.223 -9.356 1.00 0.00 H new ATOM 0 HG23 ILE A 28 16.879 -9.507 -10.572 1.00 0.00 H new ATOM 0 HD11 ILE A 28 20.493 -10.166 -12.335 1.00 0.00 H new ATOM 0 HD12 ILE A 28 20.703 -8.900 -11.102 1.00 0.00 H new ATOM 0 HD13 ILE A 28 19.545 -10.224 -10.830 1.00 0.00 H new ATOM 419 N THR A 29 15.170 -7.104 -10.289 1.00 0.00 N ATOM 420 CA THR A 29 14.289 -6.548 -9.282 1.00 0.00 C ATOM 421 C THR A 29 14.274 -7.447 -8.053 1.00 0.00 C ATOM 422 O THR A 29 13.627 -8.491 -8.050 1.00 0.00 O ATOM 423 CB THR A 29 12.885 -6.402 -9.861 1.00 0.00 C ATOM 424 OG1 THR A 29 12.973 -6.038 -11.221 1.00 0.00 O ATOM 425 CG2 THR A 29 12.128 -5.320 -9.094 1.00 0.00 C ATOM 0 H THR A 29 14.935 -8.054 -10.576 1.00 0.00 H new ATOM 0 HA THR A 29 14.650 -5.564 -8.982 1.00 0.00 H new ATOM 0 HB THR A 29 12.355 -7.350 -9.771 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.071 -5.946 -11.594 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.125 -5.215 -9.507 1.00 0.00 H new ATOM 0 HG22 THR A 29 12.060 -5.599 -8.043 1.00 0.00 H new ATOM 0 HG23 THR A 29 12.658 -4.372 -9.184 1.00 0.00 H new ATOM 433 N SER A 30 14.992 -7.035 -7.006 1.00 0.00 N ATOM 434 CA SER A 30 15.057 -7.801 -5.777 1.00 0.00 C ATOM 435 C SER A 30 14.035 -7.271 -4.783 1.00 0.00 C ATOM 436 O SER A 30 13.987 -6.072 -4.517 1.00 0.00 O ATOM 437 CB SER A 30 16.467 -7.716 -5.201 1.00 0.00 C ATOM 438 OG SER A 30 16.913 -6.380 -5.244 1.00 0.00 O ATOM 0 H SER A 30 15.535 -6.172 -6.993 1.00 0.00 H new ATOM 0 HA SER A 30 14.824 -8.846 -5.982 1.00 0.00 H new ATOM 0 HB2 SER A 30 16.474 -8.080 -4.174 1.00 0.00 H new ATOM 0 HB3 SER A 30 17.143 -8.355 -5.770 1.00 0.00 H new ATOM 0 HG SER A 30 16.144 -5.776 -5.177 1.00 0.00 H new ATOM 444 N ILE A 31 13.215 -8.170 -4.231 1.00 0.00 N ATOM 445 CA ILE A 31 12.200 -7.792 -3.269 1.00 0.00 C ATOM 446 C ILE A 31 12.781 -7.838 -1.863 1.00 0.00 C ATOM 447 O ILE A 31 13.436 -8.811 -1.492 1.00 0.00 O ATOM 448 CB ILE A 31 11.007 -8.735 -3.393 1.00 0.00 C ATOM 449 CG1 ILE A 31 10.541 -8.779 -4.845 1.00 0.00 C ATOM 450 CG2 ILE A 31 9.869 -8.235 -2.508 1.00 0.00 C ATOM 451 CD1 ILE A 31 10.099 -10.198 -5.195 1.00 0.00 C ATOM 0 H ILE A 31 13.242 -9.168 -4.442 1.00 0.00 H new ATOM 0 HA ILE A 31 11.864 -6.775 -3.469 1.00 0.00 H new ATOM 0 HB ILE A 31 11.301 -9.736 -3.076 1.00 0.00 H new ATOM 0 HG12 ILE A 31 9.716 -8.082 -4.995 1.00 0.00 H new ATOM 0 HG13 ILE A 31 11.348 -8.464 -5.507 1.00 0.00 H new ATOM 0 HG21 ILE A 31 9.017 -8.908 -2.596 1.00 0.00 H new ATOM 0 HG22 ILE A 31 10.201 -8.205 -1.470 1.00 0.00 H new ATOM 0 HG23 ILE A 31 9.575 -7.234 -2.824 1.00 0.00 H new ATOM 0 HD11 ILE A 31 9.766 -10.230 -6.232 1.00 0.00 H new ATOM 0 HD12 ILE A 31 10.936 -10.883 -5.061 1.00 0.00 H new ATOM 0 HD13 ILE A 31 9.279 -10.495 -4.541 1.00 0.00 H new ATOM 463 N CYS A 32 12.541 -6.785 -1.080 1.00 0.00 N ATOM 464 CA CYS A 32 13.041 -6.709 0.278 1.00 0.00 C ATOM 465 C CYS A 32 11.877 -6.750 1.258 1.00 0.00 C ATOM 466 O CYS A 32 11.640 -5.787 1.985 1.00 0.00 O ATOM 467 CB CYS A 32 13.850 -5.427 0.452 1.00 0.00 C ATOM 468 SG CYS A 32 15.175 -5.223 -0.764 1.00 0.00 S ATOM 0 H CYS A 32 11.999 -5.972 -1.373 1.00 0.00 H new ATOM 0 HA CYS A 32 13.690 -7.561 0.479 1.00 0.00 H new ATOM 0 HB2 CYS A 32 13.176 -4.573 0.387 1.00 0.00 H new ATOM 0 HB3 CYS A 32 14.283 -5.416 1.452 1.00 0.00 H new ATOM 473 N GLU A 33 11.148 -7.868 1.275 1.00 0.00 N ATOM 474 CA GLU A 33 10.015 -8.026 2.166 1.00 0.00 C ATOM 475 C GLU A 33 10.497 -8.124 3.606 1.00 0.00 C ATOM 476 O GLU A 33 9.690 -8.181 4.532 1.00 0.00 O ATOM 477 CB GLU A 33 9.230 -9.273 1.771 1.00 0.00 C ATOM 478 CG GLU A 33 9.946 -10.513 2.300 1.00 0.00 C ATOM 479 CD GLU A 33 9.157 -11.775 1.978 1.00 0.00 C ATOM 480 OE1 GLU A 33 9.359 -12.301 0.863 1.00 0.00 O ATOM 481 OE2 GLU A 33 8.365 -12.187 2.853 1.00 0.00 O ATOM 0 H GLU A 33 11.329 -8.674 0.677 1.00 0.00 H new ATOM 0 HA GLU A 33 9.360 -7.159 2.084 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.219 -9.223 2.176 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.137 -9.329 0.686 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.941 -10.579 1.860 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.080 -10.428 3.378 1.00 0.00 H new ATOM 488 N LYS A 34 11.818 -8.144 3.794 1.00 0.00 N ATOM 489 CA LYS A 34 12.399 -8.235 5.118 1.00 0.00 C ATOM 490 C LYS A 34 12.288 -6.892 5.826 1.00 0.00 C ATOM 491 O LYS A 34 12.568 -6.789 7.019 1.00 0.00 O ATOM 492 CB LYS A 34 13.860 -8.665 5.003 1.00 0.00 C ATOM 493 CG LYS A 34 14.001 -10.112 5.468 1.00 0.00 C ATOM 494 CD LYS A 34 15.479 -10.452 5.631 1.00 0.00 C ATOM 495 CE LYS A 34 15.653 -11.968 5.654 1.00 0.00 C ATOM 496 NZ LYS A 34 16.247 -12.412 6.925 1.00 0.00 N ATOM 0 H LYS A 34 12.501 -8.098 3.038 1.00 0.00 H new ATOM 0 HA LYS A 34 11.859 -8.978 5.705 1.00 0.00 H new ATOM 0 HB2 LYS A 34 14.199 -8.568 3.972 1.00 0.00 H new ATOM 0 HB3 LYS A 34 14.491 -8.014 5.608 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.478 -10.254 6.414 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.540 -10.784 4.745 1.00 0.00 H new ATOM 0 HD2 LYS A 34 16.055 -10.022 4.812 1.00 0.00 H new ATOM 0 HD3 LYS A 34 15.864 -10.017 6.554 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.686 -12.451 5.512 1.00 0.00 H new ATOM 0 HE3 LYS A 34 16.288 -12.277 4.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.355 -13.446 6.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 17.180 -11.968 7.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.627 -12.136 7.713 1.00 0.00 H new ATOM 510 N ASN A 35 11.877 -5.860 5.086 1.00 0.00 N ATOM 511 CA ASN A 35 11.730 -4.531 5.645 1.00 0.00 C ATOM 512 C ASN A 35 13.095 -3.972 6.021 1.00 0.00 C ATOM 513 O ASN A 35 13.394 -2.813 5.742 1.00 0.00 O ATOM 514 CB ASN A 35 10.817 -4.593 6.866 1.00 0.00 C ATOM 515 CG ASN A 35 9.939 -3.352 6.953 1.00 0.00 C ATOM 516 OD1 ASN A 35 10.335 -2.278 6.504 1.00 0.00 O ATOM 517 ND2 ASN A 35 8.745 -3.502 7.529 1.00 0.00 N ATOM 0 H ASN A 35 11.641 -5.928 4.096 1.00 0.00 H new ATOM 0 HA ASN A 35 11.282 -3.869 4.904 1.00 0.00 H new ATOM 0 HB2 ASN A 35 10.190 -5.483 6.811 1.00 0.00 H new ATOM 0 HB3 ASN A 35 11.419 -4.682 7.771 1.00 0.00 H new ATOM 0 HD21 ASN A 35 8.115 -2.704 7.612 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.462 -4.415 7.886 1.00 0.00 H new ATOM 524 N ASN A 36 13.925 -4.803 6.656 1.00 0.00 N ATOM 525 CA ASN A 36 15.252 -4.389 7.066 1.00 0.00 C ATOM 526 C ASN A 36 16.202 -4.446 5.878 1.00 0.00 C ATOM 527 O ASN A 36 17.417 -4.519 6.052 1.00 0.00 O ATOM 528 CB ASN A 36 15.740 -5.295 8.193 1.00 0.00 C ATOM 529 CG ASN A 36 15.370 -4.718 9.552 1.00 0.00 C ATOM 530 OD1 ASN A 36 16.229 -4.207 10.266 1.00 0.00 O ATOM 531 ND2 ASN A 36 14.086 -4.800 9.908 1.00 0.00 N ATOM 0 H ASN A 36 13.693 -5.767 6.894 1.00 0.00 H new ATOM 0 HA ASN A 36 15.220 -3.362 7.430 1.00 0.00 H new ATOM 0 HB2 ASN A 36 15.302 -6.287 8.083 1.00 0.00 H new ATOM 0 HB3 ASN A 36 16.821 -5.415 8.126 1.00 0.00 H new ATOM 0 HD21 ASN A 36 13.782 -4.429 10.808 1.00 0.00 H new ATOM 0 HD22 ASN A 36 13.409 -5.234 9.280 1.00 0.00 H new ATOM 538 N GLU A 37 15.645 -4.414 4.666 1.00 0.00 N ATOM 539 CA GLU A 37 16.444 -4.461 3.458 1.00 0.00 C ATOM 540 C GLU A 37 16.137 -3.252 2.585 1.00 0.00 C ATOM 541 O GLU A 37 14.994 -3.045 2.185 1.00 0.00 O ATOM 542 CB GLU A 37 16.154 -5.757 2.707 1.00 0.00 C ATOM 543 CG GLU A 37 17.263 -6.766 2.986 1.00 0.00 C ATOM 544 CD GLU A 37 17.562 -6.848 4.476 1.00 0.00 C ATOM 545 OE1 GLU A 37 16.652 -7.282 5.214 1.00 0.00 O ATOM 546 OE2 GLU A 37 18.696 -6.476 4.848 1.00 0.00 O ATOM 0 H GLU A 37 14.640 -4.355 4.503 1.00 0.00 H new ATOM 0 HA GLU A 37 17.502 -4.435 3.718 1.00 0.00 H new ATOM 0 HB2 GLU A 37 15.192 -6.163 3.019 1.00 0.00 H new ATOM 0 HB3 GLU A 37 16.086 -5.562 1.637 1.00 0.00 H new ATOM 0 HG2 GLU A 37 16.968 -7.748 2.616 1.00 0.00 H new ATOM 0 HG3 GLU A 37 18.165 -6.479 2.445 1.00 0.00 H new ATOM 553 N VAL A 38 17.165 -2.454 2.290 1.00 0.00 N ATOM 554 CA VAL A 38 17.004 -1.271 1.467 1.00 0.00 C ATOM 555 C VAL A 38 17.810 -1.424 0.184 1.00 0.00 C ATOM 556 O VAL A 38 18.604 -2.353 0.054 1.00 0.00 O ATOM 557 CB VAL A 38 17.459 -0.043 2.249 1.00 0.00 C ATOM 558 CG1 VAL A 38 16.546 0.160 3.453 1.00 0.00 C ATOM 559 CG2 VAL A 38 18.894 -0.246 2.726 1.00 0.00 C ATOM 0 H VAL A 38 18.119 -2.613 2.614 1.00 0.00 H new ATOM 0 HA VAL A 38 15.954 -1.147 1.201 1.00 0.00 H new ATOM 0 HB VAL A 38 17.412 0.835 1.605 1.00 0.00 H new ATOM 0 HG11 VAL A 38 16.871 1.037 4.012 1.00 0.00 H new ATOM 0 HG12 VAL A 38 15.521 0.306 3.112 1.00 0.00 H new ATOM 0 HG13 VAL A 38 16.592 -0.718 4.097 1.00 0.00 H new ATOM 0 HG21 VAL A 38 19.219 0.632 3.285 1.00 0.00 H new ATOM 0 HG22 VAL A 38 18.943 -1.125 3.369 1.00 0.00 H new ATOM 0 HG23 VAL A 38 19.547 -0.390 1.865 1.00 0.00 H new ATOM 569 N CYS A 39 17.604 -0.507 -0.764 1.00 0.00 N ATOM 570 CA CYS A 39 18.310 -0.542 -2.030 1.00 0.00 C ATOM 571 C CYS A 39 19.605 0.250 -1.918 1.00 0.00 C ATOM 572 O CYS A 39 19.588 1.424 -1.555 1.00 0.00 O ATOM 573 CB CYS A 39 17.417 0.032 -3.126 1.00 0.00 C ATOM 574 SG CYS A 39 15.645 -0.160 -2.807 1.00 0.00 S ATOM 0 H CYS A 39 16.949 0.269 -0.670 1.00 0.00 H new ATOM 0 HA CYS A 39 18.558 -1.572 -2.286 1.00 0.00 H new ATOM 0 HB2 CYS A 39 17.642 1.092 -3.246 1.00 0.00 H new ATOM 0 HB3 CYS A 39 17.661 -0.454 -4.071 1.00 0.00 H new ATOM 579 N ALA A 40 20.730 -0.396 -2.234 1.00 0.00 N ATOM 580 CA ALA A 40 22.026 0.249 -2.166 1.00 0.00 C ATOM 581 C ALA A 40 22.789 0.008 -3.461 1.00 0.00 C ATOM 582 O ALA A 40 22.911 -1.129 -3.910 1.00 0.00 O ATOM 583 CB ALA A 40 22.803 -0.296 -0.971 1.00 0.00 C ATOM 0 H ALA A 40 20.760 -1.369 -2.540 1.00 0.00 H new ATOM 0 HA ALA A 40 21.896 1.324 -2.038 1.00 0.00 H new ATOM 0 HB1 ALA A 40 23.778 0.189 -0.919 1.00 0.00 H new ATOM 0 HB2 ALA A 40 22.249 -0.095 -0.054 1.00 0.00 H new ATOM 0 HB3 ALA A 40 22.938 -1.372 -1.085 1.00 0.00 H new ATOM 589 N ALA A 41 23.303 1.085 -4.061 1.00 0.00 N ATOM 590 CA ALA A 41 24.049 0.986 -5.300 1.00 0.00 C ATOM 591 C ALA A 41 25.353 1.760 -5.179 1.00 0.00 C ATOM 592 O ALA A 41 25.345 2.950 -4.873 1.00 0.00 O ATOM 593 CB ALA A 41 23.202 1.530 -6.448 1.00 0.00 C ATOM 0 H ALA A 41 23.211 2.035 -3.701 1.00 0.00 H new ATOM 0 HA ALA A 41 24.286 -0.058 -5.504 1.00 0.00 H new ATOM 0 HB1 ALA A 41 23.762 1.456 -7.380 1.00 0.00 H new ATOM 0 HB2 ALA A 41 22.283 0.949 -6.529 1.00 0.00 H new ATOM 0 HB3 ALA A 41 22.955 2.574 -6.255 1.00 0.00 H new ATOM 599 N VAL A 42 26.477 1.080 -5.420 1.00 0.00 N ATOM 600 CA VAL A 42 27.781 1.704 -5.336 1.00 0.00 C ATOM 601 C VAL A 42 28.453 1.679 -6.702 1.00 0.00 C ATOM 602 O VAL A 42 28.667 0.611 -7.271 1.00 0.00 O ATOM 603 CB VAL A 42 28.631 0.970 -4.302 1.00 0.00 C ATOM 604 CG1 VAL A 42 28.632 -0.524 -4.613 1.00 0.00 C ATOM 605 CG2 VAL A 42 30.061 1.500 -4.351 1.00 0.00 C ATOM 0 H VAL A 42 26.500 0.093 -5.675 1.00 0.00 H new ATOM 0 HA VAL A 42 27.672 2.743 -5.025 1.00 0.00 H new ATOM 0 HB VAL A 42 28.216 1.134 -3.308 1.00 0.00 H new ATOM 0 HG11 VAL A 42 29.239 -1.049 -3.875 1.00 0.00 H new ATOM 0 HG12 VAL A 42 27.611 -0.903 -4.579 1.00 0.00 H new ATOM 0 HG13 VAL A 42 29.047 -0.688 -5.607 1.00 0.00 H new ATOM 0 HG21 VAL A 42 30.669 0.976 -3.613 1.00 0.00 H new ATOM 0 HG22 VAL A 42 30.476 1.335 -5.345 1.00 0.00 H new ATOM 0 HG23 VAL A 42 30.061 2.567 -4.130 1.00 0.00 H new ATOM 615 N TRP A 43 28.784 2.860 -7.228 1.00 0.00 N ATOM 616 CA TRP A 43 29.430 2.963 -8.521 1.00 0.00 C ATOM 617 C TRP A 43 30.895 3.334 -8.341 1.00 0.00 C ATOM 618 O TRP A 43 31.210 4.378 -7.774 1.00 0.00 O ATOM 619 CB TRP A 43 28.708 4.009 -9.367 1.00 0.00 C ATOM 620 CG TRP A 43 29.407 4.387 -10.633 1.00 0.00 C ATOM 621 CD1 TRP A 43 29.138 3.878 -11.855 1.00 0.00 C ATOM 622 CD2 TRP A 43 30.490 5.347 -10.831 1.00 0.00 C ATOM 623 NE1 TRP A 43 29.975 4.452 -12.789 1.00 0.00 N ATOM 624 CE2 TRP A 43 30.830 5.367 -12.210 1.00 0.00 C ATOM 625 CE3 TRP A 43 31.220 6.201 -9.985 1.00 0.00 C ATOM 626 CZ2 TRP A 43 31.838 6.189 -12.722 1.00 0.00 C ATOM 627 CZ3 TRP A 43 32.232 7.031 -10.489 1.00 0.00 C ATOM 628 CH2 TRP A 43 32.543 7.026 -11.854 1.00 0.00 C ATOM 0 H TRP A 43 28.611 3.755 -6.771 1.00 0.00 H new ATOM 0 HA TRP A 43 29.381 2.002 -9.033 1.00 0.00 H new ATOM 0 HB2 TRP A 43 27.716 3.632 -9.616 1.00 0.00 H new ATOM 0 HB3 TRP A 43 28.566 4.907 -8.765 1.00 0.00 H new ATOM 0 HD1 TRP A 43 28.383 3.135 -12.068 1.00 0.00 H new ATOM 0 HE1 TRP A 43 29.963 4.228 -13.784 1.00 0.00 H new ATOM 0 HE3 TRP A 43 30.997 6.218 -8.928 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 32.069 6.177 -13.777 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 32.776 7.680 -9.818 1.00 0.00 H new ATOM 0 HH2 TRP A 43 33.325 7.667 -12.234 1.00 0.00 H new ATOM 639 N ARG A 44 31.792 2.473 -8.827 1.00 0.00 N ATOM 640 CA ARG A 44 33.217 2.710 -8.718 1.00 0.00 C ATOM 641 C ARG A 44 33.811 2.928 -10.103 1.00 0.00 C ATOM 642 O ARG A 44 33.285 2.422 -11.092 1.00 0.00 O ATOM 643 CB ARG A 44 33.878 1.521 -8.027 1.00 0.00 C ATOM 644 CG ARG A 44 32.817 0.701 -7.299 1.00 0.00 C ATOM 645 CD ARG A 44 33.479 -0.483 -6.600 1.00 0.00 C ATOM 646 NE ARG A 44 33.655 -1.606 -7.521 1.00 0.00 N ATOM 647 CZ ARG A 44 34.383 -2.688 -7.216 1.00 0.00 C ATOM 648 NH1 ARG A 44 34.987 -2.774 -6.023 1.00 0.00 N ATOM 649 NH2 ARG A 44 34.508 -3.684 -8.104 1.00 0.00 N ATOM 0 H ARG A 44 31.546 1.604 -9.301 1.00 0.00 H new ATOM 0 HA ARG A 44 33.396 3.605 -8.123 1.00 0.00 H new ATOM 0 HB2 ARG A 44 34.392 0.900 -8.761 1.00 0.00 H new ATOM 0 HB3 ARG A 44 34.631 1.870 -7.321 1.00 0.00 H new ATOM 0 HG2 ARG A 44 32.298 1.323 -6.570 1.00 0.00 H new ATOM 0 HG3 ARG A 44 32.067 0.346 -8.007 1.00 0.00 H new ATOM 0 HD2 ARG A 44 34.447 -0.180 -6.202 1.00 0.00 H new ATOM 0 HD3 ARG A 44 32.870 -0.796 -5.752 1.00 0.00 H new ATOM 0 HE ARG A 44 33.204 -1.563 -8.435 1.00 0.00 H new ATOM 0 HH11 ARG A 44 34.892 -2.016 -5.348 1.00 0.00 H new ATOM 0 HH12 ARG A 44 35.542 -3.598 -5.790 1.00 0.00 H new ATOM 0 HH21 ARG A 44 34.049 -3.618 -9.012 1.00 0.00 H new ATOM 0 HH22 ARG A 44 35.063 -4.508 -7.872 1.00 0.00 H new ATOM 663 N ARG A 45 34.911 3.681 -10.170 1.00 0.00 N ATOM 664 CA ARG A 45 35.569 3.962 -11.430 1.00 0.00 C ATOM 665 C ARG A 45 37.079 3.939 -11.239 1.00 0.00 C ATOM 666 O ARG A 45 37.644 4.841 -10.626 1.00 0.00 O ATOM 667 CB ARG A 45 35.112 5.321 -11.950 1.00 0.00 C ATOM 668 CG ARG A 45 35.445 6.398 -10.922 1.00 0.00 C ATOM 669 CD ARG A 45 36.519 7.325 -11.487 1.00 0.00 C ATOM 670 NE ARG A 45 36.217 7.697 -12.869 1.00 0.00 N ATOM 671 CZ ARG A 45 36.423 8.931 -13.350 1.00 0.00 C ATOM 672 NH1 ARG A 45 36.927 9.884 -12.554 1.00 0.00 N ATOM 673 NH2 ARG A 45 36.126 9.212 -14.625 1.00 0.00 N ATOM 0 H ARG A 45 35.360 4.105 -9.358 1.00 0.00 H new ATOM 0 HA ARG A 45 35.303 3.199 -12.162 1.00 0.00 H new ATOM 0 HB2 ARG A 45 35.603 5.543 -12.897 1.00 0.00 H new ATOM 0 HB3 ARG A 45 34.039 5.306 -12.143 1.00 0.00 H new ATOM 0 HG2 ARG A 45 34.550 6.969 -10.674 1.00 0.00 H new ATOM 0 HG3 ARG A 45 35.796 5.938 -9.998 1.00 0.00 H new ATOM 0 HD2 ARG A 45 36.590 8.222 -10.872 1.00 0.00 H new ATOM 0 HD3 ARG A 45 37.490 6.831 -11.443 1.00 0.00 H new ATOM 0 HE ARG A 45 35.833 6.987 -13.493 1.00 0.00 H new ATOM 0 HH11 ARG A 45 37.154 9.670 -11.583 1.00 0.00 H new ATOM 0 HH12 ARG A 45 37.084 10.823 -12.919 1.00 0.00 H new ATOM 0 HH21 ARG A 45 35.743 8.487 -15.231 1.00 0.00 H new ATOM 0 HH22 ARG A 45 36.283 10.151 -14.990 1.00 0.00 H new ATOM 687 N ASN A 46 37.733 2.902 -11.767 1.00 0.00 N ATOM 688 CA ASN A 46 39.172 2.768 -11.653 1.00 0.00 C ATOM 689 C ASN A 46 39.823 2.973 -13.013 1.00 0.00 C ATOM 690 O ASN A 46 39.431 2.344 -13.994 1.00 0.00 O ATOM 691 CB ASN A 46 39.510 1.389 -11.095 1.00 0.00 C ATOM 692 CG ASN A 46 38.860 0.292 -11.927 1.00 0.00 C ATOM 693 OD1 ASN A 46 39.346 -0.042 -13.005 1.00 0.00 O ATOM 694 ND2 ASN A 46 37.760 -0.270 -11.421 1.00 0.00 N ATOM 0 H ASN A 46 37.280 2.145 -12.278 1.00 0.00 H new ATOM 0 HA ASN A 46 39.557 3.527 -10.972 1.00 0.00 H new ATOM 0 HB2 ASN A 46 40.591 1.251 -11.085 1.00 0.00 H new ATOM 0 HB3 ASN A 46 39.170 1.317 -10.062 1.00 0.00 H new ATOM 0 HD21 ASN A 46 37.284 -1.012 -11.934 1.00 0.00 H new ATOM 0 HD22 ASN A 46 37.395 0.043 -10.521 1.00 0.00 H new ATOM 701 N ASP A 47 40.820 3.859 -13.071 1.00 0.00 N ATOM 702 CA ASP A 47 41.518 4.145 -14.307 1.00 0.00 C ATOM 703 C ASP A 47 40.519 4.267 -15.448 1.00 0.00 C ATOM 704 O ASP A 47 39.904 5.316 -15.627 1.00 0.00 O ATOM 705 CB ASP A 47 42.526 3.033 -14.588 1.00 0.00 C ATOM 706 CG ASP A 47 43.953 3.558 -14.501 1.00 0.00 C ATOM 707 OD1 ASP A 47 44.344 4.297 -15.430 1.00 0.00 O ATOM 708 OD2 ASP A 47 44.625 3.210 -13.506 1.00 0.00 O ATOM 0 H ASP A 47 41.157 4.388 -12.267 1.00 0.00 H new ATOM 0 HA ASP A 47 42.053 5.090 -14.217 1.00 0.00 H new ATOM 0 HB2 ASP A 47 42.388 2.222 -13.872 1.00 0.00 H new ATOM 0 HB3 ASP A 47 42.347 2.617 -15.579 1.00 0.00 H new ATOM 713 N GLU A 48 40.355 3.190 -16.219 1.00 0.00 N ATOM 714 CA GLU A 48 39.430 3.185 -17.335 1.00 0.00 C ATOM 715 C GLU A 48 38.441 2.038 -17.186 1.00 0.00 C ATOM 716 O GLU A 48 37.822 1.615 -18.159 1.00 0.00 O ATOM 717 CB GLU A 48 40.212 3.060 -18.640 1.00 0.00 C ATOM 718 CG GLU A 48 39.369 3.602 -19.792 1.00 0.00 C ATOM 719 CD GLU A 48 40.256 4.134 -20.909 1.00 0.00 C ATOM 720 OE1 GLU A 48 40.704 5.293 -20.775 1.00 0.00 O ATOM 721 OE2 GLU A 48 40.468 3.372 -21.876 1.00 0.00 O ATOM 0 H GLU A 48 40.856 2.312 -16.084 1.00 0.00 H new ATOM 0 HA GLU A 48 38.868 4.119 -17.349 1.00 0.00 H new ATOM 0 HB2 GLU A 48 41.149 3.613 -18.569 1.00 0.00 H new ATOM 0 HB3 GLU A 48 40.470 2.017 -18.823 1.00 0.00 H new ATOM 0 HG2 GLU A 48 38.724 2.813 -20.179 1.00 0.00 H new ATOM 0 HG3 GLU A 48 38.718 4.397 -19.429 1.00 0.00 H new ATOM 728 N ASN A 49 38.294 1.534 -15.958 1.00 0.00 N ATOM 729 CA ASN A 49 37.381 0.442 -15.687 1.00 0.00 C ATOM 730 C ASN A 49 36.406 0.840 -14.588 1.00 0.00 C ATOM 731 O ASN A 49 36.740 0.784 -13.406 1.00 0.00 O ATOM 732 CB ASN A 49 38.178 -0.795 -15.280 1.00 0.00 C ATOM 733 CG ASN A 49 38.037 -1.898 -16.318 1.00 0.00 C ATOM 734 OD1 ASN A 49 38.285 -1.676 -17.501 1.00 0.00 O ATOM 735 ND2 ASN A 49 37.638 -3.092 -15.873 1.00 0.00 N ATOM 0 H ASN A 49 38.801 1.872 -15.140 1.00 0.00 H new ATOM 0 HA ASN A 49 36.808 0.212 -16.585 1.00 0.00 H new ATOM 0 HB2 ASN A 49 39.229 -0.533 -15.163 1.00 0.00 H new ATOM 0 HB3 ASN A 49 37.830 -1.155 -14.312 1.00 0.00 H new ATOM 0 HD21 ASN A 49 37.527 -3.868 -16.525 1.00 0.00 H new ATOM 0 HD22 ASN A 49 37.444 -3.228 -14.881 1.00 0.00 H new ATOM 742 N VAL A 50 35.196 1.244 -14.983 1.00 0.00 N ATOM 743 CA VAL A 50 34.179 1.649 -14.034 1.00 0.00 C ATOM 744 C VAL A 50 33.200 0.506 -13.810 1.00 0.00 C ATOM 745 O VAL A 50 32.611 -0.007 -14.759 1.00 0.00 O ATOM 746 CB VAL A 50 33.456 2.885 -14.562 1.00 0.00 C ATOM 747 CG1 VAL A 50 32.427 3.350 -13.536 1.00 0.00 C ATOM 748 CG2 VAL A 50 34.468 3.999 -14.809 1.00 0.00 C ATOM 0 H VAL A 50 34.905 1.296 -15.959 1.00 0.00 H new ATOM 0 HA VAL A 50 34.643 1.896 -13.079 1.00 0.00 H new ATOM 0 HB VAL A 50 32.951 2.639 -15.496 1.00 0.00 H new ATOM 0 HG11 VAL A 50 31.911 4.233 -13.913 1.00 0.00 H new ATOM 0 HG12 VAL A 50 31.704 2.554 -13.360 1.00 0.00 H new ATOM 0 HG13 VAL A 50 32.931 3.596 -12.601 1.00 0.00 H new ATOM 0 HG21 VAL A 50 33.952 4.882 -15.186 1.00 0.00 H new ATOM 0 HG22 VAL A 50 34.973 4.245 -13.875 1.00 0.00 H new ATOM 0 HG23 VAL A 50 35.203 3.667 -15.543 1.00 0.00 H new ATOM 758 N THR A 51 33.025 0.107 -12.547 1.00 0.00 N ATOM 759 CA THR A 51 32.118 -0.972 -12.209 1.00 0.00 C ATOM 760 C THR A 51 31.016 -0.455 -11.295 1.00 0.00 C ATOM 761 O THR A 51 31.273 0.341 -10.394 1.00 0.00 O ATOM 762 CB THR A 51 32.897 -2.097 -11.534 1.00 0.00 C ATOM 763 OG1 THR A 51 32.902 -1.894 -10.139 1.00 0.00 O ATOM 764 CG2 THR A 51 34.332 -2.104 -12.052 1.00 0.00 C ATOM 0 H THR A 51 33.504 0.521 -11.747 1.00 0.00 H new ATOM 0 HA THR A 51 31.656 -1.361 -13.116 1.00 0.00 H new ATOM 0 HB THR A 51 32.424 -3.053 -11.760 1.00 0.00 H new ATOM 0 HG1 THR A 51 33.022 -0.940 -9.948 1.00 0.00 H new ATOM 0 HG21 THR A 51 34.889 -2.908 -11.570 1.00 0.00 H new ATOM 0 HG22 THR A 51 34.329 -2.261 -13.131 1.00 0.00 H new ATOM 0 HG23 THR A 51 34.805 -1.148 -11.826 1.00 0.00 H new ATOM 772 N LEU A 52 29.784 -0.913 -11.528 1.00 0.00 N ATOM 773 CA LEU A 52 28.650 -0.498 -10.728 1.00 0.00 C ATOM 774 C LEU A 52 28.000 -1.714 -10.084 1.00 0.00 C ATOM 775 O LEU A 52 27.763 -2.721 -10.748 1.00 0.00 O ATOM 776 CB LEU A 52 27.650 0.244 -11.610 1.00 0.00 C ATOM 777 CG LEU A 52 26.761 1.127 -10.739 1.00 0.00 C ATOM 778 CD1 LEU A 52 25.784 1.897 -11.623 1.00 0.00 C ATOM 779 CD2 LEU A 52 25.981 0.255 -9.758 1.00 0.00 C ATOM 0 H LEU A 52 29.555 -1.574 -12.270 1.00 0.00 H new ATOM 0 HA LEU A 52 28.985 0.173 -9.937 1.00 0.00 H new ATOM 0 HB2 LEU A 52 28.178 0.853 -12.344 1.00 0.00 H new ATOM 0 HB3 LEU A 52 27.040 -0.468 -12.166 1.00 0.00 H new ATOM 0 HG LEU A 52 27.382 1.831 -10.185 1.00 0.00 H new ATOM 0 HD11 LEU A 52 25.149 2.528 -11.000 1.00 0.00 H new ATOM 0 HD12 LEU A 52 26.340 2.521 -12.323 1.00 0.00 H new ATOM 0 HD13 LEU A 52 25.164 1.193 -12.178 1.00 0.00 H new ATOM 0 HD21 LEU A 52 25.346 0.886 -9.136 1.00 0.00 H new ATOM 0 HD22 LEU A 52 25.361 -0.450 -10.312 1.00 0.00 H new ATOM 0 HD23 LEU A 52 26.678 -0.294 -9.125 1.00 0.00 H new ATOM 791 N GLU A 53 27.712 -1.619 -8.783 1.00 0.00 N ATOM 792 CA GLU A 53 27.091 -2.709 -8.058 1.00 0.00 C ATOM 793 C GLU A 53 25.758 -2.256 -7.479 1.00 0.00 C ATOM 794 O GLU A 53 25.656 -1.165 -6.923 1.00 0.00 O ATOM 795 CB GLU A 53 28.028 -3.183 -6.952 1.00 0.00 C ATOM 796 CG GLU A 53 27.817 -4.674 -6.708 1.00 0.00 C ATOM 797 CD GLU A 53 26.718 -4.906 -5.682 1.00 0.00 C ATOM 798 OE1 GLU A 53 26.486 -3.977 -4.878 1.00 0.00 O ATOM 799 OE2 GLU A 53 26.129 -6.008 -5.720 1.00 0.00 O ATOM 0 H GLU A 53 27.903 -0.792 -8.217 1.00 0.00 H new ATOM 0 HA GLU A 53 26.903 -3.540 -8.738 1.00 0.00 H new ATOM 0 HB2 GLU A 53 29.064 -2.993 -7.233 1.00 0.00 H new ATOM 0 HB3 GLU A 53 27.838 -2.624 -6.036 1.00 0.00 H new ATOM 0 HG2 GLU A 53 27.555 -5.166 -7.645 1.00 0.00 H new ATOM 0 HG3 GLU A 53 28.746 -5.125 -6.360 1.00 0.00 H new ATOM 806 N THR A 54 24.732 -3.101 -7.610 1.00 0.00 N ATOM 807 CA THR A 54 23.414 -2.782 -7.098 1.00 0.00 C ATOM 808 C THR A 54 22.809 -4.007 -6.426 1.00 0.00 C ATOM 809 O THR A 54 22.754 -5.082 -7.019 1.00 0.00 O ATOM 810 CB THR A 54 22.527 -2.301 -8.243 1.00 0.00 C ATOM 811 OG1 THR A 54 23.205 -1.305 -8.975 1.00 0.00 O ATOM 812 CG2 THR A 54 21.234 -1.723 -7.676 1.00 0.00 C ATOM 0 H THR A 54 24.798 -4.010 -8.068 1.00 0.00 H new ATOM 0 HA THR A 54 23.492 -1.987 -6.356 1.00 0.00 H new ATOM 0 HB THR A 54 22.293 -3.139 -8.899 1.00 0.00 H new ATOM 0 HG1 THR A 54 23.405 -1.639 -9.874 1.00 0.00 H new ATOM 0 HG21 THR A 54 20.600 -1.379 -8.493 1.00 0.00 H new ATOM 0 HG22 THR A 54 20.710 -2.492 -7.109 1.00 0.00 H new ATOM 0 HG23 THR A 54 21.467 -0.884 -7.020 1.00 0.00 H new ATOM 820 N ILE A 55 22.355 -3.841 -5.182 1.00 0.00 N ATOM 821 CA ILE A 55 21.754 -4.927 -4.434 1.00 0.00 C ATOM 822 C ILE A 55 21.112 -4.384 -3.165 1.00 0.00 C ATOM 823 O ILE A 55 21.385 -3.255 -2.763 1.00 0.00 O ATOM 824 CB ILE A 55 22.823 -5.964 -4.099 1.00 0.00 C ATOM 825 CG1 ILE A 55 24.182 -5.279 -3.989 1.00 0.00 C ATOM 826 CG2 ILE A 55 22.872 -7.017 -5.202 1.00 0.00 C ATOM 827 CD1 ILE A 55 24.127 -4.212 -2.898 1.00 0.00 C ATOM 0 H ILE A 55 22.397 -2.956 -4.676 1.00 0.00 H new ATOM 0 HA ILE A 55 20.979 -5.404 -5.034 1.00 0.00 H new ATOM 0 HB ILE A 55 22.580 -6.442 -3.150 1.00 0.00 H new ATOM 0 HG12 ILE A 55 24.953 -6.013 -3.756 1.00 0.00 H new ATOM 0 HG13 ILE A 55 24.451 -4.825 -4.943 1.00 0.00 H new ATOM 0 HG21 ILE A 55 23.635 -7.758 -4.964 1.00 0.00 H new ATOM 0 HG22 ILE A 55 21.902 -7.507 -5.280 1.00 0.00 H new ATOM 0 HG23 ILE A 55 23.114 -6.539 -6.151 1.00 0.00 H new ATOM 0 HD11 ILE A 55 25.098 -3.722 -2.819 1.00 0.00 H new ATOM 0 HD12 ILE A 55 23.367 -3.473 -3.150 1.00 0.00 H new ATOM 0 HD13 ILE A 55 23.877 -4.679 -1.945 1.00 0.00 H new ATOM 839 N CYS A 56 20.257 -5.193 -2.533 1.00 0.00 N ATOM 840 CA CYS A 56 19.581 -4.791 -1.316 1.00 0.00 C ATOM 841 C CYS A 56 20.487 -5.040 -0.119 1.00 0.00 C ATOM 842 O CYS A 56 20.447 -6.112 0.482 1.00 0.00 O ATOM 843 CB CYS A 56 18.275 -5.570 -1.179 1.00 0.00 C ATOM 844 SG CYS A 56 16.901 -4.592 -0.522 1.00 0.00 S ATOM 0 H CYS A 56 20.022 -6.133 -2.853 1.00 0.00 H new ATOM 0 HA CYS A 56 19.350 -3.727 -1.357 1.00 0.00 H new ATOM 0 HB2 CYS A 56 17.994 -5.963 -2.156 1.00 0.00 H new ATOM 0 HB3 CYS A 56 18.442 -6.427 -0.527 1.00 0.00 H new ATOM 849 N HIS A 57 21.307 -4.045 0.229 1.00 0.00 N ATOM 850 CA HIS A 57 22.217 -4.166 1.350 1.00 0.00 C ATOM 851 C HIS A 57 21.864 -3.141 2.418 1.00 0.00 C ATOM 852 O HIS A 57 21.413 -2.043 2.104 1.00 0.00 O ATOM 853 CB HIS A 57 23.650 -3.967 0.864 1.00 0.00 C ATOM 854 CG HIS A 57 24.615 -3.714 1.989 1.00 0.00 C ATOM 855 ND1 HIS A 57 25.266 -4.674 2.731 1.00 0.00 N ATOM 856 CD2 HIS A 57 25.002 -2.488 2.460 1.00 0.00 C ATOM 857 CE1 HIS A 57 26.032 -4.031 3.632 1.00 0.00 C ATOM 858 NE2 HIS A 57 25.906 -2.699 3.506 1.00 0.00 N ATOM 0 H HIS A 57 21.353 -3.149 -0.256 1.00 0.00 H new ATOM 0 HA HIS A 57 22.129 -5.160 1.787 1.00 0.00 H new ATOM 0 HB2 HIS A 57 23.967 -4.851 0.310 1.00 0.00 H new ATOM 0 HB3 HIS A 57 23.680 -3.128 0.169 1.00 0.00 H new ATOM 0 HD2 HIS A 57 24.669 -1.530 2.090 1.00 0.00 H new ATOM 0 HE1 HIS A 57 26.663 -4.520 4.359 1.00 0.00 H new ATOM 0 HE2 HIS A 57 26.376 -1.985 4.062 1.00 0.00 H new ATOM 866 N ASP A 58 22.071 -3.505 3.687 1.00 0.00 N ATOM 867 CA ASP A 58 21.773 -2.619 4.794 1.00 0.00 C ATOM 868 C ASP A 58 22.897 -1.607 4.960 1.00 0.00 C ATOM 869 O ASP A 58 24.070 -1.973 4.958 1.00 0.00 O ATOM 870 CB ASP A 58 21.593 -3.440 6.067 1.00 0.00 C ATOM 871 CG ASP A 58 20.123 -3.751 6.310 1.00 0.00 C ATOM 872 OD1 ASP A 58 19.307 -2.826 6.109 1.00 0.00 O ATOM 873 OD2 ASP A 58 19.842 -4.908 6.693 1.00 0.00 O ATOM 0 H ASP A 58 22.445 -4.412 3.964 1.00 0.00 H new ATOM 0 HA ASP A 58 20.849 -2.077 4.593 1.00 0.00 H new ATOM 0 HB2 ASP A 58 22.157 -4.369 5.988 1.00 0.00 H new ATOM 0 HB3 ASP A 58 21.998 -2.893 6.918 1.00 0.00 H new ATOM 878 N PRO A 59 22.536 -0.330 5.103 1.00 0.00 N ATOM 879 CA PRO A 59 23.466 0.766 5.274 1.00 0.00 C ATOM 880 C PRO A 59 24.074 0.708 6.668 1.00 0.00 C ATOM 881 O PRO A 59 24.361 1.743 7.266 1.00 0.00 O ATOM 882 CB PRO A 59 22.621 2.027 5.097 1.00 0.00 C ATOM 883 CG PRO A 59 21.246 1.584 5.590 1.00 0.00 C ATOM 884 CD PRO A 59 21.167 0.137 5.110 1.00 0.00 C ATOM 0 HA PRO A 59 24.293 0.735 4.565 1.00 0.00 H new ATOM 0 HB2 PRO A 59 23.011 2.861 5.681 1.00 0.00 H new ATOM 0 HB3 PRO A 59 22.592 2.352 4.057 1.00 0.00 H new ATOM 0 HG2 PRO A 59 21.162 1.656 6.674 1.00 0.00 H new ATOM 0 HG3 PRO A 59 20.448 2.195 5.167 1.00 0.00 H new ATOM 0 HD2 PRO A 59 20.548 -0.466 5.774 1.00 0.00 H new ATOM 0 HD3 PRO A 59 20.723 0.074 4.116 1.00 0.00 H new ATOM 892 N GLN A 60 24.269 -0.507 7.185 1.00 0.00 N ATOM 893 CA GLN A 60 24.839 -0.693 8.504 1.00 0.00 C ATOM 894 C GLN A 60 26.313 -1.050 8.384 1.00 0.00 C ATOM 895 O GLN A 60 27.151 -0.485 9.085 1.00 0.00 O ATOM 896 CB GLN A 60 24.074 -1.792 9.236 1.00 0.00 C ATOM 897 CG GLN A 60 24.156 -1.555 10.741 1.00 0.00 C ATOM 898 CD GLN A 60 22.781 -1.660 11.384 1.00 0.00 C ATOM 899 OE1 GLN A 60 22.082 -2.655 11.203 1.00 0.00 O ATOM 900 NE2 GLN A 60 22.391 -0.627 12.135 1.00 0.00 N ATOM 0 H GLN A 60 24.037 -1.374 6.701 1.00 0.00 H new ATOM 0 HA GLN A 60 24.756 0.232 9.074 1.00 0.00 H new ATOM 0 HB2 GLN A 60 23.032 -1.800 8.915 1.00 0.00 H new ATOM 0 HB3 GLN A 60 24.492 -2.768 8.988 1.00 0.00 H new ATOM 0 HG2 GLN A 60 24.829 -2.284 11.192 1.00 0.00 H new ATOM 0 HG3 GLN A 60 24.578 -0.569 10.935 1.00 0.00 H new ATOM 0 HE21 GLN A 60 23.007 0.177 12.256 1.00 0.00 H new ATOM 0 HE22 GLN A 60 21.477 -0.642 12.588 1.00 0.00 H new ATOM 909 N LYS A 61 26.630 -1.993 7.494 1.00 0.00 N ATOM 910 CA LYS A 61 28.000 -2.419 7.288 1.00 0.00 C ATOM 911 C LYS A 61 28.691 -1.486 6.304 1.00 0.00 C ATOM 912 O LYS A 61 28.040 -0.886 5.451 1.00 0.00 O ATOM 913 CB LYS A 61 28.012 -3.854 6.770 1.00 0.00 C ATOM 914 CG LYS A 61 27.149 -4.729 7.675 1.00 0.00 C ATOM 915 CD LYS A 61 27.176 -6.168 7.168 1.00 0.00 C ATOM 916 CE LYS A 61 28.321 -6.923 7.838 1.00 0.00 C ATOM 917 NZ LYS A 61 28.577 -8.203 7.159 1.00 0.00 N ATOM 0 H LYS A 61 25.948 -2.473 6.907 1.00 0.00 H new ATOM 0 HA LYS A 61 28.541 -2.381 8.233 1.00 0.00 H new ATOM 0 HB2 LYS A 61 27.635 -3.886 5.748 1.00 0.00 H new ATOM 0 HB3 LYS A 61 29.033 -4.234 6.745 1.00 0.00 H new ATOM 0 HG2 LYS A 61 27.518 -4.686 8.700 1.00 0.00 H new ATOM 0 HG3 LYS A 61 26.125 -4.356 7.690 1.00 0.00 H new ATOM 0 HD2 LYS A 61 26.227 -6.659 7.384 1.00 0.00 H new ATOM 0 HD3 LYS A 61 27.302 -6.181 6.085 1.00 0.00 H new ATOM 0 HE2 LYS A 61 29.223 -6.312 7.822 1.00 0.00 H new ATOM 0 HE3 LYS A 61 28.078 -7.105 8.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 29.360 -8.697 7.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 27.721 -8.793 7.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 28.831 -8.025 6.166 1.00 0.00 H new ATOM 931 N ARG A 62 30.014 -1.363 6.427 1.00 0.00 N ATOM 932 CA ARG A 62 30.787 -0.503 5.552 1.00 0.00 C ATOM 933 C ARG A 62 31.249 -1.290 4.334 1.00 0.00 C ATOM 934 O ARG A 62 32.155 -2.114 4.431 1.00 0.00 O ATOM 935 CB ARG A 62 31.982 0.057 6.319 1.00 0.00 C ATOM 936 CG ARG A 62 32.384 -0.919 7.420 1.00 0.00 C ATOM 937 CD ARG A 62 31.373 -0.845 8.560 1.00 0.00 C ATOM 938 NE ARG A 62 32.015 -0.423 9.804 1.00 0.00 N ATOM 939 CZ ARG A 62 31.387 -0.442 10.988 1.00 0.00 C ATOM 940 NH1 ARG A 62 30.118 -0.863 11.066 1.00 0.00 N ATOM 941 NH2 ARG A 62 32.029 -0.040 12.094 1.00 0.00 N ATOM 0 H ARG A 62 30.567 -1.854 7.130 1.00 0.00 H new ATOM 0 HA ARG A 62 30.169 0.327 5.211 1.00 0.00 H new ATOM 0 HB2 ARG A 62 32.819 0.220 5.640 1.00 0.00 H new ATOM 0 HB3 ARG A 62 31.729 1.025 6.751 1.00 0.00 H new ATOM 0 HG2 ARG A 62 32.427 -1.933 7.023 1.00 0.00 H new ATOM 0 HG3 ARG A 62 33.381 -0.678 7.788 1.00 0.00 H new ATOM 0 HD2 ARG A 62 30.578 -0.145 8.301 1.00 0.00 H new ATOM 0 HD3 ARG A 62 30.906 -1.820 8.700 1.00 0.00 H new ATOM 0 HE ARG A 62 32.982 -0.100 9.769 1.00 0.00 H new ATOM 0 HH11 ARG A 62 29.630 -1.169 10.224 1.00 0.00 H new ATOM 0 HH12 ARG A 62 29.640 -0.878 11.967 1.00 0.00 H new ATOM 0 HH21 ARG A 62 32.996 0.280 12.035 1.00 0.00 H new ATOM 0 HH22 ARG A 62 31.551 -0.055 12.995 1.00 0.00 H new ATOM 955 N LEU A 63 30.622 -1.033 3.183 1.00 0.00 N ATOM 956 CA LEU A 63 30.970 -1.716 1.954 1.00 0.00 C ATOM 957 C LEU A 63 32.183 -1.049 1.319 1.00 0.00 C ATOM 958 O LEU A 63 32.257 0.176 1.251 1.00 0.00 O ATOM 959 CB LEU A 63 29.777 -1.686 1.001 1.00 0.00 C ATOM 960 CG LEU A 63 30.183 -2.292 -0.340 1.00 0.00 C ATOM 961 CD1 LEU A 63 29.943 -3.798 -0.311 1.00 0.00 C ATOM 962 CD2 LEU A 63 29.350 -1.664 -1.454 1.00 0.00 C ATOM 0 H LEU A 63 29.869 -0.352 3.086 1.00 0.00 H new ATOM 0 HA LEU A 63 31.221 -2.755 2.169 1.00 0.00 H new ATOM 0 HB2 LEU A 63 28.943 -2.244 1.427 1.00 0.00 H new ATOM 0 HB3 LEU A 63 29.436 -0.660 0.861 1.00 0.00 H new ATOM 0 HG LEU A 63 31.240 -2.097 -0.523 1.00 0.00 H new ATOM 0 HD11 LEU A 63 30.233 -4.231 -1.268 1.00 0.00 H new ATOM 0 HD12 LEU A 63 30.538 -4.246 0.485 1.00 0.00 H new ATOM 0 HD13 LEU A 63 28.886 -3.995 -0.129 1.00 0.00 H new ATOM 0 HD21 LEU A 63 29.639 -2.096 -2.412 1.00 0.00 H new ATOM 0 HD22 LEU A 63 28.293 -1.859 -1.272 1.00 0.00 H new ATOM 0 HD23 LEU A 63 29.522 -0.588 -1.474 1.00 0.00 H new ATOM 974 N TYR A 64 33.135 -1.861 0.852 1.00 0.00 N ATOM 975 CA TYR A 64 34.337 -1.346 0.229 1.00 0.00 C ATOM 976 C TYR A 64 34.970 -0.288 1.121 1.00 0.00 C ATOM 977 O TYR A 64 35.699 0.578 0.641 1.00 0.00 O ATOM 978 CB TYR A 64 33.989 -0.764 -1.139 1.00 0.00 C ATOM 979 CG TYR A 64 33.215 -1.715 -2.020 1.00 0.00 C ATOM 980 CD1 TYR A 64 33.722 -2.992 -2.288 1.00 0.00 C ATOM 981 CD2 TYR A 64 31.989 -1.320 -2.568 1.00 0.00 C ATOM 982 CE1 TYR A 64 33.004 -3.874 -3.106 1.00 0.00 C ATOM 983 CE2 TYR A 64 31.271 -2.201 -3.385 1.00 0.00 C ATOM 984 CZ TYR A 64 31.778 -3.478 -3.653 1.00 0.00 C ATOM 985 OH TYR A 64 31.078 -4.336 -4.450 1.00 0.00 O ATOM 0 H TYR A 64 33.088 -2.879 0.898 1.00 0.00 H new ATOM 0 HA TYR A 64 35.056 -2.154 0.094 1.00 0.00 H new ATOM 0 HB2 TYR A 64 33.405 0.146 -1.000 1.00 0.00 H new ATOM 0 HB3 TYR A 64 34.909 -0.478 -1.648 1.00 0.00 H new ATOM 0 HD1 TYR A 64 34.667 -3.297 -1.864 1.00 0.00 H new ATOM 0 HD2 TYR A 64 31.597 -0.335 -2.360 1.00 0.00 H new ATOM 0 HE1 TYR A 64 33.396 -4.859 -3.314 1.00 0.00 H new ATOM 0 HE2 TYR A 64 30.326 -1.896 -3.809 1.00 0.00 H new ATOM 0 HH TYR A 64 30.249 -3.905 -4.746 1.00 0.00 H new ATOM 995 N GLY A 65 34.689 -0.359 2.424 1.00 0.00 N ATOM 996 CA GLY A 65 35.232 0.593 3.371 1.00 0.00 C ATOM 997 C GLY A 65 34.462 1.904 3.304 1.00 0.00 C ATOM 998 O GLY A 65 34.964 2.947 3.717 1.00 0.00 O ATOM 0 H GLY A 65 34.087 -1.070 2.839 1.00 0.00 H new ATOM 0 HA2 GLY A 65 35.179 0.183 4.380 1.00 0.00 H new ATOM 0 HA3 GLY A 65 36.285 0.771 3.155 1.00 0.00 H new ATOM 1002 N HIS A 66 33.235 1.848 2.778 1.00 0.00 N ATOM 1003 CA HIS A 66 32.405 3.030 2.656 1.00 0.00 C ATOM 1004 C HIS A 66 31.077 2.805 3.364 1.00 0.00 C ATOM 1005 O HIS A 66 30.537 1.702 3.346 1.00 0.00 O ATOM 1006 CB HIS A 66 32.184 3.344 1.179 1.00 0.00 C ATOM 1007 CG HIS A 66 33.463 3.349 0.389 1.00 0.00 C ATOM 1008 ND1 HIS A 66 34.737 3.431 0.907 1.00 0.00 N ATOM 1009 CD2 HIS A 66 33.571 3.274 -0.973 1.00 0.00 C ATOM 1010 CE1 HIS A 66 35.592 3.404 -0.131 1.00 0.00 C ATOM 1011 NE2 HIS A 66 34.931 3.310 -1.297 1.00 0.00 N ATOM 0 H HIS A 66 32.802 0.992 2.432 1.00 0.00 H new ATOM 0 HA HIS A 66 32.903 3.879 3.125 1.00 0.00 H new ATOM 0 HB2 HIS A 66 31.502 2.608 0.753 1.00 0.00 H new ATOM 0 HB3 HIS A 66 31.701 4.317 1.087 1.00 0.00 H new ATOM 0 HD1 HIS A 66 34.986 3.499 1.894 1.00 0.00 H new ATOM 0 HD2 HIS A 66 32.752 3.200 -1.673 1.00 0.00 H new ATOM 0 HE1 HIS A 66 36.667 3.452 -0.039 1.00 0.00 H new ATOM 1019 N MET A 67 30.548 3.859 3.991 1.00 0.00 N ATOM 1020 CA MET A 67 29.289 3.772 4.702 1.00 0.00 C ATOM 1021 C MET A 67 28.294 4.766 4.118 1.00 0.00 C ATOM 1022 O MET A 67 28.587 5.954 4.014 1.00 0.00 O ATOM 1023 CB MET A 67 29.522 4.051 6.184 1.00 0.00 C ATOM 1024 CG MET A 67 30.308 2.897 6.801 1.00 0.00 C ATOM 1025 SD MET A 67 31.895 3.389 7.518 1.00 0.00 S ATOM 1026 CE MET A 67 31.455 3.316 9.272 1.00 0.00 C ATOM 0 H MET A 67 30.981 4.782 4.015 1.00 0.00 H new ATOM 0 HA MET A 67 28.876 2.769 4.594 1.00 0.00 H new ATOM 0 HB2 MET A 67 30.070 4.985 6.308 1.00 0.00 H new ATOM 0 HB3 MET A 67 28.568 4.171 6.697 1.00 0.00 H new ATOM 0 HG2 MET A 67 29.700 2.430 7.576 1.00 0.00 H new ATOM 0 HG3 MET A 67 30.485 2.141 6.036 1.00 0.00 H new ATOM 0 HE1 MET A 67 32.320 3.591 9.876 1.00 0.00 H new ATOM 0 HE2 MET A 67 30.638 4.009 9.471 1.00 0.00 H new ATOM 0 HE3 MET A 67 31.142 2.303 9.527 1.00 0.00 H new ATOM 1036 N LEU A 68 27.113 4.272 3.736 1.00 0.00 N ATOM 1037 CA LEU A 68 26.081 5.114 3.166 1.00 0.00 C ATOM 1038 C LEU A 68 25.548 6.068 4.226 1.00 0.00 C ATOM 1039 O LEU A 68 25.610 5.774 5.417 1.00 0.00 O ATOM 1040 CB LEU A 68 24.959 4.239 2.614 1.00 0.00 C ATOM 1041 CG LEU A 68 25.559 3.027 1.909 1.00 0.00 C ATOM 1042 CD1 LEU A 68 24.761 1.778 2.273 1.00 0.00 C ATOM 1043 CD2 LEU A 68 25.510 3.241 0.399 1.00 0.00 C ATOM 0 H LEU A 68 26.856 3.288 3.815 1.00 0.00 H new ATOM 0 HA LEU A 68 26.499 5.705 2.351 1.00 0.00 H new ATOM 0 HB2 LEU A 68 24.304 3.915 3.423 1.00 0.00 H new ATOM 0 HB3 LEU A 68 24.346 4.811 1.918 1.00 0.00 H new ATOM 0 HG LEU A 68 26.595 2.900 2.224 1.00 0.00 H new ATOM 0 HD11 LEU A 68 25.190 0.912 1.769 1.00 0.00 H new ATOM 0 HD12 LEU A 68 24.797 1.625 3.352 1.00 0.00 H new ATOM 0 HD13 LEU A 68 23.725 1.904 1.959 1.00 0.00 H new ATOM 0 HD21 LEU A 68 25.939 2.375 -0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 68 24.475 3.369 0.083 1.00 0.00 H new ATOM 0 HD23 LEU A 68 26.082 4.132 0.139 1.00 0.00 H new ATOM 1055 N ASP A 69 25.024 7.216 3.787 1.00 0.00 N ATOM 1056 CA ASP A 69 24.485 8.206 4.698 1.00 0.00 C ATOM 1057 C ASP A 69 23.281 8.886 4.063 1.00 0.00 C ATOM 1058 O ASP A 69 23.237 10.110 3.968 1.00 0.00 O ATOM 1059 CB ASP A 69 25.568 9.226 5.036 1.00 0.00 C ATOM 1060 CG ASP A 69 26.291 8.847 6.320 1.00 0.00 C ATOM 1061 OD1 ASP A 69 27.209 8.004 6.227 1.00 0.00 O ATOM 1062 OD2 ASP A 69 25.912 9.406 7.373 1.00 0.00 O ATOM 0 H ASP A 69 24.966 7.475 2.802 1.00 0.00 H new ATOM 0 HA ASP A 69 24.160 7.723 5.619 1.00 0.00 H new ATOM 0 HB2 ASP A 69 26.283 9.288 4.216 1.00 0.00 H new ATOM 0 HB3 ASP A 69 25.121 10.214 5.144 1.00 0.00 H new ATOM 1067 N ASP A 70 22.302 8.089 3.630 1.00 0.00 N ATOM 1068 CA ASP A 70 21.104 8.618 3.007 1.00 0.00 C ATOM 1069 C ASP A 70 20.210 7.472 2.555 1.00 0.00 C ATOM 1070 O ASP A 70 19.762 7.448 1.412 1.00 0.00 O ATOM 1071 CB ASP A 70 21.495 9.499 1.824 1.00 0.00 C ATOM 1072 CG ASP A 70 20.697 10.795 1.825 1.00 0.00 C ATOM 1073 OD1 ASP A 70 20.630 11.420 2.906 1.00 0.00 O ATOM 1074 OD2 ASP A 70 20.167 11.137 0.745 1.00 0.00 O ATOM 0 H ASP A 70 22.323 7.072 3.703 1.00 0.00 H new ATOM 0 HA ASP A 70 20.550 9.222 3.726 1.00 0.00 H new ATOM 0 HB2 ASP A 70 22.561 9.723 1.869 1.00 0.00 H new ATOM 0 HB3 ASP A 70 21.322 8.961 0.892 1.00 0.00 H new ATOM 1079 N SER A 71 19.953 6.522 3.456 1.00 0.00 N ATOM 1080 CA SER A 71 19.115 5.382 3.144 1.00 0.00 C ATOM 1081 C SER A 71 17.655 5.728 3.403 1.00 0.00 C ATOM 1082 O SER A 71 16.757 5.048 2.913 1.00 0.00 O ATOM 1083 CB SER A 71 19.546 4.188 3.992 1.00 0.00 C ATOM 1084 OG SER A 71 19.296 4.463 5.351 1.00 0.00 O ATOM 0 H SER A 71 20.318 6.527 4.408 1.00 0.00 H new ATOM 0 HA SER A 71 19.225 5.122 2.091 1.00 0.00 H new ATOM 0 HB2 SER A 71 19.002 3.295 3.685 1.00 0.00 H new ATOM 0 HB3 SER A 71 20.606 3.984 3.840 1.00 0.00 H new ATOM 0 HG SER A 71 18.949 3.658 5.789 1.00 0.00 H new ATOM 1090 N SER A 72 17.421 6.790 4.177 1.00 0.00 N ATOM 1091 CA SER A 72 16.075 7.222 4.495 1.00 0.00 C ATOM 1092 C SER A 72 15.630 8.295 3.510 1.00 0.00 C ATOM 1093 O SER A 72 14.486 8.740 3.549 1.00 0.00 O ATOM 1094 CB SER A 72 16.035 7.750 5.925 1.00 0.00 C ATOM 1095 OG SER A 72 14.887 8.549 6.100 1.00 0.00 O ATOM 0 H SER A 72 18.155 7.363 4.593 1.00 0.00 H new ATOM 0 HA SER A 72 15.390 6.378 4.415 1.00 0.00 H new ATOM 0 HB2 SER A 72 16.024 6.919 6.630 1.00 0.00 H new ATOM 0 HB3 SER A 72 16.932 8.333 6.134 1.00 0.00 H new ATOM 0 HG SER A 72 14.316 8.479 5.307 1.00 0.00 H new ATOM 1101 N SER A 73 16.541 8.709 2.627 1.00 0.00 N ATOM 1102 CA SER A 73 16.239 9.723 1.638 1.00 0.00 C ATOM 1103 C SER A 73 15.509 9.095 0.458 1.00 0.00 C ATOM 1104 O SER A 73 15.762 7.943 0.111 1.00 0.00 O ATOM 1105 CB SER A 73 17.534 10.390 1.180 1.00 0.00 C ATOM 1106 OG SER A 73 17.229 11.528 0.407 1.00 0.00 O ATOM 0 H SER A 73 17.495 8.351 2.584 1.00 0.00 H new ATOM 0 HA SER A 73 15.591 10.481 2.078 1.00 0.00 H new ATOM 0 HB2 SER A 73 18.134 10.675 2.044 1.00 0.00 H new ATOM 0 HB3 SER A 73 18.129 9.689 0.595 1.00 0.00 H new ATOM 0 HG SER A 73 18.060 11.952 0.106 1.00 0.00 H new ATOM 1112 N GLU A 74 14.604 9.856 -0.159 1.00 0.00 N ATOM 1113 CA GLU A 74 13.846 9.372 -1.295 1.00 0.00 C ATOM 1114 C GLU A 74 14.765 9.204 -2.499 1.00 0.00 C ATOM 1115 O GLU A 74 14.632 8.247 -3.258 1.00 0.00 O ATOM 1116 CB GLU A 74 12.719 10.350 -1.608 1.00 0.00 C ATOM 1117 CG GLU A 74 11.386 9.607 -1.607 1.00 0.00 C ATOM 1118 CD GLU A 74 10.285 10.463 -2.217 1.00 0.00 C ATOM 1119 OE1 GLU A 74 10.496 10.927 -3.359 1.00 0.00 O ATOM 1120 OE2 GLU A 74 9.256 10.638 -1.531 1.00 0.00 O ATOM 0 H GLU A 74 14.383 10.813 0.117 1.00 0.00 H new ATOM 0 HA GLU A 74 13.412 8.401 -1.058 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.702 11.151 -0.868 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.887 10.816 -2.579 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.483 8.678 -2.169 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.117 9.336 -0.586 1.00 0.00 H new ATOM 1127 N GLN A 75 15.701 10.141 -2.669 1.00 0.00 N ATOM 1128 CA GLN A 75 16.635 10.095 -3.776 1.00 0.00 C ATOM 1129 C GLN A 75 18.006 9.660 -3.277 1.00 0.00 C ATOM 1130 O GLN A 75 18.571 10.288 -2.384 1.00 0.00 O ATOM 1131 CB GLN A 75 16.709 11.469 -4.435 1.00 0.00 C ATOM 1132 CG GLN A 75 16.144 11.388 -5.850 1.00 0.00 C ATOM 1133 CD GLN A 75 15.346 12.639 -6.187 1.00 0.00 C ATOM 1134 OE1 GLN A 75 15.880 13.745 -6.156 1.00 0.00 O ATOM 1135 NE2 GLN A 75 14.063 12.461 -6.511 1.00 0.00 N ATOM 0 H GLN A 75 15.825 10.940 -2.047 1.00 0.00 H new ATOM 0 HA GLN A 75 16.294 9.370 -4.515 1.00 0.00 H new ATOM 0 HB2 GLN A 75 16.146 12.196 -3.849 1.00 0.00 H new ATOM 0 HB3 GLN A 75 17.742 11.815 -4.464 1.00 0.00 H new ATOM 0 HG2 GLN A 75 16.958 11.267 -6.565 1.00 0.00 H new ATOM 0 HG3 GLN A 75 15.506 10.509 -5.942 1.00 0.00 H new ATOM 0 HE21 GLN A 75 13.665 11.522 -6.522 1.00 0.00 H new ATOM 0 HE22 GLN A 75 13.480 13.264 -6.747 1.00 0.00 H new ATOM 1144 N CYS A 76 18.540 8.583 -3.858 1.00 0.00 N ATOM 1145 CA CYS A 76 19.839 8.071 -3.472 1.00 0.00 C ATOM 1146 C CYS A 76 20.934 8.882 -4.150 1.00 0.00 C ATOM 1147 O CYS A 76 20.915 9.058 -5.366 1.00 0.00 O ATOM 1148 CB CYS A 76 19.939 6.597 -3.858 1.00 0.00 C ATOM 1149 SG CYS A 76 20.941 5.606 -2.722 1.00 0.00 S ATOM 0 H CYS A 76 18.083 8.053 -4.600 1.00 0.00 H new ATOM 0 HA CYS A 76 19.964 8.159 -2.393 1.00 0.00 H new ATOM 0 HB2 CYS A 76 18.935 6.175 -3.904 1.00 0.00 H new ATOM 0 HB3 CYS A 76 20.362 6.522 -4.860 1.00 0.00 H new ATOM 1154 N VAL A 77 21.890 9.375 -3.359 1.00 0.00 N ATOM 1155 CA VAL A 77 22.986 10.164 -3.885 1.00 0.00 C ATOM 1156 C VAL A 77 24.292 9.398 -3.730 1.00 0.00 C ATOM 1157 O VAL A 77 24.516 8.747 -2.711 1.00 0.00 O ATOM 1158 CB VAL A 77 23.050 11.499 -3.148 1.00 0.00 C ATOM 1159 CG1 VAL A 77 23.745 11.304 -1.802 1.00 0.00 C ATOM 1160 CG2 VAL A 77 23.837 12.504 -3.984 1.00 0.00 C ATOM 0 H VAL A 77 21.919 9.236 -2.349 1.00 0.00 H new ATOM 0 HA VAL A 77 22.825 10.358 -4.946 1.00 0.00 H new ATOM 0 HB VAL A 77 22.039 11.873 -2.985 1.00 0.00 H new ATOM 0 HG11 VAL A 77 23.791 12.257 -1.275 1.00 0.00 H new ATOM 0 HG12 VAL A 77 23.185 10.585 -1.204 1.00 0.00 H new ATOM 0 HG13 VAL A 77 24.756 10.930 -1.965 1.00 0.00 H new ATOM 0 HG21 VAL A 77 23.883 13.458 -3.458 1.00 0.00 H new ATOM 0 HG22 VAL A 77 24.848 12.130 -4.146 1.00 0.00 H new ATOM 0 HG23 VAL A 77 23.343 12.643 -4.946 1.00 0.00 H new ATOM 1170 N MET A 78 25.156 9.476 -4.745 1.00 0.00 N ATOM 1171 CA MET A 78 26.431 8.789 -4.714 1.00 0.00 C ATOM 1172 C MET A 78 27.429 9.585 -3.885 1.00 0.00 C ATOM 1173 O MET A 78 27.737 10.730 -4.208 1.00 0.00 O ATOM 1174 CB MET A 78 26.942 8.603 -6.141 1.00 0.00 C ATOM 1175 CG MET A 78 26.283 7.375 -6.762 1.00 0.00 C ATOM 1176 SD MET A 78 26.358 5.896 -5.721 1.00 0.00 S ATOM 1177 CE MET A 78 26.994 4.717 -6.938 1.00 0.00 C ATOM 0 H MET A 78 24.987 10.012 -5.596 1.00 0.00 H new ATOM 0 HA MET A 78 26.308 7.809 -4.254 1.00 0.00 H new ATOM 0 HB2 MET A 78 26.719 9.488 -6.736 1.00 0.00 H new ATOM 0 HB3 MET A 78 28.026 8.485 -6.138 1.00 0.00 H new ATOM 0 HG2 MET A 78 25.239 7.604 -6.976 1.00 0.00 H new ATOM 0 HG3 MET A 78 26.764 7.160 -7.716 1.00 0.00 H new ATOM 0 HE1 MET A 78 26.544 3.739 -6.767 1.00 0.00 H new ATOM 0 HE2 MET A 78 26.745 5.060 -7.942 1.00 0.00 H new ATOM 0 HE3 MET A 78 28.077 4.640 -6.839 1.00 0.00 H new ATOM 1187 N LYS A 79 27.935 8.973 -2.811 1.00 0.00 N ATOM 1188 CA LYS A 79 28.893 9.626 -1.942 1.00 0.00 C ATOM 1189 C LYS A 79 30.308 9.340 -2.426 1.00 0.00 C ATOM 1190 O LYS A 79 30.558 8.318 -3.060 1.00 0.00 O ATOM 1191 CB LYS A 79 28.702 9.130 -0.512 1.00 0.00 C ATOM 1192 CG LYS A 79 29.140 10.217 0.466 1.00 0.00 C ATOM 1193 CD LYS A 79 27.925 10.735 1.230 1.00 0.00 C ATOM 1194 CE LYS A 79 27.427 12.023 0.581 1.00 0.00 C ATOM 1195 NZ LYS A 79 28.287 13.162 0.937 1.00 0.00 N ATOM 0 H LYS A 79 27.691 8.024 -2.530 1.00 0.00 H new ATOM 0 HA LYS A 79 28.733 10.704 -1.964 1.00 0.00 H new ATOM 0 HB2 LYS A 79 27.657 8.872 -0.342 1.00 0.00 H new ATOM 0 HB3 LYS A 79 29.285 8.223 -0.349 1.00 0.00 H new ATOM 0 HG2 LYS A 79 29.878 9.818 1.162 1.00 0.00 H new ATOM 0 HG3 LYS A 79 29.619 11.034 -0.073 1.00 0.00 H new ATOM 0 HD2 LYS A 79 27.134 9.985 1.228 1.00 0.00 H new ATOM 0 HD3 LYS A 79 28.188 10.918 2.272 1.00 0.00 H new ATOM 0 HE2 LYS A 79 27.406 11.904 -0.502 1.00 0.00 H new ATOM 0 HE3 LYS A 79 26.404 12.222 0.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 27.807 14.050 0.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 28.479 13.146 1.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 29.184 13.096 0.416 1.00 0.00 H new ATOM 1209 N GLU A 80 31.237 10.251 -2.124 1.00 0.00 N ATOM 1210 CA GLU A 80 32.620 10.091 -2.527 1.00 0.00 C ATOM 1211 C GLU A 80 33.480 9.765 -1.314 1.00 0.00 C ATOM 1212 O GLU A 80 33.720 10.624 -0.469 1.00 0.00 O ATOM 1213 CB GLU A 80 33.102 11.372 -3.203 1.00 0.00 C ATOM 1214 CG GLU A 80 33.041 12.527 -2.207 1.00 0.00 C ATOM 1215 CD GLU A 80 32.454 13.773 -2.856 1.00 0.00 C ATOM 1216 OE1 GLU A 80 31.551 13.600 -3.703 1.00 0.00 O ATOM 1217 OE2 GLU A 80 32.919 14.874 -2.491 1.00 0.00 O ATOM 0 H GLU A 80 31.047 11.106 -1.600 1.00 0.00 H new ATOM 0 HA GLU A 80 32.702 9.267 -3.235 1.00 0.00 H new ATOM 0 HB2 GLU A 80 34.122 11.243 -3.565 1.00 0.00 H new ATOM 0 HB3 GLU A 80 32.481 11.593 -4.071 1.00 0.00 H new ATOM 0 HG2 GLU A 80 32.435 12.240 -1.348 1.00 0.00 H new ATOM 0 HG3 GLU A 80 34.042 12.744 -1.833 1.00 0.00 H new ATOM 1224 N LYS A 81 33.946 8.517 -1.233 1.00 0.00 N ATOM 1225 CA LYS A 81 34.777 8.083 -0.128 1.00 0.00 C ATOM 1226 C LYS A 81 36.221 7.940 -0.590 1.00 0.00 C ATOM 1227 O LYS A 81 36.482 7.759 -1.777 1.00 0.00 O ATOM 1228 CB LYS A 81 34.251 6.757 0.413 1.00 0.00 C ATOM 1229 CG LYS A 81 32.734 6.836 0.565 1.00 0.00 C ATOM 1230 CD LYS A 81 32.340 6.409 1.976 1.00 0.00 C ATOM 1231 CE LYS A 81 30.822 6.271 2.060 1.00 0.00 C ATOM 1232 NZ LYS A 81 30.236 7.369 2.843 1.00 0.00 N ATOM 0 H LYS A 81 33.756 7.793 -1.926 1.00 0.00 H new ATOM 0 HA LYS A 81 34.743 8.826 0.669 1.00 0.00 H new ATOM 0 HB2 LYS A 81 34.518 5.945 -0.263 1.00 0.00 H new ATOM 0 HB3 LYS A 81 34.713 6.536 1.375 1.00 0.00 H new ATOM 0 HG2 LYS A 81 32.391 7.853 0.372 1.00 0.00 H new ATOM 0 HG3 LYS A 81 32.250 6.192 -0.169 1.00 0.00 H new ATOM 0 HD2 LYS A 81 32.817 5.461 2.227 1.00 0.00 H new ATOM 0 HD3 LYS A 81 32.690 7.144 2.701 1.00 0.00 H new ATOM 0 HE2 LYS A 81 30.397 6.268 1.056 1.00 0.00 H new ATOM 0 HE3 LYS A 81 30.565 5.316 2.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 29.556 6.982 3.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 30.990 7.874 3.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 29.747 8.028 2.204 1.00 0.00 H new ATOM 1246 N LYS A 82 37.161 8.024 0.355 1.00 0.00 N ATOM 1247 CA LYS A 82 38.571 7.905 0.041 1.00 0.00 C ATOM 1248 C LYS A 82 38.824 6.616 -0.727 1.00 0.00 C ATOM 1249 O LYS A 82 38.856 5.536 -0.141 1.00 0.00 O ATOM 1250 CB LYS A 82 39.383 7.933 1.333 1.00 0.00 C ATOM 1251 CG LYS A 82 38.670 7.103 2.398 1.00 0.00 C ATOM 1252 CD LYS A 82 39.504 5.867 2.723 1.00 0.00 C ATOM 1253 CE LYS A 82 38.619 4.818 3.390 1.00 0.00 C ATOM 1254 NZ LYS A 82 38.550 5.033 4.843 1.00 0.00 N ATOM 0 H LYS A 82 36.961 8.174 1.344 1.00 0.00 H new ATOM 0 HA LYS A 82 38.879 8.742 -0.585 1.00 0.00 H new ATOM 0 HB2 LYS A 82 40.383 7.536 1.156 1.00 0.00 H new ATOM 0 HB3 LYS A 82 39.504 8.960 1.677 1.00 0.00 H new ATOM 0 HG2 LYS A 82 38.518 7.699 3.298 1.00 0.00 H new ATOM 0 HG3 LYS A 82 37.683 6.806 2.042 1.00 0.00 H new ATOM 0 HD2 LYS A 82 39.943 5.461 1.812 1.00 0.00 H new ATOM 0 HD3 LYS A 82 40.329 6.135 3.383 1.00 0.00 H new ATOM 0 HE2 LYS A 82 37.616 4.860 2.965 1.00 0.00 H new ATOM 0 HE3 LYS A 82 39.011 3.822 3.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 37.942 4.307 5.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 39.505 4.970 5.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 38.153 5.975 5.036 1.00 0.00 H new ATOM 1268 N ASP A 83 39.003 6.732 -2.045 1.00 0.00 N ATOM 1269 CA ASP A 83 39.250 5.578 -2.886 1.00 0.00 C ATOM 1270 C ASP A 83 40.543 5.776 -3.664 1.00 0.00 C ATOM 1271 O ASP A 83 40.606 6.606 -4.567 1.00 0.00 O ATOM 1272 CB ASP A 83 38.073 5.382 -3.837 1.00 0.00 C ATOM 1273 CG ASP A 83 36.749 5.501 -3.096 1.00 0.00 C ATOM 1274 OD1 ASP A 83 36.662 4.919 -1.993 1.00 0.00 O ATOM 1275 OD2 ASP A 83 35.848 6.171 -3.645 1.00 0.00 O ATOM 0 H ASP A 83 38.980 7.620 -2.546 1.00 0.00 H new ATOM 0 HA ASP A 83 39.353 4.687 -2.267 1.00 0.00 H new ATOM 0 HB2 ASP A 83 38.116 6.125 -4.633 1.00 0.00 H new ATOM 0 HB3 ASP A 83 38.142 4.403 -4.311 1.00 0.00 H new ATOM 1280 N ASP A 84 41.577 5.009 -3.309 1.00 0.00 N ATOM 1281 CA ASP A 84 42.863 5.105 -3.973 1.00 0.00 C ATOM 1282 C ASP A 84 42.936 4.087 -5.101 1.00 0.00 C ATOM 1283 O ASP A 84 42.682 2.903 -4.890 1.00 0.00 O ATOM 1284 CB ASP A 84 43.977 4.870 -2.957 1.00 0.00 C ATOM 1285 CG ASP A 84 45.204 5.706 -3.294 1.00 0.00 C ATOM 1286 OD1 ASP A 84 45.255 6.859 -2.815 1.00 0.00 O ATOM 1287 OD2 ASP A 84 46.069 5.175 -4.025 1.00 0.00 O ATOM 0 H ASP A 84 41.540 4.315 -2.562 1.00 0.00 H new ATOM 0 HA ASP A 84 42.984 6.100 -4.401 1.00 0.00 H new ATOM 0 HB2 ASP A 84 43.623 5.123 -1.958 1.00 0.00 H new ATOM 0 HB3 ASP A 84 44.245 3.813 -2.942 1.00 0.00 H new ATOM 1292 N GLY A 85 43.287 4.549 -6.304 1.00 0.00 N ATOM 1293 CA GLY A 85 43.390 3.674 -7.454 1.00 0.00 C ATOM 1294 C GLY A 85 42.113 3.735 -8.280 1.00 0.00 C ATOM 1295 O GLY A 85 42.034 3.144 -9.355 1.00 0.00 O ATOM 0 H GLY A 85 43.503 5.527 -6.498 1.00 0.00 H new ATOM 0 HA2 GLY A 85 44.242 3.967 -8.067 1.00 0.00 H new ATOM 0 HA3 GLY A 85 43.570 2.650 -7.126 1.00 0.00 H new ATOM 1299 N GLY A 86 41.109 4.453 -7.773 1.00 0.00 N ATOM 1300 CA GLY A 86 39.843 4.586 -8.466 1.00 0.00 C ATOM 1301 C GLY A 86 38.788 5.158 -7.530 1.00 0.00 C ATOM 1302 O GLY A 86 38.834 4.931 -6.322 1.00 0.00 O ATOM 0 H GLY A 86 41.156 4.949 -6.883 1.00 0.00 H new ATOM 0 HA2 GLY A 86 39.961 5.236 -9.333 1.00 0.00 H new ATOM 0 HA3 GLY A 86 39.520 3.614 -8.838 1.00 0.00 H new ATOM 1306 N LEU A 87 37.832 5.902 -8.092 1.00 0.00 N ATOM 1307 CA LEU A 87 36.769 6.502 -7.308 1.00 0.00 C ATOM 1308 C LEU A 87 35.647 5.495 -7.103 1.00 0.00 C ATOM 1309 O LEU A 87 35.213 4.843 -8.050 1.00 0.00 O ATOM 1310 CB LEU A 87 36.254 7.749 -8.023 1.00 0.00 C ATOM 1311 CG LEU A 87 36.885 8.989 -7.399 1.00 0.00 C ATOM 1312 CD1 LEU A 87 38.388 8.773 -7.244 1.00 0.00 C ATOM 1313 CD2 LEU A 87 36.636 10.195 -8.301 1.00 0.00 C ATOM 0 H LEU A 87 37.779 6.099 -9.091 1.00 0.00 H new ATOM 0 HA LEU A 87 37.152 6.792 -6.329 1.00 0.00 H new ATOM 0 HB2 LEU A 87 36.497 7.699 -9.084 1.00 0.00 H new ATOM 0 HB3 LEU A 87 35.168 7.803 -7.947 1.00 0.00 H new ATOM 0 HG LEU A 87 36.441 9.168 -6.420 1.00 0.00 H new ATOM 0 HD11 LEU A 87 38.839 9.659 -6.798 1.00 0.00 H new ATOM 0 HD12 LEU A 87 38.567 7.912 -6.600 1.00 0.00 H new ATOM 0 HD13 LEU A 87 38.833 8.593 -8.223 1.00 0.00 H new ATOM 0 HD21 LEU A 87 37.087 11.082 -7.856 1.00 0.00 H new ATOM 0 HD22 LEU A 87 37.080 10.015 -9.280 1.00 0.00 H new ATOM 0 HD23 LEU A 87 35.563 10.351 -8.412 1.00 0.00 H new ATOM 1325 N MET A 88 35.176 5.371 -5.861 1.00 0.00 N ATOM 1326 CA MET A 88 34.109 4.444 -5.539 1.00 0.00 C ATOM 1327 C MET A 88 33.018 5.161 -4.757 1.00 0.00 C ATOM 1328 O MET A 88 33.256 5.647 -3.654 1.00 0.00 O ATOM 1329 CB MET A 88 34.674 3.280 -4.732 1.00 0.00 C ATOM 1330 CG MET A 88 35.969 2.794 -5.376 1.00 0.00 C ATOM 1331 SD MET A 88 36.281 1.025 -5.159 1.00 0.00 S ATOM 1332 CE MET A 88 37.605 1.113 -3.928 1.00 0.00 C ATOM 0 H MET A 88 35.523 5.906 -5.065 1.00 0.00 H new ATOM 0 HA MET A 88 33.672 4.055 -6.459 1.00 0.00 H new ATOM 0 HB2 MET A 88 34.862 3.593 -3.705 1.00 0.00 H new ATOM 0 HB3 MET A 88 33.949 2.467 -4.690 1.00 0.00 H new ATOM 0 HG2 MET A 88 35.939 3.019 -6.442 1.00 0.00 H new ATOM 0 HG3 MET A 88 36.804 3.354 -4.955 1.00 0.00 H new ATOM 0 HE1 MET A 88 37.929 0.105 -3.669 1.00 0.00 H new ATOM 0 HE2 MET A 88 38.447 1.670 -4.339 1.00 0.00 H new ATOM 0 HE3 MET A 88 37.238 1.617 -3.034 1.00 0.00 H new ATOM 1342 N PHE A 89 31.816 5.228 -5.334 1.00 0.00 N ATOM 1343 CA PHE A 89 30.695 5.884 -4.690 1.00 0.00 C ATOM 1344 C PHE A 89 29.646 4.852 -4.301 1.00 0.00 C ATOM 1345 O PHE A 89 29.334 3.955 -5.081 1.00 0.00 O ATOM 1346 CB PHE A 89 30.105 6.926 -5.637 1.00 0.00 C ATOM 1347 CG PHE A 89 30.972 8.151 -5.800 1.00 0.00 C ATOM 1348 CD1 PHE A 89 32.316 8.014 -6.169 1.00 0.00 C ATOM 1349 CD2 PHE A 89 30.433 9.424 -5.581 1.00 0.00 C ATOM 1350 CE1 PHE A 89 33.120 9.150 -6.319 1.00 0.00 C ATOM 1351 CE2 PHE A 89 31.237 10.560 -5.730 1.00 0.00 C ATOM 1352 CZ PHE A 89 32.580 10.423 -6.099 1.00 0.00 C ATOM 0 H PHE A 89 31.602 4.832 -6.249 1.00 0.00 H new ATOM 0 HA PHE A 89 31.034 6.386 -3.784 1.00 0.00 H new ATOM 0 HB2 PHE A 89 29.947 6.469 -6.614 1.00 0.00 H new ATOM 0 HB3 PHE A 89 29.126 7.230 -5.266 1.00 0.00 H new ATOM 0 HD1 PHE A 89 32.732 7.032 -6.338 1.00 0.00 H new ATOM 0 HD2 PHE A 89 29.396 9.530 -5.297 1.00 0.00 H new ATOM 0 HE1 PHE A 89 34.156 9.045 -6.604 1.00 0.00 H new ATOM 0 HE2 PHE A 89 30.821 11.542 -5.560 1.00 0.00 H new ATOM 0 HZ PHE A 89 33.200 11.300 -6.214 1.00 0.00 H new ATOM 1362 N MET A 90 29.102 4.981 -3.089 1.00 0.00 N ATOM 1363 CA MET A 90 28.094 4.059 -2.604 1.00 0.00 C ATOM 1364 C MET A 90 26.905 4.834 -2.054 1.00 0.00 C ATOM 1365 O MET A 90 27.078 5.842 -1.372 1.00 0.00 O ATOM 1366 CB MET A 90 28.701 3.165 -1.526 1.00 0.00 C ATOM 1367 CG MET A 90 29.302 4.033 -0.424 1.00 0.00 C ATOM 1368 SD MET A 90 28.170 4.363 0.950 1.00 0.00 S ATOM 1369 CE MET A 90 28.255 6.171 0.967 1.00 0.00 C ATOM 0 H MET A 90 29.349 5.720 -2.430 1.00 0.00 H new ATOM 0 HA MET A 90 27.745 3.433 -3.425 1.00 0.00 H new ATOM 0 HB2 MET A 90 27.937 2.508 -1.110 1.00 0.00 H new ATOM 0 HB3 MET A 90 29.470 2.525 -1.959 1.00 0.00 H new ATOM 0 HG2 MET A 90 30.195 3.544 -0.036 1.00 0.00 H new ATOM 0 HG3 MET A 90 29.620 4.982 -0.856 1.00 0.00 H new ATOM 0 HE1 MET A 90 28.060 6.535 1.976 1.00 0.00 H new ATOM 0 HE2 MET A 90 29.248 6.492 0.651 1.00 0.00 H new ATOM 0 HE3 MET A 90 27.508 6.577 0.284 1.00 0.00 H new ATOM 1379 N CYS A 91 25.694 4.359 -2.355 1.00 0.00 N ATOM 1380 CA CYS A 91 24.482 5.006 -1.892 1.00 0.00 C ATOM 1381 C CYS A 91 23.442 3.955 -1.534 1.00 0.00 C ATOM 1382 O CYS A 91 23.501 2.829 -2.024 1.00 0.00 O ATOM 1383 CB CYS A 91 23.957 5.939 -2.978 1.00 0.00 C ATOM 1384 SG CYS A 91 22.453 6.834 -2.516 1.00 0.00 S ATOM 0 H CYS A 91 25.535 3.525 -2.920 1.00 0.00 H new ATOM 0 HA CYS A 91 24.697 5.594 -1.000 1.00 0.00 H new ATOM 0 HB2 CYS A 91 24.734 6.661 -3.229 1.00 0.00 H new ATOM 0 HB3 CYS A 91 23.759 5.357 -3.878 1.00 0.00 H new ATOM 1389 N SER A 92 22.487 4.323 -0.676 1.00 0.00 N ATOM 1390 CA SER A 92 21.441 3.412 -0.260 1.00 0.00 C ATOM 1391 C SER A 92 20.126 4.164 -0.120 1.00 0.00 C ATOM 1392 O SER A 92 20.115 5.391 -0.035 1.00 0.00 O ATOM 1393 CB SER A 92 21.834 2.758 1.062 1.00 0.00 C ATOM 1394 OG SER A 92 22.373 3.733 1.926 1.00 0.00 O ATOM 0 H SER A 92 22.425 5.252 -0.259 1.00 0.00 H new ATOM 0 HA SER A 92 21.312 2.633 -1.012 1.00 0.00 H new ATOM 0 HB2 SER A 92 20.963 2.290 1.522 1.00 0.00 H new ATOM 0 HB3 SER A 92 22.564 1.968 0.886 1.00 0.00 H new ATOM 0 HG SER A 92 21.748 4.484 2.002 1.00 0.00 H new ATOM 1400 N CYS A 93 19.014 3.426 -0.094 1.00 0.00 N ATOM 1401 CA CYS A 93 17.700 4.023 0.037 1.00 0.00 C ATOM 1402 C CYS A 93 16.633 2.943 -0.050 1.00 0.00 C ATOM 1403 O CYS A 93 16.686 2.080 -0.924 1.00 0.00 O ATOM 1404 CB CYS A 93 17.506 5.066 -1.060 1.00 0.00 C ATOM 1405 SG CYS A 93 17.726 4.420 -2.737 1.00 0.00 S ATOM 0 H CYS A 93 19.007 2.408 -0.163 1.00 0.00 H new ATOM 0 HA CYS A 93 17.613 4.514 1.006 1.00 0.00 H new ATOM 0 HB2 CYS A 93 16.505 5.488 -0.973 1.00 0.00 H new ATOM 0 HB3 CYS A 93 18.211 5.882 -0.900 1.00 0.00 H new ATOM 1410 N THR A 94 15.658 2.988 0.862 1.00 0.00 N ATOM 1411 CA THR A 94 14.586 2.014 0.881 1.00 0.00 C ATOM 1412 C THR A 94 13.594 2.313 -0.233 1.00 0.00 C ATOM 1413 O THR A 94 12.657 1.550 -0.459 1.00 0.00 O ATOM 1414 CB THR A 94 13.896 2.046 2.242 1.00 0.00 C ATOM 1415 OG1 THR A 94 12.594 1.517 2.120 1.00 0.00 O ATOM 1416 CG2 THR A 94 13.814 3.486 2.739 1.00 0.00 C ATOM 0 H THR A 94 15.597 3.695 1.595 1.00 0.00 H new ATOM 0 HA THR A 94 14.994 1.017 0.717 1.00 0.00 H new ATOM 0 HB THR A 94 14.468 1.449 2.953 1.00 0.00 H new ATOM 0 HG1 THR A 94 12.150 1.536 2.994 1.00 0.00 H new ATOM 0 HG21 THR A 94 13.321 3.508 3.711 1.00 0.00 H new ATOM 0 HG22 THR A 94 14.819 3.896 2.833 1.00 0.00 H new ATOM 0 HG23 THR A 94 13.243 4.084 2.029 1.00 0.00 H new ATOM 1424 N GLY A 95 13.803 3.432 -0.933 1.00 0.00 N ATOM 1425 CA GLY A 95 12.927 3.823 -2.019 1.00 0.00 C ATOM 1426 C GLY A 95 12.949 2.773 -3.121 1.00 0.00 C ATOM 1427 O GLY A 95 13.878 1.972 -3.203 1.00 0.00 O ATOM 0 H GLY A 95 14.574 4.077 -0.760 1.00 0.00 H new ATOM 0 HA2 GLY A 95 11.910 3.949 -1.647 1.00 0.00 H new ATOM 0 HA3 GLY A 95 13.241 4.787 -2.420 1.00 0.00 H new ATOM 1431 N GLU A 96 11.919 2.778 -3.970 1.00 0.00 N ATOM 1432 CA GLU A 96 11.825 1.829 -5.060 1.00 0.00 C ATOM 1433 C GLU A 96 12.934 2.088 -6.071 1.00 0.00 C ATOM 1434 O GLU A 96 13.003 3.163 -6.661 1.00 0.00 O ATOM 1435 CB GLU A 96 10.454 1.946 -5.719 1.00 0.00 C ATOM 1436 CG GLU A 96 10.120 0.641 -6.436 1.00 0.00 C ATOM 1437 CD GLU A 96 8.867 0.793 -7.286 1.00 0.00 C ATOM 1438 OE1 GLU A 96 7.779 0.893 -6.679 1.00 0.00 O ATOM 1439 OE2 GLU A 96 9.020 0.806 -8.526 1.00 0.00 O ATOM 0 H GLU A 96 11.140 3.435 -3.916 1.00 0.00 H new ATOM 0 HA GLU A 96 11.943 0.816 -4.675 1.00 0.00 H new ATOM 0 HB2 GLU A 96 9.695 2.165 -4.968 1.00 0.00 H new ATOM 0 HB3 GLU A 96 10.449 2.774 -6.428 1.00 0.00 H new ATOM 0 HG2 GLU A 96 10.958 0.343 -7.066 1.00 0.00 H new ATOM 0 HG3 GLU A 96 9.974 -0.153 -5.704 1.00 0.00 H new ATOM 1446 N GLU A 97 13.803 1.094 -6.271 1.00 0.00 N ATOM 1447 CA GLU A 97 14.900 1.219 -7.209 1.00 0.00 C ATOM 1448 C GLU A 97 15.549 2.590 -7.071 1.00 0.00 C ATOM 1449 O GLU A 97 16.230 3.053 -7.983 1.00 0.00 O ATOM 1450 CB GLU A 97 14.381 1.007 -8.628 1.00 0.00 C ATOM 1451 CG GLU A 97 13.798 -0.398 -8.752 1.00 0.00 C ATOM 1452 CD GLU A 97 13.293 -0.653 -10.164 1.00 0.00 C ATOM 1453 OE1 GLU A 97 12.374 0.083 -10.580 1.00 0.00 O ATOM 1454 OE2 GLU A 97 13.838 -1.582 -10.802 1.00 0.00 O ATOM 0 H GLU A 97 13.760 0.195 -5.790 1.00 0.00 H new ATOM 0 HA GLU A 97 15.653 0.461 -6.993 1.00 0.00 H new ATOM 0 HB2 GLU A 97 13.619 1.750 -8.863 1.00 0.00 H new ATOM 0 HB3 GLU A 97 15.190 1.141 -9.346 1.00 0.00 H new ATOM 0 HG2 GLU A 97 14.558 -1.136 -8.495 1.00 0.00 H new ATOM 0 HG3 GLU A 97 12.981 -0.521 -8.041 1.00 0.00 H new ATOM 1461 N CYS A 98 15.334 3.238 -5.923 1.00 0.00 N ATOM 1462 CA CYS A 98 15.896 4.550 -5.669 1.00 0.00 C ATOM 1463 C CYS A 98 17.416 4.468 -5.678 1.00 0.00 C ATOM 1464 O CYS A 98 18.094 5.492 -5.737 1.00 0.00 O ATOM 1465 CB CYS A 98 15.390 5.067 -4.326 1.00 0.00 C ATOM 1466 SG CYS A 98 16.558 6.151 -3.467 1.00 0.00 S ATOM 0 H CYS A 98 14.771 2.867 -5.158 1.00 0.00 H new ATOM 0 HA CYS A 98 15.584 5.243 -6.450 1.00 0.00 H new ATOM 0 HB2 CYS A 98 14.457 5.608 -4.485 1.00 0.00 H new ATOM 0 HB3 CYS A 98 15.160 4.217 -3.684 1.00 0.00 H new ATOM 1471 N ASN A 99 17.951 3.246 -5.620 1.00 0.00 N ATOM 1472 CA ASN A 99 19.385 3.040 -5.622 1.00 0.00 C ATOM 1473 C ASN A 99 19.885 2.891 -7.052 1.00 0.00 C ATOM 1474 O ASN A 99 21.049 3.164 -7.339 1.00 0.00 O ATOM 1475 CB ASN A 99 19.720 1.799 -4.801 1.00 0.00 C ATOM 1476 CG ASN A 99 19.129 0.549 -5.437 1.00 0.00 C ATOM 1477 OD1 ASN A 99 18.089 0.616 -6.087 1.00 0.00 O ATOM 1478 ND2 ASN A 99 19.795 -0.591 -5.248 1.00 0.00 N ATOM 0 H ASN A 99 17.403 2.387 -5.571 1.00 0.00 H new ATOM 0 HA ASN A 99 19.880 3.902 -5.174 1.00 0.00 H new ATOM 0 HB2 ASN A 99 20.802 1.693 -4.720 1.00 0.00 H new ATOM 0 HB3 ASN A 99 19.334 1.913 -3.788 1.00 0.00 H new ATOM 0 HD21 ASN A 99 19.444 -1.460 -5.652 1.00 0.00 H new ATOM 0 HD22 ASN A 99 20.655 -0.594 -4.700 1.00 0.00 H new ATOM 1485 N ASP A 100 19.000 2.456 -7.952 1.00 0.00 N ATOM 1486 CA ASP A 100 19.353 2.271 -9.345 1.00 0.00 C ATOM 1487 C ASP A 100 19.990 3.542 -9.887 1.00 0.00 C ATOM 1488 O ASP A 100 20.961 3.481 -10.638 1.00 0.00 O ATOM 1489 CB ASP A 100 18.104 1.909 -10.142 1.00 0.00 C ATOM 1490 CG ASP A 100 17.546 3.129 -10.862 1.00 0.00 C ATOM 1491 OD1 ASP A 100 18.204 3.565 -11.832 1.00 0.00 O ATOM 1492 OD2 ASP A 100 16.473 3.602 -10.431 1.00 0.00 O ATOM 0 H ASP A 100 18.031 2.227 -7.731 1.00 0.00 H new ATOM 0 HA ASP A 100 20.074 1.459 -9.438 1.00 0.00 H new ATOM 0 HB2 ASP A 100 18.343 1.132 -10.868 1.00 0.00 H new ATOM 0 HB3 ASP A 100 17.347 1.499 -9.473 1.00 0.00 H new ATOM 1497 N VAL A 101 19.441 4.698 -9.504 1.00 0.00 N ATOM 1498 CA VAL A 101 19.956 5.976 -9.953 1.00 0.00 C ATOM 1499 C VAL A 101 21.004 6.482 -8.971 1.00 0.00 C ATOM 1500 O VAL A 101 20.705 6.700 -7.798 1.00 0.00 O ATOM 1501 CB VAL A 101 18.807 6.971 -10.078 1.00 0.00 C ATOM 1502 CG1 VAL A 101 19.041 7.868 -11.291 1.00 0.00 C ATOM 1503 CG2 VAL A 101 17.495 6.212 -10.253 1.00 0.00 C ATOM 0 H VAL A 101 18.636 4.765 -8.881 1.00 0.00 H new ATOM 0 HA VAL A 101 20.427 5.861 -10.929 1.00 0.00 H new ATOM 0 HB VAL A 101 18.756 7.583 -9.178 1.00 0.00 H new ATOM 0 HG11 VAL A 101 18.220 8.580 -11.381 1.00 0.00 H new ATOM 0 HG12 VAL A 101 19.979 8.410 -11.167 1.00 0.00 H new ATOM 0 HG13 VAL A 101 19.091 7.256 -12.192 1.00 0.00 H new ATOM 0 HG21 VAL A 101 16.673 6.922 -10.342 1.00 0.00 H new ATOM 0 HG22 VAL A 101 17.546 5.600 -11.154 1.00 0.00 H new ATOM 0 HG23 VAL A 101 17.328 5.570 -9.388 1.00 0.00 H new ATOM 1513 N LEU A 102 22.235 6.669 -9.452 1.00 0.00 N ATOM 1514 CA LEU A 102 23.318 7.148 -8.617 1.00 0.00 C ATOM 1515 C LEU A 102 23.616 8.606 -8.942 1.00 0.00 C ATOM 1516 O LEU A 102 24.230 8.903 -9.964 1.00 0.00 O ATOM 1517 CB LEU A 102 24.554 6.282 -8.841 1.00 0.00 C ATOM 1518 CG LEU A 102 24.389 5.485 -10.132 1.00 0.00 C ATOM 1519 CD1 LEU A 102 25.764 5.151 -10.702 1.00 0.00 C ATOM 1520 CD2 LEU A 102 23.631 4.193 -9.840 1.00 0.00 C ATOM 0 H LEU A 102 22.499 6.493 -10.421 1.00 0.00 H new ATOM 0 HA LEU A 102 23.029 7.082 -7.568 1.00 0.00 H new ATOM 0 HB2 LEU A 102 25.444 6.908 -8.899 1.00 0.00 H new ATOM 0 HB3 LEU A 102 24.695 5.605 -7.998 1.00 0.00 H new ATOM 0 HG LEU A 102 23.830 6.078 -10.856 1.00 0.00 H new ATOM 0 HD11 LEU A 102 25.647 4.582 -11.624 1.00 0.00 H new ATOM 0 HD12 LEU A 102 26.305 6.074 -10.911 1.00 0.00 H new ATOM 0 HD13 LEU A 102 26.324 4.558 -9.978 1.00 0.00 H new ATOM 0 HD21 LEU A 102 23.513 3.624 -10.762 1.00 0.00 H new ATOM 0 HD22 LEU A 102 24.189 3.599 -9.116 1.00 0.00 H new ATOM 0 HD23 LEU A 102 22.648 4.432 -9.433 1.00 0.00 H new ATOM 1532 N ILE A 103 23.177 9.515 -8.069 1.00 0.00 N ATOM 1533 CA ILE A 103 23.398 10.933 -8.263 1.00 0.00 C ATOM 1534 C ILE A 103 24.800 11.304 -7.802 1.00 0.00 C ATOM 1535 O ILE A 103 25.161 11.065 -6.651 1.00 0.00 O ATOM 1536 CB ILE A 103 22.345 11.723 -7.490 1.00 0.00 C ATOM 1537 CG1 ILE A 103 21.075 11.835 -8.327 1.00 0.00 C ATOM 1538 CG2 ILE A 103 22.880 13.119 -7.184 1.00 0.00 C ATOM 1539 CD1 ILE A 103 19.965 11.011 -7.682 1.00 0.00 C ATOM 0 H ILE A 103 22.664 9.283 -7.218 1.00 0.00 H new ATOM 0 HA ILE A 103 23.309 11.177 -9.322 1.00 0.00 H new ATOM 0 HB ILE A 103 22.118 11.209 -6.556 1.00 0.00 H new ATOM 0 HG12 ILE A 103 20.769 12.878 -8.405 1.00 0.00 H new ATOM 0 HG13 ILE A 103 21.263 11.481 -9.341 1.00 0.00 H new ATOM 0 HG21 ILE A 103 22.129 13.684 -6.632 1.00 0.00 H new ATOM 0 HG22 ILE A 103 23.786 13.038 -6.584 1.00 0.00 H new ATOM 0 HG23 ILE A 103 23.108 13.634 -8.117 1.00 0.00 H new ATOM 0 HD11 ILE A 103 19.058 11.091 -8.280 1.00 0.00 H new ATOM 0 HD12 ILE A 103 20.272 9.967 -7.627 1.00 0.00 H new ATOM 0 HD13 ILE A 103 19.771 11.385 -6.677 1.00 0.00 H new ATOM 1551 N PHE A 104 25.591 11.892 -8.702 1.00 0.00 N ATOM 1552 CA PHE A 104 26.947 12.292 -8.380 1.00 0.00 C ATOM 1553 C PHE A 104 27.033 13.809 -8.305 1.00 0.00 C ATOM 1554 O PHE A 104 26.851 14.495 -9.309 1.00 0.00 O ATOM 1555 CB PHE A 104 27.901 11.746 -9.439 1.00 0.00 C ATOM 1556 CG PHE A 104 27.867 10.242 -9.564 1.00 0.00 C ATOM 1557 CD1 PHE A 104 26.778 9.615 -10.182 1.00 0.00 C ATOM 1558 CD2 PHE A 104 28.926 9.474 -9.066 1.00 0.00 C ATOM 1559 CE1 PHE A 104 26.748 8.220 -10.299 1.00 0.00 C ATOM 1560 CE2 PHE A 104 28.896 8.080 -9.184 1.00 0.00 C ATOM 1561 CZ PHE A 104 27.806 7.452 -9.800 1.00 0.00 C ATOM 0 H PHE A 104 25.308 12.099 -9.660 1.00 0.00 H new ATOM 0 HA PHE A 104 27.231 11.885 -7.410 1.00 0.00 H new ATOM 0 HB2 PHE A 104 27.652 12.188 -10.404 1.00 0.00 H new ATOM 0 HB3 PHE A 104 28.917 12.059 -9.198 1.00 0.00 H new ATOM 0 HD1 PHE A 104 25.962 10.207 -10.568 1.00 0.00 H new ATOM 0 HD2 PHE A 104 29.767 9.958 -8.591 1.00 0.00 H new ATOM 0 HE1 PHE A 104 25.908 7.736 -10.775 1.00 0.00 H new ATOM 0 HE2 PHE A 104 29.714 7.488 -8.800 1.00 0.00 H new ATOM 0 HZ PHE A 104 27.782 6.376 -9.890 1.00 0.00 H new ATOM 1571 N SER A 105 27.314 14.333 -7.109 1.00 0.00 N ATOM 1572 CA SER A 105 27.425 15.764 -6.910 1.00 0.00 C ATOM 1573 C SER A 105 28.663 16.076 -6.081 1.00 0.00 C ATOM 1574 O SER A 105 28.901 15.445 -5.054 1.00 0.00 O ATOM 1575 CB SER A 105 26.166 16.279 -6.217 1.00 0.00 C ATOM 1576 OG SER A 105 26.276 16.068 -4.827 1.00 0.00 O ATOM 0 H SER A 105 27.468 13.778 -6.267 1.00 0.00 H new ATOM 0 HA SER A 105 27.524 16.263 -7.874 1.00 0.00 H new ATOM 0 HB2 SER A 105 26.032 17.340 -6.425 1.00 0.00 H new ATOM 0 HB3 SER A 105 25.287 15.764 -6.606 1.00 0.00 H new ATOM 0 HG SER A 105 27.172 15.732 -4.617 1.00 0.00 H new ATOM 1582 N ALA A 106 29.451 17.055 -6.531 1.00 0.00 N ATOM 1583 CA ALA A 106 30.659 17.446 -5.833 1.00 0.00 C ATOM 1584 C ALA A 106 30.430 18.764 -5.108 1.00 0.00 C ATOM 1585 O ALA A 106 31.014 19.004 -4.053 1.00 0.00 O ATOM 1586 CB ALA A 106 31.807 17.569 -6.831 1.00 0.00 C ATOM 0 H ALA A 106 29.265 17.588 -7.380 1.00 0.00 H new ATOM 0 HA ALA A 106 30.919 16.688 -5.094 1.00 0.00 H new ATOM 0 HB1 ALA A 106 32.716 17.863 -6.306 1.00 0.00 H new ATOM 0 HB2 ALA A 106 31.966 16.609 -7.322 1.00 0.00 H new ATOM 0 HB3 ALA A 106 31.560 18.323 -7.579 1.00 0.00 H new ATOM 1592 N ILE A 107 29.578 19.621 -5.676 1.00 0.00 N ATOM 1593 CA ILE A 107 29.276 20.908 -5.084 1.00 0.00 C ATOM 1594 C ILE A 107 28.480 20.710 -3.802 1.00 0.00 C ATOM 1595 O ILE A 107 28.829 21.264 -2.761 1.00 0.00 O ATOM 1596 CB ILE A 107 28.491 21.754 -6.083 1.00 0.00 C ATOM 1597 CG1 ILE A 107 28.144 23.098 -5.449 1.00 0.00 C ATOM 1598 CG2 ILE A 107 27.206 21.026 -6.469 1.00 0.00 C ATOM 1599 CD1 ILE A 107 29.388 23.982 -5.416 1.00 0.00 C ATOM 1600 OXT ILE A 107 27.475 19.970 -3.867 1.00 0.00 O ATOM 0 H ILE A 107 29.087 19.437 -6.551 1.00 0.00 H new ATOM 0 HA ILE A 107 30.202 21.427 -4.837 1.00 0.00 H new ATOM 0 HB ILE A 107 29.096 21.918 -6.974 1.00 0.00 H new ATOM 0 HG12 ILE A 107 27.353 23.587 -6.017 1.00 0.00 H new ATOM 0 HG13 ILE A 107 27.765 22.948 -4.438 1.00 0.00 H new ATOM 0 HG21 ILE A 107 26.646 21.630 -7.182 1.00 0.00 H new ATOM 0 HG22 ILE A 107 27.454 20.066 -6.922 1.00 0.00 H new ATOM 0 HG23 ILE A 107 26.600 20.861 -5.578 1.00 0.00 H new ATOM 0 HD11 ILE A 107 29.140 24.942 -4.963 1.00 0.00 H new ATOM 0 HD12 ILE A 107 30.166 23.494 -4.829 1.00 0.00 H new ATOM 0 HD13 ILE A 107 29.748 24.142 -6.432 1.00 0.00 H new TER 1612 ILE A 107