USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 832 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 23 MET CE :methyl -126:sc= 0 (180deg=-1.28) USER MOD Set 1.2: A 41 MET CE :methyl -175:sc= -2.32 (180deg=-2.44) USER MOD Set 1.3: A 109 CYS SG : rot -8:sc= 1.36 USER MOD Set 2.1: A 104 SER OG : rot 180:sc= 1.63 USER MOD Set 2.2: A 107 SER OG : rot 52:sc= 1.35 USER MOD Set 3.1: A 83 HIS : no HD1:sc= -0.0213 K(o=-0.03,f=-0.77) USER MOD Set 3.2: A 91 CYS SG : rot 180:sc=-0.00868 USER MOD Set 4.1: A 49 TYR OH : rot 18:sc= 1.29 USER MOD Set 4.2: A 81 HIS : no HD1:sc= 2.13 K(o=3.4,f=-8.4!) USER MOD Single : A 4 MET CE :methyl -109:sc= -0.103 (180deg=-0.408) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.0058 K(o=-0.0058,f=-1.2) USER MOD Single : A 17 ASN : amide:sc= -0.0158 K(o=-0.016,f=-1.6!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0.457 K(o=0.46,f=-1.3!) USER MOD Single : A 35 THR OG1 : rot 35:sc= 0.0348 USER MOD Single : A 36 GLN : amide:sc=-0.00165 X(o=-0.0016,f=-0.37) USER MOD Single : A 47 THR OG1 : rot -58:sc= 1.51 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 1.01 K(o=1,f=-1.2) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -130:sc= 0.327 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 30:sc= 0 USER MOD Single : A 68 SER OG : rot -158:sc= 1.25 USER MOD Single : A 70 GLN : amide:sc= -0.078 X(o=-0.078,f=-0.08) USER MOD Single : A 72 MET CE :methyl 138:sc= -0.152 (180deg=-0.597) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0.715 K(o=0.71,f=-1.3) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.0777 K(o=-0.078,f=-8.7!) USER MOD Single : A 89 HIS : no HD1:sc= -0.0757 X(o=-0.076,f=-0.51) USER MOD Single : A 93 SER OG : rot 138:sc= 1.23 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.4 USER MOD Single : A 100 SER OG : rot 180:sc= 0.00491 USER MOD Single : A 106 GLN : amide:sc= 0.798 K(o=0.8,f=-1.2) USER MOD Single : A 111 SER OG : rot 58:sc= 1.28 USER MOD Single : A 114 SER OG : rot -56:sc= 1.24 USER MOD Single : A 115 MET CE :methyl 170:sc=-0.00999 (180deg=-0.157) USER MOD Single : A 117 SER OG : rot -23:sc= 0.183 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 41 N MET A 4 0.871 -7.643 -18.668 1.00 0.00 N ATOM 42 CA MET A 4 1.165 -7.034 -17.380 1.00 0.00 C ATOM 43 C MET A 4 0.988 -5.540 -17.524 1.00 0.00 C ATOM 44 O MET A 4 0.335 -4.902 -16.699 1.00 0.00 O ATOM 45 CB MET A 4 2.573 -7.365 -16.904 1.00 0.00 C ATOM 46 CG MET A 4 2.935 -6.747 -15.567 1.00 0.00 C ATOM 47 SD MET A 4 3.507 -5.049 -15.680 1.00 0.00 S ATOM 48 CE MET A 4 5.110 -5.248 -16.432 1.00 0.00 C ATOM 0 HA MET A 4 0.483 -7.431 -16.628 1.00 0.00 H new ATOM 0 HB2 MET A 4 2.676 -8.448 -16.832 1.00 0.00 H new ATOM 0 HB3 MET A 4 3.288 -7.027 -17.654 1.00 0.00 H new ATOM 0 HG2 MET A 4 2.064 -6.784 -14.913 1.00 0.00 H new ATOM 0 HG3 MET A 4 3.711 -7.351 -15.097 1.00 0.00 H new ATOM 0 HE1 MET A 4 5.886 -5.035 -15.697 1.00 0.00 H new ATOM 0 HE2 MET A 4 5.220 -6.272 -16.789 1.00 0.00 H new ATOM 0 HE3 MET A 4 5.206 -4.559 -17.271 1.00 0.00 H new ATOM 58 N GLN A 5 1.602 -5.006 -18.578 1.00 0.00 N ATOM 59 CA GLN A 5 1.525 -3.591 -18.880 1.00 0.00 C ATOM 60 C GLN A 5 0.087 -3.176 -19.172 1.00 0.00 C ATOM 61 O GLN A 5 -0.317 -2.100 -18.736 1.00 0.00 O ATOM 62 CB GLN A 5 2.443 -3.280 -20.059 1.00 0.00 C ATOM 63 CG GLN A 5 3.918 -3.408 -19.720 1.00 0.00 C ATOM 64 CD GLN A 5 4.804 -3.224 -20.936 1.00 0.00 C ATOM 65 OE1 GLN A 5 4.439 -3.605 -22.052 1.00 0.00 O ATOM 66 NE2 GLN A 5 5.976 -2.634 -20.730 1.00 0.00 N ATOM 0 H GLN A 5 2.162 -5.544 -19.239 1.00 0.00 H new ATOM 0 HA GLN A 5 1.856 -3.017 -18.014 1.00 0.00 H new ATOM 0 HB2 GLN A 5 2.207 -3.954 -20.883 1.00 0.00 H new ATOM 0 HB3 GLN A 5 2.244 -2.267 -20.409 1.00 0.00 H new ATOM 0 HG2 GLN A 5 4.181 -2.667 -18.966 1.00 0.00 H new ATOM 0 HG3 GLN A 5 4.104 -4.389 -19.282 1.00 0.00 H new ATOM 0 HE21 GLN A 5 6.238 -2.335 -19.791 1.00 0.00 H new ATOM 0 HE22 GLN A 5 6.614 -2.480 -21.511 1.00 0.00 H new ATOM 75 N LYS A 6 -0.672 -4.012 -19.889 1.00 0.00 N ATOM 76 CA LYS A 6 -2.079 -3.743 -20.171 1.00 0.00 C ATOM 77 C LYS A 6 -2.886 -3.694 -18.882 1.00 0.00 C ATOM 78 O LYS A 6 -3.773 -2.849 -18.755 1.00 0.00 O ATOM 79 CB LYS A 6 -2.650 -4.801 -21.111 1.00 0.00 C ATOM 80 CG LYS A 6 -2.137 -4.715 -22.543 1.00 0.00 C ATOM 81 CD LYS A 6 -2.713 -5.825 -23.408 1.00 0.00 C ATOM 82 CE LYS A 6 -2.185 -5.743 -24.834 1.00 0.00 C ATOM 83 NZ LYS A 6 -2.737 -6.827 -25.694 1.00 0.00 N ATOM 0 H LYS A 6 -0.328 -4.886 -20.286 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.147 -2.771 -20.659 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.415 -5.788 -20.713 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.736 -4.712 -21.121 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -2.401 -3.747 -22.968 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -1.049 -4.778 -22.545 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.458 -6.794 -22.978 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.801 -5.756 -23.416 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.443 -4.774 -25.261 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.097 -5.807 -24.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -2.353 -6.736 -26.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.470 -7.752 -25.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.774 -6.751 -25.726 1.00 0.00 H new ATOM 97 N ARG A 7 -2.589 -4.596 -17.943 1.00 0.00 N ATOM 98 CA ARG A 7 -3.227 -4.552 -16.637 1.00 0.00 C ATOM 99 C ARG A 7 -2.894 -3.250 -15.944 1.00 0.00 C ATOM 100 O ARG A 7 -3.774 -2.661 -15.323 1.00 0.00 O ATOM 101 CB ARG A 7 -2.821 -5.719 -15.748 1.00 0.00 C ATOM 102 CG ARG A 7 -3.381 -5.613 -14.336 1.00 0.00 C ATOM 103 CD ARG A 7 -4.867 -5.623 -14.274 1.00 0.00 C ATOM 104 NE ARG A 7 -5.311 -5.365 -12.912 1.00 0.00 N ATOM 105 CZ ARG A 7 -5.579 -6.261 -11.942 1.00 0.00 C ATOM 106 NH1 ARG A 7 -5.507 -7.555 -12.149 1.00 0.00 N ATOM 107 NH2 ARG A 7 -5.920 -5.765 -10.765 1.00 0.00 N ATOM 0 H ARG A 7 -1.918 -5.355 -18.066 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.301 -4.626 -16.804 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.164 -6.650 -16.200 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -1.733 -5.770 -15.699 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.997 -6.441 -13.740 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.014 -4.694 -13.878 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -5.272 -4.867 -14.947 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -5.247 -6.587 -14.612 1.00 0.00 H new ATOM 0 HE ARG A 7 -5.435 -4.384 -12.661 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -5.241 -7.911 -13.067 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -5.717 -8.205 -11.392 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -5.968 -4.755 -10.632 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -6.135 -6.392 -9.990 1.00 0.00 H new ATOM 121 N LEU A 8 -1.645 -2.803 -16.035 1.00 0.00 N ATOM 122 CA LEU A 8 -1.304 -1.540 -15.411 1.00 0.00 C ATOM 123 C LEU A 8 -1.976 -0.361 -16.077 1.00 0.00 C ATOM 124 O LEU A 8 -2.251 0.624 -15.395 1.00 0.00 O ATOM 125 CB LEU A 8 0.197 -1.324 -15.411 1.00 0.00 C ATOM 126 CG LEU A 8 0.894 -2.318 -14.507 1.00 0.00 C ATOM 127 CD1 LEU A 8 2.392 -2.075 -14.550 1.00 0.00 C ATOM 128 CD2 LEU A 8 0.255 -2.184 -13.147 1.00 0.00 C ATOM 0 H LEU A 8 -0.882 -3.279 -16.516 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.669 -1.600 -14.386 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.581 -1.421 -16.427 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.421 -0.310 -15.081 1.00 0.00 H new ATOM 0 HG LEU A 8 0.777 -3.355 -14.823 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.895 -2.790 -13.899 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.751 -2.198 -15.572 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.606 -1.062 -14.210 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.724 -2.883 -12.454 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.388 -1.166 -12.781 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.809 -2.406 -13.222 1.00 0.00 H new ATOM 140 N GLN A 9 -2.226 -0.435 -17.384 1.00 0.00 N ATOM 141 CA GLN A 9 -2.959 0.623 -18.059 1.00 0.00 C ATOM 142 C GLN A 9 -4.366 0.675 -17.485 1.00 0.00 C ATOM 143 O GLN A 9 -4.900 1.763 -17.273 1.00 0.00 O ATOM 144 CB GLN A 9 -2.998 0.385 -19.569 1.00 0.00 C ATOM 145 CG GLN A 9 -1.662 0.563 -20.269 1.00 0.00 C ATOM 146 CD GLN A 9 -1.725 0.179 -21.735 1.00 0.00 C ATOM 147 OE1 GLN A 9 -2.561 -0.631 -22.146 1.00 0.00 O ATOM 148 NE2 GLN A 9 -0.840 0.761 -22.535 1.00 0.00 N ATOM 0 H GLN A 9 -1.935 -1.206 -17.985 1.00 0.00 H new ATOM 0 HA GLN A 9 -2.458 1.577 -17.896 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -3.360 -0.626 -19.756 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -3.721 1.069 -20.013 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -1.344 1.602 -20.181 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -0.908 -0.045 -19.768 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -0.166 1.425 -22.153 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -0.834 0.544 -23.532 1.00 0.00 H new ATOM 157 N LYS A 10 -4.956 -0.495 -17.236 1.00 0.00 N ATOM 158 CA LYS A 10 -6.273 -0.575 -16.622 1.00 0.00 C ATOM 159 C LYS A 10 -6.250 -0.028 -15.195 1.00 0.00 C ATOM 160 O LYS A 10 -7.208 0.629 -14.784 1.00 0.00 O ATOM 161 CB LYS A 10 -6.761 -2.022 -16.628 1.00 0.00 C ATOM 162 CG LYS A 10 -7.104 -2.554 -18.010 1.00 0.00 C ATOM 163 CD LYS A 10 -7.536 -4.010 -17.951 1.00 0.00 C ATOM 164 CE LYS A 10 -7.863 -4.541 -19.339 1.00 0.00 C ATOM 165 NZ LYS A 10 -8.266 -5.974 -19.307 1.00 0.00 N ATOM 0 H LYS A 10 -4.538 -1.400 -17.452 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.961 0.038 -17.204 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.992 -2.656 -16.187 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.642 -2.100 -15.991 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.903 -1.953 -18.445 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.238 -2.456 -18.665 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.742 -4.610 -17.506 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.409 -4.108 -17.306 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.667 -3.948 -19.774 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.994 -4.423 -19.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.480 -6.296 -20.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.489 -6.544 -18.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.111 -6.084 -18.710 1.00 0.00 H new ATOM 179 N GLU A 11 -5.166 -0.292 -14.455 1.00 0.00 N ATOM 180 CA GLU A 11 -5.015 0.210 -13.093 1.00 0.00 C ATOM 181 C GLU A 11 -4.892 1.718 -13.086 1.00 0.00 C ATOM 182 O GLU A 11 -5.458 2.370 -12.211 1.00 0.00 O ATOM 183 CB GLU A 11 -3.765 -0.375 -12.425 1.00 0.00 C ATOM 184 CG GLU A 11 -3.815 -1.857 -12.102 1.00 0.00 C ATOM 185 CD GLU A 11 -4.846 -2.186 -11.073 1.00 0.00 C ATOM 186 OE1 GLU A 11 -4.856 -1.546 -10.052 1.00 0.00 O ATOM 187 OE2 GLU A 11 -5.628 -3.077 -11.303 1.00 0.00 O ATOM 0 H GLU A 11 -4.380 -0.853 -14.783 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.904 -0.094 -12.540 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.911 -0.194 -13.077 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.582 0.172 -11.500 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.025 -2.417 -13.013 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.837 -2.181 -11.747 1.00 0.00 H new ATOM 194 N LEU A 12 -4.164 2.249 -14.065 1.00 0.00 N ATOM 195 CA LEU A 12 -3.985 3.676 -14.245 1.00 0.00 C ATOM 196 C LEU A 12 -5.319 4.333 -14.498 1.00 0.00 C ATOM 197 O LEU A 12 -5.630 5.332 -13.854 1.00 0.00 O ATOM 198 CB LEU A 12 -3.033 3.959 -15.403 1.00 0.00 C ATOM 199 CG LEU A 12 -2.830 5.440 -15.722 1.00 0.00 C ATOM 200 CD1 LEU A 12 -2.233 6.130 -14.503 1.00 0.00 C ATOM 201 CD2 LEU A 12 -1.920 5.564 -16.932 1.00 0.00 C ATOM 0 H LEU A 12 -3.677 1.686 -14.763 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.550 4.088 -13.335 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.064 3.515 -15.174 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.410 3.459 -16.295 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.780 5.920 -15.957 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.084 7.188 -14.720 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.912 6.025 -13.657 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.275 5.671 -14.258 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.769 6.618 -17.167 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.958 5.100 -16.713 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.379 5.064 -17.785 1.00 0.00 H new ATOM 213 N LEU A 13 -6.087 3.772 -15.428 1.00 0.00 N ATOM 214 CA LEU A 13 -7.401 4.295 -15.753 1.00 0.00 C ATOM 215 C LEU A 13 -8.332 4.254 -14.553 1.00 0.00 C ATOM 216 O LEU A 13 -9.122 5.180 -14.378 1.00 0.00 O ATOM 217 CB LEU A 13 -8.000 3.478 -16.900 1.00 0.00 C ATOM 218 CG LEU A 13 -7.324 3.663 -18.263 1.00 0.00 C ATOM 219 CD1 LEU A 13 -7.885 2.641 -19.242 1.00 0.00 C ATOM 220 CD2 LEU A 13 -7.572 5.082 -18.747 1.00 0.00 C ATOM 0 H LEU A 13 -5.816 2.951 -15.970 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.289 5.337 -16.052 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.957 2.422 -16.633 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.054 3.739 -16.998 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.248 3.506 -18.183 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.408 2.768 -20.214 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.689 1.635 -18.870 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.960 2.787 -19.344 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.095 5.224 -19.717 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.644 5.252 -18.842 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.155 5.789 -18.030 1.00 0.00 H new ATOM 232 N ALA A 14 -8.259 3.196 -13.743 1.00 0.00 N ATOM 233 CA ALA A 14 -9.067 3.113 -12.535 1.00 0.00 C ATOM 234 C ALA A 14 -8.700 4.230 -11.564 1.00 0.00 C ATOM 235 O ALA A 14 -9.593 4.873 -11.012 1.00 0.00 O ATOM 236 CB ALA A 14 -8.882 1.758 -11.870 1.00 0.00 C ATOM 0 H ALA A 14 -7.652 2.392 -13.904 1.00 0.00 H new ATOM 0 HA ALA A 14 -10.114 3.229 -12.814 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.492 1.709 -10.968 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.188 0.970 -12.558 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -7.833 1.622 -11.607 1.00 0.00 H new ATOM 242 N LEU A 15 -7.400 4.465 -11.377 1.00 0.00 N ATOM 243 CA LEU A 15 -6.909 5.525 -10.504 1.00 0.00 C ATOM 244 C LEU A 15 -7.303 6.904 -11.021 1.00 0.00 C ATOM 245 O LEU A 15 -7.605 7.800 -10.237 1.00 0.00 O ATOM 246 CB LEU A 15 -5.378 5.426 -10.394 1.00 0.00 C ATOM 247 CG LEU A 15 -4.813 4.215 -9.627 1.00 0.00 C ATOM 248 CD1 LEU A 15 -3.301 4.145 -9.815 1.00 0.00 C ATOM 249 CD2 LEU A 15 -5.150 4.356 -8.153 1.00 0.00 C ATOM 0 H LEU A 15 -6.661 3.925 -11.827 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.363 5.396 -9.521 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.965 5.412 -11.403 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.013 6.333 -9.913 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.257 3.297 -10.012 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.906 3.287 -9.271 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.071 4.040 -10.875 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.844 5.058 -9.434 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.752 3.501 -7.606 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.708 5.273 -7.765 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.232 4.394 -8.029 1.00 0.00 H new ATOM 261 N GLN A 16 -7.285 7.088 -12.338 1.00 0.00 N ATOM 262 CA GLN A 16 -7.686 8.352 -12.936 1.00 0.00 C ATOM 263 C GLN A 16 -9.182 8.611 -12.821 1.00 0.00 C ATOM 264 O GLN A 16 -9.594 9.737 -12.540 1.00 0.00 O ATOM 265 CB GLN A 16 -7.278 8.385 -14.411 1.00 0.00 C ATOM 266 CG GLN A 16 -5.780 8.478 -14.651 1.00 0.00 C ATOM 267 CD GLN A 16 -5.430 8.405 -16.124 1.00 0.00 C ATOM 268 OE1 GLN A 16 -6.194 7.876 -16.935 1.00 0.00 O ATOM 269 NE2 GLN A 16 -4.270 8.944 -16.479 1.00 0.00 N ATOM 0 H GLN A 16 -6.997 6.376 -13.009 1.00 0.00 H new ATOM 0 HA GLN A 16 -7.174 9.139 -12.382 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -7.656 7.487 -14.899 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -7.763 9.236 -14.890 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -5.405 9.414 -14.236 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -5.278 7.670 -14.120 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.669 9.371 -15.774 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -3.980 8.931 -17.457 1.00 0.00 H new ATOM 278 N ASN A 17 -9.995 7.583 -13.045 1.00 0.00 N ATOM 279 CA ASN A 17 -11.438 7.735 -12.950 1.00 0.00 C ATOM 280 C ASN A 17 -11.927 7.923 -11.522 1.00 0.00 C ATOM 281 O ASN A 17 -12.830 8.725 -11.278 1.00 0.00 O ATOM 282 CB ASN A 17 -12.121 6.539 -13.580 1.00 0.00 C ATOM 283 CG ASN A 17 -12.022 6.555 -15.079 1.00 0.00 C ATOM 284 OD1 ASN A 17 -11.787 7.603 -15.691 1.00 0.00 O ATOM 285 ND2 ASN A 17 -12.201 5.410 -15.686 1.00 0.00 N ATOM 0 H ASN A 17 -9.680 6.645 -13.291 1.00 0.00 H new ATOM 0 HA ASN A 17 -11.698 8.645 -13.490 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -11.672 5.623 -13.197 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -13.171 6.526 -13.287 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.149 5.358 -16.703 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -12.393 4.569 -15.142 1.00 0.00 H new ATOM 292 N ASP A 18 -11.348 7.187 -10.581 1.00 0.00 N ATOM 293 CA ASP A 18 -11.742 7.317 -9.191 1.00 0.00 C ATOM 294 C ASP A 18 -10.591 6.903 -8.277 1.00 0.00 C ATOM 295 O ASP A 18 -10.554 5.738 -7.880 1.00 0.00 O ATOM 296 CB ASP A 18 -12.977 6.452 -8.918 1.00 0.00 C ATOM 297 CG ASP A 18 -13.557 6.631 -7.522 1.00 0.00 C ATOM 298 OD1 ASP A 18 -12.986 7.359 -6.747 1.00 0.00 O ATOM 299 OD2 ASP A 18 -14.570 6.033 -7.243 1.00 0.00 O ATOM 0 H ASP A 18 -10.612 6.502 -10.756 1.00 0.00 H new ATOM 0 HA ASP A 18 -11.989 8.359 -8.987 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -13.745 6.690 -9.654 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -12.713 5.404 -9.060 1.00 0.00 H new ATOM 304 N PRO A 19 -9.679 7.817 -7.917 1.00 0.00 N ATOM 305 CA PRO A 19 -8.528 7.555 -7.081 1.00 0.00 C ATOM 306 C PRO A 19 -8.931 7.293 -5.633 1.00 0.00 C ATOM 307 O PRO A 19 -9.979 7.761 -5.190 1.00 0.00 O ATOM 308 CB PRO A 19 -7.736 8.860 -7.244 1.00 0.00 C ATOM 309 CG PRO A 19 -8.775 9.901 -7.562 1.00 0.00 C ATOM 310 CD PRO A 19 -9.848 9.202 -8.373 1.00 0.00 C ATOM 0 HA PRO A 19 -7.964 6.664 -7.356 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.192 9.109 -6.333 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.999 8.779 -8.043 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.193 10.324 -6.649 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.338 10.726 -8.125 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -10.845 9.589 -8.160 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -9.688 9.306 -9.446 1.00 0.00 H new ATOM 318 N PRO A 20 -8.105 6.576 -4.873 1.00 0.00 N ATOM 319 CA PRO A 20 -8.396 6.204 -3.509 1.00 0.00 C ATOM 320 C PRO A 20 -8.412 7.362 -2.505 1.00 0.00 C ATOM 321 O PRO A 20 -7.458 8.141 -2.470 1.00 0.00 O ATOM 322 CB PRO A 20 -7.231 5.236 -3.245 1.00 0.00 C ATOM 323 CG PRO A 20 -6.142 5.598 -4.224 1.00 0.00 C ATOM 324 CD PRO A 20 -6.833 6.139 -5.449 1.00 0.00 C ATOM 0 HA PRO A 20 -9.400 5.798 -3.384 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -6.876 5.328 -2.219 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -7.547 4.202 -3.382 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -5.468 6.342 -3.798 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -5.538 4.726 -4.473 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -6.282 6.961 -5.906 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -6.967 5.378 -6.218 1.00 0.00 H new ATOM 332 N PRO A 21 -9.484 7.499 -1.708 1.00 0.00 N ATOM 333 CA PRO A 21 -9.622 8.490 -0.662 1.00 0.00 C ATOM 334 C PRO A 21 -8.474 8.466 0.328 1.00 0.00 C ATOM 335 O PRO A 21 -8.107 7.413 0.849 1.00 0.00 O ATOM 336 CB PRO A 21 -10.941 8.054 -0.016 1.00 0.00 C ATOM 337 CG PRO A 21 -11.698 7.391 -1.132 1.00 0.00 C ATOM 338 CD PRO A 21 -10.661 6.649 -1.938 1.00 0.00 C ATOM 0 HA PRO A 21 -9.613 9.516 -1.029 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.770 7.367 0.813 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -11.489 8.907 0.385 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -12.454 6.709 -0.742 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -12.218 8.127 -1.745 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -10.512 5.629 -1.583 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.925 6.584 -2.993 1.00 0.00 H new ATOM 346 N GLY A 22 -7.929 9.647 0.600 1.00 0.00 N ATOM 347 CA GLY A 22 -6.801 9.796 1.508 1.00 0.00 C ATOM 348 C GLY A 22 -5.467 9.733 0.768 1.00 0.00 C ATOM 349 O GLY A 22 -4.410 9.961 1.360 1.00 0.00 O ATOM 0 H GLY A 22 -8.257 10.525 0.198 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.881 10.747 2.034 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.836 9.011 2.263 1.00 0.00 H new ATOM 353 N MET A 23 -5.490 9.395 -0.523 1.00 0.00 N ATOM 354 CA MET A 23 -4.244 9.326 -1.263 1.00 0.00 C ATOM 355 C MET A 23 -4.087 10.485 -2.250 1.00 0.00 C ATOM 356 O MET A 23 -5.075 10.970 -2.805 1.00 0.00 O ATOM 357 CB MET A 23 -4.188 8.004 -2.010 1.00 0.00 C ATOM 358 CG MET A 23 -4.400 6.774 -1.132 1.00 0.00 C ATOM 359 SD MET A 23 -3.125 6.514 0.105 1.00 0.00 S ATOM 360 CE MET A 23 -1.724 5.974 -0.860 1.00 0.00 C ATOM 0 H MET A 23 -6.330 9.173 -1.057 1.00 0.00 H new ATOM 0 HA MET A 23 -3.424 9.400 -0.549 1.00 0.00 H new ATOM 0 HB2 MET A 23 -4.946 8.011 -2.793 1.00 0.00 H new ATOM 0 HB3 MET A 23 -3.220 7.920 -2.504 1.00 0.00 H new ATOM 0 HG2 MET A 23 -5.363 6.863 -0.630 1.00 0.00 H new ATOM 0 HG3 MET A 23 -4.454 5.892 -1.771 1.00 0.00 H new ATOM 0 HE1 MET A 23 -1.354 5.027 -0.466 1.00 0.00 H new ATOM 0 HE2 MET A 23 -2.027 5.841 -1.899 1.00 0.00 H new ATOM 0 HE3 MET A 23 -0.934 6.723 -0.805 1.00 0.00 H new ATOM 370 N THR A 24 -2.846 10.918 -2.470 1.00 0.00 N ATOM 371 CA THR A 24 -2.536 11.967 -3.443 1.00 0.00 C ATOM 372 C THR A 24 -1.501 11.436 -4.416 1.00 0.00 C ATOM 373 O THR A 24 -0.337 11.240 -4.069 1.00 0.00 O ATOM 374 CB THR A 24 -2.002 13.258 -2.794 1.00 0.00 C ATOM 375 OG1 THR A 24 -2.973 13.792 -1.883 1.00 0.00 O ATOM 376 CG2 THR A 24 -1.691 14.283 -3.874 1.00 0.00 C ATOM 0 H THR A 24 -2.029 10.553 -1.981 1.00 0.00 H new ATOM 0 HA THR A 24 -3.466 12.227 -3.949 1.00 0.00 H new ATOM 0 HB THR A 24 -1.091 13.027 -2.242 1.00 0.00 H new ATOM 0 HG1 THR A 24 -2.623 14.611 -1.475 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.313 15.195 -3.412 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.938 13.881 -4.551 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.599 14.509 -4.434 1.00 0.00 H new ATOM 384 N LEU A 25 -1.910 11.205 -5.656 1.00 0.00 N ATOM 385 CA LEU A 25 -0.979 10.612 -6.606 1.00 0.00 C ATOM 386 C LEU A 25 -0.027 11.651 -7.169 1.00 0.00 C ATOM 387 O LEU A 25 -0.451 12.707 -7.643 1.00 0.00 O ATOM 388 CB LEU A 25 -1.768 9.925 -7.728 1.00 0.00 C ATOM 389 CG LEU A 25 -2.330 8.532 -7.389 1.00 0.00 C ATOM 390 CD1 LEU A 25 -3.433 8.642 -6.338 1.00 0.00 C ATOM 391 CD2 LEU A 25 -2.876 7.896 -8.654 1.00 0.00 C ATOM 0 H LEU A 25 -2.842 11.409 -6.018 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.372 9.870 -6.087 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.597 10.572 -8.013 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.120 9.834 -8.600 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.532 7.911 -6.982 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.819 7.648 -6.110 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.028 9.091 -5.431 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.240 9.266 -6.722 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.276 6.909 -8.422 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.669 8.522 -9.063 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.076 7.800 -9.388 1.00 0.00 H new ATOM 403 N ASN A 26 1.265 11.337 -7.114 1.00 0.00 N ATOM 404 CA ASN A 26 2.298 12.236 -7.603 1.00 0.00 C ATOM 405 C ASN A 26 2.745 11.894 -9.018 1.00 0.00 C ATOM 406 O ASN A 26 2.595 10.763 -9.480 1.00 0.00 O ATOM 407 CB ASN A 26 3.472 12.257 -6.643 1.00 0.00 C ATOM 408 CG ASN A 26 3.088 12.908 -5.342 1.00 0.00 C ATOM 409 OD1 ASN A 26 2.314 13.872 -5.348 1.00 0.00 O ATOM 410 ND2 ASN A 26 3.606 12.426 -4.243 1.00 0.00 N ATOM 0 H ASN A 26 1.619 10.460 -6.732 1.00 0.00 H new ATOM 0 HA ASN A 26 1.867 13.236 -7.651 1.00 0.00 H new ATOM 0 HB2 ASN A 26 3.814 11.239 -6.458 1.00 0.00 H new ATOM 0 HB3 ASN A 26 4.305 12.797 -7.093 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.376 12.847 -3.343 1.00 0.00 H new ATOM 0 HD22 ASN A 26 4.241 11.629 -4.285 1.00 0.00 H new ATOM 542 N THR A 35 5.272 0.855 -14.694 1.00 0.00 N ATOM 543 CA THR A 35 5.824 -0.061 -13.705 1.00 0.00 C ATOM 544 C THR A 35 6.050 0.549 -12.324 1.00 0.00 C ATOM 545 O THR A 35 5.933 -0.150 -11.321 1.00 0.00 O ATOM 546 CB THR A 35 7.174 -0.639 -14.161 1.00 0.00 C ATOM 547 OG1 THR A 35 7.011 -1.385 -15.376 1.00 0.00 O ATOM 548 CG2 THR A 35 7.715 -1.552 -13.072 1.00 0.00 C ATOM 0 HA THR A 35 5.059 -0.833 -13.621 1.00 0.00 H new ATOM 0 HB THR A 35 7.872 0.178 -14.343 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.322 -0.962 -15.930 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.673 -1.966 -13.387 1.00 0.00 H new ATOM 0 HG22 THR A 35 7.851 -0.981 -12.153 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.009 -2.364 -12.894 1.00 0.00 H new ATOM 556 N GLN A 36 6.446 1.822 -12.235 1.00 0.00 N ATOM 557 CA GLN A 36 6.741 2.358 -10.909 1.00 0.00 C ATOM 558 C GLN A 36 6.181 3.759 -10.638 1.00 0.00 C ATOM 559 O GLN A 36 6.296 4.657 -11.471 1.00 0.00 O ATOM 560 CB GLN A 36 8.259 2.333 -10.722 1.00 0.00 C ATOM 561 CG GLN A 36 8.773 2.783 -9.368 1.00 0.00 C ATOM 562 CD GLN A 36 10.280 2.629 -9.268 1.00 0.00 C ATOM 563 OE1 GLN A 36 10.840 1.586 -9.621 1.00 0.00 O ATOM 564 NE2 GLN A 36 10.954 3.671 -8.794 1.00 0.00 N ATOM 0 H GLN A 36 6.564 2.466 -13.017 1.00 0.00 H new ATOM 0 HA GLN A 36 6.233 1.724 -10.182 1.00 0.00 H new ATOM 0 HB2 GLN A 36 8.610 1.317 -10.901 1.00 0.00 H new ATOM 0 HB3 GLN A 36 8.709 2.965 -11.487 1.00 0.00 H new ATOM 0 HG2 GLN A 36 8.501 3.825 -9.202 1.00 0.00 H new ATOM 0 HG3 GLN A 36 8.293 2.199 -8.583 1.00 0.00 H new ATOM 0 HE21 GLN A 36 10.456 4.515 -8.513 1.00 0.00 H new ATOM 0 HE22 GLN A 36 11.970 3.627 -8.711 1.00 0.00 H new ATOM 573 N TRP A 37 5.577 3.947 -9.457 1.00 0.00 N ATOM 574 CA TRP A 37 4.985 5.250 -9.132 1.00 0.00 C ATOM 575 C TRP A 37 4.924 5.602 -7.643 1.00 0.00 C ATOM 576 O TRP A 37 5.002 4.754 -6.756 1.00 0.00 O ATOM 577 CB TRP A 37 3.581 5.301 -9.746 1.00 0.00 C ATOM 578 CG TRP A 37 2.624 4.270 -9.224 1.00 0.00 C ATOM 579 CD1 TRP A 37 2.644 2.960 -9.584 1.00 0.00 C ATOM 580 CD2 TRP A 37 1.488 4.416 -8.326 1.00 0.00 C ATOM 581 NE1 TRP A 37 1.632 2.285 -8.959 1.00 0.00 N ATOM 582 CE2 TRP A 37 0.912 3.150 -8.192 1.00 0.00 C ATOM 583 CE3 TRP A 37 0.908 5.494 -7.642 1.00 0.00 C ATOM 584 CZ2 TRP A 37 -0.197 2.915 -7.400 1.00 0.00 C ATOM 585 CZ3 TRP A 37 -0.218 5.245 -6.859 1.00 0.00 C ATOM 586 CH2 TRP A 37 -0.756 3.995 -6.735 1.00 0.00 C ATOM 0 H TRP A 37 5.487 3.237 -8.731 1.00 0.00 H new ATOM 0 HA TRP A 37 5.650 6.003 -9.554 1.00 0.00 H new ATOM 0 HB2 TRP A 37 3.159 6.290 -9.569 1.00 0.00 H new ATOM 0 HB3 TRP A 37 3.668 5.181 -10.826 1.00 0.00 H new ATOM 0 HD1 TRP A 37 3.356 2.516 -10.265 1.00 0.00 H new ATOM 0 HE1 TRP A 37 1.445 1.287 -9.053 1.00 0.00 H new ATOM 0 HE3 TRP A 37 1.322 6.489 -7.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -0.614 1.923 -7.303 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.680 6.067 -6.333 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -1.626 3.847 -6.112 1.00 0.00 H new ATOM 597 N ILE A 38 4.753 6.897 -7.386 1.00 0.00 N ATOM 598 CA ILE A 38 4.745 7.475 -6.044 1.00 0.00 C ATOM 599 C ILE A 38 3.439 8.153 -5.654 1.00 0.00 C ATOM 600 O ILE A 38 2.856 8.889 -6.454 1.00 0.00 O ATOM 601 CB ILE A 38 5.895 8.489 -5.892 1.00 0.00 C ATOM 602 CG1 ILE A 38 7.234 7.777 -6.066 1.00 0.00 C ATOM 603 CG2 ILE A 38 5.836 9.160 -4.534 1.00 0.00 C ATOM 604 CD1 ILE A 38 8.418 8.708 -6.165 1.00 0.00 C ATOM 0 H ILE A 38 4.613 7.589 -8.122 1.00 0.00 H new ATOM 0 HA ILE A 38 4.872 6.628 -5.370 1.00 0.00 H new ATOM 0 HB ILE A 38 5.792 9.256 -6.660 1.00 0.00 H new ATOM 0 HG12 ILE A 38 7.386 7.101 -5.224 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.192 7.162 -6.965 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.656 9.873 -4.444 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.886 9.684 -4.428 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.924 8.406 -3.752 1.00 0.00 H new ATOM 0 HD11 ILE A 38 9.331 8.124 -6.287 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.291 9.367 -7.024 1.00 0.00 H new ATOM 0 HD13 ILE A 38 8.488 9.305 -5.256 1.00 0.00 H new ATOM 616 N VAL A 39 2.987 7.871 -4.432 1.00 0.00 N ATOM 617 CA VAL A 39 1.744 8.434 -3.924 1.00 0.00 C ATOM 618 C VAL A 39 1.777 8.740 -2.426 1.00 0.00 C ATOM 619 O VAL A 39 2.346 7.991 -1.632 1.00 0.00 O ATOM 620 CB VAL A 39 0.639 7.427 -4.228 1.00 0.00 C ATOM 621 CG1 VAL A 39 0.944 6.153 -3.475 1.00 0.00 C ATOM 622 CG2 VAL A 39 -0.729 7.944 -3.860 1.00 0.00 C ATOM 0 H VAL A 39 3.467 7.254 -3.777 1.00 0.00 H new ATOM 0 HA VAL A 39 1.573 9.393 -4.413 1.00 0.00 H new ATOM 0 HB VAL A 39 0.617 7.245 -5.302 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.167 5.416 -3.677 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.908 5.761 -3.799 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.978 6.362 -2.406 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.479 7.189 -4.096 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.760 8.164 -2.793 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.938 8.853 -4.424 1.00 0.00 H new ATOM 632 N ASP A 40 1.153 9.844 -2.031 1.00 0.00 N ATOM 633 CA ASP A 40 1.124 10.230 -0.629 1.00 0.00 C ATOM 634 C ASP A 40 -0.126 9.706 0.064 1.00 0.00 C ATOM 635 O ASP A 40 -1.169 9.544 -0.560 1.00 0.00 O ATOM 636 CB ASP A 40 1.215 11.749 -0.508 1.00 0.00 C ATOM 637 CG ASP A 40 2.580 12.241 -0.957 1.00 0.00 C ATOM 638 OD1 ASP A 40 3.536 11.549 -0.712 1.00 0.00 O ATOM 639 OD2 ASP A 40 2.667 13.279 -1.569 1.00 0.00 O ATOM 0 H ASP A 40 0.664 10.482 -2.659 1.00 0.00 H new ATOM 0 HA ASP A 40 1.984 9.783 -0.131 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.438 12.215 -1.114 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.036 12.048 0.525 1.00 0.00 H new ATOM 644 N MET A 41 -0.021 9.458 1.364 1.00 0.00 N ATOM 645 CA MET A 41 -1.122 8.961 2.179 1.00 0.00 C ATOM 646 C MET A 41 -1.354 9.796 3.424 1.00 0.00 C ATOM 647 O MET A 41 -0.423 10.045 4.178 1.00 0.00 O ATOM 648 CB MET A 41 -0.821 7.536 2.625 1.00 0.00 C ATOM 649 CG MET A 41 -1.883 6.893 3.498 1.00 0.00 C ATOM 650 SD MET A 41 -1.421 5.220 3.985 1.00 0.00 S ATOM 651 CE MET A 41 -1.434 4.428 2.386 1.00 0.00 C ATOM 0 H MET A 41 0.843 9.598 1.888 1.00 0.00 H new ATOM 0 HA MET A 41 -2.017 9.010 1.559 1.00 0.00 H new ATOM 0 HB2 MET A 41 -0.679 6.918 1.739 1.00 0.00 H new ATOM 0 HB3 MET A 41 0.123 7.535 3.169 1.00 0.00 H new ATOM 0 HG2 MET A 41 -2.039 7.501 4.389 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.830 6.867 2.959 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.256 3.360 2.508 1.00 0.00 H new ATOM 0 HE2 MET A 41 -2.403 4.583 1.911 1.00 0.00 H new ATOM 0 HE3 MET A 41 -0.651 4.857 1.761 1.00 0.00 H new ATOM 661 N GLU A 42 -2.581 10.238 3.667 1.00 0.00 N ATOM 662 CA GLU A 42 -2.837 10.990 4.892 1.00 0.00 C ATOM 663 C GLU A 42 -3.601 10.111 5.876 1.00 0.00 C ATOM 664 O GLU A 42 -4.592 9.485 5.496 1.00 0.00 O ATOM 665 CB GLU A 42 -3.595 12.279 4.596 1.00 0.00 C ATOM 666 CG GLU A 42 -3.859 13.139 5.822 1.00 0.00 C ATOM 667 CD GLU A 42 -4.536 14.434 5.469 1.00 0.00 C ATOM 668 OE1 GLU A 42 -4.707 14.685 4.299 1.00 0.00 O ATOM 669 OE2 GLU A 42 -4.880 15.177 6.357 1.00 0.00 O ATOM 0 H GLU A 42 -3.388 10.098 3.059 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.885 11.274 5.341 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.028 12.863 3.871 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.548 12.029 4.129 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.481 12.585 6.526 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.916 13.349 6.327 1.00 0.00 H new ATOM 676 N GLY A 43 -3.137 10.042 7.124 1.00 0.00 N ATOM 677 CA GLY A 43 -3.806 9.200 8.110 1.00 0.00 C ATOM 678 C GLY A 43 -5.223 9.674 8.425 1.00 0.00 C ATOM 679 O GLY A 43 -5.504 10.870 8.535 1.00 0.00 O ATOM 0 H GLY A 43 -2.320 10.547 7.469 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.844 8.175 7.741 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.219 9.187 9.028 1.00 0.00 H new ATOM 683 N ALA A 44 -6.095 8.691 8.638 1.00 0.00 N ATOM 684 CA ALA A 44 -7.521 8.895 8.861 1.00 0.00 C ATOM 685 C ALA A 44 -7.884 9.576 10.196 1.00 0.00 C ATOM 686 O ALA A 44 -7.221 9.326 11.209 1.00 0.00 O ATOM 687 CB ALA A 44 -8.229 7.548 8.803 1.00 0.00 C ATOM 0 H ALA A 44 -5.822 7.709 8.660 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.845 9.575 8.074 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -9.297 7.691 8.969 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -8.071 7.096 7.824 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.827 6.892 9.575 1.00 0.00 H new ATOM 693 N PRO A 45 -8.925 10.428 10.200 1.00 0.00 N ATOM 694 CA PRO A 45 -9.460 11.101 11.365 1.00 0.00 C ATOM 695 C PRO A 45 -9.839 10.162 12.489 1.00 0.00 C ATOM 696 O PRO A 45 -10.525 9.161 12.274 1.00 0.00 O ATOM 697 CB PRO A 45 -10.685 11.801 10.771 1.00 0.00 C ATOM 698 CG PRO A 45 -10.316 12.042 9.339 1.00 0.00 C ATOM 699 CD PRO A 45 -9.512 10.840 8.915 1.00 0.00 C ATOM 0 HA PRO A 45 -8.739 11.766 11.841 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -11.577 11.180 10.853 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -10.899 12.736 11.289 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -11.206 12.156 8.720 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -9.735 12.958 9.234 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -10.135 10.060 8.477 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -8.751 11.092 8.176 1.00 0.00 H new ATOM 707 N GLY A 46 -9.403 10.501 13.696 1.00 0.00 N ATOM 708 CA GLY A 46 -9.699 9.695 14.867 1.00 0.00 C ATOM 709 C GLY A 46 -8.666 8.604 15.114 1.00 0.00 C ATOM 710 O GLY A 46 -8.758 7.898 16.120 1.00 0.00 O ATOM 0 H GLY A 46 -8.842 11.331 13.887 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.753 10.342 15.743 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.681 9.238 14.748 1.00 0.00 H new ATOM 714 N THR A 47 -7.686 8.446 14.221 1.00 0.00 N ATOM 715 CA THR A 47 -6.688 7.411 14.430 1.00 0.00 C ATOM 716 C THR A 47 -5.411 8.040 14.923 1.00 0.00 C ATOM 717 O THR A 47 -5.254 9.261 14.947 1.00 0.00 O ATOM 718 CB THR A 47 -6.323 6.648 13.149 1.00 0.00 C ATOM 719 OG1 THR A 47 -5.580 7.518 12.285 1.00 0.00 O ATOM 720 CG2 THR A 47 -7.600 6.216 12.450 1.00 0.00 C ATOM 0 H THR A 47 -7.568 9.004 13.375 1.00 0.00 H new ATOM 0 HA THR A 47 -7.126 6.715 15.146 1.00 0.00 H new ATOM 0 HB THR A 47 -5.723 5.771 13.393 1.00 0.00 H new ATOM 0 HG1 THR A 47 -6.117 8.312 12.080 1.00 0.00 H new ATOM 0 HG21 THR A 47 -7.350 5.673 11.539 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.176 5.569 13.112 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.192 7.096 12.197 1.00 0.00 H new ATOM 728 N LEU A 48 -4.459 7.178 15.245 1.00 0.00 N ATOM 729 CA LEU A 48 -3.153 7.590 15.727 1.00 0.00 C ATOM 730 C LEU A 48 -2.326 8.304 14.665 1.00 0.00 C ATOM 731 O LEU A 48 -1.311 8.917 14.997 1.00 0.00 O ATOM 732 CB LEU A 48 -2.371 6.360 16.197 1.00 0.00 C ATOM 733 CG LEU A 48 -2.929 5.632 17.421 1.00 0.00 C ATOM 734 CD1 LEU A 48 -2.111 4.368 17.652 1.00 0.00 C ATOM 735 CD2 LEU A 48 -2.871 6.557 18.627 1.00 0.00 C ATOM 0 H LEU A 48 -4.573 6.167 15.178 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.327 8.290 16.544 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.319 5.651 15.371 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.349 6.668 16.418 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.970 5.350 17.261 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.498 3.838 18.522 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.180 3.724 16.775 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.068 4.636 17.824 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.268 6.041 19.501 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.837 6.846 18.815 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.466 7.449 18.431 1.00 0.00 H new ATOM 747 N TYR A 49 -2.738 8.229 13.395 1.00 0.00 N ATOM 748 CA TYR A 49 -1.972 8.850 12.341 1.00 0.00 C ATOM 749 C TYR A 49 -2.745 10.016 11.730 1.00 0.00 C ATOM 750 O TYR A 49 -2.355 10.498 10.669 1.00 0.00 O ATOM 751 CB TYR A 49 -1.655 7.773 11.310 1.00 0.00 C ATOM 752 CG TYR A 49 -0.969 6.614 11.998 1.00 0.00 C ATOM 753 CD1 TYR A 49 0.385 6.600 12.306 1.00 0.00 C ATOM 754 CD2 TYR A 49 -1.765 5.536 12.349 1.00 0.00 C ATOM 755 CE1 TYR A 49 0.930 5.508 12.965 1.00 0.00 C ATOM 756 CE2 TYR A 49 -1.223 4.454 13.002 1.00 0.00 C ATOM 757 CZ TYR A 49 0.125 4.440 13.315 1.00 0.00 C ATOM 758 OH TYR A 49 0.610 3.339 13.980 1.00 0.00 O ATOM 0 H TYR A 49 -3.585 7.750 13.088 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.043 9.268 12.729 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -2.571 7.434 10.827 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.013 8.179 10.528 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.011 7.436 12.033 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.818 5.545 12.108 1.00 0.00 H new ATOM 0 HE1 TYR A 49 1.983 5.492 13.205 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -1.849 3.616 13.270 1.00 0.00 H new ATOM 0 HH TYR A 49 1.470 3.560 14.395 1.00 0.00 H new ATOM 768 N GLU A 50 -3.822 10.468 12.388 1.00 0.00 N ATOM 769 CA GLU A 50 -4.656 11.553 11.874 1.00 0.00 C ATOM 770 C GLU A 50 -3.942 12.803 11.401 1.00 0.00 C ATOM 771 O GLU A 50 -3.413 13.576 12.202 1.00 0.00 O ATOM 772 CB GLU A 50 -5.668 11.995 12.927 1.00 0.00 C ATOM 773 CG GLU A 50 -6.510 13.171 12.446 1.00 0.00 C ATOM 774 CD GLU A 50 -7.583 13.604 13.405 1.00 0.00 C ATOM 775 OE1 GLU A 50 -7.904 12.854 14.296 1.00 0.00 O ATOM 776 OE2 GLU A 50 -8.088 14.689 13.245 1.00 0.00 O ATOM 0 H GLU A 50 -4.134 10.093 13.284 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.113 11.103 10.993 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.321 11.159 13.177 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.143 12.274 13.841 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.851 14.017 12.252 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.975 12.904 11.497 1.00 0.00 H new ATOM 783 N GLY A 51 -3.938 12.997 10.082 1.00 0.00 N ATOM 784 CA GLY A 51 -3.330 14.174 9.475 1.00 0.00 C ATOM 785 C GLY A 51 -1.851 14.013 9.142 1.00 0.00 C ATOM 786 O GLY A 51 -1.252 14.906 8.543 1.00 0.00 O ATOM 0 H GLY A 51 -4.352 12.348 9.413 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.872 14.419 8.561 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.448 15.020 10.152 1.00 0.00 H new ATOM 790 N GLU A 52 -1.258 12.888 9.525 1.00 0.00 N ATOM 791 CA GLU A 52 0.149 12.654 9.261 1.00 0.00 C ATOM 792 C GLU A 52 0.276 12.157 7.843 1.00 0.00 C ATOM 793 O GLU A 52 -0.558 11.381 7.379 1.00 0.00 O ATOM 794 CB GLU A 52 0.725 11.642 10.250 1.00 0.00 C ATOM 795 CG GLU A 52 0.744 12.117 11.694 1.00 0.00 C ATOM 796 CD GLU A 52 1.324 11.107 12.641 1.00 0.00 C ATOM 797 OE1 GLU A 52 1.489 9.975 12.256 1.00 0.00 O ATOM 798 OE2 GLU A 52 1.613 11.474 13.756 1.00 0.00 O ATOM 0 H GLU A 52 -1.730 12.129 10.017 1.00 0.00 H new ATOM 0 HA GLU A 52 0.715 13.578 9.384 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.143 10.722 10.190 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.743 11.396 9.948 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.321 13.039 11.759 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.273 12.355 12.005 1.00 0.00 H new ATOM 805 N LYS A 53 1.303 12.602 7.131 1.00 0.00 N ATOM 806 CA LYS A 53 1.414 12.123 5.766 1.00 0.00 C ATOM 807 C LYS A 53 2.586 11.178 5.575 1.00 0.00 C ATOM 808 O LYS A 53 3.674 11.356 6.127 1.00 0.00 O ATOM 809 CB LYS A 53 1.454 13.299 4.801 1.00 0.00 C ATOM 810 CG LYS A 53 0.128 14.052 4.814 1.00 0.00 C ATOM 811 CD LYS A 53 0.075 15.183 3.803 1.00 0.00 C ATOM 812 CE LYS A 53 -1.274 15.887 3.864 1.00 0.00 C ATOM 813 NZ LYS A 53 -1.370 17.000 2.878 1.00 0.00 N ATOM 0 H LYS A 53 2.024 13.249 7.449 1.00 0.00 H new ATOM 0 HA LYS A 53 0.526 11.532 5.543 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.264 13.974 5.076 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.665 12.942 3.793 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.682 13.352 4.610 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.044 14.456 5.812 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.874 15.897 4.004 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.243 14.791 2.800 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.068 15.165 3.674 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.433 16.278 4.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.304 17.451 2.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.629 17.703 3.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.244 16.624 1.917 1.00 0.00 H new ATOM 827 N PHE A 54 2.315 10.158 4.772 1.00 0.00 N ATOM 828 CA PHE A 54 3.223 9.068 4.487 1.00 0.00 C ATOM 829 C PHE A 54 3.411 8.988 2.985 1.00 0.00 C ATOM 830 O PHE A 54 2.641 9.584 2.236 1.00 0.00 O ATOM 831 CB PHE A 54 2.550 7.801 5.009 1.00 0.00 C ATOM 832 CG PHE A 54 2.229 7.973 6.458 1.00 0.00 C ATOM 833 CD1 PHE A 54 3.221 7.965 7.417 1.00 0.00 C ATOM 834 CD2 PHE A 54 0.917 8.202 6.845 1.00 0.00 C ATOM 835 CE1 PHE A 54 2.909 8.172 8.742 1.00 0.00 C ATOM 836 CE2 PHE A 54 0.602 8.400 8.172 1.00 0.00 C ATOM 837 CZ PHE A 54 1.600 8.385 9.119 1.00 0.00 C ATOM 0 H PHE A 54 1.423 10.069 4.286 1.00 0.00 H new ATOM 0 HA PHE A 54 4.199 9.202 4.954 1.00 0.00 H new ATOM 0 HB2 PHE A 54 1.639 7.600 4.444 1.00 0.00 H new ATOM 0 HB3 PHE A 54 3.207 6.943 4.870 1.00 0.00 H new ATOM 0 HD1 PHE A 54 4.247 7.796 7.127 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.135 8.225 6.100 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.691 8.168 9.487 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.424 8.566 8.467 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.358 8.540 10.160 1.00 0.00 H new ATOM 847 N GLN A 55 4.427 8.283 2.518 1.00 0.00 N ATOM 848 CA GLN A 55 4.592 8.184 1.078 1.00 0.00 C ATOM 849 C GLN A 55 4.952 6.768 0.671 1.00 0.00 C ATOM 850 O GLN A 55 5.810 6.122 1.272 1.00 0.00 O ATOM 851 CB GLN A 55 5.640 9.186 0.601 1.00 0.00 C ATOM 852 CG GLN A 55 5.834 9.241 -0.899 1.00 0.00 C ATOM 853 CD GLN A 55 6.811 10.338 -1.283 1.00 0.00 C ATOM 854 OE1 GLN A 55 8.017 10.121 -1.432 1.00 0.00 O ATOM 855 NE2 GLN A 55 6.282 11.547 -1.433 1.00 0.00 N ATOM 0 H GLN A 55 5.120 7.792 3.083 1.00 0.00 H new ATOM 0 HA GLN A 55 3.644 8.428 0.598 1.00 0.00 H new ATOM 0 HB2 GLN A 55 5.359 10.179 0.953 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.594 8.941 1.067 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.203 8.280 -1.257 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.875 9.416 -1.387 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.280 11.685 -1.301 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.878 12.337 -1.680 1.00 0.00 H new ATOM 864 N LEU A 56 4.250 6.268 -0.337 1.00 0.00 N ATOM 865 CA LEU A 56 4.515 4.928 -0.820 1.00 0.00 C ATOM 866 C LEU A 56 5.033 4.900 -2.245 1.00 0.00 C ATOM 867 O LEU A 56 4.659 5.698 -3.108 1.00 0.00 O ATOM 868 CB LEU A 56 3.253 4.068 -0.745 1.00 0.00 C ATOM 869 CG LEU A 56 2.631 3.848 0.637 1.00 0.00 C ATOM 870 CD1 LEU A 56 1.340 3.066 0.459 1.00 0.00 C ATOM 871 CD2 LEU A 56 3.613 3.091 1.524 1.00 0.00 C ATOM 0 H LEU A 56 3.505 6.764 -0.827 1.00 0.00 H new ATOM 0 HA LEU A 56 5.293 4.527 -0.170 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.497 4.522 -1.386 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.485 3.091 -1.169 1.00 0.00 H new ATOM 0 HG LEU A 56 2.410 4.801 1.118 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.879 2.898 1.432 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.656 3.632 -0.173 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.558 2.106 -0.010 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.169 2.935 2.507 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.842 2.126 1.072 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.531 3.670 1.628 1.00 0.00 H new ATOM 883 N LEU A 57 5.919 3.942 -2.465 1.00 0.00 N ATOM 884 CA LEU A 57 6.512 3.675 -3.755 1.00 0.00 C ATOM 885 C LEU A 57 6.025 2.310 -4.213 1.00 0.00 C ATOM 886 O LEU A 57 6.183 1.301 -3.527 1.00 0.00 O ATOM 887 CB LEU A 57 8.040 3.741 -3.659 1.00 0.00 C ATOM 888 CG LEU A 57 8.812 3.417 -4.940 1.00 0.00 C ATOM 889 CD1 LEU A 57 8.488 4.457 -5.994 1.00 0.00 C ATOM 890 CD2 LEU A 57 10.302 3.423 -4.635 1.00 0.00 C ATOM 0 H LEU A 57 6.250 3.316 -1.731 1.00 0.00 H new ATOM 0 HA LEU A 57 6.214 4.425 -4.487 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.320 4.743 -3.335 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.364 3.051 -2.880 1.00 0.00 H new ATOM 0 HG LEU A 57 8.527 2.433 -5.313 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.036 4.231 -6.909 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.418 4.446 -6.200 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.777 5.444 -5.633 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.860 3.193 -5.543 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.594 4.407 -4.269 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.521 2.673 -3.875 1.00 0.00 H new ATOM 902 N PHE A 58 5.385 2.282 -5.368 1.00 0.00 N ATOM 903 CA PHE A 58 4.859 1.046 -5.912 1.00 0.00 C ATOM 904 C PHE A 58 5.641 0.592 -7.119 1.00 0.00 C ATOM 905 O PHE A 58 5.977 1.395 -7.985 1.00 0.00 O ATOM 906 CB PHE A 58 3.401 1.247 -6.296 1.00 0.00 C ATOM 907 CG PHE A 58 2.466 1.379 -5.135 1.00 0.00 C ATOM 908 CD1 PHE A 58 2.288 2.570 -4.451 1.00 0.00 C ATOM 909 CD2 PHE A 58 1.734 0.274 -4.742 1.00 0.00 C ATOM 910 CE1 PHE A 58 1.403 2.622 -3.390 1.00 0.00 C ATOM 911 CE2 PHE A 58 0.846 0.337 -3.688 1.00 0.00 C ATOM 912 CZ PHE A 58 0.685 1.516 -3.004 1.00 0.00 C ATOM 0 H PHE A 58 5.217 3.104 -5.948 1.00 0.00 H new ATOM 0 HA PHE A 58 4.946 0.274 -5.147 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.321 2.141 -6.914 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.081 0.405 -6.910 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.837 3.453 -4.745 1.00 0.00 H new ATOM 0 HD2 PHE A 58 1.860 -0.659 -5.272 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.273 3.551 -2.854 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.280 -0.537 -3.402 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.001 1.574 -2.171 1.00 0.00 H new ATOM 922 N LYS A 59 5.927 -0.705 -7.182 1.00 0.00 N ATOM 923 CA LYS A 59 6.645 -1.242 -8.327 1.00 0.00 C ATOM 924 C LYS A 59 6.077 -2.595 -8.746 1.00 0.00 C ATOM 925 O LYS A 59 5.863 -3.486 -7.925 1.00 0.00 O ATOM 926 CB LYS A 59 8.134 -1.348 -8.027 1.00 0.00 C ATOM 927 CG LYS A 59 8.953 -1.803 -9.223 1.00 0.00 C ATOM 928 CD LYS A 59 10.437 -1.803 -8.905 1.00 0.00 C ATOM 929 CE LYS A 59 11.253 -2.235 -10.113 1.00 0.00 C ATOM 930 NZ LYS A 59 12.711 -2.236 -9.820 1.00 0.00 N ATOM 0 H LYS A 59 5.678 -1.390 -6.468 1.00 0.00 H new ATOM 0 HA LYS A 59 6.513 -0.552 -9.161 1.00 0.00 H new ATOM 0 HB2 LYS A 59 8.501 -0.378 -7.691 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.284 -2.047 -7.205 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.642 -2.805 -9.520 1.00 0.00 H new ATOM 0 HG3 LYS A 59 8.760 -1.145 -10.070 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.745 -0.806 -8.591 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.634 -2.475 -8.070 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.943 -3.233 -10.423 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.050 -1.564 -10.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.235 -2.536 -10.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.011 -1.278 -9.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.908 -2.895 -9.040 1.00 0.00 H new ATOM 944 N PHE A 60 5.816 -2.771 -10.034 1.00 0.00 N ATOM 945 CA PHE A 60 5.220 -4.034 -10.441 1.00 0.00 C ATOM 946 C PHE A 60 6.182 -5.006 -11.103 1.00 0.00 C ATOM 947 O PHE A 60 7.148 -4.619 -11.760 1.00 0.00 O ATOM 948 CB PHE A 60 4.118 -3.739 -11.437 1.00 0.00 C ATOM 949 CG PHE A 60 3.057 -2.889 -10.822 1.00 0.00 C ATOM 950 CD1 PHE A 60 2.085 -3.393 -9.984 1.00 0.00 C ATOM 951 CD2 PHE A 60 3.057 -1.537 -11.090 1.00 0.00 C ATOM 952 CE1 PHE A 60 1.124 -2.561 -9.441 1.00 0.00 C ATOM 953 CE2 PHE A 60 2.109 -0.702 -10.554 1.00 0.00 C ATOM 954 CZ PHE A 60 1.135 -1.216 -9.728 1.00 0.00 C ATOM 0 H PHE A 60 5.995 -2.097 -10.778 1.00 0.00 H new ATOM 0 HA PHE A 60 4.866 -4.510 -9.527 1.00 0.00 H new ATOM 0 HB2 PHE A 60 4.535 -3.233 -12.308 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.682 -4.673 -11.790 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.074 -4.447 -9.750 1.00 0.00 H new ATOM 0 HD2 PHE A 60 3.819 -1.126 -11.735 1.00 0.00 H new ATOM 0 HE1 PHE A 60 0.364 -2.968 -8.791 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.127 0.354 -10.779 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.383 -0.566 -9.307 1.00 0.00 H new ATOM 964 N SER A 61 5.900 -6.288 -10.893 1.00 0.00 N ATOM 965 CA SER A 61 6.666 -7.379 -11.476 1.00 0.00 C ATOM 966 C SER A 61 6.128 -7.684 -12.856 1.00 0.00 C ATOM 967 O SER A 61 5.057 -7.203 -13.213 1.00 0.00 O ATOM 968 CB SER A 61 6.572 -8.627 -10.623 1.00 0.00 C ATOM 969 OG SER A 61 5.277 -9.166 -10.646 1.00 0.00 O ATOM 0 H SER A 61 5.125 -6.599 -10.307 1.00 0.00 H new ATOM 0 HA SER A 61 7.711 -7.074 -11.533 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.284 -9.370 -10.983 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.851 -8.390 -9.596 1.00 0.00 H new ATOM 0 HG SER A 61 4.976 -9.334 -9.729 1.00 0.00 H new ATOM 975 N SER A 62 6.867 -8.483 -13.622 1.00 0.00 N ATOM 976 CA SER A 62 6.422 -8.907 -14.945 1.00 0.00 C ATOM 977 C SER A 62 5.310 -9.950 -14.842 1.00 0.00 C ATOM 978 O SER A 62 4.528 -10.133 -15.775 1.00 0.00 O ATOM 979 CB SER A 62 7.587 -9.481 -15.723 1.00 0.00 C ATOM 980 OG SER A 62 8.030 -10.677 -15.140 1.00 0.00 O ATOM 0 H SER A 62 7.778 -8.850 -13.348 1.00 0.00 H new ATOM 0 HA SER A 62 6.029 -8.034 -15.466 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.287 -9.663 -16.755 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.404 -8.759 -15.750 1.00 0.00 H new ATOM 0 HG SER A 62 8.782 -11.034 -15.657 1.00 0.00 H new ATOM 986 N ARG A 63 5.266 -10.644 -13.704 1.00 0.00 N ATOM 987 CA ARG A 63 4.241 -11.632 -13.404 1.00 0.00 C ATOM 988 C ARG A 63 2.922 -11.003 -12.990 1.00 0.00 C ATOM 989 O ARG A 63 1.878 -11.604 -13.247 1.00 0.00 O ATOM 990 CB ARG A 63 4.696 -12.561 -12.300 1.00 0.00 C ATOM 991 CG ARG A 63 5.796 -13.541 -12.669 1.00 0.00 C ATOM 992 CD ARG A 63 6.162 -14.303 -11.457 1.00 0.00 C ATOM 993 NE ARG A 63 7.163 -15.330 -11.648 1.00 0.00 N ATOM 994 CZ ARG A 63 7.688 -16.017 -10.615 1.00 0.00 C ATOM 995 NH1 ARG A 63 7.289 -15.746 -9.389 1.00 0.00 N ATOM 996 NH2 ARG A 63 8.596 -16.954 -10.833 1.00 0.00 N ATOM 0 H ARG A 63 5.952 -10.531 -12.958 1.00 0.00 H new ATOM 0 HA ARG A 63 4.082 -12.188 -14.328 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.041 -11.956 -11.462 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.833 -13.128 -11.950 1.00 0.00 H new ATOM 0 HG2 ARG A 63 5.456 -14.216 -13.454 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.663 -13.009 -13.060 1.00 0.00 H new ATOM 0 HD2 ARG A 63 6.523 -13.603 -10.704 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.262 -14.767 -11.055 1.00 0.00 H new ATOM 0 HE ARG A 63 7.481 -15.540 -12.594 1.00 0.00 H new ATOM 0 HH11 ARG A 63 6.589 -15.022 -9.229 1.00 0.00 H new ATOM 0 HH12 ARG A 63 7.680 -16.260 -8.600 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.900 -17.158 -11.785 1.00 0.00 H new ATOM 0 HH22 ARG A 63 8.992 -17.473 -10.049 1.00 0.00 H new ATOM 1010 N TYR A 64 2.981 -9.820 -12.373 1.00 0.00 N ATOM 1011 CA TYR A 64 1.796 -9.079 -11.952 1.00 0.00 C ATOM 1012 C TYR A 64 0.775 -9.025 -13.085 1.00 0.00 C ATOM 1013 O TYR A 64 1.139 -8.795 -14.236 1.00 0.00 O ATOM 1014 CB TYR A 64 2.185 -7.644 -11.565 1.00 0.00 C ATOM 1015 CG TYR A 64 1.022 -6.789 -11.119 1.00 0.00 C ATOM 1016 CD1 TYR A 64 0.616 -6.787 -9.791 1.00 0.00 C ATOM 1017 CD2 TYR A 64 0.339 -6.024 -12.055 1.00 0.00 C ATOM 1018 CE1 TYR A 64 -0.464 -6.023 -9.406 1.00 0.00 C ATOM 1019 CE2 TYR A 64 -0.745 -5.263 -11.665 1.00 0.00 C ATOM 1020 CZ TYR A 64 -1.144 -5.262 -10.346 1.00 0.00 C ATOM 1021 OH TYR A 64 -2.218 -4.505 -9.945 1.00 0.00 O ATOM 0 H TYR A 64 3.858 -9.349 -12.152 1.00 0.00 H new ATOM 0 HA TYR A 64 1.359 -9.588 -11.093 1.00 0.00 H new ATOM 0 HB2 TYR A 64 2.922 -7.683 -10.763 1.00 0.00 H new ATOM 0 HB3 TYR A 64 2.667 -7.167 -12.418 1.00 0.00 H new ATOM 0 HD1 TYR A 64 1.145 -7.383 -9.062 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.655 -6.024 -13.088 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -0.781 -6.016 -8.374 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -1.279 -4.670 -12.392 1.00 0.00 H new ATOM 0 HH TYR A 64 -2.092 -4.226 -9.014 1.00 0.00 H new ATOM 1031 N PRO A 65 -0.515 -9.218 -12.816 1.00 0.00 N ATOM 1032 CA PRO A 65 -1.216 -9.475 -11.567 1.00 0.00 C ATOM 1033 C PRO A 65 -1.079 -10.834 -10.886 1.00 0.00 C ATOM 1034 O PRO A 65 -1.732 -11.036 -9.866 1.00 0.00 O ATOM 1035 CB PRO A 65 -2.655 -9.249 -12.028 1.00 0.00 C ATOM 1036 CG PRO A 65 -2.669 -9.599 -13.487 1.00 0.00 C ATOM 1037 CD PRO A 65 -1.337 -9.137 -14.023 1.00 0.00 C ATOM 0 HA PRO A 65 -0.805 -8.848 -10.776 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -3.349 -9.875 -11.468 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -2.960 -8.215 -11.870 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -2.800 -10.671 -13.632 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -3.493 -9.104 -14.002 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -0.966 -9.781 -14.820 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.382 -8.125 -14.426 1.00 0.00 H new ATOM 1045 N PHE A 66 -0.302 -11.769 -11.434 1.00 0.00 N ATOM 1046 CA PHE A 66 -0.114 -13.079 -10.809 1.00 0.00 C ATOM 1047 C PHE A 66 0.518 -12.900 -9.433 1.00 0.00 C ATOM 1048 O PHE A 66 0.033 -13.448 -8.442 1.00 0.00 O ATOM 1049 CB PHE A 66 0.739 -13.996 -11.685 1.00 0.00 C ATOM 1050 CG PHE A 66 1.044 -15.340 -11.100 1.00 0.00 C ATOM 1051 CD1 PHE A 66 0.097 -16.354 -11.098 1.00 0.00 C ATOM 1052 CD2 PHE A 66 2.291 -15.593 -10.556 1.00 0.00 C ATOM 1053 CE1 PHE A 66 0.394 -17.592 -10.560 1.00 0.00 C ATOM 1054 CE2 PHE A 66 2.592 -16.827 -10.017 1.00 0.00 C ATOM 1055 CZ PHE A 66 1.641 -17.828 -10.018 1.00 0.00 C ATOM 0 H PHE A 66 0.207 -11.644 -12.309 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.088 -13.555 -10.696 1.00 0.00 H new ATOM 0 HB2 PHE A 66 0.228 -14.140 -12.637 1.00 0.00 H new ATOM 0 HB3 PHE A 66 1.680 -13.491 -11.902 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.881 -16.174 -11.520 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.039 -14.814 -10.553 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.350 -18.375 -10.564 1.00 0.00 H new ATOM 0 HE2 PHE A 66 3.569 -17.009 -9.595 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.873 -18.794 -9.595 1.00 0.00 H new ATOM 1065 N ASP A 67 1.628 -12.171 -9.391 1.00 0.00 N ATOM 1066 CA ASP A 67 2.275 -11.817 -8.136 1.00 0.00 C ATOM 1067 C ASP A 67 1.798 -10.446 -7.677 1.00 0.00 C ATOM 1068 O ASP A 67 1.286 -9.664 -8.475 1.00 0.00 O ATOM 1069 CB ASP A 67 3.802 -11.849 -8.225 1.00 0.00 C ATOM 1070 CG ASP A 67 4.373 -13.259 -8.291 1.00 0.00 C ATOM 1071 OD1 ASP A 67 3.669 -14.179 -7.954 1.00 0.00 O ATOM 1072 OD2 ASP A 67 5.520 -13.405 -8.638 1.00 0.00 O ATOM 0 H ASP A 67 2.101 -11.812 -10.220 1.00 0.00 H new ATOM 0 HA ASP A 67 1.990 -12.571 -7.403 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.119 -11.295 -9.108 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.220 -11.335 -7.359 1.00 0.00 H new ATOM 1077 N SER A 68 1.951 -10.194 -6.381 1.00 0.00 N ATOM 1078 CA SER A 68 1.566 -8.947 -5.732 1.00 0.00 C ATOM 1079 C SER A 68 2.506 -7.797 -6.081 1.00 0.00 C ATOM 1080 O SER A 68 3.646 -8.048 -6.472 1.00 0.00 O ATOM 1081 CB SER A 68 1.591 -9.173 -4.236 1.00 0.00 C ATOM 1082 OG SER A 68 2.908 -9.379 -3.800 1.00 0.00 O ATOM 0 H SER A 68 2.358 -10.871 -5.736 1.00 0.00 H new ATOM 0 HA SER A 68 0.572 -8.668 -6.081 1.00 0.00 H new ATOM 0 HB2 SER A 68 1.161 -8.313 -3.723 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.976 -10.036 -3.981 1.00 0.00 H new ATOM 0 HG SER A 68 2.898 -9.853 -2.943 1.00 0.00 H new ATOM 1088 N PRO A 69 2.077 -6.539 -5.947 1.00 0.00 N ATOM 1089 CA PRO A 69 2.904 -5.382 -6.199 1.00 0.00 C ATOM 1090 C PRO A 69 3.907 -5.128 -5.082 1.00 0.00 C ATOM 1091 O PRO A 69 3.645 -5.441 -3.921 1.00 0.00 O ATOM 1092 CB PRO A 69 1.838 -4.287 -6.309 1.00 0.00 C ATOM 1093 CG PRO A 69 0.687 -4.767 -5.473 1.00 0.00 C ATOM 1094 CD PRO A 69 0.663 -6.272 -5.653 1.00 0.00 C ATOM 0 HA PRO A 69 3.544 -5.466 -7.077 1.00 0.00 H new ATOM 0 HB2 PRO A 69 2.217 -3.332 -5.945 1.00 0.00 H new ATOM 0 HB3 PRO A 69 1.535 -4.136 -7.345 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.823 -4.498 -4.425 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -0.251 -4.317 -5.799 1.00 0.00 H new ATOM 0 HD2 PRO A 69 0.323 -6.790 -4.756 1.00 0.00 H new ATOM 0 HD3 PRO A 69 0.007 -6.580 -6.467 1.00 0.00 H new ATOM 1102 N GLN A 70 5.056 -4.560 -5.424 1.00 0.00 N ATOM 1103 CA GLN A 70 6.056 -4.237 -4.424 1.00 0.00 C ATOM 1104 C GLN A 70 5.660 -2.913 -3.807 1.00 0.00 C ATOM 1105 O GLN A 70 5.525 -1.915 -4.513 1.00 0.00 O ATOM 1106 CB GLN A 70 7.458 -4.158 -5.024 1.00 0.00 C ATOM 1107 CG GLN A 70 8.530 -3.819 -4.006 1.00 0.00 C ATOM 1108 CD GLN A 70 8.742 -4.933 -3.000 1.00 0.00 C ATOM 1109 OE1 GLN A 70 9.031 -6.073 -3.374 1.00 0.00 O ATOM 1110 NE2 GLN A 70 8.600 -4.617 -1.717 1.00 0.00 N ATOM 0 H GLN A 70 5.314 -4.316 -6.380 1.00 0.00 H new ATOM 0 HA GLN A 70 6.093 -5.024 -3.670 1.00 0.00 H new ATOM 0 HB2 GLN A 70 7.700 -5.113 -5.491 1.00 0.00 H new ATOM 0 HB3 GLN A 70 7.466 -3.406 -5.813 1.00 0.00 H new ATOM 0 HG2 GLN A 70 9.468 -3.616 -4.523 1.00 0.00 H new ATOM 0 HG3 GLN A 70 8.252 -2.906 -3.480 1.00 0.00 H new ATOM 0 HE21 GLN A 70 8.360 -3.662 -1.450 1.00 0.00 H new ATOM 0 HE22 GLN A 70 8.731 -5.329 -0.999 1.00 0.00 H new ATOM 1119 N VAL A 71 5.450 -2.894 -2.496 1.00 0.00 N ATOM 1120 CA VAL A 71 5.056 -1.643 -1.867 1.00 0.00 C ATOM 1121 C VAL A 71 6.115 -1.224 -0.867 1.00 0.00 C ATOM 1122 O VAL A 71 6.464 -1.992 0.031 1.00 0.00 O ATOM 1123 CB VAL A 71 3.718 -1.766 -1.143 1.00 0.00 C ATOM 1124 CG1 VAL A 71 3.392 -0.407 -0.547 1.00 0.00 C ATOM 1125 CG2 VAL A 71 2.669 -2.286 -2.106 1.00 0.00 C ATOM 0 H VAL A 71 5.541 -3.695 -1.871 1.00 0.00 H new ATOM 0 HA VAL A 71 4.952 -0.897 -2.655 1.00 0.00 H new ATOM 0 HB VAL A 71 3.752 -2.486 -0.326 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.439 -0.460 -0.021 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.177 -0.118 0.152 1.00 0.00 H new ATOM 0 HG13 VAL A 71 3.326 0.333 -1.344 1.00 0.00 H new ATOM 0 HG21 VAL A 71 1.713 -2.374 -1.590 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.568 -1.594 -2.942 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.971 -3.264 -2.480 1.00 0.00 H new ATOM 1135 N MET A 72 6.632 -0.013 -1.034 1.00 0.00 N ATOM 1136 CA MET A 72 7.682 0.474 -0.165 1.00 0.00 C ATOM 1137 C MET A 72 7.417 1.816 0.506 1.00 0.00 C ATOM 1138 O MET A 72 7.025 2.797 -0.123 1.00 0.00 O ATOM 1139 CB MET A 72 8.940 0.571 -1.026 1.00 0.00 C ATOM 1140 CG MET A 72 9.444 -0.765 -1.560 1.00 0.00 C ATOM 1141 SD MET A 72 10.666 -0.582 -2.867 1.00 0.00 S ATOM 1142 CE MET A 72 9.540 -0.178 -4.205 1.00 0.00 C ATOM 0 H MET A 72 6.340 0.642 -1.760 1.00 0.00 H new ATOM 0 HA MET A 72 7.769 -0.225 0.667 1.00 0.00 H new ATOM 0 HB2 MET A 72 8.738 1.232 -1.869 1.00 0.00 H new ATOM 0 HB3 MET A 72 9.732 1.036 -0.439 1.00 0.00 H new ATOM 0 HG2 MET A 72 9.879 -1.337 -0.740 1.00 0.00 H new ATOM 0 HG3 MET A 72 8.599 -1.341 -1.938 1.00 0.00 H new ATOM 0 HE1 MET A 72 9.963 0.626 -4.806 1.00 0.00 H new ATOM 0 HE2 MET A 72 9.388 -1.058 -4.831 1.00 0.00 H new ATOM 0 HE3 MET A 72 8.584 0.143 -3.792 1.00 0.00 H new ATOM 1152 N PHE A 73 7.615 1.857 1.815 1.00 0.00 N ATOM 1153 CA PHE A 73 7.519 3.117 2.534 1.00 0.00 C ATOM 1154 C PHE A 73 8.747 3.946 2.210 1.00 0.00 C ATOM 1155 O PHE A 73 9.871 3.445 2.280 1.00 0.00 O ATOM 1156 CB PHE A 73 7.394 3.016 4.060 1.00 0.00 C ATOM 1157 CG PHE A 73 7.326 4.409 4.619 1.00 0.00 C ATOM 1158 CD1 PHE A 73 6.145 5.134 4.607 1.00 0.00 C ATOM 1159 CD2 PHE A 73 8.472 5.014 5.118 1.00 0.00 C ATOM 1160 CE1 PHE A 73 6.127 6.430 5.081 1.00 0.00 C ATOM 1161 CE2 PHE A 73 8.444 6.313 5.582 1.00 0.00 C ATOM 1162 CZ PHE A 73 7.268 7.021 5.559 1.00 0.00 C ATOM 0 H PHE A 73 7.839 1.047 2.393 1.00 0.00 H new ATOM 0 HA PHE A 73 6.586 3.570 2.198 1.00 0.00 H new ATOM 0 HB2 PHE A 73 6.501 2.453 4.332 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.247 2.480 4.477 1.00 0.00 H new ATOM 0 HD1 PHE A 73 5.239 4.685 4.227 1.00 0.00 H new ATOM 0 HD2 PHE A 73 9.399 4.460 5.143 1.00 0.00 H new ATOM 0 HE1 PHE A 73 5.201 6.986 5.075 1.00 0.00 H new ATOM 0 HE2 PHE A 73 9.345 6.772 5.962 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.242 8.040 5.916 1.00 0.00 H new ATOM 1172 N THR A 74 8.537 5.207 1.862 1.00 0.00 N ATOM 1173 CA THR A 74 9.651 6.087 1.565 1.00 0.00 C ATOM 1174 C THR A 74 9.407 7.466 2.164 1.00 0.00 C ATOM 1175 O THR A 74 8.274 7.918 2.312 1.00 0.00 O ATOM 1176 CB THR A 74 9.879 6.163 0.041 1.00 0.00 C ATOM 1177 OG1 THR A 74 11.025 6.984 -0.228 1.00 0.00 O ATOM 1178 CG2 THR A 74 8.659 6.712 -0.680 1.00 0.00 C ATOM 0 H THR A 74 7.616 5.637 1.780 1.00 0.00 H new ATOM 0 HA THR A 74 10.557 5.683 2.017 1.00 0.00 H new ATOM 0 HB THR A 74 10.053 5.153 -0.331 1.00 0.00 H new ATOM 0 HG1 THR A 74 11.173 7.032 -1.196 1.00 0.00 H new ATOM 0 HG21 THR A 74 8.856 6.751 -1.751 1.00 0.00 H new ATOM 0 HG22 THR A 74 7.803 6.064 -0.492 1.00 0.00 H new ATOM 0 HG23 THR A 74 8.441 7.715 -0.314 1.00 0.00 H new ATOM 1186 N GLY A 75 10.495 8.125 2.539 1.00 0.00 N ATOM 1187 CA GLY A 75 10.420 9.431 3.180 1.00 0.00 C ATOM 1188 C GLY A 75 10.895 9.320 4.625 1.00 0.00 C ATOM 1189 O GLY A 75 11.282 8.241 5.076 1.00 0.00 O ATOM 0 H GLY A 75 11.444 7.775 2.410 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.036 10.149 2.638 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.396 9.803 3.151 1.00 0.00 H new ATOM 1193 N GLU A 76 10.881 10.438 5.343 1.00 0.00 N ATOM 1194 CA GLU A 76 11.342 10.463 6.728 1.00 0.00 C ATOM 1195 C GLU A 76 10.279 10.147 7.778 1.00 0.00 C ATOM 1196 O GLU A 76 10.604 9.627 8.846 1.00 0.00 O ATOM 1197 CB GLU A 76 11.937 11.837 7.037 1.00 0.00 C ATOM 1198 CG GLU A 76 13.209 12.156 6.265 1.00 0.00 C ATOM 1199 CD GLU A 76 13.755 13.523 6.573 1.00 0.00 C ATOM 1200 OE1 GLU A 76 13.108 14.255 7.282 1.00 0.00 O ATOM 1201 OE2 GLU A 76 14.821 13.835 6.097 1.00 0.00 O ATOM 0 H GLU A 76 10.556 11.338 4.990 1.00 0.00 H new ATOM 0 HA GLU A 76 12.080 9.664 6.798 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.191 12.601 6.817 1.00 0.00 H new ATOM 0 HB3 GLU A 76 12.149 11.897 8.105 1.00 0.00 H new ATOM 0 HG2 GLU A 76 13.966 11.407 6.498 1.00 0.00 H new ATOM 0 HG3 GLU A 76 13.007 12.084 5.196 1.00 0.00 H new ATOM 1208 N ASN A 77 9.008 10.425 7.483 1.00 0.00 N ATOM 1209 CA ASN A 77 7.934 10.232 8.461 1.00 0.00 C ATOM 1210 C ASN A 77 7.477 8.786 8.597 1.00 0.00 C ATOM 1211 O ASN A 77 6.349 8.461 8.233 1.00 0.00 O ATOM 1212 CB ASN A 77 6.736 11.093 8.099 1.00 0.00 C ATOM 1213 CG ASN A 77 5.710 11.152 9.202 1.00 0.00 C ATOM 1214 OD1 ASN A 77 6.045 10.925 10.370 1.00 0.00 O ATOM 1215 ND2 ASN A 77 4.481 11.448 8.864 1.00 0.00 N ATOM 0 H ASN A 77 8.697 10.783 6.580 1.00 0.00 H new ATOM 0 HA ASN A 77 8.353 10.528 9.423 1.00 0.00 H new ATOM 0 HB2 ASN A 77 7.075 12.103 7.869 1.00 0.00 H new ATOM 0 HB3 ASN A 77 6.270 10.700 7.195 1.00 0.00 H new ATOM 0 HD21 ASN A 77 3.754 11.499 9.578 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.250 11.628 7.887 1.00 0.00 H new ATOM 1222 N ILE A 78 8.340 7.935 9.138 1.00 0.00 N ATOM 1223 CA ILE A 78 8.041 6.521 9.296 1.00 0.00 C ATOM 1224 C ILE A 78 7.054 6.352 10.444 1.00 0.00 C ATOM 1225 O ILE A 78 7.379 6.745 11.565 1.00 0.00 O ATOM 1226 CB ILE A 78 9.323 5.726 9.617 1.00 0.00 C ATOM 1227 CG1 ILE A 78 10.328 5.852 8.472 1.00 0.00 C ATOM 1228 CG2 ILE A 78 8.968 4.255 9.819 1.00 0.00 C ATOM 1229 CD1 ILE A 78 11.710 5.357 8.815 1.00 0.00 C ATOM 0 H ILE A 78 9.263 8.206 9.478 1.00 0.00 H new ATOM 0 HA ILE A 78 7.617 6.143 8.366 1.00 0.00 H new ATOM 0 HB ILE A 78 9.771 6.129 10.526 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.956 5.295 7.612 1.00 0.00 H new ATOM 0 HG13 ILE A 78 10.392 6.898 8.171 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.872 3.690 10.046 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.264 4.161 10.646 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.514 3.862 8.909 1.00 0.00 H new ATOM 0 HD11 ILE A 78 12.365 5.480 7.952 1.00 0.00 H new ATOM 0 HD12 ILE A 78 12.104 5.930 9.654 1.00 0.00 H new ATOM 0 HD13 ILE A 78 11.662 4.303 9.087 1.00 0.00 H new ATOM 1241 N PRO A 79 5.861 5.791 10.231 1.00 0.00 N ATOM 1242 CA PRO A 79 4.917 5.598 11.298 1.00 0.00 C ATOM 1243 C PRO A 79 5.350 4.492 12.230 1.00 0.00 C ATOM 1244 O PRO A 79 5.886 3.475 11.789 1.00 0.00 O ATOM 1245 CB PRO A 79 3.651 5.222 10.523 1.00 0.00 C ATOM 1246 CG PRO A 79 4.153 4.624 9.235 1.00 0.00 C ATOM 1247 CD PRO A 79 5.460 5.326 8.899 1.00 0.00 C ATOM 0 HA PRO A 79 4.797 6.466 11.947 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.043 4.509 11.080 1.00 0.00 H new ATOM 0 HB3 PRO A 79 3.027 6.096 10.337 1.00 0.00 H new ATOM 0 HG2 PRO A 79 4.308 3.551 9.343 1.00 0.00 H new ATOM 0 HG3 PRO A 79 3.425 4.762 8.436 1.00 0.00 H new ATOM 0 HD2 PRO A 79 6.192 4.650 8.457 1.00 0.00 H new ATOM 0 HD3 PRO A 79 5.321 6.148 8.197 1.00 0.00 H new ATOM 1255 N VAL A 80 5.110 4.682 13.520 1.00 0.00 N ATOM 1256 CA VAL A 80 5.418 3.613 14.448 1.00 0.00 C ATOM 1257 C VAL A 80 4.216 2.711 14.321 1.00 0.00 C ATOM 1258 O VAL A 80 3.110 3.118 14.673 1.00 0.00 O ATOM 1259 CB VAL A 80 5.620 4.104 15.890 1.00 0.00 C ATOM 1260 CG1 VAL A 80 5.872 2.914 16.802 1.00 0.00 C ATOM 1261 CG2 VAL A 80 6.794 5.069 15.931 1.00 0.00 C ATOM 0 H VAL A 80 4.720 5.530 13.932 1.00 0.00 H new ATOM 0 HA VAL A 80 6.362 3.119 14.218 1.00 0.00 H new ATOM 0 HB VAL A 80 4.726 4.622 16.236 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.015 3.263 17.825 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.016 2.240 16.765 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.765 2.385 16.471 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.941 5.420 16.952 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.695 4.560 15.589 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.589 5.920 15.281 1.00 0.00 H new ATOM 1271 N HIS A 81 4.437 1.504 13.827 1.00 0.00 N ATOM 1272 CA HIS A 81 3.338 0.593 13.577 1.00 0.00 C ATOM 1273 C HIS A 81 3.855 -0.841 13.504 1.00 0.00 C ATOM 1274 O HIS A 81 4.899 -1.063 12.895 1.00 0.00 O ATOM 1275 CB HIS A 81 2.675 0.972 12.248 1.00 0.00 C ATOM 1276 CG HIS A 81 1.393 0.273 11.936 1.00 0.00 C ATOM 1277 ND1 HIS A 81 1.332 -1.034 11.495 1.00 0.00 N ATOM 1278 CD2 HIS A 81 0.117 0.714 11.987 1.00 0.00 C ATOM 1279 CE1 HIS A 81 0.067 -1.359 11.291 1.00 0.00 C ATOM 1280 NE2 HIS A 81 -0.683 -0.318 11.581 1.00 0.00 N ATOM 0 H HIS A 81 5.360 1.137 13.594 1.00 0.00 H new ATOM 0 HA HIS A 81 2.612 0.663 14.387 1.00 0.00 H new ATOM 0 HB2 HIS A 81 2.490 2.046 12.250 1.00 0.00 H new ATOM 0 HB3 HIS A 81 3.381 0.772 11.442 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -0.210 1.697 12.291 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -0.290 -2.317 10.945 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -1.700 -0.286 11.514 1.00 0.00 H new ATOM 1288 N PRO A 82 3.158 -1.838 14.063 1.00 0.00 N ATOM 1289 CA PRO A 82 3.553 -3.234 14.018 1.00 0.00 C ATOM 1290 C PRO A 82 3.878 -3.795 12.636 1.00 0.00 C ATOM 1291 O PRO A 82 4.696 -4.710 12.521 1.00 0.00 O ATOM 1292 CB PRO A 82 2.305 -3.888 14.619 1.00 0.00 C ATOM 1293 CG PRO A 82 1.757 -2.850 15.561 1.00 0.00 C ATOM 1294 CD PRO A 82 1.995 -1.519 14.900 1.00 0.00 C ATOM 0 HA PRO A 82 4.494 -3.414 14.537 1.00 0.00 H new ATOM 0 HB2 PRO A 82 1.580 -4.146 13.847 1.00 0.00 H new ATOM 0 HB3 PRO A 82 2.553 -4.810 15.144 1.00 0.00 H new ATOM 0 HG2 PRO A 82 0.694 -3.011 15.742 1.00 0.00 H new ATOM 0 HG3 PRO A 82 2.256 -2.899 16.529 1.00 0.00 H new ATOM 0 HD2 PRO A 82 1.139 -1.190 14.311 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.208 -0.730 15.622 1.00 0.00 H new ATOM 1302 N HIS A 83 3.238 -3.273 11.596 1.00 0.00 N ATOM 1303 CA HIS A 83 3.476 -3.752 10.251 1.00 0.00 C ATOM 1304 C HIS A 83 4.245 -2.779 9.357 1.00 0.00 C ATOM 1305 O HIS A 83 4.356 -3.002 8.151 1.00 0.00 O ATOM 1306 CB HIS A 83 2.142 -4.086 9.609 1.00 0.00 C ATOM 1307 CG HIS A 83 1.398 -5.198 10.283 1.00 0.00 C ATOM 1308 ND1 HIS A 83 1.862 -6.495 10.291 1.00 0.00 N ATOM 1309 CD2 HIS A 83 0.219 -5.219 10.949 1.00 0.00 C ATOM 1310 CE1 HIS A 83 1.003 -7.264 10.932 1.00 0.00 C ATOM 1311 NE2 HIS A 83 -0.004 -6.515 11.339 1.00 0.00 N ATOM 0 H HIS A 83 2.553 -2.520 11.664 1.00 0.00 H new ATOM 0 HA HIS A 83 4.112 -4.632 10.344 1.00 0.00 H new ATOM 0 HB2 HIS A 83 1.517 -3.193 9.610 1.00 0.00 H new ATOM 0 HB3 HIS A 83 2.311 -4.356 8.567 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -0.425 -4.373 11.138 1.00 0.00 H new ATOM 0 HE1 HIS A 83 1.106 -8.326 11.096 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -0.817 -6.846 11.859 1.00 0.00 H new ATOM 1319 N VAL A 84 4.784 -1.688 9.903 1.00 0.00 N ATOM 1320 CA VAL A 84 5.541 -0.795 9.031 1.00 0.00 C ATOM 1321 C VAL A 84 6.977 -0.774 9.506 1.00 0.00 C ATOM 1322 O VAL A 84 7.271 -0.410 10.645 1.00 0.00 O ATOM 1323 CB VAL A 84 4.993 0.642 8.988 1.00 0.00 C ATOM 1324 CG1 VAL A 84 5.893 1.464 8.068 1.00 0.00 C ATOM 1325 CG2 VAL A 84 3.554 0.635 8.485 1.00 0.00 C ATOM 0 H VAL A 84 4.718 -1.413 10.883 1.00 0.00 H new ATOM 0 HA VAL A 84 5.455 -1.181 8.015 1.00 0.00 H new ATOM 0 HB VAL A 84 4.991 1.083 9.985 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.525 2.489 8.020 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.911 1.461 8.458 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.886 1.029 7.069 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.173 1.656 8.457 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.521 0.208 7.483 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.937 0.036 9.155 1.00 0.00 H new ATOM 1335 N TYR A 85 7.879 -1.158 8.618 1.00 0.00 N ATOM 1336 CA TYR A 85 9.273 -1.233 8.991 1.00 0.00 C ATOM 1337 C TYR A 85 10.059 -0.056 8.451 1.00 0.00 C ATOM 1338 O TYR A 85 9.720 0.513 7.412 1.00 0.00 O ATOM 1339 CB TYR A 85 9.814 -2.555 8.483 1.00 0.00 C ATOM 1340 CG TYR A 85 9.097 -3.711 9.153 1.00 0.00 C ATOM 1341 CD1 TYR A 85 7.929 -4.219 8.598 1.00 0.00 C ATOM 1342 CD2 TYR A 85 9.592 -4.261 10.324 1.00 0.00 C ATOM 1343 CE1 TYR A 85 7.256 -5.261 9.199 1.00 0.00 C ATOM 1344 CE2 TYR A 85 8.920 -5.307 10.928 1.00 0.00 C ATOM 1345 CZ TYR A 85 7.760 -5.807 10.372 1.00 0.00 C ATOM 1346 OH TYR A 85 7.101 -6.849 10.982 1.00 0.00 O ATOM 0 H TYR A 85 7.673 -1.417 7.653 1.00 0.00 H new ATOM 0 HA TYR A 85 9.375 -1.184 10.075 1.00 0.00 H new ATOM 0 HB2 TYR A 85 9.686 -2.617 7.402 1.00 0.00 H new ATOM 0 HB3 TYR A 85 10.884 -2.618 8.682 1.00 0.00 H new ATOM 0 HD1 TYR A 85 7.543 -3.792 7.684 1.00 0.00 H new ATOM 0 HD2 TYR A 85 10.500 -3.874 10.763 1.00 0.00 H new ATOM 0 HE1 TYR A 85 6.347 -5.648 8.763 1.00 0.00 H new ATOM 0 HE2 TYR A 85 9.305 -5.736 11.841 1.00 0.00 H new ATOM 0 HH TYR A 85 7.586 -7.114 11.791 1.00 0.00 H new ATOM 1356 N SER A 86 11.132 0.290 9.162 1.00 0.00 N ATOM 1357 CA SER A 86 11.991 1.418 8.811 1.00 0.00 C ATOM 1358 C SER A 86 12.754 1.221 7.508 1.00 0.00 C ATOM 1359 O SER A 86 13.260 2.183 6.931 1.00 0.00 O ATOM 1360 CB SER A 86 12.982 1.672 9.927 1.00 0.00 C ATOM 1361 OG SER A 86 13.896 0.615 10.031 1.00 0.00 O ATOM 0 H SER A 86 11.430 -0.207 10.001 1.00 0.00 H new ATOM 0 HA SER A 86 11.330 2.273 8.669 1.00 0.00 H new ATOM 0 HB2 SER A 86 13.516 2.604 9.740 1.00 0.00 H new ATOM 0 HB3 SER A 86 12.450 1.793 10.871 1.00 0.00 H new ATOM 0 HG SER A 86 14.528 0.800 10.757 1.00 0.00 H new ATOM 1367 N ASN A 87 12.843 -0.025 7.046 1.00 0.00 N ATOM 1368 CA ASN A 87 13.473 -0.349 5.779 1.00 0.00 C ATOM 1369 C ASN A 87 12.494 -0.278 4.605 1.00 0.00 C ATOM 1370 O ASN A 87 12.857 -0.644 3.486 1.00 0.00 O ATOM 1371 CB ASN A 87 14.102 -1.724 5.866 1.00 0.00 C ATOM 1372 CG ASN A 87 13.089 -2.824 6.043 1.00 0.00 C ATOM 1373 OD1 ASN A 87 11.874 -2.631 5.919 1.00 0.00 O ATOM 1374 ND2 ASN A 87 13.582 -4.000 6.342 1.00 0.00 N ATOM 0 H ASN A 87 12.478 -0.836 7.545 1.00 0.00 H new ATOM 0 HA ASN A 87 14.244 0.398 5.588 1.00 0.00 H new ATOM 0 HB2 ASN A 87 14.679 -1.911 4.961 1.00 0.00 H new ATOM 0 HB3 ASN A 87 14.803 -1.745 6.701 1.00 0.00 H new ATOM 0 HD21 ASN A 87 12.958 -4.795 6.481 1.00 0.00 H new ATOM 0 HD22 ASN A 87 14.590 -4.121 6.436 1.00 0.00 H new ATOM 1381 N GLY A 88 11.260 0.177 4.844 1.00 0.00 N ATOM 1382 CA GLY A 88 10.276 0.318 3.784 1.00 0.00 C ATOM 1383 C GLY A 88 9.253 -0.813 3.716 1.00 0.00 C ATOM 1384 O GLY A 88 8.236 -0.677 3.036 1.00 0.00 O ATOM 0 H GLY A 88 10.925 0.453 5.767 1.00 0.00 H new ATOM 0 HA2 GLY A 88 9.747 1.262 3.919 1.00 0.00 H new ATOM 0 HA3 GLY A 88 10.796 0.378 2.828 1.00 0.00 H new ATOM 1388 N HIS A 89 9.483 -1.916 4.420 1.00 0.00 N ATOM 1389 CA HIS A 89 8.550 -3.032 4.324 1.00 0.00 C ATOM 1390 C HIS A 89 7.158 -2.739 4.888 1.00 0.00 C ATOM 1391 O HIS A 89 6.980 -2.185 5.975 1.00 0.00 O ATOM 1392 CB HIS A 89 9.159 -4.246 5.031 1.00 0.00 C ATOM 1393 CG HIS A 89 8.448 -5.544 4.840 1.00 0.00 C ATOM 1394 ND1 HIS A 89 7.251 -5.854 5.451 1.00 0.00 N ATOM 1395 CD2 HIS A 89 8.793 -6.625 4.110 1.00 0.00 C ATOM 1396 CE1 HIS A 89 6.891 -7.078 5.097 1.00 0.00 C ATOM 1397 NE2 HIS A 89 7.811 -7.565 4.286 1.00 0.00 N ATOM 0 H HIS A 89 10.278 -2.060 5.042 1.00 0.00 H new ATOM 0 HA HIS A 89 8.398 -3.226 3.262 1.00 0.00 H new ATOM 0 HB2 HIS A 89 10.186 -4.364 4.686 1.00 0.00 H new ATOM 0 HB3 HIS A 89 9.204 -4.034 6.099 1.00 0.00 H new ATOM 0 HD2 HIS A 89 9.678 -6.730 3.500 1.00 0.00 H new ATOM 0 HE1 HIS A 89 5.996 -7.591 5.418 1.00 0.00 H new ATOM 0 HE2 HIS A 89 7.794 -8.491 3.859 1.00 0.00 H new ATOM 1405 N ILE A 90 6.151 -3.103 4.099 1.00 0.00 N ATOM 1406 CA ILE A 90 4.749 -2.975 4.482 1.00 0.00 C ATOM 1407 C ILE A 90 4.151 -4.362 4.684 1.00 0.00 C ATOM 1408 O ILE A 90 3.880 -5.066 3.707 1.00 0.00 O ATOM 1409 CB ILE A 90 3.931 -2.220 3.409 1.00 0.00 C ATOM 1410 CG1 ILE A 90 4.543 -0.844 3.110 1.00 0.00 C ATOM 1411 CG2 ILE A 90 2.487 -2.085 3.865 1.00 0.00 C ATOM 1412 CD1 ILE A 90 4.601 0.073 4.309 1.00 0.00 C ATOM 0 H ILE A 90 6.287 -3.498 3.169 1.00 0.00 H new ATOM 0 HA ILE A 90 4.705 -2.402 5.408 1.00 0.00 H new ATOM 0 HB ILE A 90 3.957 -2.795 2.483 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.552 -0.983 2.722 1.00 0.00 H new ATOM 0 HG13 ILE A 90 3.962 -0.362 2.324 1.00 0.00 H new ATOM 0 HG21 ILE A 90 1.914 -1.552 3.106 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.058 -3.076 4.014 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.452 -1.530 4.802 1.00 0.00 H new ATOM 0 HD11 ILE A 90 5.045 1.025 4.018 1.00 0.00 H new ATOM 0 HD12 ILE A 90 3.592 0.244 4.686 1.00 0.00 H new ATOM 0 HD13 ILE A 90 5.207 -0.387 5.090 1.00 0.00 H new ATOM 1424 N CYS A 91 3.873 -4.765 5.921 1.00 0.00 N ATOM 1425 CA CYS A 91 3.359 -6.117 6.087 1.00 0.00 C ATOM 1426 C CYS A 91 1.841 -6.180 6.033 1.00 0.00 C ATOM 1427 O CYS A 91 1.138 -6.230 7.042 1.00 0.00 O ATOM 1428 CB CYS A 91 3.860 -6.715 7.396 1.00 0.00 C ATOM 1429 SG CYS A 91 3.328 -8.421 7.667 1.00 0.00 S ATOM 0 H CYS A 91 3.986 -4.215 6.772 1.00 0.00 H new ATOM 0 HA CYS A 91 3.734 -6.702 5.247 1.00 0.00 H new ATOM 0 HB2 CYS A 91 4.949 -6.677 7.409 1.00 0.00 H new ATOM 0 HB3 CYS A 91 3.510 -6.099 8.224 1.00 0.00 H new ATOM 0 HG CYS A 91 3.800 -8.848 8.800 1.00 0.00 H new ATOM 1435 N LEU A 92 1.376 -6.198 4.793 1.00 0.00 N ATOM 1436 CA LEU A 92 -0.022 -6.308 4.408 1.00 0.00 C ATOM 1437 C LEU A 92 -0.257 -7.722 3.910 1.00 0.00 C ATOM 1438 O LEU A 92 0.464 -8.168 3.019 1.00 0.00 O ATOM 1439 CB LEU A 92 -0.363 -5.272 3.328 1.00 0.00 C ATOM 1440 CG LEU A 92 -1.777 -5.348 2.749 1.00 0.00 C ATOM 1441 CD1 LEU A 92 -2.808 -5.043 3.821 1.00 0.00 C ATOM 1442 CD2 LEU A 92 -1.909 -4.345 1.615 1.00 0.00 C ATOM 0 H LEU A 92 1.997 -6.133 3.986 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.671 -6.107 5.260 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.217 -4.277 3.748 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.349 -5.381 2.510 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.952 -6.356 2.374 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -3.808 -5.102 3.391 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -2.717 -5.768 4.630 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.640 -4.040 4.213 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.915 -4.396 1.199 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.724 -3.340 1.995 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.183 -4.578 0.836 1.00 0.00 H new ATOM 1454 N SER A 93 -1.263 -8.426 4.448 1.00 0.00 N ATOM 1455 CA SER A 93 -1.487 -9.818 4.039 1.00 0.00 C ATOM 1456 C SER A 93 -1.780 -9.964 2.561 1.00 0.00 C ATOM 1457 O SER A 93 -1.400 -10.965 1.961 1.00 0.00 O ATOM 1458 CB SER A 93 -2.679 -10.439 4.718 1.00 0.00 C ATOM 1459 OG SER A 93 -3.847 -9.830 4.243 1.00 0.00 O ATOM 0 H SER A 93 -1.916 -8.068 5.146 1.00 0.00 H new ATOM 0 HA SER A 93 -0.555 -10.310 4.315 1.00 0.00 H new ATOM 0 HB2 SER A 93 -2.707 -11.511 4.521 1.00 0.00 H new ATOM 0 HB3 SER A 93 -2.603 -10.315 5.798 1.00 0.00 H new ATOM 0 HG SER A 93 -4.534 -10.513 4.092 1.00 0.00 H new ATOM 1465 N ILE A 94 -2.390 -8.942 1.971 1.00 0.00 N ATOM 1466 CA ILE A 94 -2.702 -8.854 0.551 1.00 0.00 C ATOM 1467 C ILE A 94 -1.475 -8.951 -0.315 1.00 0.00 C ATOM 1468 O ILE A 94 -1.564 -9.395 -1.453 1.00 0.00 O ATOM 1469 CB ILE A 94 -3.446 -7.570 0.180 1.00 0.00 C ATOM 1470 CG1 ILE A 94 -4.853 -7.619 0.764 1.00 0.00 C ATOM 1471 CG2 ILE A 94 -3.434 -7.379 -1.322 1.00 0.00 C ATOM 1472 CD1 ILE A 94 -5.563 -6.297 0.661 1.00 0.00 C ATOM 0 H ILE A 94 -2.693 -8.119 2.492 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.352 -9.709 0.363 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.946 -6.701 0.607 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.433 -8.381 0.244 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -4.799 -7.919 1.811 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.966 -6.462 -1.576 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.404 -7.310 -1.672 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.923 -8.227 -1.801 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -6.561 -6.385 1.091 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -5.000 -5.538 1.204 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.644 -6.008 -0.387 1.00 0.00 H new ATOM 1484 N LEU A 95 -0.331 -8.505 0.178 1.00 0.00 N ATOM 1485 CA LEU A 95 0.870 -8.542 -0.625 1.00 0.00 C ATOM 1486 C LEU A 95 1.556 -9.915 -0.559 1.00 0.00 C ATOM 1487 O LEU A 95 2.522 -10.165 -1.284 1.00 0.00 O ATOM 1488 CB LEU A 95 1.802 -7.434 -0.140 1.00 0.00 C ATOM 1489 CG LEU A 95 1.197 -6.034 -0.299 1.00 0.00 C ATOM 1490 CD1 LEU A 95 2.145 -4.998 0.294 1.00 0.00 C ATOM 1491 CD2 LEU A 95 0.905 -5.787 -1.770 1.00 0.00 C ATOM 0 H LEU A 95 -0.213 -8.120 1.115 1.00 0.00 H new ATOM 0 HA LEU A 95 0.612 -8.379 -1.671 1.00 0.00 H new ATOM 0 HB2 LEU A 95 2.044 -7.603 0.909 1.00 0.00 H new ATOM 0 HB3 LEU A 95 2.739 -7.485 -0.695 1.00 0.00 H new ATOM 0 HG LEU A 95 0.255 -5.953 0.244 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.714 -4.003 0.180 1.00 0.00 H new ATOM 0 HD12 LEU A 95 2.298 -5.209 1.352 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.102 -5.040 -0.226 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.474 -4.793 -1.894 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.831 -5.855 -2.341 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.200 -6.536 -2.132 1.00 0.00 H new ATOM 1503 N THR A 96 1.039 -10.820 0.279 1.00 0.00 N ATOM 1504 CA THR A 96 1.557 -12.167 0.458 1.00 0.00 C ATOM 1505 C THR A 96 0.344 -13.096 0.380 1.00 0.00 C ATOM 1506 O THR A 96 -0.284 -13.205 -0.675 1.00 0.00 O ATOM 1507 CB THR A 96 2.294 -12.374 1.797 1.00 0.00 C ATOM 1508 OG1 THR A 96 1.382 -12.143 2.877 1.00 0.00 O ATOM 1509 CG2 THR A 96 3.467 -11.414 1.928 1.00 0.00 C ATOM 0 H THR A 96 0.227 -10.624 0.864 1.00 0.00 H new ATOM 0 HA THR A 96 2.301 -12.372 -0.312 1.00 0.00 H new ATOM 0 HB THR A 96 2.673 -13.396 1.828 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.845 -12.275 3.730 1.00 0.00 H new ATOM 0 HG21 THR A 96 3.969 -11.581 2.881 1.00 0.00 H new ATOM 0 HG22 THR A 96 4.170 -11.585 1.113 1.00 0.00 H new ATOM 0 HG23 THR A 96 3.104 -10.387 1.885 1.00 0.00 H new ATOM 1517 N GLU A 97 0.038 -13.759 1.496 1.00 0.00 N ATOM 1518 CA GLU A 97 -1.036 -14.742 1.666 1.00 0.00 C ATOM 1519 C GLU A 97 -2.391 -14.454 1.011 1.00 0.00 C ATOM 1520 O GLU A 97 -2.981 -15.355 0.413 1.00 0.00 O ATOM 1521 CB GLU A 97 -1.266 -14.946 3.166 1.00 0.00 C ATOM 1522 CG GLU A 97 -2.313 -15.997 3.513 1.00 0.00 C ATOM 1523 CD GLU A 97 -2.439 -16.233 4.995 1.00 0.00 C ATOM 1524 OE1 GLU A 97 -1.747 -15.584 5.744 1.00 0.00 O ATOM 1525 OE2 GLU A 97 -3.218 -17.073 5.380 1.00 0.00 O ATOM 0 H GLU A 97 0.564 -13.616 2.358 1.00 0.00 H new ATOM 0 HA GLU A 97 -0.670 -15.622 1.137 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -0.321 -15.228 3.630 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -1.566 -13.995 3.606 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -3.279 -15.685 3.117 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.055 -16.935 3.022 1.00 0.00 H new ATOM 1532 N ASP A 98 -2.893 -13.227 1.117 1.00 0.00 N ATOM 1533 CA ASP A 98 -4.192 -12.870 0.561 1.00 0.00 C ATOM 1534 C ASP A 98 -4.139 -12.278 -0.851 1.00 0.00 C ATOM 1535 O ASP A 98 -5.161 -11.791 -1.336 1.00 0.00 O ATOM 1536 CB ASP A 98 -4.925 -11.898 1.500 1.00 0.00 C ATOM 1537 CG ASP A 98 -5.364 -12.540 2.816 1.00 0.00 C ATOM 1538 OD1 ASP A 98 -5.666 -13.710 2.790 1.00 0.00 O ATOM 1539 OD2 ASP A 98 -5.398 -11.876 3.829 1.00 0.00 O ATOM 0 H ASP A 98 -2.414 -12.459 1.587 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.738 -13.810 0.475 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -4.272 -11.052 1.717 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -5.801 -11.501 0.988 1.00 0.00 H new ATOM 1544 N TRP A 99 -2.982 -12.303 -1.515 1.00 0.00 N ATOM 1545 CA TRP A 99 -2.924 -11.778 -2.875 1.00 0.00 C ATOM 1546 C TRP A 99 -3.754 -12.555 -3.873 1.00 0.00 C ATOM 1547 O TRP A 99 -3.705 -13.783 -3.951 1.00 0.00 O ATOM 1548 CB TRP A 99 -1.510 -11.722 -3.466 1.00 0.00 C ATOM 1549 CG TRP A 99 -1.585 -11.190 -4.873 1.00 0.00 C ATOM 1550 CD1 TRP A 99 -1.358 -11.908 -6.008 1.00 0.00 C ATOM 1551 CD2 TRP A 99 -1.971 -9.861 -5.318 1.00 0.00 C ATOM 1552 NE1 TRP A 99 -1.561 -11.123 -7.112 1.00 0.00 N ATOM 1553 CE2 TRP A 99 -1.939 -9.872 -6.713 1.00 0.00 C ATOM 1554 CE3 TRP A 99 -2.347 -8.686 -4.660 1.00 0.00 C ATOM 1555 CZ2 TRP A 99 -2.264 -8.757 -7.469 1.00 0.00 C ATOM 1556 CZ3 TRP A 99 -2.678 -7.566 -5.413 1.00 0.00 C ATOM 1557 CH2 TRP A 99 -2.638 -7.602 -6.783 1.00 0.00 C ATOM 0 H TRP A 99 -2.103 -12.668 -1.148 1.00 0.00 H new ATOM 0 HA TRP A 99 -3.324 -10.773 -2.739 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -0.872 -11.083 -2.856 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -1.061 -12.715 -3.463 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -1.061 -12.946 -6.034 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -1.448 -11.425 -8.080 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -2.380 -8.649 -3.581 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 -2.229 -8.782 -8.548 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 -2.971 -6.655 -4.912 1.00 0.00 H new ATOM 0 HH2 TRP A 99 -2.902 -6.717 -7.343 1.00 0.00 H new ATOM 1568 N SER A 100 -4.513 -11.792 -4.641 1.00 0.00 N ATOM 1569 CA SER A 100 -5.336 -12.291 -5.717 1.00 0.00 C ATOM 1570 C SER A 100 -5.317 -11.284 -6.855 1.00 0.00 C ATOM 1571 O SER A 100 -5.424 -10.090 -6.587 1.00 0.00 O ATOM 1572 CB SER A 100 -6.771 -12.496 -5.281 1.00 0.00 C ATOM 1573 OG SER A 100 -7.563 -12.885 -6.374 1.00 0.00 O ATOM 0 H SER A 100 -4.572 -10.780 -4.526 1.00 0.00 H new ATOM 0 HA SER A 100 -4.933 -13.254 -6.031 1.00 0.00 H new ATOM 0 HB2 SER A 100 -6.816 -13.257 -4.502 1.00 0.00 H new ATOM 0 HB3 SER A 100 -7.162 -11.575 -4.850 1.00 0.00 H new ATOM 0 HG SER A 100 -8.488 -13.016 -6.078 1.00 0.00 H new ATOM 1579 N PRO A 101 -5.182 -11.719 -8.117 1.00 0.00 N ATOM 1580 CA PRO A 101 -5.251 -10.898 -9.314 1.00 0.00 C ATOM 1581 C PRO A 101 -6.530 -10.060 -9.403 1.00 0.00 C ATOM 1582 O PRO A 101 -6.581 -9.058 -10.118 1.00 0.00 O ATOM 1583 CB PRO A 101 -5.176 -11.970 -10.408 1.00 0.00 C ATOM 1584 CG PRO A 101 -4.397 -13.095 -9.785 1.00 0.00 C ATOM 1585 CD PRO A 101 -4.784 -13.116 -8.327 1.00 0.00 C ATOM 0 HA PRO A 101 -4.470 -10.140 -9.369 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -6.171 -12.297 -10.711 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -4.679 -11.591 -11.301 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -4.633 -14.045 -10.265 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -3.325 -12.937 -9.901 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -5.600 -13.811 -8.128 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -3.953 -13.408 -7.685 1.00 0.00 H new ATOM 1593 N ALA A 102 -7.590 -10.483 -8.703 1.00 0.00 N ATOM 1594 CA ALA A 102 -8.853 -9.760 -8.639 1.00 0.00 C ATOM 1595 C ALA A 102 -8.729 -8.452 -7.847 1.00 0.00 C ATOM 1596 O ALA A 102 -9.580 -7.572 -7.978 1.00 0.00 O ATOM 1597 CB ALA A 102 -9.914 -10.642 -8.004 1.00 0.00 C ATOM 0 H ALA A 102 -7.588 -11.347 -8.161 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.139 -9.503 -9.659 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.858 -10.099 -7.957 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -10.043 -11.544 -8.602 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -9.603 -10.917 -6.996 1.00 0.00 H new ATOM 1603 N LEU A 103 -7.690 -8.326 -7.022 1.00 0.00 N ATOM 1604 CA LEU A 103 -7.454 -7.141 -6.216 1.00 0.00 C ATOM 1605 C LEU A 103 -6.713 -6.117 -7.057 1.00 0.00 C ATOM 1606 O LEU A 103 -5.930 -6.492 -7.933 1.00 0.00 O ATOM 1607 CB LEU A 103 -6.635 -7.516 -4.978 1.00 0.00 C ATOM 1608 CG LEU A 103 -7.307 -8.544 -4.061 1.00 0.00 C ATOM 1609 CD1 LEU A 103 -6.357 -8.924 -2.938 1.00 0.00 C ATOM 1610 CD2 LEU A 103 -8.590 -7.950 -3.506 1.00 0.00 C ATOM 0 H LEU A 103 -6.986 -9.053 -6.897 1.00 0.00 H new ATOM 0 HA LEU A 103 -8.402 -6.716 -5.885 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -5.671 -7.910 -5.301 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -6.433 -6.612 -4.403 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.550 -9.445 -4.623 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -6.837 -9.655 -2.287 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.449 -9.355 -3.360 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -6.103 -8.035 -2.360 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -9.074 -8.676 -2.852 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -8.358 -7.049 -2.939 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -9.260 -7.699 -4.328 1.00 0.00 H new ATOM 1622 N SER A 104 -6.982 -4.835 -6.813 1.00 0.00 N ATOM 1623 CA SER A 104 -6.317 -3.754 -7.537 1.00 0.00 C ATOM 1624 C SER A 104 -5.181 -3.142 -6.729 1.00 0.00 C ATOM 1625 O SER A 104 -5.053 -3.404 -5.533 1.00 0.00 O ATOM 1626 CB SER A 104 -7.330 -2.690 -7.914 1.00 0.00 C ATOM 1627 OG SER A 104 -7.845 -2.024 -6.793 1.00 0.00 O ATOM 0 H SER A 104 -7.658 -4.520 -6.117 1.00 0.00 H new ATOM 0 HA SER A 104 -5.879 -4.177 -8.441 1.00 0.00 H new ATOM 0 HB2 SER A 104 -6.862 -1.966 -8.581 1.00 0.00 H new ATOM 0 HB3 SER A 104 -8.148 -3.151 -8.468 1.00 0.00 H new ATOM 0 HG SER A 104 -8.492 -1.347 -7.083 1.00 0.00 H new ATOM 1633 N VAL A 105 -4.350 -2.322 -7.370 1.00 0.00 N ATOM 1634 CA VAL A 105 -3.283 -1.671 -6.616 1.00 0.00 C ATOM 1635 C VAL A 105 -3.918 -0.602 -5.732 1.00 0.00 C ATOM 1636 O VAL A 105 -3.373 -0.250 -4.687 1.00 0.00 O ATOM 1637 CB VAL A 105 -2.197 -1.054 -7.513 1.00 0.00 C ATOM 1638 CG1 VAL A 105 -2.675 0.231 -8.183 1.00 0.00 C ATOM 1639 CG2 VAL A 105 -0.987 -0.802 -6.631 1.00 0.00 C ATOM 0 H VAL A 105 -4.389 -2.100 -8.365 1.00 0.00 H new ATOM 0 HA VAL A 105 -2.775 -2.427 -6.017 1.00 0.00 H new ATOM 0 HB VAL A 105 -1.947 -1.735 -8.327 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -1.878 0.634 -8.807 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -3.547 0.016 -8.801 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -2.943 0.962 -7.420 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -0.187 -0.363 -7.227 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -1.259 -0.117 -5.827 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -0.645 -1.745 -6.204 1.00 0.00 H new ATOM 1649 N GLN A 106 -5.059 -0.079 -6.179 1.00 0.00 N ATOM 1650 CA GLN A 106 -5.856 0.872 -5.432 1.00 0.00 C ATOM 1651 C GLN A 106 -6.375 0.200 -4.170 1.00 0.00 C ATOM 1652 O GLN A 106 -6.391 0.828 -3.109 1.00 0.00 O ATOM 1653 CB GLN A 106 -6.985 1.403 -6.308 1.00 0.00 C ATOM 1654 CG GLN A 106 -7.844 2.445 -5.634 1.00 0.00 C ATOM 1655 CD GLN A 106 -8.819 3.099 -6.587 1.00 0.00 C ATOM 1656 OE1 GLN A 106 -8.722 2.931 -7.806 1.00 0.00 O ATOM 1657 NE2 GLN A 106 -9.756 3.859 -6.038 1.00 0.00 N ATOM 0 H GLN A 106 -5.456 -0.314 -7.089 1.00 0.00 H new ATOM 0 HA GLN A 106 -5.250 1.728 -5.135 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -6.558 1.830 -7.215 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -7.616 0.569 -6.615 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -8.396 1.982 -4.816 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -7.204 3.209 -5.194 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -9.796 3.967 -5.025 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -10.437 4.335 -6.629 1.00 0.00 H new ATOM 1666 N SER A 107 -6.806 -1.065 -4.303 1.00 0.00 N ATOM 1667 CA SER A 107 -7.264 -1.880 -3.181 1.00 0.00 C ATOM 1668 C SER A 107 -6.150 -1.934 -2.143 1.00 0.00 C ATOM 1669 O SER A 107 -6.425 -1.803 -0.949 1.00 0.00 O ATOM 1670 CB SER A 107 -7.572 -3.317 -3.596 1.00 0.00 C ATOM 1671 OG SER A 107 -8.603 -3.416 -4.542 1.00 0.00 O ATOM 0 H SER A 107 -6.844 -1.548 -5.201 1.00 0.00 H new ATOM 0 HA SER A 107 -8.176 -1.427 -2.793 1.00 0.00 H new ATOM 0 HB2 SER A 107 -6.669 -3.770 -4.005 1.00 0.00 H new ATOM 0 HB3 SER A 107 -7.845 -3.892 -2.711 1.00 0.00 H new ATOM 0 HG SER A 107 -8.411 -2.823 -5.298 1.00 0.00 H new ATOM 1677 N VAL A 108 -4.912 -2.143 -2.614 1.00 0.00 N ATOM 1678 CA VAL A 108 -3.725 -2.176 -1.762 1.00 0.00 C ATOM 1679 C VAL A 108 -3.488 -0.845 -1.053 1.00 0.00 C ATOM 1680 O VAL A 108 -3.212 -0.860 0.145 1.00 0.00 O ATOM 1681 CB VAL A 108 -2.467 -2.560 -2.575 1.00 0.00 C ATOM 1682 CG1 VAL A 108 -1.227 -2.381 -1.720 1.00 0.00 C ATOM 1683 CG2 VAL A 108 -2.582 -4.003 -3.044 1.00 0.00 C ATOM 0 H VAL A 108 -4.710 -2.294 -3.602 1.00 0.00 H new ATOM 0 HA VAL A 108 -3.909 -2.937 -1.003 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.387 -1.911 -3.447 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.344 -2.653 -2.298 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.149 -1.340 -1.406 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.296 -3.021 -0.840 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -1.694 -4.271 -3.617 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -2.668 -4.661 -2.179 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.466 -4.112 -3.672 1.00 0.00 H new ATOM 1693 N CYS A 109 -3.596 0.285 -1.760 1.00 0.00 N ATOM 1694 CA CYS A 109 -3.416 1.596 -1.127 1.00 0.00 C ATOM 1695 C CYS A 109 -4.402 1.827 0.010 1.00 0.00 C ATOM 1696 O CYS A 109 -4.016 2.267 1.097 1.00 0.00 O ATOM 1697 CB CYS A 109 -3.629 2.741 -2.126 1.00 0.00 C ATOM 1698 SG CYS A 109 -2.357 2.966 -3.387 1.00 0.00 S ATOM 0 H CYS A 109 -3.804 0.319 -2.758 1.00 0.00 H new ATOM 0 HA CYS A 109 -2.394 1.591 -0.749 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -4.582 2.580 -2.630 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -3.719 3.671 -1.564 1.00 0.00 H new ATOM 0 HG CYS A 109 -1.343 2.196 -3.123 1.00 0.00 H new ATOM 1704 N LEU A 110 -5.667 1.521 -0.261 1.00 0.00 N ATOM 1705 CA LEU A 110 -6.734 1.680 0.711 1.00 0.00 C ATOM 1706 C LEU A 110 -6.586 0.707 1.870 1.00 0.00 C ATOM 1707 O LEU A 110 -6.926 1.045 3.006 1.00 0.00 O ATOM 1708 CB LEU A 110 -8.073 1.491 -0.005 1.00 0.00 C ATOM 1709 CG LEU A 110 -8.388 2.617 -0.996 1.00 0.00 C ATOM 1710 CD1 LEU A 110 -9.635 2.288 -1.803 1.00 0.00 C ATOM 1711 CD2 LEU A 110 -8.571 3.899 -0.205 1.00 0.00 C ATOM 0 H LEU A 110 -5.977 1.156 -1.162 1.00 0.00 H new ATOM 0 HA LEU A 110 -6.685 2.680 1.141 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -8.063 0.539 -0.536 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -8.870 1.434 0.736 1.00 0.00 H new ATOM 0 HG LEU A 110 -7.569 2.735 -1.706 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -9.842 3.100 -2.501 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -9.476 1.364 -2.359 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -10.483 2.164 -1.129 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -8.797 4.718 -0.887 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -9.393 3.777 0.500 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -7.655 4.123 0.341 1.00 0.00 H new ATOM 1723 N SER A 111 -6.093 -0.496 1.577 1.00 0.00 N ATOM 1724 CA SER A 111 -5.853 -1.497 2.598 1.00 0.00 C ATOM 1725 C SER A 111 -4.773 -1.028 3.556 1.00 0.00 C ATOM 1726 O SER A 111 -4.926 -1.218 4.763 1.00 0.00 O ATOM 1727 CB SER A 111 -5.466 -2.806 1.953 1.00 0.00 C ATOM 1728 OG SER A 111 -6.537 -3.311 1.203 1.00 0.00 O ATOM 0 H SER A 111 -5.853 -0.796 0.632 1.00 0.00 H new ATOM 0 HA SER A 111 -6.769 -1.648 3.169 1.00 0.00 H new ATOM 0 HB2 SER A 111 -4.599 -2.660 1.309 1.00 0.00 H new ATOM 0 HB3 SER A 111 -5.177 -3.526 2.719 1.00 0.00 H new ATOM 0 HG SER A 111 -6.799 -2.654 0.524 1.00 0.00 H new ATOM 1734 N ILE A 112 -3.718 -0.407 3.031 1.00 0.00 N ATOM 1735 CA ILE A 112 -2.642 0.128 3.854 1.00 0.00 C ATOM 1736 C ILE A 112 -3.191 1.242 4.738 1.00 0.00 C ATOM 1737 O ILE A 112 -2.762 1.378 5.886 1.00 0.00 O ATOM 1738 CB ILE A 112 -1.468 0.594 3.000 1.00 0.00 C ATOM 1739 CG1 ILE A 112 -0.851 -0.631 2.340 1.00 0.00 C ATOM 1740 CG2 ILE A 112 -0.420 1.229 3.910 1.00 0.00 C ATOM 1741 CD1 ILE A 112 0.119 -0.299 1.245 1.00 0.00 C ATOM 0 H ILE A 112 -3.588 -0.263 2.030 1.00 0.00 H new ATOM 0 HA ILE A 112 -2.254 -0.662 4.497 1.00 0.00 H new ATOM 0 HB ILE A 112 -1.801 1.313 2.252 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -0.340 -1.224 3.099 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -1.647 -1.253 1.932 1.00 0.00 H new ATOM 0 HG21 ILE A 112 0.426 1.567 3.311 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -0.858 2.080 4.431 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -0.078 0.494 4.639 1.00 0.00 H new ATOM 0 HD11 ILE A 112 0.518 -1.220 0.821 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -0.391 0.267 0.466 1.00 0.00 H new ATOM 0 HD13 ILE A 112 0.936 0.298 1.651 1.00 0.00 H new ATOM 1753 N ILE A 113 -4.085 2.075 4.205 1.00 0.00 N ATOM 1754 CA ILE A 113 -4.728 3.065 5.059 1.00 0.00 C ATOM 1755 C ILE A 113 -5.461 2.385 6.212 1.00 0.00 C ATOM 1756 O ILE A 113 -5.384 2.877 7.339 1.00 0.00 O ATOM 1757 CB ILE A 113 -5.737 3.951 4.312 1.00 0.00 C ATOM 1758 CG1 ILE A 113 -5.011 4.853 3.327 1.00 0.00 C ATOM 1759 CG2 ILE A 113 -6.527 4.776 5.316 1.00 0.00 C ATOM 1760 CD1 ILE A 113 -5.925 5.559 2.365 1.00 0.00 C ATOM 0 H ILE A 113 -4.370 2.085 3.226 1.00 0.00 H new ATOM 0 HA ILE A 113 -3.922 3.700 5.426 1.00 0.00 H new ATOM 0 HB ILE A 113 -6.428 3.322 3.751 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -4.439 5.596 3.883 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -4.295 4.257 2.762 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -7.243 5.405 4.787 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -7.061 4.110 5.994 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -5.844 5.405 5.887 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -5.335 6.184 1.694 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -6.479 4.823 1.782 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -6.625 6.183 2.920 1.00 0.00 H new ATOM 1772 N SER A 114 -6.194 1.293 5.937 1.00 0.00 N ATOM 1773 CA SER A 114 -6.883 0.606 7.027 1.00 0.00 C ATOM 1774 C SER A 114 -5.897 -0.063 7.990 1.00 0.00 C ATOM 1775 O SER A 114 -6.259 -0.300 9.141 1.00 0.00 O ATOM 1776 CB SER A 114 -7.842 -0.456 6.524 1.00 0.00 C ATOM 1777 OG SER A 114 -7.163 -1.574 6.028 1.00 0.00 O ATOM 0 H SER A 114 -6.319 0.886 5.010 1.00 0.00 H new ATOM 0 HA SER A 114 -7.444 1.381 7.549 1.00 0.00 H new ATOM 0 HB2 SER A 114 -8.503 -0.762 7.334 1.00 0.00 H new ATOM 0 HB3 SER A 114 -8.472 -0.036 5.740 1.00 0.00 H new ATOM 0 HG SER A 114 -6.541 -1.293 5.325 1.00 0.00 H new ATOM 1783 N MET A 115 -4.682 -0.387 7.532 1.00 0.00 N ATOM 1784 CA MET A 115 -3.639 -0.900 8.416 1.00 0.00 C ATOM 1785 C MET A 115 -3.318 0.177 9.435 1.00 0.00 C ATOM 1786 O MET A 115 -3.217 -0.103 10.629 1.00 0.00 O ATOM 1787 CB MET A 115 -2.354 -1.259 7.666 1.00 0.00 C ATOM 1788 CG MET A 115 -2.393 -2.458 6.738 1.00 0.00 C ATOM 1789 SD MET A 115 -0.895 -2.547 5.738 1.00 0.00 S ATOM 1790 CE MET A 115 0.359 -2.911 6.944 1.00 0.00 C ATOM 0 H MET A 115 -4.401 -0.302 6.555 1.00 0.00 H new ATOM 0 HA MET A 115 -4.011 -1.812 8.883 1.00 0.00 H new ATOM 0 HB2 MET A 115 -2.054 -0.390 7.080 1.00 0.00 H new ATOM 0 HB3 MET A 115 -1.571 -1.431 8.405 1.00 0.00 H new ATOM 0 HG2 MET A 115 -2.500 -3.372 7.322 1.00 0.00 H new ATOM 0 HG3 MET A 115 -3.265 -2.392 6.088 1.00 0.00 H new ATOM 0 HE1 MET A 115 1.290 -3.165 6.436 1.00 0.00 H new ATOM 0 HE2 MET A 115 0.518 -2.039 7.578 1.00 0.00 H new ATOM 0 HE3 MET A 115 0.040 -3.753 7.558 1.00 0.00 H new ATOM 1800 N LEU A 116 -3.139 1.409 8.963 1.00 0.00 N ATOM 1801 CA LEU A 116 -2.882 2.506 9.883 1.00 0.00 C ATOM 1802 C LEU A 116 -4.091 2.770 10.784 1.00 0.00 C ATOM 1803 O LEU A 116 -3.920 3.084 11.962 1.00 0.00 O ATOM 1804 CB LEU A 116 -2.521 3.786 9.113 1.00 0.00 C ATOM 1805 CG LEU A 116 -1.173 3.800 8.374 1.00 0.00 C ATOM 1806 CD1 LEU A 116 -1.082 5.079 7.558 1.00 0.00 C ATOM 1807 CD2 LEU A 116 -0.022 3.720 9.370 1.00 0.00 C ATOM 0 H LEU A 116 -3.166 1.665 7.976 1.00 0.00 H new ATOM 0 HA LEU A 116 -2.039 2.217 10.511 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -3.309 3.976 8.384 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -2.530 4.618 9.817 1.00 0.00 H new ATOM 0 HG LEU A 116 -1.105 2.936 7.713 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -0.131 5.105 7.027 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -1.900 5.111 6.839 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -1.150 5.940 8.223 1.00 0.00 H new ATOM 0 HD21 LEU A 116 0.926 3.731 8.832 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -0.066 4.574 10.046 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -0.102 2.798 9.945 1.00 0.00 H new ATOM 1819 N SER A 117 -5.318 2.648 10.268 1.00 0.00 N ATOM 1820 CA SER A 117 -6.460 2.873 11.150 1.00 0.00 C ATOM 1821 C SER A 117 -6.688 1.739 12.149 1.00 0.00 C ATOM 1822 O SER A 117 -7.288 1.969 13.201 1.00 0.00 O ATOM 1823 CB SER A 117 -7.742 3.062 10.361 1.00 0.00 C ATOM 1824 OG SER A 117 -8.160 1.867 9.764 1.00 0.00 O ATOM 0 H SER A 117 -5.538 2.409 9.301 1.00 0.00 H new ATOM 0 HA SER A 117 -6.211 3.779 11.702 1.00 0.00 H new ATOM 0 HB2 SER A 117 -8.525 3.433 11.022 1.00 0.00 H new ATOM 0 HB3 SER A 117 -7.589 3.819 9.592 1.00 0.00 H new ATOM 0 HG SER A 117 -7.393 1.265 9.666 1.00 0.00 H new ATOM 1830 N SER A 118 -6.227 0.527 11.838 1.00 0.00 N ATOM 1831 CA SER A 118 -6.366 -0.589 12.765 1.00 0.00 C ATOM 1832 C SER A 118 -5.021 -1.218 13.105 1.00 0.00 C ATOM 1833 O SER A 118 -4.591 -2.195 12.489 1.00 0.00 O ATOM 1834 CB SER A 118 -7.276 -1.643 12.172 1.00 0.00 C ATOM 1835 OG SER A 118 -7.411 -2.730 13.045 1.00 0.00 O ATOM 0 H SER A 118 -5.760 0.297 10.961 1.00 0.00 H new ATOM 0 HA SER A 118 -6.797 -0.196 13.686 1.00 0.00 H new ATOM 0 HB2 SER A 118 -8.256 -1.211 11.967 1.00 0.00 H new ATOM 0 HB3 SER A 118 -6.872 -1.984 11.219 1.00 0.00 H new ATOM 0 HG SER A 118 -8.004 -3.400 12.644 1.00 0.00 H new