USER MOD reduce.3.24.130724 H: found=0, std=0, add=999, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1000 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 112 THR OG1 : rot 180:sc= 0.00169 USER MOD Set 1.2: A 115 THR OG1 : rot 54:sc= -0.871! USER MOD Set 2.1: A 56 SER OG : rot -160:sc= -2.17! USER MOD Set 2.2: A 85 MET CE :methyl -165:sc= -2.31! (180deg=-0.674) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 149:sc= -0.176 (180deg=-0.282) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -162:sc= -0.372 (180deg=-1.06) USER MOD Single : A 23 ASN : amide:sc= -0.0285 X(o=-0.029,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 170:sc= -0.3 (180deg=-0.896) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 ASN :FLIP amide:sc= 0 F(o=-0.93,f=0) USER MOD Single : A 44 ASN : amide:sc= 0.0125 X(o=0.013,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 147:sc= -0.185 (180deg=-1.55!) USER MOD Single : A 47 GLN : amide:sc= -2.78! C(o=-2.8!,f=-7!) USER MOD Single : A 51 TYR OH : rot 30:sc= -1.04 USER MOD Single : A 59 ASN :FLIP amide:sc= -1.93 F(o=-6.5!,f=-1.9) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.468 F(o=-1.4,f=-0.47) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -168:sc= -0.536 (180deg=-1.04) USER MOD Single : A 71 THR OG1 : rot -72:sc= -1.44! USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 36:sc= 0.27! USER MOD Single : A 87 THR OG1 : rot 180:sc=-0.00904 USER MOD Single : A 91 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.205) USER MOD Single : A 92 LYS NZ :NH3+ -162:sc= -0.14 (180deg=-0.832) USER MOD Single : A 94 ASN :FLIP amide:sc= -2.61! C(o=-5.7!,f=-2.6!) USER MOD Single : A 100 GLN : amide:sc= -0.538 K(o=-0.54,f=-1.3) USER MOD Single : A 104 SER OG : rot 130:sc= -1.41 USER MOD Single : A 106 TYR OH : rot 180:sc= -0.513 USER MOD Single : A 109 LYS NZ :NH3+ -108:sc= 1.44 (180deg=-0.171) USER MOD Single : A 119 LYS NZ :NH3+ 145:sc= 0.0449 (180deg=0) USER MOD Single : A 121 ASN : amide:sc= -0.137 X(o=-0.14,f=-0.48) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ -165:sc= -0.208 (180deg=-0.788) USER MOD Single : A 129 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -14.572 0.662 9.975 1.00 0.00 N ATOM 2 CA ALA A 2 -13.382 1.494 9.642 1.00 0.00 C ATOM 3 C ALA A 2 -13.842 2.818 9.030 1.00 0.00 C ATOM 4 O ALA A 2 -14.854 2.884 8.361 1.00 0.00 O ATOM 5 CB ALA A 2 -12.497 0.749 8.640 1.00 0.00 C ATOM 0 HA ALA A 2 -12.812 1.690 10.550 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.627 1.360 8.398 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.168 -0.194 9.076 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -13.065 0.550 7.731 1.00 0.00 H new ATOM 11 N ASP A 3 -13.106 3.874 9.254 1.00 0.00 N ATOM 12 CA ASP A 3 -13.497 5.195 8.686 1.00 0.00 C ATOM 13 C ASP A 3 -13.881 5.022 7.216 1.00 0.00 C ATOM 14 O ASP A 3 -13.313 4.215 6.513 1.00 0.00 O ATOM 15 CB ASP A 3 -12.311 6.159 8.787 1.00 0.00 C ATOM 16 CG ASP A 3 -12.797 7.518 9.291 1.00 0.00 C ATOM 17 OD1 ASP A 3 -13.170 8.336 8.464 1.00 0.00 O ATOM 18 OD2 ASP A 3 -12.789 7.720 10.494 1.00 0.00 O ATOM 0 H ASP A 3 -12.249 3.878 9.807 1.00 0.00 H new ATOM 0 HA ASP A 3 -14.345 5.595 9.241 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -11.559 5.756 9.465 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.835 6.270 7.813 1.00 0.00 H new ATOM 23 N LYS A 4 -14.840 5.770 6.741 1.00 0.00 N ATOM 24 CA LYS A 4 -15.238 5.637 5.310 1.00 0.00 C ATOM 25 C LYS A 4 -14.411 6.605 4.463 1.00 0.00 C ATOM 26 O LYS A 4 -14.768 6.918 3.345 1.00 0.00 O ATOM 27 CB LYS A 4 -16.719 5.972 5.140 1.00 0.00 C ATOM 28 CG LYS A 4 -17.547 5.200 6.169 1.00 0.00 C ATOM 29 CD LYS A 4 -18.632 4.396 5.447 1.00 0.00 C ATOM 30 CE LYS A 4 -19.565 5.346 4.693 1.00 0.00 C ATOM 31 NZ LYS A 4 -20.981 4.946 4.931 1.00 0.00 N ATOM 0 H LYS A 4 -15.362 6.463 7.278 1.00 0.00 H new ATOM 0 HA LYS A 4 -15.062 4.610 4.989 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.875 7.044 5.264 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -17.045 5.717 4.132 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -16.904 4.532 6.742 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -18.002 5.891 6.879 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -18.174 3.693 4.751 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -19.201 3.808 6.167 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -19.405 6.371 5.027 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -19.343 5.320 3.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -21.615 5.592 4.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -21.129 3.974 4.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -21.189 4.993 5.949 1.00 0.00 H new ATOM 45 N GLU A 5 -13.319 7.092 4.984 1.00 0.00 N ATOM 46 CA GLU A 5 -12.488 8.047 4.200 1.00 0.00 C ATOM 47 C GLU A 5 -11.026 7.943 4.641 1.00 0.00 C ATOM 48 O GLU A 5 -10.353 8.936 4.828 1.00 0.00 O ATOM 49 CB GLU A 5 -12.990 9.475 4.434 1.00 0.00 C ATOM 50 CG GLU A 5 -14.396 9.627 3.850 1.00 0.00 C ATOM 51 CD GLU A 5 -14.759 11.111 3.773 1.00 0.00 C ATOM 52 OE1 GLU A 5 -14.214 11.790 2.918 1.00 0.00 O ATOM 53 OE2 GLU A 5 -15.574 11.544 4.570 1.00 0.00 O ATOM 0 H GLU A 5 -12.967 6.871 5.916 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.564 7.803 3.140 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -13.003 9.696 5.501 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.312 10.190 3.968 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.439 9.179 2.857 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -15.118 9.097 4.471 1.00 0.00 H new ATOM 60 N LEU A 6 -10.528 6.748 4.800 1.00 0.00 N ATOM 61 CA LEU A 6 -9.121 6.574 5.215 1.00 0.00 C ATOM 62 C LEU A 6 -8.218 6.992 4.046 1.00 0.00 C ATOM 63 O LEU A 6 -8.554 6.791 2.899 1.00 0.00 O ATOM 64 CB LEU A 6 -8.926 5.104 5.592 1.00 0.00 C ATOM 65 CG LEU A 6 -7.488 4.829 6.028 1.00 0.00 C ATOM 66 CD1 LEU A 6 -7.134 5.695 7.228 1.00 0.00 C ATOM 67 CD2 LEU A 6 -7.369 3.363 6.428 1.00 0.00 C ATOM 0 H LEU A 6 -11.046 5.881 4.657 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.865 7.191 6.076 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.610 4.839 6.399 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -9.177 4.472 4.741 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.810 5.057 5.205 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.107 5.493 7.532 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.232 6.747 6.959 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.809 5.467 8.053 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -6.346 3.153 6.742 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.051 3.154 7.252 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.624 2.732 5.577 1.00 0.00 H new ATOM 79 N LYS A 7 -7.101 7.611 4.321 1.00 0.00 N ATOM 80 CA LYS A 7 -6.210 8.083 3.212 1.00 0.00 C ATOM 81 C LYS A 7 -5.393 6.928 2.627 1.00 0.00 C ATOM 82 O LYS A 7 -4.777 6.165 3.347 1.00 0.00 O ATOM 83 CB LYS A 7 -5.253 9.147 3.752 1.00 0.00 C ATOM 84 CG LYS A 7 -5.769 10.538 3.378 1.00 0.00 C ATOM 85 CD LYS A 7 -4.989 11.600 4.157 1.00 0.00 C ATOM 86 CE LYS A 7 -4.510 12.691 3.197 1.00 0.00 C ATOM 87 NZ LYS A 7 -3.412 12.157 2.345 1.00 0.00 N ATOM 0 H LYS A 7 -6.764 7.812 5.263 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.837 8.498 2.423 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.168 9.058 4.835 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.255 8.995 3.341 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.657 10.703 2.306 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.833 10.615 3.603 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.621 12.035 4.932 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.136 11.144 4.660 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.337 13.029 2.573 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.160 13.557 3.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.436 12.623 1.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.496 12.342 2.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.536 11.132 2.221 1.00 0.00 H new ATOM 101 N PHE A 8 -5.372 6.812 1.318 1.00 0.00 N ATOM 102 CA PHE A 8 -4.591 5.731 0.659 1.00 0.00 C ATOM 103 C PHE A 8 -3.590 6.338 -0.317 1.00 0.00 C ATOM 104 O PHE A 8 -3.863 7.338 -0.946 1.00 0.00 O ATOM 105 CB PHE A 8 -5.528 4.845 -0.163 1.00 0.00 C ATOM 106 CG PHE A 8 -6.426 4.031 0.728 1.00 0.00 C ATOM 107 CD1 PHE A 8 -7.579 4.607 1.256 1.00 0.00 C ATOM 108 CD2 PHE A 8 -6.112 2.698 1.016 1.00 0.00 C ATOM 109 CE1 PHE A 8 -8.422 3.856 2.075 1.00 0.00 C ATOM 110 CE2 PHE A 8 -6.958 1.942 1.840 1.00 0.00 C ATOM 111 CZ PHE A 8 -8.113 2.523 2.370 1.00 0.00 C ATOM 0 H PHE A 8 -5.870 7.430 0.678 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.084 5.156 1.434 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.133 5.466 -0.824 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.941 4.181 -0.797 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.820 5.635 1.031 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -5.219 2.252 0.604 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.316 4.304 2.483 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -6.718 0.913 2.064 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.766 1.944 3.006 1.00 0.00 H new ATOM 121 N LEU A 9 -2.456 5.712 -0.483 1.00 0.00 N ATOM 122 CA LEU A 9 -1.460 6.219 -1.474 1.00 0.00 C ATOM 123 C LEU A 9 -1.085 5.070 -2.408 1.00 0.00 C ATOM 124 O LEU A 9 -0.428 4.126 -2.017 1.00 0.00 O ATOM 125 CB LEU A 9 -0.201 6.745 -0.779 1.00 0.00 C ATOM 126 CG LEU A 9 0.740 7.376 -1.823 1.00 0.00 C ATOM 127 CD1 LEU A 9 0.299 8.805 -2.149 1.00 0.00 C ATOM 128 CD2 LEU A 9 2.163 7.398 -1.276 1.00 0.00 C ATOM 0 H LEU A 9 -2.175 4.872 0.024 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.902 7.044 -2.032 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.472 7.484 -0.025 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.307 5.932 -0.261 1.00 0.00 H new ATOM 0 HG LEU A 9 0.702 6.780 -2.735 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.975 9.235 -2.888 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.715 8.791 -2.550 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.322 9.409 -1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.830 7.844 -2.014 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.191 7.986 -0.359 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.487 6.379 -1.064 1.00 0.00 H new ATOM 140 N VAL A 10 -1.492 5.152 -3.644 1.00 0.00 N ATOM 141 CA VAL A 10 -1.158 4.078 -4.613 1.00 0.00 C ATOM 142 C VAL A 10 0.094 4.489 -5.392 1.00 0.00 C ATOM 143 O VAL A 10 0.045 5.346 -6.255 1.00 0.00 O ATOM 144 CB VAL A 10 -2.336 3.882 -5.569 1.00 0.00 C ATOM 145 CG1 VAL A 10 -3.350 2.929 -4.935 1.00 0.00 C ATOM 146 CG2 VAL A 10 -3.010 5.230 -5.834 1.00 0.00 C ATOM 0 H VAL A 10 -2.044 5.921 -4.024 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.966 3.141 -4.091 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.974 3.464 -6.508 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.191 2.788 -5.614 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.874 1.968 -4.741 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.709 3.352 -3.997 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.849 5.090 -6.515 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.372 5.647 -4.894 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.290 5.915 -6.282 1.00 0.00 H new ATOM 156 N VAL A 11 1.219 3.893 -5.085 1.00 0.00 N ATOM 157 CA VAL A 11 2.474 4.258 -5.795 1.00 0.00 C ATOM 158 C VAL A 11 2.759 3.241 -6.904 1.00 0.00 C ATOM 159 O VAL A 11 3.335 2.197 -6.671 1.00 0.00 O ATOM 160 CB VAL A 11 3.645 4.296 -4.804 1.00 0.00 C ATOM 161 CG1 VAL A 11 4.931 4.671 -5.542 1.00 0.00 C ATOM 162 CG2 VAL A 11 3.359 5.345 -3.727 1.00 0.00 C ATOM 0 H VAL A 11 1.318 3.170 -4.373 1.00 0.00 H new ATOM 0 HA VAL A 11 2.356 5.246 -6.241 1.00 0.00 H new ATOM 0 HB VAL A 11 3.763 3.315 -4.344 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.761 4.697 -4.836 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.136 3.931 -6.315 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.814 5.653 -6.001 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.188 5.376 -3.020 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.243 6.323 -4.194 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.442 5.084 -3.199 1.00 0.00 H new ATOM 172 N ASP A 12 2.356 3.546 -8.110 1.00 0.00 N ATOM 173 CA ASP A 12 2.597 2.609 -9.246 1.00 0.00 C ATOM 174 C ASP A 12 2.942 3.416 -10.501 1.00 0.00 C ATOM 175 O ASP A 12 3.353 4.556 -10.420 1.00 0.00 O ATOM 176 CB ASP A 12 1.333 1.783 -9.501 1.00 0.00 C ATOM 177 CG ASP A 12 1.725 0.381 -9.970 1.00 0.00 C ATOM 178 OD1 ASP A 12 2.509 0.285 -10.899 1.00 0.00 O ATOM 179 OD2 ASP A 12 1.232 -0.574 -9.391 1.00 0.00 O ATOM 0 H ASP A 12 1.869 4.407 -8.357 1.00 0.00 H new ATOM 0 HA ASP A 12 3.423 1.941 -9.002 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.737 1.720 -8.590 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.713 2.270 -10.254 1.00 0.00 H new ATOM 184 N ASP A 13 2.780 2.833 -11.660 1.00 0.00 N ATOM 185 CA ASP A 13 3.103 3.566 -12.921 1.00 0.00 C ATOM 186 C ASP A 13 2.060 3.231 -13.988 1.00 0.00 C ATOM 187 O ASP A 13 2.136 3.694 -15.109 1.00 0.00 O ATOM 188 CB ASP A 13 4.489 3.147 -13.413 1.00 0.00 C ATOM 189 CG ASP A 13 5.204 2.357 -12.316 1.00 0.00 C ATOM 190 OD1 ASP A 13 5.031 1.149 -12.274 1.00 0.00 O ATOM 191 OD2 ASP A 13 5.912 2.972 -11.536 1.00 0.00 O ATOM 0 H ASP A 13 2.438 1.881 -11.788 1.00 0.00 H new ATOM 0 HA ASP A 13 3.094 4.639 -12.730 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.398 2.539 -14.313 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.073 4.028 -13.681 1.00 0.00 H new ATOM 196 N PHE A 14 1.086 2.432 -13.652 1.00 0.00 N ATOM 197 CA PHE A 14 0.041 2.073 -14.652 1.00 0.00 C ATOM 198 C PHE A 14 -1.116 3.067 -14.557 1.00 0.00 C ATOM 199 O PHE A 14 -1.984 2.947 -13.714 1.00 0.00 O ATOM 200 CB PHE A 14 -0.471 0.659 -14.369 1.00 0.00 C ATOM 201 CG PHE A 14 0.351 -0.337 -15.151 1.00 0.00 C ATOM 202 CD1 PHE A 14 0.219 -0.412 -16.543 1.00 0.00 C ATOM 203 CD2 PHE A 14 1.245 -1.184 -14.487 1.00 0.00 C ATOM 204 CE1 PHE A 14 0.982 -1.334 -17.270 1.00 0.00 C ATOM 205 CE2 PHE A 14 2.008 -2.107 -15.213 1.00 0.00 C ATOM 206 CZ PHE A 14 1.877 -2.182 -16.605 1.00 0.00 C ATOM 0 H PHE A 14 0.968 2.012 -12.730 1.00 0.00 H new ATOM 0 HA PHE A 14 0.467 2.109 -15.655 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.406 0.443 -13.303 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -1.522 0.578 -14.647 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.471 0.241 -17.056 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.347 -1.126 -13.413 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.880 -1.391 -18.344 1.00 0.00 H new ATOM 0 HE2 PHE A 14 2.697 -2.761 -14.699 1.00 0.00 H new ATOM 0 HZ PHE A 14 2.466 -2.893 -17.166 1.00 0.00 H new ATOM 216 N SER A 15 -1.135 4.049 -15.415 1.00 0.00 N ATOM 217 CA SER A 15 -2.234 5.056 -15.379 1.00 0.00 C ATOM 218 C SER A 15 -3.582 4.342 -15.257 1.00 0.00 C ATOM 219 O SER A 15 -4.586 4.945 -14.931 1.00 0.00 O ATOM 220 CB SER A 15 -2.209 5.881 -16.665 1.00 0.00 C ATOM 221 OG SER A 15 -3.457 5.744 -17.334 1.00 0.00 O ATOM 0 H SER A 15 -0.435 4.198 -16.142 1.00 0.00 H new ATOM 0 HA SER A 15 -2.095 5.713 -14.521 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.020 6.929 -16.435 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.398 5.545 -17.311 1.00 0.00 H new ATOM 0 HG SER A 15 -3.446 6.273 -18.159 1.00 0.00 H new ATOM 227 N THR A 16 -3.614 3.064 -15.520 1.00 0.00 N ATOM 228 CA THR A 16 -4.900 2.315 -15.421 1.00 0.00 C ATOM 229 C THR A 16 -5.031 1.696 -14.028 1.00 0.00 C ATOM 230 O THR A 16 -6.112 1.594 -13.484 1.00 0.00 O ATOM 231 CB THR A 16 -4.932 1.203 -16.475 1.00 0.00 C ATOM 232 OG1 THR A 16 -5.067 -0.055 -15.828 1.00 0.00 O ATOM 233 CG2 THR A 16 -3.637 1.219 -17.291 1.00 0.00 C ATOM 0 H THR A 16 -2.807 2.506 -15.799 1.00 0.00 H new ATOM 0 HA THR A 16 -5.728 3.003 -15.592 1.00 0.00 H new ATOM 0 HB THR A 16 -5.778 1.366 -17.143 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.089 -0.768 -16.500 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.668 0.426 -18.038 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.533 2.183 -17.789 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.787 1.060 -16.628 1.00 0.00 H new ATOM 241 N MET A 17 -3.941 1.279 -13.445 1.00 0.00 N ATOM 242 CA MET A 17 -4.010 0.665 -12.089 1.00 0.00 C ATOM 243 C MET A 17 -4.684 1.635 -11.115 1.00 0.00 C ATOM 244 O MET A 17 -5.671 1.311 -10.485 1.00 0.00 O ATOM 245 CB MET A 17 -2.597 0.351 -11.594 1.00 0.00 C ATOM 246 CG MET A 17 -2.647 -0.005 -10.107 1.00 0.00 C ATOM 247 SD MET A 17 -1.377 -1.239 -9.739 1.00 0.00 S ATOM 248 CE MET A 17 -2.173 -1.956 -8.280 1.00 0.00 C ATOM 0 H MET A 17 -3.006 1.337 -13.849 1.00 0.00 H new ATOM 0 HA MET A 17 -4.591 -0.256 -12.144 1.00 0.00 H new ATOM 0 HB2 MET A 17 -2.176 -0.477 -12.164 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.945 1.210 -11.752 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.487 0.888 -9.503 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.632 -0.393 -9.848 1.00 0.00 H new ATOM 0 HE1 MET A 17 -1.437 -2.513 -7.701 1.00 0.00 H new ATOM 0 HE2 MET A 17 -2.591 -1.159 -7.665 1.00 0.00 H new ATOM 0 HE3 MET A 17 -2.971 -2.628 -8.594 1.00 0.00 H new ATOM 258 N ARG A 18 -4.156 2.822 -10.986 1.00 0.00 N ATOM 259 CA ARG A 18 -4.761 3.813 -10.049 1.00 0.00 C ATOM 260 C ARG A 18 -6.265 3.852 -10.248 1.00 0.00 C ATOM 261 O ARG A 18 -7.020 4.064 -9.320 1.00 0.00 O ATOM 262 CB ARG A 18 -4.164 5.203 -10.320 1.00 0.00 C ATOM 263 CG ARG A 18 -5.201 6.181 -10.901 1.00 0.00 C ATOM 264 CD ARG A 18 -4.512 7.511 -11.224 1.00 0.00 C ATOM 265 NE ARG A 18 -5.088 8.590 -10.372 1.00 0.00 N ATOM 266 CZ ARG A 18 -6.319 8.980 -10.554 1.00 0.00 C ATOM 267 NH1 ARG A 18 -6.848 8.936 -11.746 1.00 0.00 N ATOM 268 NH2 ARG A 18 -7.021 9.414 -9.544 1.00 0.00 N ATOM 0 H ARG A 18 -3.331 3.149 -11.489 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.545 3.521 -9.021 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.763 5.611 -9.392 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.329 5.108 -11.014 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.650 5.762 -11.802 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.009 6.340 -10.187 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.439 7.429 -11.049 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.645 7.755 -12.278 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.518 9.024 -9.646 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.299 8.597 -12.536 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.811 9.241 -11.888 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.607 9.448 -8.612 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.984 9.719 -9.686 1.00 0.00 H new ATOM 282 N ARG A 19 -6.711 3.690 -11.455 1.00 0.00 N ATOM 283 CA ARG A 19 -8.164 3.764 -11.695 1.00 0.00 C ATOM 284 C ARG A 19 -8.851 2.509 -11.150 1.00 0.00 C ATOM 285 O ARG A 19 -9.957 2.561 -10.651 1.00 0.00 O ATOM 286 CB ARG A 19 -8.438 3.893 -13.195 1.00 0.00 C ATOM 287 CG ARG A 19 -9.863 3.423 -13.496 1.00 0.00 C ATOM 288 CD ARG A 19 -10.320 3.999 -14.838 1.00 0.00 C ATOM 289 NE ARG A 19 -11.058 5.273 -14.604 1.00 0.00 N ATOM 290 CZ ARG A 19 -12.349 5.322 -14.787 1.00 0.00 C ATOM 291 NH1 ARG A 19 -12.854 5.036 -15.957 1.00 0.00 N ATOM 292 NH2 ARG A 19 -13.135 5.656 -13.801 1.00 0.00 N ATOM 0 H ARG A 19 -6.135 3.511 -12.278 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.562 4.639 -11.181 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.311 4.928 -13.511 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.720 3.297 -13.759 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.899 2.334 -13.525 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.538 3.743 -12.702 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -9.459 4.178 -15.482 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.961 3.284 -15.354 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.554 6.106 -14.301 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -12.239 4.774 -16.728 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -13.863 5.074 -16.100 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -12.740 5.879 -12.887 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -14.144 5.694 -13.944 1.00 0.00 H new ATOM 306 N ILE A 20 -8.206 1.380 -11.247 1.00 0.00 N ATOM 307 CA ILE A 20 -8.821 0.120 -10.742 1.00 0.00 C ATOM 308 C ILE A 20 -8.980 0.206 -9.222 1.00 0.00 C ATOM 309 O ILE A 20 -10.052 0.006 -8.688 1.00 0.00 O ATOM 310 CB ILE A 20 -7.920 -1.070 -11.120 1.00 0.00 C ATOM 311 CG1 ILE A 20 -8.453 -1.728 -12.396 1.00 0.00 C ATOM 312 CG2 ILE A 20 -7.896 -2.115 -9.994 1.00 0.00 C ATOM 313 CD1 ILE A 20 -8.629 -0.674 -13.492 1.00 0.00 C ATOM 0 H ILE A 20 -7.277 1.275 -11.655 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.804 -0.022 -11.191 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.908 -0.698 -11.280 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -7.763 -2.502 -12.732 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -9.406 -2.216 -12.193 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -7.253 -2.947 -10.283 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.511 -1.659 -9.082 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.907 -2.482 -9.817 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -9.008 -1.149 -14.396 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -9.336 0.085 -13.157 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -7.668 -0.206 -13.704 1.00 0.00 H new ATOM 325 N VAL A 21 -7.919 0.491 -8.518 1.00 0.00 N ATOM 326 CA VAL A 21 -8.017 0.573 -7.033 1.00 0.00 C ATOM 327 C VAL A 21 -9.006 1.675 -6.639 1.00 0.00 C ATOM 328 O VAL A 21 -9.696 1.574 -5.644 1.00 0.00 O ATOM 329 CB VAL A 21 -6.641 0.873 -6.435 1.00 0.00 C ATOM 330 CG1 VAL A 21 -6.195 -0.312 -5.577 1.00 0.00 C ATOM 331 CG2 VAL A 21 -5.626 1.089 -7.558 1.00 0.00 C ATOM 0 H VAL A 21 -6.992 0.670 -8.905 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.372 -0.382 -6.646 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.702 1.773 -5.823 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.215 -0.103 -5.149 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.915 -0.471 -4.774 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.137 -1.208 -6.196 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.647 1.302 -7.128 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.565 0.190 -8.171 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.941 1.929 -8.177 1.00 0.00 H new ATOM 341 N ARG A 22 -9.087 2.722 -7.413 1.00 0.00 N ATOM 342 CA ARG A 22 -10.039 3.822 -7.084 1.00 0.00 C ATOM 343 C ARG A 22 -11.426 3.234 -6.832 1.00 0.00 C ATOM 344 O ARG A 22 -12.040 3.468 -5.809 1.00 0.00 O ATOM 345 CB ARG A 22 -10.119 4.789 -8.264 1.00 0.00 C ATOM 346 CG ARG A 22 -9.392 6.090 -7.916 1.00 0.00 C ATOM 347 CD ARG A 22 -9.493 7.062 -9.094 1.00 0.00 C ATOM 348 NE ARG A 22 -10.578 8.050 -8.830 1.00 0.00 N ATOM 349 CZ ARG A 22 -11.147 8.674 -9.823 1.00 0.00 C ATOM 350 NH1 ARG A 22 -10.416 9.269 -10.726 1.00 0.00 N ATOM 351 NH2 ARG A 22 -12.448 8.706 -9.915 1.00 0.00 N ATOM 0 H ARG A 22 -8.535 2.864 -8.259 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.693 4.348 -6.194 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.671 4.336 -9.148 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -11.161 4.997 -8.506 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -9.831 6.537 -7.024 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -8.346 5.885 -7.689 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.543 7.578 -9.236 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.700 6.515 -10.014 1.00 0.00 H new ATOM 0 HE ARG A 22 -10.875 8.238 -7.872 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -9.399 9.246 -10.655 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -10.862 9.757 -11.503 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -13.021 8.243 -9.210 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -12.892 9.195 -10.692 1.00 0.00 H new ATOM 365 N ASN A 23 -11.919 2.470 -7.763 1.00 0.00 N ATOM 366 CA ASN A 23 -13.254 1.852 -7.616 1.00 0.00 C ATOM 367 C ASN A 23 -13.214 0.833 -6.489 1.00 0.00 C ATOM 368 O ASN A 23 -13.952 0.908 -5.530 1.00 0.00 O ATOM 369 CB ASN A 23 -13.554 1.128 -8.913 1.00 0.00 C ATOM 370 CG ASN A 23 -14.981 1.435 -9.374 1.00 0.00 C ATOM 371 OD1 ASN A 23 -15.201 1.791 -10.514 1.00 0.00 O ATOM 372 ND2 ASN A 23 -15.967 1.312 -8.527 1.00 0.00 N ATOM 0 H ASN A 23 -11.440 2.246 -8.635 1.00 0.00 H new ATOM 0 HA ASN A 23 -14.009 2.606 -7.395 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.843 1.433 -9.681 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.432 0.054 -8.774 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -16.922 1.515 -8.823 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -15.782 1.013 -7.569 1.00 0.00 H new ATOM 379 N LEU A 24 -12.347 -0.126 -6.626 1.00 0.00 N ATOM 380 CA LEU A 24 -12.208 -1.197 -5.601 1.00 0.00 C ATOM 381 C LEU A 24 -12.300 -0.586 -4.198 1.00 0.00 C ATOM 382 O LEU A 24 -12.975 -1.102 -3.329 1.00 0.00 O ATOM 383 CB LEU A 24 -10.834 -1.844 -5.804 1.00 0.00 C ATOM 384 CG LEU A 24 -10.756 -3.257 -5.178 1.00 0.00 C ATOM 385 CD1 LEU A 24 -10.239 -4.240 -6.230 1.00 0.00 C ATOM 386 CD2 LEU A 24 -9.795 -3.289 -3.973 1.00 0.00 C ATOM 0 H LEU A 24 -11.715 -0.216 -7.421 1.00 0.00 H new ATOM 0 HA LEU A 24 -13.001 -1.939 -5.702 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.618 -1.908 -6.871 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.066 -1.209 -5.361 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.755 -3.531 -4.838 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.181 -5.239 -5.797 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.919 -4.253 -7.082 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.248 -3.930 -6.562 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.765 -4.297 -3.558 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.795 -3.000 -4.297 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.144 -2.593 -3.210 1.00 0.00 H new ATOM 398 N LEU A 25 -11.638 0.515 -3.976 1.00 0.00 N ATOM 399 CA LEU A 25 -11.696 1.168 -2.638 1.00 0.00 C ATOM 400 C LEU A 25 -13.064 1.829 -2.467 1.00 0.00 C ATOM 401 O LEU A 25 -13.673 1.756 -1.419 1.00 0.00 O ATOM 402 CB LEU A 25 -10.594 2.227 -2.546 1.00 0.00 C ATOM 403 CG LEU A 25 -9.329 1.605 -1.954 1.00 0.00 C ATOM 404 CD1 LEU A 25 -8.104 2.371 -2.456 1.00 0.00 C ATOM 405 CD2 LEU A 25 -9.384 1.685 -0.427 1.00 0.00 C ATOM 0 H LEU A 25 -11.057 0.992 -4.666 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.549 0.426 -1.853 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.383 2.632 -3.535 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.927 3.059 -1.925 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.261 0.561 -2.261 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.201 1.929 -2.035 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.062 2.317 -3.544 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.175 3.414 -2.147 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.482 1.241 -0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.452 2.729 -0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.257 1.142 -0.065 1.00 0.00 H new ATOM 417 N LYS A 26 -13.554 2.470 -3.490 1.00 0.00 N ATOM 418 CA LYS A 26 -14.878 3.127 -3.386 1.00 0.00 C ATOM 419 C LYS A 26 -15.954 2.070 -3.132 1.00 0.00 C ATOM 420 O LYS A 26 -16.978 2.345 -2.539 1.00 0.00 O ATOM 421 CB LYS A 26 -15.189 3.871 -4.688 1.00 0.00 C ATOM 422 CG LYS A 26 -16.487 4.667 -4.526 1.00 0.00 C ATOM 423 CD LYS A 26 -17.518 4.189 -5.553 1.00 0.00 C ATOM 424 CE LYS A 26 -18.863 4.869 -5.288 1.00 0.00 C ATOM 425 NZ LYS A 26 -18.635 6.210 -4.677 1.00 0.00 N ATOM 0 H LYS A 26 -13.091 2.565 -4.394 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.864 3.838 -2.560 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.368 4.542 -4.941 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -15.285 3.162 -5.510 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -16.879 4.540 -3.517 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -16.292 5.731 -4.661 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -17.175 4.420 -6.562 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -17.629 3.106 -5.494 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -19.419 4.973 -6.220 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -19.468 4.253 -4.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -19.531 6.738 -4.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -18.276 6.093 -3.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -17.938 6.735 -5.243 1.00 0.00 H new ATOM 439 N GLU A 27 -15.737 0.859 -3.579 1.00 0.00 N ATOM 440 CA GLU A 27 -16.753 -0.200 -3.362 1.00 0.00 C ATOM 441 C GLU A 27 -16.978 -0.387 -1.862 1.00 0.00 C ATOM 442 O GLU A 27 -18.081 -0.640 -1.417 1.00 0.00 O ATOM 443 CB GLU A 27 -16.267 -1.515 -3.980 1.00 0.00 C ATOM 444 CG GLU A 27 -17.090 -2.685 -3.430 1.00 0.00 C ATOM 445 CD GLU A 27 -18.570 -2.300 -3.385 1.00 0.00 C ATOM 446 OE1 GLU A 27 -19.060 -1.790 -4.380 1.00 0.00 O ATOM 447 OE2 GLU A 27 -19.188 -2.522 -2.357 1.00 0.00 O ATOM 0 H GLU A 27 -14.901 0.564 -4.083 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.690 0.093 -3.835 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -16.359 -1.473 -5.065 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.211 -1.664 -3.755 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -16.953 -3.565 -4.058 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -16.743 -2.948 -2.431 1.00 0.00 H new ATOM 454 N LEU A 28 -15.945 -0.260 -1.078 1.00 0.00 N ATOM 455 CA LEU A 28 -16.106 -0.428 0.394 1.00 0.00 C ATOM 456 C LEU A 28 -16.648 0.871 0.991 1.00 0.00 C ATOM 457 O LEU A 28 -17.700 0.900 1.597 1.00 0.00 O ATOM 458 CB LEU A 28 -14.745 -0.754 1.023 1.00 0.00 C ATOM 459 CG LEU A 28 -14.930 -1.583 2.304 1.00 0.00 C ATOM 460 CD1 LEU A 28 -15.890 -0.864 3.254 1.00 0.00 C ATOM 461 CD2 LEU A 28 -15.492 -2.969 1.964 1.00 0.00 C ATOM 0 H LEU A 28 -14.998 -0.048 -1.391 1.00 0.00 H new ATOM 0 HA LEU A 28 -16.802 -1.242 0.597 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -14.131 -1.306 0.311 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.214 0.169 1.254 1.00 0.00 H new ATOM 0 HG LEU A 28 -13.960 -1.700 2.786 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -16.017 -1.457 4.160 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -15.482 0.113 3.513 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -16.856 -0.735 2.766 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -15.618 -3.545 2.881 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -16.457 -2.859 1.469 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -14.801 -3.489 1.300 1.00 0.00 H new ATOM 473 N GLY A 29 -15.929 1.943 0.827 1.00 0.00 N ATOM 474 CA GLY A 29 -16.380 3.241 1.379 1.00 0.00 C ATOM 475 C GLY A 29 -15.168 4.152 1.570 1.00 0.00 C ATOM 476 O GLY A 29 -14.718 4.372 2.676 1.00 0.00 O ATOM 0 H GLY A 29 -15.040 1.973 0.329 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.098 3.707 0.704 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.889 3.088 2.331 1.00 0.00 H new ATOM 480 N PHE A 30 -14.626 4.676 0.506 1.00 0.00 N ATOM 481 CA PHE A 30 -13.436 5.561 0.646 1.00 0.00 C ATOM 482 C PHE A 30 -13.420 6.599 -0.478 1.00 0.00 C ATOM 483 O PHE A 30 -13.808 6.324 -1.597 1.00 0.00 O ATOM 484 CB PHE A 30 -12.165 4.710 0.573 1.00 0.00 C ATOM 485 CG PHE A 30 -12.048 3.879 1.821 1.00 0.00 C ATOM 486 CD1 PHE A 30 -11.794 4.506 3.036 1.00 0.00 C ATOM 487 CD2 PHE A 30 -12.187 2.487 1.763 1.00 0.00 C ATOM 488 CE1 PHE A 30 -11.672 3.749 4.205 1.00 0.00 C ATOM 489 CE2 PHE A 30 -12.068 1.725 2.930 1.00 0.00 C ATOM 490 CZ PHE A 30 -11.808 2.356 4.153 1.00 0.00 C ATOM 0 H PHE A 30 -14.953 4.531 -0.449 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.482 6.077 1.605 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -12.196 4.065 -0.305 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -11.290 5.351 0.467 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.691 5.580 3.077 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -12.386 2.002 0.819 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -11.473 4.238 5.147 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -12.176 0.651 2.888 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.713 1.769 5.055 1.00 0.00 H new ATOM 500 N ASN A 31 -12.972 7.794 -0.190 1.00 0.00 N ATOM 501 CA ASN A 31 -12.931 8.849 -1.243 1.00 0.00 C ATOM 502 C ASN A 31 -11.768 9.820 -0.956 1.00 0.00 C ATOM 503 O ASN A 31 -11.955 10.996 -0.716 1.00 0.00 O ATOM 504 CB ASN A 31 -14.279 9.589 -1.261 1.00 0.00 C ATOM 505 CG ASN A 31 -14.816 9.627 -2.692 1.00 0.00 C ATOM 506 OD1 ASN A 31 -14.294 10.333 -3.532 1.00 0.00 O ATOM 507 ND2 ASN A 31 -15.845 8.889 -3.009 1.00 0.00 N ATOM 0 H ASN A 31 -12.634 8.083 0.728 1.00 0.00 H new ATOM 0 HA ASN A 31 -12.764 8.400 -2.222 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -14.991 9.087 -0.606 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.156 10.603 -0.880 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -16.210 8.905 -3.961 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -16.284 8.296 -2.304 1.00 0.00 H new ATOM 514 N ASN A 32 -10.557 9.328 -0.984 1.00 0.00 N ATOM 515 CA ASN A 32 -9.380 10.210 -0.719 1.00 0.00 C ATOM 516 C ASN A 32 -8.097 9.415 -0.977 1.00 0.00 C ATOM 517 O ASN A 32 -7.677 8.612 -0.164 1.00 0.00 O ATOM 518 CB ASN A 32 -9.407 10.684 0.737 1.00 0.00 C ATOM 519 CG ASN A 32 -8.915 12.131 0.811 1.00 0.00 C ATOM 520 OD1 ASN A 32 -7.731 12.382 1.300 1.00 0.00 O flip ATOM 521 ND2 ASN A 32 -9.616 13.044 0.422 1.00 0.00 N flip ATOM 0 H ASN A 32 -10.331 8.353 -1.179 1.00 0.00 H new ATOM 0 HA ASN A 32 -9.416 11.079 -1.376 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.419 10.612 1.136 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.776 10.042 1.352 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -10.541 12.849 0.040 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -9.279 14.005 0.478 1.00 0.00 H new ATOM 528 N VAL A 33 -7.478 9.612 -2.109 1.00 0.00 N ATOM 529 CA VAL A 33 -6.240 8.842 -2.410 1.00 0.00 C ATOM 530 C VAL A 33 -5.309 9.655 -3.310 1.00 0.00 C ATOM 531 O VAL A 33 -5.749 10.481 -4.084 1.00 0.00 O ATOM 532 CB VAL A 33 -6.636 7.550 -3.124 1.00 0.00 C ATOM 533 CG1 VAL A 33 -7.689 7.864 -4.187 1.00 0.00 C ATOM 534 CG2 VAL A 33 -5.409 6.929 -3.794 1.00 0.00 C ATOM 0 H VAL A 33 -7.774 10.267 -2.833 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.715 8.620 -1.481 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.042 6.847 -2.397 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.974 6.945 -4.699 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.567 8.302 -3.712 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.278 8.569 -4.909 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.698 6.008 -4.301 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.998 7.630 -4.521 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.656 6.706 -3.038 1.00 0.00 H new ATOM 544 N GLU A 34 -4.021 9.408 -3.220 1.00 0.00 N ATOM 545 CA GLU A 34 -3.046 10.139 -4.074 1.00 0.00 C ATOM 546 C GLU A 34 -2.281 9.122 -4.920 1.00 0.00 C ATOM 547 O GLU A 34 -2.606 7.949 -4.923 1.00 0.00 O ATOM 548 CB GLU A 34 -2.080 10.929 -3.194 1.00 0.00 C ATOM 549 CG GLU A 34 -2.556 12.381 -3.117 1.00 0.00 C ATOM 550 CD GLU A 34 -2.173 13.111 -4.405 1.00 0.00 C ATOM 551 OE1 GLU A 34 -1.912 12.439 -5.388 1.00 0.00 O ATOM 552 OE2 GLU A 34 -2.147 14.330 -4.386 1.00 0.00 O ATOM 0 H GLU A 34 -3.608 8.725 -2.585 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.569 10.838 -4.726 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.036 10.493 -2.196 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.072 10.884 -3.606 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.636 12.414 -2.975 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.106 12.877 -2.257 1.00 0.00 H new ATOM 559 N GLU A 35 -1.283 9.551 -5.644 1.00 0.00 N ATOM 560 CA GLU A 35 -0.524 8.593 -6.500 1.00 0.00 C ATOM 561 C GLU A 35 0.953 8.978 -6.556 1.00 0.00 C ATOM 562 O GLU A 35 1.322 10.124 -6.387 1.00 0.00 O ATOM 563 CB GLU A 35 -1.083 8.620 -7.931 1.00 0.00 C ATOM 564 CG GLU A 35 -2.615 8.642 -7.913 1.00 0.00 C ATOM 565 CD GLU A 35 -3.109 10.036 -7.518 1.00 0.00 C ATOM 566 OE1 GLU A 35 -2.279 10.921 -7.382 1.00 0.00 O ATOM 567 OE2 GLU A 35 -4.308 10.194 -7.357 1.00 0.00 O ATOM 0 H GLU A 35 -0.961 10.518 -5.680 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.627 7.597 -6.069 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.708 9.498 -8.457 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.733 7.746 -8.480 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.003 8.373 -8.895 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.990 7.900 -7.208 1.00 0.00 H new ATOM 574 N ALA A 36 1.795 8.018 -6.817 1.00 0.00 N ATOM 575 CA ALA A 36 3.254 8.294 -6.919 1.00 0.00 C ATOM 576 C ALA A 36 3.857 7.294 -7.906 1.00 0.00 C ATOM 577 O ALA A 36 3.142 6.558 -8.558 1.00 0.00 O ATOM 578 CB ALA A 36 3.914 8.143 -5.548 1.00 0.00 C ATOM 0 H ALA A 36 1.531 7.044 -6.965 1.00 0.00 H new ATOM 0 HA ALA A 36 3.422 9.313 -7.266 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.981 8.347 -5.634 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.465 8.848 -4.848 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.767 7.126 -5.183 1.00 0.00 H new ATOM 584 N GLU A 37 5.156 7.262 -8.039 1.00 0.00 N ATOM 585 CA GLU A 37 5.773 6.308 -9.004 1.00 0.00 C ATOM 586 C GLU A 37 7.108 5.789 -8.467 1.00 0.00 C ATOM 587 O GLU A 37 7.836 5.115 -9.167 1.00 0.00 O ATOM 588 CB GLU A 37 6.008 7.025 -10.332 1.00 0.00 C ATOM 589 CG GLU A 37 6.153 8.528 -10.084 1.00 0.00 C ATOM 590 CD GLU A 37 6.721 9.201 -11.335 1.00 0.00 C ATOM 591 OE1 GLU A 37 7.807 8.825 -11.743 1.00 0.00 O ATOM 592 OE2 GLU A 37 6.060 10.080 -11.862 1.00 0.00 O ATOM 0 H GLU A 37 5.812 7.851 -7.525 1.00 0.00 H new ATOM 0 HA GLU A 37 5.100 5.462 -9.146 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.906 6.637 -10.813 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.176 6.837 -11.011 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.184 8.961 -9.834 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.811 8.705 -9.233 1.00 0.00 H new ATOM 599 N ASP A 38 7.431 6.083 -7.236 1.00 0.00 N ATOM 600 CA ASP A 38 8.724 5.593 -6.668 1.00 0.00 C ATOM 601 C ASP A 38 8.845 6.060 -5.220 1.00 0.00 C ATOM 602 O ASP A 38 8.100 6.907 -4.767 1.00 0.00 O ATOM 603 CB ASP A 38 9.901 6.162 -7.471 1.00 0.00 C ATOM 604 CG ASP A 38 11.209 5.872 -6.731 1.00 0.00 C ATOM 605 OD1 ASP A 38 11.475 4.709 -6.475 1.00 0.00 O ATOM 606 OD2 ASP A 38 11.922 6.815 -6.434 1.00 0.00 O ATOM 0 H ASP A 38 6.859 6.639 -6.600 1.00 0.00 H new ATOM 0 HA ASP A 38 8.744 4.504 -6.717 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.926 5.716 -8.465 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.777 7.236 -7.606 1.00 0.00 H new ATOM 611 N GLY A 39 9.785 5.526 -4.490 1.00 0.00 N ATOM 612 CA GLY A 39 9.952 5.957 -3.076 1.00 0.00 C ATOM 613 C GLY A 39 10.334 7.437 -3.052 1.00 0.00 C ATOM 614 O GLY A 39 10.073 8.136 -2.097 1.00 0.00 O ATOM 0 H GLY A 39 10.441 4.814 -4.810 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.027 5.797 -2.521 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.723 5.361 -2.589 1.00 0.00 H new ATOM 618 N VAL A 40 10.935 7.926 -4.105 1.00 0.00 N ATOM 619 CA VAL A 40 11.309 9.368 -4.139 1.00 0.00 C ATOM 620 C VAL A 40 10.037 10.195 -4.309 1.00 0.00 C ATOM 621 O VAL A 40 9.858 11.222 -3.686 1.00 0.00 O ATOM 622 CB VAL A 40 12.252 9.637 -5.314 1.00 0.00 C ATOM 623 CG1 VAL A 40 12.340 11.143 -5.563 1.00 0.00 C ATOM 624 CG2 VAL A 40 13.645 9.093 -4.987 1.00 0.00 C ATOM 0 H VAL A 40 11.181 7.391 -4.938 1.00 0.00 H new ATOM 0 HA VAL A 40 11.815 9.639 -3.213 1.00 0.00 H new ATOM 0 HB VAL A 40 11.869 9.142 -6.206 1.00 0.00 H new ATOM 0 HG11 VAL A 40 13.012 11.335 -6.400 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.349 11.532 -5.797 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.722 11.638 -4.670 1.00 0.00 H new ATOM 0 HG21 VAL A 40 14.316 9.285 -5.824 1.00 0.00 H new ATOM 0 HG22 VAL A 40 14.028 9.587 -4.094 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.584 8.019 -4.810 1.00 0.00 H new ATOM 634 N ASP A 41 9.141 9.738 -5.140 1.00 0.00 N ATOM 635 CA ASP A 41 7.869 10.475 -5.346 1.00 0.00 C ATOM 636 C ASP A 41 7.034 10.354 -4.076 1.00 0.00 C ATOM 637 O ASP A 41 6.484 11.318 -3.581 1.00 0.00 O ATOM 638 CB ASP A 41 7.111 9.849 -6.514 1.00 0.00 C ATOM 639 CG ASP A 41 6.088 10.847 -7.059 1.00 0.00 C ATOM 640 OD1 ASP A 41 5.422 11.481 -6.257 1.00 0.00 O ATOM 641 OD2 ASP A 41 5.987 10.961 -8.270 1.00 0.00 O ATOM 0 H ASP A 41 9.238 8.882 -5.686 1.00 0.00 H new ATOM 0 HA ASP A 41 8.068 11.524 -5.566 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.809 9.562 -7.301 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.607 8.939 -6.187 1.00 0.00 H new ATOM 646 N ALA A 42 6.946 9.169 -3.542 1.00 0.00 N ATOM 647 CA ALA A 42 6.160 8.966 -2.296 1.00 0.00 C ATOM 648 C ALA A 42 6.850 9.702 -1.144 1.00 0.00 C ATOM 649 O ALA A 42 6.212 10.298 -0.302 1.00 0.00 O ATOM 650 CB ALA A 42 6.088 7.468 -1.983 1.00 0.00 C ATOM 0 H ALA A 42 7.387 8.329 -3.917 1.00 0.00 H new ATOM 0 HA ALA A 42 5.151 9.357 -2.425 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.513 7.314 -1.070 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.604 6.947 -2.809 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.096 7.076 -1.847 1.00 0.00 H new ATOM 656 N LEU A 43 8.153 9.671 -1.102 1.00 0.00 N ATOM 657 CA LEU A 43 8.882 10.372 -0.006 1.00 0.00 C ATOM 658 C LEU A 43 8.499 11.854 -0.009 1.00 0.00 C ATOM 659 O LEU A 43 8.374 12.474 1.029 1.00 0.00 O ATOM 660 CB LEU A 43 10.395 10.222 -0.227 1.00 0.00 C ATOM 661 CG LEU A 43 11.174 11.082 0.777 1.00 0.00 C ATOM 662 CD1 LEU A 43 10.735 10.739 2.201 1.00 0.00 C ATOM 663 CD2 LEU A 43 12.670 10.797 0.627 1.00 0.00 C ATOM 0 H LEU A 43 8.746 9.191 -1.779 1.00 0.00 H new ATOM 0 HA LEU A 43 8.614 9.935 0.956 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.682 9.176 -0.118 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.651 10.519 -1.244 1.00 0.00 H new ATOM 0 HG LEU A 43 10.976 12.136 0.583 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.291 11.352 2.911 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.668 10.935 2.310 1.00 0.00 H new ATOM 0 HD13 LEU A 43 10.933 9.686 2.399 1.00 0.00 H new ATOM 0 HD21 LEU A 43 13.229 11.405 1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.861 9.742 0.823 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.987 11.041 -0.387 1.00 0.00 H new ATOM 675 N ASN A 44 8.320 12.431 -1.165 1.00 0.00 N ATOM 676 CA ASN A 44 7.955 13.876 -1.228 1.00 0.00 C ATOM 677 C ASN A 44 6.434 14.038 -1.132 1.00 0.00 C ATOM 678 O ASN A 44 5.938 14.993 -0.569 1.00 0.00 O ATOM 679 CB ASN A 44 8.445 14.468 -2.551 1.00 0.00 C ATOM 680 CG ASN A 44 9.867 15.003 -2.376 1.00 0.00 C ATOM 681 OD1 ASN A 44 10.057 16.133 -1.973 1.00 0.00 O ATOM 682 ND2 ASN A 44 10.880 14.234 -2.664 1.00 0.00 N ATOM 0 H ASN A 44 8.410 11.966 -2.068 1.00 0.00 H new ATOM 0 HA ASN A 44 8.424 14.398 -0.394 1.00 0.00 H new ATOM 0 HB2 ASN A 44 8.425 13.707 -3.331 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.780 15.270 -2.871 1.00 0.00 H new ATOM 0 HD21 ASN A 44 11.832 14.581 -2.551 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.720 13.285 -3.002 1.00 0.00 H new ATOM 689 N LYS A 45 5.692 13.122 -1.687 1.00 0.00 N ATOM 690 CA LYS A 45 4.206 13.235 -1.635 1.00 0.00 C ATOM 691 C LYS A 45 3.669 12.539 -0.383 1.00 0.00 C ATOM 692 O LYS A 45 2.942 13.123 0.391 1.00 0.00 O ATOM 693 CB LYS A 45 3.601 12.584 -2.882 1.00 0.00 C ATOM 694 CG LYS A 45 3.587 13.595 -4.033 1.00 0.00 C ATOM 695 CD LYS A 45 2.421 14.578 -3.864 1.00 0.00 C ATOM 696 CE LYS A 45 2.931 16.009 -4.047 1.00 0.00 C ATOM 697 NZ LYS A 45 3.784 16.081 -5.267 1.00 0.00 N ATOM 0 H LYS A 45 6.049 12.300 -2.174 1.00 0.00 H new ATOM 0 HA LYS A 45 3.930 14.289 -1.601 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.181 11.705 -3.164 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.587 12.243 -2.671 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.530 14.140 -4.059 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.495 13.072 -4.985 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.641 14.362 -4.594 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.974 14.463 -2.876 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.090 16.697 -4.137 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.503 16.317 -3.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.676 17.015 -5.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.780 15.935 -5.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.492 15.343 -5.939 1.00 0.00 H new ATOM 711 N LEU A 46 4.009 11.296 -0.181 1.00 0.00 N ATOM 712 CA LEU A 46 3.498 10.575 1.021 1.00 0.00 C ATOM 713 C LEU A 46 3.748 11.426 2.268 1.00 0.00 C ATOM 714 O LEU A 46 3.033 11.332 3.247 1.00 0.00 O ATOM 715 CB LEU A 46 4.218 9.221 1.156 1.00 0.00 C ATOM 716 CG LEU A 46 3.413 8.257 2.068 1.00 0.00 C ATOM 717 CD1 LEU A 46 3.573 6.799 1.620 1.00 0.00 C ATOM 718 CD2 LEU A 46 3.911 8.364 3.512 1.00 0.00 C ATOM 0 H LEU A 46 4.616 10.750 -0.792 1.00 0.00 H new ATOM 0 HA LEU A 46 2.428 10.399 0.914 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.348 8.773 0.171 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.215 9.374 1.570 1.00 0.00 H new ATOM 0 HG LEU A 46 2.364 8.544 1.998 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.997 6.150 2.280 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.211 6.691 0.598 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.625 6.518 1.664 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.341 7.684 4.145 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.967 8.098 3.553 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.780 9.386 3.867 1.00 0.00 H new ATOM 730 N GLN A 47 4.752 12.258 2.242 1.00 0.00 N ATOM 731 CA GLN A 47 5.037 13.114 3.427 1.00 0.00 C ATOM 732 C GLN A 47 3.929 14.159 3.563 1.00 0.00 C ATOM 733 O GLN A 47 4.009 15.073 4.360 1.00 0.00 O ATOM 734 CB GLN A 47 6.384 13.815 3.237 1.00 0.00 C ATOM 735 CG GLN A 47 6.689 14.681 4.461 1.00 0.00 C ATOM 736 CD GLN A 47 6.444 16.153 4.120 1.00 0.00 C ATOM 737 OE1 GLN A 47 5.603 16.468 3.302 1.00 0.00 O ATOM 738 NE2 GLN A 47 7.149 17.074 4.718 1.00 0.00 N ATOM 0 H GLN A 47 5.386 12.382 1.453 1.00 0.00 H new ATOM 0 HA GLN A 47 5.076 12.500 4.327 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.173 13.076 3.096 1.00 0.00 H new ATOM 0 HB3 GLN A 47 6.361 14.432 2.339 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.059 14.381 5.298 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.723 14.536 4.773 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.855 16.810 5.405 1.00 0.00 H new ATOM 0 HE22 GLN A 47 6.994 18.058 4.499 1.00 0.00 H new ATOM 747 N ALA A 48 2.899 14.028 2.780 1.00 0.00 N ATOM 748 CA ALA A 48 1.779 15.001 2.840 1.00 0.00 C ATOM 749 C ALA A 48 1.386 15.244 4.299 1.00 0.00 C ATOM 750 O ALA A 48 1.593 16.315 4.834 1.00 0.00 O ATOM 751 CB ALA A 48 0.578 14.449 2.071 1.00 0.00 C ATOM 0 H ALA A 48 2.784 13.281 2.095 1.00 0.00 H new ATOM 0 HA ALA A 48 2.095 15.942 2.390 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.243 15.164 2.116 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.857 14.282 1.031 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.262 13.506 2.517 1.00 0.00 H new ATOM 757 N GLY A 49 0.820 14.263 4.950 1.00 0.00 N ATOM 758 CA GLY A 49 0.422 14.466 6.373 1.00 0.00 C ATOM 759 C GLY A 49 0.292 13.116 7.081 1.00 0.00 C ATOM 760 O GLY A 49 -0.341 13.008 8.111 1.00 0.00 O ATOM 0 H GLY A 49 0.618 13.341 4.564 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.163 15.082 6.882 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.525 15.003 6.421 1.00 0.00 H new ATOM 764 N GLY A 50 0.879 12.086 6.536 1.00 0.00 N ATOM 765 CA GLY A 50 0.778 10.746 7.179 1.00 0.00 C ATOM 766 C GLY A 50 -0.365 9.978 6.525 1.00 0.00 C ATOM 767 O GLY A 50 -1.522 10.183 6.833 1.00 0.00 O ATOM 0 H GLY A 50 1.424 12.115 5.674 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.715 10.200 7.065 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.599 10.852 8.249 1.00 0.00 H new ATOM 771 N TYR A 51 -0.052 9.110 5.609 1.00 0.00 N ATOM 772 CA TYR A 51 -1.119 8.345 4.917 1.00 0.00 C ATOM 773 C TYR A 51 -1.597 7.191 5.789 1.00 0.00 C ATOM 774 O TYR A 51 -0.895 6.224 6.002 1.00 0.00 O ATOM 775 CB TYR A 51 -0.572 7.807 3.602 1.00 0.00 C ATOM 776 CG TYR A 51 -0.768 8.856 2.546 1.00 0.00 C ATOM 777 CD1 TYR A 51 0.123 9.931 2.454 1.00 0.00 C ATOM 778 CD2 TYR A 51 -1.847 8.762 1.666 1.00 0.00 C ATOM 779 CE1 TYR A 51 -0.068 10.911 1.477 1.00 0.00 C ATOM 780 CE2 TYR A 51 -2.040 9.742 0.688 1.00 0.00 C ATOM 781 CZ TYR A 51 -1.148 10.818 0.594 1.00 0.00 C ATOM 782 OH TYR A 51 -1.334 11.786 -0.368 1.00 0.00 O ATOM 0 H TYR A 51 0.899 8.897 5.309 1.00 0.00 H new ATOM 0 HA TYR A 51 -1.965 9.004 4.723 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.485 7.562 3.702 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.087 6.888 3.324 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.957 10.003 3.137 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.533 7.932 1.741 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.619 11.741 1.404 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.875 9.670 0.007 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.466 12.159 -0.628 1.00 0.00 H new ATOM 792 N GLY A 52 -2.798 7.285 6.283 1.00 0.00 N ATOM 793 CA GLY A 52 -3.341 6.196 7.132 1.00 0.00 C ATOM 794 C GLY A 52 -3.226 4.872 6.382 1.00 0.00 C ATOM 795 O GLY A 52 -3.364 3.812 6.954 1.00 0.00 O ATOM 0 H GLY A 52 -3.428 8.073 6.134 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.793 6.144 8.073 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.383 6.398 7.381 1.00 0.00 H new ATOM 799 N PHE A 53 -2.985 4.921 5.100 1.00 0.00 N ATOM 800 CA PHE A 53 -2.876 3.655 4.321 1.00 0.00 C ATOM 801 C PHE A 53 -2.028 3.879 3.064 1.00 0.00 C ATOM 802 O PHE A 53 -2.051 4.935 2.461 1.00 0.00 O ATOM 803 CB PHE A 53 -4.278 3.219 3.912 1.00 0.00 C ATOM 804 CG PHE A 53 -4.495 1.766 4.248 1.00 0.00 C ATOM 805 CD1 PHE A 53 -4.825 1.395 5.552 1.00 0.00 C ATOM 806 CD2 PHE A 53 -4.401 0.795 3.249 1.00 0.00 C ATOM 807 CE1 PHE A 53 -5.056 0.056 5.860 1.00 0.00 C ATOM 808 CE2 PHE A 53 -4.637 -0.545 3.550 1.00 0.00 C ATOM 809 CZ PHE A 53 -4.964 -0.920 4.859 1.00 0.00 C ATOM 0 H PHE A 53 -2.860 5.778 4.561 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.401 2.888 4.933 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -5.020 3.832 4.424 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.417 3.376 2.842 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.901 2.147 6.324 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.145 1.083 2.240 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.306 -0.230 6.871 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.568 -1.294 2.775 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.145 -1.958 5.096 1.00 0.00 H new ATOM 819 N VAL A 54 -1.281 2.886 2.658 1.00 0.00 N ATOM 820 CA VAL A 54 -0.437 3.045 1.435 1.00 0.00 C ATOM 821 C VAL A 54 -0.428 1.752 0.633 1.00 0.00 C ATOM 822 O VAL A 54 0.013 0.720 1.104 1.00 0.00 O ATOM 823 CB VAL A 54 0.997 3.360 1.835 1.00 0.00 C ATOM 824 CG1 VAL A 54 1.874 3.483 0.583 1.00 0.00 C ATOM 825 CG2 VAL A 54 1.041 4.665 2.631 1.00 0.00 C ATOM 0 H VAL A 54 -1.218 1.977 3.116 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.852 3.855 0.836 1.00 0.00 H new ATOM 0 HB VAL A 54 1.378 2.550 2.458 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.899 3.709 0.877 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.854 2.544 0.031 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.494 4.285 -0.050 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.071 4.884 2.914 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.652 5.478 2.018 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.432 4.564 3.529 1.00 0.00 H new ATOM 835 N ILE A 55 -0.874 1.815 -0.585 1.00 0.00 N ATOM 836 CA ILE A 55 -0.860 0.614 -1.456 1.00 0.00 C ATOM 837 C ILE A 55 0.316 0.783 -2.424 1.00 0.00 C ATOM 838 O ILE A 55 0.152 1.179 -3.565 1.00 0.00 O ATOM 839 CB ILE A 55 -2.175 0.530 -2.238 1.00 0.00 C ATOM 840 CG1 ILE A 55 -3.360 0.614 -1.267 1.00 0.00 C ATOM 841 CG2 ILE A 55 -2.236 -0.798 -2.992 1.00 0.00 C ATOM 842 CD1 ILE A 55 -4.660 0.781 -2.058 1.00 0.00 C ATOM 0 H ILE A 55 -1.252 2.657 -1.019 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.754 -0.299 -0.870 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.225 1.357 -2.946 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.407 -0.287 -0.656 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.226 1.454 -0.586 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.171 -0.858 -3.548 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.397 -0.862 -3.685 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.183 -1.623 -2.281 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.501 0.841 -1.367 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.611 1.695 -2.650 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.795 -0.074 -2.721 1.00 0.00 H new ATOM 854 N SER A 56 1.510 0.533 -1.967 1.00 0.00 N ATOM 855 CA SER A 56 2.694 0.724 -2.848 1.00 0.00 C ATOM 856 C SER A 56 2.938 -0.525 -3.692 1.00 0.00 C ATOM 857 O SER A 56 2.642 -1.632 -3.289 1.00 0.00 O ATOM 858 CB SER A 56 3.925 1.013 -1.988 1.00 0.00 C ATOM 859 OG SER A 56 3.788 0.350 -0.737 1.00 0.00 O ATOM 0 H SER A 56 1.717 0.205 -1.024 1.00 0.00 H new ATOM 0 HA SER A 56 2.506 1.565 -3.516 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.827 0.672 -2.497 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.032 2.087 -1.834 1.00 0.00 H new ATOM 0 HG SER A 56 4.384 0.766 -0.079 1.00 0.00 H new ATOM 865 N ASP A 57 3.483 -0.348 -4.864 1.00 0.00 N ATOM 866 CA ASP A 57 3.757 -1.511 -5.749 1.00 0.00 C ATOM 867 C ASP A 57 5.201 -1.973 -5.544 1.00 0.00 C ATOM 868 O ASP A 57 5.942 -1.392 -4.775 1.00 0.00 O ATOM 869 CB ASP A 57 3.554 -1.098 -7.209 1.00 0.00 C ATOM 870 CG ASP A 57 3.854 -2.285 -8.125 1.00 0.00 C ATOM 871 OD1 ASP A 57 2.997 -3.145 -8.248 1.00 0.00 O ATOM 872 OD2 ASP A 57 4.935 -2.315 -8.689 1.00 0.00 O ATOM 0 H ASP A 57 3.751 0.558 -5.247 1.00 0.00 H new ATOM 0 HA ASP A 57 3.076 -2.326 -5.505 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.530 -0.758 -7.362 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.208 -0.262 -7.455 1.00 0.00 H new ATOM 877 N TRP A 58 5.595 -3.014 -6.224 1.00 0.00 N ATOM 878 CA TRP A 58 6.986 -3.538 -6.084 1.00 0.00 C ATOM 879 C TRP A 58 7.722 -3.362 -7.413 1.00 0.00 C ATOM 880 O TRP A 58 8.377 -4.264 -7.895 1.00 0.00 O ATOM 881 CB TRP A 58 6.913 -5.023 -5.729 1.00 0.00 C ATOM 882 CG TRP A 58 8.247 -5.511 -5.262 1.00 0.00 C ATOM 883 CD1 TRP A 58 9.158 -6.146 -6.036 1.00 0.00 C ATOM 884 CD2 TRP A 58 8.829 -5.431 -3.928 1.00 0.00 C ATOM 885 NE1 TRP A 58 10.262 -6.459 -5.262 1.00 0.00 N ATOM 886 CE2 TRP A 58 10.107 -6.040 -3.956 1.00 0.00 C ATOM 887 CE3 TRP A 58 8.377 -4.893 -2.710 1.00 0.00 C ATOM 888 CZ2 TRP A 58 10.906 -6.114 -2.813 1.00 0.00 C ATOM 889 CZ3 TRP A 58 9.180 -4.965 -1.560 1.00 0.00 C ATOM 890 CH2 TRP A 58 10.440 -5.575 -1.613 1.00 0.00 C ATOM 0 H TRP A 58 5.007 -3.531 -6.878 1.00 0.00 H new ATOM 0 HA TRP A 58 7.519 -2.997 -5.302 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.167 -5.181 -4.950 1.00 0.00 H new ATOM 0 HB3 TRP A 58 6.592 -5.597 -6.599 1.00 0.00 H new ATOM 0 HD1 TRP A 58 9.042 -6.372 -7.086 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.089 -6.941 -5.614 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.407 -4.422 -2.659 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 11.877 -6.585 -2.857 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 8.824 -4.548 -0.630 1.00 0.00 H new ATOM 0 HH2 TRP A 58 11.051 -5.628 -0.724 1.00 0.00 H new ATOM 901 N ASN A 59 7.613 -2.208 -8.013 1.00 0.00 N ATOM 902 CA ASN A 59 8.300 -1.981 -9.313 1.00 0.00 C ATOM 903 C ASN A 59 9.812 -2.035 -9.106 1.00 0.00 C ATOM 904 O ASN A 59 10.286 -2.670 -8.188 1.00 0.00 O ATOM 905 CB ASN A 59 7.889 -0.616 -9.875 1.00 0.00 C ATOM 906 CG ASN A 59 8.025 0.448 -8.784 1.00 0.00 C ATOM 907 OD1 ASN A 59 8.622 0.144 -7.664 1.00 0.00 O flip ATOM 908 ND2 ASN A 59 7.586 1.568 -8.954 1.00 0.00 N flip ATOM 0 H ASN A 59 7.079 -1.415 -7.659 1.00 0.00 H new ATOM 0 HA ASN A 59 8.013 -2.757 -10.022 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.516 -0.359 -10.729 1.00 0.00 H new ATOM 0 HB3 ASN A 59 6.861 -0.654 -10.235 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.119 1.805 -9.829 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.684 2.271 -8.221 1.00 0.00 H new ATOM 915 N MET A 60 10.584 -1.395 -9.945 1.00 0.00 N ATOM 916 CA MET A 60 12.057 -1.452 -9.748 1.00 0.00 C ATOM 917 C MET A 60 12.784 -0.343 -10.523 1.00 0.00 C ATOM 918 O MET A 60 13.639 -0.634 -11.336 1.00 0.00 O ATOM 919 CB MET A 60 12.572 -2.813 -10.222 1.00 0.00 C ATOM 920 CG MET A 60 12.018 -3.112 -11.618 1.00 0.00 C ATOM 921 SD MET A 60 10.336 -3.765 -11.473 1.00 0.00 S ATOM 922 CE MET A 60 10.681 -5.424 -12.107 1.00 0.00 C ATOM 0 H MET A 60 10.264 -0.846 -10.743 1.00 0.00 H new ATOM 0 HA MET A 60 12.259 -1.307 -8.687 1.00 0.00 H new ATOM 0 HB2 MET A 60 13.662 -2.814 -10.244 1.00 0.00 H new ATOM 0 HB3 MET A 60 12.267 -3.592 -9.524 1.00 0.00 H new ATOM 0 HG2 MET A 60 12.016 -2.205 -12.222 1.00 0.00 H new ATOM 0 HG3 MET A 60 12.657 -3.833 -12.128 1.00 0.00 H new ATOM 0 HE1 MET A 60 9.763 -6.012 -12.106 1.00 0.00 H new ATOM 0 HE2 MET A 60 11.065 -5.352 -13.125 1.00 0.00 H new ATOM 0 HE3 MET A 60 11.423 -5.909 -11.473 1.00 0.00 H new ATOM 932 N PRO A 61 12.470 0.896 -10.224 1.00 0.00 N ATOM 933 CA PRO A 61 13.149 2.034 -10.870 1.00 0.00 C ATOM 934 C PRO A 61 14.629 1.965 -10.490 1.00 0.00 C ATOM 935 O PRO A 61 15.514 2.197 -11.290 1.00 0.00 O ATOM 936 CB PRO A 61 12.497 3.281 -10.260 1.00 0.00 C ATOM 937 CG PRO A 61 11.433 2.803 -9.237 1.00 0.00 C ATOM 938 CD PRO A 61 11.433 1.265 -9.245 1.00 0.00 C ATOM 0 HA PRO A 61 13.067 2.038 -11.957 1.00 0.00 H new ATOM 0 HB2 PRO A 61 13.246 3.904 -9.771 1.00 0.00 H new ATOM 0 HB3 PRO A 61 12.035 3.890 -11.037 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.664 3.180 -8.241 1.00 0.00 H new ATOM 0 HG3 PRO A 61 10.448 3.187 -9.503 1.00 0.00 H new ATOM 0 HD2 PRO A 61 11.660 0.864 -8.257 1.00 0.00 H new ATOM 0 HD3 PRO A 61 10.458 0.871 -9.533 1.00 0.00 H new ATOM 946 N ASN A 62 14.880 1.615 -9.259 1.00 0.00 N ATOM 947 CA ASN A 62 16.271 1.478 -8.752 1.00 0.00 C ATOM 948 C ASN A 62 16.260 0.362 -7.707 1.00 0.00 C ATOM 949 O ASN A 62 17.261 -0.266 -7.424 1.00 0.00 O ATOM 950 CB ASN A 62 16.723 2.789 -8.106 1.00 0.00 C ATOM 951 CG ASN A 62 15.627 3.843 -8.271 1.00 0.00 C ATOM 952 OD1 ASN A 62 15.590 4.563 -9.359 1.00 0.00 O flip ATOM 953 ND2 ASN A 62 14.794 4.011 -7.403 1.00 0.00 N flip ATOM 0 H ASN A 62 14.158 1.413 -8.567 1.00 0.00 H new ATOM 0 HA ASN A 62 16.959 1.245 -9.565 1.00 0.00 H new ATOM 0 HB2 ASN A 62 16.935 2.632 -7.048 1.00 0.00 H new ATOM 0 HB3 ASN A 62 17.648 3.135 -8.568 1.00 0.00 H new ATOM 0 HD21 ASN A 62 14.823 3.448 -6.553 1.00 0.00 H new ATOM 0 HD22 ASN A 62 14.066 4.715 -7.524 1.00 0.00 H new ATOM 960 N MET A 63 15.105 0.113 -7.152 1.00 0.00 N ATOM 961 CA MET A 63 14.948 -0.962 -6.134 1.00 0.00 C ATOM 962 C MET A 63 13.512 -1.487 -6.232 1.00 0.00 C ATOM 963 O MET A 63 13.252 -2.461 -6.904 1.00 0.00 O ATOM 964 CB MET A 63 15.198 -0.392 -4.734 1.00 0.00 C ATOM 965 CG MET A 63 16.611 -0.763 -4.276 1.00 0.00 C ATOM 966 SD MET A 63 16.901 -0.101 -2.617 1.00 0.00 S ATOM 967 CE MET A 63 17.539 -1.622 -1.874 1.00 0.00 C ATOM 0 H MET A 63 14.247 0.621 -7.367 1.00 0.00 H new ATOM 0 HA MET A 63 15.663 -1.765 -6.312 1.00 0.00 H new ATOM 0 HB2 MET A 63 15.081 0.692 -4.745 1.00 0.00 H new ATOM 0 HB3 MET A 63 14.462 -0.785 -4.033 1.00 0.00 H new ATOM 0 HG2 MET A 63 16.731 -1.846 -4.273 1.00 0.00 H new ATOM 0 HG3 MET A 63 17.347 -0.363 -4.973 1.00 0.00 H new ATOM 0 HE1 MET A 63 17.787 -1.440 -0.828 1.00 0.00 H new ATOM 0 HE2 MET A 63 16.781 -2.403 -1.936 1.00 0.00 H new ATOM 0 HE3 MET A 63 18.433 -1.941 -2.409 1.00 0.00 H new ATOM 977 N ASP A 64 12.584 -0.813 -5.593 1.00 0.00 N ATOM 978 CA ASP A 64 11.138 -1.212 -5.653 1.00 0.00 C ATOM 979 C ASP A 64 10.362 -0.393 -4.616 1.00 0.00 C ATOM 980 O ASP A 64 10.148 0.791 -4.788 1.00 0.00 O ATOM 981 CB ASP A 64 10.950 -2.708 -5.358 1.00 0.00 C ATOM 982 CG ASP A 64 11.735 -3.089 -4.100 1.00 0.00 C ATOM 983 OD1 ASP A 64 12.952 -3.004 -4.137 1.00 0.00 O ATOM 984 OD2 ASP A 64 11.108 -3.461 -3.123 1.00 0.00 O ATOM 0 H ASP A 64 12.770 0.011 -5.022 1.00 0.00 H new ATOM 0 HA ASP A 64 10.767 -1.020 -6.660 1.00 0.00 H new ATOM 0 HB2 ASP A 64 9.892 -2.931 -5.220 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.293 -3.301 -6.206 1.00 0.00 H new ATOM 989 N GLY A 65 9.945 -1.012 -3.540 1.00 0.00 N ATOM 990 CA GLY A 65 9.189 -0.269 -2.486 1.00 0.00 C ATOM 991 C GLY A 65 9.683 -0.700 -1.101 1.00 0.00 C ATOM 992 O GLY A 65 9.028 -0.482 -0.099 1.00 0.00 O ATOM 0 H GLY A 65 10.096 -2.002 -3.346 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.326 0.805 -2.614 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.122 -0.468 -2.581 1.00 0.00 H new ATOM 996 N LEU A 66 10.842 -1.297 -1.032 1.00 0.00 N ATOM 997 CA LEU A 66 11.371 -1.716 0.294 1.00 0.00 C ATOM 998 C LEU A 66 11.972 -0.490 0.975 1.00 0.00 C ATOM 999 O LEU A 66 11.608 -0.140 2.080 1.00 0.00 O ATOM 1000 CB LEU A 66 12.452 -2.788 0.115 1.00 0.00 C ATOM 1001 CG LEU A 66 12.793 -3.423 1.471 1.00 0.00 C ATOM 1002 CD1 LEU A 66 11.577 -4.168 2.032 1.00 0.00 C ATOM 1003 CD2 LEU A 66 13.945 -4.413 1.292 1.00 0.00 C ATOM 0 H LEU A 66 11.440 -1.511 -1.830 1.00 0.00 H new ATOM 0 HA LEU A 66 10.567 -2.133 0.901 1.00 0.00 H new ATOM 0 HB2 LEU A 66 12.104 -3.555 -0.577 1.00 0.00 H new ATOM 0 HB3 LEU A 66 13.346 -2.345 -0.323 1.00 0.00 H new ATOM 0 HG LEU A 66 13.081 -2.634 2.166 1.00 0.00 H new ATOM 0 HD11 LEU A 66 11.834 -4.613 2.993 1.00 0.00 H new ATOM 0 HD12 LEU A 66 10.751 -3.469 2.165 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.279 -4.953 1.337 1.00 0.00 H new ATOM 0 HD21 LEU A 66 14.189 -4.865 2.253 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.649 -5.192 0.589 1.00 0.00 H new ATOM 0 HD23 LEU A 66 14.819 -3.888 0.906 1.00 0.00 H new ATOM 1015 N GLU A 67 12.875 0.182 0.313 1.00 0.00 N ATOM 1016 CA GLU A 67 13.472 1.400 0.917 1.00 0.00 C ATOM 1017 C GLU A 67 12.331 2.293 1.399 1.00 0.00 C ATOM 1018 O GLU A 67 12.499 3.123 2.268 1.00 0.00 O ATOM 1019 CB GLU A 67 14.304 2.141 -0.132 1.00 0.00 C ATOM 1020 CG GLU A 67 15.178 3.189 0.558 1.00 0.00 C ATOM 1021 CD GLU A 67 16.461 2.529 1.068 1.00 0.00 C ATOM 1022 OE1 GLU A 67 17.346 2.297 0.262 1.00 0.00 O ATOM 1023 OE2 GLU A 67 16.536 2.267 2.258 1.00 0.00 O ATOM 0 H GLU A 67 13.222 -0.061 -0.615 1.00 0.00 H new ATOM 0 HA GLU A 67 14.122 1.133 1.750 1.00 0.00 H new ATOM 0 HB2 GLU A 67 14.928 1.436 -0.681 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.649 2.620 -0.859 1.00 0.00 H new ATOM 0 HG2 GLU A 67 15.421 3.991 -0.139 1.00 0.00 H new ATOM 0 HG3 GLU A 67 14.635 3.642 1.388 1.00 0.00 H new ATOM 1030 N LEU A 68 11.162 2.104 0.843 1.00 0.00 N ATOM 1031 CA LEU A 68 9.984 2.912 1.262 1.00 0.00 C ATOM 1032 C LEU A 68 9.546 2.435 2.648 1.00 0.00 C ATOM 1033 O LEU A 68 9.547 3.186 3.603 1.00 0.00 O ATOM 1034 CB LEU A 68 8.849 2.700 0.255 1.00 0.00 C ATOM 1035 CG LEU A 68 8.734 3.903 -0.674 1.00 0.00 C ATOM 1036 CD1 LEU A 68 7.970 3.501 -1.942 1.00 0.00 C ATOM 1037 CD2 LEU A 68 7.981 5.026 0.040 1.00 0.00 C ATOM 0 H LEU A 68 10.974 1.419 0.111 1.00 0.00 H new ATOM 0 HA LEU A 68 10.236 3.972 1.297 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.035 1.798 -0.328 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.908 2.549 0.784 1.00 0.00 H new ATOM 0 HG LEU A 68 9.731 4.248 -0.946 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.888 4.362 -2.606 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.506 2.700 -2.451 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.972 3.155 -1.671 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.898 5.887 -0.623 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.984 4.680 0.312 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.524 5.313 0.941 1.00 0.00 H new ATOM 1049 N LEU A 69 9.196 1.180 2.767 1.00 0.00 N ATOM 1050 CA LEU A 69 8.786 0.638 4.099 1.00 0.00 C ATOM 1051 C LEU A 69 9.810 1.093 5.136 1.00 0.00 C ATOM 1052 O LEU A 69 9.492 1.791 6.078 1.00 0.00 O ATOM 1053 CB LEU A 69 8.800 -0.885 4.035 1.00 0.00 C ATOM 1054 CG LEU A 69 7.511 -1.476 4.612 1.00 0.00 C ATOM 1055 CD1 LEU A 69 7.541 -3.000 4.452 1.00 0.00 C ATOM 1056 CD2 LEU A 69 7.377 -1.142 6.107 1.00 0.00 C ATOM 0 H LEU A 69 9.176 0.507 2.001 1.00 0.00 H new ATOM 0 HA LEU A 69 7.790 0.992 4.364 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.919 -1.207 3.000 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.658 -1.267 4.589 1.00 0.00 H new ATOM 0 HG LEU A 69 6.664 -1.048 4.075 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.625 -3.427 4.861 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.619 -3.253 3.395 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.400 -3.405 4.986 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.454 -1.572 6.495 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.226 -1.556 6.650 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.356 -0.060 6.238 1.00 0.00 H new ATOM 1068 N LYS A 70 11.043 0.693 4.952 1.00 0.00 N ATOM 1069 CA LYS A 70 12.126 1.089 5.901 1.00 0.00 C ATOM 1070 C LYS A 70 11.945 2.555 6.301 1.00 0.00 C ATOM 1071 O LYS A 70 11.968 2.892 7.467 1.00 0.00 O ATOM 1072 CB LYS A 70 13.484 0.909 5.217 1.00 0.00 C ATOM 1073 CG LYS A 70 14.607 1.282 6.188 1.00 0.00 C ATOM 1074 CD LYS A 70 15.960 0.973 5.544 1.00 0.00 C ATOM 1075 CE LYS A 70 17.076 1.160 6.575 1.00 0.00 C ATOM 1076 NZ LYS A 70 16.615 2.096 7.639 1.00 0.00 N ATOM 0 H LYS A 70 11.348 0.103 4.177 1.00 0.00 H new ATOM 0 HA LYS A 70 12.079 0.464 6.793 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.602 -0.124 4.889 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.538 1.534 4.326 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.546 2.340 6.442 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.499 0.724 7.118 1.00 0.00 H new ATOM 0 HD2 LYS A 70 15.969 -0.049 5.166 1.00 0.00 H new ATOM 0 HD3 LYS A 70 16.126 1.630 4.690 1.00 0.00 H new ATOM 0 HE2 LYS A 70 17.346 0.199 7.013 1.00 0.00 H new ATOM 0 HE3 LYS A 70 17.970 1.553 6.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 17.426 2.384 8.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 16.188 2.937 7.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 15.909 1.621 8.237 1.00 0.00 H new ATOM 1090 N THR A 71 11.748 3.427 5.349 1.00 0.00 N ATOM 1091 CA THR A 71 11.547 4.861 5.696 1.00 0.00 C ATOM 1092 C THR A 71 10.298 4.970 6.566 1.00 0.00 C ATOM 1093 O THR A 71 10.307 5.586 7.614 1.00 0.00 O ATOM 1094 CB THR A 71 11.356 5.687 4.422 1.00 0.00 C ATOM 1095 OG1 THR A 71 11.239 4.819 3.307 1.00 0.00 O ATOM 1096 CG2 THR A 71 12.557 6.615 4.230 1.00 0.00 C ATOM 0 H THR A 71 11.718 3.209 4.353 1.00 0.00 H new ATOM 0 HA THR A 71 12.418 5.240 6.230 1.00 0.00 H new ATOM 0 HB THR A 71 10.449 6.285 4.509 1.00 0.00 H new ATOM 0 HG1 THR A 71 12.111 4.417 3.112 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.421 7.203 3.323 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.641 7.284 5.087 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.466 6.020 4.144 1.00 0.00 H new ATOM 1104 N ILE A 72 9.222 4.357 6.150 1.00 0.00 N ATOM 1105 CA ILE A 72 7.982 4.408 6.966 1.00 0.00 C ATOM 1106 C ILE A 72 8.299 3.841 8.352 1.00 0.00 C ATOM 1107 O ILE A 72 7.643 4.142 9.328 1.00 0.00 O ATOM 1108 CB ILE A 72 6.890 3.559 6.301 1.00 0.00 C ATOM 1109 CG1 ILE A 72 6.411 4.249 5.014 1.00 0.00 C ATOM 1110 CG2 ILE A 72 5.710 3.410 7.264 1.00 0.00 C ATOM 1111 CD1 ILE A 72 6.186 3.213 3.899 1.00 0.00 C ATOM 0 H ILE A 72 9.151 3.825 5.282 1.00 0.00 H new ATOM 0 HA ILE A 72 7.628 5.435 7.049 1.00 0.00 H new ATOM 0 HB ILE A 72 7.293 2.576 6.056 1.00 0.00 H new ATOM 0 HG12 ILE A 72 5.485 4.790 5.208 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.149 4.984 4.692 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.932 2.807 6.795 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.046 2.921 8.178 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.310 4.395 7.505 1.00 0.00 H new ATOM 0 HD11 ILE A 72 5.847 3.719 2.995 1.00 0.00 H new ATOM 0 HD12 ILE A 72 7.120 2.691 3.694 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.431 2.494 4.217 1.00 0.00 H new ATOM 1123 N ARG A 73 9.312 3.020 8.439 1.00 0.00 N ATOM 1124 CA ARG A 73 9.689 2.426 9.752 1.00 0.00 C ATOM 1125 C ARG A 73 10.695 3.338 10.462 1.00 0.00 C ATOM 1126 O ARG A 73 10.771 3.367 11.674 1.00 0.00 O ATOM 1127 CB ARG A 73 10.324 1.053 9.519 1.00 0.00 C ATOM 1128 CG ARG A 73 10.609 0.380 10.864 1.00 0.00 C ATOM 1129 CD ARG A 73 12.096 0.039 10.959 1.00 0.00 C ATOM 1130 NE ARG A 73 12.501 -0.749 9.762 1.00 0.00 N ATOM 1131 CZ ARG A 73 13.754 -0.788 9.397 1.00 0.00 C ATOM 1132 NH1 ARG A 73 14.660 -0.178 10.111 1.00 0.00 N ATOM 1133 NH2 ARG A 73 14.101 -1.439 8.320 1.00 0.00 N ATOM 0 H ARG A 73 9.896 2.735 7.653 1.00 0.00 H new ATOM 0 HA ARG A 73 8.799 2.321 10.372 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.657 0.430 8.924 1.00 0.00 H new ATOM 0 HB3 ARG A 73 11.249 1.161 8.953 1.00 0.00 H new ATOM 0 HG2 ARG A 73 10.324 1.042 11.682 1.00 0.00 H new ATOM 0 HG3 ARG A 73 10.010 -0.525 10.964 1.00 0.00 H new ATOM 0 HD2 ARG A 73 12.686 0.953 11.023 1.00 0.00 H new ATOM 0 HD3 ARG A 73 12.292 -0.531 11.867 1.00 0.00 H new ATOM 0 HE ARG A 73 11.798 -1.259 9.226 1.00 0.00 H new ATOM 0 HH11 ARG A 73 14.389 0.329 10.954 1.00 0.00 H new ATOM 0 HH12 ARG A 73 15.639 -0.208 9.826 1.00 0.00 H new ATOM 0 HH21 ARG A 73 13.393 -1.918 7.763 1.00 0.00 H new ATOM 0 HH22 ARG A 73 15.080 -1.469 8.035 1.00 0.00 H new ATOM 1147 N ALA A 74 11.468 4.082 9.718 1.00 0.00 N ATOM 1148 CA ALA A 74 12.470 4.985 10.354 1.00 0.00 C ATOM 1149 C ALA A 74 11.772 5.884 11.376 1.00 0.00 C ATOM 1150 O ALA A 74 12.336 6.241 12.391 1.00 0.00 O ATOM 1151 CB ALA A 74 13.135 5.851 9.281 1.00 0.00 C ATOM 0 H ALA A 74 11.449 4.104 8.698 1.00 0.00 H new ATOM 0 HA ALA A 74 13.229 4.386 10.857 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.867 6.510 9.748 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.635 5.210 8.555 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.377 6.450 8.776 1.00 0.00 H new ATOM 1157 N ASP A 75 10.549 6.252 11.118 1.00 0.00 N ATOM 1158 CA ASP A 75 9.818 7.125 12.077 1.00 0.00 C ATOM 1159 C ASP A 75 9.585 6.357 13.380 1.00 0.00 C ATOM 1160 O ASP A 75 8.712 5.518 13.468 1.00 0.00 O ATOM 1161 CB ASP A 75 8.472 7.533 11.476 1.00 0.00 C ATOM 1162 CG ASP A 75 8.644 8.814 10.659 1.00 0.00 C ATOM 1163 OD1 ASP A 75 9.761 9.089 10.253 1.00 0.00 O ATOM 1164 OD2 ASP A 75 7.656 9.500 10.452 1.00 0.00 O ATOM 0 H ASP A 75 10.024 5.986 10.285 1.00 0.00 H new ATOM 0 HA ASP A 75 10.407 8.019 12.279 1.00 0.00 H new ATOM 0 HB2 ASP A 75 8.088 6.734 10.842 1.00 0.00 H new ATOM 0 HB3 ASP A 75 7.741 7.690 12.269 1.00 0.00 H new ATOM 1169 N GLY A 76 10.362 6.633 14.391 1.00 0.00 N ATOM 1170 CA GLY A 76 10.184 5.913 15.684 1.00 0.00 C ATOM 1171 C GLY A 76 8.972 6.481 16.426 1.00 0.00 C ATOM 1172 O GLY A 76 9.049 6.817 17.592 1.00 0.00 O ATOM 0 H GLY A 76 11.111 7.325 14.378 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.045 4.847 15.502 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.080 6.018 16.296 1.00 0.00 H new ATOM 1176 N ALA A 77 7.854 6.591 15.762 1.00 0.00 N ATOM 1177 CA ALA A 77 6.640 7.137 16.430 1.00 0.00 C ATOM 1178 C ALA A 77 5.390 6.654 15.694 1.00 0.00 C ATOM 1179 O ALA A 77 4.655 5.818 16.182 1.00 0.00 O ATOM 1180 CB ALA A 77 6.689 8.667 16.404 1.00 0.00 C ATOM 0 H ALA A 77 7.729 6.326 14.785 1.00 0.00 H new ATOM 0 HA ALA A 77 6.608 6.791 17.463 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.801 9.068 16.893 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.579 9.012 16.930 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.722 9.012 15.371 1.00 0.00 H new ATOM 1186 N MET A 78 5.145 7.173 14.519 1.00 0.00 N ATOM 1187 CA MET A 78 3.943 6.749 13.743 1.00 0.00 C ATOM 1188 C MET A 78 4.358 5.719 12.692 1.00 0.00 C ATOM 1189 O MET A 78 3.717 5.564 11.671 1.00 0.00 O ATOM 1190 CB MET A 78 3.332 7.966 13.047 1.00 0.00 C ATOM 1191 CG MET A 78 1.813 7.946 13.221 1.00 0.00 C ATOM 1192 SD MET A 78 1.081 9.304 12.278 1.00 0.00 S ATOM 1193 CE MET A 78 -0.524 9.320 13.114 1.00 0.00 C ATOM 0 H MET A 78 5.728 7.875 14.062 1.00 0.00 H new ATOM 0 HA MET A 78 3.209 6.309 14.418 1.00 0.00 H new ATOM 0 HB2 MET A 78 3.744 8.883 13.467 1.00 0.00 H new ATOM 0 HB3 MET A 78 3.587 7.958 11.987 1.00 0.00 H new ATOM 0 HG2 MET A 78 1.410 6.993 12.879 1.00 0.00 H new ATOM 0 HG3 MET A 78 1.556 8.041 14.276 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.151 10.100 12.682 1.00 0.00 H new ATOM 0 HE2 MET A 78 -1.010 8.352 12.988 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.379 9.517 14.176 1.00 0.00 H new ATOM 1203 N SER A 79 5.429 5.016 12.933 1.00 0.00 N ATOM 1204 CA SER A 79 5.893 3.997 11.950 1.00 0.00 C ATOM 1205 C SER A 79 4.871 2.863 11.855 1.00 0.00 C ATOM 1206 O SER A 79 5.104 1.859 11.211 1.00 0.00 O ATOM 1207 CB SER A 79 7.237 3.430 12.405 1.00 0.00 C ATOM 1208 OG SER A 79 7.278 2.038 12.125 1.00 0.00 O ATOM 0 H SER A 79 6.005 5.103 13.770 1.00 0.00 H new ATOM 0 HA SER A 79 6.002 4.465 10.972 1.00 0.00 H new ATOM 0 HB2 SER A 79 8.052 3.940 11.892 1.00 0.00 H new ATOM 0 HB3 SER A 79 7.375 3.602 13.472 1.00 0.00 H new ATOM 0 HG SER A 79 6.804 1.859 11.286 1.00 0.00 H new ATOM 1214 N ALA A 80 3.742 3.010 12.494 1.00 0.00 N ATOM 1215 CA ALA A 80 2.711 1.937 12.443 1.00 0.00 C ATOM 1216 C ALA A 80 1.696 2.245 11.341 1.00 0.00 C ATOM 1217 O ALA A 80 0.589 1.744 11.351 1.00 0.00 O ATOM 1218 CB ALA A 80 1.990 1.860 13.791 1.00 0.00 C ATOM 0 H ALA A 80 3.490 3.828 13.049 1.00 0.00 H new ATOM 0 HA ALA A 80 3.195 0.984 12.230 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.235 1.075 13.755 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.711 1.635 14.577 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.510 2.816 14.002 1.00 0.00 H new ATOM 1224 N LEU A 81 2.057 3.063 10.388 1.00 0.00 N ATOM 1225 CA LEU A 81 1.097 3.388 9.296 1.00 0.00 C ATOM 1226 C LEU A 81 0.856 2.112 8.452 1.00 0.00 C ATOM 1227 O LEU A 81 1.799 1.593 7.887 1.00 0.00 O ATOM 1228 CB LEU A 81 1.692 4.481 8.397 1.00 0.00 C ATOM 1229 CG LEU A 81 1.212 5.869 8.854 1.00 0.00 C ATOM 1230 CD1 LEU A 81 1.876 6.945 7.996 1.00 0.00 C ATOM 1231 CD2 LEU A 81 -0.307 5.984 8.695 1.00 0.00 C ATOM 0 H LEU A 81 2.968 3.516 10.319 1.00 0.00 H new ATOM 0 HA LEU A 81 0.158 3.742 9.722 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.781 4.436 8.431 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.398 4.310 7.362 1.00 0.00 H new ATOM 0 HG LEU A 81 1.479 6.003 9.902 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.536 7.929 8.319 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.959 6.881 8.105 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.607 6.794 6.951 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.633 6.971 9.022 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.575 5.842 7.648 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.795 5.221 9.302 1.00 0.00 H new ATOM 1243 N PRO A 82 -0.373 1.613 8.380 1.00 0.00 N ATOM 1244 CA PRO A 82 -0.651 0.390 7.599 1.00 0.00 C ATOM 1245 C PRO A 82 -0.270 0.536 6.119 1.00 0.00 C ATOM 1246 O PRO A 82 -1.026 1.043 5.309 1.00 0.00 O ATOM 1247 CB PRO A 82 -2.159 0.148 7.749 1.00 0.00 C ATOM 1248 CG PRO A 82 -2.726 1.258 8.663 1.00 0.00 C ATOM 1249 CD PRO A 82 -1.568 2.190 9.043 1.00 0.00 C ATOM 0 HA PRO A 82 -0.055 -0.445 7.967 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.648 0.168 6.775 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -2.347 -0.835 8.180 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.510 1.813 8.148 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.176 0.825 9.556 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.754 3.209 8.703 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.436 2.234 10.124 1.00 0.00 H new ATOM 1257 N VAL A 83 0.882 0.039 5.756 1.00 0.00 N ATOM 1258 CA VAL A 83 1.311 0.077 4.328 1.00 0.00 C ATOM 1259 C VAL A 83 1.182 -1.324 3.791 1.00 0.00 C ATOM 1260 O VAL A 83 1.987 -2.171 4.119 1.00 0.00 O ATOM 1261 CB VAL A 83 2.787 0.440 4.198 1.00 0.00 C ATOM 1262 CG1 VAL A 83 3.295 -0.015 2.817 1.00 0.00 C ATOM 1263 CG2 VAL A 83 2.987 1.937 4.365 1.00 0.00 C ATOM 0 H VAL A 83 1.550 -0.395 6.393 1.00 0.00 H new ATOM 0 HA VAL A 83 0.703 0.812 3.800 1.00 0.00 H new ATOM 0 HB VAL A 83 3.352 -0.065 4.982 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.350 0.240 2.715 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.172 -1.094 2.721 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.723 0.486 2.036 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.046 2.176 4.269 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.424 2.467 3.597 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.634 2.244 5.350 1.00 0.00 H new ATOM 1273 N LEU A 84 0.216 -1.604 2.972 1.00 0.00 N ATOM 1274 CA LEU A 84 0.143 -2.987 2.466 1.00 0.00 C ATOM 1275 C LEU A 84 0.960 -3.047 1.191 1.00 0.00 C ATOM 1276 O LEU A 84 0.575 -2.522 0.165 1.00 0.00 O ATOM 1277 CB LEU A 84 -1.321 -3.396 2.225 1.00 0.00 C ATOM 1278 CG LEU A 84 -1.471 -4.881 1.784 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -0.329 -5.779 2.289 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -2.777 -5.432 2.354 1.00 0.00 C ATOM 0 H LEU A 84 -0.502 -0.959 2.642 1.00 0.00 H new ATOM 0 HA LEU A 84 0.546 -3.691 3.194 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.893 -3.234 3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.752 -2.750 1.460 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.453 -4.892 0.694 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.492 -6.801 1.948 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.621 -5.414 1.899 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.305 -5.759 3.379 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.895 -6.473 2.053 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.754 -5.370 3.442 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.615 -4.847 1.975 1.00 0.00 H new ATOM 1292 N MET A 85 2.105 -3.669 1.250 1.00 0.00 N ATOM 1293 CA MET A 85 2.947 -3.732 0.037 1.00 0.00 C ATOM 1294 C MET A 85 2.193 -4.528 -1.020 1.00 0.00 C ATOM 1295 O MET A 85 1.389 -5.380 -0.701 1.00 0.00 O ATOM 1296 CB MET A 85 4.282 -4.408 0.356 1.00 0.00 C ATOM 1297 CG MET A 85 5.245 -4.231 -0.820 1.00 0.00 C ATOM 1298 SD MET A 85 6.574 -3.094 -0.349 1.00 0.00 S ATOM 1299 CE MET A 85 5.622 -1.557 -0.440 1.00 0.00 C ATOM 0 H MET A 85 2.485 -4.129 2.077 1.00 0.00 H new ATOM 0 HA MET A 85 3.157 -2.727 -0.329 1.00 0.00 H new ATOM 0 HB2 MET A 85 4.713 -3.976 1.259 1.00 0.00 H new ATOM 0 HB3 MET A 85 4.125 -5.468 0.554 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.663 -5.195 -1.110 1.00 0.00 H new ATOM 0 HG3 MET A 85 4.710 -3.842 -1.686 1.00 0.00 H new ATOM 0 HE1 MET A 85 6.304 -0.707 -0.447 1.00 0.00 H new ATOM 0 HE2 MET A 85 5.026 -1.552 -1.353 1.00 0.00 H new ATOM 0 HE3 MET A 85 4.962 -1.486 0.425 1.00 0.00 H new ATOM 1309 N VAL A 86 2.422 -4.236 -2.267 1.00 0.00 N ATOM 1310 CA VAL A 86 1.691 -4.952 -3.347 1.00 0.00 C ATOM 1311 C VAL A 86 2.671 -5.417 -4.424 1.00 0.00 C ATOM 1312 O VAL A 86 3.601 -4.719 -4.774 1.00 0.00 O ATOM 1313 CB VAL A 86 0.677 -3.988 -3.955 1.00 0.00 C ATOM 1314 CG1 VAL A 86 -0.125 -4.708 -5.029 1.00 0.00 C ATOM 1315 CG2 VAL A 86 -0.267 -3.478 -2.862 1.00 0.00 C ATOM 0 H VAL A 86 3.086 -3.530 -2.587 1.00 0.00 H new ATOM 0 HA VAL A 86 1.185 -5.827 -2.939 1.00 0.00 H new ATOM 0 HB VAL A 86 1.201 -3.142 -4.400 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.850 -4.020 -5.464 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.549 -5.066 -5.808 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.649 -5.555 -4.586 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.991 -2.789 -3.298 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.793 -4.321 -2.413 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.310 -2.960 -2.096 1.00 0.00 H new ATOM 1325 N THR A 87 2.470 -6.596 -4.955 1.00 0.00 N ATOM 1326 CA THR A 87 3.401 -7.094 -6.012 1.00 0.00 C ATOM 1327 C THR A 87 2.648 -8.021 -6.966 1.00 0.00 C ATOM 1328 O THR A 87 1.627 -8.579 -6.625 1.00 0.00 O ATOM 1329 CB THR A 87 4.554 -7.860 -5.361 1.00 0.00 C ATOM 1330 OG1 THR A 87 5.423 -8.356 -6.369 1.00 0.00 O ATOM 1331 CG2 THR A 87 3.993 -9.022 -4.549 1.00 0.00 C ATOM 0 H THR A 87 1.710 -7.229 -4.706 1.00 0.00 H new ATOM 0 HA THR A 87 3.798 -6.246 -6.570 1.00 0.00 H new ATOM 0 HB THR A 87 5.111 -7.193 -4.703 1.00 0.00 H new ATOM 0 HG1 THR A 87 6.163 -8.845 -5.952 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.812 -9.570 -4.084 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.328 -8.638 -3.775 1.00 0.00 H new ATOM 0 HG23 THR A 87 3.437 -9.690 -5.206 1.00 0.00 H new ATOM 1339 N ALA A 88 3.146 -8.189 -8.162 1.00 0.00 N ATOM 1340 CA ALA A 88 2.457 -9.078 -9.140 1.00 0.00 C ATOM 1341 C ALA A 88 3.077 -10.477 -9.097 1.00 0.00 C ATOM 1342 O ALA A 88 2.381 -11.473 -9.100 1.00 0.00 O ATOM 1343 CB ALA A 88 2.607 -8.497 -10.548 1.00 0.00 C ATOM 0 H ALA A 88 4.000 -7.749 -8.503 1.00 0.00 H new ATOM 0 HA ALA A 88 1.400 -9.146 -8.882 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.104 -9.146 -11.265 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.160 -7.504 -10.581 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.665 -8.427 -10.802 1.00 0.00 H new ATOM 1349 N GLU A 89 4.378 -10.560 -9.065 1.00 0.00 N ATOM 1350 CA GLU A 89 5.038 -11.896 -9.031 1.00 0.00 C ATOM 1351 C GLU A 89 4.940 -12.488 -7.623 1.00 0.00 C ATOM 1352 O GLU A 89 4.312 -13.506 -7.410 1.00 0.00 O ATOM 1353 CB GLU A 89 6.511 -11.746 -9.418 1.00 0.00 C ATOM 1354 CG GLU A 89 6.951 -10.296 -9.205 1.00 0.00 C ATOM 1355 CD GLU A 89 8.477 -10.211 -9.254 1.00 0.00 C ATOM 1356 OE1 GLU A 89 9.014 -10.178 -10.350 1.00 0.00 O ATOM 1357 OE2 GLU A 89 9.084 -10.181 -8.197 1.00 0.00 O ATOM 0 H GLU A 89 5.013 -9.762 -9.061 1.00 0.00 H new ATOM 0 HA GLU A 89 4.539 -12.561 -9.736 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.126 -12.416 -8.816 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.655 -12.031 -10.460 1.00 0.00 H new ATOM 0 HG2 GLU A 89 6.516 -9.657 -9.973 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.587 -9.932 -8.244 1.00 0.00 H new ATOM 1364 N ALA A 90 5.559 -11.862 -6.661 1.00 0.00 N ATOM 1365 CA ALA A 90 5.506 -12.391 -5.268 1.00 0.00 C ATOM 1366 C ALA A 90 6.040 -13.826 -5.246 1.00 0.00 C ATOM 1367 O ALA A 90 5.314 -14.773 -5.480 1.00 0.00 O ATOM 1368 CB ALA A 90 4.062 -12.369 -4.761 1.00 0.00 C ATOM 0 H ALA A 90 6.100 -11.006 -6.779 1.00 0.00 H new ATOM 0 HA ALA A 90 6.121 -11.766 -4.620 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.028 -12.756 -3.743 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.688 -11.345 -4.772 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.440 -12.990 -5.406 1.00 0.00 H new ATOM 1374 N LYS A 91 7.306 -13.989 -4.965 1.00 0.00 N ATOM 1375 CA LYS A 91 7.899 -15.357 -4.921 1.00 0.00 C ATOM 1376 C LYS A 91 8.014 -15.807 -3.464 1.00 0.00 C ATOM 1377 O LYS A 91 7.119 -16.424 -2.920 1.00 0.00 O ATOM 1378 CB LYS A 91 9.290 -15.326 -5.559 1.00 0.00 C ATOM 1379 CG LYS A 91 9.921 -16.719 -5.484 1.00 0.00 C ATOM 1380 CD LYS A 91 11.225 -16.733 -6.285 1.00 0.00 C ATOM 1381 CE LYS A 91 12.278 -17.547 -5.531 1.00 0.00 C ATOM 1382 NZ LYS A 91 11.778 -18.935 -5.323 1.00 0.00 N ATOM 0 H LYS A 91 7.957 -13.230 -4.763 1.00 0.00 H new ATOM 0 HA LYS A 91 7.264 -16.053 -5.469 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.217 -15.004 -6.598 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.921 -14.602 -5.044 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.117 -16.986 -4.445 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.231 -17.464 -5.880 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.054 -17.165 -7.271 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.580 -15.714 -6.440 1.00 0.00 H new ATOM 0 HE2 LYS A 91 13.211 -17.566 -6.095 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.495 -17.080 -4.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.574 -19.558 -5.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.084 -18.942 -4.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.326 -19.276 -6.195 1.00 0.00 H new ATOM 1396 N LYS A 92 9.109 -15.497 -2.826 1.00 0.00 N ATOM 1397 CA LYS A 92 9.287 -15.897 -1.403 1.00 0.00 C ATOM 1398 C LYS A 92 10.309 -14.966 -0.750 1.00 0.00 C ATOM 1399 O LYS A 92 9.980 -14.168 0.105 1.00 0.00 O ATOM 1400 CB LYS A 92 9.787 -17.343 -1.333 1.00 0.00 C ATOM 1401 CG LYS A 92 9.328 -17.978 -0.019 1.00 0.00 C ATOM 1402 CD LYS A 92 7.943 -18.599 -0.210 1.00 0.00 C ATOM 1403 CE LYS A 92 7.293 -18.828 1.156 1.00 0.00 C ATOM 1404 NZ LYS A 92 8.338 -19.195 2.152 1.00 0.00 N ATOM 0 H LYS A 92 9.891 -14.982 -3.231 1.00 0.00 H new ATOM 0 HA LYS A 92 8.335 -15.825 -0.878 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.403 -17.913 -2.179 1.00 0.00 H new ATOM 0 HB3 LYS A 92 10.875 -17.367 -1.400 1.00 0.00 H new ATOM 0 HG2 LYS A 92 10.040 -18.741 0.297 1.00 0.00 H new ATOM 0 HG3 LYS A 92 9.296 -17.226 0.769 1.00 0.00 H new ATOM 0 HD2 LYS A 92 7.319 -17.942 -0.816 1.00 0.00 H new ATOM 0 HD3 LYS A 92 8.027 -19.544 -0.747 1.00 0.00 H new ATOM 0 HE2 LYS A 92 6.771 -17.927 1.477 1.00 0.00 H new ATOM 0 HE3 LYS A 92 6.548 -19.621 1.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 7.889 -19.640 2.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 9.009 -19.863 1.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 8.846 -18.339 2.453 1.00 0.00 H new ATOM 1418 N GLU A 93 11.547 -15.057 -1.151 1.00 0.00 N ATOM 1419 CA GLU A 93 12.585 -14.175 -0.560 1.00 0.00 C ATOM 1420 C GLU A 93 12.151 -12.717 -0.711 1.00 0.00 C ATOM 1421 O GLU A 93 12.446 -11.883 0.122 1.00 0.00 O ATOM 1422 CB GLU A 93 13.915 -14.391 -1.285 1.00 0.00 C ATOM 1423 CG GLU A 93 14.383 -15.833 -1.081 1.00 0.00 C ATOM 1424 CD GLU A 93 15.876 -15.937 -1.398 1.00 0.00 C ATOM 1425 OE1 GLU A 93 16.255 -15.562 -2.495 1.00 0.00 O ATOM 1426 OE2 GLU A 93 16.614 -16.390 -0.539 1.00 0.00 O ATOM 0 H GLU A 93 11.882 -15.706 -1.863 1.00 0.00 H new ATOM 0 HA GLU A 93 12.709 -14.413 0.496 1.00 0.00 H new ATOM 0 HB2 GLU A 93 13.799 -14.183 -2.349 1.00 0.00 H new ATOM 0 HB3 GLU A 93 14.665 -13.697 -0.905 1.00 0.00 H new ATOM 0 HG2 GLU A 93 14.196 -16.145 -0.053 1.00 0.00 H new ATOM 0 HG3 GLU A 93 13.816 -16.505 -1.726 1.00 0.00 H new ATOM 1433 N ASN A 94 11.450 -12.403 -1.767 1.00 0.00 N ATOM 1434 CA ASN A 94 10.998 -10.999 -1.965 1.00 0.00 C ATOM 1435 C ASN A 94 9.811 -10.717 -1.046 1.00 0.00 C ATOM 1436 O ASN A 94 9.768 -9.718 -0.360 1.00 0.00 O ATOM 1437 CB ASN A 94 10.584 -10.789 -3.422 1.00 0.00 C ATOM 1438 CG ASN A 94 10.874 -9.346 -3.832 1.00 0.00 C ATOM 1439 OD1 ASN A 94 12.083 -8.875 -3.699 1.00 0.00 O flip ATOM 1440 ND2 ASN A 94 9.992 -8.643 -4.280 1.00 0.00 N flip ATOM 0 H ASN A 94 11.172 -13.057 -2.499 1.00 0.00 H new ATOM 0 HA ASN A 94 11.814 -10.317 -1.726 1.00 0.00 H new ATOM 0 HB2 ASN A 94 11.128 -11.478 -4.068 1.00 0.00 H new ATOM 0 HB3 ASN A 94 9.523 -11.007 -3.545 1.00 0.00 H new ATOM 0 HD21 ASN A 94 9.047 -9.014 -4.383 1.00 0.00 H new ATOM 0 HD22 ASN A 94 10.195 -7.682 -4.553 1.00 0.00 H new ATOM 1447 N ILE A 95 8.849 -11.591 -1.018 1.00 0.00 N ATOM 1448 CA ILE A 95 7.675 -11.366 -0.130 1.00 0.00 C ATOM 1449 C ILE A 95 8.172 -11.108 1.291 1.00 0.00 C ATOM 1450 O ILE A 95 7.720 -10.204 1.966 1.00 0.00 O ATOM 1451 CB ILE A 95 6.773 -12.601 -0.137 1.00 0.00 C ATOM 1452 CG1 ILE A 95 6.038 -12.688 -1.477 1.00 0.00 C ATOM 1453 CG2 ILE A 95 5.755 -12.493 1.002 1.00 0.00 C ATOM 1454 CD1 ILE A 95 5.336 -14.043 -1.593 1.00 0.00 C ATOM 0 H ILE A 95 8.822 -12.449 -1.569 1.00 0.00 H new ATOM 0 HA ILE A 95 7.106 -10.508 -0.488 1.00 0.00 H new ATOM 0 HB ILE A 95 7.378 -13.497 0.002 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.309 -11.882 -1.556 1.00 0.00 H new ATOM 0 HG13 ILE A 95 6.743 -12.561 -2.298 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.111 -13.372 0.999 1.00 0.00 H new ATOM 0 HG22 ILE A 95 6.280 -12.431 1.955 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.148 -11.598 0.864 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.814 -14.102 -2.548 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.075 -14.842 -1.534 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.618 -14.152 -0.780 1.00 0.00 H new ATOM 1466 N ILE A 96 9.103 -11.899 1.750 1.00 0.00 N ATOM 1467 CA ILE A 96 9.633 -11.701 3.126 1.00 0.00 C ATOM 1468 C ILE A 96 10.379 -10.368 3.191 1.00 0.00 C ATOM 1469 O ILE A 96 10.630 -9.844 4.255 1.00 0.00 O ATOM 1470 CB ILE A 96 10.594 -12.841 3.475 1.00 0.00 C ATOM 1471 CG1 ILE A 96 9.791 -14.098 3.822 1.00 0.00 C ATOM 1472 CG2 ILE A 96 11.450 -12.440 4.677 1.00 0.00 C ATOM 1473 CD1 ILE A 96 10.641 -15.339 3.543 1.00 0.00 C ATOM 0 H ILE A 96 9.518 -12.673 1.231 1.00 0.00 H new ATOM 0 HA ILE A 96 8.807 -11.695 3.838 1.00 0.00 H new ATOM 0 HB ILE A 96 11.239 -13.044 2.620 1.00 0.00 H new ATOM 0 HG12 ILE A 96 9.495 -14.075 4.871 1.00 0.00 H new ATOM 0 HG13 ILE A 96 8.875 -14.132 3.233 1.00 0.00 H new ATOM 0 HG21 ILE A 96 12.133 -13.252 4.924 1.00 0.00 H new ATOM 0 HG22 ILE A 96 12.023 -11.545 4.433 1.00 0.00 H new ATOM 0 HG23 ILE A 96 10.805 -12.236 5.531 1.00 0.00 H new ATOM 0 HD11 ILE A 96 10.070 -16.234 3.790 1.00 0.00 H new ATOM 0 HD12 ILE A 96 10.915 -15.363 2.488 1.00 0.00 H new ATOM 0 HD13 ILE A 96 11.544 -15.306 4.152 1.00 0.00 H new ATOM 1485 N ALA A 97 10.734 -9.814 2.062 1.00 0.00 N ATOM 1486 CA ALA A 97 11.462 -8.512 2.070 1.00 0.00 C ATOM 1487 C ALA A 97 10.570 -7.438 2.689 1.00 0.00 C ATOM 1488 O ALA A 97 10.826 -6.962 3.775 1.00 0.00 O ATOM 1489 CB ALA A 97 11.828 -8.115 0.641 1.00 0.00 C ATOM 0 H ALA A 97 10.552 -10.205 1.138 1.00 0.00 H new ATOM 0 HA ALA A 97 12.375 -8.611 2.657 1.00 0.00 H new ATOM 0 HB1 ALA A 97 12.359 -7.163 0.653 1.00 0.00 H new ATOM 0 HB2 ALA A 97 12.466 -8.882 0.203 1.00 0.00 H new ATOM 0 HB3 ALA A 97 10.920 -8.016 0.047 1.00 0.00 H new ATOM 1495 N ALA A 98 9.520 -7.054 2.014 1.00 0.00 N ATOM 1496 CA ALA A 98 8.616 -6.015 2.587 1.00 0.00 C ATOM 1497 C ALA A 98 8.313 -6.382 4.028 1.00 0.00 C ATOM 1498 O ALA A 98 8.356 -5.555 4.917 1.00 0.00 O ATOM 1499 CB ALA A 98 7.299 -5.969 1.814 1.00 0.00 C ATOM 0 H ALA A 98 9.250 -7.411 1.098 1.00 0.00 H new ATOM 0 HA ALA A 98 9.104 -5.042 2.523 1.00 0.00 H new ATOM 0 HB1 ALA A 98 6.651 -5.206 2.245 1.00 0.00 H new ATOM 0 HB2 ALA A 98 7.498 -5.729 0.770 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.807 -6.940 1.875 1.00 0.00 H new ATOM 1505 N ALA A 99 7.999 -7.620 4.265 1.00 0.00 N ATOM 1506 CA ALA A 99 7.686 -8.037 5.640 1.00 0.00 C ATOM 1507 C ALA A 99 8.956 -7.960 6.495 1.00 0.00 C ATOM 1508 O ALA A 99 8.892 -7.758 7.690 1.00 0.00 O ATOM 1509 CB ALA A 99 7.163 -9.470 5.635 1.00 0.00 C ATOM 0 H ALA A 99 7.947 -8.357 3.561 1.00 0.00 H new ATOM 0 HA ALA A 99 6.924 -7.377 6.055 1.00 0.00 H new ATOM 0 HB1 ALA A 99 6.932 -9.777 6.655 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.261 -9.526 5.026 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.922 -10.133 5.220 1.00 0.00 H new ATOM 1515 N GLN A 100 10.118 -8.105 5.899 1.00 0.00 N ATOM 1516 CA GLN A 100 11.362 -8.006 6.715 1.00 0.00 C ATOM 1517 C GLN A 100 11.308 -6.659 7.411 1.00 0.00 C ATOM 1518 O GLN A 100 11.752 -6.493 8.531 1.00 0.00 O ATOM 1519 CB GLN A 100 12.609 -8.081 5.826 1.00 0.00 C ATOM 1520 CG GLN A 100 13.862 -8.125 6.707 1.00 0.00 C ATOM 1521 CD GLN A 100 13.900 -9.444 7.484 1.00 0.00 C ATOM 1522 OE1 GLN A 100 13.320 -9.553 8.546 1.00 0.00 O ATOM 1523 NE2 GLN A 100 14.563 -10.456 6.997 1.00 0.00 N ATOM 0 H GLN A 100 10.254 -8.284 4.904 1.00 0.00 H new ATOM 0 HA GLN A 100 11.422 -8.829 7.427 1.00 0.00 H new ATOM 0 HB2 GLN A 100 12.565 -8.967 5.193 1.00 0.00 H new ATOM 0 HB3 GLN A 100 12.648 -7.217 5.162 1.00 0.00 H new ATOM 0 HG2 GLN A 100 14.756 -8.029 6.090 1.00 0.00 H new ATOM 0 HG3 GLN A 100 13.861 -7.283 7.400 1.00 0.00 H new ATOM 0 HE21 GLN A 100 15.050 -10.365 6.105 1.00 0.00 H new ATOM 0 HE22 GLN A 100 14.594 -11.338 7.508 1.00 0.00 H new ATOM 1532 N ALA A 101 10.704 -5.709 6.758 1.00 0.00 N ATOM 1533 CA ALA A 101 10.535 -4.370 7.367 1.00 0.00 C ATOM 1534 C ALA A 101 9.243 -4.451 8.173 1.00 0.00 C ATOM 1535 O ALA A 101 9.008 -3.708 9.107 1.00 0.00 O ATOM 1536 CB ALA A 101 10.429 -3.312 6.265 1.00 0.00 C ATOM 0 H ALA A 101 10.317 -5.807 5.819 1.00 0.00 H new ATOM 0 HA ALA A 101 11.377 -4.090 8.000 1.00 0.00 H new ATOM 0 HB1 ALA A 101 10.305 -2.328 6.716 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.337 -3.323 5.662 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.570 -3.532 5.631 1.00 0.00 H new ATOM 1542 N GLY A 102 8.434 -5.419 7.825 1.00 0.00 N ATOM 1543 CA GLY A 102 7.166 -5.679 8.547 1.00 0.00 C ATOM 1544 C GLY A 102 6.193 -4.521 8.440 1.00 0.00 C ATOM 1545 O GLY A 102 6.010 -3.784 9.388 1.00 0.00 O ATOM 0 H GLY A 102 8.611 -6.054 7.047 1.00 0.00 H new ATOM 0 HA2 GLY A 102 6.701 -6.579 8.146 1.00 0.00 H new ATOM 0 HA3 GLY A 102 7.382 -5.873 9.598 1.00 0.00 H new ATOM 1549 N ALA A 103 5.537 -4.347 7.324 1.00 0.00 N ATOM 1550 CA ALA A 103 4.576 -3.222 7.282 1.00 0.00 C ATOM 1551 C ALA A 103 3.200 -3.682 7.733 1.00 0.00 C ATOM 1552 O ALA A 103 2.986 -4.087 8.859 1.00 0.00 O ATOM 1553 CB ALA A 103 4.428 -2.819 5.827 1.00 0.00 C ATOM 0 H ALA A 103 5.621 -4.910 6.478 1.00 0.00 H new ATOM 0 HA ALA A 103 4.934 -2.416 7.923 1.00 0.00 H new ATOM 0 HB1 ALA A 103 3.726 -1.989 5.749 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.397 -2.512 5.434 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.055 -3.666 5.251 1.00 0.00 H new ATOM 1559 N SER A 104 2.295 -3.694 6.808 1.00 0.00 N ATOM 1560 CA SER A 104 0.924 -4.206 7.072 1.00 0.00 C ATOM 1561 C SER A 104 0.897 -5.684 6.718 1.00 0.00 C ATOM 1562 O SER A 104 0.449 -6.532 7.464 1.00 0.00 O ATOM 1563 CB SER A 104 -0.107 -3.443 6.246 1.00 0.00 C ATOM 1564 OG SER A 104 -0.534 -4.249 5.159 1.00 0.00 O ATOM 0 H SER A 104 2.447 -3.363 5.855 1.00 0.00 H new ATOM 0 HA SER A 104 0.672 -4.065 8.123 1.00 0.00 H new ATOM 0 HB2 SER A 104 -0.960 -3.173 6.869 1.00 0.00 H new ATOM 0 HB3 SER A 104 0.324 -2.513 5.875 1.00 0.00 H new ATOM 0 HG SER A 104 -1.513 -4.268 5.131 1.00 0.00 H new ATOM 1570 N GLY A 105 1.370 -5.961 5.531 1.00 0.00 N ATOM 1571 CA GLY A 105 1.393 -7.351 4.999 1.00 0.00 C ATOM 1572 C GLY A 105 1.763 -7.308 3.511 1.00 0.00 C ATOM 1573 O GLY A 105 2.382 -6.364 3.042 1.00 0.00 O ATOM 0 H GLY A 105 1.751 -5.261 4.894 1.00 0.00 H new ATOM 0 HA2 GLY A 105 2.115 -7.953 5.550 1.00 0.00 H new ATOM 0 HA3 GLY A 105 0.419 -7.821 5.132 1.00 0.00 H new ATOM 1577 N TYR A 106 1.375 -8.310 2.763 1.00 0.00 N ATOM 1578 CA TYR A 106 1.685 -8.321 1.303 1.00 0.00 C ATOM 1579 C TYR A 106 0.510 -8.920 0.535 1.00 0.00 C ATOM 1580 O TYR A 106 0.060 -10.011 0.824 1.00 0.00 O ATOM 1581 CB TYR A 106 2.930 -9.171 1.030 1.00 0.00 C ATOM 1582 CG TYR A 106 2.605 -10.221 -0.015 1.00 0.00 C ATOM 1583 CD1 TYR A 106 2.437 -9.860 -1.361 1.00 0.00 C ATOM 1584 CD2 TYR A 106 2.470 -11.562 0.364 1.00 0.00 C ATOM 1585 CE1 TYR A 106 2.137 -10.839 -2.314 1.00 0.00 C ATOM 1586 CE2 TYR A 106 2.171 -12.538 -0.592 1.00 0.00 C ATOM 1587 CZ TYR A 106 2.005 -12.177 -1.930 1.00 0.00 C ATOM 1588 OH TYR A 106 1.710 -13.141 -2.872 1.00 0.00 O ATOM 0 H TYR A 106 0.857 -9.121 3.101 1.00 0.00 H new ATOM 0 HA TYR A 106 1.865 -7.296 0.979 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.747 -8.538 0.683 1.00 0.00 H new ATOM 0 HB3 TYR A 106 3.266 -9.650 1.950 1.00 0.00 H new ATOM 0 HD1 TYR A 106 2.539 -8.827 -1.661 1.00 0.00 H new ATOM 0 HD2 TYR A 106 2.597 -11.844 1.399 1.00 0.00 H new ATOM 0 HE1 TYR A 106 2.007 -10.561 -3.349 1.00 0.00 H new ATOM 0 HE2 TYR A 106 2.069 -13.571 -0.295 1.00 0.00 H new ATOM 0 HH TYR A 106 1.655 -14.017 -2.437 1.00 0.00 H new ATOM 1598 N VAL A 107 0.032 -8.218 -0.457 1.00 0.00 N ATOM 1599 CA VAL A 107 -1.097 -8.735 -1.282 1.00 0.00 C ATOM 1600 C VAL A 107 -0.605 -8.890 -2.718 1.00 0.00 C ATOM 1601 O VAL A 107 0.057 -8.019 -3.252 1.00 0.00 O ATOM 1602 CB VAL A 107 -2.258 -7.744 -1.251 1.00 0.00 C ATOM 1603 CG1 VAL A 107 -1.824 -6.446 -1.927 1.00 0.00 C ATOM 1604 CG2 VAL A 107 -3.453 -8.336 -2.002 1.00 0.00 C ATOM 0 H VAL A 107 0.379 -7.300 -0.733 1.00 0.00 H new ATOM 0 HA VAL A 107 -1.439 -9.692 -0.889 1.00 0.00 H new ATOM 0 HB VAL A 107 -2.544 -7.543 -0.218 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.648 -5.733 -1.909 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -0.970 -6.027 -1.395 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.544 -6.650 -2.960 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.283 -7.629 -1.981 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.171 -8.533 -3.036 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -3.757 -9.267 -1.525 1.00 0.00 H new ATOM 1614 N VAL A 108 -0.910 -9.985 -3.349 1.00 0.00 N ATOM 1615 CA VAL A 108 -0.442 -10.175 -4.745 1.00 0.00 C ATOM 1616 C VAL A 108 -1.479 -9.597 -5.718 1.00 0.00 C ATOM 1617 O VAL A 108 -2.627 -9.996 -5.725 1.00 0.00 O ATOM 1618 CB VAL A 108 -0.257 -11.668 -5.026 1.00 0.00 C ATOM 1619 CG1 VAL A 108 -1.358 -12.461 -4.320 1.00 0.00 C ATOM 1620 CG2 VAL A 108 -0.340 -11.917 -6.535 1.00 0.00 C ATOM 0 H VAL A 108 -1.459 -10.752 -2.962 1.00 0.00 H new ATOM 0 HA VAL A 108 0.509 -9.660 -4.879 1.00 0.00 H new ATOM 0 HB VAL A 108 0.717 -11.989 -4.656 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.226 -13.524 -4.520 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.302 -12.284 -3.246 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -2.332 -12.140 -4.690 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.208 -12.980 -6.736 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.314 -11.596 -6.904 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.443 -11.352 -7.041 1.00 0.00 H new ATOM 1630 N LYS A 109 -1.082 -8.664 -6.538 1.00 0.00 N ATOM 1631 CA LYS A 109 -2.035 -8.055 -7.514 1.00 0.00 C ATOM 1632 C LYS A 109 -1.914 -8.806 -8.853 1.00 0.00 C ATOM 1633 O LYS A 109 -0.916 -9.456 -9.085 1.00 0.00 O ATOM 1634 CB LYS A 109 -1.660 -6.569 -7.678 1.00 0.00 C ATOM 1635 CG LYS A 109 -1.012 -6.301 -9.050 1.00 0.00 C ATOM 1636 CD LYS A 109 -0.528 -4.848 -9.121 1.00 0.00 C ATOM 1637 CE LYS A 109 0.672 -4.759 -10.068 1.00 0.00 C ATOM 1638 NZ LYS A 109 0.800 -3.367 -10.582 1.00 0.00 N ATOM 0 H LYS A 109 -0.132 -8.293 -6.576 1.00 0.00 H new ATOM 0 HA LYS A 109 -3.066 -8.129 -7.168 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.552 -5.953 -7.569 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -0.972 -6.276 -6.885 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.174 -6.981 -9.206 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -1.731 -6.494 -9.846 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.332 -4.202 -9.473 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -0.249 -4.497 -8.128 1.00 0.00 H new ATOM 0 HE2 LYS A 109 1.583 -5.050 -9.545 1.00 0.00 H new ATOM 0 HE3 LYS A 109 0.545 -5.454 -10.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 0.520 -3.340 -11.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 0.182 -2.736 -10.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 1.787 -3.052 -10.489 1.00 0.00 H new ATOM 1652 N PRO A 110 -2.898 -8.676 -9.723 1.00 0.00 N ATOM 1653 CA PRO A 110 -4.138 -7.893 -9.488 1.00 0.00 C ATOM 1654 C PRO A 110 -5.072 -8.644 -8.531 1.00 0.00 C ATOM 1655 O PRO A 110 -5.382 -9.799 -8.742 1.00 0.00 O ATOM 1656 CB PRO A 110 -4.809 -7.813 -10.867 1.00 0.00 C ATOM 1657 CG PRO A 110 -3.925 -8.599 -11.867 1.00 0.00 C ATOM 1658 CD PRO A 110 -2.811 -9.280 -11.061 1.00 0.00 C ATOM 0 HA PRO A 110 -3.925 -6.918 -9.051 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -5.813 -8.236 -10.829 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.913 -6.775 -11.182 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -4.518 -9.340 -12.403 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -3.502 -7.928 -12.615 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -2.956 -10.360 -11.019 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -1.834 -9.107 -11.511 1.00 0.00 H new ATOM 1666 N PHE A 111 -5.527 -7.997 -7.488 1.00 0.00 N ATOM 1667 CA PHE A 111 -6.446 -8.684 -6.533 1.00 0.00 C ATOM 1668 C PHE A 111 -7.885 -8.294 -6.822 1.00 0.00 C ATOM 1669 O PHE A 111 -8.169 -7.252 -7.379 1.00 0.00 O ATOM 1670 CB PHE A 111 -6.139 -8.268 -5.087 1.00 0.00 C ATOM 1671 CG PHE A 111 -5.854 -6.785 -5.026 1.00 0.00 C ATOM 1672 CD1 PHE A 111 -6.891 -5.852 -5.193 1.00 0.00 C ATOM 1673 CD2 PHE A 111 -4.545 -6.341 -4.830 1.00 0.00 C ATOM 1674 CE1 PHE A 111 -6.606 -4.484 -5.163 1.00 0.00 C ATOM 1675 CE2 PHE A 111 -4.262 -4.971 -4.806 1.00 0.00 C ATOM 1676 CZ PHE A 111 -5.292 -4.042 -4.975 1.00 0.00 C ATOM 0 H PHE A 111 -5.303 -7.029 -7.258 1.00 0.00 H new ATOM 0 HA PHE A 111 -6.303 -9.758 -6.654 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -6.984 -8.511 -4.443 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -5.281 -8.827 -4.713 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -7.905 -6.191 -5.344 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -3.748 -7.058 -4.696 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -7.403 -3.766 -5.285 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -3.248 -4.632 -4.657 1.00 0.00 H new ATOM 0 HZ PHE A 111 -5.074 -2.984 -4.961 1.00 0.00 H new ATOM 1686 N THR A 112 -8.795 -9.108 -6.393 1.00 0.00 N ATOM 1687 CA THR A 112 -10.230 -8.783 -6.565 1.00 0.00 C ATOM 1688 C THR A 112 -10.668 -8.078 -5.285 1.00 0.00 C ATOM 1689 O THR A 112 -10.159 -8.363 -4.220 1.00 0.00 O ATOM 1690 CB THR A 112 -11.042 -10.067 -6.754 1.00 0.00 C ATOM 1691 OG1 THR A 112 -10.197 -11.092 -7.260 1.00 0.00 O ATOM 1692 CG2 THR A 112 -12.184 -9.810 -7.740 1.00 0.00 C ATOM 0 H THR A 112 -8.606 -9.995 -5.925 1.00 0.00 H new ATOM 0 HA THR A 112 -10.389 -8.155 -7.441 1.00 0.00 H new ATOM 0 HB THR A 112 -11.456 -10.379 -5.795 1.00 0.00 H new ATOM 0 HG1 THR A 112 -10.716 -11.915 -7.379 1.00 0.00 H new ATOM 0 HG21 THR A 112 -12.762 -10.725 -7.874 1.00 0.00 H new ATOM 0 HG22 THR A 112 -12.832 -9.025 -7.350 1.00 0.00 H new ATOM 0 HG23 THR A 112 -11.773 -9.497 -8.700 1.00 0.00 H new ATOM 1700 N ALA A 113 -11.576 -7.150 -5.366 1.00 0.00 N ATOM 1701 CA ALA A 113 -12.002 -6.434 -4.131 1.00 0.00 C ATOM 1702 C ALA A 113 -12.237 -7.435 -3.009 1.00 0.00 C ATOM 1703 O ALA A 113 -12.148 -7.099 -1.849 1.00 0.00 O ATOM 1704 CB ALA A 113 -13.287 -5.648 -4.401 1.00 0.00 C ATOM 0 H ALA A 113 -12.040 -6.856 -6.226 1.00 0.00 H new ATOM 0 HA ALA A 113 -11.216 -5.740 -3.833 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -13.592 -5.127 -3.494 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -13.109 -4.922 -5.194 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -14.076 -6.335 -4.708 1.00 0.00 H new ATOM 1710 N ALA A 114 -12.515 -8.665 -3.332 1.00 0.00 N ATOM 1711 CA ALA A 114 -12.726 -9.669 -2.258 1.00 0.00 C ATOM 1712 C ALA A 114 -11.373 -10.008 -1.640 1.00 0.00 C ATOM 1713 O ALA A 114 -11.249 -10.177 -0.443 1.00 0.00 O ATOM 1714 CB ALA A 114 -13.368 -10.930 -2.838 1.00 0.00 C ATOM 0 H ALA A 114 -12.605 -9.016 -4.286 1.00 0.00 H new ATOM 0 HA ALA A 114 -13.392 -9.264 -1.496 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -13.519 -11.660 -2.043 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -14.329 -10.676 -3.285 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -12.714 -11.353 -3.600 1.00 0.00 H new ATOM 1720 N THR A 115 -10.348 -10.090 -2.445 1.00 0.00 N ATOM 1721 CA THR A 115 -9.003 -10.392 -1.891 1.00 0.00 C ATOM 1722 C THR A 115 -8.541 -9.190 -1.071 1.00 0.00 C ATOM 1723 O THR A 115 -8.348 -9.298 0.123 1.00 0.00 O ATOM 1724 CB THR A 115 -8.020 -10.661 -3.025 1.00 0.00 C ATOM 1725 OG1 THR A 115 -8.581 -10.200 -4.240 1.00 0.00 O ATOM 1726 CG2 THR A 115 -7.751 -12.163 -3.126 1.00 0.00 C ATOM 0 H THR A 115 -10.386 -9.961 -3.456 1.00 0.00 H new ATOM 0 HA THR A 115 -9.049 -11.279 -1.259 1.00 0.00 H new ATOM 0 HB THR A 115 -7.082 -10.141 -2.829 1.00 0.00 H new ATOM 0 HG1 THR A 115 -8.842 -9.260 -4.144 1.00 0.00 H new ATOM 0 HG21 THR A 115 -7.048 -12.353 -3.937 1.00 0.00 H new ATOM 0 HG22 THR A 115 -7.327 -12.521 -2.188 1.00 0.00 H new ATOM 0 HG23 THR A 115 -8.686 -12.687 -3.325 1.00 0.00 H new ATOM 1734 N LEU A 116 -8.371 -8.035 -1.683 1.00 0.00 N ATOM 1735 CA LEU A 116 -7.943 -6.857 -0.881 1.00 0.00 C ATOM 1736 C LEU A 116 -8.815 -6.767 0.374 1.00 0.00 C ATOM 1737 O LEU A 116 -8.329 -6.502 1.456 1.00 0.00 O ATOM 1738 CB LEU A 116 -8.105 -5.575 -1.700 1.00 0.00 C ATOM 1739 CG LEU A 116 -7.025 -4.563 -1.280 1.00 0.00 C ATOM 1740 CD1 LEU A 116 -5.642 -5.032 -1.749 1.00 0.00 C ATOM 1741 CD2 LEU A 116 -7.322 -3.194 -1.900 1.00 0.00 C ATOM 0 H LEU A 116 -8.508 -7.867 -2.680 1.00 0.00 H new ATOM 0 HA LEU A 116 -6.895 -6.971 -0.604 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -8.018 -5.796 -2.764 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -9.097 -5.152 -1.542 1.00 0.00 H new ATOM 0 HG LEU A 116 -7.031 -4.486 -0.193 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.889 -4.305 -1.444 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.415 -6.000 -1.301 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.638 -5.125 -2.835 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -6.553 -2.483 -1.598 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -7.329 -3.281 -2.987 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -8.295 -2.843 -1.557 1.00 0.00 H new ATOM 1753 N GLU A 117 -10.101 -6.994 0.247 1.00 0.00 N ATOM 1754 CA GLU A 117 -10.979 -6.925 1.438 1.00 0.00 C ATOM 1755 C GLU A 117 -10.547 -7.983 2.452 1.00 0.00 C ATOM 1756 O GLU A 117 -10.322 -7.697 3.610 1.00 0.00 O ATOM 1757 CB GLU A 117 -12.421 -7.188 1.017 1.00 0.00 C ATOM 1758 CG GLU A 117 -13.033 -5.904 0.450 1.00 0.00 C ATOM 1759 CD GLU A 117 -14.305 -6.244 -0.330 1.00 0.00 C ATOM 1760 OE1 GLU A 117 -15.280 -6.618 0.299 1.00 0.00 O ATOM 1761 OE2 GLU A 117 -14.281 -6.125 -1.544 1.00 0.00 O ATOM 0 H GLU A 117 -10.571 -7.222 -0.629 1.00 0.00 H new ATOM 0 HA GLU A 117 -10.903 -5.936 1.890 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -12.453 -7.980 0.268 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -13.003 -7.534 1.872 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -13.264 -5.211 1.259 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -12.317 -5.405 -0.202 1.00 0.00 H new ATOM 1768 N GLU A 118 -10.434 -9.207 2.019 1.00 0.00 N ATOM 1769 CA GLU A 118 -10.020 -10.297 2.947 1.00 0.00 C ATOM 1770 C GLU A 118 -8.816 -9.837 3.770 1.00 0.00 C ATOM 1771 O GLU A 118 -8.792 -9.963 4.978 1.00 0.00 O ATOM 1772 CB GLU A 118 -9.639 -11.539 2.139 1.00 0.00 C ATOM 1773 CG GLU A 118 -10.871 -12.424 1.944 1.00 0.00 C ATOM 1774 CD GLU A 118 -10.562 -13.511 0.914 1.00 0.00 C ATOM 1775 OE1 GLU A 118 -10.278 -13.162 -0.220 1.00 0.00 O ATOM 1776 OE2 GLU A 118 -10.614 -14.676 1.277 1.00 0.00 O ATOM 0 H GLU A 118 -10.611 -9.501 1.059 1.00 0.00 H new ATOM 0 HA GLU A 118 -10.847 -10.537 3.615 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -9.234 -11.245 1.171 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -8.857 -12.096 2.656 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -11.159 -12.878 2.892 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -11.715 -11.821 1.610 1.00 0.00 H new ATOM 1783 N LYS A 119 -7.814 -9.305 3.125 1.00 0.00 N ATOM 1784 CA LYS A 119 -6.613 -8.839 3.870 1.00 0.00 C ATOM 1785 C LYS A 119 -6.970 -7.597 4.690 1.00 0.00 C ATOM 1786 O LYS A 119 -6.516 -7.424 5.804 1.00 0.00 O ATOM 1787 CB LYS A 119 -5.500 -8.488 2.875 1.00 0.00 C ATOM 1788 CG LYS A 119 -4.286 -9.399 3.092 1.00 0.00 C ATOM 1789 CD LYS A 119 -4.627 -10.827 2.656 1.00 0.00 C ATOM 1790 CE LYS A 119 -4.149 -11.048 1.219 1.00 0.00 C ATOM 1791 NZ LYS A 119 -2.689 -11.343 1.222 1.00 0.00 N ATOM 0 H LYS A 119 -7.776 -9.173 2.114 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.271 -9.630 4.537 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -5.867 -8.597 1.855 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.208 -7.445 2.999 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.434 -9.028 2.522 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -3.995 -9.389 4.142 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.152 -11.546 3.324 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -5.702 -10.992 2.723 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -4.697 -11.874 0.765 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -4.351 -10.162 0.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -2.472 -12.028 0.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -2.157 -10.465 1.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -2.417 -11.742 2.143 1.00 0.00 H new ATOM 1805 N LEU A 120 -7.777 -6.728 4.146 1.00 0.00 N ATOM 1806 CA LEU A 120 -8.156 -5.496 4.893 1.00 0.00 C ATOM 1807 C LEU A 120 -8.941 -5.874 6.152 1.00 0.00 C ATOM 1808 O LEU A 120 -8.513 -5.620 7.258 1.00 0.00 O ATOM 1809 CB LEU A 120 -9.023 -4.600 4.001 1.00 0.00 C ATOM 1810 CG LEU A 120 -8.818 -3.137 4.397 1.00 0.00 C ATOM 1811 CD1 LEU A 120 -7.640 -2.552 3.616 1.00 0.00 C ATOM 1812 CD2 LEU A 120 -10.083 -2.336 4.083 1.00 0.00 C ATOM 0 H LEU A 120 -8.190 -6.818 3.218 1.00 0.00 H new ATOM 0 HA LEU A 120 -7.252 -4.959 5.179 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -8.758 -4.745 2.954 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -10.073 -4.872 4.105 1.00 0.00 H new ATOM 0 HG LEU A 120 -8.609 -3.082 5.465 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -7.497 -1.510 3.900 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -6.736 -3.118 3.843 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -7.847 -2.611 2.547 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -9.934 -1.294 4.366 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -10.295 -2.395 3.016 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -10.923 -2.748 4.643 1.00 0.00 H new ATOM 1824 N ASN A 121 -10.089 -6.471 5.995 1.00 0.00 N ATOM 1825 CA ASN A 121 -10.900 -6.857 7.185 1.00 0.00 C ATOM 1826 C ASN A 121 -10.014 -7.567 8.210 1.00 0.00 C ATOM 1827 O ASN A 121 -9.973 -7.203 9.369 1.00 0.00 O ATOM 1828 CB ASN A 121 -12.026 -7.798 6.750 1.00 0.00 C ATOM 1829 CG ASN A 121 -13.358 -7.046 6.766 1.00 0.00 C ATOM 1830 OD1 ASN A 121 -13.662 -6.345 7.710 1.00 0.00 O ATOM 1831 ND2 ASN A 121 -14.172 -7.165 5.753 1.00 0.00 N ATOM 0 H ASN A 121 -10.502 -6.709 5.093 1.00 0.00 H new ATOM 0 HA ASN A 121 -11.324 -5.960 7.636 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -11.826 -8.183 5.750 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -12.074 -8.658 7.419 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -15.063 -6.669 5.754 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -13.917 -7.754 4.960 1.00 0.00 H new ATOM 1838 N LYS A 122 -9.314 -8.582 7.794 1.00 0.00 N ATOM 1839 CA LYS A 122 -8.438 -9.328 8.743 1.00 0.00 C ATOM 1840 C LYS A 122 -7.345 -8.404 9.288 1.00 0.00 C ATOM 1841 O LYS A 122 -6.728 -8.688 10.294 1.00 0.00 O ATOM 1842 CB LYS A 122 -7.788 -10.506 8.014 1.00 0.00 C ATOM 1843 CG LYS A 122 -8.753 -11.693 7.989 1.00 0.00 C ATOM 1844 CD LYS A 122 -8.460 -12.615 9.175 1.00 0.00 C ATOM 1845 CE LYS A 122 -9.453 -13.780 9.173 1.00 0.00 C ATOM 1846 NZ LYS A 122 -10.548 -13.499 10.144 1.00 0.00 N ATOM 0 H LYS A 122 -9.309 -8.930 6.835 1.00 0.00 H new ATOM 0 HA LYS A 122 -9.042 -9.694 9.573 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -7.526 -10.216 6.996 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -6.861 -10.789 8.514 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -9.783 -11.339 8.036 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -8.647 -12.242 7.053 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -7.440 -12.993 9.112 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -8.537 -12.059 10.109 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -9.865 -13.919 8.174 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -8.944 -14.706 9.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -11.224 -14.290 10.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -10.147 -13.387 11.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -11.039 -12.624 9.870 1.00 0.00 H new ATOM 1860 N ILE A 123 -7.093 -7.304 8.632 1.00 0.00 N ATOM 1861 CA ILE A 123 -6.032 -6.377 9.121 1.00 0.00 C ATOM 1862 C ILE A 123 -6.633 -5.361 10.093 1.00 0.00 C ATOM 1863 O ILE A 123 -6.072 -5.084 11.135 1.00 0.00 O ATOM 1864 CB ILE A 123 -5.409 -5.636 7.934 1.00 0.00 C ATOM 1865 CG1 ILE A 123 -4.287 -6.487 7.336 1.00 0.00 C ATOM 1866 CG2 ILE A 123 -4.834 -4.293 8.401 1.00 0.00 C ATOM 1867 CD1 ILE A 123 -3.890 -5.921 5.972 1.00 0.00 C ATOM 0 H ILE A 123 -7.573 -7.008 7.782 1.00 0.00 H new ATOM 0 HA ILE A 123 -5.265 -6.956 9.635 1.00 0.00 H new ATOM 0 HB ILE A 123 -6.176 -5.456 7.181 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -3.426 -6.493 8.004 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -4.617 -7.521 7.231 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -4.392 -3.771 7.552 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -5.632 -3.684 8.826 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -4.069 -4.468 9.157 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -3.091 -6.527 5.545 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -4.753 -5.938 5.306 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -3.543 -4.895 6.091 1.00 0.00 H new ATOM 1879 N PHE A 124 -7.753 -4.783 9.759 1.00 0.00 N ATOM 1880 CA PHE A 124 -8.352 -3.773 10.665 1.00 0.00 C ATOM 1881 C PHE A 124 -8.805 -4.438 11.962 1.00 0.00 C ATOM 1882 O PHE A 124 -8.768 -3.837 13.018 1.00 0.00 O ATOM 1883 CB PHE A 124 -9.524 -3.091 9.966 1.00 0.00 C ATOM 1884 CG PHE A 124 -8.976 -1.985 9.103 1.00 0.00 C ATOM 1885 CD1 PHE A 124 -8.225 -2.303 7.967 1.00 0.00 C ATOM 1886 CD2 PHE A 124 -9.196 -0.644 9.443 1.00 0.00 C ATOM 1887 CE1 PHE A 124 -7.696 -1.284 7.169 1.00 0.00 C ATOM 1888 CE2 PHE A 124 -8.668 0.376 8.645 1.00 0.00 C ATOM 1889 CZ PHE A 124 -7.917 0.055 7.507 1.00 0.00 C ATOM 0 H PHE A 124 -8.275 -4.967 8.902 1.00 0.00 H new ATOM 0 HA PHE A 124 -7.606 -3.018 10.912 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -10.075 -3.809 9.359 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -10.223 -2.690 10.700 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -8.053 -3.337 7.706 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -9.774 -0.398 10.322 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -7.117 -1.531 6.292 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -8.839 1.410 8.906 1.00 0.00 H new ATOM 0 HZ PHE A 124 -7.508 0.842 6.890 1.00 0.00 H new ATOM 1899 N GLU A 125 -9.212 -5.676 11.909 1.00 0.00 N ATOM 1900 CA GLU A 125 -9.629 -6.349 13.167 1.00 0.00 C ATOM 1901 C GLU A 125 -8.496 -6.187 14.174 1.00 0.00 C ATOM 1902 O GLU A 125 -8.702 -6.169 15.371 1.00 0.00 O ATOM 1903 CB GLU A 125 -9.887 -7.835 12.909 1.00 0.00 C ATOM 1904 CG GLU A 125 -9.718 -8.615 14.214 1.00 0.00 C ATOM 1905 CD GLU A 125 -10.454 -9.952 14.112 1.00 0.00 C ATOM 1906 OE1 GLU A 125 -10.609 -10.437 13.002 1.00 0.00 O ATOM 1907 OE2 GLU A 125 -10.849 -10.470 15.143 1.00 0.00 O ATOM 0 H GLU A 125 -9.273 -6.242 11.063 1.00 0.00 H new ATOM 0 HA GLU A 125 -10.549 -5.906 13.548 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -10.893 -7.977 12.515 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -9.194 -8.210 12.156 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -8.660 -8.785 14.413 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -10.110 -8.035 15.049 1.00 0.00 H new ATOM 1914 N LYS A 126 -7.295 -6.041 13.683 1.00 0.00 N ATOM 1915 CA LYS A 126 -6.134 -5.847 14.587 1.00 0.00 C ATOM 1916 C LYS A 126 -6.002 -4.353 14.873 1.00 0.00 C ATOM 1917 O LYS A 126 -5.500 -3.946 15.901 1.00 0.00 O ATOM 1918 CB LYS A 126 -4.861 -6.359 13.908 1.00 0.00 C ATOM 1919 CG LYS A 126 -5.060 -7.815 13.485 1.00 0.00 C ATOM 1920 CD LYS A 126 -3.697 -8.507 13.384 1.00 0.00 C ATOM 1921 CE LYS A 126 -3.879 -9.924 12.833 1.00 0.00 C ATOM 1922 NZ LYS A 126 -5.163 -10.493 13.331 1.00 0.00 N ATOM 0 H LYS A 126 -7.071 -6.048 12.688 1.00 0.00 H new ATOM 0 HA LYS A 126 -6.280 -6.398 15.516 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -4.628 -5.745 13.038 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -4.015 -6.280 14.590 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -5.690 -8.332 14.208 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -5.575 -7.859 12.525 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -3.035 -7.935 12.733 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -3.224 -8.546 14.365 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -3.877 -9.904 11.743 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -3.046 -10.555 13.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -5.171 -11.521 13.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -5.259 -10.296 14.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -5.957 -10.059 12.818 1.00 0.00 H new ATOM 1936 N LEU A 127 -6.467 -3.531 13.968 1.00 0.00 N ATOM 1937 CA LEU A 127 -6.387 -2.061 14.186 1.00 0.00 C ATOM 1938 C LEU A 127 -7.371 -1.678 15.295 1.00 0.00 C ATOM 1939 O LEU A 127 -7.207 -0.677 15.963 1.00 0.00 O ATOM 1940 CB LEU A 127 -6.745 -1.320 12.888 1.00 0.00 C ATOM 1941 CG LEU A 127 -6.537 0.188 13.075 1.00 0.00 C ATOM 1942 CD1 LEU A 127 -5.053 0.492 13.314 1.00 0.00 C ATOM 1943 CD2 LEU A 127 -7.007 0.924 11.819 1.00 0.00 C ATOM 0 H LEU A 127 -6.898 -3.817 13.089 1.00 0.00 H new ATOM 0 HA LEU A 127 -5.374 -1.783 14.477 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -6.125 -1.683 12.069 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -7.781 -1.522 12.617 1.00 0.00 H new ATOM 0 HG LEU A 127 -7.113 0.521 13.938 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -4.918 1.566 13.445 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -4.715 -0.028 14.210 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -4.470 0.155 12.457 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -6.860 1.996 11.949 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -6.431 0.581 10.959 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -8.065 0.720 11.652 1.00 0.00 H new ATOM 1955 N GLY A 128 -8.387 -2.478 15.503 1.00 0.00 N ATOM 1956 CA GLY A 128 -9.371 -2.170 16.579 1.00 0.00 C ATOM 1957 C GLY A 128 -10.569 -1.416 15.998 1.00 0.00 C ATOM 1958 O GLY A 128 -11.267 -0.713 16.702 1.00 0.00 O ATOM 0 H GLY A 128 -8.575 -3.329 14.974 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -9.707 -3.094 17.050 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -8.896 -1.570 17.356 1.00 0.00 H new ATOM 1962 N MET A 129 -10.815 -1.558 14.724 1.00 0.00 N ATOM 1963 CA MET A 129 -11.971 -0.851 14.101 1.00 0.00 C ATOM 1964 C MET A 129 -13.159 -1.809 13.998 1.00 0.00 C ATOM 1965 O MET A 129 -13.090 -2.722 13.191 1.00 0.00 O ATOM 1966 CB MET A 129 -11.580 -0.373 12.704 1.00 0.00 C ATOM 1967 CG MET A 129 -11.066 1.067 12.777 1.00 0.00 C ATOM 1968 SD MET A 129 -12.439 2.183 13.159 1.00 0.00 S ATOM 1969 CE MET A 129 -11.719 2.931 14.641 1.00 0.00 C ATOM 1970 OXT MET A 129 -14.118 -1.614 14.727 1.00 0.00 O ATOM 0 H MET A 129 -10.265 -2.134 14.087 1.00 0.00 H new ATOM 0 HA MET A 129 -12.248 0.006 14.715 1.00 0.00 H new ATOM 0 HB2 MET A 129 -10.810 -1.024 12.289 1.00 0.00 H new ATOM 0 HB3 MET A 129 -12.439 -0.429 12.036 1.00 0.00 H new ATOM 0 HG2 MET A 129 -10.293 1.150 13.541 1.00 0.00 H new ATOM 0 HG3 MET A 129 -10.608 1.349 11.829 1.00 0.00 H new ATOM 0 HE1 MET A 129 -12.412 3.666 15.051 1.00 0.00 H new ATOM 0 HE2 MET A 129 -11.530 2.157 15.384 1.00 0.00 H new ATOM 0 HE3 MET A 129 -10.781 3.422 14.382 1.00 0.00 H new TER 1980 MET A 129