USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 763 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 19 ASN : amide:sc= -0.406 K(o=0.7,f=0.045) USER MOD Set 1.2: A 56 SER OG : rot 75:sc= 1.11 USER MOD Set 2.1: A 14 SER OG : rot -45:sc= 0.909 USER MOD Set 2.2: A 32 SER OG : rot 180:sc= 0.778 USER MOD Set 3.1: A 1 SER OG : rot 180:sc= 0.0229 USER MOD Set 3.2: A 2 SER OG : rot 172:sc= 0.138 USER MOD Set 3.3: A 4 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 1 SER N :NH3+ -148:sc= 0.0393 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.161 K(o=-0.16,f=-0.77) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 160:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 145:sc= 0.179 (180deg=-0.0407) USER MOD Single : A 20 THR OG1 : rot -20:sc= -1.34 USER MOD Single : A 23 ASN : amide:sc= -0.799 K(o=-0.8,f=-3.9!) USER MOD Single : A 24 SER OG : rot 42:sc= -0.623 USER MOD Single : A 25 MET CE :methyl 157:sc= -0.18 (180deg=-0.839) USER MOD Single : A 27 MET CE :methyl 162:sc= -0.145 (180deg=-0.621) USER MOD Single : A 28 THR OG1 : rot -170:sc= -0.0774 USER MOD Single : A 29 LYS NZ :NH3+ -164:sc=-0.00794 (180deg=-0.191) USER MOD Single : A 36 LYS NZ :NH3+ 170:sc= 1.8 (180deg=1.64) USER MOD Single : A 37 THR OG1 : rot -6:sc= 0.216 USER MOD Single : A 40 TYR OH : rot 180:sc= -2! USER MOD Single : A 41 ASN : amide:sc= -0.0208 X(o=-0.021,f=-0.012) USER MOD Single : A 43 SER OG : rot 180:sc= 0.0435 USER MOD Single : A 45 ASN : amide:sc= -0.808! K(o=-0.81!,f=-2.5) USER MOD Single : A 47 ASN : amide:sc= -0.0127 X(o=-0.013,f=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0.0987 USER MOD Single : A 63 HIS : no HD1:sc= -1.14 X(o=-1.1,f=-1) USER MOD Single : A 65 TYR OH : rot 43:sc= 0.84 USER MOD Single : A 68 LYS NZ :NH3+ -167:sc= -0.0316 (180deg=-0.267) USER MOD Single : A 74 ASN : amide:sc= -0.151 K(o=-0.15,f=-0.74) USER MOD Single : A 76 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0964) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -51:sc= 1.26 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 91 HIS : no HE2:sc= -0.532 K(o=-0.53,f=-6.5!) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 93 HIS : no HD1:sc= -0.157 X(o=-0.16,f=-0.0075) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=-0.0061) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -12.391 14.442 -21.789 1.00 0.00 N ATOM 2 CA SER A 1 -12.923 14.893 -20.486 1.00 0.00 C ATOM 3 C SER A 1 -12.121 14.300 -19.329 1.00 0.00 C ATOM 4 O SER A 1 -11.678 15.023 -18.436 1.00 0.00 O ATOM 5 CB SER A 1 -14.403 14.510 -20.364 1.00 0.00 C ATOM 6 OG SER A 1 -14.606 13.133 -20.649 1.00 0.00 O ATOM 0 H1 SER A 1 -12.530 15.190 -22.498 1.00 0.00 H new ATOM 0 H2 SER A 1 -11.376 14.237 -21.697 1.00 0.00 H new ATOM 0 H3 SER A 1 -12.892 13.582 -22.090 1.00 0.00 H new ATOM 0 HA SER A 1 -12.831 15.978 -20.435 1.00 0.00 H new ATOM 0 HB2 SER A 1 -14.756 14.731 -19.357 1.00 0.00 H new ATOM 0 HB3 SER A 1 -14.995 15.116 -21.049 1.00 0.00 H new ATOM 0 HG SER A 1 -15.558 12.918 -20.562 1.00 0.00 H new ATOM 14 N SER A 2 -11.919 12.989 -19.349 1.00 0.00 N ATOM 15 CA SER A 2 -11.217 12.318 -18.264 1.00 0.00 C ATOM 16 C SER A 2 -10.434 11.110 -18.770 1.00 0.00 C ATOM 17 O SER A 2 -9.390 10.761 -18.212 1.00 0.00 O ATOM 18 CB SER A 2 -12.225 11.872 -17.203 1.00 0.00 C ATOM 19 OG SER A 2 -13.198 11.004 -17.767 1.00 0.00 O ATOM 0 H SER A 2 -12.229 12.373 -20.100 1.00 0.00 H new ATOM 0 HA SER A 2 -10.507 13.022 -17.830 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.705 11.364 -16.391 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.716 12.744 -16.771 1.00 0.00 H new ATOM 0 HG SER A 2 -13.756 10.630 -17.053 1.00 0.00 H new ATOM 25 N GLN A 3 -10.951 10.482 -19.832 1.00 0.00 N ATOM 26 CA GLN A 3 -10.407 9.231 -20.363 1.00 0.00 C ATOM 27 C GLN A 3 -10.597 8.096 -19.360 1.00 0.00 C ATOM 28 O GLN A 3 -9.994 7.029 -19.479 1.00 0.00 O ATOM 29 CB GLN A 3 -8.930 9.384 -20.740 1.00 0.00 C ATOM 30 CG GLN A 3 -8.697 10.372 -21.869 1.00 0.00 C ATOM 31 CD GLN A 3 -9.361 9.940 -23.160 1.00 0.00 C ATOM 32 OE1 GLN A 3 -9.497 8.749 -23.435 1.00 0.00 O ATOM 33 NE2 GLN A 3 -9.801 10.901 -23.951 1.00 0.00 N ATOM 0 H GLN A 3 -11.760 10.829 -20.347 1.00 0.00 H new ATOM 0 HA GLN A 3 -10.956 8.983 -21.271 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -8.370 9.707 -19.863 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -8.534 8.411 -21.031 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -9.079 11.350 -21.577 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -7.626 10.484 -22.035 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -9.669 11.878 -23.689 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -10.273 10.667 -24.825 1.00 0.00 H new ATOM 42 N THR A 4 -11.462 8.333 -18.384 1.00 0.00 N ATOM 43 CA THR A 4 -11.792 7.332 -17.393 1.00 0.00 C ATOM 44 C THR A 4 -12.921 6.449 -17.914 1.00 0.00 C ATOM 45 O THR A 4 -14.102 6.770 -17.761 1.00 0.00 O ATOM 46 CB THR A 4 -12.203 7.995 -16.064 1.00 0.00 C ATOM 47 OG1 THR A 4 -11.261 9.027 -15.736 1.00 0.00 O ATOM 48 CG2 THR A 4 -12.249 6.979 -14.937 1.00 0.00 C ATOM 0 H THR A 4 -11.949 9.221 -18.261 1.00 0.00 H new ATOM 0 HA THR A 4 -10.911 6.718 -17.207 1.00 0.00 H new ATOM 0 HB THR A 4 -13.200 8.420 -16.185 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.521 9.451 -14.892 1.00 0.00 H new ATOM 0 HG21 THR A 4 -12.542 7.475 -14.012 1.00 0.00 H new ATOM 0 HG22 THR A 4 -12.974 6.202 -15.177 1.00 0.00 H new ATOM 0 HG23 THR A 4 -11.264 6.530 -14.812 1.00 0.00 H new ATOM 56 N LEU A 5 -12.543 5.370 -18.588 1.00 0.00 N ATOM 57 CA LEU A 5 -13.506 4.445 -19.173 1.00 0.00 C ATOM 58 C LEU A 5 -14.275 3.719 -18.078 1.00 0.00 C ATOM 59 O LEU A 5 -15.508 3.754 -18.039 1.00 0.00 O ATOM 60 CB LEU A 5 -12.783 3.440 -20.074 1.00 0.00 C ATOM 61 CG LEU A 5 -11.998 4.064 -21.231 1.00 0.00 C ATOM 62 CD1 LEU A 5 -11.211 3.002 -21.978 1.00 0.00 C ATOM 63 CD2 LEU A 5 -12.936 4.799 -22.179 1.00 0.00 C ATOM 0 H LEU A 5 -11.568 5.113 -18.744 1.00 0.00 H new ATOM 0 HA LEU A 5 -14.217 5.010 -19.776 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -12.097 2.853 -19.463 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -13.518 2.747 -20.484 1.00 0.00 H new ATOM 0 HG LEU A 5 -11.293 4.785 -20.817 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -10.660 3.466 -22.796 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -10.510 2.521 -21.295 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -11.897 2.256 -22.379 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -12.360 5.236 -22.995 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -13.666 4.098 -22.585 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -13.455 5.590 -21.637 1.00 0.00 H new ATOM 75 N ASP A 6 -13.540 3.062 -17.196 1.00 0.00 N ATOM 76 CA ASP A 6 -14.128 2.430 -16.030 1.00 0.00 C ATOM 77 C ASP A 6 -14.264 3.453 -14.911 1.00 0.00 C ATOM 78 O ASP A 6 -13.289 4.065 -14.490 1.00 0.00 O ATOM 79 CB ASP A 6 -13.301 1.211 -15.586 1.00 0.00 C ATOM 80 CG ASP A 6 -11.807 1.478 -15.514 1.00 0.00 C ATOM 81 OD1 ASP A 6 -11.211 1.853 -16.551 1.00 0.00 O ATOM 82 OD2 ASP A 6 -11.213 1.267 -14.437 1.00 0.00 O ATOM 0 H ASP A 6 -12.528 2.953 -17.268 1.00 0.00 H new ATOM 0 HA ASP A 6 -15.122 2.063 -16.286 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -13.650 0.884 -14.607 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -13.481 0.389 -16.279 1.00 0.00 H new ATOM 87 N ARG A 7 -15.491 3.631 -14.443 1.00 0.00 N ATOM 88 CA ARG A 7 -15.831 4.711 -13.519 1.00 0.00 C ATOM 89 C ARG A 7 -15.697 4.243 -12.077 1.00 0.00 C ATOM 90 O ARG A 7 -15.878 5.012 -11.127 1.00 0.00 O ATOM 91 CB ARG A 7 -17.247 5.192 -13.829 1.00 0.00 C ATOM 92 CG ARG A 7 -17.383 5.631 -15.278 1.00 0.00 C ATOM 93 CD ARG A 7 -18.763 5.358 -15.843 1.00 0.00 C ATOM 94 NE ARG A 7 -18.680 4.966 -17.251 1.00 0.00 N ATOM 95 CZ ARG A 7 -19.732 4.740 -18.036 1.00 0.00 C ATOM 96 NH1 ARG A 7 -20.961 4.990 -17.601 1.00 0.00 N ATOM 97 NH2 ARG A 7 -19.548 4.296 -19.274 1.00 0.00 N ATOM 0 H ARG A 7 -16.280 3.034 -14.691 1.00 0.00 H new ATOM 0 HA ARG A 7 -15.140 5.544 -13.647 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -17.957 4.392 -13.622 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -17.502 6.023 -13.171 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -17.168 6.697 -15.352 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -16.638 5.113 -15.882 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -19.246 4.568 -15.269 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -19.384 6.249 -15.745 1.00 0.00 H new ATOM 0 HE ARG A 7 -17.752 4.858 -17.659 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -21.104 5.357 -16.660 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -21.762 4.815 -18.207 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -18.603 4.129 -19.621 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -20.351 4.122 -19.878 1.00 0.00 H new ATOM 111 N ASP A 8 -15.388 2.968 -11.937 1.00 0.00 N ATOM 112 CA ASP A 8 -14.979 2.401 -10.664 1.00 0.00 C ATOM 113 C ASP A 8 -13.658 1.663 -10.855 1.00 0.00 C ATOM 114 O ASP A 8 -13.608 0.434 -10.921 1.00 0.00 O ATOM 115 CB ASP A 8 -16.065 1.485 -10.069 1.00 0.00 C ATOM 116 CG ASP A 8 -16.728 0.573 -11.086 1.00 0.00 C ATOM 117 OD1 ASP A 8 -17.725 0.998 -11.709 1.00 0.00 O ATOM 118 OD2 ASP A 8 -16.284 -0.580 -11.245 1.00 0.00 O ATOM 0 H ASP A 8 -15.413 2.295 -12.703 1.00 0.00 H new ATOM 0 HA ASP A 8 -14.838 3.207 -9.943 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -15.620 0.874 -9.284 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -16.829 2.103 -9.598 1.00 0.00 H new ATOM 123 N PRO A 9 -12.562 2.430 -10.976 1.00 0.00 N ATOM 124 CA PRO A 9 -11.255 1.916 -11.364 1.00 0.00 C ATOM 125 C PRO A 9 -10.457 1.345 -10.200 1.00 0.00 C ATOM 126 O PRO A 9 -10.610 1.763 -9.049 1.00 0.00 O ATOM 127 CB PRO A 9 -10.535 3.150 -11.932 1.00 0.00 C ATOM 128 CG PRO A 9 -11.447 4.320 -11.708 1.00 0.00 C ATOM 129 CD PRO A 9 -12.501 3.874 -10.738 1.00 0.00 C ATOM 0 HA PRO A 9 -11.356 1.088 -12.066 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.578 3.304 -11.433 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -10.324 3.021 -12.994 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.893 5.171 -11.311 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.898 4.643 -12.646 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -12.228 4.104 -9.708 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -13.459 4.357 -10.929 1.00 0.00 H new ATOM 137 N THR A 10 -9.600 0.388 -10.512 1.00 0.00 N ATOM 138 CA THR A 10 -8.684 -0.169 -9.536 1.00 0.00 C ATOM 139 C THR A 10 -7.336 0.541 -9.634 1.00 0.00 C ATOM 140 O THR A 10 -6.610 0.379 -10.616 1.00 0.00 O ATOM 141 CB THR A 10 -8.490 -1.681 -9.754 1.00 0.00 C ATOM 142 OG1 THR A 10 -9.762 -2.342 -9.770 1.00 0.00 O ATOM 143 CG2 THR A 10 -7.621 -2.283 -8.661 1.00 0.00 C ATOM 0 H THR A 10 -9.521 -0.021 -11.443 1.00 0.00 H new ATOM 0 HA THR A 10 -9.110 -0.019 -8.544 1.00 0.00 H new ATOM 0 HB THR A 10 -7.991 -1.822 -10.713 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.630 -3.303 -9.911 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.500 -3.352 -8.839 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.643 -1.801 -8.667 1.00 0.00 H new ATOM 0 HG23 THR A 10 -8.096 -2.128 -7.692 1.00 0.00 H new ATOM 151 N LEU A 11 -7.014 1.334 -8.627 1.00 0.00 N ATOM 152 CA LEU A 11 -5.795 2.123 -8.646 1.00 0.00 C ATOM 153 C LEU A 11 -4.631 1.321 -8.093 1.00 0.00 C ATOM 154 O LEU A 11 -4.769 0.602 -7.101 1.00 0.00 O ATOM 155 CB LEU A 11 -5.976 3.414 -7.847 1.00 0.00 C ATOM 156 CG LEU A 11 -7.068 4.346 -8.371 1.00 0.00 C ATOM 157 CD1 LEU A 11 -7.177 5.587 -7.502 1.00 0.00 C ATOM 158 CD2 LEU A 11 -6.795 4.733 -9.818 1.00 0.00 C ATOM 0 H LEU A 11 -7.580 1.449 -7.786 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.575 2.384 -9.681 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.204 3.155 -6.813 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.030 3.955 -7.839 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.018 3.813 -8.330 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.960 6.237 -7.892 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.423 5.296 -6.481 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.226 6.120 -7.508 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.584 5.397 -10.172 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.834 5.244 -9.883 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.771 3.836 -10.436 1.00 0.00 H new ATOM 170 N THR A 12 -3.494 1.439 -8.749 1.00 0.00 N ATOM 171 CA THR A 12 -2.300 0.727 -8.338 1.00 0.00 C ATOM 172 C THR A 12 -1.349 1.675 -7.609 1.00 0.00 C ATOM 173 O THR A 12 -0.578 2.405 -8.231 1.00 0.00 O ATOM 174 CB THR A 12 -1.594 0.098 -9.552 1.00 0.00 C ATOM 175 OG1 THR A 12 -2.563 -0.573 -10.366 1.00 0.00 O ATOM 176 CG2 THR A 12 -0.529 -0.895 -9.115 1.00 0.00 C ATOM 0 H THR A 12 -3.371 2.025 -9.575 1.00 0.00 H new ATOM 0 HA THR A 12 -2.594 -0.074 -7.660 1.00 0.00 H new ATOM 0 HB THR A 12 -1.109 0.893 -10.119 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.204 -0.693 -11.270 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.048 -1.323 -9.994 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.217 -0.384 -8.506 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.991 -1.691 -8.531 1.00 0.00 H new ATOM 184 N LEU A 13 -1.432 1.668 -6.288 1.00 0.00 N ATOM 185 CA LEU A 13 -0.652 2.578 -5.463 1.00 0.00 C ATOM 186 C LEU A 13 0.545 1.851 -4.866 1.00 0.00 C ATOM 187 O LEU A 13 0.385 0.871 -4.142 1.00 0.00 O ATOM 188 CB LEU A 13 -1.523 3.150 -4.342 1.00 0.00 C ATOM 189 CG LEU A 13 -2.857 3.755 -4.794 1.00 0.00 C ATOM 190 CD1 LEU A 13 -3.616 4.318 -3.604 1.00 0.00 C ATOM 191 CD2 LEU A 13 -2.635 4.834 -5.842 1.00 0.00 C ATOM 0 H LEU A 13 -2.036 1.038 -5.761 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.294 3.396 -6.088 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.728 2.357 -3.622 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.954 3.917 -3.817 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.455 2.962 -5.244 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.560 4.743 -3.943 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.814 3.520 -2.888 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.019 5.095 -3.126 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.596 5.248 -6.147 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.015 5.626 -5.423 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.135 4.402 -6.709 1.00 0.00 H new ATOM 203 N SER A 14 1.739 2.327 -5.178 1.00 0.00 N ATOM 204 CA SER A 14 2.961 1.706 -4.688 1.00 0.00 C ATOM 205 C SER A 14 3.052 1.780 -3.166 1.00 0.00 C ATOM 206 O SER A 14 2.673 2.784 -2.557 1.00 0.00 O ATOM 207 CB SER A 14 4.176 2.377 -5.323 1.00 0.00 C ATOM 208 OG SER A 14 4.117 2.288 -6.736 1.00 0.00 O ATOM 0 H SER A 14 1.890 3.144 -5.770 1.00 0.00 H new ATOM 0 HA SER A 14 2.942 0.653 -4.969 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.219 3.424 -5.021 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.089 1.904 -4.962 1.00 0.00 H new ATOM 0 HG SER A 14 3.864 1.378 -6.996 1.00 0.00 H new ATOM 214 N LEU A 15 3.541 0.705 -2.564 1.00 0.00 N ATOM 215 CA LEU A 15 3.720 0.642 -1.124 1.00 0.00 C ATOM 216 C LEU A 15 5.050 1.280 -0.741 1.00 0.00 C ATOM 217 O LEU A 15 6.103 0.887 -1.244 1.00 0.00 O ATOM 218 CB LEU A 15 3.670 -0.816 -0.655 1.00 0.00 C ATOM 219 CG LEU A 15 3.692 -1.029 0.858 1.00 0.00 C ATOM 220 CD1 LEU A 15 2.450 -0.432 1.500 1.00 0.00 C ATOM 221 CD2 LEU A 15 3.800 -2.511 1.182 1.00 0.00 C ATOM 0 H LEU A 15 3.823 -0.142 -3.058 1.00 0.00 H new ATOM 0 HA LEU A 15 2.915 1.192 -0.636 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.766 -1.276 -1.055 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.517 -1.347 -1.090 1.00 0.00 H new ATOM 0 HG LEU A 15 4.566 -0.521 1.266 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.484 -0.594 2.577 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.413 0.638 1.295 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.562 -0.912 1.089 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.815 -2.647 2.263 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.944 -3.039 0.761 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.719 -2.911 0.754 1.00 0.00 H new ATOM 233 N ILE A 16 4.999 2.273 0.132 1.00 0.00 N ATOM 234 CA ILE A 16 6.198 2.992 0.534 1.00 0.00 C ATOM 235 C ILE A 16 6.582 2.680 1.977 1.00 0.00 C ATOM 236 O ILE A 16 5.718 2.443 2.830 1.00 0.00 O ATOM 237 CB ILE A 16 6.036 4.520 0.371 1.00 0.00 C ATOM 238 CG1 ILE A 16 4.822 5.022 1.160 1.00 0.00 C ATOM 239 CG2 ILE A 16 5.910 4.881 -1.103 1.00 0.00 C ATOM 240 CD1 ILE A 16 4.657 6.527 1.138 1.00 0.00 C ATOM 0 H ILE A 16 4.141 2.600 0.576 1.00 0.00 H new ATOM 0 HA ILE A 16 6.994 2.651 -0.129 1.00 0.00 H new ATOM 0 HB ILE A 16 6.924 5.009 0.772 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.921 4.561 0.754 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.911 4.691 2.195 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.796 5.960 -1.205 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.805 4.559 -1.634 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.038 4.383 -1.526 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.777 6.805 1.718 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.540 6.996 1.572 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.535 6.865 0.109 1.00 0.00 H new ATOM 252 N ALA A 17 7.884 2.663 2.232 1.00 0.00 N ATOM 253 CA ALA A 17 8.406 2.458 3.573 1.00 0.00 C ATOM 254 C ALA A 17 8.328 3.753 4.369 1.00 0.00 C ATOM 255 O ALA A 17 9.220 4.603 4.291 1.00 0.00 O ATOM 256 CB ALA A 17 9.837 1.947 3.510 1.00 0.00 C ATOM 0 H ALA A 17 8.602 2.790 1.519 1.00 0.00 H new ATOM 0 HA ALA A 17 7.798 1.707 4.078 1.00 0.00 H new ATOM 0 HB1 ALA A 17 10.215 1.798 4.521 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.862 1.000 2.970 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.461 2.676 2.993 1.00 0.00 H new ATOM 262 N LYS A 18 7.248 3.909 5.117 1.00 0.00 N ATOM 263 CA LYS A 18 7.016 5.124 5.872 1.00 0.00 C ATOM 264 C LYS A 18 7.478 4.968 7.312 1.00 0.00 C ATOM 265 O LYS A 18 7.164 3.970 7.969 1.00 0.00 O ATOM 266 CB LYS A 18 5.534 5.502 5.839 1.00 0.00 C ATOM 267 CG LYS A 18 5.178 6.623 6.800 1.00 0.00 C ATOM 268 CD LYS A 18 3.725 7.038 6.670 1.00 0.00 C ATOM 269 CE LYS A 18 3.343 8.040 7.744 1.00 0.00 C ATOM 270 NZ LYS A 18 3.290 7.420 9.097 1.00 0.00 N ATOM 0 H LYS A 18 6.517 3.205 5.216 1.00 0.00 H new ATOM 0 HA LYS A 18 7.596 5.921 5.407 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.265 5.802 4.826 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.937 4.623 6.080 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.374 6.300 7.823 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.820 7.483 6.609 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.555 7.474 5.685 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.085 6.159 6.745 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.064 8.858 7.749 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.371 8.473 7.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.614 8.108 9.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.313 7.136 9.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.906 6.583 9.120 1.00 0.00 H new ATOM 284 N ASN A 19 8.240 5.953 7.783 1.00 0.00 N ATOM 285 CA ASN A 19 8.670 6.008 9.177 1.00 0.00 C ATOM 286 C ASN A 19 9.462 4.749 9.528 1.00 0.00 C ATOM 287 O ASN A 19 9.346 4.195 10.619 1.00 0.00 O ATOM 288 CB ASN A 19 7.445 6.171 10.088 1.00 0.00 C ATOM 289 CG ASN A 19 7.805 6.468 11.528 1.00 0.00 C ATOM 290 OD1 ASN A 19 8.842 7.062 11.817 1.00 0.00 O ATOM 291 ND2 ASN A 19 6.937 6.072 12.441 1.00 0.00 N ATOM 0 H ASN A 19 8.574 6.730 7.213 1.00 0.00 H new ATOM 0 HA ASN A 19 9.323 6.867 9.327 1.00 0.00 H new ATOM 0 HB2 ASN A 19 6.820 6.977 9.704 1.00 0.00 H new ATOM 0 HB3 ASN A 19 6.849 5.259 10.050 1.00 0.00 H new ATOM 0 HD21 ASN A 19 7.115 6.256 13.428 1.00 0.00 H new ATOM 0 HD22 ASN A 19 6.088 5.582 12.159 1.00 0.00 H new ATOM 298 N THR A 20 10.277 4.315 8.581 1.00 0.00 N ATOM 299 CA THR A 20 11.067 3.109 8.736 1.00 0.00 C ATOM 300 C THR A 20 12.411 3.426 9.389 1.00 0.00 C ATOM 301 O THR A 20 13.153 4.285 8.908 1.00 0.00 O ATOM 302 CB THR A 20 11.286 2.435 7.367 1.00 0.00 C ATOM 303 OG1 THR A 20 10.017 2.168 6.758 1.00 0.00 O ATOM 304 CG2 THR A 20 12.073 1.137 7.505 1.00 0.00 C ATOM 0 H THR A 20 10.408 4.788 7.687 1.00 0.00 H new ATOM 0 HA THR A 20 10.522 2.422 9.384 1.00 0.00 H new ATOM 0 HB THR A 20 11.864 3.114 6.741 1.00 0.00 H new ATOM 0 HG1 THR A 20 9.318 2.167 7.445 1.00 0.00 H new ATOM 0 HG21 THR A 20 12.209 0.688 6.521 1.00 0.00 H new ATOM 0 HG22 THR A 20 13.047 1.347 7.946 1.00 0.00 H new ATOM 0 HG23 THR A 20 11.526 0.446 8.146 1.00 0.00 H new ATOM 312 N PRO A 21 12.730 2.750 10.506 1.00 0.00 N ATOM 313 CA PRO A 21 13.979 2.969 11.243 1.00 0.00 C ATOM 314 C PRO A 21 15.211 2.520 10.463 1.00 0.00 C ATOM 315 O PRO A 21 15.104 1.954 9.372 1.00 0.00 O ATOM 316 CB PRO A 21 13.822 2.113 12.507 1.00 0.00 C ATOM 317 CG PRO A 21 12.378 1.752 12.569 1.00 0.00 C ATOM 318 CD PRO A 21 11.896 1.728 11.150 1.00 0.00 C ATOM 0 HA PRO A 21 14.134 4.029 11.444 1.00 0.00 H new ATOM 0 HB2 PRO A 21 14.447 1.222 12.457 1.00 0.00 H new ATOM 0 HB3 PRO A 21 14.126 2.666 13.395 1.00 0.00 H new ATOM 0 HG2 PRO A 21 12.239 0.781 13.045 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.819 2.479 13.158 1.00 0.00 H new ATOM 0 HD2 PRO A 21 12.032 0.748 10.693 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.835 1.968 11.079 1.00 0.00 H new ATOM 326 N ALA A 22 16.382 2.768 11.032 1.00 0.00 N ATOM 327 CA ALA A 22 17.635 2.378 10.404 1.00 0.00 C ATOM 328 C ALA A 22 18.099 1.017 10.915 1.00 0.00 C ATOM 329 O ALA A 22 19.070 0.452 10.419 1.00 0.00 O ATOM 330 CB ALA A 22 18.702 3.434 10.653 1.00 0.00 C ATOM 0 H ALA A 22 16.490 3.239 11.930 1.00 0.00 H new ATOM 0 HA ALA A 22 17.469 2.297 9.330 1.00 0.00 H new ATOM 0 HB1 ALA A 22 19.634 3.129 10.177 1.00 0.00 H new ATOM 0 HB2 ALA A 22 18.376 4.386 10.235 1.00 0.00 H new ATOM 0 HB3 ALA A 22 18.861 3.544 11.726 1.00 0.00 H new ATOM 336 N ASN A 23 17.392 0.495 11.909 1.00 0.00 N ATOM 337 CA ASN A 23 17.715 -0.811 12.475 1.00 0.00 C ATOM 338 C ASN A 23 16.998 -1.923 11.725 1.00 0.00 C ATOM 339 O ASN A 23 17.449 -3.068 11.713 1.00 0.00 O ATOM 340 CB ASN A 23 17.350 -0.859 13.962 1.00 0.00 C ATOM 341 CG ASN A 23 18.422 -0.245 14.842 1.00 0.00 C ATOM 342 OD1 ASN A 23 19.609 -0.319 14.533 1.00 0.00 O ATOM 343 ND2 ASN A 23 18.013 0.382 15.933 1.00 0.00 N ATOM 0 H ASN A 23 16.591 0.955 12.341 1.00 0.00 H new ATOM 0 HA ASN A 23 18.789 -0.964 12.371 1.00 0.00 H new ATOM 0 HB2 ASN A 23 16.409 -0.332 14.119 1.00 0.00 H new ATOM 0 HB3 ASN A 23 17.189 -1.895 14.260 1.00 0.00 H new ATOM 0 HD21 ASN A 23 18.692 0.825 16.551 1.00 0.00 H new ATOM 0 HD22 ASN A 23 17.018 0.422 16.156 1.00 0.00 H new ATOM 350 N SER A 24 15.898 -1.578 11.076 1.00 0.00 N ATOM 351 CA SER A 24 15.085 -2.558 10.383 1.00 0.00 C ATOM 352 C SER A 24 15.098 -2.308 8.882 1.00 0.00 C ATOM 353 O SER A 24 14.580 -1.298 8.404 1.00 0.00 O ATOM 354 CB SER A 24 13.654 -2.513 10.917 1.00 0.00 C ATOM 355 OG SER A 24 13.154 -1.188 10.899 1.00 0.00 O ATOM 0 H SER A 24 15.548 -0.622 11.016 1.00 0.00 H new ATOM 0 HA SER A 24 15.503 -3.548 10.564 1.00 0.00 H new ATOM 0 HB2 SER A 24 13.015 -3.156 10.313 1.00 0.00 H new ATOM 0 HB3 SER A 24 13.628 -2.903 11.935 1.00 0.00 H new ATOM 0 HG SER A 24 13.414 -0.752 10.061 1.00 0.00 H new ATOM 361 N MET A 25 15.704 -3.223 8.149 1.00 0.00 N ATOM 362 CA MET A 25 15.763 -3.131 6.701 1.00 0.00 C ATOM 363 C MET A 25 14.802 -4.139 6.093 1.00 0.00 C ATOM 364 O MET A 25 14.776 -5.300 6.500 1.00 0.00 O ATOM 365 CB MET A 25 17.186 -3.393 6.205 1.00 0.00 C ATOM 366 CG MET A 25 17.338 -3.267 4.694 1.00 0.00 C ATOM 367 SD MET A 25 18.982 -3.739 4.119 1.00 0.00 S ATOM 368 CE MET A 25 19.013 -5.471 4.581 1.00 0.00 C ATOM 0 H MET A 25 16.166 -4.046 8.536 1.00 0.00 H new ATOM 0 HA MET A 25 15.475 -2.125 6.395 1.00 0.00 H new ATOM 0 HB2 MET A 25 17.866 -2.692 6.690 1.00 0.00 H new ATOM 0 HB3 MET A 25 17.490 -4.394 6.510 1.00 0.00 H new ATOM 0 HG2 MET A 25 16.592 -3.893 4.204 1.00 0.00 H new ATOM 0 HG3 MET A 25 17.135 -2.238 4.397 1.00 0.00 H new ATOM 0 HE1 MET A 25 19.740 -5.999 3.964 1.00 0.00 H new ATOM 0 HE2 MET A 25 19.293 -5.563 5.630 1.00 0.00 H new ATOM 0 HE3 MET A 25 18.025 -5.906 4.430 1.00 0.00 H new ATOM 378 N ILE A 26 14.009 -3.699 5.136 1.00 0.00 N ATOM 379 CA ILE A 26 12.995 -4.557 4.546 1.00 0.00 C ATOM 380 C ILE A 26 13.608 -5.468 3.489 1.00 0.00 C ATOM 381 O ILE A 26 14.172 -4.996 2.501 1.00 0.00 O ATOM 382 CB ILE A 26 11.854 -3.732 3.919 1.00 0.00 C ATOM 383 CG1 ILE A 26 11.418 -2.622 4.878 1.00 0.00 C ATOM 384 CG2 ILE A 26 10.675 -4.636 3.586 1.00 0.00 C ATOM 385 CD1 ILE A 26 10.336 -1.721 4.318 1.00 0.00 C ATOM 0 H ILE A 26 14.045 -2.756 4.750 1.00 0.00 H new ATOM 0 HA ILE A 26 12.580 -5.167 5.348 1.00 0.00 H new ATOM 0 HB ILE A 26 12.215 -3.275 2.997 1.00 0.00 H new ATOM 0 HG12 ILE A 26 11.059 -3.074 5.803 1.00 0.00 H new ATOM 0 HG13 ILE A 26 12.286 -2.015 5.135 1.00 0.00 H new ATOM 0 HG21 ILE A 26 9.875 -4.042 3.144 1.00 0.00 H new ATOM 0 HG22 ILE A 26 10.992 -5.402 2.878 1.00 0.00 H new ATOM 0 HG23 ILE A 26 10.313 -5.112 4.497 1.00 0.00 H new ATOM 0 HD11 ILE A 26 10.079 -0.959 5.054 1.00 0.00 H new ATOM 0 HD12 ILE A 26 10.697 -1.240 3.409 1.00 0.00 H new ATOM 0 HD13 ILE A 26 9.452 -2.315 4.087 1.00 0.00 H new ATOM 397 N MET A 27 13.513 -6.770 3.718 1.00 0.00 N ATOM 398 CA MET A 27 14.025 -7.755 2.775 1.00 0.00 C ATOM 399 C MET A 27 13.109 -7.845 1.564 1.00 0.00 C ATOM 400 O MET A 27 13.554 -7.736 0.421 1.00 0.00 O ATOM 401 CB MET A 27 14.136 -9.127 3.445 1.00 0.00 C ATOM 402 CG MET A 27 15.094 -9.157 4.623 1.00 0.00 C ATOM 403 SD MET A 27 15.058 -10.730 5.505 1.00 0.00 S ATOM 404 CE MET A 27 15.515 -11.860 4.193 1.00 0.00 C ATOM 0 H MET A 27 13.084 -7.170 4.552 1.00 0.00 H new ATOM 0 HA MET A 27 15.017 -7.441 2.450 1.00 0.00 H new ATOM 0 HB2 MET A 27 13.147 -9.436 3.784 1.00 0.00 H new ATOM 0 HB3 MET A 27 14.462 -9.857 2.705 1.00 0.00 H new ATOM 0 HG2 MET A 27 16.107 -8.967 4.268 1.00 0.00 H new ATOM 0 HG3 MET A 27 14.841 -8.352 5.313 1.00 0.00 H new ATOM 0 HE1 MET A 27 15.847 -12.804 4.625 1.00 0.00 H new ATOM 0 HE2 MET A 27 14.653 -12.038 3.550 1.00 0.00 H new ATOM 0 HE3 MET A 27 16.324 -11.426 3.605 1.00 0.00 H new ATOM 414 N THR A 28 11.827 -8.047 1.831 1.00 0.00 N ATOM 415 CA THR A 28 10.825 -8.104 0.782 1.00 0.00 C ATOM 416 C THR A 28 10.614 -6.724 0.174 1.00 0.00 C ATOM 417 O THR A 28 10.078 -5.830 0.826 1.00 0.00 O ATOM 418 CB THR A 28 9.480 -8.608 1.337 1.00 0.00 C ATOM 419 OG1 THR A 28 9.682 -9.790 2.127 1.00 0.00 O ATOM 420 CG2 THR A 28 8.508 -8.911 0.207 1.00 0.00 C ATOM 0 H THR A 28 11.456 -8.175 2.773 1.00 0.00 H new ATOM 0 HA THR A 28 11.184 -8.794 0.019 1.00 0.00 H new ATOM 0 HB THR A 28 9.056 -7.822 1.962 1.00 0.00 H new ATOM 0 HG1 THR A 28 8.814 -10.191 2.343 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.565 -9.265 0.623 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.331 -8.005 -0.373 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.931 -9.680 -0.440 1.00 0.00 H new ATOM 428 N LYS A 29 11.047 -6.545 -1.066 1.00 0.00 N ATOM 429 CA LYS A 29 10.857 -5.277 -1.751 1.00 0.00 C ATOM 430 C LYS A 29 9.376 -4.984 -1.935 1.00 0.00 C ATOM 431 O LYS A 29 8.598 -5.856 -2.339 1.00 0.00 O ATOM 432 CB LYS A 29 11.589 -5.257 -3.091 1.00 0.00 C ATOM 433 CG LYS A 29 13.064 -4.916 -2.960 1.00 0.00 C ATOM 434 CD LYS A 29 13.759 -4.919 -4.309 1.00 0.00 C ATOM 435 CE LYS A 29 15.159 -4.333 -4.217 1.00 0.00 C ATOM 436 NZ LYS A 29 15.135 -2.870 -3.949 1.00 0.00 N ATOM 0 H LYS A 29 11.529 -7.257 -1.614 1.00 0.00 H new ATOM 0 HA LYS A 29 11.286 -4.491 -1.129 1.00 0.00 H new ATOM 0 HB2 LYS A 29 11.489 -6.232 -3.567 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.111 -4.530 -3.748 1.00 0.00 H new ATOM 0 HG2 LYS A 29 13.172 -3.935 -2.497 1.00 0.00 H new ATOM 0 HG3 LYS A 29 13.547 -5.636 -2.299 1.00 0.00 H new ATOM 0 HD2 LYS A 29 13.815 -5.939 -4.688 1.00 0.00 H new ATOM 0 HD3 LYS A 29 13.170 -4.345 -5.024 1.00 0.00 H new ATOM 0 HE2 LYS A 29 15.712 -4.838 -3.425 1.00 0.00 H new ATOM 0 HE3 LYS A 29 15.693 -4.522 -5.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 16.069 -2.463 -4.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 14.417 -2.419 -4.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 14.903 -2.704 -2.949 1.00 0.00 H new ATOM 450 N LEU A 30 9.004 -3.755 -1.625 1.00 0.00 N ATOM 451 CA LEU A 30 7.609 -3.344 -1.602 1.00 0.00 C ATOM 452 C LEU A 30 7.032 -3.249 -3.011 1.00 0.00 C ATOM 453 O LEU A 30 7.629 -2.639 -3.901 1.00 0.00 O ATOM 454 CB LEU A 30 7.485 -1.995 -0.891 1.00 0.00 C ATOM 455 CG LEU A 30 8.133 -1.931 0.495 1.00 0.00 C ATOM 456 CD1 LEU A 30 8.055 -0.521 1.051 1.00 0.00 C ATOM 457 CD2 LEU A 30 7.464 -2.909 1.446 1.00 0.00 C ATOM 0 H LEU A 30 9.660 -3.012 -1.382 1.00 0.00 H new ATOM 0 HA LEU A 30 7.039 -4.099 -1.060 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.934 -1.227 -1.521 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.428 -1.749 -0.793 1.00 0.00 H new ATOM 0 HG LEU A 30 9.182 -2.210 0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.520 -0.492 2.037 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.578 0.163 0.383 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.011 -0.220 1.133 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.939 -2.848 2.425 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.407 -2.660 1.540 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.565 -3.922 1.057 1.00 0.00 H new ATOM 469 N PRO A 31 5.874 -3.885 -3.233 1.00 0.00 N ATOM 470 CA PRO A 31 5.148 -3.811 -4.494 1.00 0.00 C ATOM 471 C PRO A 31 4.111 -2.687 -4.491 1.00 0.00 C ATOM 472 O PRO A 31 4.076 -1.866 -3.576 1.00 0.00 O ATOM 473 CB PRO A 31 4.462 -5.173 -4.541 1.00 0.00 C ATOM 474 CG PRO A 31 4.170 -5.501 -3.110 1.00 0.00 C ATOM 475 CD PRO A 31 5.182 -4.756 -2.268 1.00 0.00 C ATOM 0 HA PRO A 31 5.791 -3.598 -5.348 1.00 0.00 H new ATOM 0 HB2 PRO A 31 3.548 -5.136 -5.133 1.00 0.00 H new ATOM 0 HB3 PRO A 31 5.106 -5.925 -4.996 1.00 0.00 H new ATOM 0 HG2 PRO A 31 3.155 -5.203 -2.846 1.00 0.00 H new ATOM 0 HG3 PRO A 31 4.242 -6.575 -2.938 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.698 -4.176 -1.482 1.00 0.00 H new ATOM 0 HD3 PRO A 31 5.875 -5.440 -1.779 1.00 0.00 H new ATOM 483 N SER A 32 3.271 -2.650 -5.513 1.00 0.00 N ATOM 484 CA SER A 32 2.180 -1.690 -5.564 1.00 0.00 C ATOM 485 C SER A 32 0.857 -2.393 -5.273 1.00 0.00 C ATOM 486 O SER A 32 0.599 -3.480 -5.791 1.00 0.00 O ATOM 487 CB SER A 32 2.126 -1.015 -6.935 1.00 0.00 C ATOM 488 OG SER A 32 3.369 -0.412 -7.267 1.00 0.00 O ATOM 0 H SER A 32 3.324 -3.274 -6.318 1.00 0.00 H new ATOM 0 HA SER A 32 2.351 -0.924 -4.808 1.00 0.00 H new ATOM 0 HB2 SER A 32 1.863 -1.751 -7.694 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.341 -0.259 -6.939 1.00 0.00 H new ATOM 0 HG SER A 32 3.303 0.010 -8.149 1.00 0.00 H new ATOM 494 N VAL A 33 0.029 -1.779 -4.441 1.00 0.00 N ATOM 495 CA VAL A 33 -1.254 -2.363 -4.086 1.00 0.00 C ATOM 496 C VAL A 33 -2.311 -1.977 -5.115 1.00 0.00 C ATOM 497 O VAL A 33 -2.277 -0.880 -5.672 1.00 0.00 O ATOM 498 CB VAL A 33 -1.721 -1.928 -2.674 1.00 0.00 C ATOM 499 CG1 VAL A 33 -0.630 -2.182 -1.644 1.00 0.00 C ATOM 500 CG2 VAL A 33 -2.148 -0.466 -2.652 1.00 0.00 C ATOM 0 H VAL A 33 0.222 -0.879 -4.001 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.124 -3.445 -4.077 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.591 -2.532 -2.415 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.979 -1.869 -0.660 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.390 -3.245 -1.623 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.261 -1.614 -1.910 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.469 -0.196 -1.646 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.308 0.163 -2.946 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.973 -0.317 -3.349 1.00 0.00 H new ATOM 510 N ARG A 34 -3.235 -2.883 -5.380 1.00 0.00 N ATOM 511 CA ARG A 34 -4.302 -2.612 -6.326 1.00 0.00 C ATOM 512 C ARG A 34 -5.632 -2.515 -5.594 1.00 0.00 C ATOM 513 O ARG A 34 -6.224 -3.526 -5.212 1.00 0.00 O ATOM 514 CB ARG A 34 -4.355 -3.692 -7.410 1.00 0.00 C ATOM 515 CG ARG A 34 -3.067 -3.801 -8.210 1.00 0.00 C ATOM 516 CD ARG A 34 -3.193 -4.787 -9.360 1.00 0.00 C ATOM 517 NE ARG A 34 -4.176 -4.353 -10.355 1.00 0.00 N ATOM 518 CZ ARG A 34 -3.871 -3.639 -11.438 1.00 0.00 C ATOM 519 NH1 ARG A 34 -2.613 -3.270 -11.660 1.00 0.00 N ATOM 520 NH2 ARG A 34 -4.823 -3.290 -12.296 1.00 0.00 N ATOM 0 H ARG A 34 -3.268 -3.810 -4.955 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.102 -1.659 -6.815 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.569 -4.654 -6.945 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.180 -3.476 -8.089 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.799 -2.820 -8.602 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.257 -4.114 -7.552 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -2.222 -4.909 -9.840 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.480 -5.763 -8.970 1.00 0.00 H new ATOM 0 HE ARG A 34 -5.152 -4.613 -10.211 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -1.880 -3.533 -11.001 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.381 -2.724 -12.489 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.789 -3.569 -12.126 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.588 -2.743 -13.124 1.00 0.00 H new ATOM 534 N VAL A 35 -6.082 -1.289 -5.381 1.00 0.00 N ATOM 535 CA VAL A 35 -7.312 -1.041 -4.645 1.00 0.00 C ATOM 536 C VAL A 35 -8.397 -0.510 -5.571 1.00 0.00 C ATOM 537 O VAL A 35 -8.139 0.337 -6.421 1.00 0.00 O ATOM 538 CB VAL A 35 -7.089 -0.045 -3.483 1.00 0.00 C ATOM 539 CG1 VAL A 35 -6.129 -0.626 -2.459 1.00 0.00 C ATOM 540 CG2 VAL A 35 -6.567 1.292 -3.996 1.00 0.00 C ATOM 0 H VAL A 35 -5.611 -0.446 -5.709 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.633 -1.994 -4.224 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.052 0.128 -3.003 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.984 0.089 -1.649 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.542 -1.551 -2.057 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.171 -0.833 -2.935 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.420 1.971 -3.156 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.618 1.139 -4.510 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.289 1.723 -4.689 1.00 0.00 H new ATOM 550 N LYS A 36 -9.611 -1.012 -5.416 1.00 0.00 N ATOM 551 CA LYS A 36 -10.709 -0.570 -6.254 1.00 0.00 C ATOM 552 C LYS A 36 -11.334 0.677 -5.653 1.00 0.00 C ATOM 553 O LYS A 36 -11.645 0.710 -4.462 1.00 0.00 O ATOM 554 CB LYS A 36 -11.762 -1.671 -6.412 1.00 0.00 C ATOM 555 CG LYS A 36 -12.866 -1.315 -7.398 1.00 0.00 C ATOM 556 CD LYS A 36 -13.934 -2.394 -7.460 1.00 0.00 C ATOM 557 CE LYS A 36 -15.059 -2.014 -8.408 1.00 0.00 C ATOM 558 NZ LYS A 36 -14.615 -1.988 -9.826 1.00 0.00 N ATOM 0 H LYS A 36 -9.858 -1.719 -4.724 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.320 -0.339 -7.246 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.272 -2.587 -6.742 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.207 -1.880 -5.439 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -13.322 -0.368 -7.108 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.436 -1.171 -8.389 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -13.485 -3.333 -7.785 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -14.340 -2.563 -6.462 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -15.879 -2.724 -8.299 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -15.448 -1.034 -8.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -15.443 -1.892 -10.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -13.975 -1.182 -9.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -14.115 -2.872 -10.049 1.00 0.00 H new ATOM 572 N THR A 37 -11.494 1.698 -6.474 1.00 0.00 N ATOM 573 CA THR A 37 -12.067 2.957 -6.035 1.00 0.00 C ATOM 574 C THR A 37 -13.236 3.342 -6.930 1.00 0.00 C ATOM 575 O THR A 37 -13.520 2.654 -7.907 1.00 0.00 O ATOM 576 CB THR A 37 -11.014 4.084 -6.054 1.00 0.00 C ATOM 577 OG1 THR A 37 -10.350 4.119 -7.325 1.00 0.00 O ATOM 578 CG2 THR A 37 -9.989 3.892 -4.945 1.00 0.00 C ATOM 0 H THR A 37 -11.232 1.679 -7.460 1.00 0.00 H new ATOM 0 HA THR A 37 -12.418 2.825 -5.011 1.00 0.00 H new ATOM 0 HB THR A 37 -11.530 5.030 -5.889 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.638 3.354 -7.866 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.258 4.700 -4.981 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.493 3.901 -3.978 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.481 2.937 -5.080 1.00 0.00 H new ATOM 586 N GLU A 38 -13.920 4.423 -6.589 1.00 0.00 N ATOM 587 CA GLU A 38 -15.012 4.928 -7.408 1.00 0.00 C ATOM 588 C GLU A 38 -14.967 6.446 -7.485 1.00 0.00 C ATOM 589 O GLU A 38 -14.716 7.121 -6.482 1.00 0.00 O ATOM 590 CB GLU A 38 -16.370 4.489 -6.857 1.00 0.00 C ATOM 591 CG GLU A 38 -16.608 2.992 -6.928 1.00 0.00 C ATOM 592 CD GLU A 38 -18.049 2.620 -6.671 1.00 0.00 C ATOM 593 OE1 GLU A 38 -18.853 2.668 -7.626 1.00 0.00 O ATOM 594 OE2 GLU A 38 -18.387 2.275 -5.522 1.00 0.00 O ATOM 0 H GLU A 38 -13.738 4.970 -5.747 1.00 0.00 H new ATOM 0 HA GLU A 38 -14.889 4.511 -8.407 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -16.451 4.811 -5.819 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -17.158 4.999 -7.411 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -16.312 2.627 -7.912 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -15.972 2.492 -6.198 1.00 0.00 H new ATOM 601 N GLY A 39 -15.198 6.977 -8.677 1.00 0.00 N ATOM 602 CA GLY A 39 -15.245 8.413 -8.851 1.00 0.00 C ATOM 603 C GLY A 39 -14.295 8.899 -9.924 1.00 0.00 C ATOM 604 O GLY A 39 -13.648 8.098 -10.601 1.00 0.00 O ATOM 0 H GLY A 39 -15.354 6.437 -9.528 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -16.261 8.711 -9.108 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -15.000 8.898 -7.906 1.00 0.00 H new ATOM 608 N TYR A 40 -14.208 10.211 -10.077 1.00 0.00 N ATOM 609 CA TYR A 40 -13.332 10.815 -11.068 1.00 0.00 C ATOM 610 C TYR A 40 -12.287 11.681 -10.387 1.00 0.00 C ATOM 611 O TYR A 40 -12.624 12.559 -9.594 1.00 0.00 O ATOM 612 CB TYR A 40 -14.133 11.668 -12.057 1.00 0.00 C ATOM 613 CG TYR A 40 -14.988 10.872 -13.016 1.00 0.00 C ATOM 614 CD1 TYR A 40 -14.449 10.372 -14.195 1.00 0.00 C ATOM 615 CD2 TYR A 40 -16.332 10.638 -12.758 1.00 0.00 C ATOM 616 CE1 TYR A 40 -15.225 9.663 -15.089 1.00 0.00 C ATOM 617 CE2 TYR A 40 -17.114 9.925 -13.646 1.00 0.00 C ATOM 618 CZ TYR A 40 -16.556 9.442 -14.811 1.00 0.00 C ATOM 619 OH TYR A 40 -17.333 8.743 -15.703 1.00 0.00 O ATOM 0 H TYR A 40 -14.738 10.883 -9.522 1.00 0.00 H new ATOM 0 HA TYR A 40 -12.839 10.012 -11.615 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -14.774 12.348 -11.496 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -13.441 12.284 -12.631 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -13.405 10.541 -14.415 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -16.773 11.019 -11.849 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -14.791 9.283 -16.002 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -18.157 9.747 -13.429 1.00 0.00 H new ATOM 0 HH TYR A 40 -18.247 8.674 -15.357 1.00 0.00 H new ATOM 629 N ASN A 41 -11.025 11.432 -10.695 1.00 0.00 N ATOM 630 CA ASN A 41 -9.933 12.215 -10.127 1.00 0.00 C ATOM 631 C ASN A 41 -8.972 12.698 -11.219 1.00 0.00 C ATOM 632 O ASN A 41 -7.793 12.362 -11.212 1.00 0.00 O ATOM 633 CB ASN A 41 -9.182 11.400 -9.058 1.00 0.00 C ATOM 634 CG ASN A 41 -8.769 10.011 -9.528 1.00 0.00 C ATOM 635 OD1 ASN A 41 -7.685 9.817 -10.071 1.00 0.00 O ATOM 636 ND2 ASN A 41 -9.629 9.027 -9.307 1.00 0.00 N ATOM 0 H ASN A 41 -10.728 10.695 -11.335 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.362 13.096 -9.649 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.292 11.950 -8.752 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -9.815 11.303 -8.176 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -9.398 8.075 -9.591 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.522 9.222 -8.853 1.00 0.00 H new ATOM 643 N PRO A 42 -9.456 13.531 -12.161 1.00 0.00 N ATOM 644 CA PRO A 42 -8.640 13.990 -13.291 1.00 0.00 C ATOM 645 C PRO A 42 -7.507 14.907 -12.841 1.00 0.00 C ATOM 646 O PRO A 42 -6.437 14.945 -13.448 1.00 0.00 O ATOM 647 CB PRO A 42 -9.634 14.755 -14.171 1.00 0.00 C ATOM 648 CG PRO A 42 -10.724 15.175 -13.248 1.00 0.00 C ATOM 649 CD PRO A 42 -10.817 14.105 -12.196 1.00 0.00 C ATOM 0 HA PRO A 42 -8.154 13.162 -13.807 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -9.162 15.617 -14.642 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -10.017 14.124 -14.973 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -10.503 16.144 -12.800 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.668 15.279 -13.782 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -11.103 14.518 -11.229 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -11.563 13.353 -12.454 1.00 0.00 H new ATOM 657 N SER A 43 -7.742 15.626 -11.756 1.00 0.00 N ATOM 658 CA SER A 43 -6.773 16.574 -11.240 1.00 0.00 C ATOM 659 C SER A 43 -5.842 15.925 -10.217 1.00 0.00 C ATOM 660 O SER A 43 -4.922 16.566 -9.708 1.00 0.00 O ATOM 661 CB SER A 43 -7.514 17.754 -10.617 1.00 0.00 C ATOM 662 OG SER A 43 -8.639 17.304 -9.875 1.00 0.00 O ATOM 0 H SER A 43 -8.603 15.569 -11.213 1.00 0.00 H new ATOM 0 HA SER A 43 -6.151 16.923 -12.065 1.00 0.00 H new ATOM 0 HB2 SER A 43 -6.840 18.310 -9.965 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.839 18.440 -11.399 1.00 0.00 H new ATOM 0 HG SER A 43 -9.101 18.074 -9.482 1.00 0.00 H new ATOM 668 N ILE A 44 -6.063 14.648 -9.941 1.00 0.00 N ATOM 669 CA ILE A 44 -5.265 13.938 -8.952 1.00 0.00 C ATOM 670 C ILE A 44 -4.361 12.915 -9.631 1.00 0.00 C ATOM 671 O ILE A 44 -4.824 12.089 -10.417 1.00 0.00 O ATOM 672 CB ILE A 44 -6.159 13.233 -7.908 1.00 0.00 C ATOM 673 CG1 ILE A 44 -7.095 14.246 -7.241 1.00 0.00 C ATOM 674 CG2 ILE A 44 -5.304 12.531 -6.861 1.00 0.00 C ATOM 675 CD1 ILE A 44 -8.051 13.632 -6.237 1.00 0.00 C ATOM 0 H ILE A 44 -6.786 14.083 -10.387 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.650 14.675 -8.435 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.763 12.483 -8.418 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.495 15.005 -6.739 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.672 14.755 -8.013 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.950 12.040 -6.133 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.672 11.787 -7.346 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.677 13.263 -6.353 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -8.680 14.413 -5.809 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -8.679 12.894 -6.737 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.483 13.147 -5.443 1.00 0.00 H new ATOM 687 N ASN A 45 -3.071 12.991 -9.338 1.00 0.00 N ATOM 688 CA ASN A 45 -2.099 12.078 -9.923 1.00 0.00 C ATOM 689 C ASN A 45 -2.009 10.788 -9.115 1.00 0.00 C ATOM 690 O ASN A 45 -1.506 10.769 -7.984 1.00 0.00 O ATOM 691 CB ASN A 45 -0.722 12.743 -10.026 1.00 0.00 C ATOM 692 CG ASN A 45 0.330 11.818 -10.616 1.00 0.00 C ATOM 693 OD1 ASN A 45 0.019 10.888 -11.359 1.00 0.00 O ATOM 694 ND2 ASN A 45 1.587 12.076 -10.299 1.00 0.00 N ATOM 0 H ASN A 45 -2.672 13.677 -8.697 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.436 11.828 -10.929 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.800 13.639 -10.642 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.403 13.065 -9.035 1.00 0.00 H new ATOM 0 HD21 ASN A 45 2.337 11.495 -10.674 1.00 0.00 H new ATOM 0 HD22 ASN A 45 1.807 12.856 -9.680 1.00 0.00 H new ATOM 701 N VAL A 46 -2.486 9.709 -9.721 1.00 0.00 N ATOM 702 CA VAL A 46 -2.523 8.401 -9.079 1.00 0.00 C ATOM 703 C VAL A 46 -1.120 7.933 -8.688 1.00 0.00 C ATOM 704 O VAL A 46 -0.954 7.185 -7.729 1.00 0.00 O ATOM 705 CB VAL A 46 -3.176 7.352 -10.007 1.00 0.00 C ATOM 706 CG1 VAL A 46 -3.310 6.006 -9.310 1.00 0.00 C ATOM 707 CG2 VAL A 46 -4.533 7.841 -10.490 1.00 0.00 C ATOM 0 H VAL A 46 -2.858 9.715 -10.671 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.122 8.502 -8.174 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.526 7.217 -10.871 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.773 5.289 -9.989 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.323 5.646 -9.021 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.931 6.117 -8.421 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -4.979 7.090 -11.142 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.185 8.010 -9.633 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.409 8.773 -11.041 1.00 0.00 H new ATOM 717 N ASN A 47 -0.112 8.400 -9.415 1.00 0.00 N ATOM 718 CA ASN A 47 1.265 7.998 -9.148 1.00 0.00 C ATOM 719 C ASN A 47 1.776 8.611 -7.846 1.00 0.00 C ATOM 720 O ASN A 47 2.642 8.048 -7.182 1.00 0.00 O ATOM 721 CB ASN A 47 2.179 8.402 -10.309 1.00 0.00 C ATOM 722 CG ASN A 47 3.591 7.864 -10.154 1.00 0.00 C ATOM 723 OD1 ASN A 47 3.886 6.747 -10.573 1.00 0.00 O ATOM 724 ND2 ASN A 47 4.476 8.656 -9.566 1.00 0.00 N ATOM 0 H ASN A 47 -0.220 9.054 -10.190 1.00 0.00 H new ATOM 0 HA ASN A 47 1.279 6.913 -9.046 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.755 8.037 -11.244 1.00 0.00 H new ATOM 0 HB3 ASN A 47 2.214 9.489 -10.378 1.00 0.00 H new ATOM 0 HD21 ASN A 47 5.440 8.345 -9.448 1.00 0.00 H new ATOM 0 HD22 ASN A 47 4.193 9.577 -9.231 1.00 0.00 H new ATOM 731 N GLU A 48 1.235 9.767 -7.480 1.00 0.00 N ATOM 732 CA GLU A 48 1.649 10.439 -6.254 1.00 0.00 C ATOM 733 C GLU A 48 0.774 10.010 -5.085 1.00 0.00 C ATOM 734 O GLU A 48 1.077 10.295 -3.925 1.00 0.00 O ATOM 735 CB GLU A 48 1.626 11.953 -6.438 1.00 0.00 C ATOM 736 CG GLU A 48 2.733 12.453 -7.352 1.00 0.00 C ATOM 737 CD GLU A 48 2.633 13.929 -7.649 1.00 0.00 C ATOM 738 OE1 GLU A 48 3.213 14.737 -6.898 1.00 0.00 O ATOM 739 OE2 GLU A 48 1.971 14.292 -8.643 1.00 0.00 O ATOM 0 H GLU A 48 0.514 10.256 -8.010 1.00 0.00 H new ATOM 0 HA GLU A 48 2.674 10.146 -6.027 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.661 12.250 -6.848 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.720 12.434 -5.464 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.699 12.246 -6.891 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.702 11.897 -8.289 1.00 0.00 H new ATOM 746 N LEU A 49 -0.323 9.338 -5.399 1.00 0.00 N ATOM 747 CA LEU A 49 -1.102 8.648 -4.383 1.00 0.00 C ATOM 748 C LEU A 49 -0.389 7.352 -4.012 1.00 0.00 C ATOM 749 O LEU A 49 -0.006 6.577 -4.885 1.00 0.00 O ATOM 750 CB LEU A 49 -2.511 8.344 -4.894 1.00 0.00 C ATOM 751 CG LEU A 49 -3.351 9.568 -5.260 1.00 0.00 C ATOM 752 CD1 LEU A 49 -4.679 9.133 -5.853 1.00 0.00 C ATOM 753 CD2 LEU A 49 -3.572 10.450 -4.039 1.00 0.00 C ATOM 0 H LEU A 49 -0.693 9.256 -6.346 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.193 9.287 -3.505 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.431 7.703 -5.772 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.042 7.775 -4.131 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.811 10.150 -6.007 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.269 10.013 -6.110 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.500 8.541 -6.751 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.223 8.532 -5.125 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.172 11.316 -4.319 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.093 9.881 -3.269 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.609 10.785 -3.653 1.00 0.00 H new ATOM 765 N PHE A 50 -0.195 7.118 -2.724 1.00 0.00 N ATOM 766 CA PHE A 50 0.584 5.967 -2.290 1.00 0.00 C ATOM 767 C PHE A 50 -0.110 5.172 -1.195 1.00 0.00 C ATOM 768 O PHE A 50 -1.038 5.647 -0.533 1.00 0.00 O ATOM 769 CB PHE A 50 1.962 6.403 -1.783 1.00 0.00 C ATOM 770 CG PHE A 50 2.901 6.872 -2.860 1.00 0.00 C ATOM 771 CD1 PHE A 50 3.408 5.980 -3.792 1.00 0.00 C ATOM 772 CD2 PHE A 50 3.289 8.200 -2.928 1.00 0.00 C ATOM 773 CE1 PHE A 50 4.283 6.405 -4.773 1.00 0.00 C ATOM 774 CE2 PHE A 50 4.161 8.631 -3.910 1.00 0.00 C ATOM 775 CZ PHE A 50 4.660 7.733 -4.832 1.00 0.00 C ATOM 0 H PHE A 50 -0.560 7.700 -1.970 1.00 0.00 H new ATOM 0 HA PHE A 50 0.691 5.325 -3.165 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.831 7.206 -1.057 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.422 5.568 -1.255 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.116 4.941 -3.751 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.906 8.906 -2.206 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.672 5.700 -5.493 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.452 9.670 -3.956 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.344 8.068 -5.598 1.00 0.00 H new ATOM 785 N ALA A 51 0.359 3.947 -1.026 1.00 0.00 N ATOM 786 CA ALA A 51 -0.014 3.122 0.102 1.00 0.00 C ATOM 787 C ALA A 51 1.196 2.996 1.008 1.00 0.00 C ATOM 788 O ALA A 51 2.284 2.660 0.547 1.00 0.00 O ATOM 789 CB ALA A 51 -0.484 1.755 -0.367 1.00 0.00 C ATOM 0 H ALA A 51 1.010 3.499 -1.671 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.841 3.579 0.646 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.760 1.149 0.496 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.349 1.872 -1.020 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.320 1.262 -0.914 1.00 0.00 H new ATOM 795 N TYR A 52 1.033 3.287 2.279 1.00 0.00 N ATOM 796 CA TYR A 52 2.177 3.344 3.169 1.00 0.00 C ATOM 797 C TYR A 52 2.022 2.410 4.357 1.00 0.00 C ATOM 798 O TYR A 52 0.925 2.204 4.869 1.00 0.00 O ATOM 799 CB TYR A 52 2.420 4.784 3.640 1.00 0.00 C ATOM 800 CG TYR A 52 1.193 5.493 4.179 1.00 0.00 C ATOM 801 CD1 TYR A 52 0.328 6.171 3.325 1.00 0.00 C ATOM 802 CD2 TYR A 52 0.903 5.491 5.535 1.00 0.00 C ATOM 803 CE1 TYR A 52 -0.787 6.823 3.813 1.00 0.00 C ATOM 804 CE2 TYR A 52 -0.211 6.141 6.027 1.00 0.00 C ATOM 805 CZ TYR A 52 -1.052 6.805 5.164 1.00 0.00 C ATOM 806 OH TYR A 52 -2.168 7.449 5.653 1.00 0.00 O ATOM 0 H TYR A 52 0.134 3.486 2.718 1.00 0.00 H new ATOM 0 HA TYR A 52 3.046 3.006 2.605 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.186 4.773 4.416 1.00 0.00 H new ATOM 0 HB3 TYR A 52 2.819 5.362 2.806 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.532 6.187 2.265 1.00 0.00 H new ATOM 0 HD2 TYR A 52 1.560 4.972 6.218 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.449 7.345 3.138 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.422 6.128 7.086 1.00 0.00 H new ATOM 0 HH TYR A 52 -2.209 7.339 6.626 1.00 0.00 H new ATOM 816 N VAL A 53 3.136 1.832 4.766 1.00 0.00 N ATOM 817 CA VAL A 53 3.185 1.042 5.981 1.00 0.00 C ATOM 818 C VAL A 53 4.043 1.759 7.007 1.00 0.00 C ATOM 819 O VAL A 53 5.141 2.223 6.690 1.00 0.00 O ATOM 820 CB VAL A 53 3.740 -0.381 5.738 1.00 0.00 C ATOM 821 CG1 VAL A 53 2.714 -1.242 5.019 1.00 0.00 C ATOM 822 CG2 VAL A 53 5.041 -0.332 4.943 1.00 0.00 C ATOM 0 H VAL A 53 4.025 1.896 4.270 1.00 0.00 H new ATOM 0 HA VAL A 53 2.164 0.931 6.347 1.00 0.00 H new ATOM 0 HB VAL A 53 3.950 -0.829 6.709 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.124 -2.239 4.858 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.811 -1.315 5.625 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.470 -0.790 4.057 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.410 -1.346 4.786 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.860 0.142 3.978 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.784 0.243 5.496 1.00 0.00 H new ATOM 832 N ASP A 54 3.535 1.881 8.221 1.00 0.00 N ATOM 833 CA ASP A 54 4.243 2.628 9.251 1.00 0.00 C ATOM 834 C ASP A 54 5.025 1.676 10.137 1.00 0.00 C ATOM 835 O ASP A 54 4.447 0.837 10.827 1.00 0.00 O ATOM 836 CB ASP A 54 3.276 3.457 10.098 1.00 0.00 C ATOM 837 CG ASP A 54 4.007 4.373 11.061 1.00 0.00 C ATOM 838 OD1 ASP A 54 4.380 5.489 10.652 1.00 0.00 O ATOM 839 OD2 ASP A 54 4.206 3.981 12.231 1.00 0.00 O ATOM 0 H ASP A 54 2.646 1.479 8.518 1.00 0.00 H new ATOM 0 HA ASP A 54 4.933 3.313 8.759 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.640 4.052 9.443 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.621 2.790 10.658 1.00 0.00 H new ATOM 844 N LEU A 55 6.339 1.803 10.106 1.00 0.00 N ATOM 845 CA LEU A 55 7.203 0.887 10.828 1.00 0.00 C ATOM 846 C LEU A 55 7.788 1.539 12.075 1.00 0.00 C ATOM 847 O LEU A 55 9.004 1.527 12.279 1.00 0.00 O ATOM 848 CB LEU A 55 8.325 0.389 9.911 1.00 0.00 C ATOM 849 CG LEU A 55 7.859 -0.284 8.616 1.00 0.00 C ATOM 850 CD1 LEU A 55 9.049 -0.808 7.829 1.00 0.00 C ATOM 851 CD2 LEU A 55 6.886 -1.412 8.915 1.00 0.00 C ATOM 0 H LEU A 55 6.831 2.531 9.589 1.00 0.00 H new ATOM 0 HA LEU A 55 6.600 0.038 11.149 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.964 1.234 9.653 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.941 -0.318 10.468 1.00 0.00 H new ATOM 0 HG LEU A 55 7.344 0.463 8.012 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.699 -1.283 6.913 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.712 0.020 7.578 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.591 -1.537 8.431 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.568 -1.876 7.981 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.375 -2.157 9.542 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.016 -1.013 9.437 1.00 0.00 H new ATOM 863 N SER A 56 6.924 2.116 12.907 1.00 0.00 N ATOM 864 CA SER A 56 7.356 2.644 14.196 1.00 0.00 C ATOM 865 C SER A 56 8.012 1.537 15.009 1.00 0.00 C ATOM 866 O SER A 56 9.098 1.709 15.566 1.00 0.00 O ATOM 867 CB SER A 56 6.176 3.235 14.969 1.00 0.00 C ATOM 868 OG SER A 56 5.674 4.397 14.335 1.00 0.00 O ATOM 0 H SER A 56 5.929 2.229 12.713 1.00 0.00 H new ATOM 0 HA SER A 56 8.078 3.441 14.019 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.383 2.491 15.050 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.489 3.479 15.984 1.00 0.00 H new ATOM 0 HG SER A 56 5.164 4.141 13.538 1.00 0.00 H new ATOM 874 N GLY A 57 7.350 0.398 15.054 1.00 0.00 N ATOM 875 CA GLY A 57 7.913 -0.763 15.695 1.00 0.00 C ATOM 876 C GLY A 57 8.792 -1.547 14.748 1.00 0.00 C ATOM 877 O GLY A 57 8.297 -2.294 13.906 1.00 0.00 O ATOM 0 H GLY A 57 6.423 0.256 14.653 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.496 -0.454 16.563 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.110 -1.403 16.062 1.00 0.00 H new ATOM 881 N SER A 58 10.097 -1.357 14.866 1.00 0.00 N ATOM 882 CA SER A 58 11.056 -2.086 14.055 1.00 0.00 C ATOM 883 C SER A 58 11.156 -3.537 14.520 1.00 0.00 C ATOM 884 O SER A 58 11.974 -3.873 15.380 1.00 0.00 O ATOM 885 CB SER A 58 12.416 -1.391 14.129 1.00 0.00 C ATOM 886 OG SER A 58 12.614 -0.801 15.406 1.00 0.00 O ATOM 0 H SER A 58 10.517 -0.698 15.522 1.00 0.00 H new ATOM 0 HA SER A 58 10.721 -2.093 13.018 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.209 -2.112 13.930 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.480 -0.625 13.356 1.00 0.00 H new ATOM 0 HG SER A 58 13.491 -0.364 15.432 1.00 0.00 H new ATOM 892 N GLU A 59 10.295 -4.382 13.974 1.00 0.00 N ATOM 893 CA GLU A 59 10.198 -5.767 14.407 1.00 0.00 C ATOM 894 C GLU A 59 10.885 -6.701 13.416 1.00 0.00 C ATOM 895 O GLU A 59 10.401 -6.896 12.302 1.00 0.00 O ATOM 896 CB GLU A 59 8.731 -6.158 14.546 1.00 0.00 C ATOM 897 CG GLU A 59 7.935 -5.234 15.449 1.00 0.00 C ATOM 898 CD GLU A 59 6.444 -5.428 15.293 1.00 0.00 C ATOM 899 OE1 GLU A 59 5.892 -5.000 14.260 1.00 0.00 O ATOM 900 OE2 GLU A 59 5.812 -6.004 16.197 1.00 0.00 O ATOM 0 H GLU A 59 9.650 -4.130 13.225 1.00 0.00 H new ATOM 0 HA GLU A 59 10.699 -5.861 15.371 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.272 -6.169 13.557 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.671 -7.174 14.937 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.216 -5.412 16.487 1.00 0.00 H new ATOM 0 HG3 GLU A 59 8.191 -4.199 15.223 1.00 0.00 H new ATOM 907 N PRO A 60 12.020 -7.292 13.812 1.00 0.00 N ATOM 908 CA PRO A 60 12.767 -8.216 12.958 1.00 0.00 C ATOM 909 C PRO A 60 12.003 -9.509 12.698 1.00 0.00 C ATOM 910 O PRO A 60 11.338 -10.044 13.589 1.00 0.00 O ATOM 911 CB PRO A 60 14.037 -8.501 13.758 1.00 0.00 C ATOM 912 CG PRO A 60 13.669 -8.221 15.173 1.00 0.00 C ATOM 913 CD PRO A 60 12.661 -7.109 15.124 1.00 0.00 C ATOM 0 HA PRO A 60 12.957 -7.791 11.972 1.00 0.00 H new ATOM 0 HB2 PRO A 60 14.361 -9.534 13.631 1.00 0.00 H new ATOM 0 HB3 PRO A 60 14.861 -7.866 13.431 1.00 0.00 H new ATOM 0 HG2 PRO A 60 13.250 -9.107 15.650 1.00 0.00 H new ATOM 0 HG3 PRO A 60 14.544 -7.930 15.754 1.00 0.00 H new ATOM 0 HD2 PRO A 60 11.940 -7.183 15.938 1.00 0.00 H new ATOM 0 HD3 PRO A 60 13.136 -6.131 15.207 1.00 0.00 H new ATOM 921 N GLY A 61 12.103 -10.007 11.479 1.00 0.00 N ATOM 922 CA GLY A 61 11.396 -11.211 11.111 1.00 0.00 C ATOM 923 C GLY A 61 10.230 -10.916 10.199 1.00 0.00 C ATOM 924 O GLY A 61 10.060 -9.784 9.747 1.00 0.00 O ATOM 0 H GLY A 61 12.665 -9.596 10.733 1.00 0.00 H new ATOM 0 HA2 GLY A 61 12.081 -11.898 10.615 1.00 0.00 H new ATOM 0 HA3 GLY A 61 11.037 -11.712 12.010 1.00 0.00 H new ATOM 928 N GLU A 62 9.422 -11.926 9.930 1.00 0.00 N ATOM 929 CA GLU A 62 8.282 -11.773 9.046 1.00 0.00 C ATOM 930 C GLU A 62 7.066 -11.300 9.831 1.00 0.00 C ATOM 931 O GLU A 62 6.288 -12.110 10.337 1.00 0.00 O ATOM 932 CB GLU A 62 7.961 -13.087 8.329 1.00 0.00 C ATOM 933 CG GLU A 62 9.145 -13.706 7.599 1.00 0.00 C ATOM 934 CD GLU A 62 9.956 -14.638 8.476 1.00 0.00 C ATOM 935 OE1 GLU A 62 10.860 -14.163 9.191 1.00 0.00 O ATOM 936 OE2 GLU A 62 9.682 -15.853 8.459 1.00 0.00 O ATOM 0 H GLU A 62 9.536 -12.864 10.313 1.00 0.00 H new ATOM 0 HA GLU A 62 8.537 -11.026 8.295 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.584 -13.803 9.059 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.159 -12.910 7.612 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.783 -14.256 6.730 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.791 -12.911 7.226 1.00 0.00 H new ATOM 943 N HIS A 63 6.917 -9.990 9.945 1.00 0.00 N ATOM 944 CA HIS A 63 5.812 -9.413 10.697 1.00 0.00 C ATOM 945 C HIS A 63 4.763 -8.854 9.753 1.00 0.00 C ATOM 946 O HIS A 63 5.083 -8.391 8.659 1.00 0.00 O ATOM 947 CB HIS A 63 6.305 -8.319 11.647 1.00 0.00 C ATOM 948 CG HIS A 63 7.047 -8.849 12.833 1.00 0.00 C ATOM 949 ND1 HIS A 63 6.541 -8.821 14.113 1.00 0.00 N ATOM 950 CD2 HIS A 63 8.265 -9.426 12.926 1.00 0.00 C ATOM 951 CE1 HIS A 63 7.417 -9.361 14.942 1.00 0.00 C ATOM 952 NE2 HIS A 63 8.472 -9.735 14.246 1.00 0.00 N ATOM 0 H HIS A 63 7.547 -9.305 9.527 1.00 0.00 H new ATOM 0 HA HIS A 63 5.362 -10.206 11.295 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.954 -7.637 11.098 1.00 0.00 H new ATOM 0 HB3 HIS A 63 5.451 -7.737 11.993 1.00 0.00 H new ATOM 0 HD2 HIS A 63 8.949 -9.610 12.111 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.290 -9.476 16.008 1.00 0.00 H new ATOM 0 HE2 HIS A 63 9.306 -10.181 14.627 1.00 0.00 H new ATOM 961 N ASP A 64 3.515 -8.903 10.180 1.00 0.00 N ATOM 962 CA ASP A 64 2.412 -8.454 9.350 1.00 0.00 C ATOM 963 C ASP A 64 2.114 -6.991 9.629 1.00 0.00 C ATOM 964 O ASP A 64 1.854 -6.606 10.770 1.00 0.00 O ATOM 965 CB ASP A 64 1.156 -9.292 9.606 1.00 0.00 C ATOM 966 CG ASP A 64 1.415 -10.783 9.545 1.00 0.00 C ATOM 967 OD1 ASP A 64 2.005 -11.257 8.549 1.00 0.00 O ATOM 968 OD2 ASP A 64 1.021 -11.493 10.496 1.00 0.00 O ATOM 0 H ASP A 64 3.239 -9.250 11.099 1.00 0.00 H new ATOM 0 HA ASP A 64 2.702 -8.575 8.306 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.751 -9.039 10.586 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.396 -9.031 8.870 1.00 0.00 H new ATOM 973 N TYR A 65 2.172 -6.179 8.589 1.00 0.00 N ATOM 974 CA TYR A 65 1.878 -4.762 8.705 1.00 0.00 C ATOM 975 C TYR A 65 0.692 -4.412 7.825 1.00 0.00 C ATOM 976 O TYR A 65 0.499 -5.014 6.766 1.00 0.00 O ATOM 977 CB TYR A 65 3.101 -3.926 8.327 1.00 0.00 C ATOM 978 CG TYR A 65 4.253 -4.090 9.292 1.00 0.00 C ATOM 979 CD1 TYR A 65 4.273 -3.398 10.494 1.00 0.00 C ATOM 980 CD2 TYR A 65 5.311 -4.945 9.008 1.00 0.00 C ATOM 981 CE1 TYR A 65 5.316 -3.549 11.387 1.00 0.00 C ATOM 982 CE2 TYR A 65 6.357 -5.102 9.897 1.00 0.00 C ATOM 983 CZ TYR A 65 6.354 -4.402 11.084 1.00 0.00 C ATOM 984 OH TYR A 65 7.389 -4.557 11.974 1.00 0.00 O ATOM 0 H TYR A 65 2.422 -6.480 7.647 1.00 0.00 H new ATOM 0 HA TYR A 65 1.626 -4.535 9.741 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.430 -4.207 7.327 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.816 -2.875 8.286 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.460 -2.730 10.736 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.316 -5.495 8.079 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.318 -3.001 12.318 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.173 -5.770 9.663 1.00 0.00 H new ATOM 0 HH TYR A 65 7.030 -4.631 12.883 1.00 0.00 H new ATOM 994 N GLU A 66 -0.099 -3.445 8.252 1.00 0.00 N ATOM 995 CA GLU A 66 -1.344 -3.147 7.568 1.00 0.00 C ATOM 996 C GLU A 66 -1.138 -2.044 6.544 1.00 0.00 C ATOM 997 O GLU A 66 -0.533 -1.012 6.839 1.00 0.00 O ATOM 998 CB GLU A 66 -2.428 -2.751 8.568 1.00 0.00 C ATOM 999 CG GLU A 66 -2.682 -3.801 9.641 1.00 0.00 C ATOM 1000 CD GLU A 66 -3.836 -3.432 10.547 1.00 0.00 C ATOM 1001 OE1 GLU A 66 -4.996 -3.689 10.168 1.00 0.00 O ATOM 1002 OE2 GLU A 66 -3.590 -2.878 11.640 1.00 0.00 O ATOM 0 H GLU A 66 0.096 -2.857 9.062 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.671 -4.047 7.047 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.143 -1.815 9.048 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.356 -2.563 8.029 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.889 -4.760 9.166 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.780 -3.930 10.240 1.00 0.00 H new ATOM 1009 N VAL A 67 -1.642 -2.276 5.344 1.00 0.00 N ATOM 1010 CA VAL A 67 -1.490 -1.333 4.251 1.00 0.00 C ATOM 1011 C VAL A 67 -2.382 -0.119 4.462 1.00 0.00 C ATOM 1012 O VAL A 67 -3.606 -0.199 4.334 1.00 0.00 O ATOM 1013 CB VAL A 67 -1.825 -1.984 2.894 1.00 0.00 C ATOM 1014 CG1 VAL A 67 -1.655 -0.986 1.759 1.00 0.00 C ATOM 1015 CG2 VAL A 67 -0.958 -3.211 2.660 1.00 0.00 C ATOM 0 H VAL A 67 -2.165 -3.118 5.101 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.446 -1.018 4.238 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.868 -2.299 2.917 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.897 -1.468 0.812 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.323 -0.139 1.916 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.623 -0.635 1.735 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.210 -3.656 1.697 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.092 -2.920 2.662 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.134 -3.938 3.453 1.00 0.00 H new ATOM 1025 N LYS A 68 -1.767 0.997 4.812 1.00 0.00 N ATOM 1026 CA LYS A 68 -2.492 2.239 4.975 1.00 0.00 C ATOM 1027 C LYS A 68 -2.593 2.954 3.641 1.00 0.00 C ATOM 1028 O LYS A 68 -1.598 3.457 3.117 1.00 0.00 O ATOM 1029 CB LYS A 68 -1.794 3.148 5.986 1.00 0.00 C ATOM 1030 CG LYS A 68 -1.617 2.537 7.366 1.00 0.00 C ATOM 1031 CD LYS A 68 -0.795 3.451 8.260 1.00 0.00 C ATOM 1032 CE LYS A 68 -0.658 2.902 9.669 1.00 0.00 C ATOM 1033 NZ LYS A 68 -1.976 2.779 10.346 1.00 0.00 N ATOM 0 H LYS A 68 -0.765 1.066 4.989 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.490 2.006 5.345 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.814 3.420 5.595 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.366 4.071 6.082 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.593 2.360 7.818 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -1.126 1.568 7.279 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.196 3.586 7.826 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.262 4.435 8.299 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.176 1.925 9.633 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.010 3.556 10.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.830 2.615 11.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.519 3.656 10.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.502 1.980 9.939 1.00 0.00 H new ATOM 1047 N VAL A 69 -3.787 2.992 3.087 1.00 0.00 N ATOM 1048 CA VAL A 69 -4.015 3.690 1.839 1.00 0.00 C ATOM 1049 C VAL A 69 -4.312 5.146 2.139 1.00 0.00 C ATOM 1050 O VAL A 69 -5.220 5.444 2.920 1.00 0.00 O ATOM 1051 CB VAL A 69 -5.188 3.069 1.049 1.00 0.00 C ATOM 1052 CG1 VAL A 69 -5.370 3.772 -0.289 1.00 0.00 C ATOM 1053 CG2 VAL A 69 -4.972 1.577 0.848 1.00 0.00 C ATOM 0 H VAL A 69 -4.616 2.547 3.482 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.119 3.604 1.224 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.099 3.206 1.631 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.201 3.318 -0.828 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.581 4.828 -0.120 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.458 3.674 -0.879 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.810 1.160 0.289 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.049 1.415 0.292 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.902 1.085 1.818 1.00 0.00 H new ATOM 1063 N GLU A 70 -3.527 6.048 1.562 1.00 0.00 N ATOM 1064 CA GLU A 70 -3.697 7.469 1.814 1.00 0.00 C ATOM 1065 C GLU A 70 -5.071 7.921 1.331 1.00 0.00 C ATOM 1066 O GLU A 70 -5.397 7.784 0.153 1.00 0.00 O ATOM 1067 CB GLU A 70 -2.580 8.266 1.135 1.00 0.00 C ATOM 1068 CG GLU A 70 -2.544 9.731 1.533 1.00 0.00 C ATOM 1069 CD GLU A 70 -1.228 10.394 1.185 1.00 0.00 C ATOM 1070 OE1 GLU A 70 -1.070 10.849 0.032 1.00 0.00 O ATOM 1071 OE2 GLU A 70 -0.342 10.460 2.068 1.00 0.00 O ATOM 0 H GLU A 70 -2.769 5.819 0.919 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.634 7.654 2.886 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.621 7.809 1.378 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.701 8.196 0.054 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.357 10.260 1.035 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -2.718 9.817 2.606 1.00 0.00 H new ATOM 1078 N PRO A 71 -5.900 8.438 2.255 1.00 0.00 N ATOM 1079 CA PRO A 71 -7.283 8.824 1.963 1.00 0.00 C ATOM 1080 C PRO A 71 -7.384 9.837 0.829 1.00 0.00 C ATOM 1081 O PRO A 71 -6.983 10.995 0.971 1.00 0.00 O ATOM 1082 CB PRO A 71 -7.789 9.434 3.277 1.00 0.00 C ATOM 1083 CG PRO A 71 -6.566 9.704 4.086 1.00 0.00 C ATOM 1084 CD PRO A 71 -5.552 8.684 3.662 1.00 0.00 C ATOM 0 HA PRO A 71 -7.870 7.968 1.629 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -8.349 10.351 3.094 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -8.460 8.749 3.796 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -6.198 10.715 3.911 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -6.778 9.622 5.152 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -4.534 9.059 3.766 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -5.620 7.775 4.260 1.00 0.00 H new ATOM 1092 N ILE A 72 -7.907 9.379 -0.300 1.00 0.00 N ATOM 1093 CA ILE A 72 -8.082 10.224 -1.469 1.00 0.00 C ATOM 1094 C ILE A 72 -9.373 11.027 -1.340 1.00 0.00 C ATOM 1095 O ILE A 72 -10.464 10.455 -1.326 1.00 0.00 O ATOM 1096 CB ILE A 72 -8.137 9.383 -2.763 1.00 0.00 C ATOM 1097 CG1 ILE A 72 -7.018 8.337 -2.774 1.00 0.00 C ATOM 1098 CG2 ILE A 72 -8.028 10.289 -3.984 1.00 0.00 C ATOM 1099 CD1 ILE A 72 -7.132 7.337 -3.906 1.00 0.00 C ATOM 0 H ILE A 72 -8.220 8.417 -0.429 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.227 10.898 -1.526 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.094 8.862 -2.797 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -6.057 8.846 -2.846 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.024 7.801 -1.825 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.068 9.685 -4.890 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -8.855 10.999 -3.985 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.083 10.832 -3.951 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.306 6.628 -3.850 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -8.077 6.800 -3.824 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.095 7.862 -4.860 1.00 0.00 H new ATOM 1111 N PRO A 73 -9.267 12.358 -1.231 1.00 0.00 N ATOM 1112 CA PRO A 73 -10.433 13.228 -1.084 1.00 0.00 C ATOM 1113 C PRO A 73 -11.298 13.247 -2.340 1.00 0.00 C ATOM 1114 O PRO A 73 -10.774 13.222 -3.458 1.00 0.00 O ATOM 1115 CB PRO A 73 -9.825 14.610 -0.826 1.00 0.00 C ATOM 1116 CG PRO A 73 -8.454 14.541 -1.408 1.00 0.00 C ATOM 1117 CD PRO A 73 -8.003 13.117 -1.244 1.00 0.00 C ATOM 0 HA PRO A 73 -11.095 12.891 -0.286 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -10.415 15.396 -1.298 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.791 14.834 0.240 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.462 14.829 -2.459 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.778 15.225 -0.895 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.355 12.804 -2.062 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.441 12.977 -0.321 1.00 0.00 H new ATOM 1125 N ASN A 74 -12.618 13.262 -2.137 1.00 0.00 N ATOM 1126 CA ASN A 74 -13.603 13.335 -3.227 1.00 0.00 C ATOM 1127 C ASN A 74 -13.746 11.981 -3.930 1.00 0.00 C ATOM 1128 O ASN A 74 -14.581 11.809 -4.819 1.00 0.00 O ATOM 1129 CB ASN A 74 -13.221 14.435 -4.234 1.00 0.00 C ATOM 1130 CG ASN A 74 -14.272 14.672 -5.306 1.00 0.00 C ATOM 1131 OD1 ASN A 74 -15.471 14.509 -5.073 1.00 0.00 O ATOM 1132 ND2 ASN A 74 -13.826 15.064 -6.489 1.00 0.00 N ATOM 0 H ASN A 74 -13.039 13.224 -1.209 1.00 0.00 H new ATOM 0 HA ASN A 74 -14.569 13.591 -2.791 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -13.049 15.366 -3.694 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -12.280 14.166 -4.713 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.483 15.243 -7.248 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -12.825 15.187 -6.641 1.00 0.00 H new ATOM 1139 N ILE A 75 -12.950 11.011 -3.503 1.00 0.00 N ATOM 1140 CA ILE A 75 -12.953 9.692 -4.120 1.00 0.00 C ATOM 1141 C ILE A 75 -13.405 8.633 -3.118 1.00 0.00 C ATOM 1142 O ILE A 75 -13.132 8.735 -1.921 1.00 0.00 O ATOM 1143 CB ILE A 75 -11.552 9.338 -4.678 1.00 0.00 C ATOM 1144 CG1 ILE A 75 -11.148 10.341 -5.764 1.00 0.00 C ATOM 1145 CG2 ILE A 75 -11.511 7.918 -5.230 1.00 0.00 C ATOM 1146 CD1 ILE A 75 -12.105 10.392 -6.936 1.00 0.00 C ATOM 0 H ILE A 75 -12.292 11.113 -2.730 1.00 0.00 H new ATOM 0 HA ILE A 75 -13.658 9.711 -4.951 1.00 0.00 H new ATOM 0 HB ILE A 75 -10.840 9.394 -3.854 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -11.079 11.334 -5.320 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -10.154 10.085 -6.130 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -10.513 7.705 -5.613 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -11.753 7.212 -4.436 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -12.237 7.820 -6.037 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.752 11.124 -7.662 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -12.157 9.410 -7.406 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -13.096 10.679 -6.584 1.00 0.00 H new ATOM 1158 N LYS A 76 -14.121 7.635 -3.611 1.00 0.00 N ATOM 1159 CA LYS A 76 -14.608 6.546 -2.777 1.00 0.00 C ATOM 1160 C LYS A 76 -13.692 5.332 -2.907 1.00 0.00 C ATOM 1161 O LYS A 76 -13.255 5.002 -4.007 1.00 0.00 O ATOM 1162 CB LYS A 76 -16.033 6.180 -3.205 1.00 0.00 C ATOM 1163 CG LYS A 76 -16.610 4.974 -2.487 1.00 0.00 C ATOM 1164 CD LYS A 76 -17.987 4.625 -3.023 1.00 0.00 C ATOM 1165 CE LYS A 76 -18.550 3.384 -2.351 1.00 0.00 C ATOM 1166 NZ LYS A 76 -18.768 3.586 -0.894 1.00 0.00 N ATOM 0 H LYS A 76 -14.380 7.556 -4.594 1.00 0.00 H new ATOM 0 HA LYS A 76 -14.613 6.864 -1.734 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -16.684 7.037 -3.031 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -16.039 5.987 -4.278 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -15.942 4.121 -2.608 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -16.674 5.179 -1.418 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -18.664 5.465 -2.864 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -17.929 4.462 -4.099 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -19.494 3.113 -2.824 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -17.866 2.549 -2.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -19.306 2.783 -0.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -17.849 3.651 -0.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -19.302 4.465 -0.742 1.00 0.00 H new ATOM 1180 N ILE A 77 -13.389 4.682 -1.792 1.00 0.00 N ATOM 1181 CA ILE A 77 -12.588 3.466 -1.823 1.00 0.00 C ATOM 1182 C ILE A 77 -13.481 2.248 -1.601 1.00 0.00 C ATOM 1183 O ILE A 77 -14.342 2.247 -0.719 1.00 0.00 O ATOM 1184 CB ILE A 77 -11.445 3.495 -0.777 1.00 0.00 C ATOM 1185 CG1 ILE A 77 -10.567 2.246 -0.909 1.00 0.00 C ATOM 1186 CG2 ILE A 77 -12.004 3.614 0.634 1.00 0.00 C ATOM 1187 CD1 ILE A 77 -9.360 2.246 0.006 1.00 0.00 C ATOM 0 H ILE A 77 -13.683 4.974 -0.860 1.00 0.00 H new ATOM 0 HA ILE A 77 -12.123 3.401 -2.807 1.00 0.00 H new ATOM 0 HB ILE A 77 -10.827 4.372 -0.969 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -11.172 1.364 -0.697 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -10.228 2.159 -1.941 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -11.183 3.632 1.350 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -12.581 4.535 0.720 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -12.649 2.760 0.843 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -8.789 1.330 -0.146 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.732 3.107 -0.220 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.690 2.300 1.043 1.00 0.00 H new ATOM 1199 N VAL A 78 -13.298 1.228 -2.420 1.00 0.00 N ATOM 1200 CA VAL A 78 -14.140 0.045 -2.360 1.00 0.00 C ATOM 1201 C VAL A 78 -13.428 -1.103 -1.659 1.00 0.00 C ATOM 1202 O VAL A 78 -13.846 -1.548 -0.590 1.00 0.00 O ATOM 1203 CB VAL A 78 -14.559 -0.425 -3.770 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -15.547 -1.578 -3.684 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -15.139 0.728 -4.572 1.00 0.00 C ATOM 0 H VAL A 78 -12.573 1.194 -3.136 1.00 0.00 H new ATOM 0 HA VAL A 78 -15.029 0.325 -1.794 1.00 0.00 H new ATOM 0 HB VAL A 78 -13.669 -0.782 -4.288 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -15.828 -1.892 -4.689 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -15.086 -2.414 -3.158 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -16.437 -1.255 -3.143 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -15.427 0.374 -5.562 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -16.015 1.124 -4.059 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -14.391 1.514 -4.672 1.00 0.00 H new ATOM 1215 N GLU A 79 -12.335 -1.563 -2.247 1.00 0.00 N ATOM 1216 CA GLU A 79 -11.690 -2.781 -1.781 1.00 0.00 C ATOM 1217 C GLU A 79 -10.181 -2.592 -1.705 1.00 0.00 C ATOM 1218 O GLU A 79 -9.592 -1.916 -2.549 1.00 0.00 O ATOM 1219 CB GLU A 79 -12.033 -3.938 -2.720 1.00 0.00 C ATOM 1220 CG GLU A 79 -11.778 -5.313 -2.128 1.00 0.00 C ATOM 1221 CD GLU A 79 -12.157 -6.431 -3.076 1.00 0.00 C ATOM 1222 OE1 GLU A 79 -13.348 -6.541 -3.429 1.00 0.00 O ATOM 1223 OE2 GLU A 79 -11.263 -7.210 -3.471 1.00 0.00 O ATOM 0 H GLU A 79 -11.878 -1.116 -3.042 1.00 0.00 H new ATOM 0 HA GLU A 79 -12.056 -3.012 -0.781 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -13.084 -3.864 -3.001 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.450 -3.834 -3.635 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.723 -5.403 -1.868 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -12.345 -5.418 -1.203 1.00 0.00 H new ATOM 1230 N ILE A 80 -9.569 -3.191 -0.694 1.00 0.00 N ATOM 1231 CA ILE A 80 -8.137 -3.063 -0.484 1.00 0.00 C ATOM 1232 C ILE A 80 -7.444 -4.401 -0.725 1.00 0.00 C ATOM 1233 O ILE A 80 -7.840 -5.424 -0.166 1.00 0.00 O ATOM 1234 CB ILE A 80 -7.827 -2.569 0.949 1.00 0.00 C ATOM 1235 CG1 ILE A 80 -8.588 -1.272 1.237 1.00 0.00 C ATOM 1236 CG2 ILE A 80 -6.329 -2.357 1.129 1.00 0.00 C ATOM 1237 CD1 ILE A 80 -8.412 -0.762 2.652 1.00 0.00 C ATOM 0 H ILE A 80 -10.045 -3.772 -0.004 1.00 0.00 H new ATOM 0 HA ILE A 80 -7.760 -2.328 -1.195 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.153 -3.331 1.657 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.255 -0.504 0.540 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.649 -1.435 1.049 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.130 -2.010 2.143 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -5.805 -3.298 0.958 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.979 -1.612 0.415 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.980 0.159 2.780 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -8.772 -1.512 3.356 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -7.356 -0.566 2.839 1.00 0.00 H new ATOM 1249 N SER A 81 -6.429 -4.401 -1.579 1.00 0.00 N ATOM 1250 CA SER A 81 -5.688 -5.618 -1.874 1.00 0.00 C ATOM 1251 C SER A 81 -4.216 -5.310 -2.142 1.00 0.00 C ATOM 1252 O SER A 81 -3.883 -4.639 -3.120 1.00 0.00 O ATOM 1253 CB SER A 81 -6.303 -6.334 -3.080 1.00 0.00 C ATOM 1254 OG SER A 81 -7.656 -6.681 -2.828 1.00 0.00 O ATOM 0 H SER A 81 -6.101 -3.574 -2.078 1.00 0.00 H new ATOM 0 HA SER A 81 -5.748 -6.271 -1.004 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.246 -5.690 -3.958 1.00 0.00 H new ATOM 0 HB3 SER A 81 -5.729 -7.233 -3.306 1.00 0.00 H new ATOM 0 HG SER A 81 -8.029 -7.136 -3.612 1.00 0.00 H new ATOM 1260 N PRO A 82 -3.310 -5.783 -1.271 1.00 0.00 N ATOM 1261 CA PRO A 82 -3.657 -6.521 -0.055 1.00 0.00 C ATOM 1262 C PRO A 82 -4.015 -5.586 1.098 1.00 0.00 C ATOM 1263 O PRO A 82 -3.853 -4.372 0.994 1.00 0.00 O ATOM 1264 CB PRO A 82 -2.373 -7.301 0.276 1.00 0.00 C ATOM 1265 CG PRO A 82 -1.379 -6.940 -0.786 1.00 0.00 C ATOM 1266 CD PRO A 82 -1.862 -5.661 -1.406 1.00 0.00 C ATOM 0 HA PRO A 82 -4.530 -7.157 -0.201 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.000 -7.035 1.265 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -2.561 -8.375 0.284 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -0.384 -6.812 -0.359 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -1.306 -7.730 -1.533 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.477 -4.785 -0.885 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.556 -5.572 -2.448 1.00 0.00 H new ATOM 1274 N ARG A 83 -4.494 -6.157 2.192 1.00 0.00 N ATOM 1275 CA ARG A 83 -4.889 -5.372 3.355 1.00 0.00 C ATOM 1276 C ARG A 83 -3.783 -5.400 4.398 1.00 0.00 C ATOM 1277 O ARG A 83 -3.418 -4.374 4.973 1.00 0.00 O ATOM 1278 CB ARG A 83 -6.182 -5.934 3.942 1.00 0.00 C ATOM 1279 CG ARG A 83 -7.257 -6.155 2.895 1.00 0.00 C ATOM 1280 CD ARG A 83 -8.433 -6.938 3.444 1.00 0.00 C ATOM 1281 NE ARG A 83 -9.307 -7.404 2.370 1.00 0.00 N ATOM 1282 CZ ARG A 83 -10.221 -8.363 2.510 1.00 0.00 C ATOM 1283 NH1 ARG A 83 -10.428 -8.927 3.695 1.00 0.00 N ATOM 1284 NH2 ARG A 83 -10.929 -8.758 1.460 1.00 0.00 N ATOM 0 H ARG A 83 -4.620 -7.163 2.301 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.058 -4.339 3.051 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -5.968 -6.879 4.441 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -6.558 -5.250 4.703 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.605 -5.191 2.524 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.831 -6.689 2.045 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -8.069 -7.791 4.016 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -9.001 -6.312 4.132 1.00 0.00 H new ATOM 0 HE ARG A 83 -9.211 -6.967 1.454 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -9.885 -8.626 4.505 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -11.129 -9.661 3.795 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -10.773 -8.328 0.548 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -11.629 -9.492 1.564 1.00 0.00 H new ATOM 1298 N VAL A 84 -3.251 -6.590 4.633 1.00 0.00 N ATOM 1299 CA VAL A 84 -2.137 -6.773 5.549 1.00 0.00 C ATOM 1300 C VAL A 84 -1.031 -7.551 4.849 1.00 0.00 C ATOM 1301 O VAL A 84 -1.273 -8.630 4.308 1.00 0.00 O ATOM 1302 CB VAL A 84 -2.564 -7.528 6.830 1.00 0.00 C ATOM 1303 CG1 VAL A 84 -1.393 -7.686 7.784 1.00 0.00 C ATOM 1304 CG2 VAL A 84 -3.718 -6.816 7.522 1.00 0.00 C ATOM 0 H VAL A 84 -3.578 -7.452 4.196 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.780 -5.786 5.845 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.901 -8.521 6.533 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.720 -8.220 8.676 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.599 -8.250 7.295 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.019 -6.702 8.067 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.999 -7.367 8.420 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.411 -5.807 7.797 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.571 -6.764 6.846 1.00 0.00 H new ATOM 1314 N VAL A 85 0.171 -6.999 4.840 1.00 0.00 N ATOM 1315 CA VAL A 85 1.288 -7.633 4.159 1.00 0.00 C ATOM 1316 C VAL A 85 2.344 -8.090 5.153 1.00 0.00 C ATOM 1317 O VAL A 85 2.645 -7.398 6.127 1.00 0.00 O ATOM 1318 CB VAL A 85 1.936 -6.702 3.108 1.00 0.00 C ATOM 1319 CG1 VAL A 85 0.982 -6.455 1.952 1.00 0.00 C ATOM 1320 CG2 VAL A 85 2.365 -5.381 3.732 1.00 0.00 C ATOM 0 H VAL A 85 0.398 -6.115 5.295 1.00 0.00 H new ATOM 0 HA VAL A 85 0.882 -8.500 3.639 1.00 0.00 H new ATOM 0 HB VAL A 85 2.827 -7.200 2.726 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.456 -5.798 1.223 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.733 -7.404 1.477 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.072 -5.986 2.325 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.817 -4.748 2.969 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.494 -4.877 4.152 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.091 -5.571 4.522 1.00 0.00 H new ATOM 1330 N THR A 86 2.892 -9.267 4.910 1.00 0.00 N ATOM 1331 CA THR A 86 3.940 -9.804 5.754 1.00 0.00 C ATOM 1332 C THR A 86 5.300 -9.300 5.284 1.00 0.00 C ATOM 1333 O THR A 86 5.805 -9.719 4.241 1.00 0.00 O ATOM 1334 CB THR A 86 3.919 -11.343 5.743 1.00 0.00 C ATOM 1335 OG1 THR A 86 2.600 -11.807 6.063 1.00 0.00 O ATOM 1336 CG2 THR A 86 4.916 -11.909 6.744 1.00 0.00 C ATOM 0 H THR A 86 2.626 -9.870 4.131 1.00 0.00 H new ATOM 0 HA THR A 86 3.764 -9.465 6.775 1.00 0.00 H new ATOM 0 HB THR A 86 4.200 -11.685 4.747 1.00 0.00 H new ATOM 0 HG1 THR A 86 2.289 -11.369 6.883 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.881 -12.998 6.716 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.920 -11.571 6.488 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.662 -11.563 7.746 1.00 0.00 H new ATOM 1344 N LEU A 87 5.876 -8.383 6.040 1.00 0.00 N ATOM 1345 CA LEU A 87 7.154 -7.791 5.681 1.00 0.00 C ATOM 1346 C LEU A 87 8.271 -8.422 6.493 1.00 0.00 C ATOM 1347 O LEU A 87 8.193 -8.501 7.720 1.00 0.00 O ATOM 1348 CB LEU A 87 7.129 -6.277 5.903 1.00 0.00 C ATOM 1349 CG LEU A 87 6.090 -5.516 5.076 1.00 0.00 C ATOM 1350 CD1 LEU A 87 6.156 -4.027 5.374 1.00 0.00 C ATOM 1351 CD2 LEU A 87 6.293 -5.774 3.590 1.00 0.00 C ATOM 0 H LEU A 87 5.478 -8.030 6.910 1.00 0.00 H new ATOM 0 HA LEU A 87 7.336 -7.981 4.623 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.942 -6.083 6.959 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.117 -5.876 5.675 1.00 0.00 H new ATOM 0 HG LEU A 87 5.100 -5.878 5.354 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.410 -3.503 4.777 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.957 -3.859 6.432 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.149 -3.650 5.127 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.544 -5.224 3.020 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.289 -5.443 3.296 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.191 -6.840 3.389 1.00 0.00 H new ATOM 1363 N GLN A 88 9.299 -8.887 5.803 1.00 0.00 N ATOM 1364 CA GLN A 88 10.440 -9.494 6.464 1.00 0.00 C ATOM 1365 C GLN A 88 11.479 -8.427 6.774 1.00 0.00 C ATOM 1366 O GLN A 88 12.159 -7.931 5.873 1.00 0.00 O ATOM 1367 CB GLN A 88 11.059 -10.582 5.584 1.00 0.00 C ATOM 1368 CG GLN A 88 10.039 -11.533 4.980 1.00 0.00 C ATOM 1369 CD GLN A 88 10.683 -12.698 4.257 1.00 0.00 C ATOM 1370 OE1 GLN A 88 11.807 -12.595 3.764 1.00 0.00 O ATOM 1371 NE2 GLN A 88 9.973 -13.811 4.174 1.00 0.00 N ATOM 0 H GLN A 88 9.366 -8.855 4.786 1.00 0.00 H new ATOM 0 HA GLN A 88 10.101 -9.953 7.393 1.00 0.00 H new ATOM 0 HB2 GLN A 88 11.623 -10.109 4.780 1.00 0.00 H new ATOM 0 HB3 GLN A 88 11.771 -11.156 6.178 1.00 0.00 H new ATOM 0 HG2 GLN A 88 9.391 -11.914 5.770 1.00 0.00 H new ATOM 0 HG3 GLN A 88 9.404 -10.985 4.284 1.00 0.00 H new ATOM 0 HE21 GLN A 88 9.045 -13.857 4.596 1.00 0.00 H new ATOM 0 HE22 GLN A 88 10.353 -14.623 3.688 1.00 0.00 H new ATOM 1380 N LEU A 89 11.576 -8.050 8.036 1.00 0.00 N ATOM 1381 CA LEU A 89 12.532 -7.039 8.448 1.00 0.00 C ATOM 1382 C LEU A 89 13.811 -7.680 8.949 1.00 0.00 C ATOM 1383 O LEU A 89 13.791 -8.542 9.828 1.00 0.00 O ATOM 1384 CB LEU A 89 11.944 -6.129 9.525 1.00 0.00 C ATOM 1385 CG LEU A 89 10.794 -5.239 9.058 1.00 0.00 C ATOM 1386 CD1 LEU A 89 10.294 -4.368 10.198 1.00 0.00 C ATOM 1387 CD2 LEU A 89 11.230 -4.377 7.886 1.00 0.00 C ATOM 0 H LEU A 89 11.005 -8.428 8.792 1.00 0.00 H new ATOM 0 HA LEU A 89 12.764 -6.430 7.574 1.00 0.00 H new ATOM 0 HB2 LEU A 89 11.593 -6.748 10.351 1.00 0.00 H new ATOM 0 HB3 LEU A 89 12.739 -5.495 9.918 1.00 0.00 H new ATOM 0 HG LEU A 89 9.976 -5.881 8.731 1.00 0.00 H new ATOM 0 HD11 LEU A 89 9.475 -3.741 9.845 1.00 0.00 H new ATOM 0 HD12 LEU A 89 9.942 -5.001 11.012 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.106 -3.735 10.556 1.00 0.00 H new ATOM 0 HD21 LEU A 89 10.398 -3.749 7.567 1.00 0.00 H new ATOM 0 HD22 LEU A 89 12.065 -3.746 8.190 1.00 0.00 H new ATOM 0 HD23 LEU A 89 11.540 -5.016 7.060 1.00 0.00 H new ATOM 1399 N GLU A 90 14.914 -7.256 8.374 1.00 0.00 N ATOM 1400 CA GLU A 90 16.223 -7.739 8.773 1.00 0.00 C ATOM 1401 C GLU A 90 16.962 -6.629 9.509 1.00 0.00 C ATOM 1402 O GLU A 90 16.690 -5.448 9.288 1.00 0.00 O ATOM 1403 CB GLU A 90 17.020 -8.188 7.544 1.00 0.00 C ATOM 1404 CG GLU A 90 18.291 -8.948 7.883 1.00 0.00 C ATOM 1405 CD GLU A 90 19.084 -9.345 6.656 1.00 0.00 C ATOM 1406 OE1 GLU A 90 18.741 -10.361 6.021 1.00 0.00 O ATOM 1407 OE2 GLU A 90 20.064 -8.646 6.323 1.00 0.00 O ATOM 0 H GLU A 90 14.933 -6.570 7.620 1.00 0.00 H new ATOM 0 HA GLU A 90 16.108 -8.597 9.436 1.00 0.00 H new ATOM 0 HB2 GLU A 90 16.386 -8.819 6.921 1.00 0.00 H new ATOM 0 HB3 GLU A 90 17.279 -7.311 6.950 1.00 0.00 H new ATOM 0 HG2 GLU A 90 18.916 -8.332 8.530 1.00 0.00 H new ATOM 0 HG3 GLU A 90 18.033 -9.843 8.448 1.00 0.00 H new ATOM 1414 N HIS A 91 17.881 -6.995 10.384 1.00 0.00 N ATOM 1415 CA HIS A 91 18.632 -6.002 11.136 1.00 0.00 C ATOM 1416 C HIS A 91 19.709 -5.360 10.275 1.00 0.00 C ATOM 1417 O HIS A 91 20.661 -6.020 9.862 1.00 0.00 O ATOM 1418 CB HIS A 91 19.284 -6.616 12.378 1.00 0.00 C ATOM 1419 CG HIS A 91 18.357 -6.797 13.540 1.00 0.00 C ATOM 1420 ND1 HIS A 91 18.229 -5.868 14.548 1.00 0.00 N ATOM 1421 CD2 HIS A 91 17.531 -7.817 13.864 1.00 0.00 C ATOM 1422 CE1 HIS A 91 17.366 -6.308 15.442 1.00 0.00 C ATOM 1423 NE2 HIS A 91 16.926 -7.489 15.053 1.00 0.00 N ATOM 0 H HIS A 91 18.125 -7.963 10.592 1.00 0.00 H new ATOM 0 HA HIS A 91 17.920 -5.239 11.450 1.00 0.00 H new ATOM 0 HB2 HIS A 91 19.705 -7.585 12.111 1.00 0.00 H new ATOM 0 HB3 HIS A 91 20.115 -5.982 12.688 1.00 0.00 H new ATOM 0 HD1 HIS A 91 18.725 -4.978 14.596 1.00 0.00 H new ATOM 0 HD2 HIS A 91 17.376 -8.721 13.294 1.00 0.00 H new ATOM 0 HE1 HIS A 91 17.069 -5.789 16.341 1.00 0.00 H new ATOM 1432 N HIS A 92 19.550 -4.075 9.998 1.00 0.00 N ATOM 1433 CA HIS A 92 20.618 -3.300 9.380 1.00 0.00 C ATOM 1434 C HIS A 92 21.694 -3.074 10.433 1.00 0.00 C ATOM 1435 O HIS A 92 22.866 -2.861 10.130 1.00 0.00 O ATOM 1436 CB HIS A 92 20.080 -1.974 8.836 1.00 0.00 C ATOM 1437 CG HIS A 92 21.101 -1.157 8.101 1.00 0.00 C ATOM 1438 ND1 HIS A 92 21.747 -1.606 6.971 1.00 0.00 N ATOM 1439 CD2 HIS A 92 21.581 0.087 8.338 1.00 0.00 C ATOM 1440 CE1 HIS A 92 22.578 -0.676 6.544 1.00 0.00 C ATOM 1441 NE2 HIS A 92 22.497 0.361 7.354 1.00 0.00 N ATOM 0 H HIS A 92 18.698 -3.548 10.189 1.00 0.00 H new ATOM 0 HA HIS A 92 21.039 -3.839 8.531 1.00 0.00 H new ATOM 0 HB2 HIS A 92 19.244 -2.180 8.167 1.00 0.00 H new ATOM 0 HB3 HIS A 92 19.687 -1.386 9.665 1.00 0.00 H new ATOM 0 HD2 HIS A 92 21.296 0.741 9.149 1.00 0.00 H new ATOM 0 HE1 HIS A 92 23.217 -0.751 5.677 1.00 0.00 H new ATOM 0 HE2 HIS A 92 23.029 1.227 7.264 1.00 0.00 H new ATOM 1450 N HIS A 93 21.249 -3.115 11.681 1.00 0.00 N ATOM 1451 CA HIS A 93 22.117 -3.238 12.839 1.00 0.00 C ATOM 1452 C HIS A 93 21.470 -4.215 13.806 1.00 0.00 C ATOM 1453 O HIS A 93 20.304 -4.045 14.167 1.00 0.00 O ATOM 1454 CB HIS A 93 22.341 -1.890 13.534 1.00 0.00 C ATOM 1455 CG HIS A 93 23.394 -1.041 12.895 1.00 0.00 C ATOM 1456 ND1 HIS A 93 23.317 0.332 12.835 1.00 0.00 N ATOM 1457 CD2 HIS A 93 24.567 -1.374 12.308 1.00 0.00 C ATOM 1458 CE1 HIS A 93 24.393 0.804 12.239 1.00 0.00 C ATOM 1459 NE2 HIS A 93 25.169 -0.209 11.909 1.00 0.00 N ATOM 0 H HIS A 93 20.259 -3.063 11.919 1.00 0.00 H new ATOM 0 HA HIS A 93 23.094 -3.595 12.513 1.00 0.00 H new ATOM 0 HB2 HIS A 93 21.401 -1.338 13.544 1.00 0.00 H new ATOM 0 HB3 HIS A 93 22.616 -2.070 14.573 1.00 0.00 H new ATOM 0 HD2 HIS A 93 24.957 -2.373 12.178 1.00 0.00 H new ATOM 0 HE1 HIS A 93 24.604 1.847 12.052 1.00 0.00 H new ATOM 0 HE2 HIS A 93 26.069 -0.138 11.435 1.00 0.00 H new ATOM 1468 N HIS A 94 22.194 -5.259 14.187 1.00 0.00 N ATOM 1469 CA HIS A 94 21.655 -6.255 15.111 1.00 0.00 C ATOM 1470 C HIS A 94 21.469 -5.640 16.491 1.00 0.00 C ATOM 1471 O HIS A 94 20.355 -5.297 16.886 1.00 0.00 O ATOM 1472 CB HIS A 94 22.566 -7.485 15.204 1.00 0.00 C ATOM 1473 CG HIS A 94 22.524 -8.378 14.000 1.00 0.00 C ATOM 1474 ND1 HIS A 94 21.981 -9.646 14.018 1.00 0.00 N ATOM 1475 CD2 HIS A 94 22.980 -8.188 12.743 1.00 0.00 C ATOM 1476 CE1 HIS A 94 22.108 -10.193 12.824 1.00 0.00 C ATOM 1477 NE2 HIS A 94 22.711 -9.328 12.034 1.00 0.00 N ATOM 0 H HIS A 94 23.148 -5.440 13.875 1.00 0.00 H new ATOM 0 HA HIS A 94 20.689 -6.581 14.726 1.00 0.00 H new ATOM 0 HB2 HIS A 94 23.592 -7.151 15.359 1.00 0.00 H new ATOM 0 HB3 HIS A 94 22.284 -8.066 16.082 1.00 0.00 H new ATOM 0 HD2 HIS A 94 23.467 -7.301 12.367 1.00 0.00 H new ATOM 0 HE1 HIS A 94 21.775 -11.181 12.542 1.00 0.00 H new ATOM 0 HE2 HIS A 94 22.940 -9.483 11.052 1.00 0.00 H new ATOM 1486 N HIS A 95 22.577 -5.489 17.200 1.00 0.00 N ATOM 1487 CA HIS A 95 22.598 -4.834 18.502 1.00 0.00 C ATOM 1488 C HIS A 95 24.027 -4.798 19.006 1.00 0.00 C ATOM 1489 O HIS A 95 24.452 -3.837 19.639 1.00 0.00 O ATOM 1490 CB HIS A 95 21.705 -5.549 19.527 1.00 0.00 C ATOM 1491 CG HIS A 95 21.527 -4.766 20.795 1.00 0.00 C ATOM 1492 ND1 HIS A 95 22.001 -5.183 22.021 1.00 0.00 N ATOM 1493 CD2 HIS A 95 20.928 -3.573 21.016 1.00 0.00 C ATOM 1494 CE1 HIS A 95 21.701 -4.279 22.936 1.00 0.00 C ATOM 1495 NE2 HIS A 95 21.052 -3.293 22.353 1.00 0.00 N ATOM 0 H HIS A 95 23.491 -5.818 16.889 1.00 0.00 H new ATOM 0 HA HIS A 95 22.205 -3.825 18.381 1.00 0.00 H new ATOM 0 HB2 HIS A 95 20.728 -5.736 19.082 1.00 0.00 H new ATOM 0 HB3 HIS A 95 22.139 -6.520 19.764 1.00 0.00 H new ATOM 0 HD2 HIS A 95 20.442 -2.955 20.276 1.00 0.00 H new ATOM 0 HE1 HIS A 95 21.947 -4.339 23.986 1.00 0.00 H new ATOM 0 HE2 HIS A 95 20.699 -2.457 22.819 1.00 0.00 H new ATOM 1504 N HIS A 96 24.759 -5.861 18.722 1.00 0.00 N ATOM 1505 CA HIS A 96 26.168 -5.929 19.053 1.00 0.00 C ATOM 1506 C HIS A 96 26.969 -6.094 17.772 1.00 0.00 C ATOM 1507 O HIS A 96 27.525 -5.093 17.287 1.00 0.00 O ATOM 1508 CB HIS A 96 26.441 -7.095 20.010 1.00 0.00 C ATOM 1509 CG HIS A 96 27.812 -7.073 20.615 1.00 0.00 C ATOM 1510 ND1 HIS A 96 28.078 -6.484 21.828 1.00 0.00 N ATOM 1511 CD2 HIS A 96 28.991 -7.580 20.180 1.00 0.00 C ATOM 1512 CE1 HIS A 96 29.357 -6.623 22.115 1.00 0.00 C ATOM 1513 NE2 HIS A 96 29.936 -7.286 21.132 1.00 0.00 N ATOM 1514 OXT HIS A 96 26.999 -7.219 17.236 1.00 0.00 O ATOM 0 H HIS A 96 24.395 -6.694 18.259 1.00 0.00 H new ATOM 0 HA HIS A 96 26.467 -5.008 19.554 1.00 0.00 H new ATOM 0 HB2 HIS A 96 25.701 -7.077 20.810 1.00 0.00 H new ATOM 0 HB3 HIS A 96 26.306 -8.033 19.472 1.00 0.00 H new ATOM 0 HD2 HIS A 96 29.157 -8.115 19.257 1.00 0.00 H new ATOM 0 HE1 HIS A 96 29.848 -6.256 23.004 1.00 0.00 H new ATOM 0 HE2 HIS A 96 30.923 -7.539 21.087 1.00 0.00 H new TER 1523 HIS A 96