USER MOD reduce.3.24.130724 H: found=0, std=0, add=928, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 928 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 21 SER OG : rot 161:sc= 1.3 USER MOD Set 1.2: A 82 THR OG1 : rot 180:sc= 0.39 USER MOD Set 1.3: A 101 GLN : amide:sc= 1.56 K(o=3.2,f=-0.57) USER MOD Set 2.1: A 62 LYS NZ :NH3+ -169:sc= 0.0362 (180deg=-0.468) USER MOD Set 2.2: A 64 THR OG1 : rot 180:sc= 0.176 USER MOD Set 3.1: A 27 ASN : amide:sc= 0.979 K(o=1.2,f=-3.5!) USER MOD Set 3.2: A 30 MET CE :methyl -172:sc= -0.181 (180deg=-0.247) USER MOD Set 3.3: A 36 THR OG1 : rot -43:sc= 0.362 USER MOD Set 4.1: A 17 ASN : amide:sc= 0.435 K(o=2.4,f=1.1) USER MOD Set 4.2: A 25 TYR OH : rot 156:sc= 1.92 USER MOD Single : A 1 LYS N :NH3+ -179:sc= 0 (180deg=-0.00295) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot -55:sc= 0.00193 USER MOD Single : A 7 LYS NZ :NH3+ -166:sc= 0.17 (180deg=0.123) USER MOD Single : A 11 GLN : amide:sc= 0.561 K(o=0.56,f=0) USER MOD Single : A 12 HIS : no HE2:sc= -0.0934 K(o=-0.093,f=-1.9) USER MOD Single : A 13 MET CE :methyl -119:sc= -0.0167 (180deg=-0.0904) USER MOD Single : A 15 SER OG : rot 180:sc= 0.205 USER MOD Single : A 18 SER OG : rot 180:sc= -0.0876 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -84:sc= 1.38 USER MOD Single : A 23 SER OG : rot 180:sc= 0.053 USER MOD Single : A 24 ASN : amide:sc= -0.0625! X(o=-0.063!,f=-0.047) USER MOD Single : A 29 MET CE :methyl 175:sc= -0.0946 (180deg=-0.12) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 180:sc= 0.75 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -138:sc= -0.0743 (180deg=-1.08) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.598 X(o=-0.6,f=-0.5) USER MOD Single : A 45 THR OG1 : rot 148:sc= 0.59 USER MOD Single : A 48 HIS : no HE2:sc= 0.418 K(o=0.42,f=-2.4!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0.201 K(o=0.2,f=-0.98) USER MOD Single : A 61 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0387) USER MOD Single : A 66 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0313) USER MOD Single : A 69 GLN : amide:sc= 0.955 K(o=0.96,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0306 USER MOD Single : A 71 ASN : amide:sc= -0.283 X(o=-0.28,f=-0.39) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.447 K(o=-0.45,f=-5.9!) USER MOD Single : A 75 SER OG : rot -115:sc= 0.991 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 18:sc= 0.5 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0662 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 135:sc= 1.84 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 151:sc= 0.453 USER MOD Single : A 94 ASN : amide:sc= 0.374 X(o=0.37,f=-0.017) USER MOD Single : A 97 TYR OH : rot 133:sc= 0.315 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 12:sc= 0.345 USER MOD Single : A 100 THR OG1 : rot -120:sc= 1.28 USER MOD Single : A 104 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0454) USER MOD Single : A 105 HIS : no HE2:sc= 0.193 K(o=0.19,f=-1.9) USER MOD Single : A 113 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0696) USER MOD Single : A 115 SER OG : rot 58:sc= 0.18 USER MOD Single : A 119 HIS : no HE2:sc= 0.744 K(o=0.74,f=-2.9!) USER MOD Single : A 123 SER OG : rot 35:sc= 0.336 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -15.223 -10.279 10.286 1.00 0.00 N ATOM 2 CA LYS A 1 -14.961 -9.789 8.918 1.00 0.00 C ATOM 3 C LYS A 1 -13.462 -9.576 8.681 1.00 0.00 C ATOM 4 O LYS A 1 -12.950 -9.915 7.616 1.00 0.00 O ATOM 5 CB LYS A 1 -15.776 -8.521 8.631 1.00 0.00 C ATOM 6 CG LYS A 1 -15.738 -8.144 7.143 1.00 0.00 C ATOM 7 CD LYS A 1 -16.650 -6.942 6.878 1.00 0.00 C ATOM 8 CE LYS A 1 -16.633 -6.576 5.390 1.00 0.00 C ATOM 9 NZ LYS A 1 -17.524 -5.437 5.106 1.00 0.00 N ATOM 0 H1 LYS A 1 -16.244 -10.430 10.411 1.00 0.00 H new ATOM 0 H2 LYS A 1 -14.719 -11.177 10.436 1.00 0.00 H new ATOM 0 H3 LYS A 1 -14.890 -9.576 10.976 1.00 0.00 H new ATOM 0 HA LYS A 1 -15.286 -10.553 8.212 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -16.810 -8.675 8.941 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -15.385 -7.695 9.225 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -14.716 -7.907 6.847 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -16.057 -8.992 6.537 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -17.668 -7.174 7.190 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -16.321 -6.090 7.472 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -15.616 -6.329 5.086 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -16.942 -7.438 4.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -17.490 -5.214 4.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -18.498 -5.683 5.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -17.214 -4.609 5.653 1.00 0.00 H new ATOM 25 N GLU A 2 -12.759 -9.019 9.674 1.00 0.00 N ATOM 26 CA GLU A 2 -11.316 -8.909 9.652 1.00 0.00 C ATOM 27 C GLU A 2 -10.701 -10.272 9.334 1.00 0.00 C ATOM 28 O GLU A 2 -11.032 -11.266 9.975 1.00 0.00 O ATOM 29 CB GLU A 2 -10.799 -8.375 10.996 1.00 0.00 C ATOM 30 CG GLU A 2 -9.272 -8.177 10.992 1.00 0.00 C ATOM 31 CD GLU A 2 -8.757 -7.674 12.339 1.00 0.00 C ATOM 32 OE1 GLU A 2 -9.496 -6.903 12.988 1.00 0.00 O ATOM 33 OE2 GLU A 2 -7.615 -8.047 12.682 1.00 0.00 O ATOM 0 H GLU A 2 -13.188 -8.633 10.515 1.00 0.00 H new ATOM 0 HA GLU A 2 -11.022 -8.203 8.875 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -11.287 -7.426 11.220 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -11.072 -9.069 11.791 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -8.785 -9.121 10.747 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -9.001 -7.466 10.212 1.00 0.00 H new ATOM 40 N SER A 3 -9.789 -10.302 8.363 1.00 0.00 N ATOM 41 CA SER A 3 -9.020 -11.489 8.016 1.00 0.00 C ATOM 42 C SER A 3 -7.621 -11.034 7.604 1.00 0.00 C ATOM 43 O SER A 3 -7.034 -11.548 6.657 1.00 0.00 O ATOM 44 CB SER A 3 -9.764 -12.258 6.918 1.00 0.00 C ATOM 45 OG SER A 3 -9.276 -13.582 6.811 1.00 0.00 O ATOM 0 H SER A 3 -9.563 -9.489 7.789 1.00 0.00 H new ATOM 0 HA SER A 3 -8.910 -12.176 8.856 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.831 -12.276 7.140 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.646 -11.744 5.964 1.00 0.00 H new ATOM 0 HG SER A 3 -8.306 -13.563 6.675 1.00 0.00 H new ATOM 51 N ALA A 4 -7.126 -10.002 8.298 1.00 0.00 N ATOM 52 CA ALA A 4 -5.871 -9.302 8.071 1.00 0.00 C ATOM 53 C ALA A 4 -5.884 -8.537 6.746 1.00 0.00 C ATOM 54 O ALA A 4 -5.797 -7.310 6.725 1.00 0.00 O ATOM 55 CB ALA A 4 -4.688 -10.265 8.189 1.00 0.00 C ATOM 0 H ALA A 4 -7.636 -9.611 9.090 1.00 0.00 H new ATOM 0 HA ALA A 4 -5.750 -8.550 8.851 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -3.759 -9.722 8.016 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -4.673 -10.702 9.188 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -4.789 -11.058 7.448 1.00 0.00 H new ATOM 61 N ALA A 5 -6.028 -9.260 5.638 1.00 0.00 N ATOM 62 CA ALA A 5 -5.949 -8.726 4.291 1.00 0.00 C ATOM 63 C ALA A 5 -6.944 -7.598 4.063 1.00 0.00 C ATOM 64 O ALA A 5 -6.583 -6.566 3.509 1.00 0.00 O ATOM 65 CB ALA A 5 -6.165 -9.843 3.275 1.00 0.00 C ATOM 0 H ALA A 5 -6.208 -10.264 5.659 1.00 0.00 H new ATOM 0 HA ALA A 5 -4.952 -8.305 4.159 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -6.104 -9.434 2.266 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -5.397 -10.606 3.404 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -7.148 -10.288 3.427 1.00 0.00 H new ATOM 71 N ALA A 6 -8.186 -7.766 4.517 1.00 0.00 N ATOM 72 CA ALA A 6 -9.182 -6.704 4.449 1.00 0.00 C ATOM 73 C ALA A 6 -8.633 -5.416 5.073 1.00 0.00 C ATOM 74 O ALA A 6 -8.752 -4.334 4.498 1.00 0.00 O ATOM 75 CB ALA A 6 -10.464 -7.155 5.152 1.00 0.00 C ATOM 0 H ALA A 6 -8.524 -8.632 4.937 1.00 0.00 H new ATOM 0 HA ALA A 6 -9.415 -6.495 3.405 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -11.207 -6.359 5.100 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.853 -8.047 4.662 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -10.246 -7.380 6.196 1.00 0.00 H new ATOM 81 N LYS A 7 -8.006 -5.541 6.244 1.00 0.00 N ATOM 82 CA LYS A 7 -7.431 -4.417 6.957 1.00 0.00 C ATOM 83 C LYS A 7 -6.246 -3.831 6.189 1.00 0.00 C ATOM 84 O LYS A 7 -6.113 -2.610 6.087 1.00 0.00 O ATOM 85 CB LYS A 7 -7.018 -4.871 8.364 1.00 0.00 C ATOM 86 CG LYS A 7 -7.189 -3.701 9.330 1.00 0.00 C ATOM 87 CD LYS A 7 -6.444 -3.902 10.657 1.00 0.00 C ATOM 88 CE LYS A 7 -6.971 -5.122 11.416 1.00 0.00 C ATOM 89 NZ LYS A 7 -6.318 -5.270 12.729 1.00 0.00 N ATOM 0 H LYS A 7 -7.886 -6.435 6.721 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.176 -3.626 7.046 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.629 -5.715 8.682 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.982 -5.210 8.362 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.830 -2.789 8.853 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.250 -3.558 9.534 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.379 -4.025 10.462 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.554 -3.012 11.276 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.048 -5.028 11.554 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.803 -6.021 10.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.516 -6.217 13.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.291 -5.147 12.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.686 -4.550 13.383 1.00 0.00 H new ATOM 103 N PHE A 8 -5.366 -4.703 5.688 1.00 0.00 N ATOM 104 CA PHE A 8 -4.227 -4.316 4.865 1.00 0.00 C ATOM 105 C PHE A 8 -4.713 -3.479 3.682 1.00 0.00 C ATOM 106 O PHE A 8 -4.207 -2.384 3.444 1.00 0.00 O ATOM 107 CB PHE A 8 -3.469 -5.563 4.390 1.00 0.00 C ATOM 108 CG PHE A 8 -2.358 -5.295 3.390 1.00 0.00 C ATOM 109 CD1 PHE A 8 -1.325 -4.387 3.694 1.00 0.00 C ATOM 110 CD2 PHE A 8 -2.371 -5.940 2.139 1.00 0.00 C ATOM 111 CE1 PHE A 8 -0.330 -4.109 2.741 1.00 0.00 C ATOM 112 CE2 PHE A 8 -1.357 -5.688 1.201 1.00 0.00 C ATOM 113 CZ PHE A 8 -0.341 -4.768 1.499 1.00 0.00 C ATOM 0 H PHE A 8 -5.429 -5.709 5.847 1.00 0.00 H new ATOM 0 HA PHE A 8 -3.538 -3.712 5.455 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -3.042 -6.064 5.259 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.182 -6.255 3.942 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -1.297 -3.904 4.660 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -3.165 -6.632 1.899 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.444 -3.389 2.963 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.359 -6.202 0.251 1.00 0.00 H new ATOM 0 HZ PHE A 8 0.433 -4.566 0.774 1.00 0.00 H new ATOM 123 N GLU A 9 -5.728 -3.976 2.972 1.00 0.00 N ATOM 124 CA GLU A 9 -6.344 -3.300 1.858 1.00 0.00 C ATOM 125 C GLU A 9 -6.815 -1.931 2.349 1.00 0.00 C ATOM 126 O GLU A 9 -6.344 -0.909 1.857 1.00 0.00 O ATOM 127 CB GLU A 9 -7.515 -4.160 1.354 1.00 0.00 C ATOM 128 CG GLU A 9 -7.199 -4.893 0.045 1.00 0.00 C ATOM 129 CD GLU A 9 -6.244 -6.062 0.271 1.00 0.00 C ATOM 130 OE1 GLU A 9 -5.024 -5.798 0.323 1.00 0.00 O ATOM 131 OE2 GLU A 9 -6.752 -7.199 0.376 1.00 0.00 O ATOM 0 H GLU A 9 -6.146 -4.885 3.172 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.650 -3.157 1.030 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.778 -4.891 2.119 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.388 -3.525 1.207 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.124 -5.259 -0.400 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.758 -4.195 -0.666 1.00 0.00 H new ATOM 138 N ARG A 10 -7.720 -1.912 3.334 1.00 0.00 N ATOM 139 CA ARG A 10 -8.330 -0.681 3.828 1.00 0.00 C ATOM 140 C ARG A 10 -7.264 0.388 4.099 1.00 0.00 C ATOM 141 O ARG A 10 -7.374 1.513 3.617 1.00 0.00 O ATOM 142 CB ARG A 10 -9.182 -0.974 5.077 1.00 0.00 C ATOM 143 CG ARG A 10 -10.430 -0.086 5.205 1.00 0.00 C ATOM 144 CD ARG A 10 -10.147 1.419 5.270 1.00 0.00 C ATOM 145 NE ARG A 10 -9.232 1.764 6.369 1.00 0.00 N ATOM 146 CZ ARG A 10 -9.607 2.143 7.599 1.00 0.00 C ATOM 147 NH1 ARG A 10 -10.883 2.036 7.984 1.00 0.00 N ATOM 148 NH2 ARG A 10 -8.700 2.639 8.445 1.00 0.00 N ATOM 0 H ARG A 10 -8.048 -2.753 3.809 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.992 -0.283 3.059 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -9.493 -2.019 5.055 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -8.563 -0.844 5.965 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.086 -0.281 4.356 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -10.975 -0.378 6.103 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -9.716 1.747 4.324 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -11.085 1.959 5.398 1.00 0.00 H new ATOM 0 HE ARG A 10 -8.231 1.711 6.180 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -11.581 1.663 7.340 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.159 2.327 8.922 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -7.726 2.728 8.154 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -8.981 2.929 9.382 1.00 0.00 H new ATOM 162 N GLN A 11 -6.233 0.050 4.878 1.00 0.00 N ATOM 163 CA GLN A 11 -5.248 1.041 5.292 1.00 0.00 C ATOM 164 C GLN A 11 -4.234 1.382 4.192 1.00 0.00 C ATOM 165 O GLN A 11 -3.793 2.528 4.109 1.00 0.00 O ATOM 166 CB GLN A 11 -4.566 0.586 6.591 1.00 0.00 C ATOM 167 CG GLN A 11 -3.518 -0.511 6.374 1.00 0.00 C ATOM 168 CD GLN A 11 -3.212 -1.249 7.669 1.00 0.00 C ATOM 169 OE1 GLN A 11 -2.182 -1.034 8.296 1.00 0.00 O ATOM 170 NE2 GLN A 11 -4.120 -2.131 8.070 1.00 0.00 N ATOM 0 H GLN A 11 -6.063 -0.892 5.229 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.779 1.974 5.484 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.090 1.445 7.063 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -5.325 0.222 7.283 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -3.878 -1.218 5.627 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.603 -0.069 5.980 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -4.965 -2.280 7.518 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.973 -2.659 8.930 1.00 0.00 H new ATOM 179 N HIS A 12 -3.807 0.387 3.403 1.00 0.00 N ATOM 180 CA HIS A 12 -2.652 0.508 2.519 1.00 0.00 C ATOM 181 C HIS A 12 -3.033 0.731 1.054 1.00 0.00 C ATOM 182 O HIS A 12 -2.358 1.492 0.366 1.00 0.00 O ATOM 183 CB HIS A 12 -1.757 -0.730 2.669 1.00 0.00 C ATOM 184 CG HIS A 12 -0.334 -0.484 2.236 1.00 0.00 C ATOM 185 ND1 HIS A 12 0.656 0.095 3.008 1.00 0.00 N ATOM 186 CD2 HIS A 12 0.206 -0.807 1.023 1.00 0.00 C ATOM 187 CE1 HIS A 12 1.783 0.118 2.276 1.00 0.00 C ATOM 188 NE2 HIS A 12 1.531 -0.422 1.069 1.00 0.00 N ATOM 0 H HIS A 12 -4.259 -0.527 3.364 1.00 0.00 H new ATOM 0 HA HIS A 12 -2.104 1.400 2.824 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -1.764 -1.052 3.710 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -2.174 -1.547 2.080 1.00 0.00 H new ATOM 0 HD1 HIS A 12 0.550 0.442 3.961 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -0.303 -1.272 0.192 1.00 0.00 H new ATOM 0 HE1 HIS A 12 2.736 0.507 2.603 1.00 0.00 H new ATOM 197 N MET A 13 -4.067 0.051 0.552 1.00 0.00 N ATOM 198 CA MET A 13 -4.456 0.141 -0.850 1.00 0.00 C ATOM 199 C MET A 13 -5.217 1.438 -1.121 1.00 0.00 C ATOM 200 O MET A 13 -5.929 1.964 -0.270 1.00 0.00 O ATOM 201 CB MET A 13 -5.291 -1.097 -1.257 1.00 0.00 C ATOM 202 CG MET A 13 -6.169 -0.893 -2.503 1.00 0.00 C ATOM 203 SD MET A 13 -7.211 -2.285 -2.990 1.00 0.00 S ATOM 204 CE MET A 13 -8.279 -1.398 -4.146 1.00 0.00 C ATOM 0 H MET A 13 -4.653 -0.573 1.106 1.00 0.00 H new ATOM 0 HA MET A 13 -3.553 0.156 -1.461 1.00 0.00 H new ATOM 0 HB2 MET A 13 -4.614 -1.932 -1.438 1.00 0.00 H new ATOM 0 HB3 MET A 13 -5.930 -1.380 -0.420 1.00 0.00 H new ATOM 0 HG2 MET A 13 -6.812 -0.030 -2.330 1.00 0.00 H new ATOM 0 HG3 MET A 13 -5.519 -0.644 -3.342 1.00 0.00 H new ATOM 0 HE1 MET A 13 -9.312 -1.450 -3.801 1.00 0.00 H new ATOM 0 HE2 MET A 13 -7.967 -0.355 -4.202 1.00 0.00 H new ATOM 0 HE3 MET A 13 -8.204 -1.853 -5.134 1.00 0.00 H new ATOM 214 N ASP A 14 -5.093 1.907 -2.364 1.00 0.00 N ATOM 215 CA ASP A 14 -5.950 2.904 -2.977 1.00 0.00 C ATOM 216 C ASP A 14 -5.587 2.899 -4.460 1.00 0.00 C ATOM 217 O ASP A 14 -4.424 3.109 -4.800 1.00 0.00 O ATOM 218 CB ASP A 14 -5.825 4.275 -2.302 1.00 0.00 C ATOM 219 CG ASP A 14 -6.181 5.423 -3.238 1.00 0.00 C ATOM 220 OD1 ASP A 14 -7.300 5.372 -3.793 1.00 0.00 O ATOM 221 OD2 ASP A 14 -5.328 6.324 -3.385 1.00 0.00 O ATOM 0 H ASP A 14 -4.358 1.583 -2.992 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.007 2.668 -2.851 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.477 4.307 -1.429 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -4.805 4.407 -1.942 1.00 0.00 H new ATOM 226 N SER A 15 -6.560 2.592 -5.323 1.00 0.00 N ATOM 227 CA SER A 15 -6.392 2.289 -6.734 1.00 0.00 C ATOM 228 C SER A 15 -6.085 3.545 -7.563 1.00 0.00 C ATOM 229 O SER A 15 -6.803 3.880 -8.505 1.00 0.00 O ATOM 230 CB SER A 15 -7.653 1.539 -7.191 1.00 0.00 C ATOM 231 OG SER A 15 -8.769 1.944 -6.411 1.00 0.00 O ATOM 0 H SER A 15 -7.537 2.548 -5.033 1.00 0.00 H new ATOM 0 HA SER A 15 -5.521 1.653 -6.892 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.844 1.740 -8.245 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.502 0.464 -7.094 1.00 0.00 H new ATOM 0 HG SER A 15 -9.569 1.463 -6.710 1.00 0.00 H new ATOM 237 N GLY A 16 -5.003 4.250 -7.223 1.00 0.00 N ATOM 238 CA GLY A 16 -4.715 5.561 -7.773 1.00 0.00 C ATOM 239 C GLY A 16 -5.809 6.521 -7.320 1.00 0.00 C ATOM 240 O GLY A 16 -5.746 7.048 -6.212 1.00 0.00 O ATOM 0 H GLY A 16 -4.305 3.920 -6.556 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.740 5.909 -7.433 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.676 5.516 -8.861 1.00 0.00 H new ATOM 244 N ASN A 17 -6.829 6.668 -8.168 1.00 0.00 N ATOM 245 CA ASN A 17 -8.073 7.386 -7.912 1.00 0.00 C ATOM 246 C ASN A 17 -7.891 8.904 -7.747 1.00 0.00 C ATOM 247 O ASN A 17 -6.855 9.376 -7.288 1.00 0.00 O ATOM 248 CB ASN A 17 -8.826 6.746 -6.735 1.00 0.00 C ATOM 249 CG ASN A 17 -9.999 7.604 -6.277 1.00 0.00 C ATOM 250 OD1 ASN A 17 -10.979 7.750 -6.999 1.00 0.00 O ATOM 251 ND2 ASN A 17 -9.884 8.224 -5.108 1.00 0.00 N ATOM 0 H ASN A 17 -6.804 6.265 -9.105 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.689 7.285 -8.806 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.189 5.761 -7.029 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -8.139 6.597 -5.902 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.626 8.845 -4.785 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.054 8.079 -4.533 1.00 0.00 H new ATOM 258 N SER A 18 -8.938 9.655 -8.110 1.00 0.00 N ATOM 259 CA SER A 18 -9.063 11.101 -7.937 1.00 0.00 C ATOM 260 C SER A 18 -8.214 11.886 -8.950 1.00 0.00 C ATOM 261 O SER A 18 -7.091 11.483 -9.255 1.00 0.00 O ATOM 262 CB SER A 18 -8.707 11.501 -6.499 1.00 0.00 C ATOM 263 OG SER A 18 -9.326 12.720 -6.147 1.00 0.00 O ATOM 0 H SER A 18 -9.760 9.247 -8.554 1.00 0.00 H new ATOM 0 HA SER A 18 -10.104 11.362 -8.128 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.022 10.717 -5.811 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.626 11.596 -6.401 1.00 0.00 H new ATOM 0 HG SER A 18 -9.087 12.955 -5.226 1.00 0.00 H new ATOM 269 N PRO A 19 -8.711 13.013 -9.485 1.00 0.00 N ATOM 270 CA PRO A 19 -7.881 13.915 -10.263 1.00 0.00 C ATOM 271 C PRO A 19 -6.860 14.580 -9.333 1.00 0.00 C ATOM 272 O PRO A 19 -7.117 14.743 -8.142 1.00 0.00 O ATOM 273 CB PRO A 19 -8.850 14.936 -10.865 1.00 0.00 C ATOM 274 CG PRO A 19 -9.965 15.008 -9.821 1.00 0.00 C ATOM 275 CD PRO A 19 -10.042 13.572 -9.298 1.00 0.00 C ATOM 0 HA PRO A 19 -7.317 13.412 -11.048 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.374 15.905 -11.015 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -9.226 14.612 -11.836 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.728 15.715 -9.026 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.909 15.328 -10.261 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -10.331 13.553 -8.247 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.789 12.996 -9.844 1.00 0.00 H new ATOM 283 N SER A 20 -5.707 14.985 -9.876 1.00 0.00 N ATOM 284 CA SER A 20 -4.635 15.619 -9.120 1.00 0.00 C ATOM 285 C SER A 20 -4.201 14.739 -7.940 1.00 0.00 C ATOM 286 O SER A 20 -4.379 15.103 -6.775 1.00 0.00 O ATOM 287 CB SER A 20 -5.053 17.030 -8.695 1.00 0.00 C ATOM 288 OG SER A 20 -3.939 17.759 -8.216 1.00 0.00 O ATOM 0 H SER A 20 -5.495 14.878 -10.868 1.00 0.00 H new ATOM 0 HA SER A 20 -3.757 15.725 -9.758 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.499 17.553 -9.541 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.816 16.970 -7.919 1.00 0.00 H new ATOM 0 HG SER A 20 -4.226 18.658 -7.951 1.00 0.00 H new ATOM 294 N SER A 21 -3.593 13.592 -8.256 1.00 0.00 N ATOM 295 CA SER A 21 -2.973 12.654 -7.331 1.00 0.00 C ATOM 296 C SER A 21 -1.740 13.304 -6.685 1.00 0.00 C ATOM 297 O SER A 21 -0.597 12.935 -6.946 1.00 0.00 O ATOM 298 CB SER A 21 -2.642 11.388 -8.134 1.00 0.00 C ATOM 299 OG SER A 21 -2.308 11.745 -9.468 1.00 0.00 O ATOM 0 H SER A 21 -3.519 13.280 -9.224 1.00 0.00 H new ATOM 0 HA SER A 21 -3.634 12.383 -6.508 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.811 10.857 -7.670 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.495 10.709 -8.131 1.00 0.00 H new ATOM 0 HG SER A 21 -1.818 11.009 -9.891 1.00 0.00 H new ATOM 305 N SER A 22 -2.005 14.300 -5.846 1.00 0.00 N ATOM 306 CA SER A 22 -1.071 15.259 -5.293 1.00 0.00 C ATOM 307 C SER A 22 -0.723 14.938 -3.840 1.00 0.00 C ATOM 308 O SER A 22 -1.331 14.079 -3.202 1.00 0.00 O ATOM 309 CB SER A 22 -1.783 16.617 -5.363 1.00 0.00 C ATOM 310 OG SER A 22 -3.060 16.506 -4.751 1.00 0.00 O ATOM 0 H SER A 22 -2.955 14.465 -5.513 1.00 0.00 H new ATOM 0 HA SER A 22 -0.134 15.246 -5.850 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.189 17.379 -4.858 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.890 16.932 -6.401 1.00 0.00 H new ATOM 0 HG SER A 22 -3.704 16.154 -5.400 1.00 0.00 H new ATOM 316 N SER A 23 0.237 15.677 -3.277 1.00 0.00 N ATOM 317 CA SER A 23 0.478 15.658 -1.847 1.00 0.00 C ATOM 318 C SER A 23 -0.857 15.852 -1.120 1.00 0.00 C ATOM 319 O SER A 23 -1.205 15.087 -0.225 1.00 0.00 O ATOM 320 CB SER A 23 1.482 16.767 -1.515 1.00 0.00 C ATOM 321 OG SER A 23 2.501 16.777 -2.502 1.00 0.00 O ATOM 0 H SER A 23 0.858 16.295 -3.799 1.00 0.00 H new ATOM 0 HA SER A 23 0.899 14.707 -1.522 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.979 17.733 -1.483 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.915 16.600 -0.529 1.00 0.00 H new ATOM 0 HG SER A 23 3.147 17.485 -2.298 1.00 0.00 H new ATOM 327 N ASN A 24 -1.644 16.841 -1.555 1.00 0.00 N ATOM 328 CA ASN A 24 -2.939 17.120 -0.954 1.00 0.00 C ATOM 329 C ASN A 24 -3.871 15.920 -1.053 1.00 0.00 C ATOM 330 O ASN A 24 -4.534 15.604 -0.066 1.00 0.00 O ATOM 331 CB ASN A 24 -3.571 18.378 -1.566 1.00 0.00 C ATOM 332 CG ASN A 24 -4.669 19.017 -0.706 1.00 0.00 C ATOM 333 OD1 ASN A 24 -4.831 20.231 -0.740 1.00 0.00 O ATOM 334 ND2 ASN A 24 -5.434 18.259 0.076 1.00 0.00 N ATOM 0 H ASN A 24 -1.399 17.462 -2.326 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.777 17.314 0.106 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.788 19.115 -1.740 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.991 18.123 -2.539 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.159 18.688 0.651 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -5.295 17.249 0.101 1.00 0.00 H new ATOM 341 N TYR A 25 -3.931 15.248 -2.207 1.00 0.00 N ATOM 342 CA TYR A 25 -4.702 14.016 -2.333 1.00 0.00 C ATOM 343 C TYR A 25 -4.329 13.035 -1.224 1.00 0.00 C ATOM 344 O TYR A 25 -5.188 12.461 -0.556 1.00 0.00 O ATOM 345 CB TYR A 25 -4.424 13.355 -3.685 1.00 0.00 C ATOM 346 CG TYR A 25 -5.187 12.063 -3.936 1.00 0.00 C ATOM 347 CD1 TYR A 25 -6.563 11.971 -3.652 1.00 0.00 C ATOM 348 CD2 TYR A 25 -4.475 10.898 -4.288 1.00 0.00 C ATOM 349 CE1 TYR A 25 -7.218 10.729 -3.725 1.00 0.00 C ATOM 350 CE2 TYR A 25 -5.142 9.668 -4.409 1.00 0.00 C ATOM 351 CZ TYR A 25 -6.520 9.587 -4.150 1.00 0.00 C ATOM 352 OH TYR A 25 -7.190 8.414 -4.328 1.00 0.00 O ATOM 0 H TYR A 25 -3.456 15.538 -3.062 1.00 0.00 H new ATOM 0 HA TYR A 25 -5.759 14.271 -2.255 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -4.668 14.064 -4.476 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -3.356 13.149 -3.760 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.117 12.857 -3.377 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -3.411 10.952 -4.466 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -8.261 10.653 -3.454 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -4.595 8.784 -4.701 1.00 0.00 H new ATOM 0 HH TYR A 25 -6.699 7.850 -4.961 1.00 0.00 H new ATOM 362 N CYS A 26 -3.025 12.840 -1.043 1.00 0.00 N ATOM 363 CA CYS A 26 -2.525 11.841 -0.107 1.00 0.00 C ATOM 364 C CYS A 26 -2.857 12.239 1.328 1.00 0.00 C ATOM 365 O CYS A 26 -3.320 11.422 2.124 1.00 0.00 O ATOM 366 CB CYS A 26 -1.026 11.653 -0.298 1.00 0.00 C ATOM 367 SG CYS A 26 -0.269 10.550 0.908 1.00 0.00 S ATOM 0 H CYS A 26 -2.297 13.361 -1.533 1.00 0.00 H new ATOM 0 HA CYS A 26 -3.016 10.888 -0.307 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.844 11.261 -1.299 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.538 12.626 -0.243 1.00 0.00 H new ATOM 372 N ASN A 27 -2.649 13.520 1.641 1.00 0.00 N ATOM 373 CA ASN A 27 -2.950 14.059 2.959 1.00 0.00 C ATOM 374 C ASN A 27 -4.442 13.910 3.257 1.00 0.00 C ATOM 375 O ASN A 27 -4.822 13.459 4.336 1.00 0.00 O ATOM 376 CB ASN A 27 -2.471 15.508 3.099 1.00 0.00 C ATOM 377 CG ASN A 27 -0.966 15.561 3.348 1.00 0.00 C ATOM 378 OD1 ASN A 27 -0.523 15.794 4.465 1.00 0.00 O ATOM 379 ND2 ASN A 27 -0.168 15.319 2.317 1.00 0.00 N ATOM 0 H ASN A 27 -2.269 14.206 0.988 1.00 0.00 H new ATOM 0 HA ASN A 27 -2.400 13.484 3.704 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -2.714 16.065 2.194 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.997 15.992 3.922 1.00 0.00 H new ATOM 0 HD21 ASN A 27 0.844 15.324 2.443 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -0.566 15.128 1.398 1.00 0.00 H new ATOM 386 N LEU A 28 -5.292 14.253 2.285 1.00 0.00 N ATOM 387 CA LEU A 28 -6.726 14.036 2.378 1.00 0.00 C ATOM 388 C LEU A 28 -7.018 12.562 2.671 1.00 0.00 C ATOM 389 O LEU A 28 -7.738 12.260 3.621 1.00 0.00 O ATOM 390 CB LEU A 28 -7.409 14.518 1.090 1.00 0.00 C ATOM 391 CG LEU A 28 -8.888 14.113 0.994 1.00 0.00 C ATOM 392 CD1 LEU A 28 -9.726 14.745 2.112 1.00 0.00 C ATOM 393 CD2 LEU A 28 -9.439 14.549 -0.368 1.00 0.00 C ATOM 0 H LEU A 28 -4.997 14.690 1.412 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.134 14.617 3.205 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.333 15.604 1.032 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.873 14.115 0.231 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.952 13.030 1.104 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.765 14.434 2.008 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -9.345 14.420 3.080 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.664 15.831 2.044 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.489 14.265 -0.444 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.348 15.631 -0.468 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.873 14.062 -1.162 1.00 0.00 H new ATOM 405 N MET A 29 -6.474 11.649 1.858 1.00 0.00 N ATOM 406 CA MET A 29 -6.699 10.218 2.015 1.00 0.00 C ATOM 407 C MET A 29 -6.387 9.797 3.452 1.00 0.00 C ATOM 408 O MET A 29 -7.256 9.270 4.146 1.00 0.00 O ATOM 409 CB MET A 29 -5.875 9.439 0.976 1.00 0.00 C ATOM 410 CG MET A 29 -6.295 7.969 0.806 1.00 0.00 C ATOM 411 SD MET A 29 -6.026 6.849 2.209 1.00 0.00 S ATOM 412 CE MET A 29 -6.400 5.267 1.419 1.00 0.00 C ATOM 0 H MET A 29 -5.866 11.887 1.074 1.00 0.00 H new ATOM 0 HA MET A 29 -7.748 9.983 1.832 1.00 0.00 H new ATOM 0 HB2 MET A 29 -5.958 9.942 0.013 1.00 0.00 H new ATOM 0 HB3 MET A 29 -4.824 9.473 1.264 1.00 0.00 H new ATOM 0 HG2 MET A 29 -7.357 7.950 0.560 1.00 0.00 H new ATOM 0 HG3 MET A 29 -5.761 7.564 -0.054 1.00 0.00 H new ATOM 0 HE1 MET A 29 -6.198 4.455 2.117 1.00 0.00 H new ATOM 0 HE2 MET A 29 -7.451 5.244 1.129 1.00 0.00 H new ATOM 0 HE3 MET A 29 -5.777 5.146 0.533 1.00 0.00 H new ATOM 422 N MET A 30 -5.156 10.035 3.913 1.00 0.00 N ATOM 423 CA MET A 30 -4.747 9.579 5.234 1.00 0.00 C ATOM 424 C MET A 30 -5.554 10.266 6.341 1.00 0.00 C ATOM 425 O MET A 30 -5.859 9.640 7.354 1.00 0.00 O ATOM 426 CB MET A 30 -3.236 9.727 5.432 1.00 0.00 C ATOM 427 CG MET A 30 -2.805 11.184 5.608 1.00 0.00 C ATOM 428 SD MET A 30 -1.034 11.462 5.794 1.00 0.00 S ATOM 429 CE MET A 30 -1.046 13.166 6.407 1.00 0.00 C ATOM 0 H MET A 30 -4.435 10.536 3.393 1.00 0.00 H new ATOM 0 HA MET A 30 -4.970 8.514 5.303 1.00 0.00 H new ATOM 0 HB2 MET A 30 -2.930 9.153 6.307 1.00 0.00 H new ATOM 0 HB3 MET A 30 -2.717 9.300 4.574 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.154 11.753 4.746 1.00 0.00 H new ATOM 0 HG3 MET A 30 -3.311 11.589 6.484 1.00 0.00 H new ATOM 0 HE1 MET A 30 -0.026 13.547 6.442 1.00 0.00 H new ATOM 0 HE2 MET A 30 -1.644 13.788 5.741 1.00 0.00 H new ATOM 0 HE3 MET A 30 -1.476 13.189 7.408 1.00 0.00 H new ATOM 439 N CYS A 31 -5.893 11.549 6.161 1.00 0.00 N ATOM 440 CA CYS A 31 -6.730 12.277 7.106 1.00 0.00 C ATOM 441 C CYS A 31 -8.090 11.593 7.233 1.00 0.00 C ATOM 442 O CYS A 31 -8.506 11.247 8.335 1.00 0.00 O ATOM 443 CB CYS A 31 -6.886 13.737 6.677 1.00 0.00 C ATOM 444 SG CYS A 31 -8.028 14.538 7.826 1.00 0.00 S ATOM 0 H CYS A 31 -5.594 12.103 5.359 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.247 12.269 8.083 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.920 14.242 6.686 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.267 13.796 5.658 1.00 0.00 H new ATOM 0 HG CYS A 31 -8.180 15.784 7.488 1.00 0.00 H new ATOM 450 N CYS A 32 -8.749 11.336 6.100 1.00 0.00 N ATOM 451 CA CYS A 32 -10.006 10.598 6.051 1.00 0.00 C ATOM 452 C CYS A 32 -9.860 9.224 6.712 1.00 0.00 C ATOM 453 O CYS A 32 -10.722 8.801 7.479 1.00 0.00 O ATOM 454 CB CYS A 32 -10.473 10.483 4.597 1.00 0.00 C ATOM 455 SG CYS A 32 -11.999 9.516 4.528 1.00 0.00 S ATOM 0 H CYS A 32 -8.418 11.639 5.184 1.00 0.00 H new ATOM 0 HA CYS A 32 -10.765 11.140 6.615 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -10.640 11.475 4.178 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -9.701 10.007 3.992 1.00 0.00 H new ATOM 0 HG CYS A 32 -12.397 9.420 3.294 1.00 0.00 H new ATOM 461 N ARG A 33 -8.743 8.544 6.444 1.00 0.00 N ATOM 462 CA ARG A 33 -8.407 7.264 7.059 1.00 0.00 C ATOM 463 C ARG A 33 -8.192 7.390 8.573 1.00 0.00 C ATOM 464 O ARG A 33 -8.385 6.424 9.306 1.00 0.00 O ATOM 465 CB ARG A 33 -7.155 6.685 6.373 1.00 0.00 C ATOM 466 CG ARG A 33 -7.172 5.156 6.269 1.00 0.00 C ATOM 467 CD ARG A 33 -7.841 4.665 4.976 1.00 0.00 C ATOM 468 NE ARG A 33 -9.264 5.026 4.910 1.00 0.00 N ATOM 469 CZ ARG A 33 -9.777 6.135 4.353 1.00 0.00 C ATOM 470 NH1 ARG A 33 -9.039 6.947 3.586 1.00 0.00 N ATOM 471 NH2 ARG A 33 -11.048 6.455 4.611 1.00 0.00 N ATOM 0 H ARG A 33 -8.039 8.874 5.784 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.248 6.585 6.919 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.069 7.109 5.373 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.269 6.995 6.928 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.150 4.780 6.311 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.700 4.742 7.128 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -7.321 5.089 4.117 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.740 3.582 4.906 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.926 4.371 5.327 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.058 6.730 3.411 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -9.458 7.782 3.177 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.610 5.861 5.221 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -11.457 7.293 4.198 1.00 0.00 H new ATOM 485 N LYS A 34 -7.722 8.560 9.021 1.00 0.00 N ATOM 486 CA LYS A 34 -7.297 8.875 10.381 1.00 0.00 C ATOM 487 C LYS A 34 -6.036 8.108 10.792 1.00 0.00 C ATOM 488 O LYS A 34 -5.595 8.200 11.936 1.00 0.00 O ATOM 489 CB LYS A 34 -8.444 8.724 11.392 1.00 0.00 C ATOM 490 CG LYS A 34 -9.661 9.557 10.975 1.00 0.00 C ATOM 491 CD LYS A 34 -10.724 9.533 12.077 1.00 0.00 C ATOM 492 CE LYS A 34 -11.945 10.351 11.643 1.00 0.00 C ATOM 493 NZ LYS A 34 -12.987 10.350 12.684 1.00 0.00 N ATOM 0 H LYS A 34 -7.624 9.362 8.398 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.019 9.929 10.388 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.728 7.674 11.471 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.106 9.038 12.380 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.356 10.585 10.777 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.079 9.164 10.048 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.020 8.505 12.286 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.312 9.940 13.000 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.642 11.376 11.430 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.351 9.940 10.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.801 10.912 12.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.292 9.373 12.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.605 10.765 13.558 1.00 0.00 H new ATOM 507 N MET A 35 -5.388 7.418 9.849 1.00 0.00 N ATOM 508 CA MET A 35 -4.168 6.669 10.119 1.00 0.00 C ATOM 509 C MET A 35 -3.023 7.613 10.502 1.00 0.00 C ATOM 510 O MET A 35 -2.078 7.199 11.165 1.00 0.00 O ATOM 511 CB MET A 35 -3.820 5.789 8.906 1.00 0.00 C ATOM 512 CG MET A 35 -4.166 4.320 9.174 1.00 0.00 C ATOM 513 SD MET A 35 -5.897 3.972 9.584 1.00 0.00 S ATOM 514 CE MET A 35 -5.751 2.242 10.082 1.00 0.00 C ATOM 0 H MET A 35 -5.698 7.366 8.879 1.00 0.00 H new ATOM 0 HA MET A 35 -4.328 6.011 10.973 1.00 0.00 H new ATOM 0 HB2 MET A 35 -4.365 6.140 8.030 1.00 0.00 H new ATOM 0 HB3 MET A 35 -2.758 5.880 8.679 1.00 0.00 H new ATOM 0 HG2 MET A 35 -3.898 3.738 8.292 1.00 0.00 H new ATOM 0 HG3 MET A 35 -3.541 3.964 9.993 1.00 0.00 H new ATOM 0 HE1 MET A 35 -6.731 1.862 10.370 1.00 0.00 H new ATOM 0 HE2 MET A 35 -5.364 1.655 9.249 1.00 0.00 H new ATOM 0 HE3 MET A 35 -5.069 2.163 10.929 1.00 0.00 H new ATOM 524 N THR A 36 -3.120 8.880 10.093 1.00 0.00 N ATOM 525 CA THR A 36 -2.177 9.923 10.460 1.00 0.00 C ATOM 526 C THR A 36 -2.446 10.545 11.834 1.00 0.00 C ATOM 527 O THR A 36 -1.729 11.471 12.214 1.00 0.00 O ATOM 528 CB THR A 36 -2.189 11.002 9.370 1.00 0.00 C ATOM 529 OG1 THR A 36 -1.040 11.804 9.497 1.00 0.00 O ATOM 530 CG2 THR A 36 -3.456 11.870 9.398 1.00 0.00 C ATOM 0 H THR A 36 -3.872 9.209 9.487 1.00 0.00 H new ATOM 0 HA THR A 36 -1.193 9.460 10.538 1.00 0.00 H new ATOM 0 HB THR A 36 -2.189 10.494 8.406 1.00 0.00 H new ATOM 0 HG1 THR A 36 -0.883 12.003 10.444 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.405 12.614 8.603 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.332 11.239 9.249 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.531 12.373 10.362 1.00 0.00 H new ATOM 538 N GLN A 37 -3.511 10.144 12.538 1.00 0.00 N ATOM 539 CA GLN A 37 -3.875 10.787 13.791 1.00 0.00 C ATOM 540 C GLN A 37 -2.828 10.462 14.861 1.00 0.00 C ATOM 541 O GLN A 37 -2.282 9.360 14.891 1.00 0.00 O ATOM 542 CB GLN A 37 -5.285 10.337 14.199 1.00 0.00 C ATOM 543 CG GLN A 37 -5.854 11.160 15.361 1.00 0.00 C ATOM 544 CD GLN A 37 -7.294 10.756 15.671 1.00 0.00 C ATOM 545 OE1 GLN A 37 -8.182 10.905 14.838 1.00 0.00 O ATOM 546 NE2 GLN A 37 -7.548 10.245 16.873 1.00 0.00 N ATOM 0 H GLN A 37 -4.128 9.382 12.258 1.00 0.00 H new ATOM 0 HA GLN A 37 -3.892 11.870 13.673 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.951 10.419 13.340 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.259 9.285 14.483 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -5.235 11.019 16.247 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -5.817 12.220 15.112 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -6.792 10.131 17.549 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -8.498 9.967 17.119 1.00 0.00 H new ATOM 555 N GLY A 38 -2.520 11.417 15.741 1.00 0.00 N ATOM 556 CA GLY A 38 -1.587 11.200 16.837 1.00 0.00 C ATOM 557 C GLY A 38 -0.150 11.389 16.362 1.00 0.00 C ATOM 558 O GLY A 38 0.597 12.163 16.958 1.00 0.00 O ATOM 0 H GLY A 38 -2.912 12.358 15.710 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -1.802 11.895 17.648 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.715 10.194 17.237 1.00 0.00 H new ATOM 562 N LYS A 39 0.235 10.702 15.286 1.00 0.00 N ATOM 563 CA LYS A 39 1.521 10.884 14.638 1.00 0.00 C ATOM 564 C LYS A 39 1.351 10.551 13.160 1.00 0.00 C ATOM 565 O LYS A 39 0.566 9.675 12.805 1.00 0.00 O ATOM 566 CB LYS A 39 2.600 9.988 15.268 1.00 0.00 C ATOM 567 CG LYS A 39 2.049 8.730 15.956 1.00 0.00 C ATOM 568 CD LYS A 39 3.138 7.702 16.300 1.00 0.00 C ATOM 569 CE LYS A 39 4.194 8.219 17.288 1.00 0.00 C ATOM 570 NZ LYS A 39 5.269 8.974 16.618 1.00 0.00 N ATOM 0 H LYS A 39 -0.350 9.996 14.839 1.00 0.00 H new ATOM 0 HA LYS A 39 1.850 11.915 14.764 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.304 9.686 14.493 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.161 10.572 15.998 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.531 9.021 16.870 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.310 8.263 15.306 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.666 6.814 16.720 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.636 7.393 15.381 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.713 8.857 18.029 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.627 7.376 17.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.187 8.709 17.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.267 8.753 15.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.112 9.993 16.751 1.00 0.00 H new ATOM 584 N CYS A 40 2.113 11.235 12.306 1.00 0.00 N ATOM 585 CA CYS A 40 2.205 10.894 10.895 1.00 0.00 C ATOM 586 C CYS A 40 2.765 9.473 10.775 1.00 0.00 C ATOM 587 O CYS A 40 3.712 9.127 11.482 1.00 0.00 O ATOM 588 CB CYS A 40 3.154 11.857 10.171 1.00 0.00 C ATOM 589 SG CYS A 40 2.905 13.642 10.339 1.00 0.00 S ATOM 0 H CYS A 40 2.681 12.038 12.577 1.00 0.00 H new ATOM 0 HA CYS A 40 1.215 10.964 10.444 1.00 0.00 H new ATOM 0 HB2 CYS A 40 4.166 11.635 10.509 1.00 0.00 H new ATOM 0 HB3 CYS A 40 3.113 11.619 9.108 1.00 0.00 H new ATOM 594 N LYS A 41 2.215 8.651 9.879 1.00 0.00 N ATOM 595 CA LYS A 41 2.840 7.378 9.540 1.00 0.00 C ATOM 596 C LYS A 41 4.187 7.642 8.849 1.00 0.00 C ATOM 597 O LYS A 41 4.352 8.702 8.245 1.00 0.00 O ATOM 598 CB LYS A 41 1.924 6.594 8.590 1.00 0.00 C ATOM 599 CG LYS A 41 0.677 6.037 9.283 1.00 0.00 C ATOM 600 CD LYS A 41 -0.017 4.999 8.390 1.00 0.00 C ATOM 601 CE LYS A 41 -0.458 5.590 7.042 1.00 0.00 C ATOM 602 NZ LYS A 41 -1.300 4.646 6.288 1.00 0.00 N ATOM 0 H LYS A 41 1.346 8.844 9.381 1.00 0.00 H new ATOM 0 HA LYS A 41 3.002 6.798 10.448 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.617 7.245 7.771 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.486 5.771 8.150 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.955 5.580 10.233 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.013 6.849 9.510 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.661 4.164 8.214 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.887 4.599 8.911 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.009 6.515 7.212 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.421 5.847 6.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.580 5.077 5.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.765 3.773 6.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.151 4.421 6.842 1.00 0.00 H new ATOM 616 N PRO A 42 5.123 6.681 8.836 1.00 0.00 N ATOM 617 CA PRO A 42 6.358 6.807 8.075 1.00 0.00 C ATOM 618 C PRO A 42 6.092 6.869 6.562 1.00 0.00 C ATOM 619 O PRO A 42 6.263 7.918 5.937 1.00 0.00 O ATOM 620 CB PRO A 42 7.224 5.614 8.501 1.00 0.00 C ATOM 621 CG PRO A 42 6.230 4.583 9.040 1.00 0.00 C ATOM 622 CD PRO A 42 5.090 5.439 9.591 1.00 0.00 C ATOM 0 HA PRO A 42 6.877 7.743 8.284 1.00 0.00 H new ATOM 0 HB2 PRO A 42 7.790 5.215 7.659 1.00 0.00 H new ATOM 0 HB3 PRO A 42 7.947 5.902 9.264 1.00 0.00 H new ATOM 0 HG2 PRO A 42 5.884 3.911 8.255 1.00 0.00 H new ATOM 0 HG3 PRO A 42 6.677 3.962 9.816 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.131 4.935 9.472 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.222 5.626 10.657 1.00 0.00 H new ATOM 630 N VAL A 43 5.692 5.739 5.972 1.00 0.00 N ATOM 631 CA VAL A 43 5.545 5.551 4.536 1.00 0.00 C ATOM 632 C VAL A 43 4.293 4.709 4.289 1.00 0.00 C ATOM 633 O VAL A 43 3.935 3.885 5.131 1.00 0.00 O ATOM 634 CB VAL A 43 6.797 4.850 3.971 1.00 0.00 C ATOM 635 CG1 VAL A 43 6.720 4.644 2.450 1.00 0.00 C ATOM 636 CG2 VAL A 43 8.087 5.620 4.289 1.00 0.00 C ATOM 0 H VAL A 43 5.454 4.903 6.506 1.00 0.00 H new ATOM 0 HA VAL A 43 5.442 6.512 4.033 1.00 0.00 H new ATOM 0 HB VAL A 43 6.823 3.878 4.463 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.626 4.147 2.104 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.854 4.028 2.210 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.626 5.611 1.956 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.941 5.087 3.871 1.00 0.00 H new ATOM 0 HG22 VAL A 43 8.032 6.617 3.853 1.00 0.00 H new ATOM 0 HG23 VAL A 43 8.205 5.702 5.370 1.00 0.00 H new ATOM 646 N ASN A 44 3.649 4.893 3.134 1.00 0.00 N ATOM 647 CA ASN A 44 2.613 4.009 2.624 1.00 0.00 C ATOM 648 C ASN A 44 2.756 3.928 1.106 1.00 0.00 C ATOM 649 O ASN A 44 3.558 4.644 0.502 1.00 0.00 O ATOM 650 CB ASN A 44 1.210 4.456 3.065 1.00 0.00 C ATOM 651 CG ASN A 44 0.700 5.689 2.323 1.00 0.00 C ATOM 652 OD1 ASN A 44 0.748 6.796 2.848 1.00 0.00 O ATOM 653 ND2 ASN A 44 0.167 5.510 1.118 1.00 0.00 N ATOM 0 H ASN A 44 3.843 5.682 2.517 1.00 0.00 H new ATOM 0 HA ASN A 44 2.739 3.011 3.045 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.511 3.634 2.911 1.00 0.00 H new ATOM 0 HB3 ASN A 44 1.224 4.666 4.135 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.215 6.305 0.606 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.141 4.578 0.705 1.00 0.00 H new ATOM 660 N THR A 45 2.005 3.027 0.472 1.00 0.00 N ATOM 661 CA THR A 45 2.069 2.845 -0.967 1.00 0.00 C ATOM 662 C THR A 45 0.688 2.432 -1.459 1.00 0.00 C ATOM 663 O THR A 45 0.329 1.257 -1.425 1.00 0.00 O ATOM 664 CB THR A 45 3.181 1.847 -1.316 1.00 0.00 C ATOM 665 OG1 THR A 45 4.409 2.293 -0.771 1.00 0.00 O ATOM 666 CG2 THR A 45 3.354 1.691 -2.824 1.00 0.00 C ATOM 0 H THR A 45 1.342 2.410 0.942 1.00 0.00 H new ATOM 0 HA THR A 45 2.332 3.771 -1.479 1.00 0.00 H new ATOM 0 HB THR A 45 2.895 0.883 -0.896 1.00 0.00 H new ATOM 0 HG1 THR A 45 4.956 1.519 -0.522 1.00 0.00 H new ATOM 0 HG21 THR A 45 4.151 0.976 -3.027 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.423 1.331 -3.262 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.612 2.655 -3.262 1.00 0.00 H new ATOM 674 N PHE A 46 -0.085 3.425 -1.895 1.00 0.00 N ATOM 675 CA PHE A 46 -1.415 3.244 -2.440 1.00 0.00 C ATOM 676 C PHE A 46 -1.301 2.458 -3.747 1.00 0.00 C ATOM 677 O PHE A 46 -0.933 3.001 -4.793 1.00 0.00 O ATOM 678 CB PHE A 46 -2.068 4.619 -2.615 1.00 0.00 C ATOM 679 CG PHE A 46 -2.275 5.435 -1.346 1.00 0.00 C ATOM 680 CD1 PHE A 46 -2.779 4.843 -0.171 1.00 0.00 C ATOM 681 CD2 PHE A 46 -2.018 6.820 -1.364 1.00 0.00 C ATOM 682 CE1 PHE A 46 -2.969 5.616 0.988 1.00 0.00 C ATOM 683 CE2 PHE A 46 -2.243 7.598 -0.216 1.00 0.00 C ATOM 684 CZ PHE A 46 -2.705 6.995 0.965 1.00 0.00 C ATOM 0 H PHE A 46 0.211 4.401 -1.875 1.00 0.00 H new ATOM 0 HA PHE A 46 -2.055 2.670 -1.770 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -1.455 5.204 -3.301 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.037 4.479 -3.093 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -3.021 3.790 -0.161 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.646 7.286 -2.265 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -3.318 5.149 1.897 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -2.060 8.662 -0.242 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.857 7.590 1.853 1.00 0.00 H new ATOM 694 N VAL A 47 -1.554 1.150 -3.652 1.00 0.00 N ATOM 695 CA VAL A 47 -1.395 0.228 -4.760 1.00 0.00 C ATOM 696 C VAL A 47 -2.425 0.523 -5.851 1.00 0.00 C ATOM 697 O VAL A 47 -3.631 0.392 -5.638 1.00 0.00 O ATOM 698 CB VAL A 47 -1.427 -1.230 -4.262 1.00 0.00 C ATOM 699 CG1 VAL A 47 -2.813 -1.753 -3.876 1.00 0.00 C ATOM 700 CG2 VAL A 47 -0.852 -2.153 -5.341 1.00 0.00 C ATOM 0 H VAL A 47 -1.877 0.706 -2.793 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.415 0.371 -5.215 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.829 -1.232 -3.351 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.731 -2.786 -3.539 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.222 -1.141 -3.073 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.474 -1.705 -4.741 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -0.875 -3.184 -4.988 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.449 -2.067 -6.249 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.177 -1.866 -5.555 1.00 0.00 H new ATOM 710 N HIS A 48 -1.948 0.903 -7.035 1.00 0.00 N ATOM 711 CA HIS A 48 -2.791 1.192 -8.184 1.00 0.00 C ATOM 712 C HIS A 48 -3.216 -0.122 -8.845 1.00 0.00 C ATOM 713 O HIS A 48 -2.876 -0.392 -9.995 1.00 0.00 O ATOM 714 CB HIS A 48 -2.036 2.135 -9.119 1.00 0.00 C ATOM 715 CG HIS A 48 -2.870 2.900 -10.115 1.00 0.00 C ATOM 716 ND1 HIS A 48 -2.421 4.010 -10.800 1.00 0.00 N ATOM 717 CD2 HIS A 48 -4.172 2.677 -10.470 1.00 0.00 C ATOM 718 CE1 HIS A 48 -3.427 4.451 -11.574 1.00 0.00 C ATOM 719 NE2 HIS A 48 -4.502 3.659 -11.383 1.00 0.00 N ATOM 0 H HIS A 48 -0.952 1.019 -7.221 1.00 0.00 H new ATOM 0 HA HIS A 48 -3.710 1.699 -7.891 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.487 2.853 -8.510 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -1.297 1.552 -9.668 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -1.491 4.423 -10.731 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -4.815 1.889 -10.108 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.382 5.300 -12.240 1.00 0.00 H new ATOM 728 N GLU A 49 -3.944 -0.943 -8.088 1.00 0.00 N ATOM 729 CA GLU A 49 -4.493 -2.226 -8.494 1.00 0.00 C ATOM 730 C GLU A 49 -5.883 -2.326 -7.869 1.00 0.00 C ATOM 731 O GLU A 49 -6.089 -1.817 -6.767 1.00 0.00 O ATOM 732 CB GLU A 49 -3.600 -3.358 -7.968 1.00 0.00 C ATOM 733 CG GLU A 49 -2.258 -3.480 -8.703 1.00 0.00 C ATOM 734 CD GLU A 49 -1.500 -4.732 -8.260 1.00 0.00 C ATOM 735 OE1 GLU A 49 -2.019 -5.833 -8.547 1.00 0.00 O ATOM 736 OE2 GLU A 49 -0.418 -4.577 -7.648 1.00 0.00 O ATOM 0 H GLU A 49 -4.176 -0.713 -7.122 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.545 -2.310 -9.580 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.409 -3.195 -6.907 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.138 -4.302 -8.054 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.431 -3.517 -9.779 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.651 -2.596 -8.508 1.00 0.00 H new ATOM 743 N SER A 50 -6.839 -2.962 -8.549 1.00 0.00 N ATOM 744 CA SER A 50 -8.164 -3.185 -7.986 1.00 0.00 C ATOM 745 C SER A 50 -8.088 -4.300 -6.942 1.00 0.00 C ATOM 746 O SER A 50 -7.228 -5.173 -7.033 1.00 0.00 O ATOM 747 CB SER A 50 -9.144 -3.533 -9.110 1.00 0.00 C ATOM 748 OG SER A 50 -9.060 -2.545 -10.119 1.00 0.00 O ATOM 0 H SER A 50 -6.716 -3.331 -9.492 1.00 0.00 H new ATOM 0 HA SER A 50 -8.523 -2.281 -7.493 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.909 -4.514 -9.523 1.00 0.00 H new ATOM 0 HB3 SER A 50 -10.160 -3.587 -8.720 1.00 0.00 H new ATOM 0 HG SER A 50 -9.684 -2.763 -10.843 1.00 0.00 H new ATOM 754 N LEU A 51 -9.004 -4.305 -5.969 1.00 0.00 N ATOM 755 CA LEU A 51 -9.000 -5.271 -4.870 1.00 0.00 C ATOM 756 C LEU A 51 -8.908 -6.703 -5.404 1.00 0.00 C ATOM 757 O LEU A 51 -8.114 -7.508 -4.921 1.00 0.00 O ATOM 758 CB LEU A 51 -10.240 -5.039 -3.992 1.00 0.00 C ATOM 759 CG LEU A 51 -10.273 -5.927 -2.736 1.00 0.00 C ATOM 760 CD1 LEU A 51 -10.898 -5.154 -1.569 1.00 0.00 C ATOM 761 CD2 LEU A 51 -11.092 -7.204 -2.966 1.00 0.00 C ATOM 0 H LEU A 51 -9.772 -3.635 -5.923 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.117 -5.125 -4.247 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.271 -3.992 -3.689 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.136 -5.226 -4.584 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.244 -6.206 -2.507 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -10.919 -5.788 -0.682 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -10.305 -4.263 -1.364 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -11.915 -4.861 -1.830 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -11.092 -7.805 -2.057 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -12.117 -6.937 -3.225 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -10.650 -7.778 -3.780 1.00 0.00 H new ATOM 773 N ALA A 52 -9.696 -7.002 -6.440 1.00 0.00 N ATOM 774 CA ALA A 52 -9.656 -8.285 -7.121 1.00 0.00 C ATOM 775 C ALA A 52 -8.245 -8.629 -7.605 1.00 0.00 C ATOM 776 O ALA A 52 -7.807 -9.765 -7.451 1.00 0.00 O ATOM 777 CB ALA A 52 -10.648 -8.283 -8.287 1.00 0.00 C ATOM 0 H ALA A 52 -10.381 -6.353 -6.827 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.944 -9.057 -6.408 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -10.615 -9.247 -8.795 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -11.655 -8.107 -7.908 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.382 -7.493 -8.990 1.00 0.00 H new ATOM 783 N ASP A 53 -7.525 -7.656 -8.171 1.00 0.00 N ATOM 784 CA ASP A 53 -6.161 -7.860 -8.632 1.00 0.00 C ATOM 785 C ASP A 53 -5.270 -8.129 -7.423 1.00 0.00 C ATOM 786 O ASP A 53 -4.490 -9.076 -7.423 1.00 0.00 O ATOM 787 CB ASP A 53 -5.634 -6.632 -9.385 1.00 0.00 C ATOM 788 CG ASP A 53 -6.520 -6.143 -10.522 1.00 0.00 C ATOM 789 OD1 ASP A 53 -7.087 -7.003 -11.230 1.00 0.00 O ATOM 790 OD2 ASP A 53 -6.620 -4.903 -10.653 1.00 0.00 O ATOM 0 H ASP A 53 -7.876 -6.710 -8.319 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.149 -8.707 -9.317 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.501 -5.818 -8.673 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.649 -6.867 -9.788 1.00 0.00 H new ATOM 795 N VAL A 54 -5.394 -7.293 -6.388 1.00 0.00 N ATOM 796 CA VAL A 54 -4.581 -7.396 -5.180 1.00 0.00 C ATOM 797 C VAL A 54 -4.737 -8.793 -4.571 1.00 0.00 C ATOM 798 O VAL A 54 -3.753 -9.403 -4.157 1.00 0.00 O ATOM 799 CB VAL A 54 -4.938 -6.269 -4.194 1.00 0.00 C ATOM 800 CG1 VAL A 54 -4.222 -6.442 -2.848 1.00 0.00 C ATOM 801 CG2 VAL A 54 -4.556 -4.901 -4.774 1.00 0.00 C ATOM 0 H VAL A 54 -6.064 -6.524 -6.368 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.528 -7.267 -5.429 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.015 -6.322 -4.033 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.500 -5.627 -2.180 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.513 -7.393 -2.401 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.143 -6.430 -3.005 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.817 -4.118 -4.062 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.483 -4.874 -4.967 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.096 -4.737 -5.706 1.00 0.00 H new ATOM 811 N LYS A 55 -5.960 -9.327 -4.535 1.00 0.00 N ATOM 812 CA LYS A 55 -6.179 -10.700 -4.136 1.00 0.00 C ATOM 813 C LYS A 55 -5.554 -11.668 -5.144 1.00 0.00 C ATOM 814 O LYS A 55 -4.778 -12.533 -4.751 1.00 0.00 O ATOM 815 CB LYS A 55 -7.678 -10.944 -3.958 1.00 0.00 C ATOM 816 CG LYS A 55 -8.209 -10.222 -2.711 1.00 0.00 C ATOM 817 CD LYS A 55 -9.690 -10.521 -2.448 1.00 0.00 C ATOM 818 CE LYS A 55 -9.940 -11.987 -2.072 1.00 0.00 C ATOM 819 NZ LYS A 55 -11.338 -12.204 -1.663 1.00 0.00 N ATOM 0 H LYS A 55 -6.810 -8.819 -4.780 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.688 -10.884 -3.181 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.214 -10.595 -4.841 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.868 -12.014 -3.872 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.621 -10.521 -1.843 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.074 -9.147 -2.832 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.049 -9.878 -1.645 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.270 -10.274 -3.337 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.704 -12.628 -2.922 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.272 -12.275 -1.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.476 -13.205 -1.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.554 -11.610 -0.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.972 -11.951 -2.447 1.00 0.00 H new ATOM 833 N ALA A 56 -5.881 -11.535 -6.434 1.00 0.00 N ATOM 834 CA ALA A 56 -5.400 -12.429 -7.485 1.00 0.00 C ATOM 835 C ALA A 56 -3.883 -12.624 -7.416 1.00 0.00 C ATOM 836 O ALA A 56 -3.413 -13.755 -7.497 1.00 0.00 O ATOM 837 CB ALA A 56 -5.830 -11.917 -8.861 1.00 0.00 C ATOM 0 H ALA A 56 -6.493 -10.795 -6.778 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.854 -13.407 -7.324 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.463 -12.595 -9.632 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.918 -11.869 -8.908 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.415 -10.922 -9.025 1.00 0.00 H new ATOM 843 N VAL A 57 -3.130 -11.538 -7.210 1.00 0.00 N ATOM 844 CA VAL A 57 -1.690 -11.557 -6.958 1.00 0.00 C ATOM 845 C VAL A 57 -1.308 -12.666 -5.967 1.00 0.00 C ATOM 846 O VAL A 57 -0.399 -13.455 -6.235 1.00 0.00 O ATOM 847 CB VAL A 57 -1.238 -10.161 -6.495 1.00 0.00 C ATOM 848 CG1 VAL A 57 0.144 -10.183 -5.831 1.00 0.00 C ATOM 849 CG2 VAL A 57 -1.183 -9.212 -7.700 1.00 0.00 C ATOM 0 H VAL A 57 -3.520 -10.595 -7.215 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.162 -11.793 -7.882 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.964 -9.819 -5.758 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.416 -9.173 -5.523 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.118 -10.834 -4.957 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.882 -10.557 -6.540 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.863 -8.224 -7.370 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.475 -9.597 -8.434 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.172 -9.141 -8.152 1.00 0.00 H new ATOM 859 N CYS A 58 -2.023 -12.753 -4.841 1.00 0.00 N ATOM 860 CA CYS A 58 -1.766 -13.730 -3.783 1.00 0.00 C ATOM 861 C CYS A 58 -1.933 -15.177 -4.259 1.00 0.00 C ATOM 862 O CYS A 58 -1.470 -16.103 -3.604 1.00 0.00 O ATOM 863 CB CYS A 58 -2.696 -13.469 -2.598 1.00 0.00 C ATOM 864 SG CYS A 58 -2.235 -14.359 -1.097 1.00 0.00 S ATOM 0 H CYS A 58 -2.809 -12.136 -4.638 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.726 -13.607 -3.482 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -2.707 -12.400 -2.386 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -3.712 -13.749 -2.877 1.00 0.00 H new ATOM 869 N SER A 59 -2.583 -15.375 -5.408 1.00 0.00 N ATOM 870 CA SER A 59 -2.738 -16.657 -6.064 1.00 0.00 C ATOM 871 C SER A 59 -2.200 -16.581 -7.495 1.00 0.00 C ATOM 872 O SER A 59 -2.776 -17.193 -8.395 1.00 0.00 O ATOM 873 CB SER A 59 -4.226 -17.016 -6.055 1.00 0.00 C ATOM 874 OG SER A 59 -4.714 -17.044 -4.726 1.00 0.00 O ATOM 0 H SER A 59 -3.029 -14.613 -5.919 1.00 0.00 H new ATOM 0 HA SER A 59 -2.173 -17.428 -5.540 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.787 -16.288 -6.641 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.376 -17.988 -6.526 1.00 0.00 H new ATOM 0 HG SER A 59 -5.667 -17.273 -4.732 1.00 0.00 H new ATOM 880 N GLN A 60 -1.116 -15.829 -7.732 1.00 0.00 N ATOM 881 CA GLN A 60 -0.503 -15.739 -9.056 1.00 0.00 C ATOM 882 C GLN A 60 0.907 -16.318 -9.047 1.00 0.00 C ATOM 883 O GLN A 60 1.152 -17.335 -9.692 1.00 0.00 O ATOM 884 CB GLN A 60 -0.569 -14.301 -9.596 1.00 0.00 C ATOM 885 CG GLN A 60 -1.330 -14.202 -10.926 1.00 0.00 C ATOM 886 CD GLN A 60 -2.849 -14.138 -10.764 1.00 0.00 C ATOM 887 OE1 GLN A 60 -3.462 -13.149 -11.153 1.00 0.00 O ATOM 888 NE2 GLN A 60 -3.490 -15.167 -10.219 1.00 0.00 N ATOM 0 H GLN A 60 -0.647 -15.273 -7.017 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.077 -16.352 -9.751 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -1.052 -13.662 -8.857 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.444 -13.922 -9.732 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.993 -13.314 -11.461 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -1.076 -15.063 -11.544 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.967 -15.983 -9.900 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -4.505 -15.141 -10.120 1.00 0.00 H new ATOM 897 N LYS A 61 1.840 -15.677 -8.342 1.00 0.00 N ATOM 898 CA LYS A 61 3.221 -16.131 -8.306 1.00 0.00 C ATOM 899 C LYS A 61 3.821 -15.833 -6.944 1.00 0.00 C ATOM 900 O LYS A 61 4.284 -14.723 -6.680 1.00 0.00 O ATOM 901 CB LYS A 61 4.017 -15.466 -9.426 1.00 0.00 C ATOM 902 CG LYS A 61 5.457 -15.991 -9.526 1.00 0.00 C ATOM 903 CD LYS A 61 6.291 -15.193 -10.540 1.00 0.00 C ATOM 904 CE LYS A 61 5.706 -15.185 -11.959 1.00 0.00 C ATOM 905 NZ LYS A 61 5.497 -16.548 -12.477 1.00 0.00 N ATOM 0 H LYS A 61 1.658 -14.840 -7.788 1.00 0.00 H new ATOM 0 HA LYS A 61 3.259 -17.209 -8.465 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.508 -15.632 -10.375 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.039 -14.389 -9.260 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.931 -15.939 -8.546 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.441 -17.041 -9.817 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.383 -14.165 -10.190 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.298 -15.609 -10.575 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.757 -14.648 -11.957 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.377 -14.643 -12.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.165 -16.498 -13.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.393 -17.075 -12.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.785 -17.035 -11.896 1.00 0.00 H new ATOM 919 N LYS A 62 3.826 -16.860 -6.101 1.00 0.00 N ATOM 920 CA LYS A 62 4.563 -16.818 -4.854 1.00 0.00 C ATOM 921 C LYS A 62 6.055 -16.687 -5.153 1.00 0.00 C ATOM 922 O LYS A 62 6.564 -17.318 -6.078 1.00 0.00 O ATOM 923 CB LYS A 62 4.325 -18.111 -4.057 1.00 0.00 C ATOM 924 CG LYS A 62 4.745 -17.993 -2.580 1.00 0.00 C ATOM 925 CD LYS A 62 5.233 -19.343 -2.034 1.00 0.00 C ATOM 926 CE LYS A 62 6.723 -19.579 -2.322 1.00 0.00 C ATOM 927 NZ LYS A 62 7.582 -18.750 -1.456 1.00 0.00 N ATOM 0 H LYS A 62 3.324 -17.733 -6.264 1.00 0.00 H new ATOM 0 HA LYS A 62 4.222 -15.964 -4.268 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.268 -18.374 -4.109 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.879 -18.926 -4.523 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.537 -17.250 -2.482 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.902 -17.640 -1.986 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.062 -19.382 -0.958 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.647 -20.147 -2.479 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.961 -20.632 -2.171 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.932 -19.352 -3.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.563 -18.792 -1.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.249 -17.765 -1.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.540 -19.108 -0.480 1.00 0.00 H new ATOM 941 N VAL A 63 6.751 -15.898 -4.341 1.00 0.00 N ATOM 942 CA VAL A 63 8.195 -15.879 -4.251 1.00 0.00 C ATOM 943 C VAL A 63 8.511 -15.852 -2.758 1.00 0.00 C ATOM 944 O VAL A 63 7.712 -15.371 -1.955 1.00 0.00 O ATOM 945 CB VAL A 63 8.814 -14.699 -5.021 1.00 0.00 C ATOM 946 CG1 VAL A 63 8.507 -14.798 -6.521 1.00 0.00 C ATOM 947 CG2 VAL A 63 8.355 -13.331 -4.503 1.00 0.00 C ATOM 0 H VAL A 63 6.304 -15.234 -3.709 1.00 0.00 H new ATOM 0 HA VAL A 63 8.637 -16.756 -4.724 1.00 0.00 H new ATOM 0 HB VAL A 63 9.889 -14.772 -4.855 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.956 -13.952 -7.041 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.919 -15.727 -6.916 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.428 -14.786 -6.673 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.828 -12.543 -5.089 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.272 -13.252 -4.596 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.638 -13.225 -3.456 1.00 0.00 H new ATOM 957 N THR A 64 9.638 -16.416 -2.350 1.00 0.00 N ATOM 958 CA THR A 64 10.026 -16.350 -0.953 1.00 0.00 C ATOM 959 C THR A 64 10.523 -14.929 -0.695 1.00 0.00 C ATOM 960 O THR A 64 11.342 -14.431 -1.467 1.00 0.00 O ATOM 961 CB THR A 64 11.081 -17.419 -0.669 1.00 0.00 C ATOM 962 OG1 THR A 64 10.649 -18.643 -1.237 1.00 0.00 O ATOM 963 CG2 THR A 64 11.286 -17.610 0.835 1.00 0.00 C ATOM 0 H THR A 64 10.289 -16.916 -2.956 1.00 0.00 H new ATOM 0 HA THR A 64 9.195 -16.556 -0.278 1.00 0.00 H new ATOM 0 HB THR A 64 12.028 -17.101 -1.105 1.00 0.00 H new ATOM 0 HG1 THR A 64 11.318 -19.338 -1.064 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.042 -18.377 1.005 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.615 -16.671 1.279 1.00 0.00 H new ATOM 0 HG23 THR A 64 10.347 -17.919 1.294 1.00 0.00 H new ATOM 971 N CYS A 65 10.022 -14.251 0.341 1.00 0.00 N ATOM 972 CA CYS A 65 10.516 -12.925 0.667 1.00 0.00 C ATOM 973 C CYS A 65 11.999 -13.001 1.025 1.00 0.00 C ATOM 974 O CYS A 65 12.520 -14.084 1.312 1.00 0.00 O ATOM 975 CB CYS A 65 9.762 -12.369 1.874 1.00 0.00 C ATOM 976 SG CYS A 65 7.990 -12.035 1.712 1.00 0.00 S ATOM 0 H CYS A 65 9.286 -14.598 0.956 1.00 0.00 H new ATOM 0 HA CYS A 65 10.368 -12.278 -0.197 1.00 0.00 H new ATOM 0 HB2 CYS A 65 9.892 -13.071 2.698 1.00 0.00 H new ATOM 0 HB3 CYS A 65 10.248 -11.439 2.168 1.00 0.00 H new ATOM 981 N LYS A 66 12.652 -11.837 1.126 1.00 0.00 N ATOM 982 CA LYS A 66 14.006 -11.684 1.659 1.00 0.00 C ATOM 983 C LYS A 66 13.979 -11.809 3.191 1.00 0.00 C ATOM 984 O LYS A 66 14.377 -10.918 3.935 1.00 0.00 O ATOM 985 CB LYS A 66 14.574 -10.354 1.157 1.00 0.00 C ATOM 986 CG LYS A 66 16.095 -10.248 1.332 1.00 0.00 C ATOM 987 CD LYS A 66 16.597 -8.934 0.719 1.00 0.00 C ATOM 988 CE LYS A 66 18.127 -8.838 0.742 1.00 0.00 C ATOM 989 NZ LYS A 66 18.662 -8.853 2.114 1.00 0.00 N ATOM 0 H LYS A 66 12.239 -10.952 0.830 1.00 0.00 H new ATOM 0 HA LYS A 66 14.668 -12.475 1.307 1.00 0.00 H new ATOM 0 HB2 LYS A 66 14.326 -10.234 0.102 1.00 0.00 H new ATOM 0 HB3 LYS A 66 14.094 -9.535 1.693 1.00 0.00 H new ATOM 0 HG2 LYS A 66 16.352 -10.288 2.390 1.00 0.00 H new ATOM 0 HG3 LYS A 66 16.586 -11.095 0.852 1.00 0.00 H new ATOM 0 HD2 LYS A 66 16.244 -8.855 -0.309 1.00 0.00 H new ATOM 0 HD3 LYS A 66 16.173 -8.093 1.267 1.00 0.00 H new ATOM 0 HE2 LYS A 66 18.551 -9.670 0.179 1.00 0.00 H new ATOM 0 HE3 LYS A 66 18.440 -7.922 0.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 19.693 -8.718 2.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 18.227 -8.085 2.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 18.444 -9.766 2.562 1.00 0.00 H new ATOM 1003 N ASP A 67 13.462 -12.955 3.618 1.00 0.00 N ATOM 1004 CA ASP A 67 13.189 -13.417 4.966 1.00 0.00 C ATOM 1005 C ASP A 67 13.382 -14.933 5.066 1.00 0.00 C ATOM 1006 O ASP A 67 13.650 -15.442 6.149 1.00 0.00 O ATOM 1007 CB ASP A 67 11.762 -13.031 5.365 1.00 0.00 C ATOM 1008 CG ASP A 67 11.652 -12.551 6.808 1.00 0.00 C ATOM 1009 OD1 ASP A 67 12.181 -11.456 7.091 1.00 0.00 O ATOM 1010 OD2 ASP A 67 11.018 -13.286 7.600 1.00 0.00 O ATOM 0 H ASP A 67 13.193 -13.667 2.939 1.00 0.00 H new ATOM 0 HA ASP A 67 13.891 -12.941 5.651 1.00 0.00 H new ATOM 0 HB2 ASP A 67 11.405 -12.245 4.699 1.00 0.00 H new ATOM 0 HB3 ASP A 67 11.107 -13.891 5.224 1.00 0.00 H new ATOM 1015 N GLY A 68 13.205 -15.666 3.955 1.00 0.00 N ATOM 1016 CA GLY A 68 13.281 -17.121 3.967 1.00 0.00 C ATOM 1017 C GLY A 68 12.147 -17.720 4.800 1.00 0.00 C ATOM 1018 O GLY A 68 12.325 -18.749 5.446 1.00 0.00 O ATOM 0 H GLY A 68 13.008 -15.265 3.038 1.00 0.00 H new ATOM 0 HA2 GLY A 68 13.228 -17.500 2.947 1.00 0.00 H new ATOM 0 HA3 GLY A 68 14.242 -17.436 4.374 1.00 0.00 H new ATOM 1022 N GLN A 69 10.986 -17.058 4.794 1.00 0.00 N ATOM 1023 CA GLN A 69 9.888 -17.345 5.699 1.00 0.00 C ATOM 1024 C GLN A 69 8.593 -16.785 5.109 1.00 0.00 C ATOM 1025 O GLN A 69 7.736 -17.527 4.629 1.00 0.00 O ATOM 1026 CB GLN A 69 10.246 -16.708 7.050 1.00 0.00 C ATOM 1027 CG GLN A 69 9.158 -16.855 8.120 1.00 0.00 C ATOM 1028 CD GLN A 69 9.623 -16.343 9.482 1.00 0.00 C ATOM 1029 OE1 GLN A 69 9.472 -17.030 10.487 1.00 0.00 O ATOM 1030 NE2 GLN A 69 10.184 -15.139 9.547 1.00 0.00 N ATOM 0 H GLN A 69 10.787 -16.296 4.146 1.00 0.00 H new ATOM 0 HA GLN A 69 9.732 -18.414 5.841 1.00 0.00 H new ATOM 0 HB2 GLN A 69 11.167 -17.159 7.419 1.00 0.00 H new ATOM 0 HB3 GLN A 69 10.449 -15.648 6.897 1.00 0.00 H new ATOM 0 HG2 GLN A 69 8.269 -16.306 7.811 1.00 0.00 H new ATOM 0 HG3 GLN A 69 8.872 -17.903 8.205 1.00 0.00 H new ATOM 0 HE21 GLN A 69 10.300 -14.584 8.699 1.00 0.00 H new ATOM 0 HE22 GLN A 69 10.498 -14.771 10.445 1.00 0.00 H new ATOM 1039 N THR A 70 8.443 -15.461 5.138 1.00 0.00 N ATOM 1040 CA THR A 70 7.283 -14.791 4.615 1.00 0.00 C ATOM 1041 C THR A 70 7.154 -15.097 3.120 1.00 0.00 C ATOM 1042 O THR A 70 8.125 -15.132 2.360 1.00 0.00 O ATOM 1043 CB THR A 70 7.369 -13.300 4.962 1.00 0.00 C ATOM 1044 OG1 THR A 70 8.711 -12.868 4.871 1.00 0.00 O ATOM 1045 CG2 THR A 70 6.917 -13.060 6.405 1.00 0.00 C ATOM 0 H THR A 70 9.139 -14.828 5.533 1.00 0.00 H new ATOM 0 HA THR A 70 6.362 -15.154 5.072 1.00 0.00 H new ATOM 0 HB THR A 70 6.730 -12.756 4.266 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.763 -11.915 5.091 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.984 -11.997 6.635 1.00 0.00 H new ATOM 0 HG22 THR A 70 5.886 -13.392 6.523 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.559 -13.620 7.085 1.00 0.00 H new ATOM 1053 N ASN A 71 5.917 -15.408 2.747 1.00 0.00 N ATOM 1054 CA ASN A 71 5.513 -15.826 1.419 1.00 0.00 C ATOM 1055 C ASN A 71 5.133 -14.563 0.653 1.00 0.00 C ATOM 1056 O ASN A 71 4.022 -14.048 0.806 1.00 0.00 O ATOM 1057 CB ASN A 71 4.333 -16.801 1.524 1.00 0.00 C ATOM 1058 CG ASN A 71 4.732 -18.234 1.886 1.00 0.00 C ATOM 1059 OD1 ASN A 71 4.138 -19.175 1.375 1.00 0.00 O ATOM 1060 ND2 ASN A 71 5.723 -18.449 2.752 1.00 0.00 N ATOM 0 H ASN A 71 5.134 -15.372 3.399 1.00 0.00 H new ATOM 0 HA ASN A 71 6.315 -16.347 0.896 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.635 -16.430 2.275 1.00 0.00 H new ATOM 0 HB3 ASN A 71 3.801 -16.813 0.573 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.991 -19.403 2.993 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.213 -17.659 3.173 1.00 0.00 H new ATOM 1067 N CYS A 72 6.082 -14.047 -0.127 1.00 0.00 N ATOM 1068 CA CYS A 72 5.903 -12.864 -0.951 1.00 0.00 C ATOM 1069 C CYS A 72 5.149 -13.245 -2.218 1.00 0.00 C ATOM 1070 O CYS A 72 5.133 -14.411 -2.606 1.00 0.00 O ATOM 1071 CB CYS A 72 7.250 -12.198 -1.258 1.00 0.00 C ATOM 1072 SG CYS A 72 7.781 -10.958 -0.053 1.00 0.00 S ATOM 0 H CYS A 72 7.015 -14.452 -0.202 1.00 0.00 H new ATOM 0 HA CYS A 72 5.311 -12.127 -0.408 1.00 0.00 H new ATOM 0 HB2 CYS A 72 8.015 -12.972 -1.322 1.00 0.00 H new ATOM 0 HB3 CYS A 72 7.190 -11.727 -2.239 1.00 0.00 H new ATOM 1077 N TYR A 73 4.515 -12.266 -2.863 1.00 0.00 N ATOM 1078 CA TYR A 73 3.877 -12.417 -4.158 1.00 0.00 C ATOM 1079 C TYR A 73 4.121 -11.141 -4.960 1.00 0.00 C ATOM 1080 O TYR A 73 3.848 -10.042 -4.476 1.00 0.00 O ATOM 1081 CB TYR A 73 2.374 -12.702 -4.024 1.00 0.00 C ATOM 1082 CG TYR A 73 2.030 -14.090 -3.522 1.00 0.00 C ATOM 1083 CD1 TYR A 73 2.095 -14.388 -2.149 1.00 0.00 C ATOM 1084 CD2 TYR A 73 1.644 -15.088 -4.433 1.00 0.00 C ATOM 1085 CE1 TYR A 73 1.793 -15.683 -1.693 1.00 0.00 C ATOM 1086 CE2 TYR A 73 1.359 -16.385 -3.979 1.00 0.00 C ATOM 1087 CZ TYR A 73 1.394 -16.672 -2.606 1.00 0.00 C ATOM 1088 OH TYR A 73 1.151 -17.943 -2.173 1.00 0.00 O ATOM 0 H TYR A 73 4.432 -11.323 -2.484 1.00 0.00 H new ATOM 0 HA TYR A 73 4.308 -13.275 -4.674 1.00 0.00 H new ATOM 0 HB2 TYR A 73 1.939 -11.968 -3.346 1.00 0.00 H new ATOM 0 HB3 TYR A 73 1.903 -12.556 -4.996 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.377 -13.620 -1.444 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.566 -14.856 -5.485 1.00 0.00 H new ATOM 0 HE1 TYR A 73 1.868 -15.917 -0.641 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.113 -17.163 -4.687 1.00 0.00 H new ATOM 0 HH TYR A 73 0.884 -18.502 -2.932 1.00 0.00 H new ATOM 1098 N GLN A 74 4.681 -11.295 -6.162 1.00 0.00 N ATOM 1099 CA GLN A 74 4.931 -10.191 -7.084 1.00 0.00 C ATOM 1100 C GLN A 74 3.628 -9.737 -7.738 1.00 0.00 C ATOM 1101 O GLN A 74 2.770 -10.563 -8.040 1.00 0.00 O ATOM 1102 CB GLN A 74 6.015 -10.623 -8.084 1.00 0.00 C ATOM 1103 CG GLN A 74 5.994 -10.069 -9.521 1.00 0.00 C ATOM 1104 CD GLN A 74 6.039 -8.546 -9.619 1.00 0.00 C ATOM 1105 OE1 GLN A 74 6.177 -7.851 -8.622 1.00 0.00 O ATOM 1106 NE2 GLN A 74 5.864 -8.010 -10.822 1.00 0.00 N ATOM 0 H GLN A 74 4.976 -12.202 -6.524 1.00 0.00 H new ATOM 0 HA GLN A 74 5.308 -9.316 -6.555 1.00 0.00 H new ATOM 0 HB2 GLN A 74 6.980 -10.364 -7.649 1.00 0.00 H new ATOM 0 HB3 GLN A 74 5.979 -11.710 -8.154 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.844 -10.480 -10.067 1.00 0.00 H new ATOM 0 HG3 GLN A 74 5.093 -10.425 -10.020 1.00 0.00 H new ATOM 0 HE21 GLN A 74 5.751 -8.613 -11.637 1.00 0.00 H new ATOM 0 HE22 GLN A 74 5.842 -6.996 -10.930 1.00 0.00 H new ATOM 1115 N SER A 75 3.519 -8.443 -8.047 1.00 0.00 N ATOM 1116 CA SER A 75 2.350 -7.827 -8.692 1.00 0.00 C ATOM 1117 C SER A 75 2.123 -8.219 -10.147 1.00 0.00 C ATOM 1118 O SER A 75 1.581 -7.424 -10.911 1.00 0.00 O ATOM 1119 CB SER A 75 2.360 -6.302 -8.509 1.00 0.00 C ATOM 1120 OG SER A 75 1.985 -5.966 -7.187 1.00 0.00 O ATOM 0 H SER A 75 4.262 -7.772 -7.851 1.00 0.00 H new ATOM 0 HA SER A 75 1.490 -8.244 -8.169 1.00 0.00 H new ATOM 0 HB2 SER A 75 3.354 -5.909 -8.724 1.00 0.00 H new ATOM 0 HB3 SER A 75 1.674 -5.839 -9.218 1.00 0.00 H new ATOM 0 HG SER A 75 1.135 -5.479 -7.202 1.00 0.00 H new ATOM 1126 N LYS A 76 2.514 -9.433 -10.542 1.00 0.00 N ATOM 1127 CA LYS A 76 2.460 -9.997 -11.885 1.00 0.00 C ATOM 1128 C LYS A 76 3.302 -9.231 -12.903 1.00 0.00 C ATOM 1129 O LYS A 76 3.782 -9.816 -13.872 1.00 0.00 O ATOM 1130 CB LYS A 76 0.997 -10.197 -12.318 1.00 0.00 C ATOM 1131 CG LYS A 76 0.810 -10.997 -13.615 1.00 0.00 C ATOM 1132 CD LYS A 76 1.432 -12.398 -13.539 1.00 0.00 C ATOM 1133 CE LYS A 76 0.972 -13.251 -14.726 1.00 0.00 C ATOM 1134 NZ LYS A 76 1.570 -14.598 -14.682 1.00 0.00 N ATOM 0 H LYS A 76 2.907 -10.097 -9.875 1.00 0.00 H new ATOM 0 HA LYS A 76 2.930 -10.980 -11.850 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.462 -10.704 -11.515 1.00 0.00 H new ATOM 0 HB3 LYS A 76 0.533 -9.218 -12.442 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.254 -11.087 -13.832 1.00 0.00 H new ATOM 0 HG3 LYS A 76 1.258 -10.449 -14.444 1.00 0.00 H new ATOM 0 HD2 LYS A 76 2.519 -12.321 -13.538 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.146 -12.880 -12.604 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.115 -13.333 -14.718 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.248 -12.759 -15.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.240 -15.151 -15.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.606 -14.519 -14.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.286 -15.075 -13.803 1.00 0.00 H new ATOM 1148 N SER A 77 3.494 -7.932 -12.704 1.00 0.00 N ATOM 1149 CA SER A 77 4.123 -7.020 -13.625 1.00 0.00 C ATOM 1150 C SER A 77 4.477 -5.744 -12.853 1.00 0.00 C ATOM 1151 O SER A 77 4.386 -5.715 -11.622 1.00 0.00 O ATOM 1152 CB SER A 77 3.115 -6.739 -14.746 1.00 0.00 C ATOM 1153 OG SER A 77 3.049 -7.831 -15.642 1.00 0.00 O ATOM 0 H SER A 77 3.195 -7.471 -11.845 1.00 0.00 H new ATOM 0 HA SER A 77 5.036 -7.425 -14.061 1.00 0.00 H new ATOM 0 HB2 SER A 77 2.130 -6.553 -14.318 1.00 0.00 H new ATOM 0 HB3 SER A 77 3.404 -5.837 -15.285 1.00 0.00 H new ATOM 0 HG SER A 77 3.425 -8.629 -15.214 1.00 0.00 H new ATOM 1159 N THR A 78 4.900 -4.704 -13.567 1.00 0.00 N ATOM 1160 CA THR A 78 4.989 -3.350 -13.061 1.00 0.00 C ATOM 1161 C THR A 78 3.567 -2.788 -12.962 1.00 0.00 C ATOM 1162 O THR A 78 2.685 -3.203 -13.712 1.00 0.00 O ATOM 1163 CB THR A 78 5.858 -2.550 -14.042 1.00 0.00 C ATOM 1164 OG1 THR A 78 5.401 -2.802 -15.357 1.00 0.00 O ATOM 1165 CG2 THR A 78 7.323 -3.001 -13.991 1.00 0.00 C ATOM 0 H THR A 78 5.197 -4.789 -14.539 1.00 0.00 H new ATOM 0 HA THR A 78 5.443 -3.299 -12.071 1.00 0.00 H new ATOM 0 HB THR A 78 5.788 -1.497 -13.769 1.00 0.00 H new ATOM 0 HG1 THR A 78 5.946 -2.296 -15.995 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.909 -2.414 -14.698 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.714 -2.854 -12.984 1.00 0.00 H new ATOM 0 HG23 THR A 78 7.388 -4.057 -14.255 1.00 0.00 H new ATOM 1173 N MET A 79 3.333 -1.880 -12.010 1.00 0.00 N ATOM 1174 CA MET A 79 2.045 -1.255 -11.761 1.00 0.00 C ATOM 1175 C MET A 79 2.292 0.224 -11.456 1.00 0.00 C ATOM 1176 O MET A 79 3.349 0.579 -10.932 1.00 0.00 O ATOM 1177 CB MET A 79 1.350 -1.963 -10.588 1.00 0.00 C ATOM 1178 CG MET A 79 0.884 -3.382 -10.930 1.00 0.00 C ATOM 1179 SD MET A 79 -0.491 -3.498 -12.101 1.00 0.00 S ATOM 1180 CE MET A 79 -0.635 -5.295 -12.222 1.00 0.00 C ATOM 0 H MET A 79 4.062 -1.554 -11.375 1.00 0.00 H new ATOM 0 HA MET A 79 1.392 -1.338 -12.630 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.035 -2.007 -9.741 1.00 0.00 H new ATOM 0 HB3 MET A 79 0.491 -1.371 -10.273 1.00 0.00 H new ATOM 0 HG2 MET A 79 1.731 -3.934 -11.337 1.00 0.00 H new ATOM 0 HG3 MET A 79 0.593 -3.881 -10.006 1.00 0.00 H new ATOM 0 HE1 MET A 79 -1.442 -5.550 -12.909 1.00 0.00 H new ATOM 0 HE2 MET A 79 0.302 -5.711 -12.592 1.00 0.00 H new ATOM 0 HE3 MET A 79 -0.852 -5.710 -11.238 1.00 0.00 H new ATOM 1190 N ARG A 80 1.325 1.080 -11.797 1.00 0.00 N ATOM 1191 CA ARG A 80 1.415 2.536 -11.692 1.00 0.00 C ATOM 1192 C ARG A 80 1.149 2.980 -10.248 1.00 0.00 C ATOM 1193 O ARG A 80 0.254 3.789 -9.998 1.00 0.00 O ATOM 1194 CB ARG A 80 0.385 3.158 -12.646 1.00 0.00 C ATOM 1195 CG ARG A 80 0.602 2.765 -14.114 1.00 0.00 C ATOM 1196 CD ARG A 80 -0.529 3.324 -14.984 1.00 0.00 C ATOM 1197 NE ARG A 80 -1.831 2.768 -14.587 1.00 0.00 N ATOM 1198 CZ ARG A 80 -3.016 3.153 -15.079 1.00 0.00 C ATOM 1199 NH1 ARG A 80 -3.079 4.087 -16.033 1.00 0.00 N ATOM 1200 NH2 ARG A 80 -4.135 2.593 -14.607 1.00 0.00 N ATOM 0 H ARG A 80 0.428 0.766 -12.166 1.00 0.00 H new ATOM 0 HA ARG A 80 2.416 2.869 -11.966 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -0.615 2.852 -12.339 1.00 0.00 H new ATOM 0 HB3 ARG A 80 0.427 4.244 -12.558 1.00 0.00 H new ATOM 0 HG2 ARG A 80 1.562 3.147 -14.462 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.639 1.680 -14.206 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -0.554 4.410 -14.899 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -0.335 3.091 -16.031 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.832 2.031 -13.882 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -2.222 4.510 -16.390 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -3.984 4.377 -16.404 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -4.081 1.880 -13.879 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -5.043 2.879 -14.975 1.00 0.00 H new ATOM 1214 N ILE A 81 1.902 2.432 -9.296 1.00 0.00 N ATOM 1215 CA ILE A 81 1.623 2.521 -7.873 1.00 0.00 C ATOM 1216 C ILE A 81 1.983 3.890 -7.302 1.00 0.00 C ATOM 1217 O ILE A 81 2.934 4.530 -7.752 1.00 0.00 O ATOM 1218 CB ILE A 81 2.372 1.398 -7.143 1.00 0.00 C ATOM 1219 CG1 ILE A 81 3.901 1.490 -7.332 1.00 0.00 C ATOM 1220 CG2 ILE A 81 1.861 0.034 -7.619 1.00 0.00 C ATOM 1221 CD1 ILE A 81 4.599 1.991 -6.069 1.00 0.00 C ATOM 0 H ILE A 81 2.746 1.899 -9.505 1.00 0.00 H new ATOM 0 HA ILE A 81 0.551 2.399 -7.721 1.00 0.00 H new ATOM 0 HB ILE A 81 2.174 1.514 -6.077 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.294 0.509 -7.600 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.125 2.161 -8.162 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.397 -0.758 -7.096 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.795 -0.049 -7.408 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.027 -0.062 -8.692 1.00 0.00 H new ATOM 0 HD11 ILE A 81 5.674 2.042 -6.243 1.00 0.00 H new ATOM 0 HD12 ILE A 81 4.225 2.983 -5.816 1.00 0.00 H new ATOM 0 HD13 ILE A 81 4.397 1.306 -5.245 1.00 0.00 H new ATOM 1233 N THR A 82 1.206 4.326 -6.307 1.00 0.00 N ATOM 1234 CA THR A 82 1.288 5.655 -5.724 1.00 0.00 C ATOM 1235 C THR A 82 1.950 5.566 -4.345 1.00 0.00 C ATOM 1236 O THR A 82 1.290 5.319 -3.334 1.00 0.00 O ATOM 1237 CB THR A 82 -0.122 6.261 -5.715 1.00 0.00 C ATOM 1238 OG1 THR A 82 -0.632 6.305 -7.035 1.00 0.00 O ATOM 1239 CG2 THR A 82 -0.156 7.669 -5.115 1.00 0.00 C ATOM 0 H THR A 82 0.486 3.745 -5.878 1.00 0.00 H new ATOM 0 HA THR A 82 1.918 6.325 -6.309 1.00 0.00 H new ATOM 0 HB THR A 82 -0.740 5.620 -5.086 1.00 0.00 H new ATOM 0 HG1 THR A 82 -1.533 6.691 -7.025 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.178 8.048 -5.134 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.199 7.634 -4.085 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.487 8.329 -5.698 1.00 0.00 H new ATOM 1247 N ASP A 83 3.271 5.762 -4.313 1.00 0.00 N ATOM 1248 CA ASP A 83 4.062 5.884 -3.101 1.00 0.00 C ATOM 1249 C ASP A 83 3.628 7.124 -2.330 1.00 0.00 C ATOM 1250 O ASP A 83 3.323 8.127 -2.971 1.00 0.00 O ATOM 1251 CB ASP A 83 5.538 6.045 -3.486 1.00 0.00 C ATOM 1252 CG ASP A 83 6.422 5.991 -2.247 1.00 0.00 C ATOM 1253 OD1 ASP A 83 6.823 4.867 -1.882 1.00 0.00 O ATOM 1254 OD2 ASP A 83 6.660 7.079 -1.679 1.00 0.00 O ATOM 0 H ASP A 83 3.831 5.842 -5.162 1.00 0.00 H new ATOM 0 HA ASP A 83 3.921 4.996 -2.485 1.00 0.00 H new ATOM 0 HB2 ASP A 83 5.827 5.256 -4.181 1.00 0.00 H new ATOM 0 HB3 ASP A 83 5.684 6.994 -4.003 1.00 0.00 H new ATOM 1259 N CYS A 84 3.651 7.097 -0.991 1.00 0.00 N ATOM 1260 CA CYS A 84 3.486 8.317 -0.210 1.00 0.00 C ATOM 1261 C CYS A 84 4.281 8.264 1.104 1.00 0.00 C ATOM 1262 O CYS A 84 4.400 7.180 1.672 1.00 0.00 O ATOM 1263 CB CYS A 84 1.996 8.626 -0.002 1.00 0.00 C ATOM 1264 SG CYS A 84 1.660 10.389 0.161 1.00 0.00 S ATOM 0 H CYS A 84 3.781 6.251 -0.436 1.00 0.00 H new ATOM 0 HA CYS A 84 3.908 9.149 -0.775 1.00 0.00 H new ATOM 0 HB2 CYS A 84 1.427 8.229 -0.843 1.00 0.00 H new ATOM 0 HB3 CYS A 84 1.645 8.110 0.892 1.00 0.00 H new ATOM 1269 N ARG A 85 4.858 9.381 1.588 1.00 0.00 N ATOM 1270 CA ARG A 85 5.689 9.379 2.803 1.00 0.00 C ATOM 1271 C ARG A 85 5.643 10.720 3.543 1.00 0.00 C ATOM 1272 O ARG A 85 5.376 11.737 2.910 1.00 0.00 O ATOM 1273 CB ARG A 85 7.138 8.986 2.473 1.00 0.00 C ATOM 1274 CG ARG A 85 7.857 9.913 1.480 1.00 0.00 C ATOM 1275 CD ARG A 85 7.664 9.462 0.033 1.00 0.00 C ATOM 1276 NE ARG A 85 8.205 10.441 -0.916 1.00 0.00 N ATOM 1277 CZ ARG A 85 7.802 10.531 -2.191 1.00 0.00 C ATOM 1278 NH1 ARG A 85 6.908 9.677 -2.692 1.00 0.00 N ATOM 1279 NH2 ARG A 85 8.297 11.472 -2.998 1.00 0.00 N ATOM 0 H ARG A 85 4.762 10.298 1.153 1.00 0.00 H new ATOM 0 HA ARG A 85 5.269 8.630 3.475 1.00 0.00 H new ATOM 0 HB2 ARG A 85 7.710 8.959 3.400 1.00 0.00 H new ATOM 0 HB3 ARG A 85 7.140 7.974 2.068 1.00 0.00 H new ATOM 0 HG2 ARG A 85 7.481 10.930 1.596 1.00 0.00 H new ATOM 0 HG3 ARG A 85 8.922 9.938 1.713 1.00 0.00 H new ATOM 0 HD2 ARG A 85 8.154 8.500 -0.117 1.00 0.00 H new ATOM 0 HD3 ARG A 85 6.602 9.313 -0.163 1.00 0.00 H new ATOM 0 HE ARG A 85 8.924 11.086 -0.589 1.00 0.00 H new ATOM 0 HH11 ARG A 85 6.520 8.941 -2.102 1.00 0.00 H new ATOM 0 HH12 ARG A 85 6.613 9.760 -3.665 1.00 0.00 H new ATOM 0 HH21 ARG A 85 8.990 12.133 -2.646 1.00 0.00 H new ATOM 0 HH22 ARG A 85 7.982 11.530 -3.967 1.00 0.00 H new ATOM 1293 N GLU A 86 5.887 10.749 4.863 1.00 0.00 N ATOM 1294 CA GLU A 86 5.784 11.984 5.652 1.00 0.00 C ATOM 1295 C GLU A 86 6.871 13.019 5.314 1.00 0.00 C ATOM 1296 O GLU A 86 7.779 13.254 6.107 1.00 0.00 O ATOM 1297 CB GLU A 86 5.702 11.701 7.162 1.00 0.00 C ATOM 1298 CG GLU A 86 6.845 10.867 7.763 1.00 0.00 C ATOM 1299 CD GLU A 86 6.774 10.840 9.289 1.00 0.00 C ATOM 1300 OE1 GLU A 86 6.695 11.942 9.876 1.00 0.00 O ATOM 1301 OE2 GLU A 86 6.812 9.724 9.850 1.00 0.00 O ATOM 0 H GLU A 86 6.157 9.929 5.406 1.00 0.00 H new ATOM 0 HA GLU A 86 4.840 12.443 5.359 1.00 0.00 H new ATOM 0 HB2 GLU A 86 5.663 12.655 7.687 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.762 11.187 7.363 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.796 9.849 7.377 1.00 0.00 H new ATOM 0 HG3 GLU A 86 7.803 11.281 7.449 1.00 0.00 H new ATOM 1308 N THR A 87 6.756 13.693 4.167 1.00 0.00 N ATOM 1309 CA THR A 87 7.812 14.527 3.617 1.00 0.00 C ATOM 1310 C THR A 87 7.195 15.869 3.194 1.00 0.00 C ATOM 1311 O THR A 87 6.080 16.201 3.600 1.00 0.00 O ATOM 1312 CB THR A 87 8.474 13.684 2.508 1.00 0.00 C ATOM 1313 OG1 THR A 87 8.978 12.505 3.105 1.00 0.00 O ATOM 1314 CG2 THR A 87 9.623 14.323 1.729 1.00 0.00 C ATOM 0 H THR A 87 5.914 13.670 3.592 1.00 0.00 H new ATOM 0 HA THR A 87 8.602 14.806 4.314 1.00 0.00 H new ATOM 0 HB THR A 87 7.684 13.531 1.773 1.00 0.00 H new ATOM 0 HG1 THR A 87 9.404 11.948 2.420 1.00 0.00 H new ATOM 0 HG21 THR A 87 9.992 13.619 0.983 1.00 0.00 H new ATOM 0 HG22 THR A 87 9.268 15.226 1.232 1.00 0.00 H new ATOM 0 HG23 THR A 87 10.429 14.580 2.416 1.00 0.00 H new ATOM 1322 N GLY A 88 7.930 16.686 2.438 1.00 0.00 N ATOM 1323 CA GLY A 88 7.497 18.013 2.037 1.00 0.00 C ATOM 1324 C GLY A 88 7.768 18.992 3.171 1.00 0.00 C ATOM 1325 O GLY A 88 8.612 19.876 3.040 1.00 0.00 O ATOM 0 H GLY A 88 8.854 16.435 2.086 1.00 0.00 H new ATOM 0 HA2 GLY A 88 8.027 18.325 1.137 1.00 0.00 H new ATOM 0 HA3 GLY A 88 6.434 18.004 1.794 1.00 0.00 H new ATOM 1329 N SER A 89 7.072 18.817 4.295 1.00 0.00 N ATOM 1330 CA SER A 89 7.177 19.719 5.436 1.00 0.00 C ATOM 1331 C SER A 89 6.593 19.088 6.704 1.00 0.00 C ATOM 1332 O SER A 89 6.115 19.796 7.587 1.00 0.00 O ATOM 1333 CB SER A 89 6.475 21.040 5.083 1.00 0.00 C ATOM 1334 OG SER A 89 5.206 20.778 4.502 1.00 0.00 O ATOM 0 H SER A 89 6.420 18.045 4.437 1.00 0.00 H new ATOM 0 HA SER A 89 8.228 19.916 5.649 1.00 0.00 H new ATOM 0 HB2 SER A 89 6.355 21.648 5.980 1.00 0.00 H new ATOM 0 HB3 SER A 89 7.090 21.614 4.389 1.00 0.00 H new ATOM 0 HG SER A 89 4.766 21.625 4.282 1.00 0.00 H new ATOM 1340 N SER A 90 6.610 17.755 6.800 1.00 0.00 N ATOM 1341 CA SER A 90 5.880 17.072 7.857 1.00 0.00 C ATOM 1342 C SER A 90 6.529 17.281 9.228 1.00 0.00 C ATOM 1343 O SER A 90 7.663 16.859 9.442 1.00 0.00 O ATOM 1344 CB SER A 90 5.755 15.588 7.513 1.00 0.00 C ATOM 1345 OG SER A 90 4.622 15.072 8.175 1.00 0.00 O ATOM 0 H SER A 90 7.117 17.139 6.164 1.00 0.00 H new ATOM 0 HA SER A 90 4.881 17.504 7.924 1.00 0.00 H new ATOM 0 HB2 SER A 90 5.658 15.455 6.435 1.00 0.00 H new ATOM 0 HB3 SER A 90 6.652 15.050 7.821 1.00 0.00 H new ATOM 0 HG SER A 90 4.105 14.517 7.555 1.00 0.00 H new ATOM 1351 N LYS A 91 5.807 17.915 10.157 1.00 0.00 N ATOM 1352 CA LYS A 91 6.233 18.107 11.535 1.00 0.00 C ATOM 1353 C LYS A 91 4.985 18.201 12.423 1.00 0.00 C ATOM 1354 O LYS A 91 4.565 19.298 12.796 1.00 0.00 O ATOM 1355 CB LYS A 91 7.144 19.348 11.625 1.00 0.00 C ATOM 1356 CG LYS A 91 8.051 19.375 12.867 1.00 0.00 C ATOM 1357 CD LYS A 91 7.282 19.473 14.190 1.00 0.00 C ATOM 1358 CE LYS A 91 8.234 19.688 15.370 1.00 0.00 C ATOM 1359 NZ LYS A 91 7.488 19.755 16.638 1.00 0.00 N ATOM 0 H LYS A 91 4.890 18.316 9.961 1.00 0.00 H new ATOM 0 HA LYS A 91 6.825 17.264 11.891 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.768 19.393 10.732 1.00 0.00 H new ATOM 0 HB3 LYS A 91 6.522 20.243 11.624 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.663 18.473 12.879 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.733 20.222 12.790 1.00 0.00 H new ATOM 0 HD2 LYS A 91 6.570 20.297 14.139 1.00 0.00 H new ATOM 0 HD3 LYS A 91 6.705 18.562 14.346 1.00 0.00 H new ATOM 0 HE2 LYS A 91 8.958 18.875 15.412 1.00 0.00 H new ATOM 0 HE3 LYS A 91 8.798 20.610 15.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 8.153 19.901 17.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.814 20.546 16.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 6.970 18.865 16.783 1.00 0.00 H new ATOM 1373 N TYR A 92 4.399 17.041 12.760 1.00 0.00 N ATOM 1374 CA TYR A 92 3.275 16.912 13.693 1.00 0.00 C ATOM 1375 C TYR A 92 3.384 17.910 14.859 1.00 0.00 C ATOM 1376 O TYR A 92 4.436 17.960 15.496 1.00 0.00 O ATOM 1377 CB TYR A 92 3.174 15.467 14.214 1.00 0.00 C ATOM 1378 CG TYR A 92 1.769 15.056 14.621 1.00 0.00 C ATOM 1379 CD1 TYR A 92 1.283 15.402 15.896 1.00 0.00 C ATOM 1380 CD2 TYR A 92 0.924 14.386 13.716 1.00 0.00 C ATOM 1381 CE1 TYR A 92 -0.059 15.150 16.234 1.00 0.00 C ATOM 1382 CE2 TYR A 92 -0.408 14.108 14.067 1.00 0.00 C ATOM 1383 CZ TYR A 92 -0.902 14.493 15.323 1.00 0.00 C ATOM 1384 OH TYR A 92 -2.195 14.210 15.661 1.00 0.00 O ATOM 0 H TYR A 92 4.704 16.145 12.380 1.00 0.00 H new ATOM 0 HA TYR A 92 2.362 17.151 13.148 1.00 0.00 H new ATOM 0 HB2 TYR A 92 3.531 14.787 13.441 1.00 0.00 H new ATOM 0 HB3 TYR A 92 3.838 15.353 15.071 1.00 0.00 H new ATOM 0 HD1 TYR A 92 1.942 15.862 16.617 1.00 0.00 H new ATOM 0 HD2 TYR A 92 1.300 14.085 12.750 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -0.441 15.462 17.195 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -1.053 13.597 13.368 1.00 0.00 H new ATOM 0 HH TYR A 92 -2.750 14.200 14.853 1.00 0.00 H new ATOM 1394 N PRO A 93 2.355 18.729 15.147 1.00 0.00 N ATOM 1395 CA PRO A 93 0.994 18.690 14.615 1.00 0.00 C ATOM 1396 C PRO A 93 0.872 19.185 13.172 1.00 0.00 C ATOM 1397 O PRO A 93 -0.150 18.943 12.533 1.00 0.00 O ATOM 1398 CB PRO A 93 0.174 19.572 15.561 1.00 0.00 C ATOM 1399 CG PRO A 93 1.195 20.600 16.045 1.00 0.00 C ATOM 1400 CD PRO A 93 2.467 19.763 16.163 1.00 0.00 C ATOM 0 HA PRO A 93 0.642 17.659 14.572 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -0.663 20.045 15.047 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -0.243 18.998 16.388 1.00 0.00 H new ATOM 0 HG2 PRO A 93 1.312 21.421 15.338 1.00 0.00 H new ATOM 0 HG3 PRO A 93 0.908 21.040 17.000 1.00 0.00 H new ATOM 0 HD2 PRO A 93 3.354 20.375 16.002 1.00 0.00 H new ATOM 0 HD3 PRO A 93 2.557 19.326 17.158 1.00 0.00 H new ATOM 1408 N ASN A 94 1.908 19.825 12.625 1.00 0.00 N ATOM 1409 CA ASN A 94 1.948 20.275 11.237 1.00 0.00 C ATOM 1410 C ASN A 94 2.239 19.062 10.350 1.00 0.00 C ATOM 1411 O ASN A 94 3.250 19.014 9.651 1.00 0.00 O ATOM 1412 CB ASN A 94 3.008 21.380 11.034 1.00 0.00 C ATOM 1413 CG ASN A 94 3.107 22.355 12.201 1.00 0.00 C ATOM 1414 OD1 ASN A 94 2.477 23.407 12.209 1.00 0.00 O ATOM 1415 ND2 ASN A 94 3.917 22.008 13.200 1.00 0.00 N ATOM 0 H ASN A 94 2.756 20.048 13.146 1.00 0.00 H new ATOM 0 HA ASN A 94 0.987 20.711 10.965 1.00 0.00 H new ATOM 0 HB2 ASN A 94 3.981 20.914 10.878 1.00 0.00 H new ATOM 0 HB3 ASN A 94 2.772 21.936 10.127 1.00 0.00 H new ATOM 0 HD21 ASN A 94 4.028 22.625 14.004 1.00 0.00 H new ATOM 0 HD22 ASN A 94 4.426 21.125 13.161 1.00 0.00 H new ATOM 1422 N CYS A 95 1.392 18.036 10.421 1.00 0.00 N ATOM 1423 CA CYS A 95 1.612 16.822 9.654 1.00 0.00 C ATOM 1424 C CYS A 95 1.459 17.133 8.169 1.00 0.00 C ATOM 1425 O CYS A 95 0.608 17.933 7.784 1.00 0.00 O ATOM 1426 CB CYS A 95 0.655 15.711 10.082 1.00 0.00 C ATOM 1427 SG CYS A 95 1.093 14.088 9.412 1.00 0.00 S ATOM 0 H CYS A 95 0.553 18.026 11.000 1.00 0.00 H new ATOM 0 HA CYS A 95 2.623 16.462 9.845 1.00 0.00 H new ATOM 0 HB2 CYS A 95 0.639 15.654 11.170 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -0.355 15.968 9.762 1.00 0.00 H new ATOM 1432 N ALA A 96 2.298 16.515 7.346 1.00 0.00 N ATOM 1433 CA ALA A 96 2.301 16.665 5.903 1.00 0.00 C ATOM 1434 C ALA A 96 2.756 15.338 5.310 1.00 0.00 C ATOM 1435 O ALA A 96 3.222 14.460 6.038 1.00 0.00 O ATOM 1436 CB ALA A 96 3.211 17.817 5.467 1.00 0.00 C ATOM 0 H ALA A 96 3.018 15.875 7.680 1.00 0.00 H new ATOM 0 HA ALA A 96 1.303 16.914 5.544 1.00 0.00 H new ATOM 0 HB1 ALA A 96 3.192 17.904 4.381 1.00 0.00 H new ATOM 0 HB2 ALA A 96 2.859 18.748 5.912 1.00 0.00 H new ATOM 0 HB3 ALA A 96 4.231 17.620 5.798 1.00 0.00 H new ATOM 1442 N TYR A 97 2.626 15.177 3.996 1.00 0.00 N ATOM 1443 CA TYR A 97 2.921 13.914 3.346 1.00 0.00 C ATOM 1444 C TYR A 97 3.134 14.169 1.854 1.00 0.00 C ATOM 1445 O TYR A 97 2.376 14.950 1.282 1.00 0.00 O ATOM 1446 CB TYR A 97 1.766 12.937 3.626 1.00 0.00 C ATOM 1447 CG TYR A 97 2.175 11.641 4.293 1.00 0.00 C ATOM 1448 CD1 TYR A 97 2.508 10.551 3.485 1.00 0.00 C ATOM 1449 CD2 TYR A 97 2.163 11.479 5.691 1.00 0.00 C ATOM 1450 CE1 TYR A 97 2.624 9.266 4.026 1.00 0.00 C ATOM 1451 CE2 TYR A 97 2.422 10.215 6.249 1.00 0.00 C ATOM 1452 CZ TYR A 97 2.654 9.109 5.413 1.00 0.00 C ATOM 1453 OH TYR A 97 3.169 7.960 5.914 1.00 0.00 O ATOM 0 H TYR A 97 2.316 15.913 3.362 1.00 0.00 H new ATOM 0 HA TYR A 97 3.834 13.463 3.734 1.00 0.00 H new ATOM 0 HB2 TYR A 97 1.031 13.437 4.257 1.00 0.00 H new ATOM 0 HB3 TYR A 97 1.271 12.703 2.684 1.00 0.00 H new ATOM 0 HD1 TYR A 97 2.678 10.702 2.429 1.00 0.00 H new ATOM 0 HD2 TYR A 97 1.956 12.323 6.333 1.00 0.00 H new ATOM 0 HE1 TYR A 97 2.690 8.405 3.378 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.443 10.093 7.322 1.00 0.00 H new ATOM 0 HH TYR A 97 3.797 8.171 6.636 1.00 0.00 H new ATOM 1463 N LYS A 98 4.160 13.555 1.249 1.00 0.00 N ATOM 1464 CA LYS A 98 4.511 13.680 -0.156 1.00 0.00 C ATOM 1465 C LYS A 98 4.161 12.401 -0.906 1.00 0.00 C ATOM 1466 O LYS A 98 4.506 11.330 -0.413 1.00 0.00 O ATOM 1467 CB LYS A 98 6.004 13.990 -0.315 1.00 0.00 C ATOM 1468 CG LYS A 98 6.452 14.211 -1.768 1.00 0.00 C ATOM 1469 CD LYS A 98 5.785 15.423 -2.429 1.00 0.00 C ATOM 1470 CE LYS A 98 6.304 15.587 -3.861 1.00 0.00 C ATOM 1471 NZ LYS A 98 5.666 16.734 -4.532 1.00 0.00 N ATOM 0 H LYS A 98 4.790 12.933 1.755 1.00 0.00 H new ATOM 0 HA LYS A 98 3.938 14.505 -0.579 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.242 14.881 0.266 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.581 13.169 0.110 1.00 0.00 H new ATOM 0 HG2 LYS A 98 7.534 14.342 -1.792 1.00 0.00 H new ATOM 0 HG3 LYS A 98 6.226 13.318 -2.351 1.00 0.00 H new ATOM 0 HD2 LYS A 98 4.703 15.294 -2.438 1.00 0.00 H new ATOM 0 HD3 LYS A 98 5.994 16.324 -1.852 1.00 0.00 H new ATOM 0 HE2 LYS A 98 7.385 15.727 -3.845 1.00 0.00 H new ATOM 0 HE3 LYS A 98 6.109 14.677 -4.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 6.037 16.820 -5.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 4.637 16.587 -4.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 5.873 17.605 -4.003 1.00 0.00 H new ATOM 1485 N THR A 99 3.515 12.512 -2.077 1.00 0.00 N ATOM 1486 CA THR A 99 3.135 11.379 -2.920 1.00 0.00 C ATOM 1487 C THR A 99 4.011 11.290 -4.171 1.00 0.00 C ATOM 1488 O THR A 99 4.610 12.286 -4.583 1.00 0.00 O ATOM 1489 CB THR A 99 1.635 11.445 -3.260 1.00 0.00 C ATOM 1490 OG1 THR A 99 1.174 10.183 -3.686 1.00 0.00 O ATOM 1491 CG2 THR A 99 1.269 12.463 -4.342 1.00 0.00 C ATOM 0 H THR A 99 3.239 13.413 -2.468 1.00 0.00 H new ATOM 0 HA THR A 99 3.307 10.460 -2.360 1.00 0.00 H new ATOM 0 HB THR A 99 1.156 11.765 -2.335 1.00 0.00 H new ATOM 0 HG1 THR A 99 1.851 9.503 -3.486 1.00 0.00 H new ATOM 0 HG21 THR A 99 0.193 12.439 -4.515 1.00 0.00 H new ATOM 0 HG22 THR A 99 1.562 13.461 -4.017 1.00 0.00 H new ATOM 0 HG23 THR A 99 1.791 12.215 -5.266 1.00 0.00 H new ATOM 1499 N THR A 100 4.084 10.109 -4.796 1.00 0.00 N ATOM 1500 CA THR A 100 4.695 9.907 -6.107 1.00 0.00 C ATOM 1501 C THR A 100 4.090 8.674 -6.779 1.00 0.00 C ATOM 1502 O THR A 100 4.100 7.594 -6.192 1.00 0.00 O ATOM 1503 CB THR A 100 6.217 9.730 -5.988 1.00 0.00 C ATOM 1504 OG1 THR A 100 6.768 10.765 -5.195 1.00 0.00 O ATOM 1505 CG2 THR A 100 6.882 9.793 -7.366 1.00 0.00 C ATOM 0 H THR A 100 3.710 9.250 -4.392 1.00 0.00 H new ATOM 0 HA THR A 100 4.496 10.792 -6.712 1.00 0.00 H new ATOM 0 HB THR A 100 6.400 8.757 -5.531 1.00 0.00 H new ATOM 0 HG1 THR A 100 7.421 11.270 -5.723 1.00 0.00 H new ATOM 0 HG21 THR A 100 7.959 9.665 -7.256 1.00 0.00 H new ATOM 0 HG22 THR A 100 6.485 8.999 -7.998 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.676 10.760 -7.825 1.00 0.00 H new ATOM 1513 N GLN A 101 3.609 8.820 -8.017 1.00 0.00 N ATOM 1514 CA GLN A 101 3.192 7.692 -8.837 1.00 0.00 C ATOM 1515 C GLN A 101 4.388 7.181 -9.639 1.00 0.00 C ATOM 1516 O GLN A 101 5.049 7.979 -10.301 1.00 0.00 O ATOM 1517 CB GLN A 101 2.025 8.087 -9.749 1.00 0.00 C ATOM 1518 CG GLN A 101 0.882 8.714 -8.939 1.00 0.00 C ATOM 1519 CD GLN A 101 -0.459 8.570 -9.649 1.00 0.00 C ATOM 1520 OE1 GLN A 101 -0.929 9.492 -10.309 1.00 0.00 O ATOM 1521 NE2 GLN A 101 -1.103 7.416 -9.501 1.00 0.00 N ATOM 0 H GLN A 101 3.500 9.725 -8.474 1.00 0.00 H new ATOM 0 HA GLN A 101 2.837 6.886 -8.195 1.00 0.00 H new ATOM 0 HB2 GLN A 101 2.371 8.794 -10.503 1.00 0.00 H new ATOM 0 HB3 GLN A 101 1.660 7.208 -10.280 1.00 0.00 H new ATOM 0 HG2 GLN A 101 0.828 8.239 -7.959 1.00 0.00 H new ATOM 0 HG3 GLN A 101 1.093 9.770 -8.770 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -0.687 6.668 -8.947 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -2.013 7.279 -9.942 1.00 0.00 H new ATOM 1530 N VAL A 102 4.683 5.879 -9.573 1.00 0.00 N ATOM 1531 CA VAL A 102 5.761 5.246 -10.308 1.00 0.00 C ATOM 1532 C VAL A 102 5.230 3.983 -10.990 1.00 0.00 C ATOM 1533 O VAL A 102 4.369 3.305 -10.438 1.00 0.00 O ATOM 1534 CB VAL A 102 6.920 4.930 -9.351 1.00 0.00 C ATOM 1535 CG1 VAL A 102 7.519 6.209 -8.754 1.00 0.00 C ATOM 1536 CG2 VAL A 102 6.551 3.968 -8.215 1.00 0.00 C ATOM 0 H VAL A 102 4.160 5.227 -8.989 1.00 0.00 H new ATOM 0 HA VAL A 102 6.140 5.916 -11.080 1.00 0.00 H new ATOM 0 HB VAL A 102 7.660 4.425 -9.972 1.00 0.00 H new ATOM 0 HG11 VAL A 102 8.336 5.949 -8.082 1.00 0.00 H new ATOM 0 HG12 VAL A 102 7.897 6.843 -9.556 1.00 0.00 H new ATOM 0 HG13 VAL A 102 6.750 6.746 -8.199 1.00 0.00 H new ATOM 0 HG21 VAL A 102 7.424 3.797 -7.585 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.751 4.402 -7.616 1.00 0.00 H new ATOM 0 HG23 VAL A 102 6.216 3.020 -8.636 1.00 0.00 H new ATOM 1546 N GLU A 103 5.738 3.670 -12.184 1.00 0.00 N ATOM 1547 CA GLU A 103 5.408 2.457 -12.924 1.00 0.00 C ATOM 1548 C GLU A 103 6.506 1.421 -12.702 1.00 0.00 C ATOM 1549 O GLU A 103 7.438 1.328 -13.497 1.00 0.00 O ATOM 1550 CB GLU A 103 5.130 2.763 -14.403 1.00 0.00 C ATOM 1551 CG GLU A 103 6.095 3.796 -14.985 1.00 0.00 C ATOM 1552 CD GLU A 103 5.945 3.911 -16.499 1.00 0.00 C ATOM 1553 OE1 GLU A 103 4.813 4.218 -16.932 1.00 0.00 O ATOM 1554 OE2 GLU A 103 6.961 3.688 -17.192 1.00 0.00 O ATOM 0 H GLU A 103 6.405 4.268 -12.671 1.00 0.00 H new ATOM 0 HA GLU A 103 4.479 2.030 -12.547 1.00 0.00 H new ATOM 0 HB2 GLU A 103 5.201 1.841 -14.980 1.00 0.00 H new ATOM 0 HB3 GLU A 103 4.108 3.127 -14.508 1.00 0.00 H new ATOM 0 HG2 GLU A 103 5.911 4.767 -14.525 1.00 0.00 H new ATOM 0 HG3 GLU A 103 7.120 3.517 -14.740 1.00 0.00 H new ATOM 1561 N LYS A 104 6.412 0.657 -11.610 1.00 0.00 N ATOM 1562 CA LYS A 104 7.415 -0.318 -11.214 1.00 0.00 C ATOM 1563 C LYS A 104 6.697 -1.502 -10.583 1.00 0.00 C ATOM 1564 O LYS A 104 5.509 -1.422 -10.278 1.00 0.00 O ATOM 1565 CB LYS A 104 8.415 0.274 -10.209 1.00 0.00 C ATOM 1566 CG LYS A 104 9.172 1.521 -10.692 1.00 0.00 C ATOM 1567 CD LYS A 104 10.186 1.186 -11.796 1.00 0.00 C ATOM 1568 CE LYS A 104 10.834 2.451 -12.373 1.00 0.00 C ATOM 1569 NZ LYS A 104 11.599 3.196 -11.358 1.00 0.00 N ATOM 0 H LYS A 104 5.620 0.705 -10.969 1.00 0.00 H new ATOM 0 HA LYS A 104 7.980 -0.625 -12.094 1.00 0.00 H new ATOM 0 HB2 LYS A 104 7.879 0.526 -9.294 1.00 0.00 H new ATOM 0 HB3 LYS A 104 9.143 -0.495 -9.950 1.00 0.00 H new ATOM 0 HG2 LYS A 104 8.459 2.256 -11.065 1.00 0.00 H new ATOM 0 HG3 LYS A 104 9.691 1.979 -9.850 1.00 0.00 H new ATOM 0 HD2 LYS A 104 10.959 0.532 -11.394 1.00 0.00 H new ATOM 0 HD3 LYS A 104 9.687 0.636 -12.594 1.00 0.00 H new ATOM 0 HE2 LYS A 104 11.495 2.176 -13.195 1.00 0.00 H new ATOM 0 HE3 LYS A 104 10.060 3.096 -12.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 12.074 4.005 -11.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 10.953 3.540 -10.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 12.311 2.570 -10.931 1.00 0.00 H new ATOM 1583 N HIS A 105 7.407 -2.615 -10.417 1.00 0.00 N ATOM 1584 CA HIS A 105 6.847 -3.822 -9.833 1.00 0.00 C ATOM 1585 C HIS A 105 6.836 -3.691 -8.325 1.00 0.00 C ATOM 1586 O HIS A 105 7.804 -3.188 -7.745 1.00 0.00 O ATOM 1587 CB HIS A 105 7.607 -5.063 -10.302 1.00 0.00 C ATOM 1588 CG HIS A 105 9.108 -4.965 -10.228 1.00 0.00 C ATOM 1589 ND1 HIS A 105 9.844 -4.576 -9.124 1.00 0.00 N ATOM 1590 CD2 HIS A 105 9.980 -5.323 -11.218 1.00 0.00 C ATOM 1591 CE1 HIS A 105 11.146 -4.703 -9.441 1.00 0.00 C ATOM 1592 NE2 HIS A 105 11.250 -5.150 -10.708 1.00 0.00 N ATOM 0 H HIS A 105 8.387 -2.701 -10.685 1.00 0.00 H new ATOM 0 HA HIS A 105 5.818 -3.946 -10.171 1.00 0.00 H new ATOM 0 HB2 HIS A 105 7.285 -5.914 -9.702 1.00 0.00 H new ATOM 0 HB3 HIS A 105 7.324 -5.274 -11.333 1.00 0.00 H new ATOM 0 HD1 HIS A 105 9.469 -4.252 -8.232 1.00 0.00 H new ATOM 0 HD2 HIS A 105 9.724 -5.673 -12.207 1.00 0.00 H new ATOM 0 HE1 HIS A 105 11.975 -4.482 -8.785 1.00 0.00 H new ATOM 1601 N ILE A 106 5.743 -4.147 -7.713 1.00 0.00 N ATOM 1602 CA ILE A 106 5.647 -4.224 -6.262 1.00 0.00 C ATOM 1603 C ILE A 106 5.385 -5.646 -5.805 1.00 0.00 C ATOM 1604 O ILE A 106 4.868 -6.473 -6.554 1.00 0.00 O ATOM 1605 CB ILE A 106 4.690 -3.187 -5.642 1.00 0.00 C ATOM 1606 CG1 ILE A 106 3.218 -3.624 -5.545 1.00 0.00 C ATOM 1607 CG2 ILE A 106 4.807 -1.842 -6.366 1.00 0.00 C ATOM 1608 CD1 ILE A 106 2.476 -2.820 -4.474 1.00 0.00 C ATOM 0 H ILE A 106 4.910 -4.469 -8.206 1.00 0.00 H new ATOM 0 HA ILE A 106 6.623 -3.940 -5.869 1.00 0.00 H new ATOM 0 HB ILE A 106 5.020 -3.087 -4.608 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.730 -3.488 -6.510 1.00 0.00 H new ATOM 0 HG13 ILE A 106 3.165 -4.687 -5.309 1.00 0.00 H new ATOM 0 HG21 ILE A 106 4.123 -1.124 -5.913 1.00 0.00 H new ATOM 0 HG22 ILE A 106 5.829 -1.472 -6.283 1.00 0.00 H new ATOM 0 HG23 ILE A 106 4.552 -1.972 -7.418 1.00 0.00 H new ATOM 0 HD11 ILE A 106 1.438 -3.149 -4.426 1.00 0.00 H new ATOM 0 HD12 ILE A 106 2.952 -2.978 -3.506 1.00 0.00 H new ATOM 0 HD13 ILE A 106 2.510 -1.760 -4.726 1.00 0.00 H new ATOM 1620 N ILE A 107 5.822 -5.922 -4.580 1.00 0.00 N ATOM 1621 CA ILE A 107 5.794 -7.228 -3.974 1.00 0.00 C ATOM 1622 C ILE A 107 4.974 -7.074 -2.702 1.00 0.00 C ATOM 1623 O ILE A 107 5.320 -6.273 -1.827 1.00 0.00 O ATOM 1624 CB ILE A 107 7.233 -7.715 -3.715 1.00 0.00 C ATOM 1625 CG1 ILE A 107 8.072 -7.945 -4.989 1.00 0.00 C ATOM 1626 CG2 ILE A 107 7.196 -9.059 -2.976 1.00 0.00 C ATOM 1627 CD1 ILE A 107 8.408 -6.687 -5.799 1.00 0.00 C ATOM 0 H ILE A 107 6.218 -5.208 -3.968 1.00 0.00 H new ATOM 0 HA ILE A 107 5.341 -7.986 -4.613 1.00 0.00 H new ATOM 0 HB ILE A 107 7.699 -6.916 -3.138 1.00 0.00 H new ATOM 0 HG12 ILE A 107 9.005 -8.432 -4.705 1.00 0.00 H new ATOM 0 HG13 ILE A 107 7.535 -8.639 -5.636 1.00 0.00 H new ATOM 0 HG21 ILE A 107 8.214 -9.402 -2.794 1.00 0.00 H new ATOM 0 HG22 ILE A 107 6.678 -8.937 -2.025 1.00 0.00 H new ATOM 0 HG23 ILE A 107 6.669 -9.794 -3.584 1.00 0.00 H new ATOM 0 HD11 ILE A 107 9.000 -6.963 -6.672 1.00 0.00 H new ATOM 0 HD12 ILE A 107 7.485 -6.206 -6.124 1.00 0.00 H new ATOM 0 HD13 ILE A 107 8.978 -5.996 -5.178 1.00 0.00 H new ATOM 1639 N VAL A 108 3.878 -7.825 -2.616 1.00 0.00 N ATOM 1640 CA VAL A 108 3.122 -7.970 -1.389 1.00 0.00 C ATOM 1641 C VAL A 108 3.572 -9.269 -0.725 1.00 0.00 C ATOM 1642 O VAL A 108 4.390 -9.995 -1.288 1.00 0.00 O ATOM 1643 CB VAL A 108 1.608 -7.920 -1.669 1.00 0.00 C ATOM 1644 CG1 VAL A 108 1.216 -6.565 -2.270 1.00 0.00 C ATOM 1645 CG2 VAL A 108 1.130 -9.053 -2.584 1.00 0.00 C ATOM 0 H VAL A 108 3.494 -8.349 -3.402 1.00 0.00 H new ATOM 0 HA VAL A 108 3.313 -7.143 -0.705 1.00 0.00 H new ATOM 0 HB VAL A 108 1.113 -8.054 -0.707 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.143 -6.548 -2.461 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.472 -5.769 -1.571 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.754 -6.413 -3.206 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.055 -8.963 -2.744 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.646 -8.989 -3.542 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.348 -10.014 -2.118 1.00 0.00 H new ATOM 1655 N ALA A 109 3.045 -9.587 0.456 1.00 0.00 N ATOM 1656 CA ALA A 109 3.226 -10.889 1.073 1.00 0.00 C ATOM 1657 C ALA A 109 1.933 -11.300 1.749 1.00 0.00 C ATOM 1658 O ALA A 109 1.170 -10.437 2.194 1.00 0.00 O ATOM 1659 CB ALA A 109 4.410 -10.875 2.044 1.00 0.00 C ATOM 0 H ALA A 109 2.480 -8.943 1.009 1.00 0.00 H new ATOM 0 HA ALA A 109 3.464 -11.629 0.309 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.524 -11.862 2.493 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.320 -10.614 1.504 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.229 -10.139 2.827 1.00 0.00 H new ATOM 1665 N CYS A 110 1.674 -12.612 1.767 1.00 0.00 N ATOM 1666 CA CYS A 110 0.400 -13.166 2.200 1.00 0.00 C ATOM 1667 C CYS A 110 0.524 -13.843 3.554 1.00 0.00 C ATOM 1668 O CYS A 110 1.596 -14.318 3.928 1.00 0.00 O ATOM 1669 CB CYS A 110 -0.187 -14.118 1.155 1.00 0.00 C ATOM 1670 SG CYS A 110 -0.569 -13.327 -0.422 1.00 0.00 S ATOM 0 H CYS A 110 2.351 -13.318 1.478 1.00 0.00 H new ATOM 0 HA CYS A 110 -0.295 -12.333 2.308 1.00 0.00 H new ATOM 0 HB2 CYS A 110 0.518 -14.931 0.981 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -1.097 -14.565 1.556 1.00 0.00 H new ATOM 1675 N GLY A 111 -0.582 -13.846 4.300 1.00 0.00 N ATOM 1676 CA GLY A 111 -0.630 -14.421 5.631 1.00 0.00 C ATOM 1677 C GLY A 111 -0.703 -15.945 5.573 1.00 0.00 C ATOM 1678 O GLY A 111 -0.901 -16.533 4.510 1.00 0.00 O ATOM 0 H GLY A 111 -1.468 -13.447 3.991 1.00 0.00 H new ATOM 0 HA2 GLY A 111 0.254 -14.118 6.193 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -1.497 -14.033 6.166 1.00 0.00 H new ATOM 1682 N GLY A 112 -0.553 -16.582 6.739 1.00 0.00 N ATOM 1683 CA GLY A 112 -0.855 -17.992 6.890 1.00 0.00 C ATOM 1684 C GLY A 112 -2.357 -18.189 6.698 1.00 0.00 C ATOM 1685 O GLY A 112 -3.118 -17.228 6.786 1.00 0.00 O ATOM 0 H GLY A 112 -0.221 -16.132 7.592 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -0.299 -18.579 6.158 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -0.550 -18.341 7.877 1.00 0.00 H new ATOM 1689 N LYS A 113 -2.754 -19.435 6.429 1.00 0.00 N ATOM 1690 CA LYS A 113 -4.094 -19.827 6.000 1.00 0.00 C ATOM 1691 C LYS A 113 -5.216 -18.970 6.627 1.00 0.00 C ATOM 1692 O LYS A 113 -5.310 -18.908 7.854 1.00 0.00 O ATOM 1693 CB LYS A 113 -4.301 -21.331 6.247 1.00 0.00 C ATOM 1694 CG LYS A 113 -4.124 -21.760 7.713 1.00 0.00 C ATOM 1695 CD LYS A 113 -4.288 -23.280 7.843 1.00 0.00 C ATOM 1696 CE LYS A 113 -4.060 -23.755 9.284 1.00 0.00 C ATOM 1697 NZ LYS A 113 -5.050 -23.190 10.219 1.00 0.00 N ATOM 0 H LYS A 113 -2.121 -20.231 6.508 1.00 0.00 H new ATOM 0 HA LYS A 113 -4.164 -19.635 4.929 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -5.303 -21.607 5.918 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -3.597 -21.889 5.629 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -3.139 -21.461 8.071 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -4.858 -21.253 8.339 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -5.289 -23.567 7.519 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -3.583 -23.780 7.179 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -4.110 -24.843 9.318 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -3.057 -23.472 9.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -4.933 -23.628 11.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -4.907 -22.163 10.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -6.009 -23.381 9.866 1.00 0.00 H new ATOM 1711 N PRO A 114 -6.085 -18.325 5.828 1.00 0.00 N ATOM 1712 CA PRO A 114 -6.157 -18.393 4.374 1.00 0.00 C ATOM 1713 C PRO A 114 -5.048 -17.578 3.702 1.00 0.00 C ATOM 1714 O PRO A 114 -4.539 -16.603 4.248 1.00 0.00 O ATOM 1715 CB PRO A 114 -7.536 -17.838 4.015 1.00 0.00 C ATOM 1716 CG PRO A 114 -7.808 -16.834 5.137 1.00 0.00 C ATOM 1717 CD PRO A 114 -7.157 -17.495 6.351 1.00 0.00 C ATOM 0 HA PRO A 114 -6.018 -19.415 4.022 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -7.535 -17.358 3.036 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -8.291 -18.623 3.985 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -7.368 -15.860 4.923 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -8.876 -16.676 5.287 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -6.769 -16.746 7.042 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -7.880 -18.094 6.904 1.00 0.00 H new ATOM 1725 N SER A 115 -4.680 -17.978 2.486 1.00 0.00 N ATOM 1726 CA SER A 115 -3.690 -17.307 1.667 1.00 0.00 C ATOM 1727 C SER A 115 -4.267 -15.984 1.153 1.00 0.00 C ATOM 1728 O SER A 115 -4.786 -15.925 0.039 1.00 0.00 O ATOM 1729 CB SER A 115 -3.301 -18.266 0.530 1.00 0.00 C ATOM 1730 OG SER A 115 -4.368 -19.168 0.264 1.00 0.00 O ATOM 0 H SER A 115 -5.078 -18.803 2.037 1.00 0.00 H new ATOM 0 HA SER A 115 -2.793 -17.059 2.234 1.00 0.00 H new ATOM 0 HB2 SER A 115 -3.062 -17.698 -0.369 1.00 0.00 H new ATOM 0 HB3 SER A 115 -2.404 -18.822 0.804 1.00 0.00 H new ATOM 0 HG SER A 115 -5.173 -18.662 0.025 1.00 0.00 H new ATOM 1736 N VAL A 116 -4.182 -14.926 1.965 1.00 0.00 N ATOM 1737 CA VAL A 116 -4.657 -13.588 1.619 1.00 0.00 C ATOM 1738 C VAL A 116 -3.525 -12.561 1.798 1.00 0.00 C ATOM 1739 O VAL A 116 -2.694 -12.738 2.694 1.00 0.00 O ATOM 1740 CB VAL A 116 -5.918 -13.253 2.437 1.00 0.00 C ATOM 1741 CG1 VAL A 116 -7.062 -14.212 2.089 1.00 0.00 C ATOM 1742 CG2 VAL A 116 -5.684 -13.277 3.956 1.00 0.00 C ATOM 0 H VAL A 116 -3.773 -14.979 2.898 1.00 0.00 H new ATOM 0 HA VAL A 116 -4.944 -13.552 0.568 1.00 0.00 H new ATOM 0 HB VAL A 116 -6.185 -12.232 2.164 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -7.943 -13.957 2.679 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -7.298 -14.127 1.028 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -6.760 -15.235 2.312 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -6.613 -13.032 4.471 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -5.353 -14.271 4.257 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -4.920 -12.545 4.218 1.00 0.00 H new ATOM 1752 N PRO A 117 -3.456 -11.514 0.953 1.00 0.00 N ATOM 1753 CA PRO A 117 -2.369 -10.538 0.946 1.00 0.00 C ATOM 1754 C PRO A 117 -2.446 -9.665 2.194 1.00 0.00 C ATOM 1755 O PRO A 117 -3.465 -9.022 2.416 1.00 0.00 O ATOM 1756 CB PRO A 117 -2.560 -9.720 -0.334 1.00 0.00 C ATOM 1757 CG PRO A 117 -4.069 -9.780 -0.567 1.00 0.00 C ATOM 1758 CD PRO A 117 -4.440 -11.175 -0.067 1.00 0.00 C ATOM 0 HA PRO A 117 -1.385 -11.007 0.960 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -2.212 -8.694 -0.212 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -2.006 -10.147 -1.170 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -4.594 -9.001 -0.014 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -4.320 -9.649 -1.620 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -5.449 -11.185 0.346 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -4.422 -11.899 -0.882 1.00 0.00 H new ATOM 1766 N VAL A 118 -1.390 -9.650 3.014 1.00 0.00 N ATOM 1767 CA VAL A 118 -1.395 -9.031 4.330 1.00 0.00 C ATOM 1768 C VAL A 118 -0.352 -7.935 4.492 1.00 0.00 C ATOM 1769 O VAL A 118 -0.525 -7.053 5.334 1.00 0.00 O ATOM 1770 CB VAL A 118 -1.297 -10.118 5.416 1.00 0.00 C ATOM 1771 CG1 VAL A 118 0.071 -10.810 5.445 1.00 0.00 C ATOM 1772 CG2 VAL A 118 -1.575 -9.534 6.803 1.00 0.00 C ATOM 0 H VAL A 118 -0.496 -10.077 2.771 1.00 0.00 H new ATOM 0 HA VAL A 118 -2.346 -8.511 4.448 1.00 0.00 H new ATOM 0 HB VAL A 118 -2.052 -10.861 5.159 1.00 0.00 H new ATOM 0 HG11 VAL A 118 0.080 -11.566 6.230 1.00 0.00 H new ATOM 0 HG12 VAL A 118 0.259 -11.285 4.482 1.00 0.00 H new ATOM 0 HG13 VAL A 118 0.848 -10.072 5.643 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -1.499 -10.323 7.552 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -0.846 -8.754 7.022 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -2.578 -9.109 6.824 1.00 0.00 H new ATOM 1782 N HIS A 119 0.747 -8.000 3.740 1.00 0.00 N ATOM 1783 CA HIS A 119 1.833 -7.044 3.873 1.00 0.00 C ATOM 1784 C HIS A 119 2.269 -6.519 2.517 1.00 0.00 C ATOM 1785 O HIS A 119 2.167 -7.208 1.507 1.00 0.00 O ATOM 1786 CB HIS A 119 3.022 -7.673 4.608 1.00 0.00 C ATOM 1787 CG HIS A 119 2.799 -7.975 6.069 1.00 0.00 C ATOM 1788 ND1 HIS A 119 1.737 -7.548 6.845 1.00 0.00 N ATOM 1789 CD2 HIS A 119 3.642 -8.697 6.867 1.00 0.00 C ATOM 1790 CE1 HIS A 119 1.929 -8.013 8.093 1.00 0.00 C ATOM 1791 NE2 HIS A 119 3.080 -8.711 8.129 1.00 0.00 N ATOM 0 H HIS A 119 0.904 -8.713 3.028 1.00 0.00 H new ATOM 0 HA HIS A 119 1.466 -6.203 4.461 1.00 0.00 H new ATOM 0 HB2 HIS A 119 3.291 -8.600 4.101 1.00 0.00 H new ATOM 0 HB3 HIS A 119 3.877 -7.002 4.520 1.00 0.00 H new ATOM 0 HD1 HIS A 119 0.950 -6.982 6.528 1.00 0.00 H new ATOM 0 HD2 HIS A 119 4.568 -9.166 6.569 1.00 0.00 H new ATOM 0 HE1 HIS A 119 1.267 -7.852 8.931 1.00 0.00 H new ATOM 1800 N PHE A 120 2.786 -5.291 2.535 1.00 0.00 N ATOM 1801 CA PHE A 120 3.496 -4.662 1.443 1.00 0.00 C ATOM 1802 C PHE A 120 4.970 -4.906 1.735 1.00 0.00 C ATOM 1803 O PHE A 120 5.482 -4.390 2.725 1.00 0.00 O ATOM 1804 CB PHE A 120 3.169 -3.165 1.438 1.00 0.00 C ATOM 1805 CG PHE A 120 4.106 -2.314 0.608 1.00 0.00 C ATOM 1806 CD1 PHE A 120 4.211 -2.526 -0.778 1.00 0.00 C ATOM 1807 CD2 PHE A 120 4.898 -1.330 1.228 1.00 0.00 C ATOM 1808 CE1 PHE A 120 5.073 -1.725 -1.544 1.00 0.00 C ATOM 1809 CE2 PHE A 120 5.747 -0.520 0.458 1.00 0.00 C ATOM 1810 CZ PHE A 120 5.834 -0.718 -0.929 1.00 0.00 C ATOM 0 H PHE A 120 2.713 -4.687 3.354 1.00 0.00 H new ATOM 0 HA PHE A 120 3.222 -5.058 0.465 1.00 0.00 H new ATOM 0 HB2 PHE A 120 2.153 -3.030 1.066 1.00 0.00 H new ATOM 0 HB3 PHE A 120 3.184 -2.801 2.465 1.00 0.00 H new ATOM 0 HD1 PHE A 120 3.630 -3.303 -1.252 1.00 0.00 H new ATOM 0 HD2 PHE A 120 4.852 -1.198 2.299 1.00 0.00 H new ATOM 0 HE1 PHE A 120 5.151 -1.884 -2.609 1.00 0.00 H new ATOM 0 HE2 PHE A 120 6.332 0.254 0.932 1.00 0.00 H new ATOM 0 HZ PHE A 120 6.487 -0.096 -1.523 1.00 0.00 H new ATOM 1820 N ASP A 121 5.625 -5.737 0.925 1.00 0.00 N ATOM 1821 CA ASP A 121 7.038 -6.028 1.105 1.00 0.00 C ATOM 1822 C ASP A 121 7.871 -4.849 0.608 1.00 0.00 C ATOM 1823 O ASP A 121 8.649 -4.284 1.372 1.00 0.00 O ATOM 1824 CB ASP A 121 7.419 -7.324 0.383 1.00 0.00 C ATOM 1825 CG ASP A 121 8.872 -7.701 0.646 1.00 0.00 C ATOM 1826 OD1 ASP A 121 9.108 -8.380 1.670 1.00 0.00 O ATOM 1827 OD2 ASP A 121 9.719 -7.317 -0.189 1.00 0.00 O ATOM 0 H ASP A 121 5.194 -6.220 0.137 1.00 0.00 H new ATOM 0 HA ASP A 121 7.243 -6.173 2.166 1.00 0.00 H new ATOM 0 HB2 ASP A 121 6.766 -8.132 0.714 1.00 0.00 H new ATOM 0 HB3 ASP A 121 7.261 -7.205 -0.689 1.00 0.00 H new ATOM 1832 N ALA A 122 7.721 -4.490 -0.672 1.00 0.00 N ATOM 1833 CA ALA A 122 8.519 -3.438 -1.291 1.00 0.00 C ATOM 1834 C ALA A 122 7.981 -3.084 -2.677 1.00 0.00 C ATOM 1835 O ALA A 122 7.161 -3.817 -3.232 1.00 0.00 O ATOM 1836 CB ALA A 122 9.980 -3.898 -1.416 1.00 0.00 C ATOM 0 H ALA A 122 7.044 -4.922 -1.302 1.00 0.00 H new ATOM 0 HA ALA A 122 8.461 -2.552 -0.658 1.00 0.00 H new ATOM 0 HB1 ALA A 122 10.572 -3.108 -1.879 1.00 0.00 H new ATOM 0 HB2 ALA A 122 10.379 -4.117 -0.425 1.00 0.00 H new ATOM 0 HB3 ALA A 122 10.027 -4.796 -2.032 1.00 0.00 H new ATOM 1842 N SER A 123 8.491 -1.981 -3.236 1.00 0.00 N ATOM 1843 CA SER A 123 8.334 -1.588 -4.630 1.00 0.00 C ATOM 1844 C SER A 123 9.724 -1.516 -5.248 1.00 0.00 C ATOM 1845 O SER A 123 10.699 -1.321 -4.524 1.00 0.00 O ATOM 1846 CB SER A 123 7.659 -0.223 -4.760 1.00 0.00 C ATOM 1847 OG SER A 123 6.431 -0.196 -4.064 1.00 0.00 O ATOM 0 H SER A 123 9.047 -1.313 -2.702 1.00 0.00 H new ATOM 0 HA SER A 123 7.704 -2.318 -5.137 1.00 0.00 H new ATOM 0 HB2 SER A 123 8.319 0.551 -4.370 1.00 0.00 H new ATOM 0 HB3 SER A 123 7.489 0.004 -5.813 1.00 0.00 H new ATOM 0 HG SER A 123 6.501 -0.747 -3.256 1.00 0.00 H new ATOM 1853 N VAL A 124 9.798 -1.628 -6.577 1.00 0.00 N ATOM 1854 CA VAL A 124 11.036 -1.573 -7.348 1.00 0.00 C ATOM 1855 C VAL A 124 12.136 -2.434 -6.698 1.00 0.00 C ATOM 1856 O VAL A 124 13.282 -1.954 -6.566 1.00 0.00 O ATOM 1857 CB VAL A 124 11.398 -0.111 -7.701 1.00 0.00 C ATOM 1858 CG1 VAL A 124 11.761 0.789 -6.510 1.00 0.00 C ATOM 1859 CG2 VAL A 124 12.485 -0.025 -8.781 1.00 0.00 C ATOM 1860 OXT VAL A 124 11.801 -3.596 -6.372 1.00 0.00 O ATOM 0 H VAL A 124 8.972 -1.763 -7.160 1.00 0.00 H new ATOM 0 HA VAL A 124 10.901 -2.043 -8.322 1.00 0.00 H new ATOM 0 HB VAL A 124 10.463 0.288 -8.095 1.00 0.00 H new ATOM 0 HG11 VAL A 124 11.997 1.791 -6.869 1.00 0.00 H new ATOM 0 HG12 VAL A 124 10.917 0.840 -5.822 1.00 0.00 H new ATOM 0 HG13 VAL A 124 12.627 0.376 -5.992 1.00 0.00 H new ATOM 0 HG21 VAL A 124 12.704 1.021 -8.994 1.00 0.00 H new ATOM 0 HG22 VAL A 124 13.389 -0.521 -8.427 1.00 0.00 H new ATOM 0 HG23 VAL A 124 12.135 -0.515 -9.690 1.00 0.00 H new TER 1870 VAL A 124