USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 857 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 67 GLN : amide:sc= 0.35 K(o=0.11,f=-0.9) USER MOD Set 1.2: A 70 GLN : amide:sc= -0.245 K(o=0.11,f=-1.3) USER MOD Set 2.1: A 57 LYS NZ :NH3+ 151:sc= 2.86 (180deg=2.06) USER MOD Set 2.2: A 110 HIS : no HE2:sc= 1.91 K(o=4.8,f=-7.2!) USER MOD Set 3.1: A 31 HIS : no HE2:sc= 0.728 K(o=1.7,f=-6.6!) USER MOD Set 3.2: A 34 GLN : amide:sc= 0.979 K(o=1.7,f=-1.7) USER MOD Set 4.1: A 24 HIS : no HE2:sc= 0.936 K(o=0.94,f=-3.4!) USER MOD Set 4.2: A 28 GLN :FLIP amide:sc= 0 F(o=0.28,f=0.94) USER MOD Set 5.1: A 8 TYR OH : rot -0:sc= 0.733 USER MOD Set 5.2: A 12 HIS : no HE2:sc= -0.225 K(o=0.51,f=-1.5!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -168:sc= 1.39 (180deg=1.26) USER MOD Single : A 13 MET CE :methyl 178:sc= 0 (180deg=-0.00537) USER MOD Single : A 14 LYS NZ :NH3+ 178:sc= 0.578 (180deg=0.547) USER MOD Single : A 15 LYS NZ :NH3+ 173:sc= 0.245 (180deg=0.0864) USER MOD Single : A 16 MET CE :methyl -172:sc= 0 (180deg=-0.0972) USER MOD Single : A 17 MET CE :methyl 175:sc= 0 (180deg=-0.0215) USER MOD Single : A 18 LYS NZ :NH3+ 172:sc= 0.709 (180deg=0.69) USER MOD Single : A 29 SER OG : rot -48:sc= 1.14 USER MOD Single : A 38 HIS : no HD1:sc= -0.0956 X(o=-0.096,f=-0.59) USER MOD Single : A 39 LYS NZ :NH3+ 142:sc= 1.54 (180deg=-0.654) USER MOD Single : A 41 GLN :FLIP amide:sc=-0.00206 F(o=-0.65,f=-0.0021) USER MOD Single : A 44 HIS : no HD1:sc= -0.113 K(o=-0.11,f=-0.68) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -151:sc= 1.24 (180deg=1.22) USER MOD Single : A 53 HIS : no HD1:sc= -0.678 K(o=-0.68,f=-2.8!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.0118 K(o=-0.012,f=-1) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot -150:sc= -1.01 USER MOD Single : A 81 ASN : amide:sc= -0.415 K(o=-0.41,f=-3.4!) USER MOD Single : A 88 TYR OH : rot 168:sc= 0.909 USER MOD Single : A 95 GLN : amide:sc= 0.553 K(o=0.55,f=-3.9!) USER MOD Single : A 102 LYS NZ :NH3+ -118:sc= -0.635 (180deg=-1.39) USER MOD Single : A 105 LYS NZ :NH3+ 178:sc= -0.624 (180deg=-0.656) USER MOD Single : A 109 SER OG : rot -24:sc= 1.25 USER MOD Single : A 111 SER OG : rot -12:sc= 1.13 USER MOD Single : A 112 SER OG : rot 74:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 84 N ARG A 7 4.985 29.649 4.865 1.00 0.00 N ATOM 85 CA ARG A 7 3.528 29.562 4.946 1.00 0.00 C ATOM 86 C ARG A 7 2.984 28.344 4.226 1.00 0.00 C ATOM 87 O ARG A 7 1.815 28.041 4.371 1.00 0.00 O ATOM 88 CB ARG A 7 2.856 30.834 4.430 1.00 0.00 C ATOM 89 CG ARG A 7 3.223 32.106 5.212 1.00 0.00 C ATOM 90 CD ARG A 7 2.819 32.011 6.681 1.00 0.00 C ATOM 91 NE ARG A 7 3.102 33.259 7.407 1.00 0.00 N ATOM 92 CZ ARG A 7 3.030 33.409 8.725 1.00 0.00 C ATOM 93 NH1 ARG A 7 2.700 32.425 9.525 1.00 0.00 N ATOM 94 NH2 ARG A 7 3.297 34.573 9.250 1.00 0.00 N ATOM 0 HA ARG A 7 3.287 29.454 6.003 1.00 0.00 H new ATOM 0 HB2 ARG A 7 3.126 30.975 3.383 1.00 0.00 H new ATOM 0 HB3 ARG A 7 1.775 30.699 4.465 1.00 0.00 H new ATOM 0 HG2 ARG A 7 4.297 32.277 5.142 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.733 32.966 4.756 1.00 0.00 H new ATOM 0 HD2 ARG A 7 1.756 31.783 6.752 1.00 0.00 H new ATOM 0 HD3 ARG A 7 3.354 31.187 7.153 1.00 0.00 H new ATOM 0 HE ARG A 7 3.375 34.072 6.855 1.00 0.00 H new ATOM 0 HH11 ARG A 7 2.488 31.504 9.140 1.00 0.00 H new ATOM 0 HH12 ARG A 7 2.656 32.580 10.532 1.00 0.00 H new ATOM 0 HH21 ARG A 7 3.558 35.355 8.650 1.00 0.00 H new ATOM 0 HH22 ARG A 7 3.245 34.701 10.261 1.00 0.00 H new ATOM 108 N TYR A 8 3.812 27.639 3.474 1.00 0.00 N ATOM 109 CA TYR A 8 3.366 26.405 2.815 1.00 0.00 C ATOM 110 C TYR A 8 3.514 25.209 3.783 1.00 0.00 C ATOM 111 O TYR A 8 2.850 24.162 3.644 1.00 0.00 O ATOM 112 CB TYR A 8 4.222 26.237 1.541 1.00 0.00 C ATOM 113 CG TYR A 8 4.731 24.847 1.204 1.00 0.00 C ATOM 114 CD1 TYR A 8 4.202 24.141 0.108 1.00 0.00 C ATOM 115 CD2 TYR A 8 5.767 24.239 1.952 1.00 0.00 C ATOM 116 CE1 TYR A 8 4.699 22.860 -0.243 1.00 0.00 C ATOM 117 CE2 TYR A 8 6.256 22.957 1.604 1.00 0.00 C ATOM 118 CZ TYR A 8 5.722 22.286 0.506 1.00 0.00 C ATOM 119 OH TYR A 8 6.204 21.059 0.156 1.00 0.00 O ATOM 0 H TYR A 8 4.786 27.888 3.301 1.00 0.00 H new ATOM 0 HA TYR A 8 2.313 26.452 2.539 1.00 0.00 H new ATOM 0 HB2 TYR A 8 3.634 26.592 0.694 1.00 0.00 H new ATOM 0 HB3 TYR A 8 5.085 26.897 1.629 1.00 0.00 H new ATOM 0 HD1 TYR A 8 3.406 24.581 -0.474 1.00 0.00 H new ATOM 0 HD2 TYR A 8 6.190 24.759 2.799 1.00 0.00 H new ATOM 0 HE1 TYR A 8 4.285 22.331 -1.089 1.00 0.00 H new ATOM 0 HE2 TYR A 8 7.041 22.500 2.188 1.00 0.00 H new ATOM 0 HH TYR A 8 5.719 20.729 -0.629 1.00 0.00 H new ATOM 129 N SER A 9 4.367 25.371 4.791 1.00 0.00 N ATOM 130 CA SER A 9 4.679 24.269 5.700 1.00 0.00 C ATOM 131 C SER A 9 3.500 23.689 6.468 1.00 0.00 C ATOM 132 O SER A 9 3.436 22.493 6.645 1.00 0.00 O ATOM 133 CB SER A 9 5.757 24.687 6.703 1.00 0.00 C ATOM 134 OG SER A 9 5.272 25.680 7.592 1.00 0.00 O ATOM 0 H SER A 9 4.851 26.245 4.999 1.00 0.00 H new ATOM 0 HA SER A 9 5.028 23.476 5.039 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.087 23.817 7.270 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.627 25.067 6.168 1.00 0.00 H new ATOM 0 HG SER A 9 5.980 25.928 8.223 1.00 0.00 H new ATOM 140 N LYS A 10 2.569 24.509 6.939 1.00 0.00 N ATOM 141 CA LYS A 10 1.475 23.984 7.776 1.00 0.00 C ATOM 142 C LYS A 10 0.619 22.922 7.067 1.00 0.00 C ATOM 143 O LYS A 10 0.316 21.867 7.631 1.00 0.00 O ATOM 144 CB LYS A 10 0.620 25.134 8.379 1.00 0.00 C ATOM 145 CG LYS A 10 -0.525 25.741 7.511 1.00 0.00 C ATOM 146 CD LYS A 10 -0.034 26.466 6.252 1.00 0.00 C ATOM 147 CE LYS A 10 -1.197 27.018 5.416 1.00 0.00 C ATOM 148 NZ LYS A 10 -0.828 27.118 3.949 1.00 0.00 N ATOM 0 H LYS A 10 2.539 25.514 6.768 1.00 0.00 H new ATOM 0 HA LYS A 10 1.947 23.459 8.607 1.00 0.00 H new ATOM 0 HB2 LYS A 10 0.176 24.767 9.305 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.297 25.944 8.649 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.206 24.943 7.216 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.098 26.440 8.120 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.626 27.284 6.539 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.555 25.779 5.645 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.067 26.372 5.530 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.480 28.002 5.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.548 27.676 3.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.098 27.582 3.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.781 26.164 3.537 1.00 0.00 H new ATOM 162 N GLU A 11 0.242 23.190 5.829 1.00 0.00 N ATOM 163 CA GLU A 11 -0.611 22.274 5.097 1.00 0.00 C ATOM 164 C GLU A 11 0.247 21.186 4.500 1.00 0.00 C ATOM 165 O GLU A 11 -0.206 20.062 4.395 1.00 0.00 O ATOM 166 CB GLU A 11 -1.409 23.007 4.024 1.00 0.00 C ATOM 167 CG GLU A 11 -2.627 23.735 4.562 1.00 0.00 C ATOM 168 CD GLU A 11 -3.699 22.789 5.064 1.00 0.00 C ATOM 169 OE1 GLU A 11 -4.284 22.055 4.248 1.00 0.00 O ATOM 170 OE2 GLU A 11 -3.973 22.782 6.286 1.00 0.00 O ATOM 0 H GLU A 11 0.511 24.028 5.314 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.336 21.826 5.777 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.758 23.725 3.526 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.729 22.290 3.268 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.322 24.395 5.374 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.044 24.366 3.777 1.00 0.00 H new ATOM 177 N HIS A 12 1.493 21.485 4.141 1.00 0.00 N ATOM 178 CA HIS A 12 2.365 20.418 3.658 1.00 0.00 C ATOM 179 C HIS A 12 2.587 19.397 4.771 1.00 0.00 C ATOM 180 O HIS A 12 2.523 18.203 4.533 1.00 0.00 O ATOM 181 CB HIS A 12 3.709 20.945 3.179 1.00 0.00 C ATOM 182 CG HIS A 12 4.668 19.855 2.818 1.00 0.00 C ATOM 183 ND1 HIS A 12 4.365 18.789 2.005 1.00 0.00 N ATOM 184 CD2 HIS A 12 5.956 19.647 3.206 1.00 0.00 C ATOM 185 CE1 HIS A 12 5.432 18.001 1.940 1.00 0.00 C ATOM 186 NE2 HIS A 12 6.436 18.480 2.647 1.00 0.00 N ATOM 0 H HIS A 12 1.909 22.416 4.172 1.00 0.00 H new ATOM 0 HA HIS A 12 1.871 19.951 2.806 1.00 0.00 H new ATOM 0 HB2 HIS A 12 3.553 21.587 2.312 1.00 0.00 H new ATOM 0 HB3 HIS A 12 4.149 21.565 3.960 1.00 0.00 H new ATOM 0 HD1 HIS A 12 3.475 18.631 1.533 1.00 0.00 H new ATOM 0 HD2 HIS A 12 6.520 20.300 3.856 1.00 0.00 H new ATOM 0 HE1 HIS A 12 5.472 17.080 1.377 1.00 0.00 H new ATOM 194 N MET A 13 2.824 19.858 5.991 1.00 0.00 N ATOM 195 CA MET A 13 3.008 18.947 7.115 1.00 0.00 C ATOM 196 C MET A 13 1.732 18.153 7.354 1.00 0.00 C ATOM 197 O MET A 13 1.792 16.966 7.640 1.00 0.00 O ATOM 198 CB MET A 13 3.404 19.694 8.389 1.00 0.00 C ATOM 199 CG MET A 13 4.847 20.196 8.372 1.00 0.00 C ATOM 200 SD MET A 13 5.273 21.120 9.869 1.00 0.00 S ATOM 201 CE MET A 13 5.463 19.791 11.084 1.00 0.00 C ATOM 0 H MET A 13 2.893 20.848 6.228 1.00 0.00 H new ATOM 0 HA MET A 13 3.821 18.266 6.862 1.00 0.00 H new ATOM 0 HB2 MET A 13 2.733 20.542 8.528 1.00 0.00 H new ATOM 0 HB3 MET A 13 3.266 19.035 9.246 1.00 0.00 H new ATOM 0 HG2 MET A 13 5.523 19.347 8.267 1.00 0.00 H new ATOM 0 HG3 MET A 13 4.997 20.833 7.500 1.00 0.00 H new ATOM 0 HE1 MET A 13 5.760 20.215 12.043 1.00 0.00 H new ATOM 0 HE2 MET A 13 4.516 19.264 11.198 1.00 0.00 H new ATOM 0 HE3 MET A 13 6.228 19.093 10.743 1.00 0.00 H new ATOM 211 N LYS A 14 0.571 18.785 7.222 1.00 0.00 N ATOM 212 CA LYS A 14 -0.689 18.047 7.383 1.00 0.00 C ATOM 213 C LYS A 14 -0.842 16.987 6.280 1.00 0.00 C ATOM 214 O LYS A 14 -1.232 15.842 6.544 1.00 0.00 O ATOM 215 CB LYS A 14 -1.872 19.015 7.352 1.00 0.00 C ATOM 216 CG LYS A 14 -3.188 18.381 7.801 1.00 0.00 C ATOM 217 CD LYS A 14 -4.344 19.369 7.700 1.00 0.00 C ATOM 218 CE LYS A 14 -4.822 19.526 6.259 1.00 0.00 C ATOM 219 NZ LYS A 14 -5.817 20.636 6.145 1.00 0.00 N ATOM 0 H LYS A 14 0.469 19.778 7.010 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.671 17.539 8.347 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.651 19.868 7.994 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.990 19.400 6.339 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -3.400 17.506 7.187 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.094 18.033 8.830 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.171 19.028 8.323 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.031 20.338 8.088 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.970 19.727 5.609 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.271 18.593 5.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.102 20.746 5.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.653 20.414 6.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.389 21.522 6.482 1.00 0.00 H new ATOM 233 N LYS A 15 -0.526 17.363 5.048 1.00 0.00 N ATOM 234 CA LYS A 15 -0.618 16.440 3.920 1.00 0.00 C ATOM 235 C LYS A 15 0.340 15.290 4.109 1.00 0.00 C ATOM 236 O LYS A 15 -0.062 14.145 4.023 1.00 0.00 O ATOM 237 CB LYS A 15 -0.304 17.149 2.596 1.00 0.00 C ATOM 238 CG LYS A 15 -1.541 17.460 1.752 1.00 0.00 C ATOM 239 CD LYS A 15 -2.160 16.194 1.148 1.00 0.00 C ATOM 240 CE LYS A 15 -1.414 15.741 -0.097 1.00 0.00 C ATOM 241 NZ LYS A 15 -1.836 14.359 -0.482 1.00 0.00 N ATOM 0 H LYS A 15 -0.204 18.299 4.802 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.640 16.064 3.881 1.00 0.00 H new ATOM 0 HB2 LYS A 15 0.222 18.080 2.809 1.00 0.00 H new ATOM 0 HB3 LYS A 15 0.374 16.526 2.013 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.283 17.967 2.370 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.269 18.148 0.951 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.150 15.395 1.889 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.204 16.383 0.898 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.611 16.430 -0.918 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.340 15.762 0.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.410 14.108 -1.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.520 13.685 0.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.872 14.322 -0.561 1.00 0.00 H new ATOM 255 N MET A 16 1.600 15.585 4.386 1.00 0.00 N ATOM 256 CA MET A 16 2.583 14.529 4.570 1.00 0.00 C ATOM 257 C MET A 16 2.239 13.694 5.799 1.00 0.00 C ATOM 258 O MET A 16 2.582 12.537 5.848 1.00 0.00 O ATOM 259 CB MET A 16 4.017 15.081 4.647 1.00 0.00 C ATOM 260 CG MET A 16 4.447 15.548 6.024 1.00 0.00 C ATOM 261 SD MET A 16 6.113 16.224 6.035 1.00 0.00 S ATOM 262 CE MET A 16 6.377 16.439 7.796 1.00 0.00 C ATOM 0 H MET A 16 1.963 16.533 4.487 1.00 0.00 H new ATOM 0 HA MET A 16 2.546 13.883 3.693 1.00 0.00 H new ATOM 0 HB2 MET A 16 4.707 14.308 4.309 1.00 0.00 H new ATOM 0 HB3 MET A 16 4.108 15.915 3.951 1.00 0.00 H new ATOM 0 HG2 MET A 16 3.749 16.305 6.381 1.00 0.00 H new ATOM 0 HG3 MET A 16 4.394 14.711 6.721 1.00 0.00 H new ATOM 0 HE1 MET A 16 7.308 16.981 7.961 1.00 0.00 H new ATOM 0 HE2 MET A 16 5.548 17.004 8.222 1.00 0.00 H new ATOM 0 HE3 MET A 16 6.436 15.463 8.277 1.00 0.00 H new ATOM 272 N MET A 17 1.542 14.254 6.781 1.00 0.00 N ATOM 273 CA MET A 17 1.116 13.450 7.926 1.00 0.00 C ATOM 274 C MET A 17 0.150 12.381 7.424 1.00 0.00 C ATOM 275 O MET A 17 0.279 11.219 7.793 1.00 0.00 O ATOM 276 CB MET A 17 0.455 14.309 9.008 1.00 0.00 C ATOM 277 CG MET A 17 0.119 13.541 10.278 1.00 0.00 C ATOM 278 SD MET A 17 -0.695 14.597 11.499 1.00 0.00 S ATOM 279 CE MET A 17 -2.377 14.678 10.836 1.00 0.00 C ATOM 0 H MET A 17 1.264 15.235 6.812 1.00 0.00 H new ATOM 0 HA MET A 17 1.990 12.987 8.384 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.119 15.136 9.259 1.00 0.00 H new ATOM 0 HB3 MET A 17 -0.459 14.745 8.605 1.00 0.00 H new ATOM 0 HG2 MET A 17 -0.529 12.699 10.034 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.032 13.127 10.706 1.00 0.00 H new ATOM 0 HE1 MET A 17 -3.016 15.223 11.531 1.00 0.00 H new ATOM 0 HE2 MET A 17 -2.365 15.192 9.875 1.00 0.00 H new ATOM 0 HE3 MET A 17 -2.764 13.668 10.702 1.00 0.00 H new ATOM 289 N LYS A 18 -0.799 12.760 6.568 1.00 0.00 N ATOM 290 CA LYS A 18 -1.723 11.768 5.990 1.00 0.00 C ATOM 291 C LYS A 18 -0.970 10.812 5.077 1.00 0.00 C ATOM 292 O LYS A 18 -1.107 9.600 5.150 1.00 0.00 O ATOM 293 CB LYS A 18 -2.787 12.415 5.089 1.00 0.00 C ATOM 294 CG LYS A 18 -3.758 13.381 5.739 1.00 0.00 C ATOM 295 CD LYS A 18 -4.981 13.597 4.811 1.00 0.00 C ATOM 296 CE LYS A 18 -4.604 14.189 3.427 1.00 0.00 C ATOM 297 NZ LYS A 18 -5.810 14.317 2.526 1.00 0.00 N ATOM 0 H LYS A 18 -0.952 13.721 6.261 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.184 11.268 6.842 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.273 12.944 4.286 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.366 11.617 4.625 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.085 12.990 6.702 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.264 14.333 5.933 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -5.490 12.644 4.665 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -5.689 14.264 5.303 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.146 15.169 3.563 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.859 13.552 2.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.547 14.838 1.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -6.151 13.370 2.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.563 14.832 3.025 1.00 0.00 H new ATOM 311 N ASP A 19 -0.197 11.392 4.182 1.00 0.00 N ATOM 312 CA ASP A 19 0.450 10.631 3.126 1.00 0.00 C ATOM 313 C ASP A 19 1.495 9.655 3.643 1.00 0.00 C ATOM 314 O ASP A 19 1.674 8.597 3.076 1.00 0.00 O ATOM 315 CB ASP A 19 1.097 11.587 2.115 1.00 0.00 C ATOM 316 CG ASP A 19 0.089 12.558 1.488 1.00 0.00 C ATOM 317 OD1 ASP A 19 -1.127 12.264 1.449 1.00 0.00 O ATOM 318 OD2 ASP A 19 0.517 13.637 1.036 1.00 0.00 O ATOM 0 H ASP A 19 0.001 12.392 4.163 1.00 0.00 H new ATOM 0 HA ASP A 19 -0.330 10.038 2.647 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.883 12.156 2.611 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.574 11.006 1.326 1.00 0.00 H new ATOM 323 N LEU A 20 2.203 9.995 4.709 1.00 0.00 N ATOM 324 CA LEU A 20 3.290 9.132 5.182 1.00 0.00 C ATOM 325 C LEU A 20 2.825 8.083 6.170 1.00 0.00 C ATOM 326 O LEU A 20 3.425 7.011 6.235 1.00 0.00 O ATOM 327 CB LEU A 20 4.452 9.944 5.758 1.00 0.00 C ATOM 328 CG LEU A 20 5.425 10.548 4.716 1.00 0.00 C ATOM 329 CD1 LEU A 20 4.747 11.116 3.446 1.00 0.00 C ATOM 330 CD2 LEU A 20 6.240 11.649 5.394 1.00 0.00 C ATOM 0 H LEU A 20 2.055 10.842 5.257 1.00 0.00 H new ATOM 0 HA LEU A 20 3.650 8.600 4.301 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.042 10.755 6.360 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.021 9.303 6.432 1.00 0.00 H new ATOM 0 HG LEU A 20 6.052 9.728 4.368 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.508 11.517 2.776 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.199 10.321 2.940 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.056 11.911 3.727 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.931 12.086 4.674 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.568 12.422 5.767 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.803 11.225 6.226 1.00 0.00 H new ATOM 342 N GLU A 21 1.757 8.336 6.917 1.00 0.00 N ATOM 343 CA GLU A 21 1.221 7.265 7.755 1.00 0.00 C ATOM 344 C GLU A 21 0.620 6.271 6.761 1.00 0.00 C ATOM 345 O GLU A 21 0.705 5.064 6.947 1.00 0.00 O ATOM 346 CB GLU A 21 0.225 7.759 8.830 1.00 0.00 C ATOM 347 CG GLU A 21 -1.125 8.314 8.341 1.00 0.00 C ATOM 348 CD GLU A 21 -2.139 7.231 7.977 1.00 0.00 C ATOM 349 OE1 GLU A 21 -2.143 6.159 8.611 1.00 0.00 O ATOM 350 OE2 GLU A 21 -2.948 7.457 7.051 1.00 0.00 O ATOM 0 H GLU A 21 1.263 9.227 6.963 1.00 0.00 H new ATOM 0 HA GLU A 21 1.996 6.801 8.365 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.023 6.930 9.509 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.717 8.536 9.414 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.549 8.950 9.118 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.954 8.946 7.470 1.00 0.00 H new ATOM 357 N GLY A 22 0.062 6.795 5.675 1.00 0.00 N ATOM 358 CA GLY A 22 -0.455 5.953 4.614 1.00 0.00 C ATOM 359 C GLY A 22 0.653 5.201 3.906 1.00 0.00 C ATOM 360 O GLY A 22 0.476 4.065 3.527 1.00 0.00 O ATOM 0 H GLY A 22 -0.042 7.796 5.511 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.170 5.242 5.029 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.997 6.566 3.894 1.00 0.00 H new ATOM 364 N LEU A 23 1.806 5.831 3.738 1.00 0.00 N ATOM 365 CA LEU A 23 2.957 5.196 3.088 1.00 0.00 C ATOM 366 C LEU A 23 3.397 3.991 3.922 1.00 0.00 C ATOM 367 O LEU A 23 3.629 2.885 3.405 1.00 0.00 O ATOM 368 CB LEU A 23 4.084 6.233 2.968 1.00 0.00 C ATOM 369 CG LEU A 23 5.237 6.028 1.983 1.00 0.00 C ATOM 370 CD1 LEU A 23 6.091 7.301 2.013 1.00 0.00 C ATOM 371 CD2 LEU A 23 6.101 4.814 2.345 1.00 0.00 C ATOM 0 H LEU A 23 1.976 6.789 4.043 1.00 0.00 H new ATOM 0 HA LEU A 23 2.698 4.844 2.089 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.617 7.186 2.720 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.525 6.342 3.959 1.00 0.00 H new ATOM 0 HG LEU A 23 4.832 5.837 0.989 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.927 7.195 1.322 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.482 8.155 1.717 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.472 7.460 3.022 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.906 4.710 1.617 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.527 4.954 3.339 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.486 3.914 2.337 1.00 0.00 H new ATOM 383 N HIS A 24 3.497 4.197 5.224 1.00 0.00 N ATOM 384 CA HIS A 24 3.881 3.114 6.107 1.00 0.00 C ATOM 385 C HIS A 24 2.785 2.053 6.104 1.00 0.00 C ATOM 386 O HIS A 24 3.073 0.866 6.153 1.00 0.00 O ATOM 387 CB HIS A 24 4.155 3.625 7.518 1.00 0.00 C ATOM 388 CG HIS A 24 4.904 2.646 8.366 1.00 0.00 C ATOM 389 ND1 HIS A 24 5.932 1.852 7.912 1.00 0.00 N ATOM 390 CD2 HIS A 24 4.766 2.324 9.681 1.00 0.00 C ATOM 391 CE1 HIS A 24 6.352 1.100 8.922 1.00 0.00 C ATOM 392 NE2 HIS A 24 5.676 1.346 10.028 1.00 0.00 N ATOM 0 H HIS A 24 3.321 5.089 5.686 1.00 0.00 H new ATOM 0 HA HIS A 24 4.808 2.668 5.745 1.00 0.00 H new ATOM 0 HB2 HIS A 24 4.724 4.553 7.457 1.00 0.00 H new ATOM 0 HB3 HIS A 24 3.207 3.864 8.001 1.00 0.00 H new ATOM 0 HD1 HIS A 24 6.307 1.843 6.963 1.00 0.00 H new ATOM 0 HD2 HIS A 24 4.049 2.769 10.355 1.00 0.00 H new ATOM 0 HE1 HIS A 24 7.149 0.375 8.848 1.00 0.00 H new ATOM 400 N ARG A 25 1.526 2.465 6.011 1.00 0.00 N ATOM 401 CA ARG A 25 0.432 1.499 5.883 1.00 0.00 C ATOM 402 C ARG A 25 0.499 0.758 4.553 1.00 0.00 C ATOM 403 O ARG A 25 0.041 -0.356 4.477 1.00 0.00 O ATOM 404 CB ARG A 25 -0.938 2.154 6.020 1.00 0.00 C ATOM 405 CG ARG A 25 -1.350 2.427 7.460 1.00 0.00 C ATOM 406 CD ARG A 25 -2.828 2.811 7.551 1.00 0.00 C ATOM 407 NE ARG A 25 -3.116 4.103 6.904 1.00 0.00 N ATOM 408 CZ ARG A 25 -3.645 4.271 5.696 1.00 0.00 C ATOM 409 NH1 ARG A 25 -3.967 3.267 4.915 1.00 0.00 N ATOM 410 NH2 ARG A 25 -3.851 5.480 5.264 1.00 0.00 N ATOM 0 H ARG A 25 1.236 3.443 6.021 1.00 0.00 H new ATOM 0 HA ARG A 25 0.559 0.790 6.701 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.937 3.094 5.468 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.685 1.512 5.554 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.164 1.542 8.068 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.737 3.230 7.870 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.432 2.032 7.085 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.124 2.859 8.599 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.889 4.946 7.431 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.814 2.308 5.228 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.371 3.445 3.995 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.608 6.279 5.849 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.256 5.629 4.340 1.00 0.00 H new ATOM 424 N ALA A 26 1.075 1.348 3.517 1.00 0.00 N ATOM 425 CA ALA A 26 1.243 0.651 2.243 1.00 0.00 C ATOM 426 C ALA A 26 2.327 -0.423 2.410 1.00 0.00 C ATOM 427 O ALA A 26 2.236 -1.500 1.835 1.00 0.00 O ATOM 428 CB ALA A 26 1.608 1.635 1.120 1.00 0.00 C ATOM 0 H ALA A 26 1.434 2.303 3.529 1.00 0.00 H new ATOM 0 HA ALA A 26 0.303 0.178 1.960 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.727 1.090 0.183 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.814 2.374 1.012 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.542 2.140 1.368 1.00 0.00 H new ATOM 434 N GLU A 27 3.343 -0.148 3.215 1.00 0.00 N ATOM 435 CA GLU A 27 4.369 -1.172 3.505 1.00 0.00 C ATOM 436 C GLU A 27 3.723 -2.306 4.351 1.00 0.00 C ATOM 437 O GLU A 27 3.924 -3.544 4.141 1.00 0.00 O ATOM 438 CB GLU A 27 5.547 -0.521 4.235 1.00 0.00 C ATOM 439 CG GLU A 27 6.260 0.527 3.364 1.00 0.00 C ATOM 440 CD GLU A 27 7.274 1.372 4.126 1.00 0.00 C ATOM 441 OE1 GLU A 27 8.222 1.874 3.473 1.00 0.00 O ATOM 442 OE2 GLU A 27 7.129 1.549 5.361 1.00 0.00 O ATOM 0 H GLU A 27 3.489 0.750 3.676 1.00 0.00 H new ATOM 0 HA GLU A 27 4.750 -1.608 2.581 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.189 -0.049 5.150 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.259 -1.291 4.531 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.767 0.020 2.543 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.513 1.185 2.919 1.00 0.00 H new ATOM 449 N GLN A 28 2.905 -1.876 5.295 1.00 0.00 N ATOM 450 CA GLN A 28 2.143 -2.808 6.098 1.00 0.00 C ATOM 451 C GLN A 28 1.203 -3.573 5.181 1.00 0.00 C ATOM 452 O GLN A 28 0.960 -4.715 5.431 1.00 0.00 O ATOM 453 CB GLN A 28 1.344 -2.092 7.187 1.00 0.00 C ATOM 454 CG GLN A 28 2.203 -1.496 8.295 1.00 0.00 C ATOM 455 CD GLN A 28 1.433 -0.509 9.143 1.00 0.00 C ATOM 456 OE1 GLN A 28 1.977 0.665 9.308 1.00 0.00 O flip ATOM 457 NE2 GLN A 28 0.357 -0.799 9.633 1.00 0.00 N flip ATOM 0 H GLN A 28 2.754 -0.893 5.522 1.00 0.00 H new ATOM 0 HA GLN A 28 2.831 -3.490 6.597 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.757 -1.296 6.729 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.638 -2.796 7.628 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.584 -2.297 8.928 1.00 0.00 H new ATOM 0 HG3 GLN A 28 3.067 -0.998 7.855 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -0.038 -1.727 9.483 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -0.149 -0.114 10.194 1.00 0.00 H new ATOM 466 N SER A 29 0.691 -2.959 4.121 1.00 0.00 N ATOM 467 CA SER A 29 -0.213 -3.654 3.205 1.00 0.00 C ATOM 468 C SER A 29 0.505 -4.737 2.416 1.00 0.00 C ATOM 469 O SER A 29 -0.019 -5.814 2.304 1.00 0.00 O ATOM 470 CB SER A 29 -0.944 -2.695 2.251 1.00 0.00 C ATOM 471 OG SER A 29 -0.136 -2.313 1.153 1.00 0.00 O ATOM 0 H SER A 29 0.883 -1.988 3.873 1.00 0.00 H new ATOM 0 HA SER A 29 -0.967 -4.128 3.834 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.852 -3.173 1.883 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.253 -1.805 2.799 1.00 0.00 H new ATOM 0 HG SER A 29 0.745 -2.032 1.477 1.00 0.00 H new ATOM 477 N LEU A 30 1.704 -4.491 1.891 1.00 0.00 N ATOM 478 CA LEU A 30 2.436 -5.569 1.198 1.00 0.00 C ATOM 479 C LEU A 30 2.660 -6.680 2.221 1.00 0.00 C ATOM 480 O LEU A 30 2.406 -7.866 1.943 1.00 0.00 O ATOM 481 CB LEU A 30 3.759 -5.112 0.548 1.00 0.00 C ATOM 482 CG LEU A 30 4.629 -3.975 1.100 1.00 0.00 C ATOM 483 CD1 LEU A 30 5.891 -4.555 1.743 1.00 0.00 C ATOM 484 CD2 LEU A 30 5.028 -2.949 0.029 1.00 0.00 C ATOM 0 H LEU A 30 2.183 -3.591 1.925 1.00 0.00 H new ATOM 0 HA LEU A 30 1.840 -5.920 0.355 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.399 -5.993 0.504 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.518 -4.841 -0.480 1.00 0.00 H new ATOM 0 HG LEU A 30 4.027 -3.449 1.841 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.506 -3.744 2.134 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.610 -5.223 2.558 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.457 -5.112 0.996 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.642 -2.171 0.482 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.595 -3.446 -0.758 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.131 -2.501 -0.398 1.00 0.00 H new ATOM 496 N HIS A 31 3.107 -6.345 3.425 1.00 0.00 N ATOM 497 CA HIS A 31 3.316 -7.449 4.369 1.00 0.00 C ATOM 498 C HIS A 31 2.035 -8.066 4.938 1.00 0.00 C ATOM 499 O HIS A 31 2.049 -9.232 5.310 1.00 0.00 O ATOM 500 CB HIS A 31 4.333 -7.084 5.426 1.00 0.00 C ATOM 501 CG HIS A 31 5.728 -7.020 4.880 1.00 0.00 C ATOM 502 ND1 HIS A 31 6.145 -7.730 3.739 1.00 0.00 N ATOM 503 CD2 HIS A 31 6.831 -6.337 5.282 1.00 0.00 C ATOM 504 CE1 HIS A 31 7.425 -7.468 3.521 1.00 0.00 C ATOM 505 NE2 HIS A 31 7.856 -6.635 4.435 1.00 0.00 N ATOM 0 H HIS A 31 3.318 -5.404 3.758 1.00 0.00 H new ATOM 0 HA HIS A 31 3.738 -8.263 3.780 1.00 0.00 H new ATOM 0 HB2 HIS A 31 4.071 -6.119 5.860 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.295 -7.817 6.232 1.00 0.00 H new ATOM 0 HD1 HIS A 31 5.559 -8.344 3.174 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.886 -5.670 6.130 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.019 -7.877 2.717 1.00 0.00 H new ATOM 513 N ASP A 32 0.937 -7.330 4.968 1.00 0.00 N ATOM 514 CA ASP A 32 -0.358 -7.896 5.350 1.00 0.00 C ATOM 515 C ASP A 32 -0.765 -8.824 4.236 1.00 0.00 C ATOM 516 O ASP A 32 -1.266 -9.883 4.489 1.00 0.00 O ATOM 517 CB ASP A 32 -1.447 -6.828 5.518 1.00 0.00 C ATOM 518 CG ASP A 32 -2.791 -7.427 5.936 1.00 0.00 C ATOM 519 OD1 ASP A 32 -2.825 -8.164 6.942 1.00 0.00 O ATOM 520 OD2 ASP A 32 -3.820 -7.153 5.265 1.00 0.00 O ATOM 0 H ASP A 32 0.910 -6.338 4.733 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.255 -8.399 6.311 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.128 -6.102 6.265 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.569 -6.287 4.580 1.00 0.00 H new ATOM 525 N LEU A 33 -0.527 -8.428 2.994 1.00 0.00 N ATOM 526 CA LEU A 33 -0.864 -9.267 1.851 1.00 0.00 C ATOM 527 C LEU A 33 -0.148 -10.589 2.051 1.00 0.00 C ATOM 528 O LEU A 33 -0.776 -11.642 1.973 1.00 0.00 O ATOM 529 CB LEU A 33 -0.479 -8.589 0.513 1.00 0.00 C ATOM 530 CG LEU A 33 -1.550 -7.726 -0.201 1.00 0.00 C ATOM 531 CD1 LEU A 33 -2.657 -7.165 0.728 1.00 0.00 C ATOM 532 CD2 LEU A 33 -0.860 -6.547 -0.915 1.00 0.00 C ATOM 0 H LEU A 33 -0.103 -7.533 2.751 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.941 -9.427 1.792 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.390 -7.957 0.697 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.165 -9.370 -0.179 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.049 -8.395 -0.902 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.360 -6.575 0.141 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.185 -7.991 1.204 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.205 -6.534 1.493 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.610 -5.937 -1.419 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.330 -5.938 -0.183 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.152 -6.931 -1.649 1.00 0.00 H new ATOM 544 N GLN A 34 1.145 -10.554 2.354 1.00 0.00 N ATOM 545 CA GLN A 34 1.846 -11.821 2.628 1.00 0.00 C ATOM 546 C GLN A 34 1.260 -12.599 3.827 1.00 0.00 C ATOM 547 O GLN A 34 0.870 -13.766 3.697 1.00 0.00 O ATOM 548 CB GLN A 34 3.337 -11.588 2.896 1.00 0.00 C ATOM 549 CG GLN A 34 4.183 -11.477 1.644 1.00 0.00 C ATOM 550 CD GLN A 34 4.276 -10.070 1.128 1.00 0.00 C ATOM 551 OE1 GLN A 34 5.006 -9.226 1.693 1.00 0.00 O ATOM 552 NE2 GLN A 34 3.566 -9.793 0.061 1.00 0.00 N ATOM 0 H GLN A 34 1.714 -9.710 2.417 1.00 0.00 H new ATOM 0 HA GLN A 34 1.707 -12.419 1.727 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.451 -10.675 3.480 1.00 0.00 H new ATOM 0 HB3 GLN A 34 3.717 -12.407 3.507 1.00 0.00 H new ATOM 0 HG2 GLN A 34 5.186 -11.849 1.854 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.762 -12.117 0.868 1.00 0.00 H new ATOM 0 HE21 GLN A 34 2.985 -10.514 -0.366 1.00 0.00 H new ATOM 0 HE22 GLN A 34 3.595 -8.856 -0.342 1.00 0.00 H new ATOM 561 N GLU A 35 1.217 -11.970 4.994 1.00 0.00 N ATOM 562 CA GLU A 35 0.796 -12.651 6.225 1.00 0.00 C ATOM 563 C GLU A 35 -0.647 -13.140 6.198 1.00 0.00 C ATOM 564 O GLU A 35 -0.950 -14.256 6.625 1.00 0.00 O ATOM 565 CB GLU A 35 0.949 -11.697 7.416 1.00 0.00 C ATOM 566 CG GLU A 35 2.391 -11.480 7.858 1.00 0.00 C ATOM 567 CD GLU A 35 3.020 -12.755 8.390 1.00 0.00 C ATOM 568 OE1 GLU A 35 2.415 -13.387 9.289 1.00 0.00 O ATOM 569 OE2 GLU A 35 4.104 -13.134 7.910 1.00 0.00 O ATOM 0 H GLU A 35 1.467 -10.989 5.121 1.00 0.00 H new ATOM 0 HA GLU A 35 1.438 -13.527 6.316 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.512 -10.733 7.155 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.377 -12.089 8.257 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.977 -11.111 7.016 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.422 -10.711 8.630 1.00 0.00 H new ATOM 576 N ARG A 36 -1.537 -12.301 5.710 1.00 0.00 N ATOM 577 CA ARG A 36 -2.960 -12.603 5.665 1.00 0.00 C ATOM 578 C ARG A 36 -3.241 -13.623 4.585 1.00 0.00 C ATOM 579 O ARG A 36 -4.104 -14.464 4.770 1.00 0.00 O ATOM 580 CB ARG A 36 -3.713 -11.301 5.419 1.00 0.00 C ATOM 581 CG ARG A 36 -5.207 -11.312 5.562 1.00 0.00 C ATOM 582 CD ARG A 36 -5.629 -9.862 5.411 1.00 0.00 C ATOM 583 NE ARG A 36 -7.052 -9.660 5.109 1.00 0.00 N ATOM 584 CZ ARG A 36 -7.588 -8.481 4.807 1.00 0.00 C ATOM 585 NH1 ARG A 36 -6.873 -7.379 4.763 1.00 0.00 N ATOM 586 NH2 ARG A 36 -8.862 -8.409 4.530 1.00 0.00 N ATOM 0 H ARG A 36 -1.297 -11.385 5.331 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.293 -13.035 6.609 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.318 -10.552 6.105 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.477 -10.965 4.409 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.671 -11.939 4.801 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.507 -11.711 6.531 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.389 -9.331 6.332 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.036 -9.407 4.618 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.667 -10.474 5.132 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.874 -7.411 4.964 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.318 -6.492 4.528 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.436 -9.252 4.547 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.283 -7.510 4.297 1.00 0.00 H new ATOM 600 N LEU A 37 -2.516 -13.593 3.472 1.00 0.00 N ATOM 601 CA LEU A 37 -2.711 -14.637 2.463 1.00 0.00 C ATOM 602 C LEU A 37 -2.142 -15.943 3.005 1.00 0.00 C ATOM 603 O LEU A 37 -2.731 -17.017 2.811 1.00 0.00 O ATOM 604 CB LEU A 37 -2.056 -14.272 1.134 1.00 0.00 C ATOM 605 CG LEU A 37 -2.311 -15.246 -0.026 1.00 0.00 C ATOM 606 CD1 LEU A 37 -3.800 -15.450 -0.316 1.00 0.00 C ATOM 607 CD2 LEU A 37 -1.634 -14.706 -1.257 1.00 0.00 C ATOM 0 H LEU A 37 -1.814 -12.889 3.247 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.777 -14.745 2.265 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.406 -13.283 0.837 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.980 -14.196 1.290 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.908 -16.218 0.259 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.917 -16.148 -1.145 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.291 -15.853 0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.254 -14.495 -0.579 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.804 -15.385 -2.093 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.044 -13.725 -1.497 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.563 -14.617 -1.074 1.00 0.00 H new ATOM 619 N HIS A 38 -1.020 -15.863 3.717 1.00 0.00 N ATOM 620 CA HIS A 38 -0.469 -17.059 4.351 1.00 0.00 C ATOM 621 C HIS A 38 -1.523 -17.656 5.271 1.00 0.00 C ATOM 622 O HIS A 38 -1.702 -18.855 5.283 1.00 0.00 O ATOM 623 CB HIS A 38 0.806 -16.767 5.149 1.00 0.00 C ATOM 624 CG HIS A 38 1.457 -17.998 5.707 1.00 0.00 C ATOM 625 ND1 HIS A 38 1.013 -18.693 6.812 1.00 0.00 N ATOM 626 CD2 HIS A 38 2.553 -18.683 5.282 1.00 0.00 C ATOM 627 CE1 HIS A 38 1.822 -19.726 7.006 1.00 0.00 C ATOM 628 NE2 HIS A 38 2.777 -19.776 6.098 1.00 0.00 N ATOM 0 H HIS A 38 -0.486 -15.007 3.867 1.00 0.00 H new ATOM 0 HA HIS A 38 -0.198 -17.761 3.563 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.517 -16.249 4.506 1.00 0.00 H new ATOM 0 HB3 HIS A 38 0.565 -16.090 5.968 1.00 0.00 H new ATOM 0 HD2 HIS A 38 3.160 -18.412 4.431 1.00 0.00 H new ATOM 0 HE1 HIS A 38 1.712 -20.439 7.810 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.520 -20.470 6.016 1.00 0.00 H new ATOM 636 N LYS A 39 -2.230 -16.827 6.030 1.00 0.00 N ATOM 637 CA LYS A 39 -3.289 -17.331 6.921 1.00 0.00 C ATOM 638 C LYS A 39 -4.515 -17.816 6.150 1.00 0.00 C ATOM 639 O LYS A 39 -5.136 -18.794 6.543 1.00 0.00 O ATOM 640 CB LYS A 39 -3.672 -16.272 7.950 1.00 0.00 C ATOM 641 CG LYS A 39 -2.594 -16.133 9.015 1.00 0.00 C ATOM 642 CD LYS A 39 -2.448 -14.699 9.517 1.00 0.00 C ATOM 643 CE LYS A 39 -1.130 -14.518 10.280 1.00 0.00 C ATOM 644 NZ LYS A 39 0.054 -14.849 9.407 1.00 0.00 N ATOM 0 H LYS A 39 -2.099 -15.816 6.053 1.00 0.00 H new ATOM 0 HA LYS A 39 -2.886 -18.197 7.445 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.823 -15.314 7.453 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.619 -16.540 8.418 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.832 -16.786 9.855 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.641 -16.471 8.608 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.483 -14.009 8.674 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.287 -14.450 10.167 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.049 -13.490 10.633 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.126 -15.159 11.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.830 -14.187 9.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.368 -15.821 9.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.219 -14.768 8.407 1.00 0.00 H new ATOM 658 N ALA A 40 -4.847 -17.163 5.045 1.00 0.00 N ATOM 659 CA ALA A 40 -5.951 -17.611 4.195 1.00 0.00 C ATOM 660 C ALA A 40 -5.600 -19.003 3.670 1.00 0.00 C ATOM 661 O ALA A 40 -6.452 -19.873 3.555 1.00 0.00 O ATOM 662 CB ALA A 40 -6.183 -16.629 3.038 1.00 0.00 C ATOM 0 H ALA A 40 -4.372 -16.323 4.713 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.877 -17.650 4.769 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.008 -16.983 2.420 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.426 -15.645 3.439 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.279 -16.561 2.432 1.00 0.00 H new ATOM 668 N GLN A 41 -4.336 -19.243 3.376 1.00 0.00 N ATOM 669 CA GLN A 41 -3.944 -20.602 3.051 1.00 0.00 C ATOM 670 C GLN A 41 -4.085 -21.441 4.338 1.00 0.00 C ATOM 671 O GLN A 41 -4.830 -22.407 4.389 1.00 0.00 O ATOM 672 CB GLN A 41 -2.505 -20.642 2.531 1.00 0.00 C ATOM 673 CG GLN A 41 -1.983 -22.054 2.261 1.00 0.00 C ATOM 674 CD GLN A 41 -0.505 -22.081 1.911 1.00 0.00 C ATOM 675 OE1 GLN A 41 0.292 -21.337 2.639 1.00 0.00 O flip ATOM 676 NE2 GLN A 41 -0.092 -22.777 1.003 1.00 0.00 N flip ATOM 0 H GLN A 41 -3.590 -18.548 3.355 1.00 0.00 H new ATOM 0 HA GLN A 41 -4.579 -21.004 2.262 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -2.445 -20.061 1.611 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.853 -20.157 3.257 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.154 -22.674 3.141 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -2.553 -22.497 1.444 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.742 -23.343 0.458 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.905 -22.795 0.787 1.00 0.00 H new ATOM 685 N GLU A 42 -3.370 -21.053 5.379 1.00 0.00 N ATOM 686 CA GLU A 42 -3.247 -21.843 6.603 1.00 0.00 C ATOM 687 C GLU A 42 -4.578 -22.411 7.099 1.00 0.00 C ATOM 688 O GLU A 42 -4.666 -23.618 7.350 1.00 0.00 O ATOM 689 CB GLU A 42 -2.582 -20.961 7.664 1.00 0.00 C ATOM 690 CG GLU A 42 -1.990 -21.677 8.853 1.00 0.00 C ATOM 691 CD GLU A 42 -1.174 -20.720 9.736 1.00 0.00 C ATOM 692 OE1 GLU A 42 -0.836 -19.597 9.271 1.00 0.00 O ATOM 693 OE2 GLU A 42 -0.864 -21.095 10.885 1.00 0.00 O ATOM 0 H GLU A 42 -2.852 -20.175 5.404 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.635 -22.720 6.391 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.792 -20.385 7.183 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.321 -20.247 8.028 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.788 -22.127 9.443 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.351 -22.490 8.509 1.00 0.00 H new ATOM 700 N GLU A 43 -5.603 -21.579 7.212 1.00 0.00 N ATOM 701 CA GLU A 43 -6.923 -22.060 7.615 1.00 0.00 C ATOM 702 C GLU A 43 -7.913 -22.330 6.449 1.00 0.00 C ATOM 703 O GLU A 43 -8.654 -23.316 6.494 1.00 0.00 O ATOM 704 CB GLU A 43 -7.520 -21.100 8.663 1.00 0.00 C ATOM 705 CG GLU A 43 -8.058 -19.795 8.105 1.00 0.00 C ATOM 706 CD GLU A 43 -8.193 -18.693 9.148 1.00 0.00 C ATOM 707 OE1 GLU A 43 -8.165 -17.505 8.749 1.00 0.00 O ATOM 708 OE2 GLU A 43 -8.335 -19.001 10.353 1.00 0.00 O ATOM 0 H GLU A 43 -5.551 -20.576 7.033 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.769 -23.046 8.054 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.326 -21.614 9.187 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -6.753 -20.872 9.404 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.398 -19.451 7.309 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.033 -19.978 7.654 1.00 0.00 H new ATOM 715 N HIS A 44 -7.955 -21.468 5.430 1.00 0.00 N ATOM 716 CA HIS A 44 -9.000 -21.574 4.370 1.00 0.00 C ATOM 717 C HIS A 44 -8.513 -22.293 3.123 1.00 0.00 C ATOM 718 O HIS A 44 -9.274 -22.561 2.197 1.00 0.00 O ATOM 719 CB HIS A 44 -9.574 -20.197 3.973 1.00 0.00 C ATOM 720 CG HIS A 44 -10.376 -19.540 5.053 1.00 0.00 C ATOM 721 ND1 HIS A 44 -9.971 -18.437 5.764 1.00 0.00 N ATOM 722 CD2 HIS A 44 -11.615 -19.834 5.537 1.00 0.00 C ATOM 723 CE1 HIS A 44 -10.932 -18.122 6.628 1.00 0.00 C ATOM 724 NE2 HIS A 44 -11.960 -18.942 6.534 1.00 0.00 N ATOM 0 H HIS A 44 -7.298 -20.698 5.304 1.00 0.00 H new ATOM 0 HA HIS A 44 -9.793 -22.172 4.819 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -8.752 -19.539 3.693 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -10.201 -20.317 3.090 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -12.237 -20.646 5.192 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -10.877 -17.296 7.321 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -12.822 -18.922 7.079 1.00 0.00 H new ATOM 732 N ARG A 45 -7.225 -22.589 3.125 1.00 0.00 N ATOM 733 CA ARG A 45 -6.504 -23.336 2.075 1.00 0.00 C ATOM 734 C ARG A 45 -6.290 -22.620 0.763 1.00 0.00 C ATOM 735 O ARG A 45 -5.240 -22.825 0.162 1.00 0.00 O ATOM 736 CB ARG A 45 -7.095 -24.736 1.843 1.00 0.00 C ATOM 737 CG ARG A 45 -7.269 -25.591 3.118 1.00 0.00 C ATOM 738 CD ARG A 45 -6.027 -25.612 4.023 1.00 0.00 C ATOM 739 NE ARG A 45 -4.785 -25.857 3.268 1.00 0.00 N ATOM 740 CZ ARG A 45 -3.561 -25.577 3.701 1.00 0.00 C ATOM 741 NH1 ARG A 45 -3.331 -25.062 4.885 1.00 0.00 N ATOM 742 NH2 ARG A 45 -2.545 -25.814 2.917 1.00 0.00 N ATOM 0 H ARG A 45 -6.612 -22.307 3.890 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.504 -23.431 2.497 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.066 -24.628 1.361 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -6.452 -25.275 1.147 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -8.116 -25.209 3.688 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -7.514 -26.613 2.829 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -5.948 -24.660 4.548 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -6.147 -26.386 4.781 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.872 -26.274 2.341 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -4.109 -24.861 5.514 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -2.374 -24.863 5.177 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -2.698 -26.208 1.989 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.598 -25.605 3.233 1.00 0.00 H new ATOM 756 N THR A 46 -7.250 -21.794 0.357 1.00 0.00 N ATOM 757 CA THR A 46 -7.209 -21.021 -0.894 1.00 0.00 C ATOM 758 C THR A 46 -7.357 -21.966 -2.096 1.00 0.00 C ATOM 759 O THR A 46 -6.637 -22.941 -2.225 1.00 0.00 O ATOM 760 CB THR A 46 -5.909 -20.164 -0.994 1.00 0.00 C ATOM 761 OG1 THR A 46 -5.780 -19.365 0.188 1.00 0.00 O ATOM 762 CG2 THR A 46 -5.940 -19.255 -2.176 1.00 0.00 C ATOM 0 H THR A 46 -8.101 -21.635 0.897 1.00 0.00 H new ATOM 0 HA THR A 46 -8.046 -20.323 -0.898 1.00 0.00 H new ATOM 0 HB THR A 46 -5.066 -20.846 -1.101 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.964 -18.826 0.131 1.00 0.00 H new ATOM 0 HG21 THR A 46 -5.018 -18.674 -2.213 1.00 0.00 H new ATOM 0 HG22 THR A 46 -6.033 -19.846 -3.087 1.00 0.00 H new ATOM 0 HG23 THR A 46 -6.791 -18.579 -2.093 1.00 0.00 H new ATOM 770 N VAL A 47 -8.311 -21.683 -2.971 1.00 0.00 N ATOM 771 CA VAL A 47 -8.598 -22.570 -4.108 1.00 0.00 C ATOM 772 C VAL A 47 -7.367 -22.859 -4.987 1.00 0.00 C ATOM 773 O VAL A 47 -7.199 -23.973 -5.484 1.00 0.00 O ATOM 774 CB VAL A 47 -9.795 -22.014 -4.950 1.00 0.00 C ATOM 775 CG1 VAL A 47 -9.452 -20.675 -5.634 1.00 0.00 C ATOM 776 CG2 VAL A 47 -10.268 -23.043 -5.984 1.00 0.00 C ATOM 0 H VAL A 47 -8.901 -20.852 -2.923 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.886 -23.534 -3.689 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.611 -21.824 -4.253 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -10.312 -20.328 -6.207 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.198 -19.934 -4.876 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.603 -20.815 -6.303 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -11.100 -22.630 -6.554 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.448 -23.282 -6.661 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -10.593 -23.949 -5.473 1.00 0.00 H new ATOM 786 N GLU A 48 -6.484 -21.888 -5.165 1.00 0.00 N ATOM 787 CA GLU A 48 -5.264 -22.110 -5.942 1.00 0.00 C ATOM 788 C GLU A 48 -4.118 -22.588 -5.033 1.00 0.00 C ATOM 789 O GLU A 48 -2.997 -22.106 -5.126 1.00 0.00 O ATOM 790 CB GLU A 48 -4.881 -20.849 -6.735 1.00 0.00 C ATOM 791 CG GLU A 48 -4.683 -19.587 -5.913 1.00 0.00 C ATOM 792 CD GLU A 48 -5.831 -18.620 -6.091 1.00 0.00 C ATOM 793 OE1 GLU A 48 -6.679 -18.521 -5.177 1.00 0.00 O ATOM 794 OE2 GLU A 48 -5.898 -17.962 -7.147 1.00 0.00 O ATOM 0 H GLU A 48 -6.583 -20.946 -4.788 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.455 -22.901 -6.667 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.960 -21.052 -7.282 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.657 -20.659 -7.477 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.588 -19.850 -4.859 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.751 -19.104 -6.206 1.00 0.00 H new ATOM 801 N VAL A 49 -4.418 -23.548 -4.164 1.00 0.00 N ATOM 802 CA VAL A 49 -3.458 -24.092 -3.184 1.00 0.00 C ATOM 803 C VAL A 49 -2.113 -24.535 -3.800 1.00 0.00 C ATOM 804 O VAL A 49 -1.073 -24.488 -3.149 1.00 0.00 O ATOM 805 CB VAL A 49 -4.127 -25.260 -2.362 1.00 0.00 C ATOM 806 CG1 VAL A 49 -4.317 -26.526 -3.218 1.00 0.00 C ATOM 807 CG2 VAL A 49 -3.326 -25.578 -1.091 1.00 0.00 C ATOM 0 H VAL A 49 -5.340 -23.980 -4.112 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.205 -23.273 -2.511 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.116 -24.913 -2.062 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.781 -27.307 -2.615 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.958 -26.297 -4.070 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.347 -26.872 -3.576 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.813 -26.387 -0.547 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -2.315 -25.881 -1.364 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.280 -24.691 -0.459 1.00 0.00 H new ATOM 817 N GLU A 50 -2.128 -24.936 -5.064 1.00 0.00 N ATOM 818 CA GLU A 50 -0.907 -25.335 -5.774 1.00 0.00 C ATOM 819 C GLU A 50 0.047 -24.159 -6.002 1.00 0.00 C ATOM 820 O GLU A 50 1.254 -24.336 -6.151 1.00 0.00 O ATOM 821 CB GLU A 50 -1.272 -25.839 -7.172 1.00 0.00 C ATOM 822 CG GLU A 50 -2.244 -27.000 -7.232 1.00 0.00 C ATOM 823 CD GLU A 50 -2.580 -27.343 -8.676 1.00 0.00 C ATOM 824 OE1 GLU A 50 -2.454 -28.509 -9.089 1.00 0.00 O ATOM 825 OE2 GLU A 50 -2.968 -26.408 -9.411 1.00 0.00 O ATOM 0 H GLU A 50 -2.976 -24.996 -5.628 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.429 -26.094 -5.155 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.696 -25.008 -7.736 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.354 -26.134 -7.680 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.811 -27.870 -6.737 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.156 -26.746 -6.691 1.00 0.00 H new ATOM 832 N LYS A 51 -0.522 -22.964 -6.076 1.00 0.00 N ATOM 833 CA LYS A 51 0.198 -21.754 -6.475 1.00 0.00 C ATOM 834 C LYS A 51 -0.400 -20.513 -5.805 1.00 0.00 C ATOM 835 O LYS A 51 -0.593 -19.494 -6.459 1.00 0.00 O ATOM 836 CB LYS A 51 0.111 -21.614 -8.009 1.00 0.00 C ATOM 837 CG LYS A 51 -1.335 -21.577 -8.548 1.00 0.00 C ATOM 838 CD LYS A 51 -1.594 -22.640 -9.596 1.00 0.00 C ATOM 839 CE LYS A 51 -3.098 -22.798 -9.812 1.00 0.00 C ATOM 840 NZ LYS A 51 -3.419 -24.007 -10.631 1.00 0.00 N ATOM 0 H LYS A 51 -1.505 -22.801 -5.860 1.00 0.00 H new ATOM 0 HA LYS A 51 1.238 -21.836 -6.160 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.625 -20.702 -8.311 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.641 -22.447 -8.472 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.031 -21.711 -7.720 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.534 -20.594 -8.976 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.110 -22.365 -10.533 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.161 -23.589 -9.279 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.598 -22.870 -8.846 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.489 -21.909 -10.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.300 -23.844 -11.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.643 -24.190 -11.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.538 -24.829 -10.005 1.00 0.00 H new ATOM 854 N VAL A 52 -0.676 -20.614 -4.508 1.00 0.00 N ATOM 855 CA VAL A 52 -1.331 -19.536 -3.734 1.00 0.00 C ATOM 856 C VAL A 52 -0.746 -18.158 -4.041 1.00 0.00 C ATOM 857 O VAL A 52 -1.478 -17.192 -4.244 1.00 0.00 O ATOM 858 CB VAL A 52 -1.197 -19.803 -2.195 1.00 0.00 C ATOM 859 CG1 VAL A 52 -1.891 -18.714 -1.380 1.00 0.00 C ATOM 860 CG2 VAL A 52 -1.790 -21.155 -1.832 1.00 0.00 C ATOM 0 H VAL A 52 -0.456 -21.441 -3.953 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.380 -19.539 -4.031 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.134 -19.796 -1.956 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.780 -18.928 -0.317 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.439 -17.748 -1.604 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.950 -18.687 -1.636 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.687 -21.321 -0.760 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.846 -21.174 -2.102 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.263 -21.941 -2.373 1.00 0.00 H new ATOM 870 N HIS A 53 0.573 -18.072 -4.105 1.00 0.00 N ATOM 871 CA HIS A 53 1.222 -16.829 -4.495 1.00 0.00 C ATOM 872 C HIS A 53 2.560 -17.093 -5.179 1.00 0.00 C ATOM 873 O HIS A 53 2.795 -16.649 -6.308 1.00 0.00 O ATOM 874 CB HIS A 53 1.392 -15.888 -3.283 1.00 0.00 C ATOM 875 CG HIS A 53 2.140 -16.494 -2.135 1.00 0.00 C ATOM 876 ND1 HIS A 53 3.458 -16.239 -1.852 1.00 0.00 N ATOM 877 CD2 HIS A 53 1.736 -17.366 -1.169 1.00 0.00 C ATOM 878 CE1 HIS A 53 3.800 -16.944 -0.780 1.00 0.00 C ATOM 879 NE2 HIS A 53 2.791 -17.658 -0.326 1.00 0.00 N ATOM 0 H HIS A 53 1.211 -18.840 -3.894 1.00 0.00 H new ATOM 0 HA HIS A 53 0.576 -16.330 -5.217 1.00 0.00 H new ATOM 0 HB2 HIS A 53 1.914 -14.987 -3.607 1.00 0.00 H new ATOM 0 HB3 HIS A 53 0.406 -15.578 -2.937 1.00 0.00 H new ATOM 0 HD2 HIS A 53 0.738 -17.769 -1.076 1.00 0.00 H new ATOM 0 HE1 HIS A 53 4.784 -16.933 -0.335 1.00 0.00 H new ATOM 0 HE2 HIS A 53 2.789 -18.290 0.475 1.00 0.00 H new ATOM 887 N LEU A 54 3.429 -17.823 -4.489 1.00 0.00 N ATOM 888 CA LEU A 54 4.789 -18.106 -4.951 1.00 0.00 C ATOM 889 C LEU A 54 5.533 -16.780 -5.177 1.00 0.00 C ATOM 890 O LEU A 54 5.021 -15.688 -4.877 1.00 0.00 O ATOM 891 CB LEU A 54 4.788 -18.974 -6.231 1.00 0.00 C ATOM 892 CG LEU A 54 3.958 -20.271 -6.190 1.00 0.00 C ATOM 893 CD1 LEU A 54 3.947 -20.902 -7.581 1.00 0.00 C ATOM 894 CD2 LEU A 54 4.510 -21.272 -5.174 1.00 0.00 C ATOM 0 H LEU A 54 3.210 -18.240 -3.584 1.00 0.00 H new ATOM 0 HA LEU A 54 5.307 -18.682 -4.184 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.422 -18.363 -7.056 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.820 -19.238 -6.463 1.00 0.00 H new ATOM 0 HG LEU A 54 2.945 -20.015 -5.880 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.361 -21.821 -7.559 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.504 -20.206 -8.293 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.969 -21.130 -7.885 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.895 -22.172 -5.178 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.535 -21.532 -5.439 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.495 -20.827 -4.179 1.00 0.00 H new ATOM 906 N GLU A 55 6.747 -16.876 -5.695 1.00 0.00 N ATOM 907 CA GLU A 55 7.573 -15.698 -5.937 1.00 0.00 C ATOM 908 C GLU A 55 6.845 -14.714 -6.844 1.00 0.00 C ATOM 909 O GLU A 55 6.868 -13.524 -6.597 1.00 0.00 O ATOM 910 CB GLU A 55 8.912 -16.129 -6.560 1.00 0.00 C ATOM 911 CG GLU A 55 9.861 -14.970 -6.947 1.00 0.00 C ATOM 912 CD GLU A 55 9.649 -14.446 -8.380 1.00 0.00 C ATOM 913 OE1 GLU A 55 9.023 -15.148 -9.206 1.00 0.00 O ATOM 914 OE2 GLU A 55 10.125 -13.324 -8.676 1.00 0.00 O ATOM 0 H GLU A 55 7.186 -17.759 -5.957 1.00 0.00 H new ATOM 0 HA GLU A 55 7.770 -15.196 -4.990 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.429 -16.781 -5.856 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.706 -16.722 -7.451 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.721 -14.148 -6.245 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.892 -15.307 -6.842 1.00 0.00 H new ATOM 921 N LYS A 56 6.191 -15.216 -7.881 1.00 0.00 N ATOM 922 CA LYS A 56 5.520 -14.353 -8.855 1.00 0.00 C ATOM 923 C LYS A 56 4.428 -13.468 -8.264 1.00 0.00 C ATOM 924 O LYS A 56 4.468 -12.248 -8.417 1.00 0.00 O ATOM 925 CB LYS A 56 4.914 -15.201 -9.973 1.00 0.00 C ATOM 926 CG LYS A 56 5.943 -15.984 -10.773 1.00 0.00 C ATOM 927 CD LYS A 56 5.273 -16.745 -11.904 1.00 0.00 C ATOM 928 CE LYS A 56 6.291 -17.568 -12.681 1.00 0.00 C ATOM 929 NZ LYS A 56 5.638 -18.299 -13.821 1.00 0.00 N ATOM 0 H LYS A 56 6.108 -16.214 -8.074 1.00 0.00 H new ATOM 0 HA LYS A 56 6.294 -13.686 -9.235 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.197 -15.898 -9.540 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.359 -14.551 -10.649 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.691 -15.303 -11.179 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.467 -16.681 -10.119 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.501 -17.400 -11.500 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.777 -16.044 -12.576 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.075 -16.915 -13.065 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.771 -18.283 -12.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.354 -18.852 -14.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.907 -18.939 -13.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.201 -17.613 -14.469 1.00 0.00 H new ATOM 943 N LYS A 57 3.445 -14.058 -7.600 1.00 0.00 N ATOM 944 CA LYS A 57 2.341 -13.257 -7.084 1.00 0.00 C ATOM 945 C LYS A 57 2.754 -12.538 -5.818 1.00 0.00 C ATOM 946 O LYS A 57 2.258 -11.463 -5.563 1.00 0.00 O ATOM 947 CB LYS A 57 1.084 -14.103 -6.868 1.00 0.00 C ATOM 948 CG LYS A 57 -0.205 -13.442 -7.358 1.00 0.00 C ATOM 949 CD LYS A 57 -0.941 -12.723 -6.241 1.00 0.00 C ATOM 950 CE LYS A 57 -1.728 -13.694 -5.363 1.00 0.00 C ATOM 951 NZ LYS A 57 -2.362 -12.956 -4.233 1.00 0.00 N ATOM 0 H LYS A 57 3.386 -15.058 -7.409 1.00 0.00 H new ATOM 0 HA LYS A 57 2.091 -12.505 -7.832 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.208 -15.057 -7.381 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.985 -14.323 -5.805 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.031 -12.732 -8.151 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.858 -14.199 -7.792 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.225 -12.176 -5.627 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.621 -11.987 -6.669 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.493 -14.196 -5.956 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.065 -14.468 -4.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.235 -13.443 -3.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.704 -12.922 -3.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.590 -11.987 -4.535 1.00 0.00 H new ATOM 965 N LEU A 58 3.685 -13.088 -5.040 1.00 0.00 N ATOM 966 CA LEU A 58 4.179 -12.341 -3.873 1.00 0.00 C ATOM 967 C LEU A 58 4.797 -11.036 -4.386 1.00 0.00 C ATOM 968 O LEU A 58 4.529 -9.939 -3.889 1.00 0.00 O ATOM 969 CB LEU A 58 5.219 -13.169 -3.114 1.00 0.00 C ATOM 970 CG LEU A 58 5.859 -12.541 -1.869 1.00 0.00 C ATOM 971 CD1 LEU A 58 5.985 -13.601 -0.775 1.00 0.00 C ATOM 972 CD2 LEU A 58 7.248 -11.983 -2.199 1.00 0.00 C ATOM 0 H LEU A 58 4.101 -14.008 -5.182 1.00 0.00 H new ATOM 0 HA LEU A 58 3.363 -12.126 -3.183 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.748 -14.105 -2.813 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.018 -13.423 -3.810 1.00 0.00 H new ATOM 0 HG LEU A 58 5.226 -11.723 -1.525 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.440 -13.157 0.111 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.996 -13.983 -0.523 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.610 -14.420 -1.132 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.685 -11.542 -1.303 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.889 -12.789 -2.556 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.159 -11.220 -2.973 1.00 0.00 H new ATOM 984 N ARG A 59 5.625 -11.170 -5.411 1.00 0.00 N ATOM 985 CA ARG A 59 6.280 -10.027 -6.031 1.00 0.00 C ATOM 986 C ARG A 59 5.255 -9.060 -6.590 1.00 0.00 C ATOM 987 O ARG A 59 5.452 -7.860 -6.493 1.00 0.00 O ATOM 988 CB ARG A 59 7.206 -10.538 -7.129 1.00 0.00 C ATOM 989 CG ARG A 59 8.039 -9.520 -7.850 1.00 0.00 C ATOM 990 CD ARG A 59 9.006 -10.305 -8.713 1.00 0.00 C ATOM 991 NE ARG A 59 9.864 -9.473 -9.565 1.00 0.00 N ATOM 992 CZ ARG A 59 10.862 -9.941 -10.307 1.00 0.00 C ATOM 993 NH1 ARG A 59 11.188 -11.212 -10.325 1.00 0.00 N ATOM 994 NH2 ARG A 59 11.546 -9.113 -11.046 1.00 0.00 N ATOM 0 H ARG A 59 5.861 -12.067 -5.834 1.00 0.00 H new ATOM 0 HA ARG A 59 6.863 -9.485 -5.286 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.878 -11.274 -6.689 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.599 -11.062 -7.867 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.415 -8.866 -8.459 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.574 -8.884 -7.145 1.00 0.00 H new ATOM 0 HD2 ARG A 59 9.637 -10.916 -8.068 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.439 -10.989 -9.345 1.00 0.00 H new ATOM 0 HE ARG A 59 9.682 -8.470 -9.589 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.668 -11.880 -9.756 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.961 -11.532 -10.908 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.312 -8.120 -11.049 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.315 -9.458 -11.621 1.00 0.00 H new ATOM 1008 N ASP A 60 4.167 -9.560 -7.159 1.00 0.00 N ATOM 1009 CA ASP A 60 3.135 -8.671 -7.703 1.00 0.00 C ATOM 1010 C ASP A 60 2.283 -7.989 -6.617 1.00 0.00 C ATOM 1011 O ASP A 60 1.880 -6.854 -6.779 1.00 0.00 O ATOM 1012 CB ASP A 60 2.232 -9.407 -8.692 1.00 0.00 C ATOM 1013 CG ASP A 60 1.607 -8.461 -9.719 1.00 0.00 C ATOM 1014 OD1 ASP A 60 0.549 -8.809 -10.278 1.00 0.00 O ATOM 1015 OD2 ASP A 60 2.189 -7.374 -9.978 1.00 0.00 O ATOM 0 H ASP A 60 3.972 -10.556 -7.258 1.00 0.00 H new ATOM 0 HA ASP A 60 3.674 -7.882 -8.228 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.811 -10.172 -9.210 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.441 -9.921 -8.146 1.00 0.00 H new ATOM 1020 N GLU A 61 2.036 -8.659 -5.499 1.00 0.00 N ATOM 1021 CA GLU A 61 1.323 -8.047 -4.363 1.00 0.00 C ATOM 1022 C GLU A 61 2.137 -6.849 -3.893 1.00 0.00 C ATOM 1023 O GLU A 61 1.652 -5.702 -3.756 1.00 0.00 O ATOM 1024 CB GLU A 61 1.248 -9.043 -3.201 1.00 0.00 C ATOM 1025 CG GLU A 61 0.215 -10.130 -3.355 1.00 0.00 C ATOM 1026 CD GLU A 61 0.587 -11.390 -2.577 1.00 0.00 C ATOM 1027 OE1 GLU A 61 1.458 -11.329 -1.665 1.00 0.00 O ATOM 1028 OE2 GLU A 61 0.005 -12.456 -2.891 1.00 0.00 O ATOM 0 H GLU A 61 2.315 -9.628 -5.345 1.00 0.00 H new ATOM 0 HA GLU A 61 0.318 -7.758 -4.670 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.226 -9.508 -3.078 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.039 -8.492 -2.284 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.751 -9.763 -3.009 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.103 -10.376 -4.411 1.00 0.00 H new ATOM 1035 N ILE A 62 3.408 -7.130 -3.654 1.00 0.00 N ATOM 1036 CA ILE A 62 4.338 -6.101 -3.236 1.00 0.00 C ATOM 1037 C ILE A 62 4.446 -5.031 -4.331 1.00 0.00 C ATOM 1038 O ILE A 62 4.603 -3.868 -4.019 1.00 0.00 O ATOM 1039 CB ILE A 62 5.722 -6.712 -2.856 1.00 0.00 C ATOM 1040 CG1 ILE A 62 5.529 -7.753 -1.733 1.00 0.00 C ATOM 1041 CG2 ILE A 62 6.672 -5.626 -2.329 1.00 0.00 C ATOM 1042 CD1 ILE A 62 6.784 -8.464 -1.274 1.00 0.00 C ATOM 0 H ILE A 62 3.816 -8.061 -3.743 1.00 0.00 H new ATOM 0 HA ILE A 62 3.962 -5.619 -2.333 1.00 0.00 H new ATOM 0 HB ILE A 62 6.147 -7.170 -3.749 1.00 0.00 H new ATOM 0 HG12 ILE A 62 5.081 -7.254 -0.873 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.814 -8.501 -2.075 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.631 -6.076 -2.070 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.822 -4.869 -3.099 1.00 0.00 H new ATOM 0 HG23 ILE A 62 6.238 -5.162 -1.443 1.00 0.00 H new ATOM 0 HD11 ILE A 62 6.533 -9.172 -0.484 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.227 -9.000 -2.114 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.498 -7.733 -0.893 1.00 0.00 H new ATOM 1054 N ASN A 63 4.341 -5.406 -5.601 1.00 0.00 N ATOM 1055 CA ASN A 63 4.371 -4.433 -6.706 1.00 0.00 C ATOM 1056 C ASN A 63 3.118 -3.541 -6.718 1.00 0.00 C ATOM 1057 O ASN A 63 3.187 -2.360 -7.043 1.00 0.00 O ATOM 1058 CB ASN A 63 4.476 -5.157 -8.049 1.00 0.00 C ATOM 1059 CG ASN A 63 4.665 -4.216 -9.198 1.00 0.00 C ATOM 1060 OD1 ASN A 63 5.571 -3.385 -9.196 1.00 0.00 O ATOM 1061 ND2 ASN A 63 3.829 -4.338 -10.189 1.00 0.00 N ATOM 0 H ASN A 63 4.234 -6.376 -5.899 1.00 0.00 H new ATOM 0 HA ASN A 63 5.245 -3.801 -6.551 1.00 0.00 H new ATOM 0 HB2 ASN A 63 5.311 -5.856 -8.016 1.00 0.00 H new ATOM 0 HB3 ASN A 63 3.573 -5.746 -8.211 1.00 0.00 H new ATOM 0 HD21 ASN A 63 3.912 -3.730 -11.004 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.091 -5.041 -10.150 1.00 0.00 H new ATOM 1068 N LEU A 64 1.980 -4.103 -6.353 1.00 0.00 N ATOM 1069 CA LEU A 64 0.729 -3.352 -6.279 1.00 0.00 C ATOM 1070 C LEU A 64 0.849 -2.347 -5.130 1.00 0.00 C ATOM 1071 O LEU A 64 0.566 -1.141 -5.278 1.00 0.00 O ATOM 1072 CB LEU A 64 -0.422 -4.340 -6.039 1.00 0.00 C ATOM 1073 CG LEU A 64 -1.871 -3.918 -6.311 1.00 0.00 C ATOM 1074 CD1 LEU A 64 -2.750 -5.149 -6.106 1.00 0.00 C ATOM 1075 CD2 LEU A 64 -2.359 -2.793 -5.417 1.00 0.00 C ATOM 0 H LEU A 64 1.891 -5.087 -6.100 1.00 0.00 H new ATOM 0 HA LEU A 64 0.529 -2.811 -7.204 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.223 -5.222 -6.648 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.367 -4.653 -4.996 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.925 -3.533 -7.329 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.792 -4.887 -6.291 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.444 -5.934 -6.798 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.642 -5.507 -5.082 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.391 -2.550 -5.669 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.304 -3.107 -4.375 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.733 -1.913 -5.565 1.00 0.00 H new ATOM 1087 N ALA A 65 1.295 -2.836 -3.981 1.00 0.00 N ATOM 1088 CA ALA A 65 1.483 -1.958 -2.827 1.00 0.00 C ATOM 1089 C ALA A 65 2.602 -0.930 -3.111 1.00 0.00 C ATOM 1090 O ALA A 65 2.577 0.197 -2.624 1.00 0.00 O ATOM 1091 CB ALA A 65 1.798 -2.784 -1.613 1.00 0.00 C ATOM 0 H ALA A 65 1.530 -3.815 -3.821 1.00 0.00 H new ATOM 0 HA ALA A 65 0.564 -1.404 -2.639 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.938 -2.129 -0.753 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.974 -3.470 -1.416 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.711 -3.354 -1.787 1.00 0.00 H new ATOM 1097 N LYS A 66 3.573 -1.320 -3.925 1.00 0.00 N ATOM 1098 CA LYS A 66 4.644 -0.420 -4.367 1.00 0.00 C ATOM 1099 C LYS A 66 4.041 0.689 -5.215 1.00 0.00 C ATOM 1100 O LYS A 66 4.518 1.815 -5.162 1.00 0.00 O ATOM 1101 CB LYS A 66 5.682 -1.206 -5.182 1.00 0.00 C ATOM 1102 CG LYS A 66 6.744 -0.398 -5.910 1.00 0.00 C ATOM 1103 CD LYS A 66 7.411 -1.300 -6.947 1.00 0.00 C ATOM 1104 CE LYS A 66 8.383 -0.541 -7.832 1.00 0.00 C ATOM 1105 NZ LYS A 66 9.606 -0.121 -7.078 1.00 0.00 N ATOM 0 H LYS A 66 3.646 -2.266 -4.300 1.00 0.00 H new ATOM 0 HA LYS A 66 5.141 0.016 -3.500 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.186 -1.900 -4.509 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.149 -1.807 -5.919 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.295 0.469 -6.395 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.484 -0.021 -5.204 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.940 -2.106 -6.438 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.645 -1.764 -7.568 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.673 -1.168 -8.675 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.889 0.339 -8.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.246 0.395 -7.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.332 0.497 -6.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 10.091 -0.963 -6.706 1.00 0.00 H new ATOM 1119 N GLN A 67 3.003 0.392 -5.982 1.00 0.00 N ATOM 1120 CA GLN A 67 2.347 1.423 -6.778 1.00 0.00 C ATOM 1121 C GLN A 67 1.624 2.377 -5.830 1.00 0.00 C ATOM 1122 O GLN A 67 1.789 3.580 -5.940 1.00 0.00 O ATOM 1123 CB GLN A 67 1.384 0.822 -7.804 1.00 0.00 C ATOM 1124 CG GLN A 67 1.056 1.780 -8.947 1.00 0.00 C ATOM 1125 CD GLN A 67 2.249 2.027 -9.856 1.00 0.00 C ATOM 1126 OE1 GLN A 67 2.802 1.108 -10.435 1.00 0.00 O ATOM 1127 NE2 GLN A 67 2.653 3.261 -9.974 1.00 0.00 N ATOM 0 H GLN A 67 2.600 -0.541 -6.071 1.00 0.00 H new ATOM 0 HA GLN A 67 3.098 1.969 -7.349 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.821 -0.088 -8.214 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.460 0.534 -7.302 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.233 1.372 -9.534 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.714 2.729 -8.535 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.167 4.007 -9.475 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.455 3.481 -10.565 1.00 0.00 H new ATOM 1136 N GLU A 68 0.855 1.860 -4.876 1.00 0.00 N ATOM 1137 CA GLU A 68 0.290 2.725 -3.821 1.00 0.00 C ATOM 1138 C GLU A 68 1.395 3.596 -3.151 1.00 0.00 C ATOM 1139 O GLU A 68 1.280 4.838 -2.999 1.00 0.00 O ATOM 1140 CB GLU A 68 -0.381 1.833 -2.770 1.00 0.00 C ATOM 1141 CG GLU A 68 -1.239 2.574 -1.789 1.00 0.00 C ATOM 1142 CD GLU A 68 -1.837 1.665 -0.724 1.00 0.00 C ATOM 1143 OE1 GLU A 68 -1.926 2.098 0.446 1.00 0.00 O ATOM 1144 OE2 GLU A 68 -2.223 0.527 -1.058 1.00 0.00 O ATOM 0 H GLU A 68 0.608 0.873 -4.803 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.438 3.402 -4.267 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.992 1.088 -3.279 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.391 1.292 -2.223 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.644 3.349 -1.306 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.044 3.077 -2.325 1.00 0.00 H new ATOM 1151 N ALA A 69 2.483 2.942 -2.769 1.00 0.00 N ATOM 1152 CA ALA A 69 3.598 3.629 -2.133 1.00 0.00 C ATOM 1153 C ALA A 69 4.232 4.683 -3.052 1.00 0.00 C ATOM 1154 O ALA A 69 4.702 5.697 -2.565 1.00 0.00 O ATOM 1155 CB ALA A 69 4.648 2.612 -1.673 1.00 0.00 C ATOM 0 H ALA A 69 2.617 1.938 -2.888 1.00 0.00 H new ATOM 0 HA ALA A 69 3.206 4.159 -1.265 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.478 3.135 -1.199 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.198 1.922 -0.959 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.016 2.054 -2.534 1.00 0.00 H new ATOM 1161 N GLN A 70 4.244 4.462 -4.362 1.00 0.00 N ATOM 1162 CA GLN A 70 4.790 5.449 -5.304 1.00 0.00 C ATOM 1163 C GLN A 70 3.962 6.711 -5.204 1.00 0.00 C ATOM 1164 O GLN A 70 4.514 7.802 -5.163 1.00 0.00 O ATOM 1165 CB GLN A 70 4.786 4.918 -6.755 1.00 0.00 C ATOM 1166 CG GLN A 70 4.768 6.015 -7.875 1.00 0.00 C ATOM 1167 CD GLN A 70 3.351 6.475 -8.245 1.00 0.00 C ATOM 1168 OE1 GLN A 70 2.454 5.657 -8.382 1.00 0.00 O ATOM 1169 NE2 GLN A 70 3.159 7.761 -8.414 1.00 0.00 N ATOM 0 H GLN A 70 3.885 3.614 -4.800 1.00 0.00 H new ATOM 0 HA GLN A 70 5.828 5.653 -5.043 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.668 4.293 -6.897 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.915 4.276 -6.886 1.00 0.00 H new ATOM 0 HG2 GLN A 70 5.347 6.876 -7.541 1.00 0.00 H new ATOM 0 HG3 GLN A 70 5.261 5.625 -8.765 1.00 0.00 H new ATOM 0 HE21 GLN A 70 3.934 8.413 -8.290 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.235 8.110 -8.669 1.00 0.00 H new ATOM 1178 N ARG A 71 2.647 6.565 -5.148 1.00 0.00 N ATOM 1179 CA ARG A 71 1.763 7.723 -5.054 1.00 0.00 C ATOM 1180 C ARG A 71 2.048 8.472 -3.778 1.00 0.00 C ATOM 1181 O ARG A 71 2.193 9.691 -3.773 1.00 0.00 O ATOM 1182 CB ARG A 71 0.304 7.279 -5.071 1.00 0.00 C ATOM 1183 CG ARG A 71 -0.064 6.508 -6.308 1.00 0.00 C ATOM 1184 CD ARG A 71 -1.532 6.233 -6.354 1.00 0.00 C ATOM 1185 NE ARG A 71 -1.925 5.796 -7.696 1.00 0.00 N ATOM 1186 CZ ARG A 71 -2.018 4.539 -8.107 1.00 0.00 C ATOM 1187 NH1 ARG A 71 -1.738 3.521 -7.329 1.00 0.00 N ATOM 1188 NH2 ARG A 71 -2.411 4.304 -9.323 1.00 0.00 N ATOM 0 H ARG A 71 2.168 5.664 -5.166 1.00 0.00 H new ATOM 0 HA ARG A 71 1.943 8.374 -5.909 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.108 6.662 -4.194 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.338 8.157 -4.993 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.231 7.072 -7.193 1.00 0.00 H new ATOM 0 HG3 ARG A 71 0.486 5.567 -6.331 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.788 5.465 -5.624 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -2.086 7.131 -6.080 1.00 0.00 H new ATOM 0 HE ARG A 71 -2.147 6.524 -8.375 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.436 3.681 -6.368 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -1.823 2.569 -7.685 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.642 5.080 -9.943 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -2.489 3.343 -9.657 1.00 0.00 H new ATOM 1202 N LEU A 72 2.153 7.738 -2.682 1.00 0.00 N ATOM 1203 CA LEU A 72 2.408 8.365 -1.389 1.00 0.00 C ATOM 1204 C LEU A 72 3.800 9.038 -1.356 1.00 0.00 C ATOM 1205 O LEU A 72 4.004 10.052 -0.680 1.00 0.00 O ATOM 1206 CB LEU A 72 2.187 7.320 -0.292 1.00 0.00 C ATOM 1207 CG LEU A 72 0.710 6.835 -0.311 1.00 0.00 C ATOM 1208 CD1 LEU A 72 0.553 5.475 0.310 1.00 0.00 C ATOM 1209 CD2 LEU A 72 -0.228 7.826 0.386 1.00 0.00 C ATOM 0 H LEU A 72 2.068 6.722 -2.657 1.00 0.00 H new ATOM 0 HA LEU A 72 1.708 9.181 -1.210 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.858 6.475 -0.443 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.426 7.747 0.682 1.00 0.00 H new ATOM 0 HG LEU A 72 0.431 6.770 -1.363 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.495 5.178 0.274 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.154 4.752 -0.241 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.886 5.508 1.347 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.250 7.447 0.349 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.077 7.946 1.425 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.180 8.790 -0.120 1.00 0.00 H new ATOM 1221 N LYS A 73 4.750 8.503 -2.113 1.00 0.00 N ATOM 1222 CA LYS A 73 6.098 9.088 -2.205 1.00 0.00 C ATOM 1223 C LYS A 73 6.166 10.288 -3.157 1.00 0.00 C ATOM 1224 O LYS A 73 6.939 11.214 -2.924 1.00 0.00 O ATOM 1225 CB LYS A 73 7.105 8.016 -2.630 1.00 0.00 C ATOM 1226 CG LYS A 73 7.384 7.031 -1.501 1.00 0.00 C ATOM 1227 CD LYS A 73 7.998 5.723 -1.974 1.00 0.00 C ATOM 1228 CE LYS A 73 8.020 4.746 -0.799 1.00 0.00 C ATOM 1229 NZ LYS A 73 8.499 3.370 -1.145 1.00 0.00 N ATOM 0 H LYS A 73 4.619 7.663 -2.676 1.00 0.00 H new ATOM 0 HA LYS A 73 6.351 9.462 -1.213 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.721 7.478 -3.497 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.036 8.492 -2.937 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.055 7.498 -0.780 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.452 6.817 -0.978 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.419 5.309 -2.800 1.00 0.00 H new ATOM 0 HD3 LYS A 73 9.009 5.891 -2.346 1.00 0.00 H new ATOM 0 HE2 LYS A 73 8.659 5.153 -0.016 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.015 4.674 -0.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.483 2.773 -0.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.877 2.958 -1.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 9.471 3.423 -1.512 1.00 0.00 H new ATOM 1243 N GLU A 74 5.363 10.291 -4.208 1.00 0.00 N ATOM 1244 CA GLU A 74 5.330 11.437 -5.119 1.00 0.00 C ATOM 1245 C GLU A 74 4.706 12.603 -4.360 1.00 0.00 C ATOM 1246 O GLU A 74 5.092 13.751 -4.523 1.00 0.00 O ATOM 1247 CB GLU A 74 4.529 11.126 -6.387 1.00 0.00 C ATOM 1248 CG GLU A 74 4.739 12.175 -7.480 1.00 0.00 C ATOM 1249 CD GLU A 74 3.886 11.931 -8.715 1.00 0.00 C ATOM 1250 OE1 GLU A 74 3.153 12.867 -9.140 1.00 0.00 O ATOM 1251 OE2 GLU A 74 3.954 10.813 -9.270 1.00 0.00 O ATOM 0 H GLU A 74 4.732 9.528 -4.455 1.00 0.00 H new ATOM 0 HA GLU A 74 6.341 11.683 -5.444 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.820 10.146 -6.766 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.469 11.070 -6.140 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.510 13.161 -7.077 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.790 12.185 -7.768 1.00 0.00 H new ATOM 1258 N LEU A 75 3.748 12.296 -3.501 1.00 0.00 N ATOM 1259 CA LEU A 75 3.147 13.321 -2.658 1.00 0.00 C ATOM 1260 C LEU A 75 4.191 13.788 -1.630 1.00 0.00 C ATOM 1261 O LEU A 75 4.353 14.998 -1.370 1.00 0.00 O ATOM 1262 CB LEU A 75 1.894 12.771 -1.968 1.00 0.00 C ATOM 1263 CG LEU A 75 0.534 12.893 -2.700 1.00 0.00 C ATOM 1264 CD1 LEU A 75 0.605 12.891 -4.235 1.00 0.00 C ATOM 1265 CD2 LEU A 75 -0.375 11.749 -2.248 1.00 0.00 C ATOM 0 H LEU A 75 3.372 11.357 -3.368 1.00 0.00 H new ATOM 0 HA LEU A 75 2.840 14.173 -3.264 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.066 11.715 -1.761 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.798 13.273 -1.005 1.00 0.00 H new ATOM 0 HG LEU A 75 0.144 13.873 -2.427 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.401 12.981 -4.646 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.211 13.732 -4.572 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.055 11.959 -4.577 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.336 11.825 -2.757 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.091 10.795 -2.493 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.529 11.811 -1.171 1.00 0.00 H new ATOM 1277 N ARG A 76 4.925 12.828 -1.073 1.00 0.00 N ATOM 1278 CA ARG A 76 6.016 13.117 -0.123 1.00 0.00 C ATOM 1279 C ARG A 76 7.066 14.057 -0.714 1.00 0.00 C ATOM 1280 O ARG A 76 7.778 14.721 0.032 1.00 0.00 O ATOM 1281 CB ARG A 76 6.687 11.809 0.314 1.00 0.00 C ATOM 1282 CG ARG A 76 7.750 11.957 1.386 1.00 0.00 C ATOM 1283 CD ARG A 76 8.222 10.592 1.842 1.00 0.00 C ATOM 1284 NE ARG A 76 9.227 10.695 2.915 1.00 0.00 N ATOM 1285 CZ ARG A 76 10.524 10.931 2.734 1.00 0.00 C ATOM 1286 NH1 ARG A 76 11.051 11.113 1.547 1.00 0.00 N ATOM 1287 NH2 ARG A 76 11.307 10.987 3.775 1.00 0.00 N ATOM 0 H ARG A 76 4.789 11.834 -1.260 1.00 0.00 H new ATOM 0 HA ARG A 76 5.572 13.617 0.737 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.918 11.129 0.679 1.00 0.00 H new ATOM 0 HB3 ARG A 76 7.138 11.340 -0.561 1.00 0.00 H new ATOM 0 HG2 ARG A 76 8.592 12.531 0.998 1.00 0.00 H new ATOM 0 HG3 ARG A 76 7.349 12.513 2.233 1.00 0.00 H new ATOM 0 HD2 ARG A 76 7.370 10.011 2.196 1.00 0.00 H new ATOM 0 HD3 ARG A 76 8.647 10.052 0.996 1.00 0.00 H new ATOM 0 HE ARG A 76 8.902 10.576 3.874 1.00 0.00 H new ATOM 0 HH11 ARG A 76 10.461 11.076 0.716 1.00 0.00 H new ATOM 0 HH12 ARG A 76 12.051 11.291 1.455 1.00 0.00 H new ATOM 0 HH21 ARG A 76 10.923 10.851 4.710 1.00 0.00 H new ATOM 0 HH22 ARG A 76 12.304 11.167 3.654 1.00 0.00 H new ATOM 1301 N GLU A 77 7.156 14.130 -2.035 1.00 0.00 N ATOM 1302 CA GLU A 77 8.087 15.060 -2.683 1.00 0.00 C ATOM 1303 C GLU A 77 7.807 16.505 -2.238 1.00 0.00 C ATOM 1304 O GLU A 77 8.724 17.323 -2.170 1.00 0.00 O ATOM 1305 CB GLU A 77 7.961 14.971 -4.209 1.00 0.00 C ATOM 1306 CG GLU A 77 9.091 15.662 -4.975 1.00 0.00 C ATOM 1307 CD GLU A 77 8.654 16.124 -6.358 1.00 0.00 C ATOM 1308 OE1 GLU A 77 9.233 15.653 -7.360 1.00 0.00 O ATOM 1309 OE2 GLU A 77 7.728 16.980 -6.440 1.00 0.00 O ATOM 0 H GLU A 77 6.603 13.564 -2.679 1.00 0.00 H new ATOM 0 HA GLU A 77 9.098 14.781 -2.386 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.931 13.921 -4.499 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.011 15.412 -4.510 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.443 16.520 -4.402 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.933 14.977 -5.073 1.00 0.00 H new ATOM 1316 N GLY A 78 6.555 16.828 -1.922 1.00 0.00 N ATOM 1317 CA GLY A 78 6.263 18.187 -1.478 1.00 0.00 C ATOM 1318 C GLY A 78 4.869 18.718 -1.730 1.00 0.00 C ATOM 1319 O GLY A 78 4.689 19.919 -1.945 1.00 0.00 O ATOM 0 H GLY A 78 5.756 16.196 -1.962 1.00 0.00 H new ATOM 0 HA2 GLY A 78 6.455 18.240 -0.406 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.972 18.859 -1.962 1.00 0.00 H new ATOM 1323 N THR A 79 3.873 17.853 -1.725 1.00 0.00 N ATOM 1324 CA THR A 79 2.503 18.275 -1.972 1.00 0.00 C ATOM 1325 C THR A 79 1.890 18.971 -0.755 1.00 0.00 C ATOM 1326 O THR A 79 1.910 18.445 0.354 1.00 0.00 O ATOM 1327 CB THR A 79 1.660 17.057 -2.342 1.00 0.00 C ATOM 1328 OG1 THR A 79 2.337 16.345 -3.373 1.00 0.00 O ATOM 1329 CG2 THR A 79 0.308 17.443 -2.860 1.00 0.00 C ATOM 0 H THR A 79 3.984 16.854 -1.553 1.00 0.00 H new ATOM 0 HA THR A 79 2.515 18.993 -2.792 1.00 0.00 H new ATOM 0 HB THR A 79 1.524 16.454 -1.444 1.00 0.00 H new ATOM 0 HG1 THR A 79 1.681 15.890 -3.941 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.256 16.544 -3.110 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.227 18.006 -2.096 1.00 0.00 H new ATOM 0 HG23 THR A 79 0.422 18.060 -3.752 1.00 0.00 H new ATOM 1337 N GLU A 80 1.336 20.156 -0.979 1.00 0.00 N ATOM 1338 CA GLU A 80 0.637 20.906 0.071 1.00 0.00 C ATOM 1339 C GLU A 80 -0.873 20.792 -0.131 1.00 0.00 C ATOM 1340 O GLU A 80 -1.650 20.747 0.816 1.00 0.00 O ATOM 1341 CB GLU A 80 1.023 22.392 -0.010 1.00 0.00 C ATOM 1342 CG GLU A 80 0.444 23.231 1.126 1.00 0.00 C ATOM 1343 CD GLU A 80 0.592 24.739 0.949 1.00 0.00 C ATOM 1344 OE1 GLU A 80 0.202 25.476 1.895 1.00 0.00 O ATOM 1345 OE2 GLU A 80 1.065 25.200 -0.108 1.00 0.00 O ATOM 0 H GLU A 80 1.355 20.626 -1.884 1.00 0.00 H new ATOM 0 HA GLU A 80 0.918 20.496 1.041 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.109 22.479 0.001 1.00 0.00 H new ATOM 0 HB3 GLU A 80 0.681 22.797 -0.962 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.615 22.994 1.230 1.00 0.00 H new ATOM 0 HG3 GLU A 80 0.929 22.940 2.058 1.00 0.00 H new ATOM 1352 N ASN A 81 -1.267 20.777 -1.395 1.00 0.00 N ATOM 1353 CA ASN A 81 -2.662 20.831 -1.808 1.00 0.00 C ATOM 1354 C ASN A 81 -2.648 20.467 -3.286 1.00 0.00 C ATOM 1355 O ASN A 81 -1.638 19.943 -3.769 1.00 0.00 O ATOM 1356 CB ASN A 81 -3.179 22.271 -1.622 1.00 0.00 C ATOM 1357 CG ASN A 81 -2.250 23.308 -2.233 1.00 0.00 C ATOM 1358 OD1 ASN A 81 -1.866 23.227 -3.393 1.00 0.00 O ATOM 1359 ND2 ASN A 81 -1.875 24.277 -1.445 1.00 0.00 N ATOM 0 H ASN A 81 -0.615 20.726 -2.177 1.00 0.00 H new ATOM 0 HA ASN A 81 -3.303 20.163 -1.233 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -4.166 22.360 -2.076 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -3.297 22.476 -0.558 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.242 24.999 -1.790 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.215 24.313 -0.484 1.00 0.00 H new ATOM 1366 N GLU A 82 -3.730 20.778 -3.991 1.00 0.00 N ATOM 1367 CA GLU A 82 -3.834 20.631 -5.451 1.00 0.00 C ATOM 1368 C GLU A 82 -2.936 21.672 -6.182 1.00 0.00 C ATOM 1369 O GLU A 82 -3.399 22.500 -6.978 1.00 0.00 O ATOM 1370 CB GLU A 82 -5.317 20.790 -5.853 1.00 0.00 C ATOM 1371 CG GLU A 82 -5.888 19.588 -6.579 1.00 0.00 C ATOM 1372 CD GLU A 82 -6.037 18.391 -5.664 1.00 0.00 C ATOM 1373 OE1 GLU A 82 -5.517 17.310 -6.006 1.00 0.00 O ATOM 1374 OE2 GLU A 82 -6.665 18.531 -4.597 1.00 0.00 O ATOM 0 H GLU A 82 -4.579 21.147 -3.562 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.480 19.644 -5.749 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.909 20.976 -4.956 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.419 21.669 -6.490 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.860 19.846 -6.999 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.239 19.327 -7.415 1.00 0.00 H new ATOM 1479 N TYR A 88 -3.974 16.396 -9.600 1.00 0.00 N ATOM 1480 CA TYR A 88 -4.424 15.045 -9.335 1.00 0.00 C ATOM 1481 C TYR A 88 -3.848 14.582 -7.991 1.00 0.00 C ATOM 1482 O TYR A 88 -3.727 13.402 -7.741 1.00 0.00 O ATOM 1483 CB TYR A 88 -3.921 14.137 -10.473 1.00 0.00 C ATOM 1484 CG TYR A 88 -2.405 14.191 -10.679 1.00 0.00 C ATOM 1485 CD1 TYR A 88 -1.820 15.089 -11.602 1.00 0.00 C ATOM 1486 CD2 TYR A 88 -1.551 13.338 -9.955 1.00 0.00 C ATOM 1487 CE1 TYR A 88 -0.401 15.130 -11.780 1.00 0.00 C ATOM 1488 CE2 TYR A 88 -0.145 13.378 -10.126 1.00 0.00 C ATOM 1489 CZ TYR A 88 0.418 14.271 -11.032 1.00 0.00 C ATOM 1490 OH TYR A 88 1.783 14.305 -11.178 1.00 0.00 O ATOM 0 HA TYR A 88 -5.512 15.001 -9.286 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -4.214 13.109 -10.262 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -4.415 14.425 -11.401 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.451 15.750 -12.178 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -1.977 12.637 -9.253 1.00 0.00 H new ATOM 0 HE1 TYR A 88 0.038 15.819 -12.487 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.489 12.716 -9.554 1.00 0.00 H new ATOM 0 HH TYR A 88 2.202 13.784 -10.461 1.00 0.00 H new ATOM 1500 N ALA A 89 -3.470 15.509 -7.124 1.00 0.00 N ATOM 1501 CA ALA A 89 -2.842 15.129 -5.860 1.00 0.00 C ATOM 1502 C ALA A 89 -3.792 14.315 -4.969 1.00 0.00 C ATOM 1503 O ALA A 89 -3.482 13.194 -4.576 1.00 0.00 O ATOM 1504 CB ALA A 89 -2.373 16.382 -5.118 1.00 0.00 C ATOM 0 H ALA A 89 -3.582 16.513 -7.264 1.00 0.00 H new ATOM 0 HA ALA A 89 -1.986 14.495 -6.091 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -1.906 16.094 -4.176 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -1.651 16.920 -5.732 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.228 17.027 -4.916 1.00 0.00 H new ATOM 1510 N GLU A 90 -4.954 14.862 -4.655 1.00 0.00 N ATOM 1511 CA GLU A 90 -5.891 14.146 -3.790 1.00 0.00 C ATOM 1512 C GLU A 90 -6.526 13.020 -4.602 1.00 0.00 C ATOM 1513 O GLU A 90 -7.033 12.043 -4.053 1.00 0.00 O ATOM 1514 CB GLU A 90 -6.940 15.095 -3.204 1.00 0.00 C ATOM 1515 CG GLU A 90 -6.347 16.156 -2.248 1.00 0.00 C ATOM 1516 CD GLU A 90 -5.712 15.557 -0.987 1.00 0.00 C ATOM 1517 OE1 GLU A 90 -6.405 15.449 0.053 1.00 0.00 O ATOM 1518 OE2 GLU A 90 -4.512 15.201 -1.019 1.00 0.00 O ATOM 0 H GLU A 90 -5.271 15.777 -4.974 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.362 13.719 -2.938 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.457 15.601 -4.020 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.687 14.511 -2.667 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -5.595 16.736 -2.783 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -7.135 16.849 -1.954 1.00 0.00 H new ATOM 1525 N GLU A 91 -6.455 13.139 -5.919 1.00 0.00 N ATOM 1526 CA GLU A 91 -6.899 12.062 -6.797 1.00 0.00 C ATOM 1527 C GLU A 91 -5.957 10.871 -6.588 1.00 0.00 C ATOM 1528 O GLU A 91 -6.383 9.729 -6.673 1.00 0.00 O ATOM 1529 CB GLU A 91 -6.877 12.497 -8.266 1.00 0.00 C ATOM 1530 CG GLU A 91 -7.546 11.521 -9.219 1.00 0.00 C ATOM 1531 CD GLU A 91 -7.146 11.774 -10.663 1.00 0.00 C ATOM 1532 OE1 GLU A 91 -7.377 12.894 -11.175 1.00 0.00 O ATOM 1533 OE2 GLU A 91 -6.585 10.845 -11.286 1.00 0.00 O ATOM 0 H GLU A 91 -6.097 13.963 -6.403 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.927 11.792 -6.554 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -7.369 13.466 -8.353 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.841 12.636 -8.576 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.278 10.502 -8.942 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -8.629 11.604 -9.122 1.00 0.00 H new ATOM 1540 N GLU A 92 -4.682 11.118 -6.293 1.00 0.00 N ATOM 1541 CA GLU A 92 -3.760 10.001 -6.067 1.00 0.00 C ATOM 1542 C GLU A 92 -4.167 9.270 -4.802 1.00 0.00 C ATOM 1543 O GLU A 92 -3.917 8.088 -4.673 1.00 0.00 O ATOM 1544 CB GLU A 92 -2.300 10.450 -5.961 1.00 0.00 C ATOM 1545 CG GLU A 92 -1.655 10.751 -7.299 1.00 0.00 C ATOM 1546 CD GLU A 92 -1.097 9.506 -7.977 1.00 0.00 C ATOM 1547 OE1 GLU A 92 0.144 9.375 -8.052 1.00 0.00 O ATOM 1548 OE2 GLU A 92 -1.896 8.651 -8.427 1.00 0.00 O ATOM 0 H GLU A 92 -4.271 12.048 -6.206 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.825 9.340 -6.931 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.248 11.340 -5.334 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -1.726 9.672 -5.458 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.390 11.218 -7.955 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.851 11.473 -7.156 1.00 0.00 H new ATOM 1555 N LEU A 93 -4.815 9.957 -3.871 1.00 0.00 N ATOM 1556 CA LEU A 93 -5.287 9.296 -2.656 1.00 0.00 C ATOM 1557 C LEU A 93 -6.521 8.456 -2.977 1.00 0.00 C ATOM 1558 O LEU A 93 -6.743 7.412 -2.369 1.00 0.00 O ATOM 1559 CB LEU A 93 -5.596 10.299 -1.543 1.00 0.00 C ATOM 1560 CG LEU A 93 -4.388 11.073 -0.993 1.00 0.00 C ATOM 1561 CD1 LEU A 93 -4.865 12.027 0.094 1.00 0.00 C ATOM 1562 CD2 LEU A 93 -3.327 10.127 -0.410 1.00 0.00 C ATOM 0 H LEU A 93 -5.024 10.954 -3.928 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.489 8.649 -2.292 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.325 11.017 -1.918 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.069 9.765 -0.719 1.00 0.00 H new ATOM 0 HG LEU A 93 -3.931 11.624 -1.815 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.014 12.581 0.491 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.589 12.725 -0.327 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -5.334 11.458 0.897 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -2.488 10.711 -0.031 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.764 9.548 0.404 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -2.976 9.450 -1.189 1.00 0.00 H new ATOM 1574 N GLU A 94 -7.313 8.887 -3.948 1.00 0.00 N ATOM 1575 CA GLU A 94 -8.451 8.081 -4.398 1.00 0.00 C ATOM 1576 C GLU A 94 -7.886 6.842 -5.114 1.00 0.00 C ATOM 1577 O GLU A 94 -8.402 5.739 -4.990 1.00 0.00 O ATOM 1578 CB GLU A 94 -9.367 8.895 -5.327 1.00 0.00 C ATOM 1579 CG GLU A 94 -10.695 8.205 -5.694 1.00 0.00 C ATOM 1580 CD GLU A 94 -11.735 8.251 -4.569 1.00 0.00 C ATOM 1581 OE1 GLU A 94 -12.827 8.824 -4.778 1.00 0.00 O ATOM 1582 OE2 GLU A 94 -11.474 7.703 -3.475 1.00 0.00 O ATOM 0 H GLU A 94 -7.197 9.775 -4.436 1.00 0.00 H new ATOM 0 HA GLU A 94 -9.062 7.776 -3.548 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -9.590 9.849 -4.849 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -8.824 9.118 -6.245 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -11.110 8.681 -6.582 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -10.496 7.165 -5.953 1.00 0.00 H new ATOM 1589 N GLN A 95 -6.794 7.017 -5.842 1.00 0.00 N ATOM 1590 CA GLN A 95 -6.141 5.888 -6.504 1.00 0.00 C ATOM 1591 C GLN A 95 -5.418 4.983 -5.484 1.00 0.00 C ATOM 1592 O GLN A 95 -5.259 3.793 -5.724 1.00 0.00 O ATOM 1593 CB GLN A 95 -5.155 6.379 -7.564 1.00 0.00 C ATOM 1594 CG GLN A 95 -5.799 7.072 -8.770 1.00 0.00 C ATOM 1595 CD GLN A 95 -4.780 7.406 -9.850 1.00 0.00 C ATOM 1596 OE1 GLN A 95 -3.944 6.575 -10.203 1.00 0.00 O ATOM 1597 NE2 GLN A 95 -4.848 8.598 -10.381 1.00 0.00 N ATOM 0 H GLN A 95 -6.341 7.919 -5.991 1.00 0.00 H new ATOM 0 HA GLN A 95 -6.917 5.299 -6.993 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -4.455 7.071 -7.096 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.573 5.529 -7.920 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -6.572 6.427 -9.188 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -6.291 7.987 -8.441 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -5.556 9.259 -10.061 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -4.193 8.867 -11.115 1.00 0.00 H new ATOM 1606 N VAL A 96 -5.004 5.533 -4.349 1.00 0.00 N ATOM 1607 CA VAL A 96 -4.406 4.748 -3.252 1.00 0.00 C ATOM 1608 C VAL A 96 -5.508 3.873 -2.660 1.00 0.00 C ATOM 1609 O VAL A 96 -5.312 2.681 -2.387 1.00 0.00 O ATOM 1610 CB VAL A 96 -3.807 5.697 -2.146 1.00 0.00 C ATOM 1611 CG1 VAL A 96 -3.789 5.044 -0.749 1.00 0.00 C ATOM 1612 CG2 VAL A 96 -2.400 6.150 -2.537 1.00 0.00 C ATOM 0 H VAL A 96 -5.069 6.532 -4.154 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.589 4.134 -3.631 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.463 6.565 -2.084 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.366 5.742 -0.026 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.807 4.788 -0.454 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.181 4.140 -0.778 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.000 6.805 -1.763 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.754 5.279 -2.644 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.441 6.690 -3.483 1.00 0.00 H new ATOM 1622 N ARG A 97 -6.680 4.465 -2.485 1.00 0.00 N ATOM 1623 CA ARG A 97 -7.839 3.741 -1.982 1.00 0.00 C ATOM 1624 C ARG A 97 -8.142 2.592 -2.929 1.00 0.00 C ATOM 1625 O ARG A 97 -8.415 1.494 -2.484 1.00 0.00 O ATOM 1626 CB ARG A 97 -9.028 4.697 -1.885 1.00 0.00 C ATOM 1627 CG ARG A 97 -10.351 4.079 -1.482 1.00 0.00 C ATOM 1628 CD ARG A 97 -11.426 5.054 -1.890 1.00 0.00 C ATOM 1629 NE ARG A 97 -12.788 4.622 -1.557 1.00 0.00 N ATOM 1630 CZ ARG A 97 -13.888 5.280 -1.906 1.00 0.00 C ATOM 1631 NH1 ARG A 97 -13.852 6.395 -2.593 1.00 0.00 N ATOM 1632 NH2 ARG A 97 -15.051 4.806 -1.552 1.00 0.00 N ATOM 0 H ARG A 97 -6.854 5.450 -2.685 1.00 0.00 H new ATOM 0 HA ARG A 97 -7.640 3.339 -0.989 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -8.782 5.478 -1.166 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -9.157 5.183 -2.852 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -10.494 3.117 -1.973 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -10.382 3.896 -0.408 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -11.233 6.013 -1.408 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -11.362 5.219 -2.966 1.00 0.00 H new ATOM 0 HE ARG A 97 -12.897 3.760 -1.023 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -12.956 6.789 -2.880 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -14.720 6.870 -2.841 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -15.107 3.941 -1.014 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -15.904 5.300 -1.813 1.00 0.00 H new ATOM 1646 N GLU A 98 -8.079 2.834 -4.230 1.00 0.00 N ATOM 1647 CA GLU A 98 -8.321 1.771 -5.206 1.00 0.00 C ATOM 1648 C GLU A 98 -7.188 0.734 -5.231 1.00 0.00 C ATOM 1649 O GLU A 98 -7.447 -0.438 -5.461 1.00 0.00 O ATOM 1650 CB GLU A 98 -8.548 2.357 -6.600 1.00 0.00 C ATOM 1651 CG GLU A 98 -9.888 3.094 -6.728 1.00 0.00 C ATOM 1652 CD GLU A 98 -11.084 2.192 -6.421 1.00 0.00 C ATOM 1653 OE1 GLU A 98 -11.263 1.168 -7.113 1.00 0.00 O ATOM 1654 OE2 GLU A 98 -11.850 2.496 -5.478 1.00 0.00 O ATOM 0 H GLU A 98 -7.865 3.745 -4.636 1.00 0.00 H new ATOM 0 HA GLU A 98 -9.226 1.250 -4.893 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -7.737 3.046 -6.835 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -8.509 1.554 -7.337 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -9.896 3.947 -6.049 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -9.986 3.490 -7.739 1.00 0.00 H new ATOM 1661 N ALA A 99 -5.951 1.146 -4.971 1.00 0.00 N ATOM 1662 CA ALA A 99 -4.822 0.208 -4.864 1.00 0.00 C ATOM 1663 C ALA A 99 -5.135 -0.755 -3.705 1.00 0.00 C ATOM 1664 O ALA A 99 -5.142 -1.993 -3.862 1.00 0.00 O ATOM 1665 CB ALA A 99 -3.519 0.968 -4.607 1.00 0.00 C ATOM 0 H ALA A 99 -5.698 2.124 -4.829 1.00 0.00 H new ATOM 0 HA ALA A 99 -4.692 -0.348 -5.792 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -2.694 0.260 -4.530 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -3.331 1.657 -5.431 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -3.603 1.530 -3.677 1.00 0.00 H new ATOM 1671 N LEU A 100 -5.420 -0.174 -2.546 1.00 0.00 N ATOM 1672 CA LEU A 100 -5.727 -0.962 -1.358 1.00 0.00 C ATOM 1673 C LEU A 100 -6.959 -1.839 -1.585 1.00 0.00 C ATOM 1674 O LEU A 100 -6.961 -3.011 -1.241 1.00 0.00 O ATOM 1675 CB LEU A 100 -5.947 -0.028 -0.163 1.00 0.00 C ATOM 1676 CG LEU A 100 -6.131 -0.705 1.206 1.00 0.00 C ATOM 1677 CD1 LEU A 100 -4.881 -1.489 1.622 1.00 0.00 C ATOM 1678 CD2 LEU A 100 -6.444 0.363 2.254 1.00 0.00 C ATOM 0 H LEU A 100 -5.445 0.836 -2.403 1.00 0.00 H new ATOM 0 HA LEU A 100 -4.884 -1.620 -1.149 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.096 0.650 -0.098 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.827 0.583 -0.364 1.00 0.00 H new ATOM 0 HG LEU A 100 -6.956 -1.414 1.130 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -5.049 -1.953 2.594 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.673 -2.262 0.882 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -4.030 -0.810 1.686 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -6.576 -0.110 3.227 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -5.620 1.075 2.305 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.359 0.886 1.978 1.00 0.00 H new ATOM 1690 N ARG A 101 -7.997 -1.271 -2.182 1.00 0.00 N ATOM 1691 CA ARG A 101 -9.240 -1.997 -2.484 1.00 0.00 C ATOM 1692 C ARG A 101 -8.993 -3.165 -3.428 1.00 0.00 C ATOM 1693 O ARG A 101 -9.570 -4.239 -3.265 1.00 0.00 O ATOM 1694 CB ARG A 101 -10.226 -1.022 -3.131 1.00 0.00 C ATOM 1695 CG ARG A 101 -11.600 -1.572 -3.445 1.00 0.00 C ATOM 1696 CD ARG A 101 -12.328 -0.546 -4.296 1.00 0.00 C ATOM 1697 NE ARG A 101 -13.691 -0.961 -4.659 1.00 0.00 N ATOM 1698 CZ ARG A 101 -14.473 -0.317 -5.519 1.00 0.00 C ATOM 1699 NH1 ARG A 101 -14.091 0.764 -6.147 1.00 0.00 N ATOM 1700 NH2 ARG A 101 -15.672 -0.777 -5.753 1.00 0.00 N ATOM 0 H ARG A 101 -8.009 -0.294 -2.474 1.00 0.00 H new ATOM 0 HA ARG A 101 -9.643 -2.400 -1.555 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -10.343 -0.164 -2.469 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -9.785 -0.653 -4.057 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -11.519 -2.521 -3.976 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -12.153 -1.767 -2.526 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -12.374 0.399 -3.755 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -11.755 -0.365 -5.206 1.00 0.00 H new ATOM 0 HE ARG A 101 -14.063 -1.803 -4.219 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -13.159 1.145 -5.985 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -14.725 1.226 -6.799 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -15.997 -1.619 -5.278 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -16.284 -0.294 -6.410 1.00 0.00 H new ATOM 1714 N LYS A 102 -8.146 -2.963 -4.425 1.00 0.00 N ATOM 1715 CA LYS A 102 -7.844 -4.020 -5.386 1.00 0.00 C ATOM 1716 C LYS A 102 -7.146 -5.164 -4.673 1.00 0.00 C ATOM 1717 O LYS A 102 -7.461 -6.326 -4.923 1.00 0.00 O ATOM 1718 CB LYS A 102 -6.974 -3.471 -6.533 1.00 0.00 C ATOM 1719 CG LYS A 102 -6.358 -4.539 -7.443 1.00 0.00 C ATOM 1720 CD LYS A 102 -7.393 -5.364 -8.217 1.00 0.00 C ATOM 1721 CE LYS A 102 -6.725 -6.578 -8.863 1.00 0.00 C ATOM 1722 NZ LYS A 102 -6.211 -7.517 -7.807 1.00 0.00 N ATOM 0 H LYS A 102 -7.657 -2.084 -4.592 1.00 0.00 H new ATOM 0 HA LYS A 102 -8.772 -4.391 -5.821 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -7.582 -2.802 -7.142 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -6.171 -2.871 -6.105 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -5.688 -4.055 -8.154 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -5.750 -5.211 -6.838 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -8.185 -5.691 -7.544 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -7.861 -4.747 -8.984 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -7.439 -7.096 -9.503 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -5.903 -6.252 -9.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -5.178 -7.600 -7.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -6.455 -7.148 -6.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -6.645 -8.454 -7.934 1.00 0.00 H new ATOM 1736 N ALA A 103 -6.214 -4.852 -3.786 1.00 0.00 N ATOM 1737 CA ALA A 103 -5.514 -5.902 -3.047 1.00 0.00 C ATOM 1738 C ALA A 103 -6.465 -6.604 -2.054 1.00 0.00 C ATOM 1739 O ALA A 103 -6.482 -7.839 -1.931 1.00 0.00 O ATOM 1740 CB ALA A 103 -4.328 -5.299 -2.317 1.00 0.00 C ATOM 0 H ALA A 103 -5.925 -3.900 -3.560 1.00 0.00 H new ATOM 0 HA ALA A 103 -5.158 -6.654 -3.751 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -3.805 -6.080 -1.765 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.648 -4.847 -3.039 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -4.678 -4.536 -1.622 1.00 0.00 H new ATOM 1746 N GLU A 104 -7.259 -5.800 -1.361 1.00 0.00 N ATOM 1747 CA GLU A 104 -8.214 -6.291 -0.370 1.00 0.00 C ATOM 1748 C GLU A 104 -9.173 -7.292 -0.985 1.00 0.00 C ATOM 1749 O GLU A 104 -9.371 -8.373 -0.447 1.00 0.00 O ATOM 1750 CB GLU A 104 -9.013 -5.110 0.199 1.00 0.00 C ATOM 1751 CG GLU A 104 -10.072 -5.491 1.228 1.00 0.00 C ATOM 1752 CD GLU A 104 -10.957 -4.306 1.593 1.00 0.00 C ATOM 1753 OE1 GLU A 104 -11.644 -3.767 0.689 1.00 0.00 O ATOM 1754 OE2 GLU A 104 -10.976 -3.922 2.781 1.00 0.00 O ATOM 0 H GLU A 104 -7.261 -4.786 -1.468 1.00 0.00 H new ATOM 0 HA GLU A 104 -7.657 -6.787 0.425 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.318 -4.406 0.657 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.499 -4.587 -0.625 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -10.689 -6.298 0.833 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -9.586 -5.872 2.126 1.00 0.00 H new ATOM 1761 N LYS A 105 -9.772 -6.940 -2.115 1.00 0.00 N ATOM 1762 CA LYS A 105 -10.739 -7.830 -2.750 1.00 0.00 C ATOM 1763 C LYS A 105 -10.075 -9.008 -3.446 1.00 0.00 C ATOM 1764 O LYS A 105 -10.717 -10.012 -3.709 1.00 0.00 O ATOM 1765 CB LYS A 105 -11.653 -7.060 -3.695 1.00 0.00 C ATOM 1766 CG LYS A 105 -12.494 -6.020 -2.942 1.00 0.00 C ATOM 1767 CD LYS A 105 -13.796 -5.672 -3.661 1.00 0.00 C ATOM 1768 CE LYS A 105 -14.870 -6.763 -3.489 1.00 0.00 C ATOM 1769 NZ LYS A 105 -15.285 -6.954 -2.052 1.00 0.00 N ATOM 0 H LYS A 105 -9.611 -6.060 -2.605 1.00 0.00 H new ATOM 0 HA LYS A 105 -11.356 -8.251 -1.956 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -11.054 -6.562 -4.457 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -12.312 -7.756 -4.213 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -12.725 -6.399 -1.947 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -11.905 -5.112 -2.808 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -14.178 -4.726 -3.278 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -13.595 -5.528 -4.723 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -15.745 -6.501 -4.083 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -14.489 -7.706 -3.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -16.033 -7.675 -1.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -14.465 -7.264 -1.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -15.644 -6.055 -1.672 1.00 0.00 H new ATOM 1783 N GLU A 106 -8.786 -8.906 -3.725 1.00 0.00 N ATOM 1784 CA GLU A 106 -8.059 -10.047 -4.273 1.00 0.00 C ATOM 1785 C GLU A 106 -7.868 -11.049 -3.138 1.00 0.00 C ATOM 1786 O GLU A 106 -8.164 -12.238 -3.285 1.00 0.00 O ATOM 1787 CB GLU A 106 -6.708 -9.615 -4.844 1.00 0.00 C ATOM 1788 CG GLU A 106 -5.893 -10.756 -5.418 1.00 0.00 C ATOM 1789 CD GLU A 106 -4.574 -10.277 -5.987 1.00 0.00 C ATOM 1790 OE1 GLU A 106 -3.514 -10.625 -5.428 1.00 0.00 O ATOM 1791 OE2 GLU A 106 -4.597 -9.537 -6.997 1.00 0.00 O ATOM 0 H GLU A 106 -8.227 -8.064 -3.586 1.00 0.00 H new ATOM 0 HA GLU A 106 -8.620 -10.495 -5.093 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.875 -8.872 -5.624 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -6.131 -9.128 -4.058 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -5.705 -11.496 -4.640 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.466 -11.254 -6.200 1.00 0.00 H new ATOM 1798 N LEU A 107 -7.397 -10.574 -1.993 1.00 0.00 N ATOM 1799 CA LEU A 107 -7.201 -11.473 -0.857 1.00 0.00 C ATOM 1800 C LEU A 107 -8.551 -12.040 -0.403 1.00 0.00 C ATOM 1801 O LEU A 107 -8.659 -13.204 -0.026 1.00 0.00 O ATOM 1802 CB LEU A 107 -6.483 -10.742 0.274 1.00 0.00 C ATOM 1803 CG LEU A 107 -5.439 -11.612 0.992 1.00 0.00 C ATOM 1804 CD1 LEU A 107 -4.454 -10.712 1.695 1.00 0.00 C ATOM 1805 CD2 LEU A 107 -6.080 -12.581 1.984 1.00 0.00 C ATOM 0 H LEU A 107 -7.148 -9.599 -1.824 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.572 -12.310 -1.158 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -5.993 -9.856 -0.129 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -7.219 -10.397 1.000 1.00 0.00 H new ATOM 0 HG LEU A 107 -4.926 -12.220 0.246 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -3.708 -11.319 2.208 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -3.960 -10.072 0.964 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -4.981 -10.094 2.422 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -5.303 -13.174 2.467 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -6.629 -12.018 2.739 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -6.766 -13.243 1.455 1.00 0.00 H new ATOM 1817 N GLU A 108 -9.586 -11.218 -0.478 1.00 0.00 N ATOM 1818 CA GLU A 108 -10.947 -11.658 -0.180 1.00 0.00 C ATOM 1819 C GLU A 108 -11.306 -12.814 -1.111 1.00 0.00 C ATOM 1820 O GLU A 108 -11.809 -13.842 -0.660 1.00 0.00 O ATOM 1821 CB GLU A 108 -11.917 -10.496 -0.402 1.00 0.00 C ATOM 1822 CG GLU A 108 -13.384 -10.789 -0.149 1.00 0.00 C ATOM 1823 CD GLU A 108 -14.264 -9.708 -0.762 1.00 0.00 C ATOM 1824 OE1 GLU A 108 -14.277 -9.590 -2.008 1.00 0.00 O ATOM 1825 OE2 GLU A 108 -14.933 -8.957 -0.020 1.00 0.00 O ATOM 0 H GLU A 108 -9.512 -10.236 -0.744 1.00 0.00 H new ATOM 0 HA GLU A 108 -11.014 -11.987 0.857 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -11.616 -9.671 0.244 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -11.809 -10.152 -1.431 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -13.644 -11.759 -0.572 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -13.568 -10.849 0.924 1.00 0.00 H new ATOM 1832 N SER A 109 -11.039 -12.663 -2.402 1.00 0.00 N ATOM 1833 CA SER A 109 -11.354 -13.713 -3.368 1.00 0.00 C ATOM 1834 C SER A 109 -10.556 -14.987 -3.096 1.00 0.00 C ATOM 1835 O SER A 109 -11.055 -16.083 -3.336 1.00 0.00 O ATOM 1836 CB SER A 109 -11.132 -13.230 -4.808 1.00 0.00 C ATOM 1837 OG SER A 109 -9.761 -13.059 -5.131 1.00 0.00 O ATOM 0 H SER A 109 -10.608 -11.831 -2.804 1.00 0.00 H new ATOM 0 HA SER A 109 -12.411 -13.952 -3.250 1.00 0.00 H new ATOM 0 HB2 SER A 109 -11.575 -13.948 -5.498 1.00 0.00 H new ATOM 0 HB3 SER A 109 -11.654 -12.284 -4.953 1.00 0.00 H new ATOM 0 HG SER A 109 -9.249 -12.900 -4.311 1.00 0.00 H new ATOM 1843 N HIS A 110 -9.342 -14.863 -2.565 1.00 0.00 N ATOM 1844 CA HIS A 110 -8.553 -16.057 -2.245 1.00 0.00 C ATOM 1845 C HIS A 110 -9.108 -16.750 -0.999 1.00 0.00 C ATOM 1846 O HIS A 110 -8.937 -17.952 -0.822 1.00 0.00 O ATOM 1847 CB HIS A 110 -7.100 -15.681 -1.935 1.00 0.00 C ATOM 1848 CG HIS A 110 -6.307 -15.241 -3.127 1.00 0.00 C ATOM 1849 ND1 HIS A 110 -6.128 -15.989 -4.263 1.00 0.00 N ATOM 1850 CD2 HIS A 110 -5.593 -14.102 -3.340 1.00 0.00 C ATOM 1851 CE1 HIS A 110 -5.347 -15.306 -5.093 1.00 0.00 C ATOM 1852 NE2 HIS A 110 -4.980 -14.149 -4.577 1.00 0.00 N ATOM 0 H HIS A 110 -8.890 -13.974 -2.350 1.00 0.00 H new ATOM 0 HA HIS A 110 -8.604 -16.716 -3.112 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -7.095 -14.881 -1.195 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -6.604 -16.539 -1.481 1.00 0.00 H new ATOM 0 HD1 HIS A 110 -6.526 -16.911 -4.440 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -5.517 -13.281 -2.643 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -5.049 -15.655 -6.071 1.00 0.00 H new ATOM 1860 N SER A 111 -9.790 -16.001 -0.145 1.00 0.00 N ATOM 1861 CA SER A 111 -10.393 -16.575 1.063 1.00 0.00 C ATOM 1862 C SER A 111 -11.843 -16.995 0.828 1.00 0.00 C ATOM 1863 O SER A 111 -12.438 -17.684 1.649 1.00 0.00 O ATOM 1864 CB SER A 111 -10.326 -15.568 2.216 1.00 0.00 C ATOM 1865 OG SER A 111 -11.092 -14.402 1.948 1.00 0.00 O ATOM 0 H SER A 111 -9.943 -14.999 -0.259 1.00 0.00 H new ATOM 0 HA SER A 111 -9.823 -17.467 1.322 1.00 0.00 H new ATOM 0 HB2 SER A 111 -10.689 -16.038 3.130 1.00 0.00 H new ATOM 0 HB3 SER A 111 -9.288 -15.287 2.393 1.00 0.00 H new ATOM 0 HG SER A 111 -11.347 -14.388 1.002 1.00 0.00 H new ATOM 1871 N SER A 112 -12.414 -16.568 -0.291 1.00 0.00 N ATOM 1872 CA SER A 112 -13.816 -16.859 -0.608 1.00 0.00 C ATOM 1873 C SER A 112 -14.070 -18.294 -1.060 1.00 0.00 C ATOM 1874 O SER A 112 -15.225 -18.709 -1.159 1.00 0.00 O ATOM 1875 CB SER A 112 -14.310 -15.923 -1.712 1.00 0.00 C ATOM 1876 OG SER A 112 -14.315 -14.574 -1.275 1.00 0.00 O ATOM 0 H SER A 112 -11.930 -16.017 -1.000 1.00 0.00 H new ATOM 0 HA SER A 112 -14.359 -16.708 0.325 1.00 0.00 H new ATOM 0 HB2 SER A 112 -13.671 -16.022 -2.589 1.00 0.00 H new ATOM 0 HB3 SER A 112 -15.316 -16.213 -2.016 1.00 0.00 H new ATOM 0 HG SER A 112 -13.394 -14.241 -1.231 1.00 0.00 H new ATOM 1882 N TRP A 113 -13.020 -19.053 -1.347 1.00 0.00 N ATOM 1883 CA TRP A 113 -13.199 -20.424 -1.820 1.00 0.00 C ATOM 1884 C TRP A 113 -12.165 -21.386 -1.232 1.00 0.00 C ATOM 1885 O TRP A 113 -10.962 -21.129 -1.264 1.00 0.00 O ATOM 1886 CB TRP A 113 -13.155 -20.451 -3.346 1.00 0.00 C ATOM 1887 CG TRP A 113 -13.813 -21.669 -3.914 1.00 0.00 C ATOM 1888 CD1 TRP A 113 -13.262 -22.889 -4.104 1.00 0.00 C ATOM 1889 CD2 TRP A 113 -15.181 -21.800 -4.350 1.00 0.00 C ATOM 1890 NE1 TRP A 113 -14.153 -23.773 -4.626 1.00 0.00 N ATOM 1891 CE2 TRP A 113 -15.352 -23.142 -4.800 1.00 0.00 C ATOM 1892 CE3 TRP A 113 -16.282 -20.919 -4.406 1.00 0.00 C ATOM 1893 CZ2 TRP A 113 -16.581 -23.624 -5.297 1.00 0.00 C ATOM 1894 CZ3 TRP A 113 -17.522 -21.397 -4.909 1.00 0.00 C ATOM 1895 CH2 TRP A 113 -17.654 -22.749 -5.352 1.00 0.00 C ATOM 0 H TRP A 113 -12.049 -18.751 -1.263 1.00 0.00 H new ATOM 0 HA TRP A 113 -14.175 -20.768 -1.476 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -13.647 -19.560 -3.737 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -12.117 -20.414 -3.678 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -12.236 -23.132 -3.869 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -13.958 -24.749 -4.851 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -16.184 -19.897 -4.072 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -16.683 -24.648 -5.626 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -18.372 -20.733 -4.957 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -18.603 -23.094 -5.735 1.00 0.00 H new