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 57 LYS NZ :NH3+ -153:sc= 2.67 (180deg=-0.19) USER MOD Set 1.2: A 110 HIS : no HE2:sc= 0.947 K(o=3.6,f=-9.9!) USER MOD Set 2.1: A 63 ASN : amide:sc= 0.986 K(o=2,f=-4.2!) USER MOD Set 2.2: A 66 LYS NZ :NH3+ 173:sc= 1.03 (180deg=0) USER MOD Set 3.1: A 31 HIS : no HE2:sc= 1.25 K(o=0.67,f=-9.6!) USER MOD Set 3.2: A 34 GLN : amide:sc= -0.578 K(o=0.67,f=-2.5) USER MOD Set 4.1: A 24 HIS : no HE2:sc= 0.76 K(o=0.95,f=-2.6) USER MOD Set 4.2: A 28 GLN : amide:sc= 0.192 K(o=0.95,f=-0.73) USER MOD Single : A 8 TYR OH : rot 180:sc= 0.128 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -166:sc= 1.71 (180deg=1.4) USER MOD Single : A 12 HIS : no HD1:sc=-0.00892 X(o=-0.0089,f=-0.23) USER MOD Single : A 13 MET CE :methyl -158:sc= 0 (180deg=-0.145) USER MOD Single : A 14 LYS NZ :NH3+ 171:sc= 0.807 (180deg=0.69) USER MOD Single : A 15 LYS NZ :NH3+ 170:sc= -0.0701 (180deg=-0.333) USER MOD Single : A 16 MET CE :methyl -168:sc=-0.00318 (180deg=-0.164) USER MOD Single : A 17 MET CE :methyl -172:sc= 0 (180deg=-0.0866) USER MOD Single : A 18 LYS NZ :NH3+ -124:sc= 1.24 (180deg=-0.631) USER MOD Single : A 29 SER OG : rot -27:sc= 1.28 USER MOD Single : A 38 HIS : no HD1:sc= -0.0231 X(o=-0.023,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 154:sc= 1.19 (180deg=0.622) USER MOD Single : A 41 GLN : amide:sc= 0.32 K(o=0.32,f=-4.9!) USER MOD Single : A 44 HIS : no HE2:sc= 0.117 K(o=0.12,f=-2.9!) USER MOD Single : A 46 THR OG1 : rot -171:sc= 1.29 USER MOD Single : A 51 LYS NZ :NH3+ 166:sc= 0.826 (180deg=0.677) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ -167:sc= 1.23 (180deg=0.93) USER MOD Single : A 67 GLN : amide:sc= 0.731 K(o=0.73,f=0) USER MOD Single : A 70 GLN : amide:sc= 0.0311 X(o=0.031,f=0) USER MOD Single : A 73 LYS NZ :NH3+ -144:sc=-0.00822 (180deg=-0.25) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -1.1 K(o=-1.1,f=-5.3!) USER MOD Single : A 88 TYR OH : rot 17:sc= 0.989 USER MOD Single : A 95 GLN : amide:sc= 0.808 K(o=0.81,f=0) USER MOD Single : A 102 LYS NZ :NH3+ -169:sc= 1.27 (180deg=0.864) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot -19:sc= 1.25 USER MOD Single : A 111 SER OG : rot -80:sc= 0.89 USER MOD Single : A 112 SER OG : rot 70:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 84 N ARG A 7 3.803 30.346 5.888 1.00 0.00 N ATOM 85 CA ARG A 7 2.469 30.362 5.252 1.00 0.00 C ATOM 86 C ARG A 7 2.245 29.114 4.404 1.00 0.00 C ATOM 87 O ARG A 7 1.106 28.795 4.093 1.00 0.00 O ATOM 88 CB ARG A 7 2.275 31.578 4.335 1.00 0.00 C ATOM 89 CG ARG A 7 2.253 32.941 5.019 1.00 0.00 C ATOM 90 CD ARG A 7 2.127 34.035 3.953 1.00 0.00 C ATOM 91 NE ARG A 7 2.236 35.394 4.509 1.00 0.00 N ATOM 92 CZ ARG A 7 2.363 36.506 3.788 1.00 0.00 C ATOM 93 NH1 ARG A 7 2.428 36.492 2.477 1.00 0.00 N ATOM 94 NH2 ARG A 7 2.435 37.656 4.397 1.00 0.00 N ATOM 0 HA ARG A 7 1.754 30.404 6.073 1.00 0.00 H new ATOM 0 HB2 ARG A 7 3.075 31.579 3.594 1.00 0.00 H new ATOM 0 HB3 ARG A 7 1.338 31.452 3.792 1.00 0.00 H new ATOM 0 HG2 ARG A 7 1.418 32.998 5.717 1.00 0.00 H new ATOM 0 HG3 ARG A 7 3.164 33.085 5.600 1.00 0.00 H new ATOM 0 HD2 ARG A 7 2.903 33.893 3.201 1.00 0.00 H new ATOM 0 HD3 ARG A 7 1.168 33.932 3.446 1.00 0.00 H new ATOM 0 HE ARG A 7 2.212 35.491 5.524 1.00 0.00 H new ATOM 0 HH11 ARG A 7 2.381 35.606 1.973 1.00 0.00 H new ATOM 0 HH12 ARG A 7 2.525 37.367 1.962 1.00 0.00 H new ATOM 0 HH21 ARG A 7 2.394 37.697 5.415 1.00 0.00 H new ATOM 0 HH22 ARG A 7 2.532 38.515 3.855 1.00 0.00 H new ATOM 108 N TYR A 8 3.318 28.428 4.032 1.00 0.00 N ATOM 109 CA TYR A 8 3.219 27.204 3.233 1.00 0.00 C ATOM 110 C TYR A 8 3.487 25.921 4.053 1.00 0.00 C ATOM 111 O TYR A 8 3.091 24.811 3.676 1.00 0.00 O ATOM 112 CB TYR A 8 4.306 27.332 2.155 1.00 0.00 C ATOM 113 CG TYR A 8 4.159 26.449 0.940 1.00 0.00 C ATOM 114 CD1 TYR A 8 4.911 25.262 0.808 1.00 0.00 C ATOM 115 CD2 TYR A 8 3.287 26.810 -0.104 1.00 0.00 C ATOM 116 CE1 TYR A 8 4.799 24.457 -0.358 1.00 0.00 C ATOM 117 CE2 TYR A 8 3.174 26.011 -1.267 1.00 0.00 C ATOM 118 CZ TYR A 8 3.932 24.844 -1.380 1.00 0.00 C ATOM 119 OH TYR A 8 3.804 24.074 -2.503 1.00 0.00 O ATOM 0 H TYR A 8 4.273 28.696 4.270 1.00 0.00 H new ATOM 0 HA TYR A 8 2.209 27.109 2.835 1.00 0.00 H new ATOM 0 HB2 TYR A 8 4.334 28.369 1.821 1.00 0.00 H new ATOM 0 HB3 TYR A 8 5.270 27.119 2.616 1.00 0.00 H new ATOM 0 HD1 TYR A 8 5.579 24.962 1.602 1.00 0.00 H new ATOM 0 HD2 TYR A 8 2.696 27.709 -0.017 1.00 0.00 H new ATOM 0 HE1 TYR A 8 5.381 23.552 -0.452 1.00 0.00 H new ATOM 0 HE2 TYR A 8 2.505 26.303 -2.063 1.00 0.00 H new ATOM 0 HH TYR A 8 3.158 24.489 -3.112 1.00 0.00 H new ATOM 129 N SER A 9 4.151 26.061 5.193 1.00 0.00 N ATOM 130 CA SER A 9 4.600 24.882 5.934 1.00 0.00 C ATOM 131 C SER A 9 3.489 24.100 6.599 1.00 0.00 C ATOM 132 O SER A 9 3.548 22.881 6.639 1.00 0.00 O ATOM 133 CB SER A 9 5.640 25.268 6.987 1.00 0.00 C ATOM 134 OG SER A 9 5.085 26.127 7.969 1.00 0.00 O ATOM 0 H SER A 9 4.388 26.956 5.620 1.00 0.00 H new ATOM 0 HA SER A 9 5.038 24.227 5.181 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.028 24.368 7.465 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.484 25.761 6.504 1.00 0.00 H new ATOM 0 HG SER A 9 5.772 26.356 8.630 1.00 0.00 H new ATOM 140 N LYS A 10 2.483 24.788 7.125 1.00 0.00 N ATOM 141 CA LYS A 10 1.385 24.115 7.835 1.00 0.00 C ATOM 142 C LYS A 10 0.756 23.009 7.002 1.00 0.00 C ATOM 143 O LYS A 10 0.735 21.853 7.411 1.00 0.00 O ATOM 144 CB LYS A 10 0.275 25.090 8.300 1.00 0.00 C ATOM 145 CG LYS A 10 0.469 26.593 7.987 1.00 0.00 C ATOM 146 CD LYS A 10 0.264 26.977 6.506 1.00 0.00 C ATOM 147 CE LYS A 10 -1.187 26.893 6.035 1.00 0.00 C ATOM 148 NZ LYS A 10 -1.263 27.199 4.557 1.00 0.00 N ATOM 0 H LYS A 10 2.398 25.803 7.078 1.00 0.00 H new ATOM 0 HA LYS A 10 1.850 23.679 8.719 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.664 24.771 7.849 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.163 24.983 9.379 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.226 27.170 8.597 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.475 26.886 8.288 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.627 27.993 6.352 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.875 26.323 5.884 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.586 25.898 6.231 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.802 27.598 6.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.252 27.375 4.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.692 28.043 4.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.896 26.390 4.016 1.00 0.00 H new ATOM 162 N GLU A 11 0.237 23.353 5.836 1.00 0.00 N ATOM 163 CA GLU A 11 -0.449 22.360 5.027 1.00 0.00 C ATOM 164 C GLU A 11 0.537 21.582 4.163 1.00 0.00 C ATOM 165 O GLU A 11 0.243 20.441 3.819 1.00 0.00 O ATOM 166 CB GLU A 11 -1.560 22.998 4.190 1.00 0.00 C ATOM 167 CG GLU A 11 -2.767 23.440 4.999 1.00 0.00 C ATOM 168 CD GLU A 11 -3.560 22.267 5.530 1.00 0.00 C ATOM 169 OE1 GLU A 11 -3.955 21.405 4.726 1.00 0.00 O ATOM 170 OE2 GLU A 11 -3.787 22.190 6.757 1.00 0.00 O ATOM 0 H GLU A 11 0.275 24.290 5.435 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.924 21.647 5.700 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.153 23.861 3.662 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.885 22.285 3.432 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.436 24.060 5.832 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.412 24.060 4.377 1.00 0.00 H new ATOM 177 N HIS A 12 1.705 22.136 3.823 1.00 0.00 N ATOM 178 CA HIS A 12 2.670 21.320 3.073 1.00 0.00 C ATOM 179 C HIS A 12 3.071 20.128 3.933 1.00 0.00 C ATOM 180 O HIS A 12 3.056 18.997 3.468 1.00 0.00 O ATOM 181 CB HIS A 12 3.919 22.109 2.674 1.00 0.00 C ATOM 182 CG HIS A 12 4.874 21.345 1.808 1.00 0.00 C ATOM 183 ND1 HIS A 12 4.553 20.225 1.075 1.00 0.00 N ATOM 184 CD2 HIS A 12 6.190 21.569 1.545 1.00 0.00 C ATOM 185 CE1 HIS A 12 5.643 19.829 0.422 1.00 0.00 C ATOM 186 NE2 HIS A 12 6.673 20.613 0.676 1.00 0.00 N ATOM 0 H HIS A 12 1.997 23.089 4.038 1.00 0.00 H new ATOM 0 HA HIS A 12 2.191 20.993 2.150 1.00 0.00 H new ATOM 0 HB2 HIS A 12 3.612 23.013 2.148 1.00 0.00 H new ATOM 0 HB3 HIS A 12 4.439 22.427 3.578 1.00 0.00 H new ATOM 0 HD2 HIS A 12 6.773 22.379 1.958 1.00 0.00 H new ATOM 0 HE1 HIS A 12 5.680 18.972 -0.234 1.00 0.00 H new ATOM 0 HE2 HIS A 12 7.621 20.530 0.309 1.00 0.00 H new ATOM 194 N MET A 13 3.415 20.372 5.189 1.00 0.00 N ATOM 195 CA MET A 13 3.836 19.287 6.071 1.00 0.00 C ATOM 196 C MET A 13 2.670 18.397 6.461 1.00 0.00 C ATOM 197 O MET A 13 2.850 17.194 6.598 1.00 0.00 O ATOM 198 CB MET A 13 4.524 19.826 7.324 1.00 0.00 C ATOM 199 CG MET A 13 5.854 20.529 7.037 1.00 0.00 C ATOM 200 SD MET A 13 7.115 19.394 6.382 1.00 0.00 S ATOM 201 CE MET A 13 7.089 19.761 4.589 1.00 0.00 C ATOM 0 H MET A 13 3.412 21.297 5.618 1.00 0.00 H new ATOM 0 HA MET A 13 4.552 18.685 5.512 1.00 0.00 H new ATOM 0 HB2 MET A 13 3.854 20.525 7.825 1.00 0.00 H new ATOM 0 HB3 MET A 13 4.700 19.002 8.015 1.00 0.00 H new ATOM 0 HG2 MET A 13 5.688 21.335 6.322 1.00 0.00 H new ATOM 0 HG3 MET A 13 6.224 20.988 7.954 1.00 0.00 H new ATOM 0 HE1 MET A 13 7.494 18.912 4.038 1.00 0.00 H new ATOM 0 HE2 MET A 13 6.063 19.945 4.270 1.00 0.00 H new ATOM 0 HE3 MET A 13 7.695 20.645 4.390 1.00 0.00 H new ATOM 211 N LYS A 14 1.474 18.954 6.630 1.00 0.00 N ATOM 212 CA LYS A 14 0.322 18.111 6.964 1.00 0.00 C ATOM 213 C LYS A 14 0.075 17.122 5.832 1.00 0.00 C ATOM 214 O LYS A 14 -0.131 15.938 6.074 1.00 0.00 O ATOM 215 CB LYS A 14 -0.939 18.940 7.216 1.00 0.00 C ATOM 216 CG LYS A 14 -2.057 18.127 7.880 1.00 0.00 C ATOM 217 CD LYS A 14 -3.352 18.915 7.978 1.00 0.00 C ATOM 218 CE LYS A 14 -4.136 18.852 6.670 1.00 0.00 C ATOM 219 NZ LYS A 14 -5.292 19.801 6.697 1.00 0.00 N ATOM 0 H LYS A 14 1.276 19.951 6.546 1.00 0.00 H new ATOM 0 HA LYS A 14 0.551 17.576 7.886 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.689 19.791 7.849 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.300 19.342 6.269 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.230 17.215 7.309 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.741 17.823 8.878 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.962 18.519 8.790 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.131 19.954 8.223 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.479 19.096 5.835 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.497 17.837 6.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.719 19.855 5.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.002 19.464 7.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.960 20.745 6.981 1.00 0.00 H new ATOM 233 N LYS A 15 0.113 17.602 4.595 1.00 0.00 N ATOM 234 CA LYS A 15 -0.066 16.720 3.442 1.00 0.00 C ATOM 235 C LYS A 15 1.086 15.725 3.363 1.00 0.00 C ATOM 236 O LYS A 15 0.859 14.545 3.168 1.00 0.00 O ATOM 237 CB LYS A 15 -0.176 17.525 2.141 1.00 0.00 C ATOM 238 CG LYS A 15 -0.179 16.624 0.925 1.00 0.00 C ATOM 239 CD LYS A 15 -0.724 17.271 -0.329 1.00 0.00 C ATOM 240 CE LYS A 15 -0.486 16.349 -1.529 1.00 0.00 C ATOM 241 NZ LYS A 15 -1.073 14.979 -1.307 1.00 0.00 N ATOM 0 H LYS A 15 0.264 18.584 4.363 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.999 16.171 3.571 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.090 18.119 2.156 1.00 0.00 H new ATOM 0 HB3 LYS A 15 0.657 18.224 2.074 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.840 16.289 0.733 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.770 15.735 1.147 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.790 17.468 -0.215 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.238 18.233 -0.495 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.927 16.793 -2.422 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.585 16.260 -1.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.043 14.440 -2.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.522 14.479 -0.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.060 15.071 -0.991 1.00 0.00 H new ATOM 255 N MET A 16 2.311 16.201 3.538 1.00 0.00 N ATOM 256 CA MET A 16 3.497 15.339 3.497 1.00 0.00 C ATOM 257 C MET A 16 3.351 14.182 4.490 1.00 0.00 C ATOM 258 O MET A 16 3.585 13.021 4.148 1.00 0.00 O ATOM 259 CB MET A 16 4.741 16.187 3.817 1.00 0.00 C ATOM 260 CG MET A 16 6.089 15.561 3.480 1.00 0.00 C ATOM 261 SD MET A 16 6.614 14.198 4.555 1.00 0.00 S ATOM 262 CE MET A 16 6.896 15.048 6.130 1.00 0.00 C ATOM 0 H MET A 16 2.516 17.185 3.711 1.00 0.00 H new ATOM 0 HA MET A 16 3.605 14.908 2.502 1.00 0.00 H new ATOM 0 HB2 MET A 16 4.659 17.132 3.280 1.00 0.00 H new ATOM 0 HB3 MET A 16 4.730 16.423 4.881 1.00 0.00 H new ATOM 0 HG2 MET A 16 6.053 15.196 2.453 1.00 0.00 H new ATOM 0 HG3 MET A 16 6.850 16.341 3.515 1.00 0.00 H new ATOM 0 HE1 MET A 16 7.420 14.381 6.815 1.00 0.00 H new ATOM 0 HE2 MET A 16 7.499 15.940 5.959 1.00 0.00 H new ATOM 0 HE3 MET A 16 5.939 15.335 6.565 1.00 0.00 H new ATOM 272 N MET A 17 2.943 14.493 5.714 1.00 0.00 N ATOM 273 CA MET A 17 2.757 13.462 6.732 1.00 0.00 C ATOM 274 C MET A 17 1.628 12.517 6.346 1.00 0.00 C ATOM 275 O MET A 17 1.757 11.317 6.509 1.00 0.00 O ATOM 276 CB MET A 17 2.447 14.085 8.095 1.00 0.00 C ATOM 277 CG MET A 17 3.648 14.758 8.757 1.00 0.00 C ATOM 278 SD MET A 17 5.025 13.615 9.067 1.00 0.00 S ATOM 279 CE MET A 17 4.340 12.515 10.339 1.00 0.00 C ATOM 0 H MET A 17 2.736 15.442 6.026 1.00 0.00 H new ATOM 0 HA MET A 17 3.689 12.901 6.800 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.652 14.821 7.975 1.00 0.00 H new ATOM 0 HB3 MET A 17 2.066 13.310 8.759 1.00 0.00 H new ATOM 0 HG2 MET A 17 3.996 15.573 8.122 1.00 0.00 H new ATOM 0 HG3 MET A 17 3.333 15.202 9.701 1.00 0.00 H new ATOM 0 HE1 MET A 17 5.126 11.862 10.717 1.00 0.00 H new ATOM 0 HE2 MET A 17 3.939 13.112 11.158 1.00 0.00 H new ATOM 0 HE3 MET A 17 3.543 11.910 9.906 1.00 0.00 H new ATOM 289 N LYS A 18 0.531 13.052 5.826 1.00 0.00 N ATOM 290 CA LYS A 18 -0.602 12.220 5.400 1.00 0.00 C ATOM 291 C LYS A 18 -0.178 11.301 4.255 1.00 0.00 C ATOM 292 O LYS A 18 -0.553 10.135 4.211 1.00 0.00 O ATOM 293 CB LYS A 18 -1.769 13.120 4.956 1.00 0.00 C ATOM 294 CG LYS A 18 -3.075 12.366 4.638 1.00 0.00 C ATOM 295 CD LYS A 18 -3.634 12.724 3.249 1.00 0.00 C ATOM 296 CE LYS A 18 -2.772 12.130 2.137 1.00 0.00 C ATOM 297 NZ LYS A 18 -3.266 12.429 0.752 1.00 0.00 N ATOM 0 H LYS A 18 0.396 14.053 5.687 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.928 11.604 6.238 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.968 13.849 5.742 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.463 13.679 4.072 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.893 11.292 4.688 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.821 12.599 5.398 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.655 12.353 3.158 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.677 13.808 3.140 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.755 12.510 2.238 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.723 11.049 2.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.409 11.538 0.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.167 12.945 0.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.564 13.011 0.251 1.00 0.00 H new ATOM 311 N ASP A 19 0.611 11.826 3.332 1.00 0.00 N ATOM 312 CA ASP A 19 1.073 11.041 2.189 1.00 0.00 C ATOM 313 C ASP A 19 2.022 9.944 2.644 1.00 0.00 C ATOM 314 O ASP A 19 1.981 8.838 2.128 1.00 0.00 O ATOM 315 CB ASP A 19 1.778 11.933 1.162 1.00 0.00 C ATOM 316 CG ASP A 19 0.819 12.870 0.449 1.00 0.00 C ATOM 317 OD1 ASP A 19 -0.365 12.513 0.272 1.00 0.00 O ATOM 318 OD2 ASP A 19 1.240 13.966 0.050 1.00 0.00 O ATOM 0 H ASP A 19 0.947 12.789 3.348 1.00 0.00 H new ATOM 0 HA ASP A 19 0.199 10.588 1.721 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.548 12.519 1.663 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.282 11.306 0.427 1.00 0.00 H new ATOM 323 N LEU A 20 2.877 10.223 3.617 1.00 0.00 N ATOM 324 CA LEU A 20 3.797 9.190 4.095 1.00 0.00 C ATOM 325 C LEU A 20 3.123 8.204 5.034 1.00 0.00 C ATOM 326 O LEU A 20 3.523 7.043 5.103 1.00 0.00 O ATOM 327 CB LEU A 20 5.041 9.817 4.725 1.00 0.00 C ATOM 328 CG LEU A 20 6.345 9.551 3.940 1.00 0.00 C ATOM 329 CD1 LEU A 20 6.826 8.117 4.155 1.00 0.00 C ATOM 330 CD2 LEU A 20 6.178 9.816 2.423 1.00 0.00 C ATOM 0 H LEU A 20 2.957 11.127 4.083 1.00 0.00 H new ATOM 0 HA LEU A 20 4.116 8.614 3.227 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.891 10.894 4.806 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.155 9.434 5.739 1.00 0.00 H new ATOM 0 HG LEU A 20 7.090 10.247 4.326 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.745 7.953 3.593 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.015 7.952 5.216 1.00 0.00 H new ATOM 0 HD13 LEU A 20 6.061 7.421 3.810 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.120 9.616 1.913 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.403 9.163 2.023 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.894 10.856 2.265 1.00 0.00 H new ATOM 342 N GLU A 21 2.083 8.640 5.726 1.00 0.00 N ATOM 343 CA GLU A 21 1.271 7.730 6.526 1.00 0.00 C ATOM 344 C GLU A 21 0.628 6.764 5.537 1.00 0.00 C ATOM 345 O GLU A 21 0.561 5.562 5.772 1.00 0.00 O ATOM 346 CB GLU A 21 0.188 8.499 7.290 1.00 0.00 C ATOM 347 CG GLU A 21 -0.665 7.630 8.192 1.00 0.00 C ATOM 348 CD GLU A 21 -1.936 8.336 8.619 1.00 0.00 C ATOM 349 OE1 GLU A 21 -1.859 9.375 9.300 1.00 0.00 O ATOM 350 OE2 GLU A 21 -3.028 7.841 8.253 1.00 0.00 O ATOM 0 H GLU A 21 1.780 9.614 5.752 1.00 0.00 H new ATOM 0 HA GLU A 21 1.877 7.208 7.267 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.663 9.273 7.892 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.458 9.005 6.573 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.920 6.707 7.672 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.091 7.350 9.075 1.00 0.00 H new ATOM 357 N GLY A 22 0.177 7.300 4.411 1.00 0.00 N ATOM 358 CA GLY A 22 -0.401 6.479 3.365 1.00 0.00 C ATOM 359 C GLY A 22 0.633 5.559 2.748 1.00 0.00 C ATOM 360 O GLY A 22 0.327 4.421 2.420 1.00 0.00 O ATOM 0 H GLY A 22 0.202 8.298 4.202 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.218 5.886 3.776 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.828 7.119 2.593 1.00 0.00 H new ATOM 364 N LEU A 23 1.862 6.031 2.596 1.00 0.00 N ATOM 365 CA LEU A 23 2.934 5.209 2.034 1.00 0.00 C ATOM 366 C LEU A 23 3.197 4.012 2.957 1.00 0.00 C ATOM 367 O LEU A 23 3.327 2.879 2.502 1.00 0.00 O ATOM 368 CB LEU A 23 4.203 6.038 1.843 1.00 0.00 C ATOM 369 CG LEU A 23 5.105 5.627 0.665 1.00 0.00 C ATOM 370 CD1 LEU A 23 6.188 6.668 0.499 1.00 0.00 C ATOM 371 CD2 LEU A 23 5.765 4.256 0.846 1.00 0.00 C ATOM 0 H LEU A 23 2.145 6.977 2.852 1.00 0.00 H new ATOM 0 HA LEU A 23 2.628 4.840 1.055 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.915 7.081 1.708 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.790 5.985 2.760 1.00 0.00 H new ATOM 0 HG LEU A 23 4.466 5.558 -0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.835 6.390 -0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.733 7.637 0.296 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.778 6.728 1.414 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.385 4.033 -0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.386 4.266 1.742 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.994 3.492 0.947 1.00 0.00 H new ATOM 383 N HIS A 24 3.261 4.248 4.259 1.00 0.00 N ATOM 384 CA HIS A 24 3.466 3.146 5.197 1.00 0.00 C ATOM 385 C HIS A 24 2.217 2.268 5.252 1.00 0.00 C ATOM 386 O HIS A 24 2.315 1.066 5.407 1.00 0.00 O ATOM 387 CB HIS A 24 3.830 3.656 6.588 1.00 0.00 C ATOM 388 CG HIS A 24 4.133 2.558 7.563 1.00 0.00 C ATOM 389 ND1 HIS A 24 5.095 1.587 7.381 1.00 0.00 N ATOM 390 CD2 HIS A 24 3.559 2.260 8.761 1.00 0.00 C ATOM 391 CE1 HIS A 24 5.078 0.784 8.436 1.00 0.00 C ATOM 392 NE2 HIS A 24 4.159 1.145 9.310 1.00 0.00 N ATOM 0 H HIS A 24 3.177 5.170 4.687 1.00 0.00 H new ATOM 0 HA HIS A 24 4.304 2.547 4.840 1.00 0.00 H new ATOM 0 HB2 HIS A 24 4.696 4.313 6.511 1.00 0.00 H new ATOM 0 HB3 HIS A 24 3.007 4.258 6.974 1.00 0.00 H new ATOM 0 HD1 HIS A 24 5.713 1.501 6.574 1.00 0.00 H new ATOM 0 HD2 HIS A 24 2.752 2.815 9.215 1.00 0.00 H new ATOM 0 HE1 HIS A 24 5.736 -0.062 8.564 1.00 0.00 H new ATOM 400 N ARG A 25 1.038 2.852 5.091 1.00 0.00 N ATOM 401 CA ARG A 25 -0.193 2.058 5.007 1.00 0.00 C ATOM 402 C ARG A 25 -0.124 1.150 3.776 1.00 0.00 C ATOM 403 O ARG A 25 -0.601 0.027 3.807 1.00 0.00 O ATOM 404 CB ARG A 25 -1.421 2.975 4.958 1.00 0.00 C ATOM 405 CG ARG A 25 -2.750 2.232 4.951 1.00 0.00 C ATOM 406 CD ARG A 25 -3.939 3.189 5.069 1.00 0.00 C ATOM 407 NE ARG A 25 -4.115 3.683 6.449 1.00 0.00 N ATOM 408 CZ ARG A 25 -3.831 4.910 6.881 1.00 0.00 C ATOM 409 NH1 ARG A 25 -3.350 5.848 6.109 1.00 0.00 N ATOM 410 NH2 ARG A 25 -4.046 5.206 8.129 1.00 0.00 N ATOM 0 H ARG A 25 0.901 3.860 5.016 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.288 1.434 5.896 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.396 3.645 5.817 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.361 3.598 4.066 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.838 1.655 4.031 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.773 1.521 5.777 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.792 4.035 4.397 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.848 2.680 4.747 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.488 3.025 7.133 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.174 5.657 5.123 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.150 6.772 6.493 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.427 4.502 8.762 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.834 6.142 8.475 1.00 0.00 H new ATOM 424 N ALA A 26 0.495 1.619 2.701 1.00 0.00 N ATOM 425 CA ALA A 26 0.696 0.784 1.520 1.00 0.00 C ATOM 426 C ALA A 26 1.719 -0.323 1.834 1.00 0.00 C ATOM 427 O ALA A 26 1.610 -1.423 1.318 1.00 0.00 O ATOM 428 CB ALA A 26 1.151 1.635 0.323 1.00 0.00 C ATOM 0 H ALA A 26 0.865 2.566 2.620 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.251 0.316 1.250 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.295 0.993 -0.546 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.391 2.384 0.099 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.090 2.132 0.566 1.00 0.00 H new ATOM 434 N GLU A 27 2.696 -0.050 2.691 1.00 0.00 N ATOM 435 CA GLU A 27 3.650 -1.089 3.111 1.00 0.00 C ATOM 436 C GLU A 27 2.894 -2.175 3.905 1.00 0.00 C ATOM 437 O GLU A 27 3.069 -3.413 3.733 1.00 0.00 O ATOM 438 CB GLU A 27 4.762 -0.501 3.974 1.00 0.00 C ATOM 439 CG GLU A 27 5.957 -1.420 4.072 1.00 0.00 C ATOM 440 CD GLU A 27 6.735 -1.229 5.351 1.00 0.00 C ATOM 441 OE1 GLU A 27 7.279 -2.244 5.850 1.00 0.00 O ATOM 442 OE2 GLU A 27 6.801 -0.086 5.868 1.00 0.00 O ATOM 0 H GLU A 27 2.854 0.867 3.108 1.00 0.00 H new ATOM 0 HA GLU A 27 4.108 -1.523 2.222 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.075 0.456 3.557 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.376 -0.302 4.974 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.621 -2.455 4.007 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.616 -1.245 3.221 1.00 0.00 H new ATOM 449 N GLN A 28 2.019 -1.697 4.772 1.00 0.00 N ATOM 450 CA GLN A 28 1.178 -2.581 5.542 1.00 0.00 C ATOM 451 C GLN A 28 0.276 -3.346 4.592 1.00 0.00 C ATOM 452 O GLN A 28 -0.048 -4.459 4.877 1.00 0.00 O ATOM 453 CB GLN A 28 0.358 -1.823 6.592 1.00 0.00 C ATOM 454 CG GLN A 28 1.201 -1.193 7.718 1.00 0.00 C ATOM 455 CD GLN A 28 1.983 -2.218 8.531 1.00 0.00 C ATOM 456 OE1 GLN A 28 1.658 -3.390 8.564 1.00 0.00 O ATOM 457 NE2 GLN A 28 3.017 -1.769 9.187 1.00 0.00 N ATOM 0 H GLN A 28 1.876 -0.704 4.956 1.00 0.00 H new ATOM 0 HA GLN A 28 1.810 -3.278 6.091 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -0.210 -1.036 6.095 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.366 -2.507 7.035 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.898 -0.476 7.283 1.00 0.00 H new ATOM 0 HG3 GLN A 28 0.544 -0.635 8.385 1.00 0.00 H new ATOM 0 HE21 GLN A 28 3.262 -0.780 9.138 1.00 0.00 H new ATOM 0 HE22 GLN A 28 3.581 -2.407 9.749 1.00 0.00 H new ATOM 466 N SER A 29 -0.111 -2.783 3.452 1.00 0.00 N ATOM 467 CA SER A 29 -0.909 -3.550 2.488 1.00 0.00 C ATOM 468 C SER A 29 -0.066 -4.666 1.854 1.00 0.00 C ATOM 469 O SER A 29 -0.591 -5.732 1.585 1.00 0.00 O ATOM 470 CB SER A 29 -1.551 -2.662 1.414 1.00 0.00 C ATOM 471 OG SER A 29 -0.640 -2.289 0.395 1.00 0.00 O ATOM 0 H SER A 29 0.105 -1.826 3.173 1.00 0.00 H new ATOM 0 HA SER A 29 -1.729 -4.006 3.043 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.393 -3.191 0.967 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.952 -1.764 1.884 1.00 0.00 H new ATOM 0 HG SER A 29 0.272 -2.292 0.754 1.00 0.00 H new ATOM 477 N LEU A 30 1.238 -4.442 1.654 1.00 0.00 N ATOM 478 CA LEU A 30 2.140 -5.512 1.175 1.00 0.00 C ATOM 479 C LEU A 30 2.033 -6.590 2.246 1.00 0.00 C ATOM 480 O LEU A 30 1.789 -7.759 1.971 1.00 0.00 O ATOM 481 CB LEU A 30 3.628 -5.083 1.105 1.00 0.00 C ATOM 482 CG LEU A 30 4.048 -3.700 0.600 1.00 0.00 C ATOM 483 CD1 LEU A 30 5.550 -3.521 0.870 1.00 0.00 C ATOM 484 CD2 LEU A 30 3.751 -3.404 -0.839 1.00 0.00 C ATOM 0 H LEU A 30 1.694 -3.543 1.812 1.00 0.00 H new ATOM 0 HA LEU A 30 1.853 -5.812 0.167 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.033 -5.187 2.111 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.138 -5.815 0.479 1.00 0.00 H new ATOM 0 HG LEU A 30 3.436 -2.986 1.151 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.869 -2.540 0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.739 -3.600 1.941 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.109 -4.295 0.344 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.093 -2.398 -1.082 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.267 -4.125 -1.473 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.677 -3.473 -1.011 1.00 0.00 H new ATOM 496 N HIS A 31 2.231 -6.196 3.495 1.00 0.00 N ATOM 497 CA HIS A 31 2.281 -7.215 4.551 1.00 0.00 C ATOM 498 C HIS A 31 0.942 -7.846 4.932 1.00 0.00 C ATOM 499 O HIS A 31 0.906 -8.993 5.366 1.00 0.00 O ATOM 500 CB HIS A 31 3.022 -6.657 5.742 1.00 0.00 C ATOM 501 CG HIS A 31 4.373 -6.128 5.375 1.00 0.00 C ATOM 502 ND1 HIS A 31 5.180 -6.689 4.365 1.00 0.00 N ATOM 503 CD2 HIS A 31 5.078 -5.061 5.832 1.00 0.00 C ATOM 504 CE1 HIS A 31 6.296 -5.968 4.277 1.00 0.00 C ATOM 505 NE2 HIS A 31 6.248 -4.986 5.146 1.00 0.00 N ATOM 0 H HIS A 31 2.355 -5.231 3.800 1.00 0.00 H new ATOM 0 HA HIS A 31 2.827 -8.062 4.136 1.00 0.00 H new ATOM 0 HB2 HIS A 31 2.432 -5.859 6.192 1.00 0.00 H new ATOM 0 HB3 HIS A 31 3.132 -7.436 6.496 1.00 0.00 H new ATOM 0 HD1 HIS A 31 4.949 -7.506 3.799 1.00 0.00 H new ATOM 0 HD2 HIS A 31 4.761 -4.384 6.612 1.00 0.00 H new ATOM 0 HE1 HIS A 31 7.113 -6.161 3.597 1.00 0.00 H new ATOM 513 N ASP A 32 -0.143 -7.121 4.736 1.00 0.00 N ATOM 514 CA ASP A 32 -1.490 -7.643 4.943 1.00 0.00 C ATOM 515 C ASP A 32 -1.707 -8.717 3.894 1.00 0.00 C ATOM 516 O ASP A 32 -2.254 -9.774 4.178 1.00 0.00 O ATOM 517 CB ASP A 32 -2.524 -6.524 4.770 1.00 0.00 C ATOM 518 CG ASP A 32 -3.926 -6.967 5.118 1.00 0.00 C ATOM 519 OD1 ASP A 32 -4.157 -7.357 6.277 1.00 0.00 O ATOM 520 OD2 ASP A 32 -4.810 -6.917 4.234 1.00 0.00 O ATOM 0 H ASP A 32 -0.120 -6.149 4.427 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.602 -8.047 5.949 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.247 -5.679 5.400 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.504 -6.173 3.738 1.00 0.00 H new ATOM 525 N LEU A 33 -1.241 -8.446 2.680 1.00 0.00 N ATOM 526 CA LEU A 33 -1.310 -9.424 1.603 1.00 0.00 C ATOM 527 C LEU A 33 -0.500 -10.644 1.987 1.00 0.00 C ATOM 528 O LEU A 33 -0.997 -11.755 1.887 1.00 0.00 O ATOM 529 CB LEU A 33 -0.794 -8.834 0.289 1.00 0.00 C ATOM 530 CG LEU A 33 -1.857 -8.136 -0.557 1.00 0.00 C ATOM 531 CD1 LEU A 33 -1.230 -7.044 -1.438 1.00 0.00 C ATOM 532 CD2 LEU A 33 -2.583 -9.152 -1.424 1.00 0.00 C ATOM 0 H LEU A 33 -0.812 -7.558 2.418 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.351 -9.708 1.451 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.001 -8.120 0.513 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.346 -9.633 -0.301 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.572 -7.663 0.116 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.008 -6.563 -2.030 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.744 -6.301 -0.806 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.493 -7.492 -2.104 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.339 -8.645 -2.023 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.868 -9.645 -2.083 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.063 -9.896 -0.788 1.00 0.00 H new ATOM 544 N GLN A 34 0.732 -10.451 2.444 1.00 0.00 N ATOM 545 CA GLN A 34 1.548 -11.595 2.879 1.00 0.00 C ATOM 546 C GLN A 34 0.818 -12.442 3.934 1.00 0.00 C ATOM 547 O GLN A 34 0.588 -13.653 3.743 1.00 0.00 O ATOM 548 CB GLN A 34 2.883 -11.138 3.494 1.00 0.00 C ATOM 549 CG GLN A 34 4.030 -10.979 2.508 1.00 0.00 C ATOM 550 CD GLN A 34 4.090 -9.606 1.886 1.00 0.00 C ATOM 551 OE1 GLN A 34 4.610 -8.630 2.495 1.00 0.00 O ATOM 552 NE2 GLN A 34 3.581 -9.502 0.678 1.00 0.00 N ATOM 0 H GLN A 34 1.185 -9.541 2.525 1.00 0.00 H new ATOM 0 HA GLN A 34 1.732 -12.189 1.983 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.725 -10.185 3.999 1.00 0.00 H new ATOM 0 HB3 GLN A 34 3.178 -11.858 4.257 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.971 -11.181 3.019 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.929 -11.725 1.719 1.00 0.00 H new ATOM 0 HE21 GLN A 34 3.171 -10.319 0.225 1.00 0.00 H new ATOM 0 HE22 GLN A 34 3.596 -8.604 0.194 1.00 0.00 H new ATOM 561 N GLU A 35 0.473 -11.815 5.051 1.00 0.00 N ATOM 562 CA GLU A 35 -0.103 -12.542 6.178 1.00 0.00 C ATOM 563 C GLU A 35 -1.433 -13.186 5.840 1.00 0.00 C ATOM 564 O GLU A 35 -1.648 -14.346 6.155 1.00 0.00 O ATOM 565 CB GLU A 35 -0.279 -11.629 7.398 1.00 0.00 C ATOM 566 CG GLU A 35 -0.642 -12.417 8.664 1.00 0.00 C ATOM 567 CD GLU A 35 -0.942 -11.533 9.862 1.00 0.00 C ATOM 568 OE1 GLU A 35 -2.045 -11.691 10.445 1.00 0.00 O ATOM 569 OE2 GLU A 35 -0.092 -10.704 10.238 1.00 0.00 O ATOM 0 H GLU A 35 0.580 -10.812 5.202 1.00 0.00 H new ATOM 0 HA GLU A 35 0.606 -13.335 6.415 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.643 -11.073 7.570 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.059 -10.896 7.192 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.511 -13.042 8.457 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.181 -13.087 8.914 1.00 0.00 H new ATOM 576 N ARG A 36 -2.338 -12.465 5.198 1.00 0.00 N ATOM 577 CA ARG A 36 -3.649 -13.039 4.899 1.00 0.00 C ATOM 578 C ARG A 36 -3.578 -14.080 3.798 1.00 0.00 C ATOM 579 O ARG A 36 -4.441 -14.925 3.733 1.00 0.00 O ATOM 580 CB ARG A 36 -4.660 -11.947 4.566 1.00 0.00 C ATOM 581 CG ARG A 36 -5.058 -11.127 5.790 1.00 0.00 C ATOM 582 CD ARG A 36 -5.804 -9.869 5.403 1.00 0.00 C ATOM 583 NE ARG A 36 -7.118 -10.116 4.785 1.00 0.00 N ATOM 584 CZ ARG A 36 -7.888 -9.175 4.245 1.00 0.00 C ATOM 585 NH1 ARG A 36 -7.527 -7.917 4.189 1.00 0.00 N ATOM 586 NH2 ARG A 36 -9.049 -9.508 3.751 1.00 0.00 N ATOM 0 H ARG A 36 -2.200 -11.506 4.879 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.990 -13.552 5.798 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.239 -11.284 3.810 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.551 -12.401 4.131 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.683 -11.733 6.446 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.165 -10.861 6.356 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.942 -9.253 6.292 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.190 -9.294 4.709 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.462 -11.076 4.770 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.625 -7.628 4.568 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.148 -7.227 3.766 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.356 -10.480 3.782 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.649 -8.796 3.334 1.00 0.00 H new ATOM 600 N LEU A 37 -2.557 -14.055 2.952 1.00 0.00 N ATOM 601 CA LEU A 37 -2.378 -15.121 1.954 1.00 0.00 C ATOM 602 C LEU A 37 -1.791 -16.344 2.663 1.00 0.00 C ATOM 603 O LEU A 37 -2.242 -17.516 2.471 1.00 0.00 O ATOM 604 CB LEU A 37 -1.426 -14.656 0.848 1.00 0.00 C ATOM 605 CG LEU A 37 -1.242 -15.600 -0.345 1.00 0.00 C ATOM 606 CD1 LEU A 37 -2.542 -15.722 -1.132 1.00 0.00 C ATOM 607 CD2 LEU A 37 -0.138 -15.058 -1.242 1.00 0.00 C ATOM 0 H LEU A 37 -1.846 -13.324 2.929 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.337 -15.370 1.499 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.784 -13.698 0.471 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.448 -14.477 1.294 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.967 -16.590 0.018 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.395 -16.396 -1.976 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.324 -16.118 -0.484 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.838 -14.740 -1.500 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.001 -15.724 -2.094 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.413 -14.065 -1.599 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.792 -14.995 -0.677 1.00 0.00 H new ATOM 619 N HIS A 38 -0.798 -16.072 3.510 1.00 0.00 N ATOM 620 CA HIS A 38 -0.187 -17.133 4.299 1.00 0.00 C ATOM 621 C HIS A 38 -1.281 -17.808 5.097 1.00 0.00 C ATOM 622 O HIS A 38 -1.330 -19.013 5.141 1.00 0.00 O ATOM 623 CB HIS A 38 0.898 -16.594 5.229 1.00 0.00 C ATOM 624 CG HIS A 38 2.274 -16.682 4.651 1.00 0.00 C ATOM 625 ND1 HIS A 38 3.113 -17.754 4.820 1.00 0.00 N ATOM 626 CD2 HIS A 38 2.970 -15.807 3.874 1.00 0.00 C ATOM 627 CE1 HIS A 38 4.242 -17.506 4.165 1.00 0.00 C ATOM 628 NE2 HIS A 38 4.211 -16.332 3.566 1.00 0.00 N ATOM 0 H HIS A 38 -0.408 -15.142 3.664 1.00 0.00 H new ATOM 0 HA HIS A 38 0.298 -17.846 3.632 1.00 0.00 H new ATOM 0 HB2 HIS A 38 0.678 -15.553 5.467 1.00 0.00 H new ATOM 0 HB3 HIS A 38 0.870 -17.148 6.167 1.00 0.00 H new ATOM 0 HD2 HIS A 38 2.606 -14.844 3.547 1.00 0.00 H new ATOM 0 HE1 HIS A 38 5.082 -18.183 4.128 1.00 0.00 H new ATOM 0 HE2 HIS A 38 4.943 -15.904 2.999 1.00 0.00 H new ATOM 636 N LYS A 39 -2.174 -17.033 5.695 1.00 0.00 N ATOM 637 CA LYS A 39 -3.311 -17.589 6.427 1.00 0.00 C ATOM 638 C LYS A 39 -4.363 -18.181 5.505 1.00 0.00 C ATOM 639 O LYS A 39 -5.009 -19.144 5.875 1.00 0.00 O ATOM 640 CB LYS A 39 -3.946 -16.520 7.306 1.00 0.00 C ATOM 641 CG LYS A 39 -3.103 -16.210 8.525 1.00 0.00 C ATOM 642 CD LYS A 39 -3.735 -15.134 9.372 1.00 0.00 C ATOM 643 CE LYS A 39 -2.955 -14.974 10.660 1.00 0.00 C ATOM 644 NZ LYS A 39 -3.506 -13.862 11.481 1.00 0.00 N ATOM 0 H LYS A 39 -2.136 -16.014 5.690 1.00 0.00 H new ATOM 0 HA LYS A 39 -2.923 -18.398 7.046 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.088 -15.610 6.723 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.934 -16.853 7.624 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.974 -17.114 9.120 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.109 -15.891 8.211 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.751 -14.191 8.826 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.771 -15.393 9.593 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.990 -15.903 11.229 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.907 -14.779 10.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.289 -14.031 12.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.077 -12.963 11.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.537 -13.814 11.353 1.00 0.00 H new ATOM 658 N ALA A 40 -4.540 -17.641 4.309 1.00 0.00 N ATOM 659 CA ALA A 40 -5.481 -18.226 3.356 1.00 0.00 C ATOM 660 C ALA A 40 -4.997 -19.646 3.091 1.00 0.00 C ATOM 661 O ALA A 40 -5.795 -20.599 3.002 1.00 0.00 O ATOM 662 CB ALA A 40 -5.559 -17.418 2.052 1.00 0.00 C ATOM 0 H ALA A 40 -4.053 -16.809 3.975 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.491 -18.220 3.767 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.270 -17.890 1.374 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.887 -16.402 2.273 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.575 -17.388 1.583 1.00 0.00 H new ATOM 668 N GLN A 41 -3.689 -19.838 2.997 1.00 0.00 N ATOM 669 CA GLN A 41 -3.284 -21.230 2.892 1.00 0.00 C ATOM 670 C GLN A 41 -3.300 -21.930 4.275 1.00 0.00 C ATOM 671 O GLN A 41 -4.107 -22.821 4.523 1.00 0.00 O ATOM 672 CB GLN A 41 -1.867 -21.302 2.318 1.00 0.00 C ATOM 673 CG GLN A 41 -1.731 -20.695 0.932 1.00 0.00 C ATOM 674 CD GLN A 41 -0.321 -20.813 0.413 1.00 0.00 C ATOM 675 OE1 GLN A 41 0.043 -21.791 -0.233 1.00 0.00 O ATOM 676 NE2 GLN A 41 0.487 -19.824 0.697 1.00 0.00 N ATOM 0 H GLN A 41 -2.956 -19.129 2.991 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.991 -21.740 2.238 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.185 -20.790 2.996 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.554 -22.345 2.279 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.415 -21.195 0.246 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -2.022 -19.645 0.963 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.148 -19.027 1.236 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.456 -19.850 0.379 1.00 0.00 H new ATOM 685 N GLU A 42 -2.456 -21.481 5.190 1.00 0.00 N ATOM 686 CA GLU A 42 -2.180 -22.211 6.433 1.00 0.00 C ATOM 687 C GLU A 42 -3.402 -22.470 7.294 1.00 0.00 C ATOM 688 O GLU A 42 -3.551 -23.546 7.868 1.00 0.00 O ATOM 689 CB GLU A 42 -1.103 -21.454 7.223 1.00 0.00 C ATOM 690 CG GLU A 42 -0.355 -22.299 8.245 1.00 0.00 C ATOM 691 CD GLU A 42 0.895 -21.593 8.773 1.00 0.00 C ATOM 692 OE1 GLU A 42 1.726 -21.143 7.945 1.00 0.00 O ATOM 693 OE2 GLU A 42 1.056 -21.496 10.009 1.00 0.00 O ATOM 0 H GLU A 42 -1.941 -20.605 5.100 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.827 -23.202 6.149 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.383 -21.035 6.520 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.571 -20.615 7.738 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.019 -22.531 9.078 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.070 -23.248 7.791 1.00 0.00 H new ATOM 700 N GLU A 43 -4.280 -21.490 7.376 1.00 0.00 N ATOM 701 CA GLU A 43 -5.512 -21.643 8.125 1.00 0.00 C ATOM 702 C GLU A 43 -6.666 -22.055 7.204 1.00 0.00 C ATOM 703 O GLU A 43 -7.492 -22.886 7.575 1.00 0.00 O ATOM 704 CB GLU A 43 -5.880 -20.322 8.825 1.00 0.00 C ATOM 705 CG GLU A 43 -4.823 -19.782 9.796 1.00 0.00 C ATOM 706 CD GLU A 43 -5.199 -18.404 10.364 1.00 0.00 C ATOM 707 OE1 GLU A 43 -6.134 -17.762 9.832 1.00 0.00 O ATOM 708 OE2 GLU A 43 -4.545 -17.954 11.335 1.00 0.00 O ATOM 0 H GLU A 43 -4.163 -20.579 6.933 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.352 -22.423 8.869 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.070 -19.566 8.063 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -6.812 -20.466 9.371 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.693 -20.487 10.617 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.864 -19.711 9.282 1.00 0.00 H new ATOM 715 N HIS A 44 -6.761 -21.428 6.028 1.00 0.00 N ATOM 716 CA HIS A 44 -8.001 -21.558 5.225 1.00 0.00 C ATOM 717 C HIS A 44 -7.956 -22.611 4.140 1.00 0.00 C ATOM 718 O HIS A 44 -8.996 -22.969 3.602 1.00 0.00 O ATOM 719 CB HIS A 44 -8.477 -20.212 4.646 1.00 0.00 C ATOM 720 CG HIS A 44 -8.800 -19.181 5.685 1.00 0.00 C ATOM 721 ND1 HIS A 44 -7.876 -18.571 6.493 1.00 0.00 N ATOM 722 CD2 HIS A 44 -9.994 -18.631 6.041 1.00 0.00 C ATOM 723 CE1 HIS A 44 -8.511 -17.716 7.287 1.00 0.00 C ATOM 724 NE2 HIS A 44 -9.807 -17.705 7.051 1.00 0.00 N ATOM 0 H HIS A 44 -6.032 -20.846 5.615 1.00 0.00 H new ATOM 0 HA HIS A 44 -8.735 -21.907 5.952 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -7.704 -19.818 3.986 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -9.362 -20.384 4.033 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -6.871 -18.744 6.486 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -10.947 -18.881 5.599 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -8.025 -17.105 8.034 1.00 0.00 H new ATOM 732 N ARG A 45 -6.760 -23.114 3.849 1.00 0.00 N ATOM 733 CA ARG A 45 -6.530 -24.289 2.965 1.00 0.00 C ATOM 734 C ARG A 45 -7.321 -24.323 1.654 1.00 0.00 C ATOM 735 O ARG A 45 -7.682 -25.395 1.158 1.00 0.00 O ATOM 736 CB ARG A 45 -6.772 -25.597 3.759 1.00 0.00 C ATOM 737 CG ARG A 45 -8.232 -25.819 4.184 1.00 0.00 C ATOM 738 CD ARG A 45 -8.527 -27.206 4.659 1.00 0.00 C ATOM 739 NE ARG A 45 -9.983 -27.395 4.610 1.00 0.00 N ATOM 740 CZ ARG A 45 -10.658 -28.411 5.117 1.00 0.00 C ATOM 741 NH1 ARG A 45 -10.077 -29.391 5.766 1.00 0.00 N ATOM 742 NH2 ARG A 45 -11.949 -28.428 4.962 1.00 0.00 N ATOM 0 H ARG A 45 -5.896 -22.720 4.221 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.491 -24.192 2.650 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -6.451 -26.442 3.150 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -6.144 -25.589 4.650 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -8.479 -25.115 4.978 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.883 -25.589 3.341 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.025 -27.941 4.030 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -8.157 -27.349 5.674 1.00 0.00 H new ATOM 0 HE ARG A 45 -10.526 -26.671 4.139 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.065 -29.388 5.895 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -10.637 -30.157 6.141 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -12.412 -27.670 4.460 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -12.498 -29.199 5.342 1.00 0.00 H new ATOM 756 N THR A 46 -7.577 -23.158 1.090 1.00 0.00 N ATOM 757 CA THR A 46 -8.339 -23.056 -0.145 1.00 0.00 C ATOM 758 C THR A 46 -7.549 -23.678 -1.283 1.00 0.00 C ATOM 759 O THR A 46 -6.367 -23.995 -1.132 1.00 0.00 O ATOM 760 CB THR A 46 -8.621 -21.590 -0.466 1.00 0.00 C ATOM 761 OG1 THR A 46 -7.392 -20.861 -0.432 1.00 0.00 O ATOM 762 CG2 THR A 46 -9.568 -20.996 0.559 1.00 0.00 C ATOM 0 H THR A 46 -7.267 -22.263 1.468 1.00 0.00 H new ATOM 0 HA THR A 46 -9.285 -23.584 -0.023 1.00 0.00 H new ATOM 0 HB THR A 46 -9.077 -21.527 -1.454 1.00 0.00 H new ATOM 0 HG1 THR A 46 -7.579 -19.901 -0.492 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.759 -19.951 0.316 1.00 0.00 H new ATOM 0 HG22 THR A 46 -10.508 -21.548 0.549 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.119 -21.062 1.550 1.00 0.00 H new ATOM 770 N VAL A 47 -8.181 -23.849 -2.437 1.00 0.00 N ATOM 771 CA VAL A 47 -7.517 -24.478 -3.587 1.00 0.00 C ATOM 772 C VAL A 47 -6.310 -23.678 -4.088 1.00 0.00 C ATOM 773 O VAL A 47 -5.555 -24.155 -4.930 1.00 0.00 O ATOM 774 CB VAL A 47 -8.499 -24.711 -4.773 1.00 0.00 C ATOM 775 CG1 VAL A 47 -9.689 -25.565 -4.314 1.00 0.00 C ATOM 776 CG2 VAL A 47 -8.993 -23.385 -5.347 1.00 0.00 C ATOM 0 H VAL A 47 -9.146 -23.566 -2.608 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.162 -25.441 -3.219 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.961 -25.241 -5.559 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -10.369 -25.721 -5.151 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.328 -26.529 -3.955 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -10.216 -25.052 -3.510 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.677 -23.579 -6.173 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.512 -22.823 -4.570 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.143 -22.805 -5.707 1.00 0.00 H new ATOM 786 N GLU A 48 -6.122 -22.482 -3.554 1.00 0.00 N ATOM 787 CA GLU A 48 -4.979 -21.648 -3.887 1.00 0.00 C ATOM 788 C GLU A 48 -3.678 -22.212 -3.290 1.00 0.00 C ATOM 789 O GLU A 48 -2.589 -21.879 -3.753 1.00 0.00 O ATOM 790 CB GLU A 48 -5.210 -20.235 -3.334 1.00 0.00 C ATOM 791 CG GLU A 48 -5.054 -19.125 -4.367 1.00 0.00 C ATOM 792 CD GLU A 48 -6.327 -18.880 -5.168 1.00 0.00 C ATOM 793 OE1 GLU A 48 -6.870 -17.753 -5.083 1.00 0.00 O ATOM 794 OE2 GLU A 48 -6.781 -19.796 -5.886 1.00 0.00 O ATOM 0 H GLU A 48 -6.758 -22.062 -2.877 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.878 -21.626 -4.972 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.213 -20.183 -2.910 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.509 -20.057 -2.518 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.765 -18.203 -3.862 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.244 -19.382 -5.050 1.00 0.00 H new ATOM 801 N VAL A 49 -3.788 -23.052 -2.263 1.00 0.00 N ATOM 802 CA VAL A 49 -2.607 -23.596 -1.566 1.00 0.00 C ATOM 803 C VAL A 49 -1.607 -24.207 -2.556 1.00 0.00 C ATOM 804 O VAL A 49 -1.987 -24.972 -3.440 1.00 0.00 O ATOM 805 CB VAL A 49 -3.028 -24.604 -0.430 1.00 0.00 C ATOM 806 CG1 VAL A 49 -3.666 -25.887 -0.998 1.00 0.00 C ATOM 807 CG2 VAL A 49 -1.831 -24.963 0.459 1.00 0.00 C ATOM 0 H VAL A 49 -4.680 -23.376 -1.889 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.093 -22.769 -1.076 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.780 -24.097 0.175 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.940 -26.551 -0.178 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.558 -25.628 -1.568 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.952 -26.391 -1.650 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.150 -25.660 1.234 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.053 -25.426 -0.148 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.438 -24.058 0.923 1.00 0.00 H new ATOM 817 N GLU A 50 -0.340 -23.812 -2.410 1.00 0.00 N ATOM 818 CA GLU A 50 0.793 -24.160 -3.310 1.00 0.00 C ATOM 819 C GLU A 50 0.682 -23.501 -4.699 1.00 0.00 C ATOM 820 O GLU A 50 1.653 -22.926 -5.209 1.00 0.00 O ATOM 821 CB GLU A 50 0.978 -25.679 -3.489 1.00 0.00 C ATOM 822 CG GLU A 50 1.217 -26.448 -2.199 1.00 0.00 C ATOM 823 CD GLU A 50 1.473 -27.925 -2.465 1.00 0.00 C ATOM 824 OE1 GLU A 50 2.485 -28.246 -3.126 1.00 0.00 O ATOM 825 OE2 GLU A 50 0.658 -28.764 -2.023 1.00 0.00 O ATOM 0 H GLU A 50 -0.050 -23.217 -1.634 1.00 0.00 H new ATOM 0 HA GLU A 50 1.671 -23.761 -2.802 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.092 -26.084 -3.978 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.819 -25.852 -4.160 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.070 -26.020 -1.672 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.352 -26.340 -1.545 1.00 0.00 H new ATOM 832 N LYS A 51 -0.500 -23.572 -5.297 1.00 0.00 N ATOM 833 CA LYS A 51 -0.777 -23.012 -6.627 1.00 0.00 C ATOM 834 C LYS A 51 -0.642 -21.495 -6.649 1.00 0.00 C ATOM 835 O LYS A 51 -0.527 -20.901 -7.716 1.00 0.00 O ATOM 836 CB LYS A 51 -2.181 -23.422 -7.076 1.00 0.00 C ATOM 837 CG LYS A 51 -2.224 -24.826 -7.701 1.00 0.00 C ATOM 838 CD LYS A 51 -3.510 -25.571 -7.358 1.00 0.00 C ATOM 839 CE LYS A 51 -3.380 -26.227 -5.991 1.00 0.00 C ATOM 840 NZ LYS A 51 -4.660 -26.795 -5.480 1.00 0.00 N ATOM 0 H LYS A 51 -1.309 -24.025 -4.872 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.036 -23.413 -7.318 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.854 -23.391 -6.219 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.552 -22.696 -7.800 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.132 -24.743 -8.784 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.368 -25.403 -7.352 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.353 -24.880 -7.361 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.716 -26.327 -8.116 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.636 -27.022 -6.047 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.008 -25.492 -5.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.464 -27.424 -4.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.284 -26.022 -5.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.126 -27.336 -6.236 1.00 0.00 H new ATOM 854 N VAL A 52 -0.620 -20.883 -5.472 1.00 0.00 N ATOM 855 CA VAL A 52 -0.367 -19.448 -5.337 1.00 0.00 C ATOM 856 C VAL A 52 0.935 -19.033 -6.015 1.00 0.00 C ATOM 857 O VAL A 52 1.060 -17.885 -6.417 1.00 0.00 O ATOM 858 CB VAL A 52 -0.219 -19.010 -3.836 1.00 0.00 C ATOM 859 CG1 VAL A 52 -1.573 -18.713 -3.203 1.00 0.00 C ATOM 860 CG2 VAL A 52 0.515 -20.084 -3.012 1.00 0.00 C ATOM 0 H VAL A 52 -0.776 -21.362 -4.585 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.229 -18.970 -5.803 1.00 0.00 H new ATOM 0 HB VAL A 52 0.374 -18.095 -3.830 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.431 -18.413 -2.165 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.061 -17.907 -3.750 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.196 -19.607 -3.241 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.602 -19.752 -1.977 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.047 -21.017 -3.048 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.510 -20.244 -3.427 1.00 0.00 H new ATOM 870 N HIS A 53 1.899 -19.953 -6.124 1.00 0.00 N ATOM 871 CA HIS A 53 3.230 -19.638 -6.663 1.00 0.00 C ATOM 872 C HIS A 53 3.756 -18.463 -5.827 1.00 0.00 C ATOM 873 O HIS A 53 4.152 -17.422 -6.346 1.00 0.00 O ATOM 874 CB HIS A 53 3.154 -19.307 -8.164 1.00 0.00 C ATOM 875 CG HIS A 53 4.448 -19.501 -8.890 1.00 0.00 C ATOM 876 ND1 HIS A 53 4.584 -20.230 -10.045 1.00 0.00 N ATOM 877 CD2 HIS A 53 5.702 -19.045 -8.613 1.00 0.00 C ATOM 878 CE1 HIS A 53 5.860 -20.187 -10.417 1.00 0.00 C ATOM 879 NE2 HIS A 53 6.587 -19.473 -9.582 1.00 0.00 N ATOM 0 H HIS A 53 1.783 -20.927 -5.845 1.00 0.00 H new ATOM 0 HA HIS A 53 3.909 -20.488 -6.592 1.00 0.00 H new ATOM 0 HB2 HIS A 53 2.391 -19.933 -8.627 1.00 0.00 H new ATOM 0 HB3 HIS A 53 2.833 -18.272 -8.283 1.00 0.00 H new ATOM 0 HD2 HIS A 53 5.965 -18.437 -7.760 1.00 0.00 H new ATOM 0 HE1 HIS A 53 6.252 -20.677 -11.296 1.00 0.00 H new ATOM 0 HE2 HIS A 53 7.587 -19.279 -9.639 1.00 0.00 H new ATOM 887 N LEU A 54 3.709 -18.669 -4.514 1.00 0.00 N ATOM 888 CA LEU A 54 3.971 -17.644 -3.492 1.00 0.00 C ATOM 889 C LEU A 54 4.985 -16.541 -3.806 1.00 0.00 C ATOM 890 O LEU A 54 4.661 -15.380 -3.651 1.00 0.00 O ATOM 891 CB LEU A 54 4.364 -18.337 -2.179 1.00 0.00 C ATOM 892 CG LEU A 54 4.509 -17.440 -0.932 1.00 0.00 C ATOM 893 CD1 LEU A 54 3.197 -16.743 -0.571 1.00 0.00 C ATOM 894 CD2 LEU A 54 4.978 -18.291 0.244 1.00 0.00 C ATOM 0 H LEU A 54 3.481 -19.579 -4.113 1.00 0.00 H new ATOM 0 HA LEU A 54 3.028 -17.100 -3.435 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.618 -19.101 -1.962 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.311 -18.853 -2.338 1.00 0.00 H new ATOM 0 HG LEU A 54 5.241 -16.664 -1.158 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.346 -16.122 0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.876 -16.117 -1.404 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.432 -17.492 -0.364 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.083 -17.663 1.129 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.247 -19.075 0.440 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.940 -18.744 0.005 1.00 0.00 H new ATOM 906 N GLU A 55 6.193 -16.873 -4.238 1.00 0.00 N ATOM 907 CA GLU A 55 7.191 -15.830 -4.515 1.00 0.00 C ATOM 908 C GLU A 55 6.717 -14.896 -5.630 1.00 0.00 C ATOM 909 O GLU A 55 6.781 -13.683 -5.494 1.00 0.00 O ATOM 910 CB GLU A 55 8.539 -16.461 -4.886 1.00 0.00 C ATOM 911 CG GLU A 55 9.659 -15.442 -5.196 1.00 0.00 C ATOM 912 CD GLU A 55 9.595 -14.898 -6.625 1.00 0.00 C ATOM 913 OE1 GLU A 55 9.717 -13.668 -6.831 1.00 0.00 O ATOM 914 OE2 GLU A 55 9.430 -15.708 -7.559 1.00 0.00 O ATOM 0 H GLU A 55 6.508 -17.829 -4.403 1.00 0.00 H new ATOM 0 HA GLU A 55 7.318 -15.238 -3.608 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.864 -17.101 -4.066 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.398 -17.103 -5.755 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.591 -14.611 -4.494 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.628 -15.916 -5.037 1.00 0.00 H new ATOM 921 N LYS A 56 6.233 -15.461 -6.725 1.00 0.00 N ATOM 922 CA LYS A 56 5.774 -14.667 -7.865 1.00 0.00 C ATOM 923 C LYS A 56 4.533 -13.871 -7.478 1.00 0.00 C ATOM 924 O LYS A 56 4.383 -12.714 -7.862 1.00 0.00 O ATOM 925 CB LYS A 56 5.489 -15.604 -9.049 1.00 0.00 C ATOM 926 CG LYS A 56 5.260 -14.913 -10.393 1.00 0.00 C ATOM 927 CD LYS A 56 3.783 -14.616 -10.646 1.00 0.00 C ATOM 928 CE LYS A 56 3.573 -14.109 -12.063 1.00 0.00 C ATOM 929 NZ LYS A 56 2.148 -13.694 -12.268 1.00 0.00 N ATOM 0 H LYS A 56 6.146 -16.469 -6.853 1.00 0.00 H new ATOM 0 HA LYS A 56 6.547 -13.957 -8.161 1.00 0.00 H new ATOM 0 HB2 LYS A 56 6.326 -16.295 -9.153 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.609 -16.202 -8.813 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.826 -13.982 -10.422 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.644 -15.544 -11.194 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.193 -15.518 -10.486 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.429 -13.872 -9.932 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.235 -13.264 -12.255 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.837 -14.889 -12.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.968 -13.561 -13.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.515 -14.431 -11.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.971 -12.801 -11.765 1.00 0.00 H new ATOM 943 N LYS A 57 3.647 -14.483 -6.706 1.00 0.00 N ATOM 944 CA LYS A 57 2.438 -13.796 -6.247 1.00 0.00 C ATOM 945 C LYS A 57 2.814 -12.610 -5.381 1.00 0.00 C ATOM 946 O LYS A 57 2.305 -11.515 -5.581 1.00 0.00 O ATOM 947 CB LYS A 57 1.547 -14.765 -5.469 1.00 0.00 C ATOM 948 CG LYS A 57 0.315 -14.142 -4.817 1.00 0.00 C ATOM 949 CD LYS A 57 -0.592 -13.459 -5.832 1.00 0.00 C ATOM 950 CE LYS A 57 -1.997 -13.327 -5.291 1.00 0.00 C ATOM 951 NZ LYS A 57 -2.157 -12.387 -4.122 1.00 0.00 N ATOM 0 H LYS A 57 3.737 -15.447 -6.384 1.00 0.00 H new ATOM 0 HA LYS A 57 1.884 -13.434 -7.113 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.219 -15.554 -6.146 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.147 -15.240 -4.693 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.247 -14.916 -4.293 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.631 -13.416 -4.068 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.196 -12.473 -6.074 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.606 -14.033 -6.758 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.648 -12.990 -6.098 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.346 -14.315 -4.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.973 -12.682 -3.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.297 -12.410 -3.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.312 -11.420 -4.473 1.00 0.00 H new ATOM 965 N LEU A 58 3.717 -12.833 -4.440 1.00 0.00 N ATOM 966 CA LEU A 58 4.187 -11.778 -3.553 1.00 0.00 C ATOM 967 C LEU A 58 4.793 -10.672 -4.402 1.00 0.00 C ATOM 968 O LEU A 58 4.476 -9.496 -4.240 1.00 0.00 O ATOM 969 CB LEU A 58 5.209 -12.363 -2.566 1.00 0.00 C ATOM 970 CG LEU A 58 5.783 -11.452 -1.470 1.00 0.00 C ATOM 971 CD1 LEU A 58 6.234 -12.322 -0.296 1.00 0.00 C ATOM 972 CD2 LEU A 58 6.975 -10.620 -1.960 1.00 0.00 C ATOM 0 H LEU A 58 4.143 -13.744 -4.269 1.00 0.00 H new ATOM 0 HA LEU A 58 3.366 -11.359 -2.971 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.742 -13.217 -2.075 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.047 -12.748 -3.147 1.00 0.00 H new ATOM 0 HG LEU A 58 4.999 -10.756 -1.172 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.644 -11.688 0.490 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.381 -12.878 0.094 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.999 -13.021 -0.634 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.341 -9.995 -1.146 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.771 -11.286 -2.293 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.661 -9.987 -2.790 1.00 0.00 H new ATOM 984 N ARG A 59 5.657 -11.059 -5.327 1.00 0.00 N ATOM 985 CA ARG A 59 6.329 -10.110 -6.203 1.00 0.00 C ATOM 986 C ARG A 59 5.325 -9.207 -6.904 1.00 0.00 C ATOM 987 O ARG A 59 5.522 -8.001 -6.959 1.00 0.00 O ATOM 988 CB ARG A 59 7.158 -10.879 -7.235 1.00 0.00 C ATOM 989 CG ARG A 59 8.156 -10.047 -8.003 1.00 0.00 C ATOM 990 CD ARG A 59 8.488 -10.721 -9.327 1.00 0.00 C ATOM 991 NE ARG A 59 8.980 -12.102 -9.157 1.00 0.00 N ATOM 992 CZ ARG A 59 9.275 -12.932 -10.150 1.00 0.00 C ATOM 993 NH1 ARG A 59 9.173 -12.579 -11.409 1.00 0.00 N ATOM 994 NH2 ARG A 59 9.676 -14.136 -9.879 1.00 0.00 N ATOM 0 H ARG A 59 5.912 -12.033 -5.492 1.00 0.00 H new ATOM 0 HA ARG A 59 6.983 -9.478 -5.602 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.693 -11.680 -6.725 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.479 -11.351 -7.945 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.749 -9.052 -8.184 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.064 -9.918 -7.414 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.599 -10.732 -9.957 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.242 -10.133 -9.850 1.00 0.00 H new ATOM 0 HE ARG A 59 9.103 -12.445 -8.204 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.858 -11.640 -11.651 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.409 -13.244 -12.146 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.763 -14.438 -8.909 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.905 -14.780 -10.636 1.00 0.00 H new ATOM 1008 N ASP A 60 4.264 -9.783 -7.444 1.00 0.00 N ATOM 1009 CA ASP A 60 3.262 -9.014 -8.191 1.00 0.00 C ATOM 1010 C ASP A 60 2.332 -8.176 -7.306 1.00 0.00 C ATOM 1011 O ASP A 60 2.053 -7.009 -7.613 1.00 0.00 O ATOM 1012 CB ASP A 60 2.397 -9.953 -9.034 1.00 0.00 C ATOM 1013 CG ASP A 60 3.131 -10.510 -10.247 1.00 0.00 C ATOM 1014 OD1 ASP A 60 2.490 -11.271 -11.005 1.00 0.00 O ATOM 1015 OD2 ASP A 60 4.325 -10.197 -10.466 1.00 0.00 O ATOM 0 H ASP A 60 4.067 -10.782 -7.383 1.00 0.00 H new ATOM 0 HA ASP A 60 3.832 -8.325 -8.815 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.055 -10.780 -8.412 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.508 -9.417 -9.368 1.00 0.00 H new ATOM 1020 N GLU A 61 1.838 -8.752 -6.219 1.00 0.00 N ATOM 1021 CA GLU A 61 0.889 -8.049 -5.349 1.00 0.00 C ATOM 1022 C GLU A 61 1.587 -6.811 -4.745 1.00 0.00 C ATOM 1023 O GLU A 61 1.050 -5.656 -4.782 1.00 0.00 O ATOM 1024 CB GLU A 61 0.310 -9.022 -4.283 1.00 0.00 C ATOM 1025 CG GLU A 61 1.291 -9.417 -3.160 1.00 0.00 C ATOM 1026 CD GLU A 61 0.899 -10.637 -2.336 1.00 0.00 C ATOM 1027 OE1 GLU A 61 1.603 -10.882 -1.315 1.00 0.00 O ATOM 1028 OE2 GLU A 61 -0.075 -11.354 -2.687 1.00 0.00 O ATOM 0 H GLU A 61 2.073 -9.697 -5.915 1.00 0.00 H new ATOM 0 HA GLU A 61 0.032 -7.691 -5.919 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.569 -8.561 -3.832 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.028 -9.928 -4.785 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.268 -9.602 -3.606 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.403 -8.568 -2.486 1.00 0.00 H new ATOM 1035 N ILE A 62 2.794 -7.013 -4.221 1.00 0.00 N ATOM 1036 CA ILE A 62 3.534 -5.902 -3.682 1.00 0.00 C ATOM 1037 C ILE A 62 4.015 -4.996 -4.795 1.00 0.00 C ATOM 1038 O ILE A 62 4.259 -3.849 -4.535 1.00 0.00 O ATOM 1039 CB ILE A 62 4.681 -6.313 -2.711 1.00 0.00 C ATOM 1040 CG1 ILE A 62 5.982 -6.703 -3.432 1.00 0.00 C ATOM 1041 CG2 ILE A 62 4.179 -7.394 -1.731 1.00 0.00 C ATOM 1042 CD1 ILE A 62 7.145 -6.830 -2.456 1.00 0.00 C ATOM 0 H ILE A 62 3.262 -7.918 -4.164 1.00 0.00 H new ATOM 0 HA ILE A 62 2.840 -5.340 -3.057 1.00 0.00 H new ATOM 0 HB ILE A 62 4.956 -5.433 -2.129 1.00 0.00 H new ATOM 0 HG12 ILE A 62 5.840 -7.649 -3.955 1.00 0.00 H new ATOM 0 HG13 ILE A 62 6.219 -5.954 -4.187 1.00 0.00 H new ATOM 0 HG21 ILE A 62 4.987 -7.676 -1.056 1.00 0.00 H new ATOM 0 HG22 ILE A 62 3.343 -7.001 -1.153 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.852 -8.270 -2.292 1.00 0.00 H new ATOM 0 HD11 ILE A 62 8.048 -7.107 -3.000 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.303 -5.876 -1.952 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.917 -7.598 -1.717 1.00 0.00 H new ATOM 1054 N ASN A 63 4.131 -5.471 -6.033 1.00 0.00 N ATOM 1055 CA ASN A 63 4.491 -4.566 -7.135 1.00 0.00 C ATOM 1056 C ASN A 63 3.350 -3.600 -7.394 1.00 0.00 C ATOM 1057 O ASN A 63 3.587 -2.435 -7.684 1.00 0.00 O ATOM 1058 CB ASN A 63 4.789 -5.304 -8.438 1.00 0.00 C ATOM 1059 CG ASN A 63 6.226 -5.173 -8.854 1.00 0.00 C ATOM 1060 OD1 ASN A 63 6.728 -4.069 -9.050 1.00 0.00 O ATOM 1061 ND2 ASN A 63 6.900 -6.277 -8.981 1.00 0.00 N ATOM 0 H ASN A 63 3.987 -6.445 -6.299 1.00 0.00 H new ATOM 0 HA ASN A 63 5.396 -4.044 -6.825 1.00 0.00 H new ATOM 0 HB2 ASN A 63 4.543 -6.359 -8.319 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.148 -4.914 -9.228 1.00 0.00 H new ATOM 0 HD21 ASN A 63 7.883 -6.246 -9.253 1.00 0.00 H new ATOM 0 HD22 ASN A 63 6.446 -7.174 -8.809 1.00 0.00 H new ATOM 1068 N LEU A 64 2.117 -4.073 -7.281 1.00 0.00 N ATOM 1069 CA LEU A 64 0.953 -3.198 -7.455 1.00 0.00 C ATOM 1070 C LEU A 64 0.821 -2.268 -6.249 1.00 0.00 C ATOM 1071 O LEU A 64 0.629 -1.045 -6.389 1.00 0.00 O ATOM 1072 CB LEU A 64 -0.320 -4.031 -7.624 1.00 0.00 C ATOM 1073 CG LEU A 64 -0.424 -4.804 -8.951 1.00 0.00 C ATOM 1074 CD1 LEU A 64 -1.578 -5.801 -8.879 1.00 0.00 C ATOM 1075 CD2 LEU A 64 -0.638 -3.851 -10.134 1.00 0.00 C ATOM 0 H LEU A 64 1.892 -5.046 -7.072 1.00 0.00 H new ATOM 0 HA LEU A 64 1.093 -2.598 -8.354 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.381 -4.743 -6.801 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.182 -3.370 -7.538 1.00 0.00 H new ATOM 0 HG LEU A 64 0.514 -5.337 -9.108 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.648 -6.346 -9.821 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.401 -6.504 -8.065 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.511 -5.266 -8.700 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.708 -4.427 -11.057 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.560 -3.289 -9.986 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.202 -3.159 -10.200 1.00 0.00 H new ATOM 1087 N ALA A 65 0.949 -2.814 -5.047 1.00 0.00 N ATOM 1088 CA ALA A 65 0.885 -1.927 -3.881 1.00 0.00 C ATOM 1089 C ALA A 65 2.047 -0.888 -3.942 1.00 0.00 C ATOM 1090 O ALA A 65 1.879 0.285 -3.594 1.00 0.00 O ATOM 1091 CB ALA A 65 0.908 -2.736 -2.613 1.00 0.00 C ATOM 0 H ALA A 65 1.090 -3.805 -4.852 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.053 -1.371 -3.891 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.860 -2.067 -1.754 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.052 -3.410 -2.596 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.829 -3.318 -2.569 1.00 0.00 H new ATOM 1097 N LYS A 66 3.210 -1.320 -4.424 1.00 0.00 N ATOM 1098 CA LYS A 66 4.365 -0.434 -4.657 1.00 0.00 C ATOM 1099 C LYS A 66 4.028 0.579 -5.741 1.00 0.00 C ATOM 1100 O LYS A 66 4.522 1.695 -5.708 1.00 0.00 O ATOM 1101 CB LYS A 66 5.595 -1.267 -5.078 1.00 0.00 C ATOM 1102 CG LYS A 66 6.843 -0.501 -5.559 1.00 0.00 C ATOM 1103 CD LYS A 66 7.297 -1.006 -6.945 1.00 0.00 C ATOM 1104 CE LYS A 66 6.348 -0.548 -8.069 1.00 0.00 C ATOM 1105 NZ LYS A 66 6.657 -1.208 -9.380 1.00 0.00 N ATOM 0 H LYS A 66 3.386 -2.295 -4.667 1.00 0.00 H new ATOM 0 HA LYS A 66 4.598 0.096 -3.733 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.887 -1.887 -4.231 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.287 -1.942 -5.876 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.623 0.565 -5.610 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.652 -0.626 -4.839 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.304 -0.642 -7.151 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.347 -2.095 -6.935 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.319 -0.771 -7.786 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.420 0.534 -8.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.923 -0.961 -10.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.583 -0.881 -9.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.680 -2.240 -9.252 1.00 0.00 H new ATOM 1119 N GLN A 67 3.194 0.205 -6.698 1.00 0.00 N ATOM 1120 CA GLN A 67 2.793 1.133 -7.744 1.00 0.00 C ATOM 1121 C GLN A 67 2.033 2.250 -7.060 1.00 0.00 C ATOM 1122 O GLN A 67 2.399 3.415 -7.221 1.00 0.00 O ATOM 1123 CB GLN A 67 1.939 0.455 -8.823 1.00 0.00 C ATOM 1124 CG GLN A 67 1.603 1.347 -9.999 1.00 0.00 C ATOM 1125 CD GLN A 67 0.711 0.638 -10.990 1.00 0.00 C ATOM 1126 OE1 GLN A 67 1.175 0.125 -11.996 1.00 0.00 O ATOM 1127 NE2 GLN A 67 -0.562 0.597 -10.707 1.00 0.00 N ATOM 0 H GLN A 67 2.784 -0.726 -6.773 1.00 0.00 H new ATOM 0 HA GLN A 67 3.669 1.516 -8.267 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.467 -0.426 -9.188 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.011 0.105 -8.370 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.108 2.250 -9.643 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.522 1.661 -10.494 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -0.910 1.038 -9.856 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.210 0.124 -11.337 1.00 0.00 H new ATOM 1136 N GLU A 68 1.005 1.951 -6.271 1.00 0.00 N ATOM 1137 CA GLU A 68 0.358 3.068 -5.577 1.00 0.00 C ATOM 1138 C GLU A 68 1.260 3.720 -4.496 1.00 0.00 C ATOM 1139 O GLU A 68 1.149 4.921 -4.226 1.00 0.00 O ATOM 1140 CB GLU A 68 -1.009 2.655 -5.072 1.00 0.00 C ATOM 1141 CG GLU A 68 -2.055 2.761 -6.207 1.00 0.00 C ATOM 1142 CD GLU A 68 -1.769 1.798 -7.364 1.00 0.00 C ATOM 1143 OE1 GLU A 68 -1.406 2.279 -8.471 1.00 0.00 O ATOM 1144 OE2 GLU A 68 -1.892 0.575 -7.179 1.00 0.00 O ATOM 0 H GLU A 68 0.622 1.021 -6.101 1.00 0.00 H new ATOM 0 HA GLU A 68 0.201 3.868 -6.301 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.972 1.632 -4.697 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.303 3.291 -4.237 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.046 2.554 -5.803 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.072 3.783 -6.586 1.00 0.00 H new ATOM 1151 N ALA A 69 2.191 2.975 -3.910 1.00 0.00 N ATOM 1152 CA ALA A 69 3.164 3.588 -2.987 1.00 0.00 C ATOM 1153 C ALA A 69 4.047 4.630 -3.717 1.00 0.00 C ATOM 1154 O ALA A 69 4.438 5.654 -3.142 1.00 0.00 O ATOM 1155 CB ALA A 69 4.037 2.516 -2.337 1.00 0.00 C ATOM 0 H ALA A 69 2.300 1.970 -4.046 1.00 0.00 H new ATOM 0 HA ALA A 69 2.605 4.104 -2.207 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.749 2.988 -1.659 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.407 1.824 -1.778 1.00 0.00 H new ATOM 0 HB3 ALA A 69 4.579 1.970 -3.110 1.00 0.00 H new ATOM 1161 N GLN A 70 4.354 4.383 -4.984 1.00 0.00 N ATOM 1162 CA GLN A 70 5.123 5.335 -5.785 1.00 0.00 C ATOM 1163 C GLN A 70 4.290 6.594 -5.958 1.00 0.00 C ATOM 1164 O GLN A 70 4.820 7.706 -5.927 1.00 0.00 O ATOM 1165 CB GLN A 70 5.481 4.751 -7.156 1.00 0.00 C ATOM 1166 CG GLN A 70 6.382 5.665 -7.992 1.00 0.00 C ATOM 1167 CD GLN A 70 5.650 6.283 -9.173 1.00 0.00 C ATOM 1168 OE1 GLN A 70 5.498 5.650 -10.204 1.00 0.00 O ATOM 1169 NE2 GLN A 70 5.212 7.509 -9.028 1.00 0.00 N ATOM 0 H GLN A 70 4.084 3.534 -5.481 1.00 0.00 H new ATOM 0 HA GLN A 70 6.058 5.561 -5.272 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.980 3.792 -7.015 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.563 4.554 -7.709 1.00 0.00 H new ATOM 0 HG2 GLN A 70 6.777 6.459 -7.358 1.00 0.00 H new ATOM 0 HG3 GLN A 70 7.236 5.094 -8.357 1.00 0.00 H new ATOM 0 HE21 GLN A 70 5.360 8.003 -8.148 1.00 0.00 H new ATOM 0 HE22 GLN A 70 4.722 7.970 -9.795 1.00 0.00 H new ATOM 1178 N ARG A 71 2.985 6.431 -6.117 1.00 0.00 N ATOM 1179 CA ARG A 71 2.112 7.595 -6.219 1.00 0.00 C ATOM 1180 C ARG A 71 2.145 8.354 -4.895 1.00 0.00 C ATOM 1181 O ARG A 71 2.124 9.567 -4.888 1.00 0.00 O ATOM 1182 CB ARG A 71 0.675 7.210 -6.572 1.00 0.00 C ATOM 1183 CG ARG A 71 0.520 6.344 -7.820 1.00 0.00 C ATOM 1184 CD ARG A 71 -0.924 6.389 -8.287 1.00 0.00 C ATOM 1185 NE ARG A 71 -1.372 5.180 -8.993 1.00 0.00 N ATOM 1186 CZ ARG A 71 -2.393 5.129 -9.842 1.00 0.00 C ATOM 1187 NH1 ARG A 71 -3.111 6.177 -10.156 1.00 0.00 N ATOM 1188 NH2 ARG A 71 -2.703 3.985 -10.376 1.00 0.00 N ATOM 0 H ARG A 71 2.514 5.528 -6.177 1.00 0.00 H new ATOM 0 HA ARG A 71 2.478 8.228 -7.028 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.240 6.679 -5.725 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.095 8.123 -6.709 1.00 0.00 H new ATOM 0 HG2 ARG A 71 1.181 6.702 -8.609 1.00 0.00 H new ATOM 0 HG3 ARG A 71 0.812 5.317 -7.602 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.568 6.550 -7.422 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.054 7.248 -8.945 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.861 4.315 -8.818 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -2.896 7.085 -9.743 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -3.885 6.086 -10.814 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.166 3.150 -10.141 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.483 3.922 -11.030 1.00 0.00 H new ATOM 1202 N LEU A 72 2.229 7.649 -3.771 1.00 0.00 N ATOM 1203 CA LEU A 72 2.329 8.310 -2.466 1.00 0.00 C ATOM 1204 C LEU A 72 3.663 9.056 -2.362 1.00 0.00 C ATOM 1205 O LEU A 72 3.723 10.162 -1.811 1.00 0.00 O ATOM 1206 CB LEU A 72 2.127 7.297 -1.347 1.00 0.00 C ATOM 1207 CG LEU A 72 0.636 6.931 -1.268 1.00 0.00 C ATOM 1208 CD1 LEU A 72 0.452 5.503 -0.817 1.00 0.00 C ATOM 1209 CD2 LEU A 72 -0.110 7.889 -0.333 1.00 0.00 C ATOM 0 H LEU A 72 2.230 6.630 -3.732 1.00 0.00 H new ATOM 0 HA LEU A 72 1.538 9.053 -2.363 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.724 6.405 -1.534 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.464 7.713 -0.397 1.00 0.00 H new ATOM 0 HG LEU A 72 0.215 7.028 -2.269 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.612 5.271 -0.770 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.939 4.832 -1.525 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.896 5.373 0.170 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.163 7.611 -0.292 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.320 7.830 0.667 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.018 8.908 -0.708 1.00 0.00 H new ATOM 1221 N LYS A 73 4.727 8.483 -2.920 1.00 0.00 N ATOM 1222 CA LYS A 73 6.016 9.201 -2.974 1.00 0.00 C ATOM 1223 C LYS A 73 5.861 10.460 -3.814 1.00 0.00 C ATOM 1224 O LYS A 73 6.281 11.529 -3.408 1.00 0.00 O ATOM 1225 CB LYS A 73 7.131 8.357 -3.603 1.00 0.00 C ATOM 1226 CG LYS A 73 7.550 7.177 -2.784 1.00 0.00 C ATOM 1227 CD LYS A 73 8.619 6.369 -3.498 1.00 0.00 C ATOM 1228 CE LYS A 73 8.945 5.095 -2.724 1.00 0.00 C ATOM 1229 NZ LYS A 73 9.481 5.402 -1.353 1.00 0.00 N ATOM 0 H LYS A 73 4.734 7.550 -3.333 1.00 0.00 H new ATOM 0 HA LYS A 73 6.291 9.433 -1.945 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.797 8.006 -4.580 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.000 8.993 -3.773 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.929 7.516 -1.820 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.685 6.545 -2.583 1.00 0.00 H new ATOM 0 HD2 LYS A 73 8.278 6.113 -4.501 1.00 0.00 H new ATOM 0 HD3 LYS A 73 9.520 6.971 -3.612 1.00 0.00 H new ATOM 0 HE2 LYS A 73 8.048 4.483 -2.636 1.00 0.00 H new ATOM 0 HE3 LYS A 73 9.678 4.509 -3.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 10.211 4.705 -1.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 9.896 6.356 -1.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.707 5.358 -0.660 1.00 0.00 H new ATOM 1243 N GLU A 74 5.248 10.326 -4.981 1.00 0.00 N ATOM 1244 CA GLU A 74 5.074 11.464 -5.888 1.00 0.00 C ATOM 1245 C GLU A 74 4.242 12.572 -5.236 1.00 0.00 C ATOM 1246 O GLU A 74 4.535 13.754 -5.390 1.00 0.00 O ATOM 1247 CB GLU A 74 4.408 10.991 -7.182 1.00 0.00 C ATOM 1248 CG GLU A 74 4.416 12.025 -8.292 1.00 0.00 C ATOM 1249 CD GLU A 74 3.756 11.508 -9.557 1.00 0.00 C ATOM 1250 OE1 GLU A 74 2.844 12.193 -10.073 1.00 0.00 O ATOM 1251 OE2 GLU A 74 4.155 10.423 -10.041 1.00 0.00 O ATOM 0 H GLU A 74 4.862 9.447 -5.326 1.00 0.00 H new ATOM 0 HA GLU A 74 6.056 11.878 -6.115 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.915 10.092 -7.533 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.377 10.711 -6.967 1.00 0.00 H new ATOM 0 HG2 GLU A 74 3.899 12.923 -7.954 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.444 12.313 -8.511 1.00 0.00 H new ATOM 1258 N LEU A 75 3.219 12.176 -4.495 1.00 0.00 N ATOM 1259 CA LEU A 75 2.367 13.115 -3.769 1.00 0.00 C ATOM 1260 C LEU A 75 3.163 13.832 -2.683 1.00 0.00 C ATOM 1261 O LEU A 75 3.058 15.050 -2.517 1.00 0.00 O ATOM 1262 CB LEU A 75 1.221 12.347 -3.119 1.00 0.00 C ATOM 1263 CG LEU A 75 -0.170 12.409 -3.758 1.00 0.00 C ATOM 1264 CD1 LEU A 75 -0.177 12.118 -5.260 1.00 0.00 C ATOM 1265 CD2 LEU A 75 -1.037 11.395 -3.018 1.00 0.00 C ATOM 0 H LEU A 75 2.953 11.198 -4.378 1.00 0.00 H new ATOM 0 HA LEU A 75 1.980 13.855 -4.470 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.514 11.298 -3.069 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.128 12.701 -2.092 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.551 13.426 -3.668 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.197 12.181 -5.638 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.447 12.849 -5.775 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.215 11.117 -5.438 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.043 11.401 -3.438 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.605 10.400 -3.125 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.084 11.658 -1.961 1.00 0.00 H new ATOM 1277 N ARG A 76 3.972 13.076 -1.950 1.00 0.00 N ATOM 1278 CA ARG A 76 4.821 13.658 -0.902 1.00 0.00 C ATOM 1279 C ARG A 76 5.814 14.647 -1.515 1.00 0.00 C ATOM 1280 O ARG A 76 6.102 15.696 -0.940 1.00 0.00 O ATOM 1281 CB ARG A 76 5.563 12.538 -0.169 1.00 0.00 C ATOM 1282 CG ARG A 76 6.626 13.020 0.798 1.00 0.00 C ATOM 1283 CD ARG A 76 7.994 12.617 0.310 1.00 0.00 C ATOM 1284 NE ARG A 76 9.041 12.976 1.276 1.00 0.00 N ATOM 1285 CZ ARG A 76 10.345 12.839 1.069 1.00 0.00 C ATOM 1286 NH1 ARG A 76 10.835 12.368 -0.050 1.00 0.00 N ATOM 1287 NH2 ARG A 76 11.175 13.186 2.013 1.00 0.00 N ATOM 0 H ARG A 76 4.062 12.066 -2.056 1.00 0.00 H new ATOM 0 HA ARG A 76 4.197 14.198 -0.190 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.838 11.936 0.378 1.00 0.00 H new ATOM 0 HB3 ARG A 76 6.029 11.884 -0.906 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.572 14.104 0.898 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.446 12.599 1.787 1.00 0.00 H new ATOM 0 HD2 ARG A 76 8.015 11.542 0.133 1.00 0.00 H new ATOM 0 HD3 ARG A 76 8.198 13.102 -0.645 1.00 0.00 H new ATOM 0 HE ARG A 76 8.744 13.359 2.173 1.00 0.00 H new ATOM 0 HH11 ARG A 76 10.207 12.090 -0.804 1.00 0.00 H new ATOM 0 HH12 ARG A 76 11.844 12.279 -0.167 1.00 0.00 H new ATOM 0 HH21 ARG A 76 10.819 13.556 2.894 1.00 0.00 H new ATOM 0 HH22 ARG A 76 12.180 13.087 1.870 1.00 0.00 H new ATOM 1301 N GLU A 77 6.323 14.312 -2.689 1.00 0.00 N ATOM 1302 CA GLU A 77 7.250 15.173 -3.426 1.00 0.00 C ATOM 1303 C GLU A 77 6.473 16.234 -4.233 1.00 0.00 C ATOM 1304 O GLU A 77 7.026 16.910 -5.113 1.00 0.00 O ATOM 1305 CB GLU A 77 8.140 14.308 -4.340 1.00 0.00 C ATOM 1306 CG GLU A 77 9.350 13.690 -3.604 1.00 0.00 C ATOM 1307 CD GLU A 77 9.324 12.157 -3.517 1.00 0.00 C ATOM 1308 OE1 GLU A 77 9.404 11.632 -2.375 1.00 0.00 O ATOM 1309 OE2 GLU A 77 9.257 11.481 -4.563 1.00 0.00 O ATOM 0 H GLU A 77 6.108 13.435 -3.164 1.00 0.00 H new ATOM 0 HA GLU A 77 7.892 15.703 -2.723 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.538 13.508 -4.771 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.500 14.918 -5.169 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.264 13.998 -4.112 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.393 14.098 -2.594 1.00 0.00 H new ATOM 1316 N GLY A 78 5.191 16.377 -3.915 1.00 0.00 N ATOM 1317 CA GLY A 78 4.325 17.338 -4.570 1.00 0.00 C ATOM 1318 C GLY A 78 4.373 18.736 -3.973 1.00 0.00 C ATOM 1319 O GLY A 78 5.435 19.336 -3.815 1.00 0.00 O ATOM 0 H GLY A 78 4.726 15.826 -3.193 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.599 17.396 -5.623 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.299 16.973 -4.527 1.00 0.00 H new ATOM 1323 N THR A 79 3.203 19.278 -3.658 1.00 0.00 N ATOM 1324 CA THR A 79 3.084 20.655 -3.170 1.00 0.00 C ATOM 1325 C THR A 79 2.066 20.777 -2.048 1.00 0.00 C ATOM 1326 O THR A 79 1.275 19.870 -1.822 1.00 0.00 O ATOM 1327 CB THR A 79 2.584 21.594 -4.310 1.00 0.00 C ATOM 1328 OG1 THR A 79 1.337 21.119 -4.827 1.00 0.00 O ATOM 1329 CG2 THR A 79 3.573 21.651 -5.467 1.00 0.00 C ATOM 0 H THR A 79 2.314 18.784 -3.731 1.00 0.00 H new ATOM 0 HA THR A 79 4.076 20.935 -2.815 1.00 0.00 H new ATOM 0 HB THR A 79 2.475 22.589 -3.878 1.00 0.00 H new ATOM 0 HG1 THR A 79 1.030 21.716 -5.541 1.00 0.00 H new ATOM 0 HG21 THR A 79 3.189 22.315 -6.241 1.00 0.00 H new ATOM 0 HG22 THR A 79 4.531 22.027 -5.108 1.00 0.00 H new ATOM 0 HG23 THR A 79 3.707 20.651 -5.880 1.00 0.00 H new ATOM 1337 N GLU A 80 2.061 21.920 -1.369 1.00 0.00 N ATOM 1338 CA GLU A 80 0.992 22.235 -0.425 1.00 0.00 C ATOM 1339 C GLU A 80 -0.261 22.323 -1.275 1.00 0.00 C ATOM 1340 O GLU A 80 -0.240 23.016 -2.283 1.00 0.00 O ATOM 1341 CB GLU A 80 1.210 23.602 0.236 1.00 0.00 C ATOM 1342 CG GLU A 80 0.105 23.991 1.196 1.00 0.00 C ATOM 1343 CD GLU A 80 0.281 25.380 1.805 1.00 0.00 C ATOM 1344 OE1 GLU A 80 0.364 25.489 3.054 1.00 0.00 O ATOM 1345 OE2 GLU A 80 0.310 26.368 1.047 1.00 0.00 O ATOM 0 H GLU A 80 2.779 22.639 -1.453 1.00 0.00 H new ATOM 0 HA GLU A 80 0.943 21.487 0.366 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.159 23.590 0.772 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.291 24.363 -0.540 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.850 23.952 0.672 1.00 0.00 H new ATOM 0 HG3 GLU A 80 0.058 23.255 1.999 1.00 0.00 H new ATOM 1352 N ASN A 81 -1.321 21.638 -0.857 1.00 0.00 N ATOM 1353 CA ASN A 81 -2.621 21.605 -1.550 1.00 0.00 C ATOM 1354 C ASN A 81 -2.578 21.126 -3.008 1.00 0.00 C ATOM 1355 O ASN A 81 -1.518 20.862 -3.586 1.00 0.00 O ATOM 1356 CB ASN A 81 -3.370 22.958 -1.419 1.00 0.00 C ATOM 1357 CG ASN A 81 -2.935 24.005 -2.447 1.00 0.00 C ATOM 1358 OD1 ASN A 81 -3.087 23.838 -3.652 1.00 0.00 O ATOM 1359 ND2 ASN A 81 -2.414 25.104 -1.960 1.00 0.00 N ATOM 0 H ASN A 81 -1.308 21.074 -0.007 1.00 0.00 H new ATOM 0 HA ASN A 81 -3.187 20.834 -1.027 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -4.441 22.782 -1.524 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -3.209 23.357 -0.417 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.121 25.852 -2.589 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.301 25.212 -0.952 1.00 0.00 H new ATOM 1366 N GLU A 82 -3.761 21.007 -3.587 1.00 0.00 N ATOM 1367 CA GLU A 82 -3.923 20.544 -4.956 1.00 0.00 C ATOM 1368 C GLU A 82 -3.661 21.643 -5.995 1.00 0.00 C ATOM 1369 O GLU A 82 -4.530 22.011 -6.791 1.00 0.00 O ATOM 1370 CB GLU A 82 -5.316 19.940 -5.117 1.00 0.00 C ATOM 1371 CG GLU A 82 -5.532 18.779 -4.158 1.00 0.00 C ATOM 1372 CD GLU A 82 -6.665 17.876 -4.581 1.00 0.00 C ATOM 1373 OE1 GLU A 82 -6.397 16.686 -4.863 1.00 0.00 O ATOM 1374 OE2 GLU A 82 -7.819 18.345 -4.624 1.00 0.00 O ATOM 0 H GLU A 82 -4.640 21.230 -3.119 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.169 19.780 -5.146 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.070 20.707 -4.938 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.449 19.596 -6.143 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.614 18.195 -4.089 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.737 19.170 -3.161 1.00 0.00 H new ATOM 1479 N TYR A 88 -4.762 16.087 -8.670 1.00 0.00 N ATOM 1480 CA TYR A 88 -5.250 14.725 -8.553 1.00 0.00 C ATOM 1481 C TYR A 88 -4.717 14.106 -7.271 1.00 0.00 C ATOM 1482 O TYR A 88 -4.750 12.913 -7.109 1.00 0.00 O ATOM 1483 CB TYR A 88 -4.732 13.922 -9.757 1.00 0.00 C ATOM 1484 CG TYR A 88 -3.213 13.987 -9.913 1.00 0.00 C ATOM 1485 CD1 TYR A 88 -2.382 12.979 -9.377 1.00 0.00 C ATOM 1486 CD2 TYR A 88 -2.600 15.062 -10.601 1.00 0.00 C ATOM 1487 CE1 TYR A 88 -0.962 13.043 -9.522 1.00 0.00 C ATOM 1488 CE2 TYR A 88 -1.185 15.131 -10.737 1.00 0.00 C ATOM 1489 CZ TYR A 88 -0.381 14.119 -10.199 1.00 0.00 C ATOM 1490 OH TYR A 88 0.980 14.211 -10.366 1.00 0.00 O ATOM 0 HA TYR A 88 -6.340 14.716 -8.531 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -5.036 12.881 -9.649 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -5.201 14.299 -10.666 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.826 12.148 -8.850 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -3.215 15.840 -11.028 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -0.340 12.263 -9.110 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -0.732 15.963 -11.255 1.00 0.00 H new ATOM 0 HH TYR A 88 1.390 13.337 -10.196 1.00 0.00 H new ATOM 1500 N ALA A 89 -4.191 14.917 -6.366 1.00 0.00 N ATOM 1501 CA ALA A 89 -3.530 14.377 -5.185 1.00 0.00 C ATOM 1502 C ALA A 89 -4.458 13.596 -4.252 1.00 0.00 C ATOM 1503 O ALA A 89 -4.199 12.449 -3.924 1.00 0.00 O ATOM 1504 CB ALA A 89 -2.862 15.495 -4.420 1.00 0.00 C ATOM 0 H ALA A 89 -4.207 15.935 -6.423 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.793 13.661 -5.550 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.369 15.088 -3.537 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -2.123 15.981 -5.057 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.612 16.224 -4.113 1.00 0.00 H new ATOM 1510 N GLU A 90 -5.533 14.205 -3.802 1.00 0.00 N ATOM 1511 CA GLU A 90 -6.396 13.528 -2.842 1.00 0.00 C ATOM 1512 C GLU A 90 -7.267 12.519 -3.596 1.00 0.00 C ATOM 1513 O GLU A 90 -7.758 11.537 -3.034 1.00 0.00 O ATOM 1514 CB GLU A 90 -7.172 14.551 -2.019 1.00 0.00 C ATOM 1515 CG GLU A 90 -6.223 15.567 -1.310 1.00 0.00 C ATOM 1516 CD GLU A 90 -5.120 14.887 -0.470 1.00 0.00 C ATOM 1517 OE1 GLU A 90 -5.461 14.149 0.479 1.00 0.00 O ATOM 1518 OE2 GLU A 90 -3.901 15.095 -0.746 1.00 0.00 O ATOM 0 H GLU A 90 -5.831 15.142 -4.072 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.817 12.960 -2.113 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.862 15.090 -2.667 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.774 14.034 -1.272 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -5.757 16.204 -2.062 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.814 16.216 -0.664 1.00 0.00 H new ATOM 1525 N GLU A 91 -7.395 12.730 -4.898 1.00 0.00 N ATOM 1526 CA GLU A 91 -8.010 11.732 -5.767 1.00 0.00 C ATOM 1527 C GLU A 91 -7.086 10.506 -5.730 1.00 0.00 C ATOM 1528 O GLU A 91 -7.533 9.366 -5.746 1.00 0.00 O ATOM 1529 CB GLU A 91 -8.119 12.261 -7.204 1.00 0.00 C ATOM 1530 CG GLU A 91 -8.867 11.341 -8.156 1.00 0.00 C ATOM 1531 CD GLU A 91 -8.455 11.561 -9.604 1.00 0.00 C ATOM 1532 OE1 GLU A 91 -8.616 12.693 -10.120 1.00 0.00 O ATOM 1533 OE2 GLU A 91 -7.957 10.596 -10.228 1.00 0.00 O ATOM 0 H GLU A 91 -7.084 13.576 -5.375 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.018 11.488 -5.432 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.620 13.229 -7.185 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -7.115 12.429 -7.594 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.679 10.303 -7.880 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.939 11.509 -8.055 1.00 0.00 H new ATOM 1540 N GLU A 92 -5.783 10.741 -5.657 1.00 0.00 N ATOM 1541 CA GLU A 92 -4.834 9.643 -5.614 1.00 0.00 C ATOM 1542 C GLU A 92 -4.933 8.922 -4.278 1.00 0.00 C ATOM 1543 O GLU A 92 -4.631 7.744 -4.179 1.00 0.00 O ATOM 1544 CB GLU A 92 -3.412 10.138 -5.842 1.00 0.00 C ATOM 1545 CG GLU A 92 -2.521 9.138 -6.501 1.00 0.00 C ATOM 1546 CD GLU A 92 -2.788 9.007 -7.993 1.00 0.00 C ATOM 1547 OE1 GLU A 92 -2.011 9.573 -8.786 1.00 0.00 O ATOM 1548 OE2 GLU A 92 -3.754 8.314 -8.384 1.00 0.00 O ATOM 0 H GLU A 92 -5.365 11.671 -5.627 1.00 0.00 H new ATOM 0 HA GLU A 92 -5.081 8.947 -6.415 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.445 11.039 -6.454 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.978 10.420 -4.883 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.481 9.426 -6.346 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.657 8.167 -6.025 1.00 0.00 H new ATOM 1555 N LEU A 93 -5.382 9.617 -3.243 1.00 0.00 N ATOM 1556 CA LEU A 93 -5.589 8.975 -1.946 1.00 0.00 C ATOM 1557 C LEU A 93 -6.750 7.995 -2.100 1.00 0.00 C ATOM 1558 O LEU A 93 -6.720 6.896 -1.545 1.00 0.00 O ATOM 1559 CB LEU A 93 -5.901 10.001 -0.852 1.00 0.00 C ATOM 1560 CG LEU A 93 -6.035 9.430 0.570 1.00 0.00 C ATOM 1561 CD1 LEU A 93 -4.707 8.841 1.079 1.00 0.00 C ATOM 1562 CD2 LEU A 93 -6.522 10.534 1.505 1.00 0.00 C ATOM 0 H LEU A 93 -5.608 10.611 -3.270 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.679 8.458 -1.643 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -5.114 10.755 -0.850 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.830 10.510 -1.110 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.758 8.614 0.549 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.845 8.449 2.086 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.388 8.036 0.417 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.945 9.621 1.095 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.620 10.138 2.516 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.804 11.354 1.505 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -7.490 10.899 1.163 1.00 0.00 H new ATOM 1574 N GLU A 94 -7.757 8.373 -2.875 1.00 0.00 N ATOM 1575 CA GLU A 94 -8.868 7.453 -3.153 1.00 0.00 C ATOM 1576 C GLU A 94 -8.337 6.273 -3.991 1.00 0.00 C ATOM 1577 O GLU A 94 -8.750 5.131 -3.803 1.00 0.00 O ATOM 1578 CB GLU A 94 -10.017 8.166 -3.882 1.00 0.00 C ATOM 1579 CG GLU A 94 -10.732 9.230 -3.037 1.00 0.00 C ATOM 1580 CD GLU A 94 -11.867 8.647 -2.202 1.00 0.00 C ATOM 1581 OE1 GLU A 94 -13.039 9.012 -2.446 1.00 0.00 O ATOM 1582 OE2 GLU A 94 -11.602 7.811 -1.306 1.00 0.00 O ATOM 0 H GLU A 94 -7.835 9.289 -3.317 1.00 0.00 H new ATOM 0 HA GLU A 94 -9.270 7.083 -2.210 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -9.624 8.637 -4.783 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -10.746 7.422 -4.203 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -10.010 9.711 -2.377 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -11.129 10.004 -3.694 1.00 0.00 H new ATOM 1589 N GLN A 95 -7.397 6.535 -4.891 1.00 0.00 N ATOM 1590 CA GLN A 95 -6.758 5.459 -5.663 1.00 0.00 C ATOM 1591 C GLN A 95 -5.944 4.520 -4.756 1.00 0.00 C ATOM 1592 O GLN A 95 -5.830 3.337 -5.033 1.00 0.00 O ATOM 1593 CB GLN A 95 -5.824 6.031 -6.733 1.00 0.00 C ATOM 1594 CG GLN A 95 -6.367 5.969 -8.155 1.00 0.00 C ATOM 1595 CD GLN A 95 -7.329 7.095 -8.488 1.00 0.00 C ATOM 1596 OE1 GLN A 95 -8.538 6.915 -8.452 1.00 0.00 O ATOM 1597 NE2 GLN A 95 -6.798 8.242 -8.830 1.00 0.00 N ATOM 0 H GLN A 95 -7.058 7.472 -5.108 1.00 0.00 H new ATOM 0 HA GLN A 95 -7.561 4.895 -6.137 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -5.607 7.070 -6.487 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.878 5.490 -6.696 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -5.532 5.997 -8.855 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -6.873 5.015 -8.300 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -5.784 8.350 -8.847 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -7.399 9.028 -9.079 1.00 0.00 H new ATOM 1606 N VAL A 96 -5.389 5.033 -3.667 1.00 0.00 N ATOM 1607 CA VAL A 96 -4.644 4.204 -2.703 1.00 0.00 C ATOM 1608 C VAL A 96 -5.637 3.358 -1.906 1.00 0.00 C ATOM 1609 O VAL A 96 -5.374 2.185 -1.566 1.00 0.00 O ATOM 1610 CB VAL A 96 -3.791 5.092 -1.759 1.00 0.00 C ATOM 1611 CG1 VAL A 96 -3.207 4.280 -0.583 1.00 0.00 C ATOM 1612 CG2 VAL A 96 -2.654 5.743 -2.557 1.00 0.00 C ATOM 0 H VAL A 96 -5.436 6.022 -3.420 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.960 3.547 -3.240 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.441 5.861 -1.341 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.616 4.937 0.055 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.020 3.845 -0.002 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -2.572 3.484 -0.971 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.055 6.367 -1.894 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.024 4.967 -2.992 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.074 6.358 -3.353 1.00 0.00 H new ATOM 1622 N ARG A 97 -6.801 3.931 -1.636 1.00 0.00 N ATOM 1623 CA ARG A 97 -7.877 3.182 -0.998 1.00 0.00 C ATOM 1624 C ARG A 97 -8.177 2.006 -1.920 1.00 0.00 C ATOM 1625 O ARG A 97 -8.424 0.913 -1.449 1.00 0.00 O ATOM 1626 CB ARG A 97 -9.102 4.089 -0.769 1.00 0.00 C ATOM 1627 CG ARG A 97 -10.472 3.469 -1.100 1.00 0.00 C ATOM 1628 CD ARG A 97 -11.493 4.537 -1.396 1.00 0.00 C ATOM 1629 NE ARG A 97 -12.318 4.124 -2.537 1.00 0.00 N ATOM 1630 CZ ARG A 97 -13.239 4.864 -3.132 1.00 0.00 C ATOM 1631 NH1 ARG A 97 -13.513 6.086 -2.761 1.00 0.00 N ATOM 1632 NH2 ARG A 97 -13.886 4.348 -4.135 1.00 0.00 N ATOM 0 H ARG A 97 -7.025 4.904 -1.846 1.00 0.00 H new ATOM 0 HA ARG A 97 -7.597 2.817 -0.010 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -9.109 4.400 0.276 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -8.979 4.991 -1.369 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -10.376 2.805 -1.959 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -10.811 2.860 -0.262 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -12.122 4.706 -0.522 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -10.994 5.480 -1.617 1.00 0.00 H new ATOM 0 HE ARG A 97 -12.168 3.184 -2.903 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -13.008 6.508 -1.982 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -14.232 6.618 -3.251 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -13.677 3.398 -4.442 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -14.602 4.893 -4.615 1.00 0.00 H new ATOM 1646 N GLU A 98 -8.129 2.221 -3.229 1.00 0.00 N ATOM 1647 CA GLU A 98 -8.337 1.129 -4.181 1.00 0.00 C ATOM 1648 C GLU A 98 -7.104 0.215 -4.312 1.00 0.00 C ATOM 1649 O GLU A 98 -7.261 -0.945 -4.632 1.00 0.00 O ATOM 1650 CB GLU A 98 -8.777 1.657 -5.550 1.00 0.00 C ATOM 1651 CG GLU A 98 -10.166 2.320 -5.532 1.00 0.00 C ATOM 1652 CD GLU A 98 -11.271 1.391 -5.007 1.00 0.00 C ATOM 1653 OE1 GLU A 98 -11.274 0.188 -5.346 1.00 0.00 O ATOM 1654 OE2 GLU A 98 -12.151 1.881 -4.253 1.00 0.00 O ATOM 0 H GLU A 98 -7.950 3.130 -3.656 1.00 0.00 H new ATOM 0 HA GLU A 98 -9.143 0.517 -3.777 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -8.042 2.379 -5.906 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -8.785 0.833 -6.263 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -10.127 3.215 -4.911 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -10.421 2.643 -6.541 1.00 0.00 H new ATOM 1661 N ALA A 99 -5.899 0.700 -4.028 1.00 0.00 N ATOM 1662 CA ALA A 99 -4.703 -0.167 -3.941 1.00 0.00 C ATOM 1663 C ALA A 99 -5.038 -1.188 -2.840 1.00 0.00 C ATOM 1664 O ALA A 99 -4.887 -2.418 -2.993 1.00 0.00 O ATOM 1665 CB ALA A 99 -3.475 0.637 -3.541 1.00 0.00 C ATOM 0 H ALA A 99 -5.713 1.687 -3.852 1.00 0.00 H new ATOM 0 HA ALA A 99 -4.475 -0.636 -4.898 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -2.610 -0.024 -3.484 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -3.291 1.413 -4.284 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -3.643 1.099 -2.568 1.00 0.00 H new ATOM 1671 N LEU A 100 -5.509 -0.645 -1.720 1.00 0.00 N ATOM 1672 CA LEU A 100 -5.879 -1.468 -0.569 1.00 0.00 C ATOM 1673 C LEU A 100 -7.086 -2.357 -0.869 1.00 0.00 C ATOM 1674 O LEU A 100 -7.096 -3.516 -0.496 1.00 0.00 O ATOM 1675 CB LEU A 100 -6.183 -0.593 0.651 1.00 0.00 C ATOM 1676 CG LEU A 100 -5.022 -0.416 1.645 1.00 0.00 C ATOM 1677 CD1 LEU A 100 -3.862 0.407 1.063 1.00 0.00 C ATOM 1678 CD2 LEU A 100 -5.546 0.260 2.907 1.00 0.00 C ATOM 0 H LEU A 100 -5.643 0.357 -1.584 1.00 0.00 H new ATOM 0 HA LEU A 100 -5.025 -2.110 -0.352 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.493 0.392 0.302 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -7.031 -1.024 1.183 1.00 0.00 H new ATOM 0 HG LEU A 100 -4.628 -1.407 1.871 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.072 0.499 1.808 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.469 -0.093 0.178 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -4.221 1.399 0.790 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -4.729 0.389 3.617 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -5.962 1.235 2.652 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -6.322 -0.360 3.356 1.00 0.00 H new ATOM 1690 N ARG A 101 -8.097 -1.835 -1.547 1.00 0.00 N ATOM 1691 CA ARG A 101 -9.275 -2.641 -1.890 1.00 0.00 C ATOM 1692 C ARG A 101 -8.914 -3.718 -2.897 1.00 0.00 C ATOM 1693 O ARG A 101 -9.464 -4.798 -2.850 1.00 0.00 O ATOM 1694 CB ARG A 101 -10.409 -1.766 -2.441 1.00 0.00 C ATOM 1695 CG ARG A 101 -11.753 -1.980 -1.728 1.00 0.00 C ATOM 1696 CD ARG A 101 -12.379 -3.351 -2.036 1.00 0.00 C ATOM 1697 NE ARG A 101 -12.597 -4.147 -0.812 1.00 0.00 N ATOM 1698 CZ ARG A 101 -13.125 -5.365 -0.767 1.00 0.00 C ATOM 1699 NH1 ARG A 101 -13.489 -6.021 -1.838 1.00 0.00 N ATOM 1700 NH2 ARG A 101 -13.288 -5.931 0.384 1.00 0.00 N ATOM 0 H ARG A 101 -8.133 -0.868 -1.871 1.00 0.00 H new ATOM 0 HA ARG A 101 -9.625 -3.117 -0.974 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -10.123 -0.718 -2.353 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -10.534 -1.974 -3.504 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -11.607 -1.886 -0.652 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -12.447 -1.194 -2.026 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -13.330 -3.208 -2.550 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -11.729 -3.902 -2.716 1.00 0.00 H new ATOM 0 HE ARG A 101 -12.319 -3.726 0.074 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -13.372 -5.599 -2.759 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -13.890 -6.955 -1.752 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -13.013 -5.442 1.236 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -13.692 -6.866 0.440 1.00 0.00 H new ATOM 1714 N LYS A 102 -7.982 -3.441 -3.794 1.00 0.00 N ATOM 1715 CA LYS A 102 -7.502 -4.442 -4.751 1.00 0.00 C ATOM 1716 C LYS A 102 -6.883 -5.566 -3.947 1.00 0.00 C ATOM 1717 O LYS A 102 -7.165 -6.734 -4.202 1.00 0.00 O ATOM 1718 CB LYS A 102 -6.484 -3.798 -5.721 1.00 0.00 C ATOM 1719 CG LYS A 102 -5.830 -4.723 -6.787 1.00 0.00 C ATOM 1720 CD LYS A 102 -4.680 -5.632 -6.270 1.00 0.00 C ATOM 1721 CE LYS A 102 -3.545 -4.863 -5.564 1.00 0.00 C ATOM 1722 NZ LYS A 102 -2.461 -5.811 -5.132 1.00 0.00 N ATOM 0 H LYS A 102 -7.537 -2.528 -3.885 1.00 0.00 H new ATOM 0 HA LYS A 102 -8.314 -4.834 -5.363 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -6.985 -2.983 -6.243 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -5.687 -3.353 -5.126 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -6.605 -5.357 -7.217 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -5.443 -4.101 -7.594 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -5.093 -6.366 -5.578 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -4.262 -6.186 -7.111 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -3.133 -4.111 -6.237 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -3.940 -4.333 -4.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -1.799 -5.317 -4.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -2.884 -6.616 -4.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -1.949 -6.157 -5.968 1.00 0.00 H new ATOM 1736 N ALA A 103 -6.055 -5.214 -2.971 1.00 0.00 N ATOM 1737 CA ALA A 103 -5.426 -6.221 -2.120 1.00 0.00 C ATOM 1738 C ALA A 103 -6.499 -7.025 -1.365 1.00 0.00 C ATOM 1739 O ALA A 103 -6.526 -8.257 -1.386 1.00 0.00 O ATOM 1740 CB ALA A 103 -4.475 -5.537 -1.129 1.00 0.00 C ATOM 0 H ALA A 103 -5.804 -4.251 -2.749 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.855 -6.910 -2.743 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.007 -6.290 -0.495 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.705 -4.996 -1.678 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.037 -4.839 -0.508 1.00 0.00 H new ATOM 1746 N GLU A 104 -7.391 -6.311 -0.708 1.00 0.00 N ATOM 1747 CA GLU A 104 -8.444 -6.932 0.076 1.00 0.00 C ATOM 1748 C GLU A 104 -9.316 -7.842 -0.787 1.00 0.00 C ATOM 1749 O GLU A 104 -9.700 -8.912 -0.358 1.00 0.00 O ATOM 1750 CB GLU A 104 -9.284 -5.839 0.738 1.00 0.00 C ATOM 1751 CG GLU A 104 -10.198 -6.342 1.828 1.00 0.00 C ATOM 1752 CD GLU A 104 -10.889 -5.203 2.560 1.00 0.00 C ATOM 1753 OE1 GLU A 104 -10.830 -5.184 3.803 1.00 0.00 O ATOM 1754 OE2 GLU A 104 -11.501 -4.331 1.894 1.00 0.00 O ATOM 0 H GLU A 104 -7.408 -5.291 -0.701 1.00 0.00 H new ATOM 0 HA GLU A 104 -7.992 -7.558 0.845 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.617 -5.086 1.157 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.884 -5.344 -0.025 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -10.949 -7.004 1.396 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -9.623 -6.934 2.539 1.00 0.00 H new ATOM 1761 N LYS A 105 -9.612 -7.421 -2.008 1.00 0.00 N ATOM 1762 CA LYS A 105 -10.436 -8.212 -2.924 1.00 0.00 C ATOM 1763 C LYS A 105 -9.726 -9.462 -3.423 1.00 0.00 C ATOM 1764 O LYS A 105 -10.342 -10.521 -3.534 1.00 0.00 O ATOM 1765 CB LYS A 105 -10.857 -7.353 -4.115 1.00 0.00 C ATOM 1766 CG LYS A 105 -11.913 -8.001 -4.984 1.00 0.00 C ATOM 1767 CD LYS A 105 -12.293 -7.087 -6.126 1.00 0.00 C ATOM 1768 CE LYS A 105 -13.400 -7.710 -6.957 1.00 0.00 C ATOM 1769 NZ LYS A 105 -13.770 -6.819 -8.106 1.00 0.00 N ATOM 0 H LYS A 105 -9.294 -6.532 -2.393 1.00 0.00 H new ATOM 0 HA LYS A 105 -11.312 -8.539 -2.364 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -11.235 -6.398 -3.749 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -9.980 -7.136 -4.724 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -11.539 -8.947 -5.376 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -12.794 -8.230 -4.385 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -12.621 -6.124 -5.735 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -11.422 -6.897 -6.753 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -13.076 -8.680 -7.333 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -14.275 -7.886 -6.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -14.529 -7.265 -8.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -14.100 -5.902 -7.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -12.938 -6.672 -8.713 1.00 0.00 H new ATOM 1783 N GLU A 106 -8.439 -9.375 -3.727 1.00 0.00 N ATOM 1784 CA GLU A 106 -7.743 -10.582 -4.159 1.00 0.00 C ATOM 1785 C GLU A 106 -7.657 -11.492 -2.931 1.00 0.00 C ATOM 1786 O GLU A 106 -7.842 -12.692 -3.049 1.00 0.00 O ATOM 1787 CB GLU A 106 -6.381 -10.307 -4.841 1.00 0.00 C ATOM 1788 CG GLU A 106 -5.275 -9.751 -3.962 1.00 0.00 C ATOM 1789 CD GLU A 106 -4.015 -9.393 -4.747 1.00 0.00 C ATOM 1790 OE1 GLU A 106 -3.477 -10.256 -5.470 1.00 0.00 O ATOM 1791 OE2 GLU A 106 -3.551 -8.235 -4.630 1.00 0.00 O ATOM 0 H GLU A 106 -7.876 -8.526 -3.687 1.00 0.00 H new ATOM 0 HA GLU A 106 -8.298 -11.079 -4.955 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.028 -11.239 -5.282 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -6.547 -9.608 -5.661 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -5.640 -8.863 -3.446 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -5.023 -10.484 -3.196 1.00 0.00 H new ATOM 1798 N LEU A 107 -7.431 -10.928 -1.748 1.00 0.00 N ATOM 1799 CA LEU A 107 -7.407 -11.747 -0.527 1.00 0.00 C ATOM 1800 C LEU A 107 -8.764 -12.395 -0.241 1.00 0.00 C ATOM 1801 O LEU A 107 -8.821 -13.532 0.233 1.00 0.00 O ATOM 1802 CB LEU A 107 -6.968 -10.905 0.666 1.00 0.00 C ATOM 1803 CG LEU A 107 -5.485 -10.516 0.618 1.00 0.00 C ATOM 1804 CD1 LEU A 107 -5.230 -9.404 1.617 1.00 0.00 C ATOM 1805 CD2 LEU A 107 -4.592 -11.736 0.891 1.00 0.00 C ATOM 0 H LEU A 107 -7.265 -9.932 -1.603 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.688 -12.550 -0.690 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -7.573 -9.999 0.706 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -7.162 -11.459 1.585 1.00 0.00 H new ATOM 0 HG LEU A 107 -5.235 -10.155 -0.380 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -4.177 -9.123 1.588 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -5.844 -8.539 1.364 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -5.486 -9.749 2.619 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -3.545 -11.436 0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.818 -12.138 1.879 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.779 -12.500 0.136 1.00 0.00 H new ATOM 1817 N GLU A 108 -9.851 -11.698 -0.544 1.00 0.00 N ATOM 1818 CA GLU A 108 -11.192 -12.270 -0.402 1.00 0.00 C ATOM 1819 C GLU A 108 -11.253 -13.501 -1.289 1.00 0.00 C ATOM 1820 O GLU A 108 -11.673 -14.567 -0.853 1.00 0.00 O ATOM 1821 CB GLU A 108 -12.283 -11.282 -0.849 1.00 0.00 C ATOM 1822 CG GLU A 108 -12.688 -10.248 0.196 1.00 0.00 C ATOM 1823 CD GLU A 108 -13.622 -9.169 -0.372 1.00 0.00 C ATOM 1824 OE1 GLU A 108 -13.625 -8.924 -1.604 1.00 0.00 O ATOM 1825 OE2 GLU A 108 -14.353 -8.546 0.425 1.00 0.00 O ATOM 0 H GLU A 108 -9.836 -10.738 -0.889 1.00 0.00 H new ATOM 0 HA GLU A 108 -11.371 -12.510 0.646 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -11.934 -10.758 -1.739 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -13.168 -11.849 -1.139 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -13.183 -10.751 1.027 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -11.793 -9.773 0.598 1.00 0.00 H new ATOM 1832 N SER A 109 -10.819 -13.366 -2.536 1.00 0.00 N ATOM 1833 CA SER A 109 -10.861 -14.494 -3.463 1.00 0.00 C ATOM 1834 C SER A 109 -9.975 -15.650 -2.999 1.00 0.00 C ATOM 1835 O SER A 109 -10.315 -16.804 -3.208 1.00 0.00 O ATOM 1836 CB SER A 109 -10.484 -14.057 -4.884 1.00 0.00 C ATOM 1837 OG SER A 109 -9.113 -13.718 -5.020 1.00 0.00 O ATOM 0 H SER A 109 -10.440 -12.503 -2.926 1.00 0.00 H new ATOM 0 HA SER A 109 -11.889 -14.856 -3.477 1.00 0.00 H new ATOM 0 HB2 SER A 109 -10.723 -14.861 -5.580 1.00 0.00 H new ATOM 0 HB3 SER A 109 -11.093 -13.199 -5.167 1.00 0.00 H new ATOM 0 HG SER A 109 -8.732 -13.537 -4.136 1.00 0.00 H new ATOM 1843 N HIS A 110 -8.862 -15.358 -2.338 1.00 0.00 N ATOM 1844 CA HIS A 110 -7.936 -16.415 -1.934 1.00 0.00 C ATOM 1845 C HIS A 110 -8.467 -17.128 -0.704 1.00 0.00 C ATOM 1846 O HIS A 110 -8.069 -18.247 -0.418 1.00 0.00 O ATOM 1847 CB HIS A 110 -6.567 -15.832 -1.567 1.00 0.00 C ATOM 1848 CG HIS A 110 -5.909 -15.076 -2.677 1.00 0.00 C ATOM 1849 ND1 HIS A 110 -5.957 -15.430 -4.001 1.00 0.00 N ATOM 1850 CD2 HIS A 110 -5.151 -13.944 -2.643 1.00 0.00 C ATOM 1851 CE1 HIS A 110 -5.271 -14.532 -4.696 1.00 0.00 C ATOM 1852 NE2 HIS A 110 -4.743 -13.607 -3.916 1.00 0.00 N ATOM 0 H HIS A 110 -8.579 -14.415 -2.072 1.00 0.00 H new ATOM 0 HA HIS A 110 -7.838 -17.103 -2.774 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -6.684 -15.169 -0.710 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -5.910 -16.644 -1.255 1.00 0.00 H new ATOM 0 HD1 HIS A 110 -6.437 -16.244 -4.385 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -4.905 -13.391 -1.748 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -5.158 -14.555 -5.770 1.00 0.00 H new ATOM 1860 N SER A 111 -9.374 -16.486 0.013 1.00 0.00 N ATOM 1861 CA SER A 111 -10.004 -17.095 1.182 1.00 0.00 C ATOM 1862 C SER A 111 -11.364 -17.707 0.825 1.00 0.00 C ATOM 1863 O SER A 111 -11.879 -18.547 1.556 1.00 0.00 O ATOM 1864 CB SER A 111 -10.177 -16.042 2.275 1.00 0.00 C ATOM 1865 OG SER A 111 -10.809 -14.883 1.756 1.00 0.00 O ATOM 0 H SER A 111 -9.694 -15.539 -0.192 1.00 0.00 H new ATOM 0 HA SER A 111 -9.359 -17.897 1.542 1.00 0.00 H new ATOM 0 HB2 SER A 111 -10.771 -16.452 3.092 1.00 0.00 H new ATOM 0 HB3 SER A 111 -9.204 -15.778 2.690 1.00 0.00 H new ATOM 0 HG SER A 111 -10.148 -14.333 1.286 1.00 0.00 H new ATOM 1871 N SER A 112 -11.941 -17.296 -0.299 1.00 0.00 N ATOM 1872 CA SER A 112 -13.257 -17.802 -0.713 1.00 0.00 C ATOM 1873 C SER A 112 -13.249 -19.049 -1.599 1.00 0.00 C ATOM 1874 O SER A 112 -14.287 -19.705 -1.732 1.00 0.00 O ATOM 1875 CB SER A 112 -14.015 -16.710 -1.468 1.00 0.00 C ATOM 1876 OG SER A 112 -14.177 -15.558 -0.660 1.00 0.00 O ATOM 0 H SER A 112 -11.527 -16.619 -0.940 1.00 0.00 H new ATOM 0 HA SER A 112 -13.736 -18.090 0.223 1.00 0.00 H new ATOM 0 HB2 SER A 112 -13.474 -16.448 -2.377 1.00 0.00 H new ATOM 0 HB3 SER A 112 -14.992 -17.085 -1.774 1.00 0.00 H new ATOM 0 HG SER A 112 -13.310 -15.117 -0.541 1.00 0.00 H new ATOM 1882 N TRP A 113 -12.127 -19.388 -2.222 1.00 0.00 N ATOM 1883 CA TRP A 113 -12.113 -20.538 -3.135 1.00 0.00 C ATOM 1884 C TRP A 113 -12.048 -21.918 -2.466 1.00 0.00 C ATOM 1885 O TRP A 113 -11.002 -22.570 -2.438 1.00 0.00 O ATOM 1886 CB TRP A 113 -10.996 -20.431 -4.177 1.00 0.00 C ATOM 1887 CG TRP A 113 -11.190 -19.346 -5.209 1.00 0.00 C ATOM 1888 CD1 TRP A 113 -10.266 -18.444 -5.624 1.00 0.00 C ATOM 1889 CD2 TRP A 113 -12.373 -19.066 -5.996 1.00 0.00 C ATOM 1890 NE1 TRP A 113 -10.764 -17.610 -6.577 1.00 0.00 N ATOM 1891 CE2 TRP A 113 -12.061 -17.956 -6.837 1.00 0.00 C ATOM 1892 CE3 TRP A 113 -13.662 -19.640 -6.081 1.00 0.00 C ATOM 1893 CZ2 TRP A 113 -12.995 -17.407 -7.742 1.00 0.00 C ATOM 1894 CZ3 TRP A 113 -14.603 -19.090 -6.990 1.00 0.00 C ATOM 1895 CH2 TRP A 113 -14.257 -17.973 -7.806 1.00 0.00 C ATOM 0 H TRP A 113 -11.235 -18.903 -2.121 1.00 0.00 H new ATOM 0 HA TRP A 113 -13.089 -20.479 -3.618 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -10.053 -20.256 -3.660 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -10.905 -21.388 -4.690 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -9.256 -18.394 -5.244 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -10.252 -16.850 -7.025 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -13.927 -20.485 -5.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -12.732 -16.567 -8.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -15.590 -19.521 -7.064 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -14.990 -17.562 -8.484 1.00 0.00 H new