USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 687 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 81 HIS : no HD1:sc= 0.466 K(o=2.1,f=-0.39) USER MOD Set 1.2: A 85 ASN : amide:sc= 1.67 K(o=2.1,f=-0.36) USER MOD Set 2.1: A 20 SER OG : rot 156:sc= 1.32 USER MOD Set 2.2: A 46 SER OG : rot -120:sc= 0.99 USER MOD Set 3.1: A 14 HIS : no HD1:sc= -0.4 X(o=0.47,f=0.82) USER MOD Set 3.2: A 87 GLN : amide:sc= 0.873 K(o=0.47,f=-0.44) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl -177:sc= 0 (180deg=-0.00738) USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-4.7!) USER MOD Single : A 44 MET CE :methyl 143:sc= -0.161 (180deg=-0.873) USER MOD Single : A 54 HIS : no HD1:sc= -0.245 X(o=-0.25,f=-0.05) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= -0.127 K(o=-0.13,f=-0.69) USER MOD Single : A 74 TYR OH : rot 160:sc= -0.0704 USER MOD Single : A 79 MET CE :methyl -161:sc= -1.12 (180deg=-2.07!) USER MOD Single : A 80 HIS : no HD1:sc= -0.0197 X(o=-0.02,f=0) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 175:sc= -0.132 (180deg=-0.22) USER MOD ----------------------------------------------------------------- ATOM 66 N TYR A 8 -14.277 -8.379 11.265 1.00 0.00 N ATOM 67 CA TYR A 8 -13.345 -8.407 10.148 1.00 0.00 C ATOM 68 C TYR A 8 -11.970 -8.873 10.616 1.00 0.00 C ATOM 69 O TYR A 8 -11.648 -8.792 11.804 1.00 0.00 O ATOM 70 CB TYR A 8 -13.292 -7.047 9.437 1.00 0.00 C ATOM 71 CG TYR A 8 -12.557 -5.983 10.195 1.00 0.00 C ATOM 72 CD1 TYR A 8 -11.176 -5.853 10.001 1.00 0.00 C ATOM 73 CD2 TYR A 8 -13.251 -5.112 11.043 1.00 0.00 C ATOM 74 CE1 TYR A 8 -10.467 -4.824 10.635 1.00 0.00 C ATOM 75 CE2 TYR A 8 -12.553 -4.071 11.681 1.00 0.00 C ATOM 76 CZ TYR A 8 -11.164 -3.907 11.452 1.00 0.00 C ATOM 77 OH TYR A 8 -10.521 -2.806 11.921 1.00 0.00 O ATOM 0 HA TYR A 8 -13.700 -9.128 9.412 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -12.818 -7.177 8.464 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -14.311 -6.707 9.252 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -10.655 -6.549 9.360 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -14.311 -5.238 11.206 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -9.399 -4.733 10.500 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -13.075 -3.397 12.345 1.00 0.00 H new ATOM 0 HH TYR A 8 -11.138 -2.275 12.467 1.00 0.00 H new ATOM 87 N LYS A 9 -11.150 -9.327 9.674 1.00 0.00 N ATOM 88 CA LYS A 9 -9.764 -9.671 9.913 1.00 0.00 C ATOM 89 C LYS A 9 -8.932 -8.825 8.970 1.00 0.00 C ATOM 90 O LYS A 9 -9.364 -8.598 7.835 1.00 0.00 O ATOM 91 CB LYS A 9 -9.585 -11.176 9.661 1.00 0.00 C ATOM 92 CG LYS A 9 -8.503 -11.748 10.578 1.00 0.00 C ATOM 93 CD LYS A 9 -8.442 -13.277 10.503 1.00 0.00 C ATOM 94 CE LYS A 9 -7.909 -13.786 9.165 1.00 0.00 C ATOM 95 NZ LYS A 9 -7.805 -15.257 9.175 1.00 0.00 N ATOM 0 H LYS A 9 -11.441 -9.467 8.707 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.450 -9.473 10.938 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.528 -11.694 9.834 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -9.314 -11.347 8.619 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.535 -11.332 10.301 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.699 -11.442 11.606 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.807 -13.650 11.307 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.439 -13.684 10.670 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -8.570 -13.468 8.359 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.931 -13.348 8.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.441 -15.586 8.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.156 -15.554 9.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.744 -15.670 9.343 1.00 0.00 H new ATOM 109 N GLU A 10 -7.782 -8.351 9.428 1.00 0.00 N ATOM 110 CA GLU A 10 -6.758 -7.779 8.564 1.00 0.00 C ATOM 111 C GLU A 10 -5.928 -8.939 7.998 1.00 0.00 C ATOM 112 O GLU A 10 -5.914 -10.039 8.560 1.00 0.00 O ATOM 113 CB GLU A 10 -5.853 -6.830 9.380 1.00 0.00 C ATOM 114 CG GLU A 10 -6.077 -5.356 9.030 1.00 0.00 C ATOM 115 CD GLU A 10 -5.171 -4.406 9.832 1.00 0.00 C ATOM 116 OE1 GLU A 10 -3.955 -4.675 10.005 1.00 0.00 O ATOM 117 OE2 GLU A 10 -5.694 -3.352 10.265 1.00 0.00 O ATOM 0 H GLU A 10 -7.531 -8.352 10.417 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.213 -7.206 7.756 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.041 -6.980 10.443 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.809 -7.087 9.202 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.897 -5.209 7.965 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.120 -5.098 9.215 1.00 0.00 H new ATOM 124 N LEU A 11 -5.234 -8.687 6.889 1.00 0.00 N ATOM 125 CA LEU A 11 -4.132 -9.489 6.386 1.00 0.00 C ATOM 126 C LEU A 11 -3.069 -8.529 5.870 1.00 0.00 C ATOM 127 O LEU A 11 -3.385 -7.484 5.302 1.00 0.00 O ATOM 128 CB LEU A 11 -4.545 -10.428 5.240 1.00 0.00 C ATOM 129 CG LEU A 11 -5.376 -11.652 5.667 1.00 0.00 C ATOM 130 CD1 LEU A 11 -6.884 -11.389 5.540 1.00 0.00 C ATOM 131 CD2 LEU A 11 -5.022 -12.837 4.762 1.00 0.00 C ATOM 0 H LEU A 11 -5.437 -7.883 6.295 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.770 -10.119 7.198 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.118 -9.856 4.510 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.645 -10.778 4.735 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.144 -11.864 6.711 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.436 -12.276 5.851 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.162 -10.548 6.176 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.127 -11.155 4.503 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.606 -13.708 5.058 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.247 -12.584 3.726 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.960 -13.063 4.857 1.00 0.00 H new ATOM 143 N ASP A 12 -1.810 -8.909 5.999 1.00 0.00 N ATOM 144 CA ASP A 12 -0.640 -8.204 5.491 1.00 0.00 C ATOM 145 C ASP A 12 -0.146 -8.893 4.231 1.00 0.00 C ATOM 146 O ASP A 12 -0.111 -10.125 4.174 1.00 0.00 O ATOM 147 CB ASP A 12 0.476 -8.207 6.548 1.00 0.00 C ATOM 148 CG ASP A 12 0.804 -9.609 7.079 1.00 0.00 C ATOM 149 OD1 ASP A 12 -0.003 -10.139 7.879 1.00 0.00 O ATOM 150 OD2 ASP A 12 1.881 -10.172 6.770 1.00 0.00 O ATOM 0 H ASP A 12 -1.559 -9.768 6.489 1.00 0.00 H new ATOM 0 HA ASP A 12 -0.913 -7.173 5.264 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.376 -7.769 6.117 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.179 -7.570 7.382 1.00 0.00 H new ATOM 155 N VAL A 13 0.251 -8.111 3.224 1.00 0.00 N ATOM 156 CA VAL A 13 0.953 -8.611 2.050 1.00 0.00 C ATOM 157 C VAL A 13 2.073 -7.617 1.745 1.00 0.00 C ATOM 158 O VAL A 13 1.843 -6.524 1.221 1.00 0.00 O ATOM 159 CB VAL A 13 -0.048 -8.778 0.889 1.00 0.00 C ATOM 160 CG1 VAL A 13 0.644 -9.175 -0.425 1.00 0.00 C ATOM 161 CG2 VAL A 13 -1.055 -9.898 1.195 1.00 0.00 C ATOM 0 H VAL A 13 0.090 -7.104 3.205 1.00 0.00 H new ATOM 0 HA VAL A 13 1.395 -9.594 2.213 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.537 -7.810 0.782 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.103 -9.280 -1.212 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.361 -8.404 -0.706 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.165 -10.123 -0.290 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.752 -9.998 0.363 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.522 -10.838 1.337 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.607 -9.653 2.102 1.00 0.00 H new ATOM 171 N HIS A 14 3.311 -8.022 2.021 1.00 0.00 N ATOM 172 CA HIS A 14 4.504 -7.256 1.699 1.00 0.00 C ATOM 173 C HIS A 14 5.119 -7.845 0.430 1.00 0.00 C ATOM 174 O HIS A 14 5.148 -9.065 0.252 1.00 0.00 O ATOM 175 CB HIS A 14 5.450 -7.276 2.904 1.00 0.00 C ATOM 176 CG HIS A 14 6.615 -6.327 2.813 1.00 0.00 C ATOM 177 ND1 HIS A 14 7.720 -6.470 2.003 1.00 0.00 N ATOM 178 CD2 HIS A 14 6.849 -5.272 3.652 1.00 0.00 C ATOM 179 CE1 HIS A 14 8.603 -5.517 2.345 1.00 0.00 C ATOM 180 NE2 HIS A 14 8.122 -4.776 3.355 1.00 0.00 N ATOM 0 H HIS A 14 3.512 -8.909 2.483 1.00 0.00 H new ATOM 0 HA HIS A 14 4.278 -6.209 1.498 1.00 0.00 H new ATOM 0 HB2 HIS A 14 4.877 -7.040 3.801 1.00 0.00 H new ATOM 0 HB3 HIS A 14 5.834 -8.288 3.029 1.00 0.00 H new ATOM 0 HD2 HIS A 14 6.175 -4.892 4.405 1.00 0.00 H new ATOM 0 HE1 HIS A 14 9.563 -5.368 1.874 1.00 0.00 H new ATOM 0 HE2 HIS A 14 8.595 -3.999 3.818 1.00 0.00 H new ATOM 188 N LEU A 15 5.598 -6.989 -0.474 1.00 0.00 N ATOM 189 CA LEU A 15 6.134 -7.395 -1.777 1.00 0.00 C ATOM 190 C LEU A 15 7.436 -6.662 -2.054 1.00 0.00 C ATOM 191 O LEU A 15 7.624 -5.519 -1.643 1.00 0.00 O ATOM 192 CB LEU A 15 5.148 -7.083 -2.910 1.00 0.00 C ATOM 193 CG LEU A 15 3.779 -7.772 -2.815 1.00 0.00 C ATOM 194 CD1 LEU A 15 2.840 -7.087 -3.807 1.00 0.00 C ATOM 195 CD2 LEU A 15 3.830 -9.261 -3.159 1.00 0.00 C ATOM 0 H LEU A 15 5.626 -5.981 -0.321 1.00 0.00 H new ATOM 0 HA LEU A 15 6.303 -8.471 -1.741 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.989 -6.005 -2.941 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.610 -7.365 -3.856 1.00 0.00 H new ATOM 0 HG LEU A 15 3.437 -7.687 -1.784 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.857 -7.557 -3.762 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.750 -6.031 -3.553 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.242 -7.184 -4.815 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.831 -9.689 -3.073 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.192 -9.386 -4.180 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.504 -9.771 -2.470 1.00 0.00 H new ATOM 207 N ARG A 16 8.331 -7.296 -2.806 1.00 0.00 N ATOM 208 CA ARG A 16 9.665 -6.786 -3.106 1.00 0.00 C ATOM 209 C ARG A 16 9.656 -6.115 -4.476 1.00 0.00 C ATOM 210 O ARG A 16 8.894 -6.523 -5.362 1.00 0.00 O ATOM 211 CB ARG A 16 10.672 -7.951 -3.077 1.00 0.00 C ATOM 212 CG ARG A 16 10.813 -8.626 -1.700 1.00 0.00 C ATOM 213 CD ARG A 16 9.665 -9.577 -1.317 1.00 0.00 C ATOM 214 NE ARG A 16 10.002 -10.440 -0.176 1.00 0.00 N ATOM 215 CZ ARG A 16 9.207 -11.387 0.343 1.00 0.00 C ATOM 216 NH1 ARG A 16 7.986 -11.587 -0.140 1.00 0.00 N ATOM 217 NH2 ARG A 16 9.635 -12.151 1.336 1.00 0.00 N ATOM 0 H ARG A 16 8.143 -8.202 -3.235 1.00 0.00 H new ATOM 0 HA ARG A 16 9.960 -6.048 -2.360 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.366 -8.700 -3.807 1.00 0.00 H new ATOM 0 HB3 ARG A 16 11.648 -7.581 -3.390 1.00 0.00 H new ATOM 0 HG2 ARG A 16 11.748 -9.185 -1.681 1.00 0.00 H new ATOM 0 HG3 ARG A 16 10.890 -7.850 -0.939 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.778 -8.991 -1.075 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.412 -10.199 -2.176 1.00 0.00 H new ATOM 0 HE ARG A 16 10.916 -10.308 0.257 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.644 -11.017 -0.914 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.390 -12.310 0.263 1.00 0.00 H new ATOM 0 HH21 ARG A 16 10.575 -12.021 1.711 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.025 -12.869 1.726 1.00 0.00 H new ATOM 231 N ARG A 17 10.525 -5.121 -4.691 1.00 0.00 N ATOM 232 CA ARG A 17 10.686 -4.420 -5.957 1.00 0.00 C ATOM 233 C ARG A 17 12.158 -4.478 -6.370 1.00 0.00 C ATOM 234 O ARG A 17 12.907 -3.512 -6.209 1.00 0.00 O ATOM 235 CB ARG A 17 10.183 -2.977 -5.844 1.00 0.00 C ATOM 236 CG ARG A 17 10.021 -2.365 -7.227 1.00 0.00 C ATOM 237 CD ARG A 17 9.778 -0.866 -7.149 1.00 0.00 C ATOM 238 NE ARG A 17 9.758 -0.304 -8.510 1.00 0.00 N ATOM 239 CZ ARG A 17 10.843 0.174 -9.131 1.00 0.00 C ATOM 240 NH1 ARG A 17 11.861 0.643 -8.416 1.00 0.00 N ATOM 241 NH2 ARG A 17 10.894 0.168 -10.459 1.00 0.00 N ATOM 0 H ARG A 17 11.151 -4.777 -3.963 1.00 0.00 H new ATOM 0 HA ARG A 17 10.087 -4.904 -6.728 1.00 0.00 H new ATOM 0 HB2 ARG A 17 9.230 -2.957 -5.316 1.00 0.00 H new ATOM 0 HB3 ARG A 17 10.885 -2.385 -5.257 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.916 -2.559 -7.819 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.188 -2.843 -7.742 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.832 -0.665 -6.646 1.00 0.00 H new ATOM 0 HD3 ARG A 17 10.560 -0.390 -6.558 1.00 0.00 H new ATOM 0 HE ARG A 17 8.868 -0.278 -9.007 1.00 0.00 H new ATOM 0 HH11 ARG A 17 11.814 0.638 -7.397 1.00 0.00 H new ATOM 0 HH12 ARG A 17 12.689 1.008 -8.886 1.00 0.00 H new ATOM 0 HH21 ARG A 17 10.110 -0.199 -10.998 1.00 0.00 H new ATOM 0 HH22 ARG A 17 11.717 0.531 -10.939 1.00 0.00 H new ATOM 255 N MET A 18 12.589 -5.626 -6.879 1.00 0.00 N ATOM 256 CA MET A 18 13.921 -5.795 -7.463 1.00 0.00 C ATOM 257 C MET A 18 13.880 -6.740 -8.671 1.00 0.00 C ATOM 258 O MET A 18 14.921 -7.237 -9.101 1.00 0.00 O ATOM 259 CB MET A 18 14.927 -6.226 -6.377 1.00 0.00 C ATOM 260 CG MET A 18 14.559 -7.525 -5.645 1.00 0.00 C ATOM 261 SD MET A 18 15.708 -7.987 -4.317 1.00 0.00 S ATOM 262 CE MET A 18 17.103 -8.601 -5.299 1.00 0.00 C ATOM 0 H MET A 18 12.023 -6.474 -6.900 1.00 0.00 H new ATOM 0 HA MET A 18 14.269 -4.838 -7.851 1.00 0.00 H new ATOM 0 HB2 MET A 18 15.908 -6.349 -6.837 1.00 0.00 H new ATOM 0 HB3 MET A 18 15.016 -5.424 -5.644 1.00 0.00 H new ATOM 0 HG2 MET A 18 13.559 -7.420 -5.224 1.00 0.00 H new ATOM 0 HG3 MET A 18 14.516 -8.337 -6.371 1.00 0.00 H new ATOM 0 HE1 MET A 18 17.880 -8.977 -4.633 1.00 0.00 H new ATOM 0 HE2 MET A 18 16.763 -9.406 -5.950 1.00 0.00 H new ATOM 0 HE3 MET A 18 17.506 -7.790 -5.905 1.00 0.00 H new ATOM 272 N GLU A 19 12.679 -7.035 -9.180 1.00 0.00 N ATOM 273 CA GLU A 19 12.406 -7.969 -10.266 1.00 0.00 C ATOM 274 C GLU A 19 11.184 -7.429 -11.024 1.00 0.00 C ATOM 275 O GLU A 19 11.209 -6.290 -11.490 1.00 0.00 O ATOM 276 CB GLU A 19 12.210 -9.392 -9.708 1.00 0.00 C ATOM 277 CG GLU A 19 13.533 -10.016 -9.248 1.00 0.00 C ATOM 278 CD GLU A 19 13.342 -11.409 -8.680 1.00 0.00 C ATOM 279 OE1 GLU A 19 12.797 -12.296 -9.374 1.00 0.00 O ATOM 280 OE2 GLU A 19 13.765 -11.647 -7.526 1.00 0.00 O ATOM 0 H GLU A 19 11.828 -6.602 -8.822 1.00 0.00 H new ATOM 0 HA GLU A 19 13.241 -8.047 -10.962 1.00 0.00 H new ATOM 0 HB2 GLU A 19 11.514 -9.360 -8.870 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.759 -10.023 -10.474 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.224 -10.060 -10.090 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.991 -9.377 -8.493 1.00 0.00 H new ATOM 287 N SER A 20 10.087 -8.175 -11.143 1.00 0.00 N ATOM 288 CA SER A 20 8.871 -7.723 -11.818 1.00 0.00 C ATOM 289 C SER A 20 8.204 -6.559 -11.073 1.00 0.00 C ATOM 290 O SER A 20 7.645 -5.665 -11.705 1.00 0.00 O ATOM 291 CB SER A 20 7.906 -8.905 -11.971 1.00 0.00 C ATOM 292 OG SER A 20 8.125 -9.878 -10.960 1.00 0.00 O ATOM 0 H SER A 20 10.017 -9.121 -10.769 1.00 0.00 H new ATOM 0 HA SER A 20 9.142 -7.349 -12.805 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.877 -8.548 -11.920 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.037 -9.360 -12.953 1.00 0.00 H new ATOM 0 HG SER A 20 7.309 -10.405 -10.831 1.00 0.00 H new ATOM 298 N GLY A 21 8.335 -6.515 -9.744 1.00 0.00 N ATOM 299 CA GLY A 21 7.654 -5.521 -8.933 1.00 0.00 C ATOM 300 C GLY A 21 6.157 -5.821 -8.860 1.00 0.00 C ATOM 301 O GLY A 21 5.681 -6.854 -9.329 1.00 0.00 O ATOM 0 H GLY A 21 8.913 -7.165 -9.211 1.00 0.00 H new ATOM 0 HA2 GLY A 21 8.078 -5.511 -7.929 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.811 -4.529 -9.356 1.00 0.00 H new ATOM 305 N PHE A 22 5.426 -4.938 -8.186 1.00 0.00 N ATOM 306 CA PHE A 22 4.044 -5.166 -7.782 1.00 0.00 C ATOM 307 C PHE A 22 3.119 -5.164 -9.011 1.00 0.00 C ATOM 308 O PHE A 22 3.426 -4.529 -10.026 1.00 0.00 O ATOM 309 CB PHE A 22 3.631 -4.118 -6.725 1.00 0.00 C ATOM 310 CG PHE A 22 4.765 -3.346 -6.054 1.00 0.00 C ATOM 311 CD1 PHE A 22 5.785 -4.021 -5.347 1.00 0.00 C ATOM 312 CD2 PHE A 22 4.817 -1.941 -6.162 1.00 0.00 C ATOM 313 CE1 PHE A 22 6.831 -3.301 -4.758 1.00 0.00 C ATOM 314 CE2 PHE A 22 5.857 -1.218 -5.552 1.00 0.00 C ATOM 315 CZ PHE A 22 6.863 -1.897 -4.844 1.00 0.00 C ATOM 0 H PHE A 22 5.785 -4.027 -7.900 1.00 0.00 H new ATOM 0 HA PHE A 22 3.951 -6.149 -7.321 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.963 -3.399 -7.200 1.00 0.00 H new ATOM 0 HB3 PHE A 22 3.056 -4.624 -5.949 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.758 -5.097 -5.261 1.00 0.00 H new ATOM 0 HD2 PHE A 22 4.053 -1.417 -6.717 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.617 -3.826 -4.235 1.00 0.00 H new ATOM 0 HE2 PHE A 22 5.883 -0.141 -5.628 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.658 -1.343 -4.367 1.00 0.00 H new ATOM 325 N GLY A 23 1.964 -5.832 -8.918 1.00 0.00 N ATOM 326 CA GLY A 23 1.072 -6.095 -10.045 1.00 0.00 C ATOM 327 C GLY A 23 -0.392 -6.053 -9.632 1.00 0.00 C ATOM 328 O GLY A 23 -1.095 -7.063 -9.709 1.00 0.00 O ATOM 0 H GLY A 23 1.619 -6.212 -8.037 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.250 -5.358 -10.828 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.302 -7.072 -10.469 1.00 0.00 H new ATOM 332 N PHE A 24 -0.854 -4.887 -9.183 1.00 0.00 N ATOM 333 CA PHE A 24 -2.256 -4.599 -8.897 1.00 0.00 C ATOM 334 C PHE A 24 -2.655 -3.315 -9.607 1.00 0.00 C ATOM 335 O PHE A 24 -1.796 -2.558 -10.071 1.00 0.00 O ATOM 336 CB PHE A 24 -2.517 -4.462 -7.381 1.00 0.00 C ATOM 337 CG PHE A 24 -1.808 -3.379 -6.638 1.00 0.00 C ATOM 338 CD1 PHE A 24 -0.476 -3.622 -6.264 1.00 0.00 C ATOM 339 CD2 PHE A 24 -2.518 -2.275 -6.141 1.00 0.00 C ATOM 340 CE1 PHE A 24 0.168 -2.719 -5.404 1.00 0.00 C ATOM 341 CE2 PHE A 24 -1.884 -1.391 -5.260 1.00 0.00 C ATOM 342 CZ PHE A 24 -0.550 -1.623 -4.892 1.00 0.00 C ATOM 0 H PHE A 24 -0.241 -4.092 -9.003 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.856 -5.434 -9.259 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.588 -4.317 -7.239 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -2.259 -5.411 -6.912 1.00 0.00 H new ATOM 0 HD1 PHE A 24 0.046 -4.492 -6.633 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.544 -2.109 -6.435 1.00 0.00 H new ATOM 0 HE1 PHE A 24 1.205 -2.864 -5.138 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.417 -0.538 -4.867 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.065 -0.947 -4.203 1.00 0.00 H new ATOM 352 N ARG A 25 -3.954 -3.039 -9.598 1.00 0.00 N ATOM 353 CA ARG A 25 -4.527 -1.711 -9.749 1.00 0.00 C ATOM 354 C ARG A 25 -5.372 -1.459 -8.501 1.00 0.00 C ATOM 355 O ARG A 25 -5.702 -2.401 -7.783 1.00 0.00 O ATOM 356 CB ARG A 25 -5.320 -1.662 -11.063 1.00 0.00 C ATOM 357 CG ARG A 25 -5.702 -0.234 -11.477 1.00 0.00 C ATOM 358 CD ARG A 25 -6.132 -0.204 -12.946 1.00 0.00 C ATOM 359 NE ARG A 25 -6.765 1.081 -13.288 1.00 0.00 N ATOM 360 CZ ARG A 25 -7.779 1.237 -14.150 1.00 0.00 C ATOM 361 NH1 ARG A 25 -8.159 0.252 -14.962 1.00 0.00 N ATOM 362 NH2 ARG A 25 -8.434 2.387 -14.185 1.00 0.00 N ATOM 0 H ARG A 25 -4.662 -3.764 -9.481 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.781 -0.920 -9.821 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.728 -2.119 -11.856 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -6.226 -2.259 -10.957 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.513 0.130 -10.846 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.855 0.435 -11.325 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.264 -0.367 -13.585 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.829 -1.019 -13.141 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.403 1.919 -12.833 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.675 -0.646 -14.936 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -8.934 0.395 -15.610 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.166 3.146 -13.559 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -9.207 2.514 -14.838 1.00 0.00 H new ATOM 376 N ILE A 26 -5.729 -0.211 -8.228 1.00 0.00 N ATOM 377 CA ILE A 26 -6.422 0.244 -7.021 1.00 0.00 C ATOM 378 C ILE A 26 -7.651 1.005 -7.517 1.00 0.00 C ATOM 379 O ILE A 26 -7.511 1.765 -8.479 1.00 0.00 O ATOM 380 CB ILE A 26 -5.495 1.129 -6.133 1.00 0.00 C ATOM 381 CG1 ILE A 26 -4.065 1.347 -6.698 1.00 0.00 C ATOM 382 CG2 ILE A 26 -5.438 0.494 -4.733 1.00 0.00 C ATOM 383 CD1 ILE A 26 -3.175 2.270 -5.864 1.00 0.00 C ATOM 0 H ILE A 26 -5.535 0.554 -8.874 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.713 -0.589 -6.381 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.928 2.129 -6.105 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.574 0.378 -6.788 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.147 1.758 -7.704 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.795 1.093 -4.088 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.442 0.455 -4.310 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -5.037 -0.517 -4.808 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.198 2.360 -6.339 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.637 3.255 -5.794 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.055 1.854 -4.864 1.00 0.00 H new ATOM 395 N LEU A 27 -8.841 0.762 -6.954 1.00 0.00 N ATOM 396 CA LEU A 27 -10.070 1.425 -7.386 1.00 0.00 C ATOM 397 C LEU A 27 -10.925 1.697 -6.155 1.00 0.00 C ATOM 398 O LEU A 27 -11.347 0.773 -5.453 1.00 0.00 O ATOM 399 CB LEU A 27 -10.884 0.568 -8.381 1.00 0.00 C ATOM 400 CG LEU A 27 -10.194 0.235 -9.724 1.00 0.00 C ATOM 401 CD1 LEU A 27 -11.012 -0.777 -10.533 1.00 0.00 C ATOM 402 CD2 LEU A 27 -10.005 1.460 -10.605 1.00 0.00 C ATOM 0 H LEU A 27 -8.975 0.101 -6.188 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.795 2.348 -7.897 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.147 -0.369 -7.890 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.818 1.088 -8.596 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.221 -0.175 -9.453 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.501 -0.991 -11.472 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.120 -1.698 -9.961 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.998 -0.363 -10.743 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.516 1.168 -11.534 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.977 1.901 -10.829 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.387 2.191 -10.084 1.00 0.00 H new ATOM 414 N GLY A 28 -11.241 2.965 -5.938 1.00 0.00 N ATOM 415 CA GLY A 28 -12.019 3.444 -4.809 1.00 0.00 C ATOM 416 C GLY A 28 -11.251 4.531 -4.074 1.00 0.00 C ATOM 417 O GLY A 28 -10.138 4.893 -4.468 1.00 0.00 O ATOM 0 H GLY A 28 -10.952 3.714 -6.567 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -12.976 3.834 -5.155 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -12.237 2.619 -4.131 1.00 0.00 H new ATOM 421 N GLY A 29 -11.842 5.081 -3.013 1.00 0.00 N ATOM 422 CA GLY A 29 -11.309 6.296 -2.404 1.00 0.00 C ATOM 423 C GLY A 29 -11.414 7.467 -3.369 1.00 0.00 C ATOM 424 O GLY A 29 -10.568 8.359 -3.356 1.00 0.00 O ATOM 0 H GLY A 29 -12.679 4.709 -2.564 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -11.857 6.521 -1.489 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.267 6.142 -2.122 1.00 0.00 H new ATOM 428 N ASP A 30 -12.417 7.455 -4.247 1.00 0.00 N ATOM 429 CA ASP A 30 -12.607 8.551 -5.189 1.00 0.00 C ATOM 430 C ASP A 30 -12.989 9.834 -4.438 1.00 0.00 C ATOM 431 O ASP A 30 -12.726 10.922 -4.947 1.00 0.00 O ATOM 432 CB ASP A 30 -13.633 8.164 -6.255 1.00 0.00 C ATOM 433 CG ASP A 30 -13.532 9.069 -7.479 1.00 0.00 C ATOM 434 OD1 ASP A 30 -12.550 8.944 -8.247 1.00 0.00 O ATOM 435 OD2 ASP A 30 -14.475 9.846 -7.722 1.00 0.00 O ATOM 0 H ASP A 30 -13.103 6.704 -4.323 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.670 8.752 -5.709 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -13.477 7.127 -6.553 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -14.637 8.227 -5.836 1.00 0.00 H new ATOM 440 N GLU A 31 -13.494 9.712 -3.199 1.00 0.00 N ATOM 441 CA GLU A 31 -13.644 10.790 -2.225 1.00 0.00 C ATOM 442 C GLU A 31 -13.034 10.368 -0.866 1.00 0.00 C ATOM 443 O GLU A 31 -12.918 9.163 -0.605 1.00 0.00 O ATOM 444 CB GLU A 31 -15.126 11.157 -2.065 1.00 0.00 C ATOM 445 CG GLU A 31 -15.681 12.013 -3.210 1.00 0.00 C ATOM 446 CD GLU A 31 -15.342 13.490 -3.014 1.00 0.00 C ATOM 447 OE1 GLU A 31 -14.147 13.857 -3.066 1.00 0.00 O ATOM 448 OE2 GLU A 31 -16.276 14.286 -2.772 1.00 0.00 O ATOM 0 H GLU A 31 -13.822 8.816 -2.839 1.00 0.00 H new ATOM 0 HA GLU A 31 -13.110 11.670 -2.584 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -15.711 10.240 -1.993 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -15.258 11.694 -1.126 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -15.270 11.666 -4.158 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -16.763 11.890 -3.267 1.00 0.00 H new ATOM 455 N PRO A 32 -12.615 11.332 -0.018 1.00 0.00 N ATOM 456 CA PRO A 32 -11.764 11.111 1.155 1.00 0.00 C ATOM 457 C PRO A 32 -12.451 10.414 2.338 1.00 0.00 C ATOM 458 O PRO A 32 -12.822 11.027 3.345 1.00 0.00 O ATOM 459 CB PRO A 32 -11.147 12.467 1.523 1.00 0.00 C ATOM 460 CG PRO A 32 -11.812 13.503 0.620 1.00 0.00 C ATOM 461 CD PRO A 32 -12.790 12.754 -0.268 1.00 0.00 C ATOM 0 HA PRO A 32 -10.988 10.391 0.894 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -11.320 12.700 2.574 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -10.068 12.456 1.372 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -12.329 14.257 1.214 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -11.068 14.026 0.019 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -13.814 13.057 -0.050 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -12.606 12.983 -1.318 1.00 0.00 H new ATOM 469 N GLY A 33 -12.526 9.090 2.254 1.00 0.00 N ATOM 470 CA GLY A 33 -13.083 8.219 3.279 1.00 0.00 C ATOM 471 C GLY A 33 -13.803 7.021 2.680 1.00 0.00 C ATOM 472 O GLY A 33 -14.100 6.066 3.404 1.00 0.00 O ATOM 0 H GLY A 33 -12.188 8.577 1.440 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.283 7.871 3.933 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -13.777 8.786 3.899 1.00 0.00 H new ATOM 476 N GLN A 34 -14.063 7.048 1.370 1.00 0.00 N ATOM 477 CA GLN A 34 -14.667 5.936 0.658 1.00 0.00 C ATOM 478 C GLN A 34 -13.712 4.734 0.627 1.00 0.00 C ATOM 479 O GLN A 34 -12.497 4.901 0.747 1.00 0.00 O ATOM 480 CB GLN A 34 -15.028 6.392 -0.756 1.00 0.00 C ATOM 481 CG GLN A 34 -16.262 7.303 -0.756 1.00 0.00 C ATOM 482 CD GLN A 34 -17.565 6.560 -1.022 1.00 0.00 C ATOM 483 OE1 GLN A 34 -17.685 5.364 -0.781 1.00 0.00 O ATOM 484 NE2 GLN A 34 -18.603 7.246 -1.470 1.00 0.00 N ATOM 0 H GLN A 34 -13.856 7.851 0.776 1.00 0.00 H new ATOM 0 HA GLN A 34 -15.574 5.618 1.172 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -14.183 6.923 -1.195 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -15.218 5.521 -1.383 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -16.331 7.808 0.207 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -16.133 8.077 -1.513 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -18.508 8.241 -1.672 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -19.499 6.780 -1.614 1.00 0.00 H new ATOM 493 N PRO A 35 -14.242 3.515 0.445 1.00 0.00 N ATOM 494 CA PRO A 35 -13.463 2.300 0.547 1.00 0.00 C ATOM 495 C PRO A 35 -12.533 2.126 -0.640 1.00 0.00 C ATOM 496 O PRO A 35 -12.966 1.870 -1.767 1.00 0.00 O ATOM 497 CB PRO A 35 -14.446 1.148 0.662 1.00 0.00 C ATOM 498 CG PRO A 35 -15.817 1.722 0.279 1.00 0.00 C ATOM 499 CD PRO A 35 -15.630 3.235 0.135 1.00 0.00 C ATOM 0 HA PRO A 35 -12.816 2.338 1.424 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -14.167 0.329 -0.001 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -14.460 0.747 1.675 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -16.174 1.285 -0.653 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -16.560 1.494 1.043 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -15.874 3.560 -0.876 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -16.294 3.773 0.812 1.00 0.00 H new ATOM 507 N ILE A 36 -11.245 2.213 -0.343 1.00 0.00 N ATOM 508 CA ILE A 36 -10.172 1.868 -1.259 1.00 0.00 C ATOM 509 C ILE A 36 -10.099 0.354 -1.258 1.00 0.00 C ATOM 510 O ILE A 36 -9.653 -0.248 -0.281 1.00 0.00 O ATOM 511 CB ILE A 36 -8.836 2.566 -0.891 1.00 0.00 C ATOM 512 CG1 ILE A 36 -9.055 4.074 -1.138 1.00 0.00 C ATOM 513 CG2 ILE A 36 -7.694 2.044 -1.786 1.00 0.00 C ATOM 514 CD1 ILE A 36 -7.939 5.032 -0.736 1.00 0.00 C ATOM 0 H ILE A 36 -10.910 2.534 0.566 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.370 2.230 -2.268 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.558 2.366 0.144 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.249 4.214 -2.201 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.959 4.372 -0.607 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.763 2.543 -1.516 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.584 0.969 -1.645 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -7.927 2.251 -2.831 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -8.236 6.055 -0.969 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.752 4.944 0.334 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -7.031 4.783 -1.285 1.00 0.00 H new ATOM 526 N LEU A 37 -10.589 -0.253 -2.330 1.00 0.00 N ATOM 527 CA LEU A 37 -10.367 -1.649 -2.655 1.00 0.00 C ATOM 528 C LEU A 37 -9.162 -1.776 -3.581 1.00 0.00 C ATOM 529 O LEU A 37 -8.816 -0.854 -4.330 1.00 0.00 O ATOM 530 CB LEU A 37 -11.602 -2.270 -3.342 1.00 0.00 C ATOM 531 CG LEU A 37 -12.952 -1.966 -2.673 1.00 0.00 C ATOM 532 CD1 LEU A 37 -14.084 -2.801 -3.270 1.00 0.00 C ATOM 533 CD2 LEU A 37 -12.916 -2.165 -1.158 1.00 0.00 C ATOM 0 H LEU A 37 -11.169 0.230 -3.016 1.00 0.00 H new ATOM 0 HA LEU A 37 -10.184 -2.185 -1.724 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.639 -1.917 -4.373 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.470 -3.351 -3.380 1.00 0.00 H new ATOM 0 HG LEU A 37 -13.146 -0.912 -2.872 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -15.020 -2.555 -2.769 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -14.174 -2.584 -4.334 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -13.866 -3.860 -3.133 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -13.895 -1.936 -0.738 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -12.657 -3.200 -0.933 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -12.170 -1.501 -0.721 1.00 0.00 H new ATOM 545 N ILE A 38 -8.586 -2.973 -3.596 1.00 0.00 N ATOM 546 CA ILE A 38 -7.827 -3.468 -4.723 1.00 0.00 C ATOM 547 C ILE A 38 -8.784 -3.424 -5.912 1.00 0.00 C ATOM 548 O ILE A 38 -9.892 -3.968 -5.856 1.00 0.00 O ATOM 549 CB ILE A 38 -7.317 -4.892 -4.426 1.00 0.00 C ATOM 550 CG1 ILE A 38 -6.401 -4.931 -3.184 1.00 0.00 C ATOM 551 CG2 ILE A 38 -6.611 -5.507 -5.648 1.00 0.00 C ATOM 552 CD1 ILE A 38 -5.021 -4.289 -3.375 1.00 0.00 C ATOM 0 H ILE A 38 -8.637 -3.628 -2.816 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.940 -2.870 -4.932 1.00 0.00 H new ATOM 0 HB ILE A 38 -8.195 -5.499 -4.205 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -6.908 -4.427 -2.361 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.263 -5.970 -2.885 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -6.265 -6.511 -5.401 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.309 -5.559 -6.484 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.758 -4.887 -5.926 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.452 -4.366 -2.448 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.487 -4.805 -4.173 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.142 -3.239 -3.640 1.00 0.00 H new ATOM 564 N GLY A 39 -8.349 -2.762 -6.979 1.00 0.00 N ATOM 565 CA GLY A 39 -9.010 -2.715 -8.263 1.00 0.00 C ATOM 566 C GLY A 39 -9.072 -4.126 -8.820 1.00 0.00 C ATOM 567 O GLY A 39 -10.100 -4.797 -8.747 1.00 0.00 O ATOM 0 H GLY A 39 -7.485 -2.221 -6.963 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.014 -2.304 -8.158 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.467 -2.061 -8.946 1.00 0.00 H new ATOM 571 N ALA A 40 -7.935 -4.574 -9.351 1.00 0.00 N ATOM 572 CA ALA A 40 -7.793 -5.836 -10.049 1.00 0.00 C ATOM 573 C ALA A 40 -6.391 -6.377 -9.795 1.00 0.00 C ATOM 574 O ALA A 40 -5.455 -5.571 -9.756 1.00 0.00 O ATOM 575 CB ALA A 40 -7.966 -5.566 -11.542 1.00 0.00 C ATOM 0 H ALA A 40 -7.064 -4.046 -9.302 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.533 -6.559 -9.705 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.864 -6.500 -12.095 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.954 -5.143 -11.723 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.203 -4.862 -11.875 1.00 0.00 H new ATOM 581 N VAL A 41 -6.222 -7.698 -9.684 1.00 0.00 N ATOM 582 CA VAL A 41 -4.942 -8.341 -9.671 1.00 0.00 C ATOM 583 C VAL A 41 -4.620 -8.894 -11.050 1.00 0.00 C ATOM 584 O VAL A 41 -5.499 -9.363 -11.779 1.00 0.00 O ATOM 585 CB VAL A 41 -4.835 -9.276 -8.469 1.00 0.00 C ATOM 586 CG1 VAL A 41 -5.535 -8.761 -7.204 1.00 0.00 C ATOM 587 CG2 VAL A 41 -4.916 -10.753 -8.683 1.00 0.00 C ATOM 0 H VAL A 41 -7.002 -8.349 -9.600 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.127 -7.638 -9.499 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.765 -9.202 -8.273 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.410 -9.485 -6.399 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.095 -7.809 -6.907 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.597 -8.623 -7.407 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.822 -11.265 -7.725 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.876 -11.003 -9.135 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.110 -11.070 -9.344 1.00 0.00 H new ATOM 597 N ILE A 42 -3.358 -8.750 -11.437 1.00 0.00 N ATOM 598 CA ILE A 42 -2.848 -9.185 -12.718 1.00 0.00 C ATOM 599 C ILE A 42 -2.521 -10.667 -12.553 1.00 0.00 C ATOM 600 O ILE A 42 -1.590 -10.994 -11.818 1.00 0.00 O ATOM 601 CB ILE A 42 -1.625 -8.326 -13.096 1.00 0.00 C ATOM 602 CG1 ILE A 42 -1.952 -6.814 -13.100 1.00 0.00 C ATOM 603 CG2 ILE A 42 -1.062 -8.772 -14.450 1.00 0.00 C ATOM 604 CD1 ILE A 42 -3.046 -6.351 -14.071 1.00 0.00 C ATOM 0 H ILE A 42 -2.648 -8.315 -10.848 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.561 -9.062 -13.533 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.864 -8.480 -12.331 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.248 -6.527 -12.091 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.037 -6.268 -13.332 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.199 -8.157 -14.705 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.759 -9.817 -14.391 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.828 -8.659 -15.218 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.182 -5.273 -13.979 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.753 -6.594 -15.092 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.982 -6.856 -13.832 1.00 0.00 H new ATOM 616 N ALA A 43 -3.281 -11.547 -13.216 1.00 0.00 N ATOM 617 CA ALA A 43 -3.095 -12.993 -13.118 1.00 0.00 C ATOM 618 C ALA A 43 -1.663 -13.411 -13.449 1.00 0.00 C ATOM 619 O ALA A 43 -1.089 -14.278 -12.803 1.00 0.00 O ATOM 620 CB ALA A 43 -4.056 -13.708 -14.072 1.00 0.00 C ATOM 0 H ALA A 43 -4.043 -11.272 -13.836 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.302 -13.277 -12.086 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.912 -14.786 -13.994 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.084 -13.459 -13.807 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.858 -13.389 -15.095 1.00 0.00 H new ATOM 626 N MET A 44 -1.073 -12.775 -14.458 1.00 0.00 N ATOM 627 CA MET A 44 0.269 -13.072 -14.933 1.00 0.00 C ATOM 628 C MET A 44 1.216 -11.957 -14.484 1.00 0.00 C ATOM 629 O MET A 44 2.052 -11.483 -15.263 1.00 0.00 O ATOM 630 CB MET A 44 0.211 -13.300 -16.451 1.00 0.00 C ATOM 631 CG MET A 44 -0.582 -14.556 -16.834 1.00 0.00 C ATOM 632 SD MET A 44 0.310 -16.125 -16.636 1.00 0.00 S ATOM 633 CE MET A 44 -0.323 -16.648 -15.020 1.00 0.00 C ATOM 0 H MET A 44 -1.527 -12.023 -14.977 1.00 0.00 H new ATOM 0 HA MET A 44 0.669 -13.990 -14.502 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.242 -12.431 -16.927 1.00 0.00 H new ATOM 0 HB3 MET A 44 1.226 -13.384 -16.840 1.00 0.00 H new ATOM 0 HG2 MET A 44 -1.488 -14.593 -16.229 1.00 0.00 H new ATOM 0 HG3 MET A 44 -0.897 -14.464 -17.874 1.00 0.00 H new ATOM 0 HE1 MET A 44 -0.454 -17.730 -15.013 1.00 0.00 H new ATOM 0 HE2 MET A 44 0.386 -16.363 -14.242 1.00 0.00 H new ATOM 0 HE3 MET A 44 -1.282 -16.166 -14.831 1.00 0.00 H new ATOM 643 N GLY A 45 1.100 -11.535 -13.224 1.00 0.00 N ATOM 644 CA GLY A 45 1.959 -10.561 -12.571 1.00 0.00 C ATOM 645 C GLY A 45 2.136 -10.936 -11.103 1.00 0.00 C ATOM 646 O GLY A 45 1.406 -11.771 -10.565 1.00 0.00 O ATOM 0 H GLY A 45 0.367 -11.883 -12.606 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.929 -10.526 -13.067 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.524 -9.565 -12.652 1.00 0.00 H new ATOM 650 N SER A 46 3.123 -10.335 -10.442 1.00 0.00 N ATOM 651 CA SER A 46 3.600 -10.833 -9.158 1.00 0.00 C ATOM 652 C SER A 46 2.628 -10.681 -7.986 1.00 0.00 C ATOM 653 O SER A 46 2.882 -11.280 -6.943 1.00 0.00 O ATOM 654 CB SER A 46 4.950 -10.204 -8.833 1.00 0.00 C ATOM 655 OG SER A 46 5.876 -10.675 -9.789 1.00 0.00 O ATOM 0 H SER A 46 3.607 -9.502 -10.776 1.00 0.00 H new ATOM 0 HA SER A 46 3.697 -11.912 -9.282 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.885 -9.116 -8.865 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.267 -10.474 -7.826 1.00 0.00 H new ATOM 0 HG SER A 46 6.600 -11.155 -9.335 1.00 0.00 H new ATOM 661 N ALA A 47 1.520 -9.941 -8.124 1.00 0.00 N ATOM 662 CA ALA A 47 0.503 -9.968 -7.082 1.00 0.00 C ATOM 663 C ALA A 47 -0.086 -11.379 -6.984 1.00 0.00 C ATOM 664 O ALA A 47 -0.109 -11.949 -5.893 1.00 0.00 O ATOM 665 CB ALA A 47 -0.629 -8.982 -7.356 1.00 0.00 C ATOM 0 H ALA A 47 1.314 -9.338 -8.920 1.00 0.00 H new ATOM 0 HA ALA A 47 0.984 -9.680 -6.147 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.363 -9.038 -6.552 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.226 -7.971 -7.409 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.108 -9.232 -8.303 1.00 0.00 H new ATOM 671 N ASP A 48 -0.548 -11.915 -8.123 1.00 0.00 N ATOM 672 CA ASP A 48 -1.183 -13.225 -8.175 1.00 0.00 C ATOM 673 C ASP A 48 -0.177 -14.309 -7.803 1.00 0.00 C ATOM 674 O ASP A 48 -0.494 -15.189 -6.999 1.00 0.00 O ATOM 675 CB ASP A 48 -1.788 -13.512 -9.552 1.00 0.00 C ATOM 676 CG ASP A 48 -2.506 -14.866 -9.543 1.00 0.00 C ATOM 677 OD1 ASP A 48 -3.576 -14.979 -8.898 1.00 0.00 O ATOM 678 OD2 ASP A 48 -2.009 -15.848 -10.131 1.00 0.00 O ATOM 0 H ASP A 48 -0.489 -11.448 -9.028 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.999 -13.226 -7.453 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.489 -12.722 -9.821 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.004 -13.513 -10.309 1.00 0.00 H new ATOM 683 N ARG A 49 1.047 -14.205 -8.337 1.00 0.00 N ATOM 684 CA ARG A 49 2.120 -15.150 -8.042 1.00 0.00 C ATOM 685 C ARG A 49 2.375 -15.246 -6.540 1.00 0.00 C ATOM 686 O ARG A 49 2.533 -16.363 -6.059 1.00 0.00 O ATOM 687 CB ARG A 49 3.426 -14.783 -8.760 1.00 0.00 C ATOM 688 CG ARG A 49 3.371 -14.916 -10.292 1.00 0.00 C ATOM 689 CD ARG A 49 4.720 -14.482 -10.885 1.00 0.00 C ATOM 690 NE ARG A 49 4.863 -14.808 -12.315 1.00 0.00 N ATOM 691 CZ ARG A 49 5.328 -15.965 -12.801 1.00 0.00 C ATOM 692 NH1 ARG A 49 5.521 -17.019 -12.019 1.00 0.00 N ATOM 693 NH2 ARG A 49 5.628 -16.063 -14.086 1.00 0.00 N ATOM 0 H ARG A 49 1.316 -13.463 -8.984 1.00 0.00 H new ATOM 0 HA ARG A 49 1.787 -16.120 -8.412 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.689 -13.756 -8.506 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.225 -15.420 -8.381 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.152 -15.946 -10.572 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.568 -14.299 -10.694 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.838 -13.407 -10.752 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.525 -14.962 -10.328 1.00 0.00 H new ATOM 0 HE ARG A 49 4.585 -14.094 -12.989 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.314 -16.959 -11.022 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.876 -17.889 -12.415 1.00 0.00 H new ATOM 0 HH21 ARG A 49 5.505 -15.259 -14.701 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.983 -16.943 -14.461 1.00 0.00 H new ATOM 707 N ASP A 50 2.402 -14.129 -5.800 1.00 0.00 N ATOM 708 CA ASP A 50 2.720 -14.132 -4.362 1.00 0.00 C ATOM 709 C ASP A 50 1.693 -14.915 -3.531 1.00 0.00 C ATOM 710 O ASP A 50 2.010 -15.338 -2.419 1.00 0.00 O ATOM 711 CB ASP A 50 2.849 -12.695 -3.834 1.00 0.00 C ATOM 712 CG ASP A 50 3.497 -12.594 -2.443 1.00 0.00 C ATOM 713 OD1 ASP A 50 4.742 -12.764 -2.364 1.00 0.00 O ATOM 714 OD2 ASP A 50 2.805 -12.221 -1.467 1.00 0.00 O ATOM 0 H ASP A 50 2.205 -13.202 -6.177 1.00 0.00 H new ATOM 0 HA ASP A 50 3.677 -14.643 -4.253 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.438 -12.111 -4.541 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.858 -12.243 -3.795 1.00 0.00 H new ATOM 719 N GLY A 51 0.495 -15.156 -4.086 1.00 0.00 N ATOM 720 CA GLY A 51 -0.484 -16.099 -3.558 1.00 0.00 C ATOM 721 C GLY A 51 -1.258 -15.551 -2.362 1.00 0.00 C ATOM 722 O GLY A 51 -1.621 -16.331 -1.479 1.00 0.00 O ATOM 0 H GLY A 51 0.180 -14.686 -4.934 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.187 -16.364 -4.348 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.026 -17.016 -3.264 1.00 0.00 H new ATOM 726 N ARG A 52 -1.455 -14.227 -2.275 1.00 0.00 N ATOM 727 CA ARG A 52 -2.023 -13.601 -1.076 1.00 0.00 C ATOM 728 C ARG A 52 -3.116 -12.561 -1.313 1.00 0.00 C ATOM 729 O ARG A 52 -4.064 -12.517 -0.526 1.00 0.00 O ATOM 730 CB ARG A 52 -0.902 -12.997 -0.223 1.00 0.00 C ATOM 731 CG ARG A 52 0.038 -14.050 0.381 1.00 0.00 C ATOM 732 CD ARG A 52 0.800 -13.461 1.568 1.00 0.00 C ATOM 733 NE ARG A 52 1.880 -12.543 1.184 1.00 0.00 N ATOM 734 CZ ARG A 52 2.694 -11.925 2.042 1.00 0.00 C ATOM 735 NH1 ARG A 52 2.498 -11.972 3.354 1.00 0.00 N ATOM 736 NH2 ARG A 52 3.717 -11.228 1.576 1.00 0.00 N ATOM 0 H ARG A 52 -1.229 -13.571 -3.022 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.528 -14.414 -0.554 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.319 -12.309 -0.836 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.344 -12.410 0.582 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.537 -14.918 0.703 1.00 0.00 H new ATOM 0 HG3 ARG A 52 0.742 -14.397 -0.376 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.098 -12.931 2.212 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.221 -14.275 2.158 1.00 0.00 H new ATOM 0 HE ARG A 52 2.018 -12.365 0.189 1.00 0.00 H new ATOM 0 HH11 ARG A 52 1.706 -12.492 3.733 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.139 -11.488 3.983 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.877 -11.167 0.570 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.346 -10.751 2.222 1.00 0.00 H new ATOM 750 N LEU A 53 -3.018 -11.720 -2.344 1.00 0.00 N ATOM 751 CA LEU A 53 -4.025 -10.688 -2.604 1.00 0.00 C ATOM 752 C LEU A 53 -5.288 -11.341 -3.174 1.00 0.00 C ATOM 753 O LEU A 53 -5.240 -12.493 -3.618 1.00 0.00 O ATOM 754 CB LEU A 53 -3.447 -9.680 -3.620 1.00 0.00 C ATOM 755 CG LEU A 53 -2.915 -8.404 -2.951 1.00 0.00 C ATOM 756 CD1 LEU A 53 -2.229 -7.522 -4.004 1.00 0.00 C ATOM 757 CD2 LEU A 53 -4.059 -7.628 -2.292 1.00 0.00 C ATOM 0 H LEU A 53 -2.250 -11.733 -3.015 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.282 -10.170 -1.680 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.641 -10.155 -4.179 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.220 -9.413 -4.340 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.195 -8.683 -2.182 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.851 -6.616 -3.530 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.400 -8.069 -4.453 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.948 -7.253 -4.778 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.664 -6.727 -1.823 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.794 -7.351 -3.048 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.534 -8.253 -1.536 1.00 0.00 H new ATOM 769 N HIS A 54 -6.378 -10.578 -3.281 1.00 0.00 N ATOM 770 CA HIS A 54 -7.469 -10.836 -4.212 1.00 0.00 C ATOM 771 C HIS A 54 -8.073 -9.502 -4.674 1.00 0.00 C ATOM 772 O HIS A 54 -8.000 -8.493 -3.964 1.00 0.00 O ATOM 773 CB HIS A 54 -8.523 -11.755 -3.571 1.00 0.00 C ATOM 774 CG HIS A 54 -8.190 -13.218 -3.737 1.00 0.00 C ATOM 775 ND1 HIS A 54 -7.981 -14.138 -2.735 1.00 0.00 N ATOM 776 CD2 HIS A 54 -7.990 -13.859 -4.929 1.00 0.00 C ATOM 777 CE1 HIS A 54 -7.689 -15.314 -3.315 1.00 0.00 C ATOM 778 NE2 HIS A 54 -7.695 -15.196 -4.653 1.00 0.00 N ATOM 0 H HIS A 54 -6.526 -9.747 -2.709 1.00 0.00 H new ATOM 0 HA HIS A 54 -7.086 -11.357 -5.089 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -8.606 -11.523 -2.509 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -9.496 -11.554 -4.018 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -8.050 -13.411 -5.910 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -7.479 -16.228 -2.780 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -7.519 -15.936 -5.333 1.00 0.00 H new ATOM 786 N PRO A 55 -8.651 -9.463 -5.887 1.00 0.00 N ATOM 787 CA PRO A 55 -9.279 -8.270 -6.429 1.00 0.00 C ATOM 788 C PRO A 55 -10.571 -8.009 -5.661 1.00 0.00 C ATOM 789 O PRO A 55 -11.460 -8.862 -5.657 1.00 0.00 O ATOM 790 CB PRO A 55 -9.505 -8.564 -7.913 1.00 0.00 C ATOM 791 CG PRO A 55 -9.591 -10.086 -7.988 1.00 0.00 C ATOM 792 CD PRO A 55 -8.718 -10.564 -6.839 1.00 0.00 C ATOM 0 HA PRO A 55 -8.676 -7.367 -6.329 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -10.420 -8.096 -8.276 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.687 -8.181 -8.523 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -10.619 -10.433 -7.879 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -9.229 -10.459 -8.946 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.141 -11.454 -6.374 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -7.723 -10.832 -7.193 1.00 0.00 H new ATOM 800 N GLY A 56 -10.677 -6.847 -5.014 1.00 0.00 N ATOM 801 CA GLY A 56 -11.817 -6.506 -4.176 1.00 0.00 C ATOM 802 C GLY A 56 -11.544 -6.711 -2.686 1.00 0.00 C ATOM 803 O GLY A 56 -12.473 -6.547 -1.892 1.00 0.00 O ATOM 0 H GLY A 56 -9.968 -6.115 -5.060 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.091 -5.465 -4.350 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.672 -7.114 -4.470 1.00 0.00 H new ATOM 807 N ASP A 57 -10.311 -7.042 -2.277 1.00 0.00 N ATOM 808 CA ASP A 57 -9.908 -6.816 -0.885 1.00 0.00 C ATOM 809 C ASP A 57 -9.934 -5.319 -0.615 1.00 0.00 C ATOM 810 O ASP A 57 -9.566 -4.529 -1.483 1.00 0.00 O ATOM 811 CB ASP A 57 -8.500 -7.337 -0.558 1.00 0.00 C ATOM 812 CG ASP A 57 -8.541 -8.736 0.049 1.00 0.00 C ATOM 813 OD1 ASP A 57 -8.747 -9.719 -0.689 1.00 0.00 O ATOM 814 OD2 ASP A 57 -8.509 -8.871 1.293 1.00 0.00 O ATOM 0 H ASP A 57 -9.594 -7.456 -2.873 1.00 0.00 H new ATOM 0 HA ASP A 57 -10.609 -7.367 -0.258 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.898 -7.352 -1.467 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -8.012 -6.653 0.137 1.00 0.00 H new ATOM 819 N GLU A 58 -10.356 -4.923 0.580 1.00 0.00 N ATOM 820 CA GLU A 58 -10.324 -3.551 1.044 1.00 0.00 C ATOM 821 C GLU A 58 -8.966 -3.258 1.669 1.00 0.00 C ATOM 822 O GLU A 58 -8.536 -3.984 2.556 1.00 0.00 O ATOM 823 CB GLU A 58 -11.451 -3.365 2.056 1.00 0.00 C ATOM 824 CG GLU A 58 -11.901 -1.907 2.106 1.00 0.00 C ATOM 825 CD GLU A 58 -13.344 -1.810 2.586 1.00 0.00 C ATOM 826 OE1 GLU A 58 -14.267 -2.192 1.838 1.00 0.00 O ATOM 827 OE2 GLU A 58 -13.577 -1.310 3.712 1.00 0.00 O ATOM 0 H GLU A 58 -10.740 -5.570 1.269 1.00 0.00 H new ATOM 0 HA GLU A 58 -10.468 -2.856 0.217 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -12.294 -4.001 1.788 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -11.114 -3.680 3.044 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.251 -1.342 2.774 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.810 -1.458 1.117 1.00 0.00 H new ATOM 834 N LEU A 59 -8.287 -2.216 1.206 1.00 0.00 N ATOM 835 CA LEU A 59 -6.984 -1.780 1.697 1.00 0.00 C ATOM 836 C LEU A 59 -7.132 -0.975 2.994 1.00 0.00 C ATOM 837 O LEU A 59 -8.188 -0.389 3.250 1.00 0.00 O ATOM 838 CB LEU A 59 -6.294 -0.973 0.581 1.00 0.00 C ATOM 839 CG LEU A 59 -5.441 -1.832 -0.386 1.00 0.00 C ATOM 840 CD1 LEU A 59 -4.806 -0.920 -1.434 1.00 0.00 C ATOM 841 CD2 LEU A 59 -4.278 -2.675 0.170 1.00 0.00 C ATOM 0 H LEU A 59 -8.641 -1.629 0.450 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.362 -2.641 1.944 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.055 -0.445 0.006 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.656 -0.216 1.036 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.179 -2.551 -0.742 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.204 -1.517 -2.119 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.589 -0.407 -1.992 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.171 -0.184 -0.940 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.793 -3.210 -0.647 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.554 -2.021 0.655 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.663 -3.392 0.895 1.00 0.00 H new ATOM 853 N VAL A 60 -6.057 -0.941 3.786 1.00 0.00 N ATOM 854 CA VAL A 60 -5.950 -0.270 5.089 1.00 0.00 C ATOM 855 C VAL A 60 -4.657 0.555 5.199 1.00 0.00 C ATOM 856 O VAL A 60 -4.730 1.750 5.501 1.00 0.00 O ATOM 857 CB VAL A 60 -6.011 -1.280 6.261 1.00 0.00 C ATOM 858 CG1 VAL A 60 -6.428 -0.565 7.555 1.00 0.00 C ATOM 859 CG2 VAL A 60 -6.977 -2.441 6.037 1.00 0.00 C ATOM 0 H VAL A 60 -5.188 -1.406 3.523 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.805 0.402 5.157 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.006 -1.695 6.332 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.467 -1.285 8.372 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.702 0.213 7.791 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -7.411 -0.114 7.421 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.959 -3.101 6.904 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -7.986 -2.053 5.897 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.676 -2.999 5.150 1.00 0.00 H new ATOM 869 N TYR A 61 -3.492 -0.063 4.966 1.00 0.00 N ATOM 870 CA TYR A 61 -2.167 0.551 5.074 1.00 0.00 C ATOM 871 C TYR A 61 -1.326 0.230 3.858 1.00 0.00 C ATOM 872 O TYR A 61 -1.405 -0.871 3.316 1.00 0.00 O ATOM 873 CB TYR A 61 -1.402 0.033 6.288 1.00 0.00 C ATOM 874 CG TYR A 61 -2.042 0.394 7.594 1.00 0.00 C ATOM 875 CD1 TYR A 61 -1.789 1.653 8.157 1.00 0.00 C ATOM 876 CD2 TYR A 61 -2.902 -0.517 8.220 1.00 0.00 C ATOM 877 CE1 TYR A 61 -2.390 2.020 9.368 1.00 0.00 C ATOM 878 CE2 TYR A 61 -3.492 -0.169 9.449 1.00 0.00 C ATOM 879 CZ TYR A 61 -3.238 1.101 10.027 1.00 0.00 C ATOM 880 OH TYR A 61 -3.831 1.475 11.194 1.00 0.00 O ATOM 0 H TYR A 61 -3.447 -1.043 4.686 1.00 0.00 H new ATOM 0 HA TYR A 61 -2.336 1.624 5.164 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -1.319 -1.052 6.220 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -0.388 0.432 6.266 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -1.128 2.343 7.655 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -3.110 -1.474 7.765 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.207 2.995 9.794 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -4.140 -0.871 9.953 1.00 0.00 H new ATOM 0 HH TYR A 61 -4.386 0.740 11.529 1.00 0.00 H new ATOM 890 N VAL A 62 -0.521 1.193 3.447 1.00 0.00 N ATOM 891 CA VAL A 62 0.245 1.160 2.226 1.00 0.00 C ATOM 892 C VAL A 62 1.651 1.607 2.604 1.00 0.00 C ATOM 893 O VAL A 62 1.823 2.756 3.011 1.00 0.00 O ATOM 894 CB VAL A 62 -0.446 2.070 1.192 1.00 0.00 C ATOM 895 CG1 VAL A 62 0.431 2.370 -0.025 1.00 0.00 C ATOM 896 CG2 VAL A 62 -1.759 1.460 0.685 1.00 0.00 C ATOM 0 H VAL A 62 -0.381 2.051 3.980 1.00 0.00 H new ATOM 0 HA VAL A 62 0.306 0.174 1.765 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.641 3.000 1.726 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.113 3.015 -0.715 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.343 2.872 0.299 1.00 0.00 H new ATOM 0 HG13 VAL A 62 0.689 1.437 -0.527 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.215 2.132 -0.042 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.555 0.499 0.213 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.441 1.315 1.523 1.00 0.00 H new ATOM 906 N ASP A 63 2.627 0.699 2.538 1.00 0.00 N ATOM 907 CA ASP A 63 4.029 0.807 2.981 1.00 0.00 C ATOM 908 C ASP A 63 4.132 0.786 4.516 1.00 0.00 C ATOM 909 O ASP A 63 4.967 0.097 5.105 1.00 0.00 O ATOM 910 CB ASP A 63 4.735 2.010 2.341 1.00 0.00 C ATOM 911 CG ASP A 63 6.254 1.899 2.514 1.00 0.00 C ATOM 912 OD1 ASP A 63 6.773 2.293 3.582 1.00 0.00 O ATOM 913 OD2 ASP A 63 6.921 1.458 1.552 1.00 0.00 O ATOM 0 H ASP A 63 2.444 -0.220 2.135 1.00 0.00 H new ATOM 0 HA ASP A 63 4.565 -0.074 2.627 1.00 0.00 H new ATOM 0 HB2 ASP A 63 4.487 2.062 1.281 1.00 0.00 H new ATOM 0 HB3 ASP A 63 4.378 2.933 2.798 1.00 0.00 H new ATOM 918 N GLY A 64 3.166 1.437 5.154 1.00 0.00 N ATOM 919 CA GLY A 64 2.886 1.559 6.574 1.00 0.00 C ATOM 920 C GLY A 64 1.911 2.716 6.813 1.00 0.00 C ATOM 921 O GLY A 64 1.505 2.979 7.941 1.00 0.00 O ATOM 0 H GLY A 64 2.474 1.957 4.614 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.461 0.629 6.951 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.812 1.732 7.123 1.00 0.00 H new ATOM 925 N ILE A 65 1.534 3.457 5.764 1.00 0.00 N ATOM 926 CA ILE A 65 0.818 4.700 5.872 1.00 0.00 C ATOM 927 C ILE A 65 -0.650 4.396 5.595 1.00 0.00 C ATOM 928 O ILE A 65 -0.963 3.762 4.582 1.00 0.00 O ATOM 929 CB ILE A 65 1.407 5.702 4.861 1.00 0.00 C ATOM 930 CG1 ILE A 65 2.915 5.563 4.531 1.00 0.00 C ATOM 931 CG2 ILE A 65 1.126 7.112 5.373 1.00 0.00 C ATOM 932 CD1 ILE A 65 3.882 5.241 5.678 1.00 0.00 C ATOM 0 H ILE A 65 1.731 3.188 4.800 1.00 0.00 H new ATOM 0 HA ILE A 65 0.908 5.148 6.862 1.00 0.00 H new ATOM 0 HB ILE A 65 0.913 5.479 3.915 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.020 4.782 3.778 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.243 6.496 4.071 1.00 0.00 H new ATOM 0 HG21 ILE A 65 1.534 7.841 4.673 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.050 7.259 5.463 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.593 7.245 6.349 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.898 5.176 5.290 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.831 6.029 6.429 1.00 0.00 H new ATOM 0 HD13 ILE A 65 3.605 4.289 6.131 1.00 0.00 H new ATOM 944 N PRO A 66 -1.557 4.773 6.502 1.00 0.00 N ATOM 945 CA PRO A 66 -2.961 4.461 6.354 1.00 0.00 C ATOM 946 C PRO A 66 -3.523 5.188 5.135 1.00 0.00 C ATOM 947 O PRO A 66 -3.196 6.352 4.871 1.00 0.00 O ATOM 948 CB PRO A 66 -3.638 4.854 7.670 1.00 0.00 C ATOM 949 CG PRO A 66 -2.604 5.699 8.415 1.00 0.00 C ATOM 950 CD PRO A 66 -1.274 5.432 7.756 1.00 0.00 C ATOM 0 HA PRO A 66 -3.141 3.401 6.172 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.552 5.419 7.489 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.917 3.973 8.248 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.857 6.758 8.361 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.574 5.432 9.471 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.731 6.362 7.590 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.647 4.805 8.390 1.00 0.00 H new ATOM 958 N VAL A 67 -4.397 4.495 4.408 1.00 0.00 N ATOM 959 CA VAL A 67 -5.192 5.081 3.328 1.00 0.00 C ATOM 960 C VAL A 67 -6.528 5.627 3.825 1.00 0.00 C ATOM 961 O VAL A 67 -7.200 6.361 3.101 1.00 0.00 O ATOM 962 CB VAL A 67 -5.363 4.082 2.169 1.00 0.00 C ATOM 963 CG1 VAL A 67 -4.035 3.973 1.438 1.00 0.00 C ATOM 964 CG2 VAL A 67 -5.796 2.662 2.533 1.00 0.00 C ATOM 0 H VAL A 67 -4.576 3.501 4.553 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.642 5.939 2.942 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.180 4.492 1.575 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.132 3.269 0.611 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.752 4.952 1.051 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.268 3.620 2.127 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.879 2.063 1.626 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.056 2.215 3.197 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.763 2.694 3.036 1.00 0.00 H new ATOM 974 N ALA A 68 -6.876 5.336 5.076 1.00 0.00 N ATOM 975 CA ALA A 68 -8.144 5.697 5.671 1.00 0.00 C ATOM 976 C ALA A 68 -8.321 7.220 5.652 1.00 0.00 C ATOM 977 O ALA A 68 -7.518 7.961 6.223 1.00 0.00 O ATOM 978 CB ALA A 68 -8.186 5.091 7.070 1.00 0.00 C ATOM 0 H ALA A 68 -6.262 4.829 5.714 1.00 0.00 H new ATOM 0 HA ALA A 68 -8.986 5.299 5.105 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -9.132 5.345 7.548 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.094 4.007 7.000 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.362 5.487 7.663 1.00 0.00 H new ATOM 984 N GLY A 69 -9.347 7.698 4.948 1.00 0.00 N ATOM 985 CA GLY A 69 -9.658 9.118 4.827 1.00 0.00 C ATOM 986 C GLY A 69 -8.808 9.863 3.797 1.00 0.00 C ATOM 987 O GLY A 69 -8.996 11.070 3.611 1.00 0.00 O ATOM 0 H GLY A 69 -9.995 7.097 4.438 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.709 9.226 4.560 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -9.526 9.591 5.800 1.00 0.00 H new ATOM 991 N LYS A 70 -7.871 9.184 3.133 1.00 0.00 N ATOM 992 CA LYS A 70 -7.165 9.660 1.951 1.00 0.00 C ATOM 993 C LYS A 70 -8.008 9.289 0.732 1.00 0.00 C ATOM 994 O LYS A 70 -9.151 8.842 0.862 1.00 0.00 O ATOM 995 CB LYS A 70 -5.738 9.109 1.923 1.00 0.00 C ATOM 996 CG LYS A 70 -5.104 9.293 3.318 1.00 0.00 C ATOM 997 CD LYS A 70 -5.006 10.756 3.753 1.00 0.00 C ATOM 998 CE LYS A 70 -3.904 11.535 3.038 1.00 0.00 C ATOM 999 NZ LYS A 70 -4.032 12.975 3.322 1.00 0.00 N ATOM 0 H LYS A 70 -7.574 8.251 3.419 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.044 10.743 1.957 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.747 8.054 1.649 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.148 9.629 1.169 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -5.692 8.742 4.052 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.106 8.855 3.316 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.963 11.245 3.570 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.828 10.795 4.828 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.927 11.178 3.363 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.965 11.362 1.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.277 13.494 2.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.958 13.313 2.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.952 13.135 4.346 1.00 0.00 H new ATOM 1013 N THR A 71 -7.460 9.487 -0.455 1.00 0.00 N ATOM 1014 CA THR A 71 -8.156 9.299 -1.717 1.00 0.00 C ATOM 1015 C THR A 71 -7.307 8.440 -2.657 1.00 0.00 C ATOM 1016 O THR A 71 -6.213 8.020 -2.292 1.00 0.00 O ATOM 1017 CB THR A 71 -8.492 10.683 -2.302 1.00 0.00 C ATOM 1018 OG1 THR A 71 -7.461 11.620 -2.026 1.00 0.00 O ATOM 1019 CG2 THR A 71 -9.772 11.255 -1.716 1.00 0.00 C ATOM 0 H THR A 71 -6.493 9.791 -0.571 1.00 0.00 H new ATOM 0 HA THR A 71 -9.093 8.762 -1.572 1.00 0.00 H new ATOM 0 HB THR A 71 -8.606 10.530 -3.375 1.00 0.00 H new ATOM 0 HG1 THR A 71 -7.698 12.490 -2.410 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.970 12.232 -2.158 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.603 10.584 -1.933 1.00 0.00 H new ATOM 0 HG23 THR A 71 -9.663 11.360 -0.637 1.00 0.00 H new ATOM 1027 N HIS A 72 -7.787 8.171 -3.870 1.00 0.00 N ATOM 1028 CA HIS A 72 -7.052 7.429 -4.881 1.00 0.00 C ATOM 1029 C HIS A 72 -5.674 8.052 -5.128 1.00 0.00 C ATOM 1030 O HIS A 72 -4.663 7.374 -4.946 1.00 0.00 O ATOM 1031 CB HIS A 72 -7.906 7.335 -6.152 1.00 0.00 C ATOM 1032 CG HIS A 72 -7.206 6.733 -7.352 1.00 0.00 C ATOM 1033 ND1 HIS A 72 -7.077 7.336 -8.583 1.00 0.00 N ATOM 1034 CD2 HIS A 72 -6.639 5.489 -7.449 1.00 0.00 C ATOM 1035 CE1 HIS A 72 -6.443 6.484 -9.400 1.00 0.00 C ATOM 1036 NE2 HIS A 72 -6.177 5.331 -8.763 1.00 0.00 N ATOM 0 H HIS A 72 -8.712 8.469 -4.178 1.00 0.00 H new ATOM 0 HA HIS A 72 -6.859 6.415 -4.532 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -8.793 6.741 -5.932 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -8.250 8.335 -6.415 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -6.562 4.761 -6.655 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -6.182 6.694 -10.427 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -5.728 4.505 -9.158 1.00 0.00 H new ATOM 1044 N ARG A 73 -5.593 9.337 -5.506 1.00 0.00 N ATOM 1045 CA ARG A 73 -4.329 9.946 -5.926 1.00 0.00 C ATOM 1046 C ARG A 73 -3.280 9.979 -4.804 1.00 0.00 C ATOM 1047 O ARG A 73 -2.095 9.875 -5.105 1.00 0.00 O ATOM 1048 CB ARG A 73 -4.615 11.356 -6.472 1.00 0.00 C ATOM 1049 CG ARG A 73 -3.585 11.828 -7.493 1.00 0.00 C ATOM 1050 CD ARG A 73 -3.936 11.453 -8.945 1.00 0.00 C ATOM 1051 NE ARG A 73 -4.483 12.599 -9.703 1.00 0.00 N ATOM 1052 CZ ARG A 73 -4.653 12.640 -11.033 1.00 0.00 C ATOM 1053 NH1 ARG A 73 -4.476 11.547 -11.764 1.00 0.00 N ATOM 1054 NH2 ARG A 73 -4.998 13.776 -11.630 1.00 0.00 N ATOM 0 H ARG A 73 -6.391 9.972 -5.528 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.895 9.327 -6.711 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.603 11.366 -6.932 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.642 12.061 -5.641 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.485 12.911 -7.421 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.614 11.401 -7.241 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.044 11.080 -9.448 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.663 10.641 -8.943 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.753 13.426 -9.171 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.210 10.671 -11.315 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -4.606 11.583 -12.775 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.135 14.622 -11.077 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -5.126 13.802 -12.642 1.00 0.00 H new ATOM 1068 N TYR A 74 -3.708 10.044 -3.535 1.00 0.00 N ATOM 1069 CA TYR A 74 -2.851 9.809 -2.365 1.00 0.00 C ATOM 1070 C TYR A 74 -2.022 8.543 -2.576 1.00 0.00 C ATOM 1071 O TYR A 74 -0.793 8.598 -2.579 1.00 0.00 O ATOM 1072 CB TYR A 74 -3.654 9.741 -1.075 1.00 0.00 C ATOM 1073 CG TYR A 74 -2.847 9.292 0.126 1.00 0.00 C ATOM 1074 CD1 TYR A 74 -1.838 10.105 0.675 1.00 0.00 C ATOM 1075 CD2 TYR A 74 -3.154 8.053 0.715 1.00 0.00 C ATOM 1076 CE1 TYR A 74 -1.198 9.713 1.864 1.00 0.00 C ATOM 1077 CE2 TYR A 74 -2.525 7.664 1.903 1.00 0.00 C ATOM 1078 CZ TYR A 74 -1.617 8.540 2.525 1.00 0.00 C ATOM 1079 OH TYR A 74 -1.182 8.267 3.778 1.00 0.00 O ATOM 0 H TYR A 74 -4.673 10.264 -3.290 1.00 0.00 H new ATOM 0 HA TYR A 74 -2.175 10.658 -2.262 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.077 10.724 -0.869 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.491 9.057 -1.215 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -1.557 11.026 0.185 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -3.877 7.400 0.249 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -0.391 10.306 2.268 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -2.735 6.699 2.339 1.00 0.00 H new ATOM 0 HH TYR A 74 -1.789 7.626 4.203 1.00 0.00 H new ATOM 1089 N VAL A 75 -2.696 7.406 -2.765 1.00 0.00 N ATOM 1090 CA VAL A 75 -2.054 6.107 -2.892 1.00 0.00 C ATOM 1091 C VAL A 75 -1.164 6.103 -4.135 1.00 0.00 C ATOM 1092 O VAL A 75 -0.092 5.517 -4.111 1.00 0.00 O ATOM 1093 CB VAL A 75 -3.108 4.977 -2.969 1.00 0.00 C ATOM 1094 CG1 VAL A 75 -2.400 3.629 -2.802 1.00 0.00 C ATOM 1095 CG2 VAL A 75 -4.200 5.116 -1.898 1.00 0.00 C ATOM 0 H VAL A 75 -3.713 7.367 -2.834 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.440 5.925 -2.010 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.599 5.044 -3.940 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.133 2.824 -2.854 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.665 3.503 -3.597 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.897 3.599 -1.835 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.913 4.298 -1.997 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.745 5.083 -0.908 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -4.718 6.066 -2.028 1.00 0.00 H new ATOM 1105 N ILE A 76 -1.557 6.754 -5.227 1.00 0.00 N ATOM 1106 CA ILE A 76 -0.784 6.770 -6.468 1.00 0.00 C ATOM 1107 C ILE A 76 0.582 7.451 -6.273 1.00 0.00 C ATOM 1108 O ILE A 76 1.560 7.037 -6.893 1.00 0.00 O ATOM 1109 CB ILE A 76 -1.647 7.380 -7.604 1.00 0.00 C ATOM 1110 CG1 ILE A 76 -2.940 6.570 -7.871 1.00 0.00 C ATOM 1111 CG2 ILE A 76 -0.884 7.550 -8.930 1.00 0.00 C ATOM 1112 CD1 ILE A 76 -2.728 5.102 -8.271 1.00 0.00 C ATOM 0 H ILE A 76 -2.425 7.288 -5.277 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.540 5.751 -6.769 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.914 8.370 -7.233 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -3.558 6.599 -6.974 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -3.503 7.067 -8.662 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.548 7.981 -9.679 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.031 8.212 -8.777 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.532 6.578 -9.274 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.695 4.626 -8.435 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.141 5.056 -9.188 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.197 4.581 -7.474 1.00 0.00 H new ATOM 1124 N ASP A 77 0.715 8.454 -5.404 1.00 0.00 N ATOM 1125 CA ASP A 77 2.039 8.979 -5.003 1.00 0.00 C ATOM 1126 C ASP A 77 2.758 7.997 -4.081 1.00 0.00 C ATOM 1127 O ASP A 77 3.980 7.851 -4.093 1.00 0.00 O ATOM 1128 CB ASP A 77 1.866 10.292 -4.214 1.00 0.00 C ATOM 1129 CG ASP A 77 2.929 11.336 -4.580 1.00 0.00 C ATOM 1130 OD1 ASP A 77 4.105 11.006 -4.849 1.00 0.00 O ATOM 1131 OD2 ASP A 77 2.567 12.531 -4.689 1.00 0.00 O ATOM 0 H ASP A 77 -0.073 8.925 -4.959 1.00 0.00 H new ATOM 0 HA ASP A 77 2.617 9.137 -5.914 1.00 0.00 H new ATOM 0 HB2 ASP A 77 0.875 10.702 -4.409 1.00 0.00 H new ATOM 0 HB3 ASP A 77 1.920 10.081 -3.146 1.00 0.00 H new ATOM 1136 N LEU A 78 1.980 7.301 -3.264 1.00 0.00 N ATOM 1137 CA LEU A 78 2.473 6.430 -2.222 1.00 0.00 C ATOM 1138 C LEU A 78 3.075 5.151 -2.804 1.00 0.00 C ATOM 1139 O LEU A 78 4.045 4.617 -2.265 1.00 0.00 O ATOM 1140 CB LEU A 78 1.282 6.130 -1.305 1.00 0.00 C ATOM 1141 CG LEU A 78 1.495 6.172 0.208 1.00 0.00 C ATOM 1142 CD1 LEU A 78 2.901 6.504 0.692 1.00 0.00 C ATOM 1143 CD2 LEU A 78 0.630 7.224 0.898 1.00 0.00 C ATOM 0 H LEU A 78 0.962 7.332 -3.314 1.00 0.00 H new ATOM 0 HA LEU A 78 3.278 6.907 -1.663 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.491 6.839 -1.548 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.910 5.138 -1.560 1.00 0.00 H new ATOM 0 HG LEU A 78 1.241 5.144 0.466 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.920 6.502 1.782 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.601 5.758 0.315 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.189 7.489 0.325 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.824 7.208 1.971 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.870 8.210 0.501 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.422 7.006 0.716 1.00 0.00 H new ATOM 1155 N MET A 79 2.536 4.665 -3.924 1.00 0.00 N ATOM 1156 CA MET A 79 3.148 3.649 -4.758 1.00 0.00 C ATOM 1157 C MET A 79 4.512 4.093 -5.256 1.00 0.00 C ATOM 1158 O MET A 79 5.409 3.264 -5.347 1.00 0.00 O ATOM 1159 CB MET A 79 2.243 3.350 -5.961 1.00 0.00 C ATOM 1160 CG MET A 79 0.896 2.744 -5.574 1.00 0.00 C ATOM 1161 SD MET A 79 0.907 1.454 -4.305 1.00 0.00 S ATOM 1162 CE MET A 79 2.139 0.284 -4.955 1.00 0.00 C ATOM 0 H MET A 79 1.634 4.982 -4.279 1.00 0.00 H new ATOM 0 HA MET A 79 3.276 2.751 -4.154 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.072 4.273 -6.515 1.00 0.00 H new ATOM 0 HB3 MET A 79 2.760 2.666 -6.634 1.00 0.00 H new ATOM 0 HG2 MET A 79 0.248 3.551 -5.231 1.00 0.00 H new ATOM 0 HG3 MET A 79 0.440 2.330 -6.473 1.00 0.00 H new ATOM 0 HE1 MET A 79 2.007 -0.686 -4.477 1.00 0.00 H new ATOM 0 HE2 MET A 79 2.008 0.178 -6.032 1.00 0.00 H new ATOM 0 HE3 MET A 79 3.141 0.658 -4.747 1.00 0.00 H new ATOM 1172 N HIS A 80 4.675 5.376 -5.569 1.00 0.00 N ATOM 1173 CA HIS A 80 5.914 5.905 -6.095 1.00 0.00 C ATOM 1174 C HIS A 80 6.965 5.972 -4.993 1.00 0.00 C ATOM 1175 O HIS A 80 8.061 5.464 -5.202 1.00 0.00 O ATOM 1176 CB HIS A 80 5.611 7.217 -6.831 1.00 0.00 C ATOM 1177 CG HIS A 80 5.279 6.884 -8.258 1.00 0.00 C ATOM 1178 ND1 HIS A 80 6.128 6.963 -9.336 1.00 0.00 N ATOM 1179 CD2 HIS A 80 4.167 6.194 -8.654 1.00 0.00 C ATOM 1180 CE1 HIS A 80 5.537 6.340 -10.364 1.00 0.00 C ATOM 1181 NE2 HIS A 80 4.335 5.861 -10.001 1.00 0.00 N ATOM 0 H HIS A 80 3.941 6.076 -5.461 1.00 0.00 H new ATOM 0 HA HIS A 80 6.362 5.249 -6.841 1.00 0.00 H new ATOM 0 HB2 HIS A 80 4.778 7.736 -6.357 1.00 0.00 H new ATOM 0 HB3 HIS A 80 6.470 7.886 -6.786 1.00 0.00 H new ATOM 0 HD2 HIS A 80 3.314 5.951 -8.038 1.00 0.00 H new ATOM 0 HE1 HIS A 80 5.967 6.237 -11.349 1.00 0.00 H new ATOM 0 HE2 HIS A 80 3.676 5.354 -10.592 1.00 0.00 H new ATOM 1189 N HIS A 81 6.615 6.472 -3.807 1.00 0.00 N ATOM 1190 CA HIS A 81 7.433 6.430 -2.602 1.00 0.00 C ATOM 1191 C HIS A 81 7.925 5.014 -2.326 1.00 0.00 C ATOM 1192 O HIS A 81 9.128 4.787 -2.197 1.00 0.00 O ATOM 1193 CB HIS A 81 6.542 6.910 -1.455 1.00 0.00 C ATOM 1194 CG HIS A 81 6.993 6.574 -0.057 1.00 0.00 C ATOM 1195 ND1 HIS A 81 7.929 7.234 0.702 1.00 0.00 N ATOM 1196 CD2 HIS A 81 6.488 5.556 0.703 1.00 0.00 C ATOM 1197 CE1 HIS A 81 7.984 6.632 1.901 1.00 0.00 C ATOM 1198 NE2 HIS A 81 7.116 5.607 1.951 1.00 0.00 N ATOM 0 H HIS A 81 5.718 6.935 -3.658 1.00 0.00 H new ATOM 0 HA HIS A 81 8.315 7.060 -2.714 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.446 7.993 -1.530 1.00 0.00 H new ATOM 0 HB3 HIS A 81 5.546 6.491 -1.600 1.00 0.00 H new ATOM 0 HD2 HIS A 81 5.739 4.841 0.395 1.00 0.00 H new ATOM 0 HE1 HIS A 81 8.634 6.929 2.711 1.00 0.00 H new ATOM 0 HE2 HIS A 81 6.948 4.988 2.744 1.00 0.00 H new ATOM 1206 N ALA A 82 6.987 4.075 -2.231 1.00 0.00 N ATOM 1207 CA ALA A 82 7.273 2.663 -1.993 1.00 0.00 C ATOM 1208 C ALA A 82 8.176 2.091 -3.092 1.00 0.00 C ATOM 1209 O ALA A 82 9.157 1.398 -2.817 1.00 0.00 O ATOM 1210 CB ALA A 82 5.964 1.883 -1.898 1.00 0.00 C ATOM 0 H ALA A 82 5.991 4.277 -2.319 1.00 0.00 H new ATOM 0 HA ALA A 82 7.809 2.567 -1.049 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.180 0.830 -1.720 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.366 2.274 -1.075 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.410 1.987 -2.831 1.00 0.00 H new ATOM 1216 N ALA A 83 7.917 2.424 -4.356 1.00 0.00 N ATOM 1217 CA ALA A 83 8.784 2.012 -5.449 1.00 0.00 C ATOM 1218 C ALA A 83 10.187 2.633 -5.371 1.00 0.00 C ATOM 1219 O ALA A 83 11.086 2.128 -6.052 1.00 0.00 O ATOM 1220 CB ALA A 83 8.115 2.265 -6.803 1.00 0.00 C ATOM 0 H ALA A 83 7.111 2.979 -4.644 1.00 0.00 H new ATOM 0 HA ALA A 83 8.935 0.937 -5.346 1.00 0.00 H new ATOM 0 HB1 ALA A 83 8.783 1.949 -7.604 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.186 1.699 -6.861 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.899 3.328 -6.909 1.00 0.00 H new ATOM 1226 N ARG A 84 10.412 3.671 -4.554 1.00 0.00 N ATOM 1227 CA ARG A 84 11.766 4.110 -4.196 1.00 0.00 C ATOM 1228 C ARG A 84 12.304 3.317 -3.002 1.00 0.00 C ATOM 1229 O ARG A 84 13.471 2.943 -3.023 1.00 0.00 O ATOM 1230 CB ARG A 84 11.827 5.623 -3.928 1.00 0.00 C ATOM 1231 CG ARG A 84 11.162 6.466 -5.030 1.00 0.00 C ATOM 1232 CD ARG A 84 11.762 7.863 -5.156 1.00 0.00 C ATOM 1233 NE ARG A 84 11.538 8.448 -6.487 1.00 0.00 N ATOM 1234 CZ ARG A 84 12.304 9.384 -7.055 1.00 0.00 C ATOM 1235 NH1 ARG A 84 13.489 9.680 -6.537 1.00 0.00 N ATOM 1236 NH2 ARG A 84 11.892 10.033 -8.139 1.00 0.00 N ATOM 0 H ARG A 84 9.669 4.224 -4.127 1.00 0.00 H new ATOM 0 HA ARG A 84 12.408 3.909 -5.054 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.342 5.836 -2.975 1.00 0.00 H new ATOM 0 HB3 ARG A 84 12.870 5.925 -3.829 1.00 0.00 H new ATOM 0 HG2 ARG A 84 11.258 5.948 -5.984 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.096 6.552 -4.820 1.00 0.00 H new ATOM 0 HD2 ARG A 84 11.326 8.513 -4.398 1.00 0.00 H new ATOM 0 HD3 ARG A 84 12.833 7.816 -4.958 1.00 0.00 H new ATOM 0 HE ARG A 84 10.734 8.113 -7.018 1.00 0.00 H new ATOM 0 HH11 ARG A 84 13.817 9.193 -5.703 1.00 0.00 H new ATOM 0 HH12 ARG A 84 14.072 10.395 -6.973 1.00 0.00 H new ATOM 0 HH21 ARG A 84 10.982 9.819 -8.547 1.00 0.00 H new ATOM 0 HH22 ARG A 84 12.486 10.745 -8.563 1.00 0.00 H new ATOM 1250 N ASN A 85 11.458 2.968 -2.022 1.00 0.00 N ATOM 1251 CA ASN A 85 11.821 2.082 -0.901 1.00 0.00 C ATOM 1252 C ASN A 85 12.198 0.676 -1.389 1.00 0.00 C ATOM 1253 O ASN A 85 12.771 -0.110 -0.626 1.00 0.00 O ATOM 1254 CB ASN A 85 10.685 1.932 0.138 1.00 0.00 C ATOM 1255 CG ASN A 85 10.225 3.232 0.784 1.00 0.00 C ATOM 1256 OD1 ASN A 85 10.957 4.217 0.821 1.00 0.00 O ATOM 1257 ND2 ASN A 85 8.995 3.287 1.260 1.00 0.00 N ATOM 0 H ASN A 85 10.493 3.295 -1.983 1.00 0.00 H new ATOM 0 HA ASN A 85 12.677 2.562 -0.427 1.00 0.00 H new ATOM 0 HB2 ASN A 85 9.829 1.463 -0.347 1.00 0.00 H new ATOM 0 HB3 ASN A 85 11.018 1.253 0.922 1.00 0.00 H new ATOM 0 HD21 ASN A 85 8.643 4.155 1.664 1.00 0.00 H new ATOM 0 HD22 ASN A 85 8.397 2.462 1.223 1.00 0.00 H new ATOM 1264 N GLY A 86 11.854 0.331 -2.634 1.00 0.00 N ATOM 1265 CA GLY A 86 12.219 -0.907 -3.310 1.00 0.00 C ATOM 1266 C GLY A 86 11.420 -2.108 -2.805 1.00 0.00 C ATOM 1267 O GLY A 86 11.823 -3.255 -2.996 1.00 0.00 O ATOM 0 H GLY A 86 11.286 0.941 -3.222 1.00 0.00 H new ATOM 0 HA2 GLY A 86 12.058 -0.793 -4.382 1.00 0.00 H new ATOM 0 HA3 GLY A 86 13.283 -1.096 -3.166 1.00 0.00 H new ATOM 1271 N GLN A 87 10.266 -1.863 -2.192 1.00 0.00 N ATOM 1272 CA GLN A 87 9.330 -2.849 -1.670 1.00 0.00 C ATOM 1273 C GLN A 87 8.015 -2.118 -1.416 1.00 0.00 C ATOM 1274 O GLN A 87 7.948 -0.911 -1.636 1.00 0.00 O ATOM 1275 CB GLN A 87 9.908 -3.460 -0.380 1.00 0.00 C ATOM 1276 CG GLN A 87 10.137 -2.435 0.748 1.00 0.00 C ATOM 1277 CD GLN A 87 11.347 -2.816 1.592 1.00 0.00 C ATOM 1278 OE1 GLN A 87 11.259 -3.669 2.466 1.00 0.00 O ATOM 1279 NE2 GLN A 87 12.488 -2.193 1.366 1.00 0.00 N ATOM 0 H GLN A 87 9.940 -0.909 -2.038 1.00 0.00 H new ATOM 0 HA GLN A 87 9.161 -3.669 -2.368 1.00 0.00 H new ATOM 0 HB2 GLN A 87 9.231 -4.235 -0.021 1.00 0.00 H new ATOM 0 HB3 GLN A 87 10.855 -3.947 -0.613 1.00 0.00 H new ATOM 0 HG2 GLN A 87 10.285 -1.444 0.319 1.00 0.00 H new ATOM 0 HG3 GLN A 87 9.251 -2.380 1.380 1.00 0.00 H new ATOM 0 HE21 GLN A 87 12.546 -1.485 0.634 1.00 0.00 H new ATOM 0 HE22 GLN A 87 13.312 -2.420 1.923 1.00 0.00 H new ATOM 1288 N VAL A 88 6.970 -2.815 -0.989 1.00 0.00 N ATOM 1289 CA VAL A 88 5.707 -2.197 -0.623 1.00 0.00 C ATOM 1290 C VAL A 88 5.002 -3.118 0.374 1.00 0.00 C ATOM 1291 O VAL A 88 5.328 -4.304 0.436 1.00 0.00 O ATOM 1292 CB VAL A 88 4.922 -1.916 -1.920 1.00 0.00 C ATOM 1293 CG1 VAL A 88 4.279 -3.159 -2.534 1.00 0.00 C ATOM 1294 CG2 VAL A 88 3.877 -0.824 -1.783 1.00 0.00 C ATOM 0 H VAL A 88 6.977 -3.830 -0.887 1.00 0.00 H new ATOM 0 HA VAL A 88 5.822 -1.236 -0.121 1.00 0.00 H new ATOM 0 HB VAL A 88 5.695 -1.561 -2.602 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.745 -2.881 -3.443 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.053 -3.887 -2.776 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.580 -3.596 -1.822 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.368 -0.686 -2.737 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.150 -1.109 -1.022 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.361 0.108 -1.491 1.00 0.00 H new ATOM 1304 N ASN A 89 4.046 -2.605 1.148 1.00 0.00 N ATOM 1305 CA ASN A 89 3.446 -3.317 2.274 1.00 0.00 C ATOM 1306 C ASN A 89 1.955 -3.003 2.319 1.00 0.00 C ATOM 1307 O ASN A 89 1.567 -1.969 2.861 1.00 0.00 O ATOM 1308 CB ASN A 89 4.155 -2.880 3.556 1.00 0.00 C ATOM 1309 CG ASN A 89 3.573 -3.529 4.807 1.00 0.00 C ATOM 1310 OD1 ASN A 89 3.280 -4.720 4.826 1.00 0.00 O ATOM 1311 ND2 ASN A 89 3.384 -2.772 5.871 1.00 0.00 N ATOM 0 H ASN A 89 3.662 -1.671 1.008 1.00 0.00 H new ATOM 0 HA ASN A 89 3.560 -4.396 2.167 1.00 0.00 H new ATOM 0 HB2 ASN A 89 5.214 -3.129 3.483 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.088 -1.796 3.651 1.00 0.00 H new ATOM 0 HD21 ASN A 89 2.991 -3.176 6.721 1.00 0.00 H new ATOM 0 HD22 ASN A 89 3.631 -1.783 5.844 1.00 0.00 H new ATOM 1318 N LEU A 90 1.150 -3.823 1.651 1.00 0.00 N ATOM 1319 CA LEU A 90 -0.262 -3.595 1.394 1.00 0.00 C ATOM 1320 C LEU A 90 -1.054 -4.372 2.430 1.00 0.00 C ATOM 1321 O LEU A 90 -1.238 -5.575 2.258 1.00 0.00 O ATOM 1322 CB LEU A 90 -0.639 -4.124 -0.003 1.00 0.00 C ATOM 1323 CG LEU A 90 0.096 -3.472 -1.183 1.00 0.00 C ATOM 1324 CD1 LEU A 90 0.043 -4.388 -2.411 1.00 0.00 C ATOM 1325 CD2 LEU A 90 -0.500 -2.101 -1.511 1.00 0.00 C ATOM 0 H LEU A 90 1.482 -4.703 1.258 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.478 -2.528 1.444 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.449 -5.197 -0.028 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.711 -3.987 -0.146 1.00 0.00 H new ATOM 0 HG LEU A 90 1.138 -3.326 -0.898 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.568 -3.915 -3.241 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.520 -5.340 -2.176 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.996 -4.562 -2.691 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.039 -1.661 -2.350 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.551 -2.215 -1.775 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.413 -1.449 -0.642 1.00 0.00 H new ATOM 1337 N THR A 91 -1.530 -3.726 3.484 1.00 0.00 N ATOM 1338 CA THR A 91 -2.402 -4.367 4.452 1.00 0.00 C ATOM 1339 C THR A 91 -3.839 -4.204 3.951 1.00 0.00 C ATOM 1340 O THR A 91 -4.236 -3.096 3.576 1.00 0.00 O ATOM 1341 CB THR A 91 -2.148 -3.749 5.830 1.00 0.00 C ATOM 1342 OG1 THR A 91 -0.781 -3.940 6.145 1.00 0.00 O ATOM 1343 CG2 THR A 91 -3.000 -4.389 6.926 1.00 0.00 C ATOM 0 H THR A 91 -1.323 -2.749 3.690 1.00 0.00 H new ATOM 0 HA THR A 91 -2.209 -5.434 4.558 1.00 0.00 H new ATOM 0 HB THR A 91 -2.415 -2.693 5.786 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.590 -3.551 7.024 1.00 0.00 H new ATOM 0 HG21 THR A 91 -2.780 -3.914 7.882 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.056 -4.257 6.690 1.00 0.00 H new ATOM 0 HG23 THR A 91 -2.772 -5.453 6.989 1.00 0.00 H new ATOM 1351 N VAL A 92 -4.608 -5.290 3.931 1.00 0.00 N ATOM 1352 CA VAL A 92 -6.008 -5.354 3.517 1.00 0.00 C ATOM 1353 C VAL A 92 -6.833 -5.864 4.699 1.00 0.00 C ATOM 1354 O VAL A 92 -6.274 -6.369 5.673 1.00 0.00 O ATOM 1355 CB VAL A 92 -6.195 -6.252 2.266 1.00 0.00 C ATOM 1356 CG1 VAL A 92 -5.398 -5.736 1.062 1.00 0.00 C ATOM 1357 CG2 VAL A 92 -5.894 -7.734 2.532 1.00 0.00 C ATOM 0 H VAL A 92 -4.251 -6.201 4.220 1.00 0.00 H new ATOM 0 HA VAL A 92 -6.349 -4.359 3.231 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.255 -6.189 2.020 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.559 -6.396 0.209 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.731 -4.729 0.810 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.337 -5.716 1.310 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.044 -8.306 1.616 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.861 -7.842 2.862 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.563 -8.108 3.307 1.00 0.00 H new ATOM 1367 N ARG A 93 -8.161 -5.771 4.641 1.00 0.00 N ATOM 1368 CA ARG A 93 -9.043 -6.393 5.618 1.00 0.00 C ATOM 1369 C ARG A 93 -10.388 -6.710 4.987 1.00 0.00 C ATOM 1370 O ARG A 93 -10.839 -5.971 4.109 1.00 0.00 O ATOM 1371 CB ARG A 93 -9.197 -5.473 6.839 1.00 0.00 C ATOM 1372 CG ARG A 93 -9.973 -4.185 6.556 1.00 0.00 C ATOM 1373 CD ARG A 93 -10.075 -3.282 7.796 1.00 0.00 C ATOM 1374 NE ARG A 93 -10.277 -1.849 7.482 1.00 0.00 N ATOM 1375 CZ ARG A 93 -11.106 -1.290 6.587 1.00 0.00 C ATOM 1376 NH1 ARG A 93 -12.095 -1.986 6.037 1.00 0.00 N ATOM 1377 NH2 ARG A 93 -10.918 -0.021 6.250 1.00 0.00 N ATOM 0 H ARG A 93 -8.654 -5.259 3.910 1.00 0.00 H new ATOM 0 HA ARG A 93 -8.606 -7.333 5.954 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -9.703 -6.022 7.633 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -8.206 -5.213 7.212 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -9.484 -3.638 5.750 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -10.975 -4.436 6.208 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -10.901 -3.627 8.417 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -9.165 -3.389 8.387 1.00 0.00 H new ATOM 0 HE ARG A 93 -9.707 -1.197 8.021 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -12.235 -2.963 6.293 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -12.715 -1.543 5.359 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -10.155 0.510 6.669 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -11.537 0.424 5.572 1.00 0.00 H new ATOM 1391 N ARG A 94 -11.083 -7.735 5.482 1.00 0.00 N ATOM 1392 CA ARG A 94 -12.425 -8.100 5.020 1.00 0.00 C ATOM 1393 C ARG A 94 -13.234 -8.617 6.199 1.00 0.00 C ATOM 1394 O ARG A 94 -12.737 -9.378 7.030 1.00 0.00 O ATOM 1395 CB ARG A 94 -12.359 -9.159 3.902 1.00 0.00 C ATOM 1396 CG ARG A 94 -11.960 -8.565 2.538 1.00 0.00 C ATOM 1397 CD ARG A 94 -11.498 -9.624 1.533 1.00 0.00 C ATOM 1398 NE ARG A 94 -12.574 -10.261 0.765 1.00 0.00 N ATOM 1399 CZ ARG A 94 -12.467 -10.627 -0.521 1.00 0.00 C ATOM 1400 NH1 ARG A 94 -11.344 -10.466 -1.212 1.00 0.00 N ATOM 1401 NH2 ARG A 94 -13.505 -11.157 -1.156 1.00 0.00 N ATOM 0 H ARG A 94 -10.728 -8.341 6.221 1.00 0.00 H new ATOM 0 HA ARG A 94 -12.909 -7.216 4.605 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -11.641 -9.930 4.181 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -13.330 -9.645 3.811 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -12.810 -8.024 2.122 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -11.161 -7.839 2.685 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -10.799 -9.161 0.836 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -10.948 -10.397 2.070 1.00 0.00 H new ATOM 0 HE ARG A 94 -13.460 -10.437 1.239 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -10.526 -10.052 -0.766 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -11.300 -10.757 -2.189 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -14.390 -11.288 -0.666 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -13.418 -11.433 -2.134 1.00 0.00 H new ATOM 1415 N LYS A 95 -14.476 -8.147 6.300 1.00 0.00 N ATOM 1416 CA LYS A 95 -15.506 -8.620 7.211 1.00 0.00 C ATOM 1417 C LYS A 95 -15.871 -10.064 6.921 1.00 0.00 C ATOM 1418 O LYS A 95 -16.391 -10.402 5.861 1.00 0.00 O ATOM 1419 CB LYS A 95 -16.683 -7.656 7.117 1.00 0.00 C ATOM 1420 CG LYS A 95 -17.528 -7.604 8.392 1.00 0.00 C ATOM 1421 CD LYS A 95 -18.816 -8.431 8.326 1.00 0.00 C ATOM 1422 CE LYS A 95 -19.999 -7.653 7.740 1.00 0.00 C ATOM 1423 NZ LYS A 95 -19.828 -7.306 6.316 1.00 0.00 N ATOM 0 H LYS A 95 -14.805 -7.381 5.712 1.00 0.00 H new ATOM 0 HA LYS A 95 -15.149 -8.627 8.241 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -16.308 -6.656 6.897 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -17.318 -7.949 6.281 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -16.925 -7.957 9.229 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -17.786 -6.566 8.601 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -18.639 -9.321 7.722 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -19.074 -8.772 9.329 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -20.906 -8.246 7.855 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -20.142 -6.738 8.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -20.697 -6.857 5.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -19.030 -6.647 6.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -19.636 -8.169 5.769 1.00 0.00 H new