USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 770 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 26 MET CE :methyl -129:sc= -2.61 (180deg=-2.71!) USER MOD Set 1.2: A 80 CYS SG : rot -50:sc= -0.186 USER MOD Set 1.3: A 88 THR OG1 : rot 89:sc= -1.27 USER MOD Set 2.1: A 81 ASN : amide:sc= -4.88! C(o=-4.9!,f=-17!) USER MOD Set 2.2: A 83 ASN : amide:sc= 0 X(o=-4.9,f=-4.9) USER MOD Set 3.1: A 27 SER OG : rot 81:sc= 0.479 USER MOD Set 3.2: A 61 THR OG1 : rot 95:sc= 0.623 USER MOD Set 4.1: A 59 LYS NZ :NH3+ 160:sc= 1.19 (180deg=0.198) USER MOD Set 4.2: A 95 TYR OH : rot -40:sc=-0.00397 USER MOD Single : A 17 LYS NZ :NH3+ 171:sc=-0.00873 (180deg=-0.0941) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 161:sc= -0.0486 (180deg=-0.354) USER MOD Single : A 24 LYS NZ :NH3+ 168:sc= -0.0559 (180deg=-0.232) USER MOD Single : A 28 GLN : amide:sc= -1.81 K(o=-1.8,f=-5!) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 CYS SG : rot 65:sc= 0.647 USER MOD Single : A 35 ASN : amide:sc= 1.65 K(o=1.6,f=-5.3!) USER MOD Single : A 37 TYR OH : rot 30:sc= -0.171 USER MOD Single : A 39 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0866) USER MOD Single : A 42 CYS SG : rot -90:sc= -2.96! USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 88:sc= 0.357 USER MOD Single : A 49 THR OG1 : rot 89:sc= 0.478 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -138:sc= -0.45 (180deg=-2.36!) USER MOD Single : A 55 HIS : no HD1:sc= -0.159 X(o=-0.16,f=0.029) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 MET CE :methyl -120:sc=-0.000101 (180deg=-0.511) USER MOD Single : A 66 ASN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 CYS SG : rot -118:sc= 1.26 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ -155:sc= 1.24 (180deg=1.24) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 135:sc= 0.845 (180deg=-3.59!) USER MOD Single : A 89 LYS NZ :NH3+ -176:sc= 0.8 (180deg=0.6) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 171:sc=-0.00474 (180deg=-0.0736) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl -159:sc= -0.239 (180deg=-1.12) USER MOD Single : A 97 GLN : amide:sc= -0.76 K(o=-0.76,f=-2.7!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 TYR OH : rot 180:sc= -1.04! USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 103 N LYS A 17 2.573 -13.683 7.060 1.00 0.00 N ATOM 104 CA LYS A 17 3.870 -13.287 6.593 1.00 0.00 C ATOM 105 C LYS A 17 3.692 -12.467 5.320 1.00 0.00 C ATOM 106 O LYS A 17 4.377 -11.481 5.106 1.00 0.00 O ATOM 107 CB LYS A 17 4.795 -14.503 6.320 1.00 0.00 C ATOM 108 CG LYS A 17 5.319 -15.261 7.559 1.00 0.00 C ATOM 109 CD LYS A 17 4.219 -15.948 8.362 1.00 0.00 C ATOM 110 CE LYS A 17 4.782 -16.742 9.541 1.00 0.00 C ATOM 111 NZ LYS A 17 5.550 -15.899 10.493 1.00 0.00 N ATOM 0 HA LYS A 17 4.352 -12.695 7.371 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.253 -15.210 5.691 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.653 -14.157 5.744 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.044 -16.009 7.238 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.848 -14.561 8.206 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.518 -15.199 8.731 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.657 -16.617 7.710 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.962 -17.225 10.072 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.428 -17.535 9.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.776 -16.454 11.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 6.432 -15.581 10.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.980 -15.071 10.761 1.00 0.00 H new ATOM 125 N SER A 18 2.737 -12.861 4.493 1.00 0.00 N ATOM 126 CA SER A 18 2.454 -12.135 3.268 1.00 0.00 C ATOM 127 C SER A 18 1.924 -10.722 3.576 1.00 0.00 C ATOM 128 O SER A 18 2.175 -9.824 2.835 1.00 0.00 O ATOM 129 CB SER A 18 1.485 -12.909 2.392 1.00 0.00 C ATOM 130 OG SER A 18 1.893 -14.264 2.281 1.00 0.00 O ATOM 0 H SER A 18 2.146 -13.678 4.648 1.00 0.00 H new ATOM 0 HA SER A 18 3.387 -12.025 2.715 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.482 -12.858 2.815 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.437 -12.455 1.402 1.00 0.00 H new ATOM 0 HG SER A 18 1.258 -14.751 1.715 1.00 0.00 H new ATOM 136 N LYS A 19 1.228 -10.556 4.700 1.00 0.00 N ATOM 137 CA LYS A 19 0.719 -9.263 5.161 1.00 0.00 C ATOM 138 C LYS A 19 1.880 -8.346 5.380 1.00 0.00 C ATOM 139 O LYS A 19 1.937 -7.295 4.790 1.00 0.00 O ATOM 140 CB LYS A 19 -0.066 -9.409 6.495 1.00 0.00 C ATOM 141 CG LYS A 19 -1.337 -10.226 6.484 1.00 0.00 C ATOM 142 CD LYS A 19 -2.485 -9.416 5.974 1.00 0.00 C ATOM 143 CE LYS A 19 -3.775 -10.155 6.149 1.00 0.00 C ATOM 144 NZ LYS A 19 -4.150 -10.329 7.577 1.00 0.00 N ATOM 0 H LYS A 19 0.998 -11.327 5.326 1.00 0.00 H new ATOM 0 HA LYS A 19 0.041 -8.865 4.406 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.607 -9.848 7.232 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.315 -8.408 6.847 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.202 -11.108 5.858 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.555 -10.580 7.491 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.530 -8.465 6.506 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.333 -9.185 4.920 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.570 -9.617 5.632 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.694 -11.134 5.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.165 -10.544 7.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.602 -11.112 7.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.946 -9.453 8.099 1.00 0.00 H new ATOM 158 N GLU A 20 2.828 -8.779 6.185 1.00 0.00 N ATOM 159 CA GLU A 20 3.977 -7.965 6.504 1.00 0.00 C ATOM 160 C GLU A 20 4.877 -7.722 5.290 1.00 0.00 C ATOM 161 O GLU A 20 5.375 -6.600 5.096 1.00 0.00 O ATOM 162 CB GLU A 20 4.745 -8.508 7.714 1.00 0.00 C ATOM 163 CG GLU A 20 5.067 -9.976 7.647 1.00 0.00 C ATOM 164 CD GLU A 20 5.880 -10.437 8.808 1.00 0.00 C ATOM 165 OE1 GLU A 20 5.310 -10.770 9.861 1.00 0.00 O ATOM 166 OE2 GLU A 20 7.108 -10.482 8.690 1.00 0.00 O ATOM 0 H GLU A 20 2.823 -9.696 6.632 1.00 0.00 H new ATOM 0 HA GLU A 20 3.598 -6.985 6.794 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.676 -7.950 7.817 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.159 -8.319 8.614 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.139 -10.547 7.608 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.608 -10.184 6.724 1.00 0.00 H new ATOM 173 N VAL A 21 5.057 -8.736 4.455 1.00 0.00 N ATOM 174 CA VAL A 21 5.867 -8.585 3.266 1.00 0.00 C ATOM 175 C VAL A 21 5.175 -7.641 2.288 1.00 0.00 C ATOM 176 O VAL A 21 5.794 -6.687 1.819 1.00 0.00 O ATOM 177 CB VAL A 21 6.217 -9.947 2.598 1.00 0.00 C ATOM 178 CG1 VAL A 21 7.032 -9.742 1.332 1.00 0.00 C ATOM 179 CG2 VAL A 21 6.998 -10.830 3.560 1.00 0.00 C ATOM 0 H VAL A 21 4.654 -9.664 4.582 1.00 0.00 H new ATOM 0 HA VAL A 21 6.820 -8.150 3.566 1.00 0.00 H new ATOM 0 HB VAL A 21 5.278 -10.436 2.338 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.262 -10.710 0.887 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.459 -9.144 0.624 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.960 -9.225 1.576 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.233 -11.777 3.075 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.923 -10.329 3.845 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.398 -11.018 4.450 1.00 0.00 H new ATOM 189 N PHE A 22 3.878 -7.856 2.070 1.00 0.00 N ATOM 190 CA PHE A 22 3.067 -7.013 1.190 1.00 0.00 C ATOM 191 C PHE A 22 3.053 -5.598 1.682 1.00 0.00 C ATOM 192 O PHE A 22 3.369 -4.673 0.928 1.00 0.00 O ATOM 193 CB PHE A 22 1.606 -7.541 1.094 1.00 0.00 C ATOM 194 CG PHE A 22 0.579 -6.480 0.730 1.00 0.00 C ATOM 195 CD1 PHE A 22 0.581 -5.873 -0.503 1.00 0.00 C ATOM 196 CD2 PHE A 22 -0.355 -6.067 1.655 1.00 0.00 C ATOM 197 CE1 PHE A 22 -0.321 -4.879 -0.804 1.00 0.00 C ATOM 198 CE2 PHE A 22 -1.256 -5.086 1.353 1.00 0.00 C ATOM 199 CZ PHE A 22 -1.246 -4.486 0.133 1.00 0.00 C ATOM 0 H PHE A 22 3.358 -8.621 2.499 1.00 0.00 H new ATOM 0 HA PHE A 22 3.517 -7.047 0.198 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.568 -8.337 0.350 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.329 -7.985 2.050 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.301 -6.181 -1.246 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.375 -6.525 2.633 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.302 -4.408 -1.776 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.984 -4.784 2.091 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.958 -3.708 -0.097 1.00 0.00 H new ATOM 209 N ARG A 23 2.684 -5.424 2.948 1.00 0.00 N ATOM 210 CA ARG A 23 2.627 -4.092 3.517 1.00 0.00 C ATOM 211 C ARG A 23 3.986 -3.401 3.404 1.00 0.00 C ATOM 212 O ARG A 23 4.043 -2.235 3.155 1.00 0.00 O ATOM 213 CB ARG A 23 2.054 -4.088 4.959 1.00 0.00 C ATOM 214 CG ARG A 23 2.956 -4.679 6.038 1.00 0.00 C ATOM 215 CD ARG A 23 3.850 -3.638 6.699 1.00 0.00 C ATOM 216 NE ARG A 23 3.086 -2.667 7.489 1.00 0.00 N ATOM 217 CZ ARG A 23 3.446 -1.386 7.689 1.00 0.00 C ATOM 218 NH1 ARG A 23 4.513 -0.874 7.063 1.00 0.00 N ATOM 219 NH2 ARG A 23 2.731 -0.620 8.501 1.00 0.00 N ATOM 0 H ARG A 23 2.425 -6.177 3.585 1.00 0.00 H new ATOM 0 HA ARG A 23 1.920 -3.505 2.931 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.819 -3.059 5.233 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.114 -4.640 4.957 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.339 -5.156 6.799 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.578 -5.458 5.598 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.572 -4.139 7.344 1.00 0.00 H new ATOM 0 HD3 ARG A 23 4.419 -3.112 5.932 1.00 0.00 H new ATOM 0 HE ARG A 23 2.218 -2.986 7.919 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.060 -1.456 6.429 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.779 0.098 7.220 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.911 -1.002 8.972 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.001 0.351 8.655 1.00 0.00 H new ATOM 233 N LYS A 24 5.077 -4.164 3.505 1.00 0.00 N ATOM 234 CA LYS A 24 6.401 -3.591 3.386 1.00 0.00 C ATOM 235 C LYS A 24 6.670 -3.087 1.963 1.00 0.00 C ATOM 236 O LYS A 24 7.092 -1.929 1.770 1.00 0.00 O ATOM 237 CB LYS A 24 7.472 -4.595 3.813 1.00 0.00 C ATOM 238 CG LYS A 24 8.884 -4.063 3.703 1.00 0.00 C ATOM 239 CD LYS A 24 9.888 -5.018 4.314 1.00 0.00 C ATOM 240 CE LYS A 24 11.310 -4.514 4.137 1.00 0.00 C ATOM 241 NZ LYS A 24 11.497 -3.147 4.681 1.00 0.00 N ATOM 0 H LYS A 24 5.061 -5.171 3.668 1.00 0.00 H new ATOM 0 HA LYS A 24 6.447 -2.733 4.057 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.286 -4.895 4.844 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.382 -5.491 3.199 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.130 -3.897 2.654 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.949 -3.096 4.203 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.674 -5.143 5.375 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.788 -5.999 3.851 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.999 -5.197 4.633 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.565 -4.518 3.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.512 -2.926 4.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.019 -2.460 4.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.091 -3.095 5.637 1.00 0.00 H new ATOM 255 N GLU A 25 6.376 -3.920 0.960 1.00 0.00 N ATOM 256 CA GLU A 25 6.627 -3.535 -0.406 1.00 0.00 C ATOM 257 C GLU A 25 5.683 -2.462 -0.883 1.00 0.00 C ATOM 258 O GLU A 25 6.016 -1.650 -1.746 1.00 0.00 O ATOM 259 CB GLU A 25 6.691 -4.716 -1.354 1.00 0.00 C ATOM 260 CG GLU A 25 5.806 -5.872 -1.024 1.00 0.00 C ATOM 261 CD GLU A 25 6.070 -7.013 -1.937 1.00 0.00 C ATOM 262 OE1 GLU A 25 5.508 -7.043 -3.021 1.00 0.00 O ATOM 263 OE2 GLU A 25 6.906 -7.884 -1.597 1.00 0.00 O ATOM 0 H GLU A 25 5.971 -4.848 1.079 1.00 0.00 H new ATOM 0 HA GLU A 25 7.624 -3.096 -0.414 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.439 -4.366 -2.355 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.721 -5.072 -1.390 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.972 -6.180 0.008 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.761 -5.571 -1.103 1.00 0.00 H new ATOM 270 N MET A 26 4.531 -2.432 -0.320 1.00 0.00 N ATOM 271 CA MET A 26 3.611 -1.396 -0.642 1.00 0.00 C ATOM 272 C MET A 26 3.952 -0.100 0.085 1.00 0.00 C ATOM 273 O MET A 26 3.806 0.952 -0.462 1.00 0.00 O ATOM 274 CB MET A 26 2.210 -1.845 -0.378 1.00 0.00 C ATOM 275 CG MET A 26 1.152 -0.819 -0.780 1.00 0.00 C ATOM 276 SD MET A 26 1.534 0.058 -2.337 1.00 0.00 S ATOM 277 CE MET A 26 1.161 -1.086 -3.652 1.00 0.00 C ATOM 0 H MET A 26 4.200 -3.110 0.366 1.00 0.00 H new ATOM 0 HA MET A 26 3.692 -1.180 -1.707 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.027 -2.774 -0.919 1.00 0.00 H new ATOM 0 HB3 MET A 26 2.103 -2.068 0.684 1.00 0.00 H new ATOM 0 HG2 MET A 26 0.191 -1.323 -0.883 1.00 0.00 H new ATOM 0 HG3 MET A 26 1.044 -0.088 0.021 1.00 0.00 H new ATOM 0 HE1 MET A 26 2.013 -1.153 -4.328 1.00 0.00 H new ATOM 0 HE2 MET A 26 0.953 -2.070 -3.231 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.288 -0.736 -4.202 1.00 0.00 H new ATOM 287 N SER A 27 4.452 -0.197 1.303 1.00 0.00 N ATOM 288 CA SER A 27 4.896 0.967 2.017 1.00 0.00 C ATOM 289 C SER A 27 6.003 1.621 1.254 1.00 0.00 C ATOM 290 O SER A 27 6.022 2.822 1.122 1.00 0.00 O ATOM 291 CB SER A 27 5.347 0.660 3.452 1.00 0.00 C ATOM 292 OG SER A 27 4.256 0.293 4.263 1.00 0.00 O ATOM 0 H SER A 27 4.557 -1.075 1.812 1.00 0.00 H new ATOM 0 HA SER A 27 4.044 1.641 2.103 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.081 -0.145 3.440 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.840 1.535 3.876 1.00 0.00 H new ATOM 0 HG SER A 27 4.040 -0.651 4.113 1.00 0.00 H new ATOM 298 N GLN A 28 6.889 0.826 0.686 1.00 0.00 N ATOM 299 CA GLN A 28 8.001 1.407 -0.065 1.00 0.00 C ATOM 300 C GLN A 28 7.535 1.994 -1.367 1.00 0.00 C ATOM 301 O GLN A 28 7.939 3.091 -1.749 1.00 0.00 O ATOM 302 CB GLN A 28 9.125 0.426 -0.298 1.00 0.00 C ATOM 303 CG GLN A 28 8.747 -0.843 -0.976 1.00 0.00 C ATOM 304 CD GLN A 28 9.901 -1.796 -1.208 1.00 0.00 C ATOM 305 OE1 GLN A 28 9.723 -3.011 -1.210 1.00 0.00 O ATOM 306 NE2 GLN A 28 11.074 -1.274 -1.437 1.00 0.00 N ATOM 0 H GLN A 28 6.870 -0.193 0.723 1.00 0.00 H new ATOM 0 HA GLN A 28 8.400 2.209 0.555 1.00 0.00 H new ATOM 0 HB2 GLN A 28 9.894 0.918 -0.893 1.00 0.00 H new ATOM 0 HB3 GLN A 28 9.574 0.182 0.665 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.989 -1.348 -0.378 1.00 0.00 H new ATOM 0 HG3 GLN A 28 8.289 -0.605 -1.936 1.00 0.00 H new ATOM 0 HE21 GLN A 28 11.192 -0.261 -1.429 1.00 0.00 H new ATOM 0 HE22 GLN A 28 11.874 -1.879 -1.624 1.00 0.00 H new ATOM 315 N PHE A 29 6.718 1.244 -2.039 1.00 0.00 N ATOM 316 CA PHE A 29 6.082 1.676 -3.275 1.00 0.00 C ATOM 317 C PHE A 29 5.298 2.994 -3.057 1.00 0.00 C ATOM 318 O PHE A 29 5.438 3.930 -3.832 1.00 0.00 O ATOM 319 CB PHE A 29 5.174 0.568 -3.823 1.00 0.00 C ATOM 320 CG PHE A 29 4.481 0.907 -5.097 1.00 0.00 C ATOM 321 CD1 PHE A 29 5.097 0.695 -6.313 1.00 0.00 C ATOM 322 CD2 PHE A 29 3.201 1.421 -5.080 1.00 0.00 C ATOM 323 CE1 PHE A 29 4.444 0.989 -7.485 1.00 0.00 C ATOM 324 CE2 PHE A 29 2.548 1.720 -6.242 1.00 0.00 C ATOM 325 CZ PHE A 29 3.166 1.503 -7.440 1.00 0.00 C ATOM 0 H PHE A 29 6.461 0.299 -1.753 1.00 0.00 H new ATOM 0 HA PHE A 29 6.857 1.873 -4.016 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.772 -0.330 -3.978 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.424 0.326 -3.070 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.100 0.295 -6.344 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.708 1.590 -4.134 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.929 0.819 -8.435 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.548 2.126 -6.213 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.649 1.736 -8.359 1.00 0.00 H new ATOM 335 N ILE A 30 4.497 3.051 -2.010 1.00 0.00 N ATOM 336 CA ILE A 30 3.751 4.254 -1.647 1.00 0.00 C ATOM 337 C ILE A 30 4.692 5.362 -1.273 1.00 0.00 C ATOM 338 O ILE A 30 4.497 6.498 -1.690 1.00 0.00 O ATOM 339 CB ILE A 30 2.738 4.004 -0.510 1.00 0.00 C ATOM 340 CG1 ILE A 30 1.616 3.125 -1.033 1.00 0.00 C ATOM 341 CG2 ILE A 30 2.188 5.328 0.038 1.00 0.00 C ATOM 342 CD1 ILE A 30 0.689 2.620 0.023 1.00 0.00 C ATOM 0 H ILE A 30 4.341 2.264 -1.381 1.00 0.00 H new ATOM 0 HA ILE A 30 3.178 4.548 -2.526 1.00 0.00 H new ATOM 0 HB ILE A 30 3.240 3.497 0.314 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.040 3.689 -1.766 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.051 2.273 -1.556 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.477 5.123 0.838 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.009 5.930 0.428 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.687 5.873 -0.762 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.082 2.001 -0.436 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.249 2.026 0.745 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.222 3.464 0.531 1.00 0.00 H new ATOM 354 N VAL A 31 5.707 5.047 -0.491 1.00 0.00 N ATOM 355 CA VAL A 31 6.751 6.032 -0.187 1.00 0.00 C ATOM 356 C VAL A 31 7.314 6.627 -1.484 1.00 0.00 C ATOM 357 O VAL A 31 7.426 7.843 -1.621 1.00 0.00 O ATOM 358 CB VAL A 31 7.874 5.400 0.693 1.00 0.00 C ATOM 359 CG1 VAL A 31 9.158 6.223 0.690 1.00 0.00 C ATOM 360 CG2 VAL A 31 7.371 5.274 2.123 1.00 0.00 C ATOM 0 H VAL A 31 5.839 4.134 -0.056 1.00 0.00 H new ATOM 0 HA VAL A 31 6.308 6.844 0.390 1.00 0.00 H new ATOM 0 HB VAL A 31 8.110 4.424 0.269 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.904 5.736 1.318 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.537 6.302 -0.329 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.952 7.220 1.078 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.150 4.833 2.745 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.115 6.262 2.507 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.487 4.637 2.143 1.00 0.00 H new ATOM 370 N GLN A 32 7.591 5.765 -2.438 1.00 0.00 N ATOM 371 CA GLN A 32 8.086 6.142 -3.748 1.00 0.00 C ATOM 372 C GLN A 32 7.087 7.050 -4.458 1.00 0.00 C ATOM 373 O GLN A 32 7.461 8.028 -5.107 1.00 0.00 O ATOM 374 CB GLN A 32 8.289 4.877 -4.555 1.00 0.00 C ATOM 375 CG GLN A 32 8.759 5.083 -5.959 1.00 0.00 C ATOM 376 CD GLN A 32 8.989 3.772 -6.655 1.00 0.00 C ATOM 377 OE1 GLN A 32 10.086 3.218 -6.591 1.00 0.00 O ATOM 378 NE2 GLN A 32 7.980 3.254 -7.301 1.00 0.00 N ATOM 0 H GLN A 32 7.476 4.758 -2.323 1.00 0.00 H new ATOM 0 HA GLN A 32 9.025 6.686 -3.644 1.00 0.00 H new ATOM 0 HB2 GLN A 32 9.012 4.247 -4.036 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.348 4.328 -4.581 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.021 5.665 -6.510 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.683 5.662 -5.954 1.00 0.00 H new ATOM 0 HE21 GLN A 32 7.087 3.745 -7.330 1.00 0.00 H new ATOM 0 HE22 GLN A 32 8.085 2.358 -7.777 1.00 0.00 H new ATOM 387 N CYS A 33 5.828 6.695 -4.326 1.00 0.00 N ATOM 388 CA CYS A 33 4.735 7.434 -4.903 1.00 0.00 C ATOM 389 C CYS A 33 4.599 8.816 -4.275 1.00 0.00 C ATOM 390 O CYS A 33 4.321 9.773 -4.961 1.00 0.00 O ATOM 391 CB CYS A 33 3.435 6.667 -4.728 1.00 0.00 C ATOM 392 SG CYS A 33 3.375 5.075 -5.560 1.00 0.00 S ATOM 0 H CYS A 33 5.533 5.869 -3.805 1.00 0.00 H new ATOM 0 HA CYS A 33 4.948 7.561 -5.964 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.264 6.510 -3.663 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.615 7.283 -5.096 1.00 0.00 H new ATOM 0 HG CYS A 33 4.259 4.278 -5.037 1.00 0.00 H new ATOM 398 N LEU A 34 4.795 8.894 -2.976 1.00 0.00 N ATOM 399 CA LEU A 34 4.673 10.143 -2.235 1.00 0.00 C ATOM 400 C LEU A 34 5.916 11.019 -2.345 1.00 0.00 C ATOM 401 O LEU A 34 5.851 12.220 -2.075 1.00 0.00 O ATOM 402 CB LEU A 34 4.323 9.890 -0.777 1.00 0.00 C ATOM 403 CG LEU A 34 2.970 9.247 -0.501 1.00 0.00 C ATOM 404 CD1 LEU A 34 2.789 9.057 0.986 1.00 0.00 C ATOM 405 CD2 LEU A 34 1.833 10.094 -1.067 1.00 0.00 C ATOM 0 H LEU A 34 5.045 8.092 -2.397 1.00 0.00 H new ATOM 0 HA LEU A 34 3.854 10.693 -2.698 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.096 9.254 -0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.362 10.842 -0.247 1.00 0.00 H new ATOM 0 HG LEU A 34 2.943 8.276 -0.995 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.820 8.597 1.179 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.580 8.412 1.369 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.837 10.025 1.485 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.879 9.611 -0.855 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.850 11.081 -0.605 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.957 10.196 -2.145 1.00 0.00 H new ATOM 417 N ASN A 35 7.055 10.410 -2.678 1.00 0.00 N ATOM 418 CA ASN A 35 8.296 11.144 -2.974 1.00 0.00 C ATOM 419 C ASN A 35 8.137 12.459 -3.763 1.00 0.00 C ATOM 420 O ASN A 35 8.616 13.488 -3.307 1.00 0.00 O ATOM 421 CB ASN A 35 9.309 10.249 -3.630 1.00 0.00 C ATOM 422 CG ASN A 35 10.257 9.868 -2.608 1.00 0.00 C ATOM 423 OD1 ASN A 35 11.342 10.417 -2.509 1.00 0.00 O ATOM 424 ND2 ASN A 35 9.821 9.027 -1.762 1.00 0.00 N ATOM 0 H ASN A 35 7.148 9.397 -2.751 1.00 0.00 H new ATOM 0 HA ASN A 35 8.653 11.461 -1.994 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.828 9.369 -4.057 1.00 0.00 H new ATOM 0 HB3 ASN A 35 9.810 10.767 -4.448 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.387 8.781 -0.950 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.905 8.598 -1.895 1.00 0.00 H new ATOM 431 N PRO A 36 7.451 12.475 -4.943 1.00 0.00 N ATOM 432 CA PRO A 36 7.258 13.714 -5.717 1.00 0.00 C ATOM 433 C PRO A 36 6.350 14.721 -5.013 1.00 0.00 C ATOM 434 O PRO A 36 6.379 15.910 -5.307 1.00 0.00 O ATOM 435 CB PRO A 36 6.604 13.244 -7.024 1.00 0.00 C ATOM 436 CG PRO A 36 5.992 11.934 -6.699 1.00 0.00 C ATOM 437 CD PRO A 36 6.853 11.316 -5.638 1.00 0.00 C ATOM 0 HA PRO A 36 8.205 14.234 -5.860 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.853 13.956 -7.368 1.00 0.00 H new ATOM 0 HB3 PRO A 36 7.341 13.148 -7.821 1.00 0.00 H new ATOM 0 HG2 PRO A 36 4.969 12.061 -6.344 1.00 0.00 H new ATOM 0 HG3 PRO A 36 5.946 11.297 -7.582 1.00 0.00 H new ATOM 0 HD2 PRO A 36 6.266 10.701 -4.956 1.00 0.00 H new ATOM 0 HD3 PRO A 36 7.618 10.671 -6.070 1.00 0.00 H new ATOM 445 N TYR A 37 5.593 14.251 -4.058 1.00 0.00 N ATOM 446 CA TYR A 37 4.645 15.095 -3.379 1.00 0.00 C ATOM 447 C TYR A 37 5.297 15.853 -2.275 1.00 0.00 C ATOM 448 O TYR A 37 4.877 16.928 -1.940 1.00 0.00 O ATOM 449 CB TYR A 37 3.467 14.293 -2.841 1.00 0.00 C ATOM 450 CG TYR A 37 2.613 13.673 -3.909 1.00 0.00 C ATOM 451 CD1 TYR A 37 2.955 12.473 -4.485 1.00 0.00 C ATOM 452 CD2 TYR A 37 1.464 14.293 -4.334 1.00 0.00 C ATOM 453 CE1 TYR A 37 2.181 11.903 -5.462 1.00 0.00 C ATOM 454 CE2 TYR A 37 0.677 13.735 -5.308 1.00 0.00 C ATOM 455 CZ TYR A 37 1.037 12.539 -5.871 1.00 0.00 C ATOM 456 OH TYR A 37 0.252 11.985 -6.855 1.00 0.00 O ATOM 0 H TYR A 37 5.614 13.285 -3.731 1.00 0.00 H new ATOM 0 HA TYR A 37 4.265 15.806 -4.112 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.844 13.505 -2.189 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.846 14.945 -2.227 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.853 11.968 -4.161 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.175 15.236 -3.894 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.469 10.962 -5.906 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.224 14.236 -5.630 1.00 0.00 H new ATOM 0 HH TYR A 37 0.331 11.009 -6.826 1.00 0.00 H new ATOM 466 N ARG A 38 6.349 15.315 -1.728 1.00 0.00 N ATOM 467 CA ARG A 38 7.009 15.986 -0.613 1.00 0.00 C ATOM 468 C ARG A 38 8.007 17.008 -1.113 1.00 0.00 C ATOM 469 O ARG A 38 8.602 17.756 -0.329 1.00 0.00 O ATOM 470 CB ARG A 38 7.681 14.996 0.311 1.00 0.00 C ATOM 471 CG ARG A 38 8.767 14.198 -0.349 1.00 0.00 C ATOM 472 CD ARG A 38 9.420 13.294 0.642 1.00 0.00 C ATOM 473 NE ARG A 38 10.485 12.497 0.060 1.00 0.00 N ATOM 474 CZ ARG A 38 11.202 11.585 0.729 1.00 0.00 C ATOM 475 NH1 ARG A 38 11.027 11.408 2.039 1.00 0.00 N ATOM 476 NH2 ARG A 38 12.096 10.872 0.093 1.00 0.00 N ATOM 0 H ARG A 38 6.771 14.433 -2.018 1.00 0.00 H new ATOM 0 HA ARG A 38 6.239 16.505 -0.042 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.102 15.533 1.161 1.00 0.00 H new ATOM 0 HB3 ARG A 38 6.929 14.313 0.706 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.350 13.611 -1.167 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.508 14.869 -0.783 1.00 0.00 H new ATOM 0 HD2 ARG A 38 9.824 13.890 1.460 1.00 0.00 H new ATOM 0 HD3 ARG A 38 8.669 12.631 1.072 1.00 0.00 H new ATOM 0 HE ARG A 38 10.702 12.642 -0.926 1.00 0.00 H new ATOM 0 HH11 ARG A 38 10.341 11.970 2.542 1.00 0.00 H new ATOM 0 HH12 ARG A 38 11.579 10.710 2.538 1.00 0.00 H new ATOM 0 HH21 ARG A 38 12.243 11.013 -0.906 1.00 0.00 H new ATOM 0 HH22 ARG A 38 12.645 10.176 0.597 1.00 0.00 H new ATOM 490 N LYS A 39 8.165 17.054 -2.406 1.00 0.00 N ATOM 491 CA LYS A 39 9.058 17.997 -3.029 1.00 0.00 C ATOM 492 C LYS A 39 8.438 19.382 -2.905 1.00 0.00 C ATOM 493 O LYS A 39 7.235 19.529 -3.073 1.00 0.00 O ATOM 494 CB LYS A 39 9.264 17.651 -4.512 1.00 0.00 C ATOM 495 CG LYS A 39 9.753 16.233 -4.764 1.00 0.00 C ATOM 496 CD LYS A 39 11.059 15.950 -4.048 1.00 0.00 C ATOM 497 CE LYS A 39 11.503 14.515 -4.256 1.00 0.00 C ATOM 498 NZ LYS A 39 11.814 14.206 -5.665 1.00 0.00 N ATOM 0 H LYS A 39 7.680 16.440 -3.060 1.00 0.00 H new ATOM 0 HA LYS A 39 10.031 17.964 -2.538 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.322 17.797 -5.041 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.982 18.351 -4.940 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.995 15.523 -4.432 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.885 16.080 -5.835 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.830 16.628 -4.413 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.941 16.145 -2.982 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.384 14.321 -3.644 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.718 13.844 -3.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.239 13.259 -5.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.939 14.231 -6.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.483 14.910 -6.035 1.00 0.00 H new ATOM 512 N PRO A 40 9.225 20.408 -2.593 1.00 0.00 N ATOM 513 CA PRO A 40 8.704 21.766 -2.428 1.00 0.00 C ATOM 514 C PRO A 40 8.099 22.338 -3.712 1.00 0.00 C ATOM 515 O PRO A 40 7.308 23.270 -3.666 1.00 0.00 O ATOM 516 CB PRO A 40 9.905 22.587 -1.969 1.00 0.00 C ATOM 517 CG PRO A 40 11.106 21.770 -2.316 1.00 0.00 C ATOM 518 CD PRO A 40 10.674 20.335 -2.347 1.00 0.00 C ATOM 0 HA PRO A 40 7.882 21.783 -1.713 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.932 23.555 -2.469 1.00 0.00 H new ATOM 0 HB3 PRO A 40 9.860 22.782 -0.898 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.509 22.071 -3.283 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.897 21.918 -1.581 1.00 0.00 H new ATOM 0 HD2 PRO A 40 11.186 19.780 -3.134 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.895 19.831 -1.406 1.00 0.00 H new ATOM 526 N ASP A 41 8.415 21.731 -4.845 1.00 0.00 N ATOM 527 CA ASP A 41 7.923 22.169 -6.107 1.00 0.00 C ATOM 528 C ASP A 41 6.618 21.460 -6.466 1.00 0.00 C ATOM 529 O ASP A 41 6.055 21.697 -7.534 1.00 0.00 O ATOM 530 CB ASP A 41 8.968 21.932 -7.187 1.00 0.00 C ATOM 531 CG ASP A 41 9.365 20.486 -7.358 1.00 0.00 C ATOM 532 OD1 ASP A 41 10.262 20.025 -6.616 1.00 0.00 O ATOM 533 OD2 ASP A 41 8.801 19.792 -8.240 1.00 0.00 O ATOM 0 H ASP A 41 9.026 20.916 -4.897 1.00 0.00 H new ATOM 0 HA ASP A 41 7.718 23.237 -6.040 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.584 22.306 -8.136 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.858 22.516 -6.950 1.00 0.00 H new ATOM 538 N CYS A 42 6.145 20.611 -5.570 1.00 0.00 N ATOM 539 CA CYS A 42 4.901 19.906 -5.775 1.00 0.00 C ATOM 540 C CYS A 42 3.731 20.893 -5.749 1.00 0.00 C ATOM 541 O CYS A 42 3.619 21.747 -4.838 1.00 0.00 O ATOM 542 CB CYS A 42 4.707 18.809 -4.730 1.00 0.00 C ATOM 543 SG CYS A 42 3.215 17.818 -4.950 1.00 0.00 S ATOM 0 H CYS A 42 6.611 20.395 -4.689 1.00 0.00 H new ATOM 0 HA CYS A 42 4.936 19.425 -6.753 1.00 0.00 H new ATOM 0 HB2 CYS A 42 5.573 18.148 -4.751 1.00 0.00 H new ATOM 0 HB3 CYS A 42 4.680 19.268 -3.741 1.00 0.00 H new ATOM 0 HG CYS A 42 2.232 18.362 -4.295 1.00 0.00 H new ATOM 549 N LYS A 43 2.901 20.813 -6.758 1.00 0.00 N ATOM 550 CA LYS A 43 1.761 21.693 -6.889 1.00 0.00 C ATOM 551 C LYS A 43 0.498 21.073 -6.334 1.00 0.00 C ATOM 552 O LYS A 43 -0.409 21.789 -5.908 1.00 0.00 O ATOM 553 CB LYS A 43 1.533 22.063 -8.343 1.00 0.00 C ATOM 554 CG LYS A 43 2.613 22.937 -8.952 1.00 0.00 C ATOM 555 CD LYS A 43 2.248 23.309 -10.374 1.00 0.00 C ATOM 556 CE LYS A 43 3.179 24.359 -10.945 1.00 0.00 C ATOM 557 NZ LYS A 43 4.563 23.872 -11.117 1.00 0.00 N ATOM 0 H LYS A 43 2.994 20.135 -7.515 1.00 0.00 H new ATOM 0 HA LYS A 43 1.989 22.588 -6.310 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.453 21.147 -8.928 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.577 22.579 -8.427 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.740 23.839 -8.354 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.567 22.410 -8.940 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.279 22.418 -11.001 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.224 23.681 -10.400 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.794 24.692 -11.909 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.185 25.228 -10.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.152 24.633 -11.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.945 23.579 -10.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.567 23.060 -11.767 1.00 0.00 H new ATOM 571 N VAL A 44 0.426 19.758 -6.351 1.00 0.00 N ATOM 572 CA VAL A 44 -0.768 19.070 -5.895 1.00 0.00 C ATOM 573 C VAL A 44 -0.436 18.049 -4.823 1.00 0.00 C ATOM 574 O VAL A 44 0.251 17.073 -5.087 1.00 0.00 O ATOM 575 CB VAL A 44 -1.534 18.352 -7.045 1.00 0.00 C ATOM 576 CG1 VAL A 44 -2.824 17.730 -6.525 1.00 0.00 C ATOM 577 CG2 VAL A 44 -1.830 19.293 -8.206 1.00 0.00 C ATOM 0 H VAL A 44 1.175 19.145 -6.674 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.415 19.847 -5.488 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.886 17.560 -7.420 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.344 17.233 -7.344 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.590 17.001 -5.749 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.462 18.510 -6.110 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.365 18.751 -8.986 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.443 20.123 -7.855 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.894 19.679 -8.609 1.00 0.00 H new ATOM 587 N GLY A 45 -0.951 18.274 -3.641 1.00 0.00 N ATOM 588 CA GLY A 45 -0.741 17.376 -2.530 1.00 0.00 C ATOM 589 C GLY A 45 0.684 17.410 -2.019 1.00 0.00 C ATOM 590 O GLY A 45 1.261 16.367 -1.751 1.00 0.00 O ATOM 0 H GLY A 45 -1.528 19.085 -3.420 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.421 17.640 -1.720 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.990 16.360 -2.836 1.00 0.00 H new ATOM 594 N ARG A 46 1.269 18.597 -1.896 1.00 0.00 N ATOM 595 CA ARG A 46 2.625 18.702 -1.397 1.00 0.00 C ATOM 596 C ARG A 46 2.715 18.342 0.079 1.00 0.00 C ATOM 597 O ARG A 46 2.076 18.966 0.921 1.00 0.00 O ATOM 598 CB ARG A 46 3.203 20.092 -1.619 1.00 0.00 C ATOM 599 CG ARG A 46 4.616 20.230 -1.074 1.00 0.00 C ATOM 600 CD ARG A 46 5.219 21.584 -1.359 1.00 0.00 C ATOM 601 NE ARG A 46 4.411 22.689 -0.854 1.00 0.00 N ATOM 602 CZ ARG A 46 4.373 23.124 0.414 1.00 0.00 C ATOM 603 NH1 ARG A 46 5.088 22.523 1.364 1.00 0.00 N ATOM 604 NH2 ARG A 46 3.632 24.182 0.720 1.00 0.00 N ATOM 0 H ARG A 46 0.828 19.486 -2.133 1.00 0.00 H new ATOM 0 HA ARG A 46 3.215 17.984 -1.966 1.00 0.00 H new ATOM 0 HB2 ARG A 46 3.205 20.315 -2.686 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.559 20.830 -1.141 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.604 20.061 0.003 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.247 19.456 -1.511 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.212 21.634 -0.912 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.348 21.698 -2.435 1.00 0.00 H new ATOM 0 HE ARG A 46 3.820 23.176 -1.528 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.674 21.721 1.131 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.049 22.865 2.324 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.097 24.657 -0.007 1.00 0.00 H new ATOM 0 HH22 ARG A 46 3.597 24.519 1.682 1.00 0.00 H new ATOM 618 N ILE A 47 3.505 17.355 0.377 1.00 0.00 N ATOM 619 CA ILE A 47 3.708 16.929 1.732 1.00 0.00 C ATOM 620 C ILE A 47 4.616 17.896 2.470 1.00 0.00 C ATOM 621 O ILE A 47 5.742 18.186 2.047 1.00 0.00 O ATOM 622 CB ILE A 47 4.231 15.477 1.831 1.00 0.00 C ATOM 623 CG1 ILE A 47 3.281 14.543 1.064 1.00 0.00 C ATOM 624 CG2 ILE A 47 4.359 15.069 3.286 1.00 0.00 C ATOM 625 CD1 ILE A 47 3.710 13.103 1.011 1.00 0.00 C ATOM 0 H ILE A 47 4.030 16.819 -0.314 1.00 0.00 H new ATOM 0 HA ILE A 47 2.731 16.935 2.216 1.00 0.00 H new ATOM 0 HB ILE A 47 5.221 15.406 1.381 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.294 14.596 1.524 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.177 14.913 0.044 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.728 14.045 3.346 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.057 15.736 3.791 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.384 15.132 3.769 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.976 12.525 0.449 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.681 13.030 0.521 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.784 12.708 2.024 1.00 0.00 H new ATOM 637 N THR A 48 4.071 18.426 3.507 1.00 0.00 N ATOM 638 CA THR A 48 4.688 19.365 4.391 1.00 0.00 C ATOM 639 C THR A 48 5.911 18.829 5.125 1.00 0.00 C ATOM 640 O THR A 48 7.020 19.376 5.001 1.00 0.00 O ATOM 641 CB THR A 48 3.636 19.732 5.409 1.00 0.00 C ATOM 642 OG1 THR A 48 2.836 18.559 5.636 1.00 0.00 O ATOM 643 CG2 THR A 48 2.760 20.779 4.874 1.00 0.00 C ATOM 0 H THR A 48 3.115 18.203 3.784 1.00 0.00 H new ATOM 0 HA THR A 48 5.047 20.207 3.799 1.00 0.00 H new ATOM 0 HB THR A 48 4.110 20.090 6.323 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.246 18.015 6.341 1.00 0.00 H new ATOM 0 HG21 THR A 48 2.005 21.036 5.617 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.352 21.663 4.637 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.271 20.417 3.970 1.00 0.00 H new ATOM 651 N THR A 49 5.710 17.780 5.871 1.00 0.00 N ATOM 652 CA THR A 49 6.742 17.292 6.768 1.00 0.00 C ATOM 653 C THR A 49 6.908 15.782 6.624 1.00 0.00 C ATOM 654 O THR A 49 6.013 15.097 6.132 1.00 0.00 O ATOM 655 CB THR A 49 6.327 17.593 8.234 1.00 0.00 C ATOM 656 OG1 THR A 49 5.685 18.877 8.301 1.00 0.00 O ATOM 657 CG2 THR A 49 7.526 17.599 9.170 1.00 0.00 C ATOM 0 H THR A 49 4.845 17.240 5.882 1.00 0.00 H new ATOM 0 HA THR A 49 7.680 17.788 6.518 1.00 0.00 H new ATOM 0 HB THR A 49 5.644 16.804 8.550 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.723 18.770 8.149 1.00 0.00 H new ATOM 0 HG21 THR A 49 7.194 17.813 10.186 1.00 0.00 H new ATOM 0 HG22 THR A 49 8.012 16.624 9.145 1.00 0.00 H new ATOM 0 HG23 THR A 49 8.233 18.365 8.851 1.00 0.00 H new ATOM 665 N THR A 50 8.039 15.286 7.066 1.00 0.00 N ATOM 666 CA THR A 50 8.339 13.879 7.108 1.00 0.00 C ATOM 667 C THR A 50 7.313 13.118 7.944 1.00 0.00 C ATOM 668 O THR A 50 6.874 12.050 7.557 1.00 0.00 O ATOM 669 CB THR A 50 9.763 13.679 7.655 1.00 0.00 C ATOM 670 OG1 THR A 50 10.148 12.292 7.688 1.00 0.00 O ATOM 671 CG2 THR A 50 9.944 14.300 9.012 1.00 0.00 C ATOM 0 H THR A 50 8.798 15.871 7.417 1.00 0.00 H new ATOM 0 HA THR A 50 8.287 13.475 6.097 1.00 0.00 H new ATOM 0 HB THR A 50 10.422 14.194 6.956 1.00 0.00 H new ATOM 0 HG1 THR A 50 11.059 12.214 8.041 1.00 0.00 H new ATOM 0 HG21 THR A 50 10.965 14.132 9.356 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.753 15.371 8.950 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.245 13.847 9.715 1.00 0.00 H new ATOM 679 N GLU A 51 6.906 13.705 9.069 1.00 0.00 N ATOM 680 CA GLU A 51 5.863 13.151 9.905 1.00 0.00 C ATOM 681 C GLU A 51 4.593 12.966 9.115 1.00 0.00 C ATOM 682 O GLU A 51 3.913 11.942 9.252 1.00 0.00 O ATOM 683 CB GLU A 51 5.598 14.046 11.095 1.00 0.00 C ATOM 684 CG GLU A 51 6.548 13.873 12.246 1.00 0.00 C ATOM 685 CD GLU A 51 7.997 14.004 11.914 1.00 0.00 C ATOM 686 OE1 GLU A 51 8.480 15.126 11.758 1.00 0.00 O ATOM 687 OE2 GLU A 51 8.699 12.962 11.857 1.00 0.00 O ATOM 0 H GLU A 51 7.296 14.580 9.420 1.00 0.00 H new ATOM 0 HA GLU A 51 6.202 12.179 10.264 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.637 15.084 10.765 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.584 13.862 11.450 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.301 14.609 13.011 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.382 12.889 12.685 1.00 0.00 H new ATOM 694 N ASP A 52 4.307 13.907 8.250 1.00 0.00 N ATOM 695 CA ASP A 52 3.102 13.872 7.439 1.00 0.00 C ATOM 696 C ASP A 52 3.247 12.840 6.377 1.00 0.00 C ATOM 697 O ASP A 52 2.343 12.051 6.126 1.00 0.00 O ATOM 698 CB ASP A 52 2.881 15.215 6.768 1.00 0.00 C ATOM 699 CG ASP A 52 2.579 16.334 7.722 1.00 0.00 C ATOM 700 OD1 ASP A 52 1.529 16.331 8.365 1.00 0.00 O ATOM 701 OD2 ASP A 52 3.401 17.274 7.828 1.00 0.00 O ATOM 0 H ASP A 52 4.899 14.721 8.084 1.00 0.00 H new ATOM 0 HA ASP A 52 2.256 13.639 8.086 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.770 15.472 6.193 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.058 15.124 6.059 1.00 0.00 H new ATOM 706 N PHE A 53 4.415 12.829 5.785 1.00 0.00 N ATOM 707 CA PHE A 53 4.786 11.890 4.759 1.00 0.00 C ATOM 708 C PHE A 53 4.621 10.437 5.289 1.00 0.00 C ATOM 709 O PHE A 53 3.991 9.600 4.653 1.00 0.00 O ATOM 710 CB PHE A 53 6.236 12.160 4.318 1.00 0.00 C ATOM 711 CG PHE A 53 6.783 11.196 3.316 1.00 0.00 C ATOM 712 CD1 PHE A 53 6.633 11.427 1.972 1.00 0.00 C ATOM 713 CD2 PHE A 53 7.444 10.056 3.728 1.00 0.00 C ATOM 714 CE1 PHE A 53 7.125 10.544 1.047 1.00 0.00 C ATOM 715 CE2 PHE A 53 7.937 9.166 2.811 1.00 0.00 C ATOM 716 CZ PHE A 53 7.774 9.414 1.460 1.00 0.00 C ATOM 0 H PHE A 53 5.155 13.493 6.011 1.00 0.00 H new ATOM 0 HA PHE A 53 4.134 12.010 3.894 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.291 13.165 3.900 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.876 12.146 5.200 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.120 12.317 1.639 1.00 0.00 H new ATOM 0 HD2 PHE A 53 7.573 9.864 4.783 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.000 10.741 -0.008 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.450 8.275 3.141 1.00 0.00 H new ATOM 0 HZ PHE A 53 8.159 8.715 0.732 1.00 0.00 H new ATOM 726 N LYS A 54 5.162 10.191 6.465 1.00 0.00 N ATOM 727 CA LYS A 54 5.095 8.896 7.127 1.00 0.00 C ATOM 728 C LYS A 54 3.671 8.544 7.518 1.00 0.00 C ATOM 729 O LYS A 54 3.239 7.398 7.352 1.00 0.00 O ATOM 730 CB LYS A 54 5.994 8.911 8.364 1.00 0.00 C ATOM 731 CG LYS A 54 7.471 9.044 8.017 1.00 0.00 C ATOM 732 CD LYS A 54 8.388 9.241 9.228 1.00 0.00 C ATOM 733 CE LYS A 54 8.514 8.006 10.145 1.00 0.00 C ATOM 734 NZ LYS A 54 7.309 7.720 10.962 1.00 0.00 N ATOM 0 H LYS A 54 5.670 10.895 7.000 1.00 0.00 H new ATOM 0 HA LYS A 54 5.442 8.134 6.429 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.701 9.738 9.011 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.840 7.993 8.931 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.787 8.151 7.478 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.598 9.888 7.339 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.381 9.518 8.874 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.015 10.079 9.817 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.736 7.134 9.530 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.364 8.150 10.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.598 7.457 11.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.706 8.567 11.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.777 6.936 10.534 1.00 0.00 H new ATOM 748 N HIS A 55 2.925 9.549 7.975 1.00 0.00 N ATOM 749 CA HIS A 55 1.524 9.381 8.378 1.00 0.00 C ATOM 750 C HIS A 55 0.720 8.952 7.173 1.00 0.00 C ATOM 751 O HIS A 55 -0.080 8.006 7.230 1.00 0.00 O ATOM 752 CB HIS A 55 0.973 10.713 8.938 1.00 0.00 C ATOM 753 CG HIS A 55 -0.491 10.714 9.326 1.00 0.00 C ATOM 754 ND1 HIS A 55 -0.938 10.415 10.590 1.00 0.00 N ATOM 755 CD2 HIS A 55 -1.602 10.995 8.597 1.00 0.00 C ATOM 756 CE1 HIS A 55 -2.249 10.506 10.631 1.00 0.00 C ATOM 757 NE2 HIS A 55 -2.681 10.857 9.432 1.00 0.00 N ATOM 0 H HIS A 55 3.272 10.503 8.077 1.00 0.00 H new ATOM 0 HA HIS A 55 1.451 8.622 9.157 1.00 0.00 H new ATOM 0 HB2 HIS A 55 1.561 10.987 9.814 1.00 0.00 H new ATOM 0 HB3 HIS A 55 1.131 11.491 8.192 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -1.630 11.275 7.554 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -2.868 10.325 11.497 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -3.656 11.001 9.171 1.00 0.00 H new ATOM 765 N LEU A 56 0.930 9.628 6.099 1.00 0.00 N ATOM 766 CA LEU A 56 0.235 9.321 4.910 1.00 0.00 C ATOM 767 C LEU A 56 0.659 7.994 4.327 1.00 0.00 C ATOM 768 O LEU A 56 -0.206 7.176 4.012 1.00 0.00 O ATOM 769 CB LEU A 56 0.365 10.402 3.868 1.00 0.00 C ATOM 770 CG LEU A 56 -0.915 11.015 3.347 1.00 0.00 C ATOM 771 CD1 LEU A 56 -0.691 11.648 1.998 1.00 0.00 C ATOM 772 CD2 LEU A 56 -2.106 10.067 3.375 1.00 0.00 C ATOM 0 H LEU A 56 1.586 10.405 6.025 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.814 9.252 5.197 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.978 11.201 4.285 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.912 9.990 3.020 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.193 11.808 4.041 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.624 12.083 1.641 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.064 12.429 2.084 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.351 10.890 1.292 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.987 10.578 2.986 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.891 9.194 2.758 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.294 9.749 4.401 1.00 0.00 H new ATOM 784 N ALA A 57 1.975 7.753 4.215 1.00 0.00 N ATOM 785 CA ALA A 57 2.470 6.507 3.634 1.00 0.00 C ATOM 786 C ALA A 57 1.886 5.311 4.372 1.00 0.00 C ATOM 787 O ALA A 57 1.433 4.332 3.744 1.00 0.00 O ATOM 788 CB ALA A 57 3.986 6.455 3.599 1.00 0.00 C ATOM 0 H ALA A 57 2.704 8.400 4.517 1.00 0.00 H new ATOM 0 HA ALA A 57 2.136 6.468 2.597 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.308 5.511 3.159 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.365 7.282 2.999 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.376 6.534 4.614 1.00 0.00 H new ATOM 794 N ARG A 58 1.807 5.428 5.687 1.00 0.00 N ATOM 795 CA ARG A 58 1.274 4.335 6.495 1.00 0.00 C ATOM 796 C ARG A 58 -0.230 4.172 6.263 1.00 0.00 C ATOM 797 O ARG A 58 -0.714 3.049 6.049 1.00 0.00 O ATOM 798 CB ARG A 58 1.603 4.472 7.999 1.00 0.00 C ATOM 799 CG ARG A 58 0.893 5.588 8.735 1.00 0.00 C ATOM 800 CD ARG A 58 1.292 5.648 10.189 1.00 0.00 C ATOM 801 NE ARG A 58 0.989 4.402 10.905 1.00 0.00 N ATOM 802 CZ ARG A 58 0.784 4.295 12.225 1.00 0.00 C ATOM 803 NH1 ARG A 58 0.763 5.382 13.004 1.00 0.00 N ATOM 804 NH2 ARG A 58 0.587 3.095 12.756 1.00 0.00 N ATOM 0 H ARG A 58 2.098 6.251 6.214 1.00 0.00 H new ATOM 0 HA ARG A 58 1.777 3.427 6.162 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.363 3.529 8.490 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.678 4.621 8.103 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.121 6.541 8.257 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.185 5.444 8.660 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.360 5.855 10.262 1.00 0.00 H new ATOM 0 HD3 ARG A 58 0.773 6.476 10.671 1.00 0.00 H new ATOM 0 HE ARG A 58 0.930 3.547 10.352 1.00 0.00 H new ATOM 0 HH11 ARG A 58 0.904 6.306 12.595 1.00 0.00 H new ATOM 0 HH12 ARG A 58 0.606 5.287 14.007 1.00 0.00 H new ATOM 0 HH21 ARG A 58 0.593 2.267 12.161 1.00 0.00 H new ATOM 0 HH22 ARG A 58 0.430 3.001 13.759 1.00 0.00 H new ATOM 818 N LYS A 59 -0.961 5.302 6.254 1.00 0.00 N ATOM 819 CA LYS A 59 -2.402 5.288 6.031 1.00 0.00 C ATOM 820 C LYS A 59 -2.737 4.630 4.695 1.00 0.00 C ATOM 821 O LYS A 59 -3.596 3.753 4.618 1.00 0.00 O ATOM 822 CB LYS A 59 -2.985 6.715 6.024 1.00 0.00 C ATOM 823 CG LYS A 59 -4.467 6.741 5.655 1.00 0.00 C ATOM 824 CD LYS A 59 -4.974 8.130 5.333 1.00 0.00 C ATOM 825 CE LYS A 59 -6.374 8.044 4.750 1.00 0.00 C ATOM 826 NZ LYS A 59 -6.876 9.340 4.289 1.00 0.00 N ATOM 0 H LYS A 59 -0.569 6.232 6.400 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.842 4.720 6.850 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.851 7.163 7.009 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.427 7.328 5.316 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.633 6.092 4.795 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.048 6.331 6.481 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.983 8.742 6.235 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.304 8.616 4.624 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.373 7.342 3.916 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.053 7.643 5.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -7.653 9.191 3.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -7.224 9.887 5.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.108 9.864 3.822 1.00 0.00 H new ATOM 840 N LEU A 60 -2.045 5.052 3.659 1.00 0.00 N ATOM 841 CA LEU A 60 -2.325 4.602 2.304 1.00 0.00 C ATOM 842 C LEU A 60 -2.001 3.145 2.141 1.00 0.00 C ATOM 843 O LEU A 60 -2.764 2.409 1.506 1.00 0.00 O ATOM 844 CB LEU A 60 -1.576 5.476 1.335 1.00 0.00 C ATOM 845 CG LEU A 60 -1.936 6.937 1.504 1.00 0.00 C ATOM 846 CD1 LEU A 60 -0.894 7.858 0.899 1.00 0.00 C ATOM 847 CD2 LEU A 60 -3.313 7.215 0.937 1.00 0.00 C ATOM 0 H LEU A 60 -1.273 5.715 3.727 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.390 4.696 2.094 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.504 5.346 1.482 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.798 5.162 0.315 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.955 7.147 2.573 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.196 8.895 1.045 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.067 7.688 1.384 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.803 7.653 -0.168 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.554 8.270 1.068 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.326 6.969 -0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.051 6.607 1.460 1.00 0.00 H new ATOM 859 N THR A 61 -0.879 2.721 2.752 1.00 0.00 N ATOM 860 CA THR A 61 -0.497 1.309 2.744 1.00 0.00 C ATOM 861 C THR A 61 -1.619 0.513 3.342 1.00 0.00 C ATOM 862 O THR A 61 -2.070 -0.490 2.795 1.00 0.00 O ATOM 863 CB THR A 61 0.794 1.045 3.586 1.00 0.00 C ATOM 864 OG1 THR A 61 1.907 1.799 3.073 1.00 0.00 O ATOM 865 CG2 THR A 61 1.152 -0.439 3.582 1.00 0.00 C ATOM 0 H THR A 61 -0.232 3.333 3.250 1.00 0.00 H new ATOM 0 HA THR A 61 -0.296 1.018 1.713 1.00 0.00 H new ATOM 0 HB THR A 61 0.586 1.363 4.608 1.00 0.00 H new ATOM 0 HG1 THR A 61 1.984 2.644 3.564 1.00 0.00 H new ATOM 0 HG21 THR A 61 2.053 -0.597 4.174 1.00 0.00 H new ATOM 0 HG22 THR A 61 0.330 -1.013 4.011 1.00 0.00 H new ATOM 0 HG23 THR A 61 1.328 -0.768 2.558 1.00 0.00 H new ATOM 873 N HIS A 62 -2.126 1.042 4.413 1.00 0.00 N ATOM 874 CA HIS A 62 -3.132 0.366 5.188 1.00 0.00 C ATOM 875 C HIS A 62 -4.486 0.335 4.458 1.00 0.00 C ATOM 876 O HIS A 62 -5.193 -0.670 4.520 1.00 0.00 O ATOM 877 CB HIS A 62 -3.220 1.007 6.577 1.00 0.00 C ATOM 878 CG HIS A 62 -4.223 0.430 7.545 1.00 0.00 C ATOM 879 ND1 HIS A 62 -3.894 -0.479 8.519 1.00 0.00 N ATOM 880 CD2 HIS A 62 -5.534 0.703 7.725 1.00 0.00 C ATOM 881 CE1 HIS A 62 -4.944 -0.743 9.260 1.00 0.00 C ATOM 882 NE2 HIS A 62 -5.966 -0.037 8.799 1.00 0.00 N ATOM 0 H HIS A 62 -1.857 1.955 4.778 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.846 -0.678 5.316 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.234 0.948 7.038 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.448 2.065 6.446 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -6.133 1.379 7.133 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -4.971 -1.420 10.101 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -6.913 -0.042 9.177 1.00 0.00 H new ATOM 890 N GLY A 63 -4.820 1.397 3.759 1.00 0.00 N ATOM 891 CA GLY A 63 -6.105 1.462 3.083 1.00 0.00 C ATOM 892 C GLY A 63 -6.195 0.577 1.861 1.00 0.00 C ATOM 893 O GLY A 63 -7.207 -0.085 1.673 1.00 0.00 O ATOM 0 H GLY A 63 -4.230 2.221 3.642 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.889 1.178 3.785 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.299 2.493 2.789 1.00 0.00 H new ATOM 897 N VAL A 64 -5.122 0.509 1.051 1.00 0.00 N ATOM 898 CA VAL A 64 -5.140 -0.363 -0.152 1.00 0.00 C ATOM 899 C VAL A 64 -5.218 -1.797 0.321 1.00 0.00 C ATOM 900 O VAL A 64 -6.014 -2.591 -0.170 1.00 0.00 O ATOM 901 CB VAL A 64 -3.871 -0.189 -1.058 1.00 0.00 C ATOM 902 CG1 VAL A 64 -3.883 -1.178 -2.257 1.00 0.00 C ATOM 903 CG2 VAL A 64 -3.771 1.244 -1.563 1.00 0.00 C ATOM 0 H VAL A 64 -4.255 1.027 1.195 1.00 0.00 H new ATOM 0 HA VAL A 64 -6.000 -0.083 -0.761 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.997 -0.415 -0.446 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.989 -1.028 -2.862 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.901 -2.202 -1.884 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.768 -0.999 -2.868 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.885 1.348 -2.190 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.659 1.487 -2.146 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.697 1.924 -0.715 1.00 0.00 H new ATOM 913 N MET A 65 -4.480 -2.035 1.380 1.00 0.00 N ATOM 914 CA MET A 65 -4.367 -3.333 2.017 1.00 0.00 C ATOM 915 C MET A 65 -5.718 -3.803 2.498 1.00 0.00 C ATOM 916 O MET A 65 -6.160 -4.893 2.175 1.00 0.00 O ATOM 917 CB MET A 65 -3.394 -3.231 3.182 1.00 0.00 C ATOM 918 CG MET A 65 -3.330 -4.426 4.078 1.00 0.00 C ATOM 919 SD MET A 65 -2.056 -4.221 5.315 1.00 0.00 S ATOM 920 CE MET A 65 -2.479 -5.562 6.367 1.00 0.00 C ATOM 0 H MET A 65 -3.924 -1.312 1.838 1.00 0.00 H new ATOM 0 HA MET A 65 -3.994 -4.060 1.296 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.397 -3.044 2.784 1.00 0.00 H new ATOM 0 HB3 MET A 65 -3.665 -2.363 3.783 1.00 0.00 H new ATOM 0 HG2 MET A 65 -4.295 -4.575 4.563 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.129 -5.320 3.487 1.00 0.00 H new ATOM 0 HE1 MET A 65 -2.714 -5.184 7.362 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.347 -6.083 5.962 1.00 0.00 H new ATOM 0 HE3 MET A 65 -1.639 -6.253 6.431 1.00 0.00 H new ATOM 930 N ASN A 66 -6.372 -2.956 3.231 1.00 0.00 N ATOM 931 CA ASN A 66 -7.657 -3.254 3.798 1.00 0.00 C ATOM 932 C ASN A 66 -8.729 -3.369 2.754 1.00 0.00 C ATOM 933 O ASN A 66 -9.580 -4.263 2.830 1.00 0.00 O ATOM 934 CB ASN A 66 -8.004 -2.250 4.879 1.00 0.00 C ATOM 935 CG ASN A 66 -7.489 -2.688 6.218 1.00 0.00 C ATOM 936 OD1 ASN A 66 -8.169 -3.374 6.972 1.00 0.00 O ATOM 937 ND2 ASN A 66 -6.282 -2.333 6.505 1.00 0.00 N ATOM 0 H ASN A 66 -6.026 -2.024 3.457 1.00 0.00 H new ATOM 0 HA ASN A 66 -7.597 -4.237 4.265 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.581 -1.278 4.625 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -9.086 -2.124 4.927 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -5.861 -2.624 7.387 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -5.749 -1.761 5.850 1.00 0.00 H new ATOM 944 N LYS A 67 -8.657 -2.524 1.754 1.00 0.00 N ATOM 945 CA LYS A 67 -9.625 -2.534 0.692 1.00 0.00 C ATOM 946 C LYS A 67 -9.551 -3.851 -0.075 1.00 0.00 C ATOM 947 O LYS A 67 -10.591 -4.520 -0.315 1.00 0.00 O ATOM 948 CB LYS A 67 -9.438 -1.322 -0.233 1.00 0.00 C ATOM 949 CG LYS A 67 -10.541 -1.164 -1.262 1.00 0.00 C ATOM 950 CD LYS A 67 -10.383 0.089 -2.124 1.00 0.00 C ATOM 951 CE LYS A 67 -10.409 1.369 -1.293 1.00 0.00 C ATOM 952 NZ LYS A 67 -10.442 2.577 -2.143 1.00 0.00 N ATOM 0 H LYS A 67 -7.930 -1.816 1.656 1.00 0.00 H new ATOM 0 HA LYS A 67 -10.622 -2.455 1.124 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.387 -0.418 0.374 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.482 -1.414 -0.749 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.556 -2.042 -1.908 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.503 -1.127 -0.751 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.443 0.034 -2.673 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.183 0.122 -2.864 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.282 1.360 -0.640 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.530 1.402 -0.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.459 3.425 -1.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.596 2.599 -2.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.294 2.559 -2.739 1.00 0.00 H new ATOM 966 N GLU A 68 -8.345 -4.288 -0.396 1.00 0.00 N ATOM 967 CA GLU A 68 -8.225 -5.501 -1.101 1.00 0.00 C ATOM 968 C GLU A 68 -8.494 -6.676 -0.226 1.00 0.00 C ATOM 969 O GLU A 68 -9.122 -7.595 -0.654 1.00 0.00 O ATOM 970 CB GLU A 68 -6.960 -5.603 -1.892 1.00 0.00 C ATOM 971 CG GLU A 68 -5.653 -5.481 -1.147 1.00 0.00 C ATOM 972 CD GLU A 68 -4.543 -5.503 -2.136 1.00 0.00 C ATOM 973 OE1 GLU A 68 -4.404 -4.502 -2.872 1.00 0.00 O ATOM 974 OE2 GLU A 68 -3.882 -6.549 -2.285 1.00 0.00 O ATOM 0 H GLU A 68 -7.468 -3.816 -0.175 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.010 -5.507 -1.857 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.964 -6.564 -2.407 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -6.982 -4.829 -2.660 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.630 -4.555 -0.572 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.544 -6.301 -0.437 1.00 0.00 H new ATOM 981 N LEU A 69 -8.075 -6.627 1.017 1.00 0.00 N ATOM 982 CA LEU A 69 -8.438 -7.668 1.970 1.00 0.00 C ATOM 983 C LEU A 69 -9.945 -7.820 2.110 1.00 0.00 C ATOM 984 O LEU A 69 -10.427 -8.905 2.402 1.00 0.00 O ATOM 985 CB LEU A 69 -7.780 -7.454 3.323 1.00 0.00 C ATOM 986 CG LEU A 69 -6.286 -7.739 3.374 1.00 0.00 C ATOM 987 CD1 LEU A 69 -5.723 -7.357 4.719 1.00 0.00 C ATOM 988 CD2 LEU A 69 -6.025 -9.210 3.094 1.00 0.00 C ATOM 0 H LEU A 69 -7.486 -5.886 1.397 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.055 -8.604 1.563 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.946 -6.421 3.630 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.279 -8.089 4.055 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.791 -7.141 2.609 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.654 -7.567 4.739 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.887 -6.294 4.893 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.221 -7.934 5.499 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.953 -9.403 3.133 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.531 -9.818 3.844 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.404 -9.465 2.104 1.00 0.00 H new ATOM 1000 N LYS A 70 -10.698 -6.754 1.880 1.00 0.00 N ATOM 1001 CA LYS A 70 -12.154 -6.865 1.865 1.00 0.00 C ATOM 1002 C LYS A 70 -12.590 -7.609 0.640 1.00 0.00 C ATOM 1003 O LYS A 70 -13.337 -8.573 0.707 1.00 0.00 O ATOM 1004 CB LYS A 70 -12.819 -5.511 1.789 1.00 0.00 C ATOM 1005 CG LYS A 70 -12.589 -4.623 2.942 1.00 0.00 C ATOM 1006 CD LYS A 70 -13.326 -3.323 2.733 1.00 0.00 C ATOM 1007 CE LYS A 70 -13.128 -2.385 3.893 1.00 0.00 C ATOM 1008 NZ LYS A 70 -13.873 -1.123 3.717 1.00 0.00 N ATOM 0 H LYS A 70 -10.336 -5.817 1.704 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.439 -7.375 2.785 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.471 -5.005 0.889 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -13.893 -5.659 1.676 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.931 -5.104 3.858 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.522 -4.433 3.061 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.976 -2.849 1.816 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -14.390 -3.523 2.603 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.452 -2.872 4.813 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -12.066 -2.166 4.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -13.709 -0.506 4.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -13.546 -0.645 2.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -14.889 -1.328 3.636 1.00 0.00 H new ATOM 1022 N TYR A 71 -12.107 -7.151 -0.480 1.00 0.00 N ATOM 1023 CA TYR A 71 -12.546 -7.665 -1.770 1.00 0.00 C ATOM 1024 C TYR A 71 -11.997 -9.053 -2.052 1.00 0.00 C ATOM 1025 O TYR A 71 -12.610 -9.845 -2.769 1.00 0.00 O ATOM 1026 CB TYR A 71 -12.165 -6.685 -2.890 1.00 0.00 C ATOM 1027 CG TYR A 71 -12.684 -5.261 -2.681 1.00 0.00 C ATOM 1028 CD1 TYR A 71 -13.607 -4.954 -1.671 1.00 0.00 C ATOM 1029 CD2 TYR A 71 -12.232 -4.228 -3.475 1.00 0.00 C ATOM 1030 CE1 TYR A 71 -14.046 -3.680 -1.466 1.00 0.00 C ATOM 1031 CE2 TYR A 71 -12.678 -2.941 -3.279 1.00 0.00 C ATOM 1032 CZ TYR A 71 -13.583 -2.672 -2.271 1.00 0.00 C ATOM 1033 OH TYR A 71 -14.011 -1.379 -2.056 1.00 0.00 O ATOM 0 H TYR A 71 -11.402 -6.416 -0.537 1.00 0.00 H new ATOM 0 HA TYR A 71 -13.632 -7.757 -1.736 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -11.079 -6.655 -2.977 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -12.550 -7.065 -3.836 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -13.979 -5.747 -1.040 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -11.519 -4.432 -4.260 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -14.752 -3.467 -0.677 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -12.321 -2.143 -3.912 1.00 0.00 H new ATOM 0 HH TYR A 71 -13.590 -0.782 -2.710 1.00 0.00 H new ATOM 1043 N CYS A 72 -10.874 -9.346 -1.484 1.00 0.00 N ATOM 1044 CA CYS A 72 -10.226 -10.623 -1.660 1.00 0.00 C ATOM 1045 C CYS A 72 -10.650 -11.615 -0.579 1.00 0.00 C ATOM 1046 O CYS A 72 -10.889 -12.791 -0.870 1.00 0.00 O ATOM 1047 CB CYS A 72 -8.700 -10.442 -1.687 1.00 0.00 C ATOM 1048 SG CYS A 72 -8.112 -9.430 -3.073 1.00 0.00 S ATOM 0 H CYS A 72 -10.367 -8.704 -0.875 1.00 0.00 H new ATOM 0 HA CYS A 72 -10.540 -11.039 -2.617 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -8.381 -9.983 -0.752 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -8.227 -11.423 -1.738 1.00 0.00 H new ATOM 0 HG CYS A 72 -7.328 -10.141 -3.827 1.00 0.00 H new ATOM 1054 N LYS A 73 -10.758 -11.131 0.663 1.00 0.00 N ATOM 1055 CA LYS A 73 -11.136 -11.929 1.865 1.00 0.00 C ATOM 1056 C LYS A 73 -10.058 -12.892 2.329 1.00 0.00 C ATOM 1057 O LYS A 73 -9.915 -13.150 3.529 1.00 0.00 O ATOM 1058 CB LYS A 73 -12.497 -12.628 1.747 1.00 0.00 C ATOM 1059 CG LYS A 73 -13.692 -11.681 1.742 1.00 0.00 C ATOM 1060 CD LYS A 73 -13.717 -10.771 2.982 1.00 0.00 C ATOM 1061 CE LYS A 73 -13.678 -11.551 4.295 1.00 0.00 C ATOM 1062 NZ LYS A 73 -13.748 -10.654 5.461 1.00 0.00 N ATOM 0 H LYS A 73 -10.583 -10.150 0.880 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.240 -11.177 2.647 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.511 -13.217 0.830 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.606 -13.327 2.576 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -13.662 -11.066 0.843 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -14.614 -12.262 1.701 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.866 -10.091 2.944 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -14.617 -10.157 2.957 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -14.510 -12.254 4.326 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -12.762 -12.139 4.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.719 -11.217 6.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.940 -9.999 5.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.634 -10.111 5.428 1.00 0.00 H new ATOM 1076 N ASN A 74 -9.341 -13.438 1.402 1.00 0.00 N ATOM 1077 CA ASN A 74 -8.225 -14.262 1.708 1.00 0.00 C ATOM 1078 C ASN A 74 -6.984 -13.614 1.172 1.00 0.00 C ATOM 1079 O ASN A 74 -6.897 -13.306 -0.015 1.00 0.00 O ATOM 1080 CB ASN A 74 -8.364 -15.690 1.171 1.00 0.00 C ATOM 1081 CG ASN A 74 -9.400 -16.509 1.909 1.00 0.00 C ATOM 1082 OD1 ASN A 74 -9.106 -17.097 2.947 1.00 0.00 O ATOM 1083 ND2 ASN A 74 -10.589 -16.616 1.365 1.00 0.00 N ATOM 0 H ASN A 74 -9.517 -13.322 0.404 1.00 0.00 H new ATOM 0 HA ASN A 74 -8.168 -14.356 2.792 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -8.629 -15.649 0.114 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -7.399 -16.192 1.239 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -11.300 -17.200 1.805 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -10.802 -16.115 0.503 1.00 0.00 H new ATOM 1090 N PRO A 75 -6.004 -13.378 2.034 1.00 0.00 N ATOM 1091 CA PRO A 75 -4.749 -12.718 1.666 1.00 0.00 C ATOM 1092 C PRO A 75 -3.809 -13.533 0.811 1.00 0.00 C ATOM 1093 O PRO A 75 -2.672 -13.152 0.583 1.00 0.00 O ATOM 1094 CB PRO A 75 -4.064 -12.470 2.947 1.00 0.00 C ATOM 1095 CG PRO A 75 -4.726 -13.328 3.981 1.00 0.00 C ATOM 1096 CD PRO A 75 -6.066 -13.698 3.469 1.00 0.00 C ATOM 0 HA PRO A 75 -4.996 -11.838 1.073 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.004 -12.712 2.869 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.131 -11.417 3.221 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.131 -14.220 4.175 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -4.812 -12.791 4.925 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -6.277 -14.755 3.633 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -6.853 -13.134 3.969 1.00 0.00 H new ATOM 1104 N GLU A 76 -4.292 -14.607 0.310 1.00 0.00 N ATOM 1105 CA GLU A 76 -3.568 -15.451 -0.610 1.00 0.00 C ATOM 1106 C GLU A 76 -3.565 -14.748 -1.988 1.00 0.00 C ATOM 1107 O GLU A 76 -2.965 -15.203 -2.971 1.00 0.00 O ATOM 1108 CB GLU A 76 -4.264 -16.814 -0.687 1.00 0.00 C ATOM 1109 CG GLU A 76 -3.495 -17.888 -1.429 1.00 0.00 C ATOM 1110 CD GLU A 76 -2.191 -18.229 -0.758 1.00 0.00 C ATOM 1111 OE1 GLU A 76 -2.213 -18.981 0.243 1.00 0.00 O ATOM 1112 OE2 GLU A 76 -1.130 -17.791 -1.239 1.00 0.00 O ATOM 0 H GLU A 76 -5.229 -14.948 0.525 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.541 -15.612 -0.283 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.458 -17.163 0.327 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.232 -16.683 -1.170 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.109 -18.786 -1.501 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.299 -17.553 -2.448 1.00 0.00 H new ATOM 1119 N ASP A 77 -4.241 -13.619 -2.013 1.00 0.00 N ATOM 1120 CA ASP A 77 -4.384 -12.791 -3.190 1.00 0.00 C ATOM 1121 C ASP A 77 -3.860 -11.399 -2.853 1.00 0.00 C ATOM 1122 O ASP A 77 -3.949 -10.463 -3.642 1.00 0.00 O ATOM 1123 CB ASP A 77 -5.867 -12.733 -3.577 1.00 0.00 C ATOM 1124 CG ASP A 77 -6.123 -12.178 -4.968 1.00 0.00 C ATOM 1125 OD1 ASP A 77 -5.632 -12.779 -5.948 1.00 0.00 O ATOM 1126 OD2 ASP A 77 -6.908 -11.203 -5.119 1.00 0.00 O ATOM 0 H ASP A 77 -4.718 -13.243 -1.194 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.821 -13.197 -4.030 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.287 -13.737 -3.515 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -6.398 -12.119 -2.849 1.00 0.00 H new ATOM 1131 N LEU A 78 -3.286 -11.290 -1.661 1.00 0.00 N ATOM 1132 CA LEU A 78 -2.745 -10.085 -1.157 1.00 0.00 C ATOM 1133 C LEU A 78 -1.256 -10.087 -1.440 1.00 0.00 C ATOM 1134 O LEU A 78 -0.469 -10.801 -0.790 1.00 0.00 O ATOM 1135 CB LEU A 78 -2.959 -10.045 0.328 1.00 0.00 C ATOM 1136 CG LEU A 78 -2.498 -8.813 1.015 1.00 0.00 C ATOM 1137 CD1 LEU A 78 -3.464 -7.668 0.791 1.00 0.00 C ATOM 1138 CD2 LEU A 78 -2.214 -9.060 2.477 1.00 0.00 C ATOM 0 H LEU A 78 -3.194 -12.076 -1.017 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.222 -9.222 -1.622 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.023 -10.172 0.526 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.448 -10.899 0.773 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.549 -8.516 0.569 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.100 -6.779 1.306 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.543 -7.462 -0.276 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.445 -7.938 1.182 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.879 -8.134 2.944 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.122 -9.408 2.970 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.436 -9.817 2.574 1.00 0.00 H new ATOM 1150 N GLU A 79 -0.900 -9.380 -2.425 1.00 0.00 N ATOM 1151 CA GLU A 79 0.430 -9.265 -2.880 1.00 0.00 C ATOM 1152 C GLU A 79 0.589 -7.873 -3.394 1.00 0.00 C ATOM 1153 O GLU A 79 -0.331 -7.353 -3.974 1.00 0.00 O ATOM 1154 CB GLU A 79 0.570 -10.207 -4.035 1.00 0.00 C ATOM 1155 CG GLU A 79 1.883 -10.184 -4.727 1.00 0.00 C ATOM 1156 CD GLU A 79 3.005 -10.722 -3.888 1.00 0.00 C ATOM 1157 OE1 GLU A 79 3.455 -10.026 -2.954 1.00 0.00 O ATOM 1158 OE2 GLU A 79 3.468 -11.839 -4.153 1.00 0.00 O ATOM 0 H GLU A 79 -1.561 -8.830 -2.974 1.00 0.00 H new ATOM 0 HA GLU A 79 1.160 -9.483 -2.100 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.385 -11.220 -3.678 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.208 -9.979 -4.763 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.813 -10.768 -5.645 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.115 -9.159 -5.018 1.00 0.00 H new ATOM 1165 N CYS A 80 1.747 -7.291 -3.239 1.00 0.00 N ATOM 1166 CA CYS A 80 1.994 -5.980 -3.796 1.00 0.00 C ATOM 1167 C CYS A 80 2.395 -6.194 -5.222 1.00 0.00 C ATOM 1168 O CYS A 80 3.564 -6.117 -5.598 1.00 0.00 O ATOM 1169 CB CYS A 80 3.054 -5.161 -2.999 1.00 0.00 C ATOM 1170 SG CYS A 80 3.502 -3.558 -3.721 1.00 0.00 S ATOM 0 H CYS A 80 2.534 -7.698 -2.734 1.00 0.00 H new ATOM 0 HA CYS A 80 1.092 -5.371 -3.731 1.00 0.00 H new ATOM 0 HB2 CYS A 80 2.676 -4.993 -1.991 1.00 0.00 H new ATOM 0 HB3 CYS A 80 3.958 -5.763 -2.904 1.00 0.00 H new ATOM 0 HG CYS A 80 3.800 -3.716 -4.976 1.00 0.00 H new ATOM 1176 N ASN A 81 1.430 -6.577 -6.000 1.00 0.00 N ATOM 1177 CA ASN A 81 1.689 -6.932 -7.354 1.00 0.00 C ATOM 1178 C ASN A 81 1.389 -5.747 -8.215 1.00 0.00 C ATOM 1179 O ASN A 81 1.037 -4.708 -7.724 1.00 0.00 O ATOM 1180 CB ASN A 81 0.860 -8.122 -7.816 1.00 0.00 C ATOM 1181 CG ASN A 81 -0.625 -7.764 -7.913 1.00 0.00 C ATOM 1182 OD1 ASN A 81 -1.051 -7.216 -8.830 1.00 0.00 O ATOM 1183 ND2 ASN A 81 -1.365 -8.060 -6.981 1.00 0.00 N ATOM 0 H ASN A 81 0.453 -6.651 -5.716 1.00 0.00 H new ATOM 0 HA ASN A 81 2.736 -7.226 -7.435 1.00 0.00 H new ATOM 0 HB2 ASN A 81 1.218 -8.462 -8.788 1.00 0.00 H new ATOM 0 HB3 ASN A 81 0.991 -8.951 -7.120 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.356 -7.820 -7.020 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -0.990 -8.546 -6.166 1.00 0.00 H new ATOM 1190 N GLU A 82 1.454 -5.964 -9.478 1.00 0.00 N ATOM 1191 CA GLU A 82 1.222 -4.994 -10.519 1.00 0.00 C ATOM 1192 C GLU A 82 -0.154 -4.324 -10.404 1.00 0.00 C ATOM 1193 O GLU A 82 -0.261 -3.111 -10.413 1.00 0.00 O ATOM 1194 CB GLU A 82 1.300 -5.758 -11.774 1.00 0.00 C ATOM 1195 CG GLU A 82 2.668 -6.363 -12.001 1.00 0.00 C ATOM 1196 CD GLU A 82 3.751 -5.322 -12.130 1.00 0.00 C ATOM 1197 OE1 GLU A 82 3.857 -4.702 -13.200 1.00 0.00 O ATOM 1198 OE2 GLU A 82 4.511 -5.100 -11.160 1.00 0.00 O ATOM 0 H GLU A 82 1.686 -6.884 -9.852 1.00 0.00 H new ATOM 0 HA GLU A 82 1.952 -4.186 -10.459 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.553 -6.552 -11.759 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.053 -5.103 -12.610 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.908 -7.030 -11.173 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.646 -6.972 -12.905 1.00 0.00 H new ATOM 1205 N ASN A 83 -1.168 -5.153 -10.309 1.00 0.00 N ATOM 1206 CA ASN A 83 -2.558 -4.767 -10.088 1.00 0.00 C ATOM 1207 C ASN A 83 -2.633 -3.924 -8.873 1.00 0.00 C ATOM 1208 O ASN A 83 -3.173 -2.812 -8.908 1.00 0.00 O ATOM 1209 CB ASN A 83 -3.434 -6.020 -9.849 1.00 0.00 C ATOM 1210 CG ASN A 83 -3.654 -6.830 -11.106 1.00 0.00 C ATOM 1211 OD1 ASN A 83 -2.847 -7.690 -11.466 1.00 0.00 O ATOM 1212 ND2 ASN A 83 -4.736 -6.571 -11.783 1.00 0.00 N ATOM 0 H ASN A 83 -1.049 -6.163 -10.386 1.00 0.00 H new ATOM 0 HA ASN A 83 -2.916 -4.229 -10.966 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -2.962 -6.649 -9.095 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -4.399 -5.712 -9.448 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -4.937 -7.086 -12.640 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.382 -5.853 -11.456 1.00 0.00 H new ATOM 1219 N VAL A 84 -2.052 -4.427 -7.786 1.00 0.00 N ATOM 1220 CA VAL A 84 -2.076 -3.684 -6.541 1.00 0.00 C ATOM 1221 C VAL A 84 -1.352 -2.349 -6.676 1.00 0.00 C ATOM 1222 O VAL A 84 -1.876 -1.312 -6.250 1.00 0.00 O ATOM 1223 CB VAL A 84 -1.544 -4.508 -5.377 1.00 0.00 C ATOM 1224 CG1 VAL A 84 -1.439 -3.692 -4.118 1.00 0.00 C ATOM 1225 CG2 VAL A 84 -2.453 -5.655 -5.136 1.00 0.00 C ATOM 0 H VAL A 84 -1.571 -5.325 -7.746 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.119 -3.463 -6.315 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.545 -4.856 -5.640 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.056 -4.316 -3.311 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.761 -2.855 -4.283 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.424 -3.313 -3.847 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.077 -6.249 -4.303 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.450 -5.285 -4.897 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.501 -6.275 -6.031 1.00 0.00 H new ATOM 1235 N LYS A 85 -0.188 -2.375 -7.316 1.00 0.00 N ATOM 1236 CA LYS A 85 0.582 -1.161 -7.571 1.00 0.00 C ATOM 1237 C LYS A 85 -0.252 -0.177 -8.330 1.00 0.00 C ATOM 1238 O LYS A 85 -0.387 0.955 -7.910 1.00 0.00 O ATOM 1239 CB LYS A 85 1.838 -1.466 -8.364 1.00 0.00 C ATOM 1240 CG LYS A 85 2.808 -2.328 -7.631 1.00 0.00 C ATOM 1241 CD LYS A 85 3.906 -2.802 -8.536 1.00 0.00 C ATOM 1242 CE LYS A 85 4.627 -3.927 -7.875 1.00 0.00 C ATOM 1243 NZ LYS A 85 5.596 -4.578 -8.771 1.00 0.00 N ATOM 0 H LYS A 85 0.246 -3.228 -7.670 1.00 0.00 H new ATOM 0 HA LYS A 85 0.870 -0.739 -6.608 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.559 -1.957 -9.296 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.326 -0.529 -8.631 1.00 0.00 H new ATOM 0 HG2 LYS A 85 3.236 -1.771 -6.797 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.287 -3.186 -7.207 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.493 -3.128 -9.490 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.596 -1.986 -8.750 1.00 0.00 H new ATOM 0 HE2 LYS A 85 5.147 -3.553 -6.993 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.903 -4.665 -7.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 5.754 -5.558 -8.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.224 -4.579 -9.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.496 -4.058 -8.746 1.00 0.00 H new ATOM 1257 N HIS A 86 -0.881 -0.663 -9.394 1.00 0.00 N ATOM 1258 CA HIS A 86 -1.721 0.153 -10.270 1.00 0.00 C ATOM 1259 C HIS A 86 -2.782 0.864 -9.443 1.00 0.00 C ATOM 1260 O HIS A 86 -2.918 2.100 -9.484 1.00 0.00 O ATOM 1261 CB HIS A 86 -2.386 -0.704 -11.378 1.00 0.00 C ATOM 1262 CG HIS A 86 -3.266 0.085 -12.327 1.00 0.00 C ATOM 1263 ND1 HIS A 86 -2.797 0.670 -13.478 1.00 0.00 N ATOM 1264 CD2 HIS A 86 -4.592 0.386 -12.274 1.00 0.00 C ATOM 1265 CE1 HIS A 86 -3.772 1.299 -14.094 1.00 0.00 C ATOM 1266 NE2 HIS A 86 -4.881 1.146 -13.387 1.00 0.00 N ATOM 0 H HIS A 86 -0.823 -1.641 -9.677 1.00 0.00 H new ATOM 0 HA HIS A 86 -1.088 0.892 -10.761 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -1.606 -1.203 -11.953 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -2.985 -1.484 -10.908 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -5.288 0.086 -11.504 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -3.684 1.848 -15.020 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -5.796 1.527 -13.626 1.00 0.00 H new ATOM 1274 N LYS A 87 -3.473 0.073 -8.644 1.00 0.00 N ATOM 1275 CA LYS A 87 -4.547 0.553 -7.776 1.00 0.00 C ATOM 1276 C LYS A 87 -4.024 1.600 -6.847 1.00 0.00 C ATOM 1277 O LYS A 87 -4.641 2.631 -6.658 1.00 0.00 O ATOM 1278 CB LYS A 87 -5.141 -0.564 -6.958 1.00 0.00 C ATOM 1279 CG LYS A 87 -6.030 -1.522 -7.704 1.00 0.00 C ATOM 1280 CD LYS A 87 -5.892 -2.914 -7.129 1.00 0.00 C ATOM 1281 CE LYS A 87 -6.088 -2.968 -5.605 1.00 0.00 C ATOM 1282 NZ LYS A 87 -5.824 -4.319 -5.060 1.00 0.00 N ATOM 0 H LYS A 87 -3.308 -0.931 -8.574 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.324 0.968 -8.418 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -4.327 -1.131 -6.506 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.715 -0.125 -6.142 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.067 -1.194 -7.638 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -5.764 -1.529 -8.761 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -6.621 -3.570 -7.605 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -4.904 -3.304 -7.375 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -5.423 -2.248 -5.128 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -7.108 -2.671 -5.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.241 -4.240 -4.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.726 -4.780 -4.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.320 -4.887 -5.770 1.00 0.00 H new ATOM 1296 N THR A 88 -2.867 1.363 -6.373 1.00 0.00 N ATOM 1297 CA THR A 88 -2.291 2.120 -5.374 1.00 0.00 C ATOM 1298 C THR A 88 -1.864 3.451 -5.864 1.00 0.00 C ATOM 1299 O THR A 88 -2.383 4.436 -5.418 1.00 0.00 O ATOM 1300 CB THR A 88 -1.136 1.366 -4.798 1.00 0.00 C ATOM 1301 OG1 THR A 88 -1.631 0.253 -4.057 1.00 0.00 O ATOM 1302 CG2 THR A 88 -0.269 2.254 -3.968 1.00 0.00 C ATOM 0 H THR A 88 -2.278 0.595 -6.696 1.00 0.00 H new ATOM 0 HA THR A 88 -3.036 2.299 -4.599 1.00 0.00 H new ATOM 0 HB THR A 88 -0.505 0.993 -5.605 1.00 0.00 H new ATOM 0 HG1 THR A 88 -1.719 -0.522 -4.650 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.562 1.676 -3.563 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.119 3.064 -4.586 1.00 0.00 H new ATOM 0 HG23 THR A 88 -0.854 2.671 -3.148 1.00 0.00 H new ATOM 1310 N LYS A 89 -0.979 3.482 -6.819 1.00 0.00 N ATOM 1311 CA LYS A 89 -0.477 4.734 -7.293 1.00 0.00 C ATOM 1312 C LYS A 89 -1.582 5.605 -7.904 1.00 0.00 C ATOM 1313 O LYS A 89 -1.578 6.832 -7.739 1.00 0.00 O ATOM 1314 CB LYS A 89 0.763 4.555 -8.196 1.00 0.00 C ATOM 1315 CG LYS A 89 0.683 3.384 -9.138 1.00 0.00 C ATOM 1316 CD LYS A 89 -0.334 3.537 -10.203 1.00 0.00 C ATOM 1317 CE LYS A 89 0.210 4.173 -11.492 1.00 0.00 C ATOM 1318 NZ LYS A 89 0.424 5.634 -11.400 1.00 0.00 N ATOM 0 H LYS A 89 -0.594 2.658 -7.281 1.00 0.00 H new ATOM 0 HA LYS A 89 -0.121 5.296 -6.429 1.00 0.00 H new ATOM 0 HB2 LYS A 89 0.907 5.465 -8.778 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.643 4.438 -7.564 1.00 0.00 H new ATOM 0 HG2 LYS A 89 1.659 3.235 -9.600 1.00 0.00 H new ATOM 0 HG3 LYS A 89 0.461 2.484 -8.565 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.750 2.557 -10.439 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -1.154 4.148 -9.825 1.00 0.00 H new ATOM 0 HE2 LYS A 89 1.154 3.694 -11.751 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -0.485 3.969 -12.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 0.726 6.000 -12.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.463 6.098 -11.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 1.160 5.833 -10.692 1.00 0.00 H new ATOM 1332 N GLU A 90 -2.553 4.965 -8.559 1.00 0.00 N ATOM 1333 CA GLU A 90 -3.688 5.706 -9.107 1.00 0.00 C ATOM 1334 C GLU A 90 -4.604 6.219 -7.997 1.00 0.00 C ATOM 1335 O GLU A 90 -5.140 7.359 -8.074 1.00 0.00 O ATOM 1336 CB GLU A 90 -4.454 4.883 -10.122 1.00 0.00 C ATOM 1337 CG GLU A 90 -3.649 4.588 -11.380 1.00 0.00 C ATOM 1338 CD GLU A 90 -3.182 5.850 -12.082 1.00 0.00 C ATOM 1339 OE1 GLU A 90 -2.117 6.405 -11.713 1.00 0.00 O ATOM 1340 OE2 GLU A 90 -3.865 6.301 -13.019 1.00 0.00 O ATOM 0 H GLU A 90 -2.577 3.958 -8.720 1.00 0.00 H new ATOM 0 HA GLU A 90 -3.288 6.574 -9.631 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.758 3.942 -9.663 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -5.366 5.413 -10.397 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -2.783 3.980 -11.119 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -4.257 3.998 -12.066 1.00 0.00 H new ATOM 1347 N TYR A 91 -4.712 5.438 -6.929 1.00 0.00 N ATOM 1348 CA TYR A 91 -5.507 5.834 -5.786 1.00 0.00 C ATOM 1349 C TYR A 91 -4.824 6.989 -5.118 1.00 0.00 C ATOM 1350 O TYR A 91 -5.446 7.982 -4.841 1.00 0.00 O ATOM 1351 CB TYR A 91 -5.686 4.669 -4.793 1.00 0.00 C ATOM 1352 CG TYR A 91 -6.009 5.078 -3.375 1.00 0.00 C ATOM 1353 CD1 TYR A 91 -7.188 5.734 -3.053 1.00 0.00 C ATOM 1354 CD2 TYR A 91 -5.116 4.794 -2.356 1.00 0.00 C ATOM 1355 CE1 TYR A 91 -7.463 6.094 -1.753 1.00 0.00 C ATOM 1356 CE2 TYR A 91 -5.378 5.148 -1.065 1.00 0.00 C ATOM 1357 CZ TYR A 91 -6.553 5.801 -0.762 1.00 0.00 C ATOM 1358 OH TYR A 91 -6.823 6.151 0.545 1.00 0.00 O ATOM 0 H TYR A 91 -4.258 4.529 -6.836 1.00 0.00 H new ATOM 0 HA TYR A 91 -6.502 6.124 -6.122 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -6.483 4.021 -5.158 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.771 4.076 -4.784 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -7.899 5.965 -3.832 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -4.194 4.282 -2.588 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -8.385 6.602 -1.512 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -4.668 4.918 -0.284 1.00 0.00 H new ATOM 0 HH TYR A 91 -6.079 5.872 1.119 1.00 0.00 H new ATOM 1368 N ILE A 92 -3.529 6.830 -4.890 1.00 0.00 N ATOM 1369 CA ILE A 92 -2.675 7.856 -4.296 1.00 0.00 C ATOM 1370 C ILE A 92 -2.831 9.169 -4.991 1.00 0.00 C ATOM 1371 O ILE A 92 -3.173 10.149 -4.343 1.00 0.00 O ATOM 1372 CB ILE A 92 -1.188 7.452 -4.358 1.00 0.00 C ATOM 1373 CG1 ILE A 92 -0.921 6.196 -3.528 1.00 0.00 C ATOM 1374 CG2 ILE A 92 -0.282 8.619 -3.935 1.00 0.00 C ATOM 1375 CD1 ILE A 92 -0.671 6.431 -2.102 1.00 0.00 C ATOM 0 H ILE A 92 -3.030 5.970 -5.116 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.989 7.953 -3.257 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.947 7.211 -5.393 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.776 5.527 -3.625 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.061 5.677 -3.951 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.761 8.307 -3.988 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.442 9.465 -4.604 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.521 8.914 -2.913 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.493 5.479 -1.602 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.204 7.071 -1.987 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -1.538 6.919 -1.656 1.00 0.00 H new ATOM 1387 N LYS A 93 -2.588 9.202 -6.288 1.00 0.00 N ATOM 1388 CA LYS A 93 -2.683 10.445 -6.984 1.00 0.00 C ATOM 1389 C LYS A 93 -4.068 11.029 -6.841 1.00 0.00 C ATOM 1390 O LYS A 93 -4.207 12.161 -6.379 1.00 0.00 O ATOM 1391 CB LYS A 93 -2.132 10.388 -8.453 1.00 0.00 C ATOM 1392 CG LYS A 93 -2.798 9.412 -9.438 1.00 0.00 C ATOM 1393 CD LYS A 93 -4.110 9.933 -10.028 1.00 0.00 C ATOM 1394 CE LYS A 93 -3.912 11.179 -10.900 1.00 0.00 C ATOM 1395 NZ LYS A 93 -3.074 10.913 -12.092 1.00 0.00 N ATOM 0 H LYS A 93 -2.330 8.397 -6.859 1.00 0.00 H new ATOM 0 HA LYS A 93 -2.005 11.151 -6.504 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -2.205 11.390 -8.876 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.072 10.139 -8.402 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.103 9.200 -10.251 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -2.989 8.468 -8.927 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -4.573 9.147 -10.624 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -4.801 10.167 -9.218 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.885 11.552 -11.220 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -3.450 11.966 -10.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -3.096 11.739 -12.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -2.094 10.731 -11.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.442 10.082 -12.597 1.00 0.00 H new ATOM 1409 N LYS A 94 -5.088 10.200 -7.016 1.00 0.00 N ATOM 1410 CA LYS A 94 -6.444 10.700 -6.974 1.00 0.00 C ATOM 1411 C LYS A 94 -6.776 11.202 -5.571 1.00 0.00 C ATOM 1412 O LYS A 94 -7.531 12.162 -5.395 1.00 0.00 O ATOM 1413 CB LYS A 94 -7.436 9.636 -7.452 1.00 0.00 C ATOM 1414 CG LYS A 94 -8.895 10.076 -7.456 1.00 0.00 C ATOM 1415 CD LYS A 94 -9.814 9.021 -8.059 1.00 0.00 C ATOM 1416 CE LYS A 94 -9.771 7.699 -7.304 1.00 0.00 C ATOM 1417 NZ LYS A 94 -10.698 6.710 -7.891 1.00 0.00 N ATOM 0 H LYS A 94 -5.000 9.198 -7.185 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.530 11.544 -7.659 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.161 9.331 -8.462 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.338 8.757 -6.815 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -9.211 10.289 -6.435 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.991 11.004 -8.020 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -10.837 9.398 -8.065 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -9.531 8.850 -9.098 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -8.756 7.302 -7.320 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -10.031 7.867 -6.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -10.644 5.821 -7.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -11.669 7.079 -7.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -10.434 6.532 -8.881 1.00 0.00 H new ATOM 1431 N TYR A 95 -6.189 10.563 -4.591 1.00 0.00 N ATOM 1432 CA TYR A 95 -6.342 10.952 -3.246 1.00 0.00 C ATOM 1433 C TYR A 95 -5.696 12.303 -2.981 1.00 0.00 C ATOM 1434 O TYR A 95 -6.328 13.195 -2.459 1.00 0.00 O ATOM 1435 CB TYR A 95 -5.734 9.885 -2.397 1.00 0.00 C ATOM 1436 CG TYR A 95 -5.588 10.251 -0.963 1.00 0.00 C ATOM 1437 CD1 TYR A 95 -6.688 10.291 -0.114 1.00 0.00 C ATOM 1438 CD2 TYR A 95 -4.351 10.568 -0.449 1.00 0.00 C ATOM 1439 CE1 TYR A 95 -6.538 10.627 1.200 1.00 0.00 C ATOM 1440 CE2 TYR A 95 -4.208 10.881 0.859 1.00 0.00 C ATOM 1441 CZ TYR A 95 -5.300 10.908 1.682 1.00 0.00 C ATOM 1442 OH TYR A 95 -5.144 11.160 3.014 1.00 0.00 O ATOM 0 H TYR A 95 -5.588 9.750 -4.725 1.00 0.00 H new ATOM 0 HA TYR A 95 -7.399 11.067 -3.008 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -6.347 8.986 -2.470 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -4.752 9.634 -2.797 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -7.669 10.054 -0.498 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -3.486 10.567 -1.096 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.398 10.669 1.852 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.229 11.110 1.254 1.00 0.00 H new ATOM 0 HH TYR A 95 -5.893 11.705 3.334 1.00 0.00 H new ATOM 1452 N MET A 96 -4.450 12.454 -3.372 1.00 0.00 N ATOM 1453 CA MET A 96 -3.712 13.668 -3.124 1.00 0.00 C ATOM 1454 C MET A 96 -4.371 14.856 -3.810 1.00 0.00 C ATOM 1455 O MET A 96 -4.225 16.004 -3.368 1.00 0.00 O ATOM 1456 CB MET A 96 -2.287 13.535 -3.563 1.00 0.00 C ATOM 1457 CG MET A 96 -1.554 12.326 -3.008 1.00 0.00 C ATOM 1458 SD MET A 96 -1.479 12.321 -1.233 1.00 0.00 S ATOM 1459 CE MET A 96 -0.614 13.844 -0.975 1.00 0.00 C ATOM 0 H MET A 96 -3.922 11.738 -3.870 1.00 0.00 H new ATOM 0 HA MET A 96 -3.720 13.844 -2.048 1.00 0.00 H new ATOM 0 HB2 MET A 96 -2.261 13.489 -4.652 1.00 0.00 H new ATOM 0 HB3 MET A 96 -1.747 14.435 -3.269 1.00 0.00 H new ATOM 0 HG2 MET A 96 -2.051 11.418 -3.349 1.00 0.00 H new ATOM 0 HG3 MET A 96 -0.541 12.305 -3.410 1.00 0.00 H new ATOM 0 HE1 MET A 96 -0.152 13.837 0.012 1.00 0.00 H new ATOM 0 HE2 MET A 96 0.158 13.957 -1.736 1.00 0.00 H new ATOM 0 HE3 MET A 96 -1.315 14.676 -1.042 1.00 0.00 H new ATOM 1469 N GLN A 97 -5.139 14.570 -4.859 1.00 0.00 N ATOM 1470 CA GLN A 97 -5.836 15.614 -5.588 1.00 0.00 C ATOM 1471 C GLN A 97 -6.879 16.307 -4.717 1.00 0.00 C ATOM 1472 O GLN A 97 -7.287 17.431 -5.009 1.00 0.00 O ATOM 1473 CB GLN A 97 -6.500 15.100 -6.862 1.00 0.00 C ATOM 1474 CG GLN A 97 -5.603 14.306 -7.795 1.00 0.00 C ATOM 1475 CD GLN A 97 -4.235 14.910 -7.997 1.00 0.00 C ATOM 1476 OE1 GLN A 97 -4.025 15.739 -8.873 1.00 0.00 O ATOM 1477 NE2 GLN A 97 -3.288 14.444 -7.214 1.00 0.00 N ATOM 0 H GLN A 97 -5.291 13.627 -5.218 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.070 16.335 -5.874 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -7.347 14.474 -6.582 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.901 15.952 -7.411 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -5.488 13.297 -7.399 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -6.095 14.215 -8.764 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -3.512 13.753 -6.498 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -2.329 14.773 -7.323 1.00 0.00 H new ATOM 1486 N LYS A 98 -7.304 15.648 -3.646 1.00 0.00 N ATOM 1487 CA LYS A 98 -8.319 16.222 -2.786 1.00 0.00 C ATOM 1488 C LYS A 98 -7.723 17.268 -1.834 1.00 0.00 C ATOM 1489 O LYS A 98 -8.433 18.145 -1.325 1.00 0.00 O ATOM 1490 CB LYS A 98 -9.089 15.143 -1.980 1.00 0.00 C ATOM 1491 CG LYS A 98 -8.321 14.515 -0.800 1.00 0.00 C ATOM 1492 CD LYS A 98 -9.237 14.275 0.392 1.00 0.00 C ATOM 1493 CE LYS A 98 -9.795 15.587 0.944 1.00 0.00 C ATOM 1494 NZ LYS A 98 -10.894 15.376 1.906 1.00 0.00 N ATOM 0 H LYS A 98 -6.965 14.730 -3.359 1.00 0.00 H new ATOM 0 HA LYS A 98 -9.033 16.716 -3.444 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -10.007 15.589 -1.596 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -9.383 14.346 -2.663 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -7.875 13.571 -1.115 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.502 15.172 -0.506 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.060 13.625 0.095 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.687 13.754 1.176 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.993 16.143 1.430 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -10.153 16.201 0.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -11.236 16.296 2.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -11.673 14.870 1.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -10.549 14.813 2.709 1.00 0.00 H new ATOM 1508 N PHE A 99 -6.420 17.177 -1.592 1.00 0.00 N ATOM 1509 CA PHE A 99 -5.760 18.112 -0.695 1.00 0.00 C ATOM 1510 C PHE A 99 -5.564 19.446 -1.372 1.00 0.00 C ATOM 1511 O PHE A 99 -5.642 20.502 -0.739 1.00 0.00 O ATOM 1512 CB PHE A 99 -4.420 17.579 -0.188 1.00 0.00 C ATOM 1513 CG PHE A 99 -4.519 16.392 0.721 1.00 0.00 C ATOM 1514 CD1 PHE A 99 -5.231 16.479 1.901 1.00 0.00 C ATOM 1515 CD2 PHE A 99 -3.865 15.205 0.423 1.00 0.00 C ATOM 1516 CE1 PHE A 99 -5.307 15.413 2.758 1.00 0.00 C ATOM 1517 CE2 PHE A 99 -3.938 14.130 1.291 1.00 0.00 C ATOM 1518 CZ PHE A 99 -4.669 14.248 2.455 1.00 0.00 C ATOM 0 H PHE A 99 -5.807 16.472 -2.001 1.00 0.00 H new ATOM 0 HA PHE A 99 -6.411 18.239 0.170 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.803 17.311 -1.046 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -3.902 18.380 0.339 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -5.735 17.401 2.152 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -3.296 15.120 -0.491 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.873 15.496 3.674 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -3.427 13.207 1.059 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.736 13.409 3.132 1.00 0.00 H new ATOM 1528 N GLY A 100 -5.321 19.398 -2.650 1.00 0.00 N ATOM 1529 CA GLY A 100 -5.138 20.582 -3.401 1.00 0.00 C ATOM 1530 C GLY A 100 -3.696 20.838 -3.607 1.00 0.00 C ATOM 1531 O GLY A 100 -3.000 20.015 -4.151 1.00 0.00 O ATOM 0 H GLY A 100 -5.246 18.535 -3.189 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -5.640 20.492 -4.364 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.594 21.425 -2.882 1.00 0.00 H new ATOM 1535 N ALA A 101 -3.241 21.927 -3.119 1.00 0.00 N ATOM 1536 CA ALA A 101 -1.875 22.323 -3.273 1.00 0.00 C ATOM 1537 C ALA A 101 -0.976 21.654 -2.247 1.00 0.00 C ATOM 1538 O ALA A 101 0.115 21.175 -2.577 1.00 0.00 O ATOM 1539 CB ALA A 101 -1.764 23.825 -3.172 1.00 0.00 C ATOM 0 H ALA A 101 -3.809 22.589 -2.589 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.539 22.001 -4.259 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -0.722 24.122 -3.290 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.364 24.288 -3.956 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -2.126 24.152 -2.197 1.00 0.00 H new ATOM 1545 N VAL A 102 -1.420 21.592 -1.018 1.00 0.00 N ATOM 1546 CA VAL A 102 -0.581 21.058 0.044 1.00 0.00 C ATOM 1547 C VAL A 102 -1.334 19.943 0.727 1.00 0.00 C ATOM 1548 O VAL A 102 -2.568 19.915 0.717 1.00 0.00 O ATOM 1549 CB VAL A 102 -0.209 22.129 1.102 1.00 0.00 C ATOM 1550 CG1 VAL A 102 1.016 21.751 1.893 1.00 0.00 C ATOM 1551 CG2 VAL A 102 -0.079 23.509 0.512 1.00 0.00 C ATOM 0 H VAL A 102 -2.346 21.899 -0.722 1.00 0.00 H new ATOM 0 HA VAL A 102 0.347 20.704 -0.406 1.00 0.00 H new ATOM 0 HB VAL A 102 -1.047 22.161 1.799 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.235 22.533 2.620 1.00 0.00 H new ATOM 0 HG12 VAL A 102 0.837 20.811 2.414 1.00 0.00 H new ATOM 0 HG13 VAL A 102 1.864 21.636 1.218 1.00 0.00 H new ATOM 0 HG21 VAL A 102 0.182 24.218 1.298 1.00 0.00 H new ATOM 0 HG22 VAL A 102 0.701 23.507 -0.249 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -1.026 23.802 0.060 1.00 0.00 H new ATOM 1561 N TYR A 103 -0.599 19.053 1.311 1.00 0.00 N ATOM 1562 CA TYR A 103 -1.128 17.938 2.011 1.00 0.00 C ATOM 1563 C TYR A 103 -1.575 18.391 3.375 1.00 0.00 C ATOM 1564 O TYR A 103 -0.772 18.624 4.281 1.00 0.00 O ATOM 1565 CB TYR A 103 -0.104 16.775 2.065 1.00 0.00 C ATOM 1566 CG TYR A 103 -0.415 15.652 3.051 1.00 0.00 C ATOM 1567 CD1 TYR A 103 -1.699 15.290 3.343 1.00 0.00 C ATOM 1568 CD2 TYR A 103 0.596 14.990 3.708 1.00 0.00 C ATOM 1569 CE1 TYR A 103 -1.980 14.311 4.254 1.00 0.00 C ATOM 1570 CE2 TYR A 103 0.324 14.007 4.636 1.00 0.00 C ATOM 1571 CZ TYR A 103 -0.973 13.678 4.905 1.00 0.00 C ATOM 1572 OH TYR A 103 -1.271 12.716 5.854 1.00 0.00 O ATOM 0 H TYR A 103 0.420 19.088 1.311 1.00 0.00 H new ATOM 0 HA TYR A 103 -1.995 17.541 1.484 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -0.022 16.343 1.068 1.00 0.00 H new ATOM 0 HB3 TYR A 103 0.873 17.189 2.314 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -2.514 15.791 2.841 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.623 15.245 3.493 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -3.006 14.041 4.456 1.00 0.00 H new ATOM 0 HE2 TYR A 103 1.131 13.502 5.146 1.00 0.00 H new ATOM 0 HH TYR A 103 -0.439 12.357 6.228 1.00 0.00 H new ATOM 1582 N LYS A 104 -2.837 18.593 3.475 1.00 0.00 N ATOM 1583 CA LYS A 104 -3.461 18.951 4.701 1.00 0.00 C ATOM 1584 C LYS A 104 -4.350 17.800 5.161 1.00 0.00 C ATOM 1585 O LYS A 104 -5.502 17.733 4.776 1.00 0.00 O ATOM 1586 CB LYS A 104 -4.298 20.214 4.497 1.00 0.00 C ATOM 1587 CG LYS A 104 -3.489 21.434 4.070 1.00 0.00 C ATOM 1588 CD LYS A 104 -4.374 22.634 3.750 1.00 0.00 C ATOM 1589 CE LYS A 104 -5.268 22.374 2.539 1.00 0.00 C ATOM 1590 NZ LYS A 104 -6.018 23.585 2.132 1.00 0.00 N ATOM 0 H LYS A 104 -3.483 18.513 2.690 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.705 19.148 5.461 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -5.060 20.014 3.743 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -4.821 20.445 5.425 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.792 21.701 4.865 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.892 21.182 3.194 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -4.994 22.869 4.615 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -3.749 23.506 3.559 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -4.657 22.029 1.705 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -5.971 21.574 2.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -6.612 23.365 1.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -6.621 23.901 2.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -5.348 24.341 1.884 1.00 0.00 H new ATOM 1604 N PRO A 105 -3.820 16.850 5.969 1.00 0.00 N ATOM 1605 CA PRO A 105 -4.599 15.680 6.448 1.00 0.00 C ATOM 1606 C PRO A 105 -5.740 16.125 7.352 1.00 0.00 C ATOM 1607 O PRO A 105 -6.719 15.423 7.565 1.00 0.00 O ATOM 1608 CB PRO A 105 -3.588 14.864 7.244 1.00 0.00 C ATOM 1609 CG PRO A 105 -2.492 15.804 7.561 1.00 0.00 C ATOM 1610 CD PRO A 105 -2.443 16.826 6.472 1.00 0.00 C ATOM 0 HA PRO A 105 -5.051 15.119 5.630 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -4.036 14.461 8.152 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -3.224 14.016 6.665 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -2.664 16.281 8.526 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -1.542 15.274 7.632 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -2.136 17.801 6.849 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -1.735 16.548 5.692 1.00 0.00 H new