USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=30 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 83 ASN : amide:sc= 0.764 K(o=2,f=-8.2!) USER MOD Set 1.2: A 87 LYS NZ :NH3+ 154:sc= 1.24 (180deg=0) USER MOD Set 2.1: A 27 SER OG : rot -31:sc= 1.27 USER MOD Set 2.2: A 61 THR OG1 : rot 69:sc= 1.37 USER MOD Set 3.1: A 59 LYS NZ :NH3+ 172:sc= 1.17 (180deg=-0.231) USER MOD Set 3.2: A 95 TYR OH : rot -43:sc= -0.0473 USER MOD Set 4.1: A 48 THR OG1 : rot 180:sc= -0.0607 USER MOD Set 4.2: A 49 THR OG1 : rot 108:sc= 0.49 USER MOD Set 5.1: A 26 MET CE :methyl -121:sc= -2.42 (180deg=-2.67!) USER MOD Set 5.2: A 80 CYS SG : rot -50:sc= -0.493 USER MOD Set 5.3: A 88 THR OG1 : rot 81:sc= -1.25 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 160:sc= 0.0651 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 172:sc=-0.000459 (180deg=-0.0766) USER MOD Single : A 28 GLN : amide:sc= -0.412 X(o=-0.41,f=-0.18) USER MOD Single : A 32 GLN :FLIP amide:sc= -0.0764 F(o=-0.82,f=-0.076) USER MOD Single : A 33 CYS SG : rot 70:sc= 1.15 USER MOD Single : A 35 ASN :FLIP amide:sc= -0.195 F(o=-1.5!,f=-0.2) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.01 USER MOD Single : A 39 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0331) USER MOD Single : A 42 CYS SG : rot -92:sc= -3.8! USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.0497 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= -0.0464 X(o=-0.046,f=0.00097) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=-0.0059) USER MOD Single : A 65 MET CE :methyl 179:sc= 0 (180deg=-0.00197) USER MOD Single : A 66 ASN : amide:sc= 0.584 K(o=0.58,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0693) USER MOD Single : A 70 LYS NZ :NH3+ -178:sc= 0.475 (180deg=0.472) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 CYS SG : rot 180:sc= -0.491 USER MOD Single : A 73 LYS NZ :NH3+ 170:sc= 1.3 (180deg=1.11) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 ASN : amide:sc= -3.94! C(o=-3.9!,f=-17!) USER MOD Single : A 85 LYS NZ :NH3+ 160:sc= 1.25 (180deg=1.16) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 89 LYS NZ :NH3+ -171:sc= -0.251 (180deg=-0.331) USER MOD Single : A 91 TYR OH : rot 165:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl -161:sc= -0.284 (180deg=-1.37) USER MOD Single : A 97 GLN : amide:sc= -0.224 K(o=-0.22,f=-4.8!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 TYR OH : rot 180:sc= -0.132 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 103 N LYS A 17 2.608 -13.622 7.197 1.00 0.00 N ATOM 104 CA LYS A 17 3.791 -13.192 6.506 1.00 0.00 C ATOM 105 C LYS A 17 3.401 -12.256 5.370 1.00 0.00 C ATOM 106 O LYS A 17 4.042 -11.223 5.188 1.00 0.00 O ATOM 107 CB LYS A 17 4.648 -14.336 5.928 1.00 0.00 C ATOM 108 CG LYS A 17 5.099 -15.446 6.876 1.00 0.00 C ATOM 109 CD LYS A 17 3.981 -16.419 7.197 1.00 0.00 C ATOM 110 CE LYS A 17 4.497 -17.609 7.972 1.00 0.00 C ATOM 111 NZ LYS A 17 3.421 -18.567 8.292 1.00 0.00 N ATOM 0 HA LYS A 17 4.405 -12.692 7.255 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.085 -14.798 5.117 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.540 -13.893 5.484 1.00 0.00 H new ATOM 0 HG2 LYS A 17 5.931 -15.988 6.427 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.469 -15.003 7.801 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.209 -15.912 7.776 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.514 -16.759 6.272 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.270 -18.112 7.392 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.964 -17.266 8.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.817 -19.368 8.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.695 -18.094 8.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.992 -18.914 7.411 1.00 0.00 H new ATOM 125 N SER A 18 2.324 -12.583 4.632 1.00 0.00 N ATOM 126 CA SER A 18 2.016 -11.819 3.448 1.00 0.00 C ATOM 127 C SER A 18 1.671 -10.400 3.770 1.00 0.00 C ATOM 128 O SER A 18 2.167 -9.526 3.149 1.00 0.00 O ATOM 129 CB SER A 18 0.968 -12.463 2.559 1.00 0.00 C ATOM 130 OG SER A 18 -0.243 -12.685 3.236 1.00 0.00 O ATOM 0 H SER A 18 1.682 -13.348 4.839 1.00 0.00 H new ATOM 0 HA SER A 18 2.936 -11.812 2.863 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.786 -11.825 1.694 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.349 -13.411 2.181 1.00 0.00 H new ATOM 0 HG SER A 18 -0.969 -12.784 2.585 1.00 0.00 H new ATOM 136 N LYS A 19 0.844 -10.191 4.763 1.00 0.00 N ATOM 137 CA LYS A 19 0.451 -8.846 5.164 1.00 0.00 C ATOM 138 C LYS A 19 1.645 -7.981 5.508 1.00 0.00 C ATOM 139 O LYS A 19 1.703 -6.858 5.067 1.00 0.00 O ATOM 140 CB LYS A 19 -0.588 -8.824 6.314 1.00 0.00 C ATOM 141 CG LYS A 19 -1.803 -9.740 6.101 1.00 0.00 C ATOM 142 CD LYS A 19 -3.073 -9.222 6.770 1.00 0.00 C ATOM 143 CE LYS A 19 -2.894 -8.984 8.246 1.00 0.00 C ATOM 144 NZ LYS A 19 -4.144 -8.518 8.882 1.00 0.00 N ATOM 0 H LYS A 19 0.422 -10.936 5.318 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.039 -8.420 4.288 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.091 -9.113 7.240 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.940 -7.801 6.447 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.983 -9.851 5.032 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.574 -10.732 6.490 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.379 -8.292 6.290 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.879 -9.940 6.617 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.564 -9.906 8.725 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.109 -8.244 8.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -3.981 -8.365 9.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.446 -7.625 8.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.886 -9.235 8.755 1.00 0.00 H new ATOM 158 N GLU A 20 2.620 -8.513 6.234 1.00 0.00 N ATOM 159 CA GLU A 20 3.777 -7.706 6.597 1.00 0.00 C ATOM 160 C GLU A 20 4.713 -7.481 5.410 1.00 0.00 C ATOM 161 O GLU A 20 5.186 -6.357 5.186 1.00 0.00 O ATOM 162 CB GLU A 20 4.526 -8.238 7.823 1.00 0.00 C ATOM 163 CG GLU A 20 4.987 -9.674 7.733 1.00 0.00 C ATOM 164 CD GLU A 20 5.755 -10.087 8.946 1.00 0.00 C ATOM 165 OE1 GLU A 20 5.159 -10.173 10.038 1.00 0.00 O ATOM 166 OE2 GLU A 20 6.991 -10.288 8.846 1.00 0.00 O ATOM 0 H GLU A 20 2.635 -9.474 6.575 1.00 0.00 H new ATOM 0 HA GLU A 20 3.381 -6.733 6.888 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.397 -7.606 7.997 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.879 -8.137 8.694 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.122 -10.326 7.611 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.610 -9.801 6.848 1.00 0.00 H new ATOM 173 N VAL A 21 4.957 -8.522 4.634 1.00 0.00 N ATOM 174 CA VAL A 21 5.803 -8.400 3.462 1.00 0.00 C ATOM 175 C VAL A 21 5.136 -7.464 2.448 1.00 0.00 C ATOM 176 O VAL A 21 5.779 -6.536 1.953 1.00 0.00 O ATOM 177 CB VAL A 21 6.134 -9.781 2.829 1.00 0.00 C ATOM 178 CG1 VAL A 21 7.004 -9.627 1.590 1.00 0.00 C ATOM 179 CG2 VAL A 21 6.844 -10.671 3.841 1.00 0.00 C ATOM 0 H VAL A 21 4.583 -9.457 4.794 1.00 0.00 H new ATOM 0 HA VAL A 21 6.757 -7.972 3.771 1.00 0.00 H new ATOM 0 HB VAL A 21 5.192 -10.244 2.535 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.218 -10.610 1.171 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.479 -9.023 0.850 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.939 -9.137 1.861 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.069 -11.634 3.383 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.771 -10.194 4.158 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.200 -10.823 4.707 1.00 0.00 H new ATOM 189 N PHE A 22 3.832 -7.640 2.260 1.00 0.00 N ATOM 190 CA PHE A 22 3.025 -6.832 1.357 1.00 0.00 C ATOM 191 C PHE A 22 3.037 -5.409 1.792 1.00 0.00 C ATOM 192 O PHE A 22 3.345 -4.517 0.994 1.00 0.00 O ATOM 193 CB PHE A 22 1.552 -7.352 1.303 1.00 0.00 C ATOM 194 CG PHE A 22 0.522 -6.291 0.974 1.00 0.00 C ATOM 195 CD1 PHE A 22 0.455 -5.727 -0.274 1.00 0.00 C ATOM 196 CD2 PHE A 22 -0.349 -5.840 1.945 1.00 0.00 C ATOM 197 CE1 PHE A 22 -0.455 -4.735 -0.553 1.00 0.00 C ATOM 198 CE2 PHE A 22 -1.259 -4.857 1.667 1.00 0.00 C ATOM 199 CZ PHE A 22 -1.316 -4.301 0.419 1.00 0.00 C ATOM 0 H PHE A 22 3.298 -8.363 2.741 1.00 0.00 H new ATOM 0 HA PHE A 22 3.457 -6.910 0.359 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.488 -8.146 0.559 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.302 -7.797 2.266 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.126 -6.067 -1.049 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.312 -6.268 2.936 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.491 -4.298 -1.540 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.936 -4.518 2.437 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.035 -3.525 0.202 1.00 0.00 H new ATOM 209 N ARG A 23 2.698 -5.183 3.058 1.00 0.00 N ATOM 210 CA ARG A 23 2.678 -3.835 3.557 1.00 0.00 C ATOM 211 C ARG A 23 4.038 -3.189 3.445 1.00 0.00 C ATOM 212 O ARG A 23 4.115 -2.016 3.245 1.00 0.00 O ATOM 213 CB ARG A 23 2.089 -3.727 4.970 1.00 0.00 C ATOM 214 CG ARG A 23 2.932 -4.276 6.116 1.00 0.00 C ATOM 215 CD ARG A 23 4.020 -3.309 6.620 1.00 0.00 C ATOM 216 NE ARG A 23 3.663 -1.886 6.476 1.00 0.00 N ATOM 217 CZ ARG A 23 3.551 -1.006 7.471 1.00 0.00 C ATOM 218 NH1 ARG A 23 3.452 -1.415 8.740 1.00 0.00 N ATOM 219 NH2 ARG A 23 3.489 0.287 7.182 1.00 0.00 N ATOM 0 H ARG A 23 2.441 -5.903 3.733 1.00 0.00 H new ATOM 0 HA ARG A 23 1.998 -3.272 2.917 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.886 -2.675 5.173 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.130 -4.244 4.977 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.274 -4.529 6.947 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.407 -5.202 5.792 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.222 -3.519 7.670 1.00 0.00 H new ATOM 0 HD3 ARG A 23 4.944 -3.499 6.074 1.00 0.00 H new ATOM 0 HE ARG A 23 3.486 -1.544 5.531 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.462 -2.412 8.957 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.367 -0.730 9.491 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.527 0.595 6.210 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.403 0.974 7.931 1.00 0.00 H new ATOM 233 N LYS A 24 5.108 -3.969 3.543 1.00 0.00 N ATOM 234 CA LYS A 24 6.420 -3.400 3.432 1.00 0.00 C ATOM 235 C LYS A 24 6.670 -2.932 2.012 1.00 0.00 C ATOM 236 O LYS A 24 7.115 -1.803 1.796 1.00 0.00 O ATOM 237 CB LYS A 24 7.523 -4.384 3.837 1.00 0.00 C ATOM 238 CG LYS A 24 8.915 -3.751 3.782 1.00 0.00 C ATOM 239 CD LYS A 24 9.998 -4.704 4.220 1.00 0.00 C ATOM 240 CE LYS A 24 11.386 -4.075 4.086 1.00 0.00 C ATOM 241 NZ LYS A 24 11.564 -2.879 4.946 1.00 0.00 N ATOM 0 H LYS A 24 5.082 -4.977 3.696 1.00 0.00 H new ATOM 0 HA LYS A 24 6.455 -2.556 4.120 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.331 -4.746 4.847 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.494 -5.251 3.177 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.119 -3.416 2.765 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.934 -2.866 4.418 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.829 -4.997 5.256 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.949 -5.612 3.620 1.00 0.00 H new ATOM 0 HE2 LYS A 24 12.142 -4.817 4.343 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.554 -3.796 3.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.559 -2.576 4.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.958 -2.109 4.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.301 -3.113 5.925 1.00 0.00 H new ATOM 255 N GLU A 25 6.314 -3.791 1.035 1.00 0.00 N ATOM 256 CA GLU A 25 6.542 -3.499 -0.387 1.00 0.00 C ATOM 257 C GLU A 25 5.778 -2.273 -0.723 1.00 0.00 C ATOM 258 O GLU A 25 6.285 -1.342 -1.332 1.00 0.00 O ATOM 259 CB GLU A 25 5.919 -4.543 -1.257 1.00 0.00 C ATOM 260 CG GLU A 25 6.160 -5.943 -0.886 1.00 0.00 C ATOM 261 CD GLU A 25 7.203 -6.601 -1.721 1.00 0.00 C ATOM 262 OE1 GLU A 25 6.860 -7.165 -2.781 1.00 0.00 O ATOM 263 OE2 GLU A 25 8.385 -6.593 -1.330 1.00 0.00 O ATOM 0 H GLU A 25 5.868 -4.691 1.209 1.00 0.00 H new ATOM 0 HA GLU A 25 7.618 -3.429 -0.545 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.842 -4.376 -1.271 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.278 -4.395 -2.276 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.460 -5.988 0.161 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.228 -6.501 -0.974 1.00 0.00 H new ATOM 270 N MET A 26 4.534 -2.309 -0.313 1.00 0.00 N ATOM 271 CA MET A 26 3.592 -1.275 -0.614 1.00 0.00 C ATOM 272 C MET A 26 3.889 0.023 0.115 1.00 0.00 C ATOM 273 O MET A 26 3.748 1.067 -0.449 1.00 0.00 O ATOM 274 CB MET A 26 2.186 -1.768 -0.360 1.00 0.00 C ATOM 275 CG MET A 26 1.108 -0.764 -0.737 1.00 0.00 C ATOM 276 SD MET A 26 1.438 0.101 -2.306 1.00 0.00 S ATOM 277 CE MET A 26 1.072 -1.076 -3.593 1.00 0.00 C ATOM 0 H MET A 26 4.148 -3.070 0.246 1.00 0.00 H new ATOM 0 HA MET A 26 3.686 -1.036 -1.673 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.026 -2.688 -0.923 1.00 0.00 H new ATOM 0 HB3 MET A 26 2.084 -2.018 0.696 1.00 0.00 H new ATOM 0 HG2 MET A 26 0.151 -1.281 -0.810 1.00 0.00 H new ATOM 0 HG3 MET A 26 1.013 -0.028 0.061 1.00 0.00 H new ATOM 0 HE1 MET A 26 1.962 -1.238 -4.201 1.00 0.00 H new ATOM 0 HE2 MET A 26 0.761 -2.020 -3.145 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.269 -0.691 -4.221 1.00 0.00 H new ATOM 287 N SER A 27 4.325 -0.049 1.355 1.00 0.00 N ATOM 288 CA SER A 27 4.735 1.134 2.046 1.00 0.00 C ATOM 289 C SER A 27 5.893 1.752 1.310 1.00 0.00 C ATOM 290 O SER A 27 5.929 2.935 1.144 1.00 0.00 O ATOM 291 CB SER A 27 5.058 0.900 3.539 1.00 0.00 C ATOM 292 OG SER A 27 3.872 0.604 4.283 1.00 0.00 O ATOM 0 H SER A 27 4.401 -0.912 1.894 1.00 0.00 H new ATOM 0 HA SER A 27 3.893 1.826 2.054 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.767 0.078 3.636 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.539 1.786 3.953 1.00 0.00 H new ATOM 0 HG SER A 27 3.110 1.073 3.884 1.00 0.00 H new ATOM 298 N GLN A 28 6.779 0.928 0.774 1.00 0.00 N ATOM 299 CA GLN A 28 7.916 1.445 0.017 1.00 0.00 C ATOM 300 C GLN A 28 7.477 2.003 -1.330 1.00 0.00 C ATOM 301 O GLN A 28 7.971 3.044 -1.775 1.00 0.00 O ATOM 302 CB GLN A 28 8.972 0.372 -0.160 1.00 0.00 C ATOM 303 CG GLN A 28 9.591 -0.072 1.149 1.00 0.00 C ATOM 304 CD GLN A 28 10.351 1.041 1.837 1.00 0.00 C ATOM 305 OE1 GLN A 28 11.539 1.225 1.604 1.00 0.00 O ATOM 306 NE2 GLN A 28 9.690 1.773 2.692 1.00 0.00 N ATOM 0 H GLN A 28 6.738 -0.089 0.845 1.00 0.00 H new ATOM 0 HA GLN A 28 8.353 2.265 0.587 1.00 0.00 H new ATOM 0 HB2 GLN A 28 8.526 -0.490 -0.655 1.00 0.00 H new ATOM 0 HB3 GLN A 28 9.756 0.747 -0.818 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.807 -0.437 1.813 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.266 -0.908 0.963 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.701 1.591 2.861 1.00 0.00 H new ATOM 0 HE22 GLN A 28 10.163 2.527 3.191 1.00 0.00 H new ATOM 315 N PHE A 29 6.570 1.303 -1.970 1.00 0.00 N ATOM 316 CA PHE A 29 5.987 1.719 -3.230 1.00 0.00 C ATOM 317 C PHE A 29 5.270 3.061 -3.055 1.00 0.00 C ATOM 318 O PHE A 29 5.490 3.996 -3.820 1.00 0.00 O ATOM 319 CB PHE A 29 5.020 0.635 -3.722 1.00 0.00 C ATOM 320 CG PHE A 29 4.334 0.932 -5.019 1.00 0.00 C ATOM 321 CD1 PHE A 29 4.932 0.612 -6.215 1.00 0.00 C ATOM 322 CD2 PHE A 29 3.078 1.507 -5.036 1.00 0.00 C ATOM 323 CE1 PHE A 29 4.290 0.862 -7.402 1.00 0.00 C ATOM 324 CE2 PHE A 29 2.438 1.761 -6.220 1.00 0.00 C ATOM 325 CZ PHE A 29 3.044 1.437 -7.398 1.00 0.00 C ATOM 0 H PHE A 29 6.209 0.413 -1.626 1.00 0.00 H new ATOM 0 HA PHE A 29 6.771 1.851 -3.976 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.571 -0.300 -3.827 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.261 0.474 -2.957 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.913 0.161 -6.220 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.595 1.759 -4.104 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.765 0.607 -8.338 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.458 2.216 -6.221 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.540 1.634 -8.333 1.00 0.00 H new ATOM 335 N ILE A 30 4.434 3.138 -2.042 1.00 0.00 N ATOM 336 CA ILE A 30 3.706 4.344 -1.703 1.00 0.00 C ATOM 337 C ILE A 30 4.657 5.441 -1.316 1.00 0.00 C ATOM 338 O ILE A 30 4.484 6.576 -1.740 1.00 0.00 O ATOM 339 CB ILE A 30 2.674 4.110 -0.584 1.00 0.00 C ATOM 340 CG1 ILE A 30 1.561 3.215 -1.109 1.00 0.00 C ATOM 341 CG2 ILE A 30 2.114 5.440 -0.079 1.00 0.00 C ATOM 342 CD1 ILE A 30 0.621 2.703 -0.054 1.00 0.00 C ATOM 0 H ILE A 30 4.237 2.353 -1.421 1.00 0.00 H new ATOM 0 HA ILE A 30 3.154 4.646 -2.593 1.00 0.00 H new ATOM 0 HB ILE A 30 3.160 3.617 0.258 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.986 3.769 -1.851 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.008 2.364 -1.623 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.387 5.252 0.711 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.927 6.051 0.314 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.629 5.966 -0.901 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.139 2.075 -0.518 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.179 2.118 0.677 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.141 3.545 0.445 1.00 0.00 H new ATOM 354 N VAL A 31 5.655 5.108 -0.506 1.00 0.00 N ATOM 355 CA VAL A 31 6.715 6.057 -0.179 1.00 0.00 C ATOM 356 C VAL A 31 7.278 6.668 -1.449 1.00 0.00 C ATOM 357 O VAL A 31 7.322 7.881 -1.575 1.00 0.00 O ATOM 358 CB VAL A 31 7.845 5.393 0.677 1.00 0.00 C ATOM 359 CG1 VAL A 31 9.142 6.192 0.646 1.00 0.00 C ATOM 360 CG2 VAL A 31 7.387 5.281 2.120 1.00 0.00 C ATOM 0 H VAL A 31 5.753 4.193 -0.065 1.00 0.00 H new ATOM 0 HA VAL A 31 6.281 6.851 0.429 1.00 0.00 H new ATOM 0 HB VAL A 31 8.039 4.411 0.246 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.894 5.689 1.255 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.498 6.267 -0.381 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.963 7.192 1.042 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.173 4.819 2.717 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.172 6.275 2.512 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.487 4.669 2.169 1.00 0.00 H new ATOM 370 N GLN A 32 7.615 5.822 -2.411 1.00 0.00 N ATOM 371 CA GLN A 32 8.165 6.253 -3.670 1.00 0.00 C ATOM 372 C GLN A 32 7.171 7.108 -4.435 1.00 0.00 C ATOM 373 O GLN A 32 7.534 8.079 -5.086 1.00 0.00 O ATOM 374 CB GLN A 32 8.532 5.034 -4.491 1.00 0.00 C ATOM 375 CG GLN A 32 9.198 5.347 -5.804 1.00 0.00 C ATOM 376 CD GLN A 32 10.486 6.155 -5.655 1.00 0.00 C ATOM 377 OE1 GLN A 32 11.204 5.955 -4.570 1.00 0.00 O flip ATOM 378 NE2 GLN A 32 10.837 6.948 -6.540 1.00 0.00 N flip ATOM 0 H GLN A 32 7.510 4.811 -2.331 1.00 0.00 H new ATOM 0 HA GLN A 32 9.052 6.857 -3.478 1.00 0.00 H new ATOM 0 HB2 GLN A 32 9.196 4.401 -3.902 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.629 4.456 -4.684 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.421 4.414 -6.321 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.501 5.901 -6.433 1.00 0.00 H new ATOM 0 HE21 GLN A 32 10.256 7.078 -7.368 1.00 0.00 H new ATOM 0 HE22 GLN A 32 11.707 7.471 -6.441 1.00 0.00 H new ATOM 387 N CYS A 33 5.926 6.724 -4.362 1.00 0.00 N ATOM 388 CA CYS A 33 4.856 7.452 -4.985 1.00 0.00 C ATOM 389 C CYS A 33 4.691 8.834 -4.366 1.00 0.00 C ATOM 390 O CYS A 33 4.418 9.781 -5.051 1.00 0.00 O ATOM 391 CB CYS A 33 3.563 6.665 -4.876 1.00 0.00 C ATOM 392 SG CYS A 33 3.580 5.102 -5.777 1.00 0.00 S ATOM 0 H CYS A 33 5.623 5.888 -3.863 1.00 0.00 H new ATOM 0 HA CYS A 33 5.105 7.588 -6.037 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.359 6.465 -3.824 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.743 7.279 -5.249 1.00 0.00 H new ATOM 0 HG CYS A 33 4.379 4.267 -5.182 1.00 0.00 H new ATOM 398 N LEU A 34 4.875 8.915 -3.068 1.00 0.00 N ATOM 399 CA LEU A 34 4.786 10.166 -2.334 1.00 0.00 C ATOM 400 C LEU A 34 6.076 10.982 -2.413 1.00 0.00 C ATOM 401 O LEU A 34 6.083 12.169 -2.076 1.00 0.00 O ATOM 402 CB LEU A 34 4.401 9.932 -0.882 1.00 0.00 C ATOM 403 CG LEU A 34 3.020 9.339 -0.625 1.00 0.00 C ATOM 404 CD1 LEU A 34 2.799 9.201 0.861 1.00 0.00 C ATOM 405 CD2 LEU A 34 1.923 10.199 -1.249 1.00 0.00 C ATOM 0 H LEU A 34 5.093 8.109 -2.482 1.00 0.00 H new ATOM 0 HA LEU A 34 3.999 10.747 -2.815 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.143 9.270 -0.436 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.465 10.884 -0.356 1.00 0.00 H new ATOM 0 HG LEU A 34 2.973 8.355 -1.091 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.812 8.777 1.044 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.560 8.544 1.283 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.866 10.182 1.331 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.950 9.750 -1.048 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.956 11.200 -0.819 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.078 10.262 -2.326 1.00 0.00 H new ATOM 417 N ASN A 35 7.182 10.329 -2.806 1.00 0.00 N ATOM 418 CA ASN A 35 8.474 11.015 -3.075 1.00 0.00 C ATOM 419 C ASN A 35 8.348 12.368 -3.810 1.00 0.00 C ATOM 420 O ASN A 35 8.934 13.348 -3.370 1.00 0.00 O ATOM 421 CB ASN A 35 9.471 10.118 -3.822 1.00 0.00 C ATOM 422 CG ASN A 35 10.307 9.343 -2.903 1.00 0.00 C ATOM 423 OD1 ASN A 35 9.743 8.998 -1.823 1.00 0.00 O flip ATOM 424 ND2 ASN A 35 11.466 9.040 -3.180 1.00 0.00 N flip ATOM 0 H ASN A 35 7.215 9.319 -2.948 1.00 0.00 H new ATOM 0 HA ASN A 35 8.858 11.232 -2.078 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.927 9.438 -4.477 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.106 10.734 -4.458 1.00 0.00 H new ATOM 0 HD21 ASN A 35 11.875 9.343 -4.064 1.00 0.00 H new ATOM 0 HD22 ASN A 35 12.019 8.486 -2.526 1.00 0.00 H new ATOM 431 N PRO A 36 7.599 12.461 -4.946 1.00 0.00 N ATOM 432 CA PRO A 36 7.413 13.739 -5.651 1.00 0.00 C ATOM 433 C PRO A 36 6.493 14.716 -4.910 1.00 0.00 C ATOM 434 O PRO A 36 6.553 15.919 -5.127 1.00 0.00 O ATOM 435 CB PRO A 36 6.782 13.331 -6.983 1.00 0.00 C ATOM 436 CG PRO A 36 6.107 12.039 -6.703 1.00 0.00 C ATOM 437 CD PRO A 36 6.945 11.350 -5.678 1.00 0.00 C ATOM 0 HA PRO A 36 8.359 14.271 -5.749 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.072 14.081 -7.330 1.00 0.00 H new ATOM 0 HB3 PRO A 36 7.537 13.222 -7.762 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.094 12.200 -6.334 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.025 11.437 -7.608 1.00 0.00 H new ATOM 0 HD2 PRO A 36 6.338 10.736 -5.013 1.00 0.00 H new ATOM 0 HD3 PRO A 36 7.679 10.690 -6.140 1.00 0.00 H new ATOM 445 N TYR A 37 5.694 14.209 -4.005 1.00 0.00 N ATOM 446 CA TYR A 37 4.724 15.035 -3.314 1.00 0.00 C ATOM 447 C TYR A 37 5.354 15.795 -2.181 1.00 0.00 C ATOM 448 O TYR A 37 4.900 16.850 -1.807 1.00 0.00 O ATOM 449 CB TYR A 37 3.543 14.208 -2.817 1.00 0.00 C ATOM 450 CG TYR A 37 2.699 13.631 -3.923 1.00 0.00 C ATOM 451 CD1 TYR A 37 3.054 12.461 -4.548 1.00 0.00 C ATOM 452 CD2 TYR A 37 1.550 14.265 -4.337 1.00 0.00 C ATOM 453 CE1 TYR A 37 2.293 11.923 -5.557 1.00 0.00 C ATOM 454 CE2 TYR A 37 0.770 13.743 -5.348 1.00 0.00 C ATOM 455 CZ TYR A 37 1.144 12.566 -5.956 1.00 0.00 C ATOM 456 OH TYR A 37 0.367 12.026 -6.965 1.00 0.00 O ATOM 0 H TYR A 37 5.693 13.228 -3.726 1.00 0.00 H new ATOM 0 HA TYR A 37 4.348 15.761 -4.035 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.917 13.394 -2.195 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.915 14.833 -2.181 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.954 11.951 -4.238 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.253 15.188 -3.862 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.594 11.002 -6.034 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.128 14.255 -5.661 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.409 12.603 -7.125 1.00 0.00 H new ATOM 466 N ARG A 38 6.427 15.273 -1.649 1.00 0.00 N ATOM 467 CA ARG A 38 7.107 15.926 -0.523 1.00 0.00 C ATOM 468 C ARG A 38 8.055 17.019 -1.013 1.00 0.00 C ATOM 469 O ARG A 38 8.704 17.720 -0.215 1.00 0.00 O ATOM 470 CB ARG A 38 7.865 14.908 0.314 1.00 0.00 C ATOM 471 CG ARG A 38 8.925 14.174 -0.463 1.00 0.00 C ATOM 472 CD ARG A 38 9.687 13.209 0.411 1.00 0.00 C ATOM 473 NE ARG A 38 10.716 12.477 -0.334 1.00 0.00 N ATOM 474 CZ ARG A 38 11.550 11.569 0.200 1.00 0.00 C ATOM 475 NH1 ARG A 38 11.494 11.285 1.500 1.00 0.00 N ATOM 476 NH2 ARG A 38 12.440 10.957 -0.572 1.00 0.00 N ATOM 0 H ARG A 38 6.859 14.404 -1.963 1.00 0.00 H new ATOM 0 HA ARG A 38 6.344 16.390 0.102 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.329 15.416 1.160 1.00 0.00 H new ATOM 0 HB3 ARG A 38 7.159 14.186 0.724 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.462 13.631 -1.287 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.617 14.892 -0.903 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.154 13.755 1.230 1.00 0.00 H new ATOM 0 HD3 ARG A 38 8.991 12.499 0.858 1.00 0.00 H new ATOM 0 HE ARG A 38 10.805 12.671 -1.331 1.00 0.00 H new ATOM 0 HH11 ARG A 38 10.815 11.758 2.097 1.00 0.00 H new ATOM 0 HH12 ARG A 38 12.130 10.595 1.899 1.00 0.00 H new ATOM 0 HH21 ARG A 38 12.489 11.177 -1.567 1.00 0.00 H new ATOM 0 HH22 ARG A 38 13.075 10.267 -0.170 1.00 0.00 H new ATOM 490 N LYS A 39 8.125 17.158 -2.307 1.00 0.00 N ATOM 491 CA LYS A 39 8.963 18.154 -2.939 1.00 0.00 C ATOM 492 C LYS A 39 8.270 19.502 -2.866 1.00 0.00 C ATOM 493 O LYS A 39 7.058 19.578 -3.011 1.00 0.00 O ATOM 494 CB LYS A 39 9.221 17.782 -4.399 1.00 0.00 C ATOM 495 CG LYS A 39 9.838 16.415 -4.579 1.00 0.00 C ATOM 496 CD LYS A 39 11.169 16.306 -3.872 1.00 0.00 C ATOM 497 CE LYS A 39 11.684 14.891 -3.917 1.00 0.00 C ATOM 498 NZ LYS A 39 11.988 14.423 -5.291 1.00 0.00 N ATOM 0 H LYS A 39 7.600 16.581 -2.964 1.00 0.00 H new ATOM 0 HA LYS A 39 9.920 18.202 -2.420 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.279 17.820 -4.946 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.879 18.529 -4.844 1.00 0.00 H new ATOM 0 HG2 LYS A 39 9.158 15.655 -4.194 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.973 16.213 -5.642 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.891 16.975 -4.340 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.063 16.626 -2.836 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.585 14.820 -3.308 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.944 14.228 -3.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.417 13.476 -5.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.109 14.381 -5.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.652 15.083 -5.744 1.00 0.00 H new ATOM 512 N PRO A 40 9.014 20.587 -2.650 1.00 0.00 N ATOM 513 CA PRO A 40 8.432 21.920 -2.508 1.00 0.00 C ATOM 514 C PRO A 40 7.846 22.488 -3.804 1.00 0.00 C ATOM 515 O PRO A 40 7.161 23.504 -3.787 1.00 0.00 O ATOM 516 CB PRO A 40 9.582 22.774 -2.005 1.00 0.00 C ATOM 517 CG PRO A 40 10.818 22.074 -2.445 1.00 0.00 C ATOM 518 CD PRO A 40 10.485 20.609 -2.502 1.00 0.00 C ATOM 0 HA PRO A 40 7.578 21.896 -1.832 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.533 23.781 -2.419 1.00 0.00 H new ATOM 0 HB3 PRO A 40 9.552 22.873 -0.920 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.142 22.436 -3.421 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.636 22.259 -1.749 1.00 0.00 H new ATOM 0 HD2 PRO A 40 10.979 20.119 -3.341 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.804 20.091 -1.598 1.00 0.00 H new ATOM 526 N ASP A 41 8.090 21.820 -4.906 1.00 0.00 N ATOM 527 CA ASP A 41 7.605 22.229 -6.187 1.00 0.00 C ATOM 528 C ASP A 41 6.372 21.442 -6.572 1.00 0.00 C ATOM 529 O ASP A 41 5.803 21.669 -7.642 1.00 0.00 O ATOM 530 CB ASP A 41 8.678 21.983 -7.221 1.00 0.00 C ATOM 531 CG ASP A 41 9.112 20.537 -7.284 1.00 0.00 C ATOM 532 OD1 ASP A 41 9.947 20.135 -6.449 1.00 0.00 O ATOM 533 OD2 ASP A 41 8.647 19.784 -8.172 1.00 0.00 O ATOM 0 H ASP A 41 8.642 20.963 -4.930 1.00 0.00 H new ATOM 0 HA ASP A 41 7.349 23.287 -6.140 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.310 22.290 -8.200 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.543 22.607 -6.996 1.00 0.00 H new ATOM 538 N CYS A 42 5.978 20.516 -5.705 1.00 0.00 N ATOM 539 CA CYS A 42 4.846 19.655 -5.958 1.00 0.00 C ATOM 540 C CYS A 42 3.604 20.488 -6.246 1.00 0.00 C ATOM 541 O CYS A 42 3.311 21.478 -5.549 1.00 0.00 O ATOM 542 CB CYS A 42 4.612 18.693 -4.804 1.00 0.00 C ATOM 543 SG CYS A 42 3.300 17.489 -5.112 1.00 0.00 S ATOM 0 H CYS A 42 6.438 20.347 -4.811 1.00 0.00 H new ATOM 0 HA CYS A 42 5.066 19.052 -6.839 1.00 0.00 H new ATOM 0 HB2 CYS A 42 5.539 18.160 -4.594 1.00 0.00 H new ATOM 0 HB3 CYS A 42 4.364 19.266 -3.910 1.00 0.00 H new ATOM 0 HG CYS A 42 2.171 17.953 -4.663 1.00 0.00 H new ATOM 549 N LYS A 43 2.908 20.118 -7.286 1.00 0.00 N ATOM 550 CA LYS A 43 1.776 20.873 -7.756 1.00 0.00 C ATOM 551 C LYS A 43 0.531 20.591 -6.948 1.00 0.00 C ATOM 552 O LYS A 43 -0.303 21.478 -6.747 1.00 0.00 O ATOM 553 CB LYS A 43 1.532 20.567 -9.227 1.00 0.00 C ATOM 554 CG LYS A 43 2.704 20.923 -10.124 1.00 0.00 C ATOM 555 CD LYS A 43 2.425 20.551 -11.559 1.00 0.00 C ATOM 556 CE LYS A 43 3.554 20.966 -12.481 1.00 0.00 C ATOM 557 NZ LYS A 43 3.274 20.594 -13.877 1.00 0.00 N ATOM 0 H LYS A 43 3.110 19.282 -7.834 1.00 0.00 H new ATOM 0 HA LYS A 43 2.006 21.932 -7.634 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.310 19.505 -9.337 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.650 21.113 -9.562 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.906 21.992 -10.055 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.600 20.406 -9.779 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.274 19.474 -11.632 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.499 21.025 -11.883 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.703 22.044 -12.413 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.482 20.495 -12.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.066 20.892 -14.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.156 19.563 -13.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.402 21.064 -14.193 1.00 0.00 H new ATOM 571 N VAL A 44 0.417 19.390 -6.465 1.00 0.00 N ATOM 572 CA VAL A 44 -0.769 18.976 -5.780 1.00 0.00 C ATOM 573 C VAL A 44 -0.430 17.973 -4.679 1.00 0.00 C ATOM 574 O VAL A 44 0.316 17.038 -4.904 1.00 0.00 O ATOM 575 CB VAL A 44 -1.791 18.382 -6.801 1.00 0.00 C ATOM 576 CG1 VAL A 44 -1.192 17.223 -7.591 1.00 0.00 C ATOM 577 CG2 VAL A 44 -3.094 17.977 -6.137 1.00 0.00 C ATOM 0 H VAL A 44 1.140 18.674 -6.534 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.228 19.842 -5.303 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.023 19.179 -7.508 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.934 16.837 -8.290 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.319 17.572 -8.143 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.894 16.430 -6.905 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.773 17.570 -6.886 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.896 17.221 -5.378 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.551 18.849 -5.670 1.00 0.00 H new ATOM 587 N GLY A 45 -0.944 18.213 -3.496 1.00 0.00 N ATOM 588 CA GLY A 45 -0.725 17.320 -2.382 1.00 0.00 C ATOM 589 C GLY A 45 0.711 17.350 -1.872 1.00 0.00 C ATOM 590 O GLY A 45 1.293 16.305 -1.609 1.00 0.00 O ATOM 0 H GLY A 45 -1.521 19.026 -3.279 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.400 17.589 -1.569 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.977 16.303 -2.683 1.00 0.00 H new ATOM 594 N ARG A 46 1.294 18.542 -1.730 1.00 0.00 N ATOM 595 CA ARG A 46 2.643 18.656 -1.231 1.00 0.00 C ATOM 596 C ARG A 46 2.718 18.277 0.234 1.00 0.00 C ATOM 597 O ARG A 46 2.059 18.884 1.088 1.00 0.00 O ATOM 598 CB ARG A 46 3.210 20.062 -1.427 1.00 0.00 C ATOM 599 CG ARG A 46 4.585 20.229 -0.796 1.00 0.00 C ATOM 600 CD ARG A 46 5.248 21.538 -1.150 1.00 0.00 C ATOM 601 NE ARG A 46 4.474 22.725 -0.786 1.00 0.00 N ATOM 602 CZ ARG A 46 4.949 23.779 -0.091 1.00 0.00 C ATOM 603 NH1 ARG A 46 6.166 23.736 0.457 1.00 0.00 N ATOM 604 NH2 ARG A 46 4.196 24.867 0.062 1.00 0.00 N ATOM 0 H ARG A 46 0.846 19.430 -1.955 1.00 0.00 H new ATOM 0 HA ARG A 46 3.249 17.960 -1.811 1.00 0.00 H new ATOM 0 HB2 ARG A 46 3.274 20.279 -2.493 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.524 20.790 -0.994 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.491 20.158 0.288 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.226 19.407 -1.115 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.218 21.586 -0.655 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.437 21.557 -2.223 1.00 0.00 H new ATOM 0 HE ARG A 46 3.498 22.758 -1.081 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.744 22.902 0.352 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.518 24.537 0.981 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.262 24.902 -0.346 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.554 25.665 0.587 1.00 0.00 H new ATOM 618 N ILE A 47 3.508 17.292 0.513 1.00 0.00 N ATOM 619 CA ILE A 47 3.706 16.832 1.849 1.00 0.00 C ATOM 620 C ILE A 47 4.620 17.779 2.607 1.00 0.00 C ATOM 621 O ILE A 47 5.790 17.993 2.242 1.00 0.00 O ATOM 622 CB ILE A 47 4.233 15.393 1.890 1.00 0.00 C ATOM 623 CG1 ILE A 47 3.274 14.480 1.113 1.00 0.00 C ATOM 624 CG2 ILE A 47 4.374 14.952 3.322 1.00 0.00 C ATOM 625 CD1 ILE A 47 3.716 13.048 1.003 1.00 0.00 C ATOM 0 H ILE A 47 4.041 16.778 -0.189 1.00 0.00 H new ATOM 0 HA ILE A 47 2.735 16.823 2.343 1.00 0.00 H new ATOM 0 HB ILE A 47 5.215 15.336 1.420 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.297 14.508 1.596 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.145 14.884 0.109 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.749 13.929 3.352 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.073 15.610 3.838 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.402 14.997 3.814 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.976 12.481 0.438 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.677 13.002 0.490 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.816 12.621 2.001 1.00 0.00 H new ATOM 637 N THR A 48 4.063 18.336 3.631 1.00 0.00 N ATOM 638 CA THR A 48 4.668 19.329 4.467 1.00 0.00 C ATOM 639 C THR A 48 5.862 18.811 5.253 1.00 0.00 C ATOM 640 O THR A 48 6.954 19.403 5.218 1.00 0.00 O ATOM 641 CB THR A 48 3.593 19.832 5.432 1.00 0.00 C ATOM 642 OG1 THR A 48 3.010 18.696 6.097 1.00 0.00 O ATOM 643 CG2 THR A 48 2.512 20.490 4.649 1.00 0.00 C ATOM 0 H THR A 48 3.116 18.098 3.927 1.00 0.00 H new ATOM 0 HA THR A 48 5.052 20.126 3.830 1.00 0.00 H new ATOM 0 HB THR A 48 4.034 20.527 6.147 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.319 19.001 6.721 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.740 20.852 5.328 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.927 21.329 4.090 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.076 19.771 3.955 1.00 0.00 H new ATOM 651 N THR A 49 5.682 17.718 5.932 1.00 0.00 N ATOM 652 CA THR A 49 6.710 17.231 6.812 1.00 0.00 C ATOM 653 C THR A 49 7.001 15.768 6.521 1.00 0.00 C ATOM 654 O THR A 49 6.164 15.066 5.976 1.00 0.00 O ATOM 655 CB THR A 49 6.241 17.348 8.286 1.00 0.00 C ATOM 656 OG1 THR A 49 5.446 18.529 8.449 1.00 0.00 O ATOM 657 CG2 THR A 49 7.437 17.441 9.226 1.00 0.00 C ATOM 0 H THR A 49 4.838 17.146 5.896 1.00 0.00 H new ATOM 0 HA THR A 49 7.608 17.828 6.652 1.00 0.00 H new ATOM 0 HB THR A 49 5.657 16.460 8.527 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.506 18.277 8.563 1.00 0.00 H new ATOM 0 HG21 THR A 49 7.086 17.522 10.255 1.00 0.00 H new ATOM 0 HG22 THR A 49 8.052 16.547 9.122 1.00 0.00 H new ATOM 0 HG23 THR A 49 8.030 18.320 8.974 1.00 0.00 H new ATOM 665 N THR A 50 8.176 15.331 6.885 1.00 0.00 N ATOM 666 CA THR A 50 8.572 13.953 6.792 1.00 0.00 C ATOM 667 C THR A 50 7.637 13.075 7.629 1.00 0.00 C ATOM 668 O THR A 50 7.238 11.997 7.212 1.00 0.00 O ATOM 669 CB THR A 50 10.036 13.817 7.281 1.00 0.00 C ATOM 670 OG1 THR A 50 10.513 12.470 7.182 1.00 0.00 O ATOM 671 CG2 THR A 50 10.229 14.346 8.697 1.00 0.00 C ATOM 0 H THR A 50 8.902 15.939 7.264 1.00 0.00 H new ATOM 0 HA THR A 50 8.506 13.620 5.756 1.00 0.00 H new ATOM 0 HB THR A 50 10.632 14.438 6.612 1.00 0.00 H new ATOM 0 HG1 THR A 50 11.440 12.427 7.498 1.00 0.00 H new ATOM 0 HG21 THR A 50 11.272 14.227 8.991 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.961 15.402 8.731 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.593 13.788 9.384 1.00 0.00 H new ATOM 679 N GLU A 51 7.266 13.582 8.798 1.00 0.00 N ATOM 680 CA GLU A 51 6.335 12.911 9.692 1.00 0.00 C ATOM 681 C GLU A 51 5.001 12.741 9.004 1.00 0.00 C ATOM 682 O GLU A 51 4.349 11.696 9.136 1.00 0.00 O ATOM 683 CB GLU A 51 6.158 13.695 10.974 1.00 0.00 C ATOM 684 CG GLU A 51 7.448 13.998 11.695 1.00 0.00 C ATOM 685 CD GLU A 51 7.205 14.681 13.003 1.00 0.00 C ATOM 686 OE1 GLU A 51 7.057 15.921 13.027 1.00 0.00 O ATOM 687 OE2 GLU A 51 7.156 13.988 14.035 1.00 0.00 O ATOM 0 H GLU A 51 7.606 14.476 9.153 1.00 0.00 H new ATOM 0 HA GLU A 51 6.742 11.932 9.944 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.653 14.634 10.746 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.504 13.135 11.642 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.996 13.071 11.865 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.076 14.629 11.066 1.00 0.00 H new ATOM 694 N ASP A 52 4.625 13.739 8.227 1.00 0.00 N ATOM 695 CA ASP A 52 3.379 13.720 7.476 1.00 0.00 C ATOM 696 C ASP A 52 3.482 12.757 6.346 1.00 0.00 C ATOM 697 O ASP A 52 2.554 12.007 6.069 1.00 0.00 O ATOM 698 CB ASP A 52 3.050 15.118 6.929 1.00 0.00 C ATOM 699 CG ASP A 52 2.452 16.043 7.960 1.00 0.00 C ATOM 700 OD1 ASP A 52 3.212 16.732 8.667 1.00 0.00 O ATOM 701 OD2 ASP A 52 1.197 16.087 8.096 1.00 0.00 O ATOM 0 H ASP A 52 5.174 14.589 8.097 1.00 0.00 H new ATOM 0 HA ASP A 52 2.580 13.410 8.149 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.961 15.568 6.533 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.355 15.019 6.095 1.00 0.00 H new ATOM 706 N PHE A 53 4.637 12.754 5.730 1.00 0.00 N ATOM 707 CA PHE A 53 4.965 11.868 4.636 1.00 0.00 C ATOM 708 C PHE A 53 4.809 10.412 5.090 1.00 0.00 C ATOM 709 O PHE A 53 4.136 9.612 4.447 1.00 0.00 O ATOM 710 CB PHE A 53 6.400 12.159 4.156 1.00 0.00 C ATOM 711 CG PHE A 53 6.941 11.205 3.150 1.00 0.00 C ATOM 712 CD1 PHE A 53 7.589 10.059 3.560 1.00 0.00 C ATOM 713 CD2 PHE A 53 6.799 11.444 1.807 1.00 0.00 C ATOM 714 CE1 PHE A 53 8.080 9.174 2.653 1.00 0.00 C ATOM 715 CE2 PHE A 53 7.293 10.560 0.886 1.00 0.00 C ATOM 716 CZ PHE A 53 7.933 9.425 1.303 1.00 0.00 C ATOM 0 H PHE A 53 5.398 13.385 5.981 1.00 0.00 H new ATOM 0 HA PHE A 53 4.286 12.035 3.800 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.427 13.163 3.732 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.062 12.162 5.022 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.708 9.862 4.615 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.293 12.338 1.473 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.583 8.278 2.987 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.178 10.758 -0.169 1.00 0.00 H new ATOM 0 HZ PHE A 53 8.323 8.726 0.577 1.00 0.00 H new ATOM 726 N LYS A 54 5.409 10.117 6.208 1.00 0.00 N ATOM 727 CA LYS A 54 5.382 8.807 6.797 1.00 0.00 C ATOM 728 C LYS A 54 3.984 8.421 7.245 1.00 0.00 C ATOM 729 O LYS A 54 3.547 7.277 7.040 1.00 0.00 O ATOM 730 CB LYS A 54 6.356 8.779 7.966 1.00 0.00 C ATOM 731 CG LYS A 54 7.803 8.959 7.513 1.00 0.00 C ATOM 732 CD LYS A 54 8.749 8.926 8.673 1.00 0.00 C ATOM 733 CE LYS A 54 10.197 9.077 8.230 1.00 0.00 C ATOM 734 NZ LYS A 54 11.138 8.957 9.371 1.00 0.00 N ATOM 0 H LYS A 54 5.944 10.797 6.749 1.00 0.00 H new ATOM 0 HA LYS A 54 5.683 8.074 6.048 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.097 9.568 8.672 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.258 7.832 8.496 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.065 8.172 6.806 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.905 9.908 6.986 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.497 9.726 9.369 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.630 7.986 9.211 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.430 8.316 7.485 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.331 10.046 7.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.114 9.065 9.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.932 9.699 10.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.028 8.023 9.815 1.00 0.00 H new ATOM 748 N HIS A 55 3.252 9.394 7.787 1.00 0.00 N ATOM 749 CA HIS A 55 1.874 9.187 8.247 1.00 0.00 C ATOM 750 C HIS A 55 1.011 8.837 7.067 1.00 0.00 C ATOM 751 O HIS A 55 0.206 7.913 7.122 1.00 0.00 O ATOM 752 CB HIS A 55 1.331 10.466 8.920 1.00 0.00 C ATOM 753 CG HIS A 55 -0.117 10.402 9.390 1.00 0.00 C ATOM 754 ND1 HIS A 55 -0.484 10.036 10.664 1.00 0.00 N ATOM 755 CD2 HIS A 55 -1.289 10.674 8.736 1.00 0.00 C ATOM 756 CE1 HIS A 55 -1.791 10.073 10.782 1.00 0.00 C ATOM 757 NE2 HIS A 55 -2.307 10.455 9.628 1.00 0.00 N ATOM 0 H HIS A 55 3.594 10.346 7.920 1.00 0.00 H new ATOM 0 HA HIS A 55 1.859 8.377 8.976 1.00 0.00 H new ATOM 0 HB2 HIS A 55 1.962 10.699 9.778 1.00 0.00 H new ATOM 0 HB3 HIS A 55 1.429 11.294 8.218 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -1.392 10.999 7.711 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -2.351 9.831 11.674 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -3.302 10.569 9.432 1.00 0.00 H new ATOM 765 N LEU A 56 1.167 9.575 6.023 1.00 0.00 N ATOM 766 CA LEU A 56 0.394 9.351 4.854 1.00 0.00 C ATOM 767 C LEU A 56 0.781 8.051 4.180 1.00 0.00 C ATOM 768 O LEU A 56 -0.099 7.274 3.830 1.00 0.00 O ATOM 769 CB LEU A 56 0.518 10.491 3.867 1.00 0.00 C ATOM 770 CG LEU A 56 -0.767 11.017 3.248 1.00 0.00 C ATOM 771 CD1 LEU A 56 -0.512 11.605 1.887 1.00 0.00 C ATOM 772 CD2 LEU A 56 -1.923 10.029 3.277 1.00 0.00 C ATOM 0 H LEU A 56 1.831 10.347 5.956 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.645 9.289 5.176 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.015 11.321 4.370 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.175 10.168 3.059 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.109 11.829 3.890 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.449 11.973 1.468 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.196 12.430 1.974 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.098 10.839 1.231 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.801 10.482 2.816 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.647 9.130 2.726 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.151 9.765 4.310 1.00 0.00 H new ATOM 784 N ALA A 57 2.084 7.789 4.028 1.00 0.00 N ATOM 785 CA ALA A 57 2.537 6.557 3.382 1.00 0.00 C ATOM 786 C ALA A 57 1.948 5.341 4.084 1.00 0.00 C ATOM 787 O ALA A 57 1.438 4.406 3.431 1.00 0.00 O ATOM 788 CB ALA A 57 4.052 6.476 3.311 1.00 0.00 C ATOM 0 H ALA A 57 2.834 8.406 4.340 1.00 0.00 H new ATOM 0 HA ALA A 57 2.175 6.569 2.354 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.344 5.546 2.824 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.435 7.321 2.739 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.465 6.503 4.319 1.00 0.00 H new ATOM 794 N ARG A 58 1.919 5.397 5.401 1.00 0.00 N ATOM 795 CA ARG A 58 1.388 4.276 6.175 1.00 0.00 C ATOM 796 C ARG A 58 -0.142 4.210 6.063 1.00 0.00 C ATOM 797 O ARG A 58 -0.718 3.126 5.957 1.00 0.00 O ATOM 798 CB ARG A 58 1.853 4.302 7.643 1.00 0.00 C ATOM 799 CG ARG A 58 1.342 5.458 8.469 1.00 0.00 C ATOM 800 CD ARG A 58 1.855 5.394 9.885 1.00 0.00 C ATOM 801 NE ARG A 58 1.366 4.211 10.594 1.00 0.00 N ATOM 802 CZ ARG A 58 1.745 3.849 11.816 1.00 0.00 C ATOM 803 NH1 ARG A 58 2.669 4.561 12.460 1.00 0.00 N ATOM 804 NH2 ARG A 58 1.215 2.769 12.389 1.00 0.00 N ATOM 0 H ARG A 58 2.248 6.187 5.955 1.00 0.00 H new ATOM 0 HA ARG A 58 1.797 3.363 5.742 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.542 3.373 8.120 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.943 4.320 7.660 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.650 6.398 8.011 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.252 5.449 8.475 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.945 5.386 9.875 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.548 6.291 10.422 1.00 0.00 H new ATOM 0 HE ARG A 58 0.685 3.621 10.116 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.083 5.380 12.015 1.00 0.00 H new ATOM 0 HH12 ARG A 58 2.962 4.287 13.398 1.00 0.00 H new ATOM 0 HH21 ARG A 58 0.517 2.218 11.890 1.00 0.00 H new ATOM 0 HH22 ARG A 58 1.508 2.494 13.327 1.00 0.00 H new ATOM 818 N LYS A 59 -0.777 5.382 6.037 1.00 0.00 N ATOM 819 CA LYS A 59 -2.230 5.513 5.896 1.00 0.00 C ATOM 820 C LYS A 59 -2.674 4.877 4.582 1.00 0.00 C ATOM 821 O LYS A 59 -3.602 4.068 4.545 1.00 0.00 O ATOM 822 CB LYS A 59 -2.609 7.036 5.957 1.00 0.00 C ATOM 823 CG LYS A 59 -4.105 7.431 5.875 1.00 0.00 C ATOM 824 CD LYS A 59 -4.706 7.307 4.465 1.00 0.00 C ATOM 825 CE LYS A 59 -6.156 7.791 4.415 1.00 0.00 C ATOM 826 NZ LYS A 59 -6.270 9.232 4.735 1.00 0.00 N ATOM 0 H LYS A 59 -0.294 6.277 6.114 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.743 4.995 6.707 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.211 7.439 6.888 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.088 7.540 5.143 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.675 6.802 6.559 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.219 8.459 6.219 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.106 7.886 3.763 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.660 6.267 4.141 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.566 7.606 3.422 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.755 7.214 5.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -7.244 9.551 4.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.031 9.385 5.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.615 9.774 4.136 1.00 0.00 H new ATOM 840 N LEU A 60 -1.989 5.227 3.522 1.00 0.00 N ATOM 841 CA LEU A 60 -2.331 4.763 2.189 1.00 0.00 C ATOM 842 C LEU A 60 -2.078 3.295 2.049 1.00 0.00 C ATOM 843 O LEU A 60 -2.877 2.581 1.437 1.00 0.00 O ATOM 844 CB LEU A 60 -1.560 5.572 1.189 1.00 0.00 C ATOM 845 CG LEU A 60 -1.853 7.043 1.322 1.00 0.00 C ATOM 846 CD1 LEU A 60 -0.776 7.901 0.693 1.00 0.00 C ATOM 847 CD2 LEU A 60 -3.209 7.357 0.751 1.00 0.00 C ATOM 0 H LEU A 60 -1.176 5.842 3.553 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.396 4.905 2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.493 5.399 1.326 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.810 5.240 0.181 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.859 7.285 2.385 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.032 8.953 0.814 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.179 7.701 1.180 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.698 7.667 -0.369 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.409 8.424 0.853 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.232 7.083 -0.304 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.970 6.792 1.289 1.00 0.00 H new ATOM 859 N THR A 61 -0.972 2.831 2.656 1.00 0.00 N ATOM 860 CA THR A 61 -0.661 1.410 2.657 1.00 0.00 C ATOM 861 C THR A 61 -1.806 0.686 3.297 1.00 0.00 C ATOM 862 O THR A 61 -2.314 -0.307 2.781 1.00 0.00 O ATOM 863 CB THR A 61 0.625 1.094 3.475 1.00 0.00 C ATOM 864 OG1 THR A 61 1.750 1.825 2.963 1.00 0.00 O ATOM 865 CG2 THR A 61 0.944 -0.401 3.430 1.00 0.00 C ATOM 0 H THR A 61 -0.294 3.417 3.143 1.00 0.00 H new ATOM 0 HA THR A 61 -0.497 1.095 1.626 1.00 0.00 H new ATOM 0 HB THR A 61 0.437 1.394 4.506 1.00 0.00 H new ATOM 0 HG1 THR A 61 1.634 2.779 3.153 1.00 0.00 H new ATOM 0 HG21 THR A 61 1.847 -0.598 4.008 1.00 0.00 H new ATOM 0 HG22 THR A 61 0.112 -0.964 3.853 1.00 0.00 H new ATOM 0 HG23 THR A 61 1.101 -0.709 2.396 1.00 0.00 H new ATOM 873 N HIS A 62 -2.268 1.267 4.369 1.00 0.00 N ATOM 874 CA HIS A 62 -3.288 0.671 5.178 1.00 0.00 C ATOM 875 C HIS A 62 -4.632 0.647 4.439 1.00 0.00 C ATOM 876 O HIS A 62 -5.384 -0.330 4.551 1.00 0.00 O ATOM 877 CB HIS A 62 -3.371 1.375 6.540 1.00 0.00 C ATOM 878 CG HIS A 62 -4.303 0.772 7.548 1.00 0.00 C ATOM 879 ND1 HIS A 62 -3.883 -0.115 8.505 1.00 0.00 N ATOM 880 CD2 HIS A 62 -5.625 0.967 7.775 1.00 0.00 C ATOM 881 CE1 HIS A 62 -4.889 -0.443 9.274 1.00 0.00 C ATOM 882 NE2 HIS A 62 -5.961 0.199 8.856 1.00 0.00 N ATOM 0 H HIS A 62 -1.944 2.173 4.706 1.00 0.00 H new ATOM 0 HA HIS A 62 -3.024 -0.369 5.371 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.371 1.401 6.972 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.672 2.409 6.372 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -6.287 1.607 7.210 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -4.848 -1.125 10.110 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -6.890 0.134 9.271 1.00 0.00 H new ATOM 890 N GLY A 63 -4.910 1.680 3.675 1.00 0.00 N ATOM 891 CA GLY A 63 -6.153 1.736 2.945 1.00 0.00 C ATOM 892 C GLY A 63 -6.199 0.776 1.778 1.00 0.00 C ATOM 893 O GLY A 63 -7.218 0.131 1.577 1.00 0.00 O ATOM 0 H GLY A 63 -4.297 2.485 3.545 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.976 1.513 3.624 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.307 2.751 2.579 1.00 0.00 H new ATOM 897 N VAL A 64 -5.087 0.626 1.043 1.00 0.00 N ATOM 898 CA VAL A 64 -5.037 -0.317 -0.107 1.00 0.00 C ATOM 899 C VAL A 64 -5.125 -1.740 0.429 1.00 0.00 C ATOM 900 O VAL A 64 -5.841 -2.585 -0.105 1.00 0.00 O ATOM 901 CB VAL A 64 -3.729 -0.158 -0.956 1.00 0.00 C ATOM 902 CG1 VAL A 64 -3.652 -1.207 -2.085 1.00 0.00 C ATOM 903 CG2 VAL A 64 -3.649 1.243 -1.545 1.00 0.00 C ATOM 0 H VAL A 64 -4.218 1.132 1.213 1.00 0.00 H new ATOM 0 HA VAL A 64 -5.876 -0.092 -0.765 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.882 -0.319 -0.289 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.732 -1.065 -2.652 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.661 -2.208 -1.653 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.508 -1.090 -2.749 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.736 1.339 -2.132 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.513 1.418 -2.186 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.641 1.977 -0.739 1.00 0.00 H new ATOM 913 N MET A 65 -4.467 -1.925 1.551 1.00 0.00 N ATOM 914 CA MET A 65 -4.406 -3.189 2.267 1.00 0.00 C ATOM 915 C MET A 65 -5.807 -3.611 2.683 1.00 0.00 C ATOM 916 O MET A 65 -6.276 -4.677 2.343 1.00 0.00 O ATOM 917 CB MET A 65 -3.505 -3.008 3.479 1.00 0.00 C ATOM 918 CG MET A 65 -3.430 -4.144 4.445 1.00 0.00 C ATOM 919 SD MET A 65 -2.240 -3.756 5.732 1.00 0.00 S ATOM 920 CE MET A 65 -2.594 -5.045 6.872 1.00 0.00 C ATOM 0 H MET A 65 -3.942 -1.180 2.008 1.00 0.00 H new ATOM 0 HA MET A 65 -3.997 -3.973 1.630 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.496 -2.799 3.123 1.00 0.00 H new ATOM 0 HB3 MET A 65 -3.841 -2.124 4.021 1.00 0.00 H new ATOM 0 HG2 MET A 65 -4.411 -4.327 4.884 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.137 -5.057 3.927 1.00 0.00 H new ATOM 0 HE1 MET A 65 -1.927 -4.965 7.731 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.628 -4.961 7.206 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.446 -6.010 6.387 1.00 0.00 H new ATOM 930 N ASN A 66 -6.483 -2.728 3.358 1.00 0.00 N ATOM 931 CA ASN A 66 -7.832 -2.958 3.831 1.00 0.00 C ATOM 932 C ASN A 66 -8.834 -3.030 2.687 1.00 0.00 C ATOM 933 O ASN A 66 -9.843 -3.719 2.773 1.00 0.00 O ATOM 934 CB ASN A 66 -8.195 -1.896 4.862 1.00 0.00 C ATOM 935 CG ASN A 66 -7.810 -2.314 6.255 1.00 0.00 C ATOM 936 OD1 ASN A 66 -8.596 -2.898 6.984 1.00 0.00 O ATOM 937 ND2 ASN A 66 -6.593 -2.046 6.626 1.00 0.00 N ATOM 0 H ASN A 66 -6.113 -1.810 3.604 1.00 0.00 H new ATOM 0 HA ASN A 66 -7.875 -3.933 4.316 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.694 -0.961 4.612 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -9.267 -1.704 4.824 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -6.269 -2.325 7.552 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -5.962 -1.556 5.991 1.00 0.00 H new ATOM 944 N LYS A 67 -8.554 -2.313 1.625 1.00 0.00 N ATOM 945 CA LYS A 67 -9.346 -2.326 0.408 1.00 0.00 C ATOM 946 C LYS A 67 -9.361 -3.711 -0.165 1.00 0.00 C ATOM 947 O LYS A 67 -10.409 -4.244 -0.492 1.00 0.00 O ATOM 948 CB LYS A 67 -8.746 -1.354 -0.615 1.00 0.00 C ATOM 949 CG LYS A 67 -9.465 -1.280 -1.947 1.00 0.00 C ATOM 950 CD LYS A 67 -8.676 -0.429 -2.927 1.00 0.00 C ATOM 951 CE LYS A 67 -9.360 -0.349 -4.277 1.00 0.00 C ATOM 952 NZ LYS A 67 -10.650 0.372 -4.212 1.00 0.00 N ATOM 0 H LYS A 67 -7.750 -1.687 1.577 1.00 0.00 H new ATOM 0 HA LYS A 67 -10.365 -2.017 0.640 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.729 -0.357 -0.176 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.710 -1.640 -0.797 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.598 -2.283 -2.352 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.460 -0.858 -1.808 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.554 0.575 -2.521 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.677 -0.847 -3.049 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.701 0.153 -4.986 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.529 -1.357 -4.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.006 0.535 -5.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.339 -0.197 -3.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.513 1.286 -3.735 1.00 0.00 H new ATOM 966 N GLU A 68 -8.223 -4.311 -0.267 1.00 0.00 N ATOM 967 CA GLU A 68 -8.186 -5.603 -0.777 1.00 0.00 C ATOM 968 C GLU A 68 -8.545 -6.636 0.228 1.00 0.00 C ATOM 969 O GLU A 68 -9.125 -7.604 -0.108 1.00 0.00 O ATOM 970 CB GLU A 68 -6.958 -5.880 -1.553 1.00 0.00 C ATOM 971 CG GLU A 68 -5.635 -5.679 -0.879 1.00 0.00 C ATOM 972 CD GLU A 68 -4.577 -5.856 -1.906 1.00 0.00 C ATOM 973 OE1 GLU A 68 -4.492 -4.990 -2.800 1.00 0.00 O ATOM 974 OE2 GLU A 68 -3.918 -6.919 -1.925 1.00 0.00 O ATOM 0 H GLU A 68 -7.322 -3.915 -0.001 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.985 -5.670 -1.515 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -7.005 -6.915 -1.893 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -6.977 -5.251 -2.443 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.577 -4.684 -0.437 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.505 -6.396 -0.068 1.00 0.00 H new ATOM 981 N LEU A 69 -8.246 -6.433 1.471 1.00 0.00 N ATOM 982 CA LEU A 69 -8.767 -7.356 2.483 1.00 0.00 C ATOM 983 C LEU A 69 -10.293 -7.393 2.445 1.00 0.00 C ATOM 984 O LEU A 69 -10.893 -8.439 2.686 1.00 0.00 O ATOM 985 CB LEU A 69 -8.283 -7.009 3.898 1.00 0.00 C ATOM 986 CG LEU A 69 -6.989 -7.647 4.415 1.00 0.00 C ATOM 987 CD1 LEU A 69 -7.200 -9.116 4.736 1.00 0.00 C ATOM 988 CD2 LEU A 69 -5.875 -7.514 3.422 1.00 0.00 C ATOM 0 H LEU A 69 -7.666 -5.671 1.823 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.377 -8.344 2.238 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.160 -5.927 3.948 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.081 -7.272 4.593 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.713 -7.114 5.325 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.267 -9.546 5.101 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.969 -9.214 5.502 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.515 -9.644 3.836 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.973 -7.978 3.822 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.155 -8.009 2.492 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.685 -6.458 3.228 1.00 0.00 H new ATOM 1000 N LYS A 70 -10.925 -6.286 2.083 1.00 0.00 N ATOM 1001 CA LYS A 70 -12.363 -6.276 2.001 1.00 0.00 C ATOM 1002 C LYS A 70 -12.856 -6.807 0.645 1.00 0.00 C ATOM 1003 O LYS A 70 -13.866 -7.503 0.575 1.00 0.00 O ATOM 1004 CB LYS A 70 -12.949 -4.880 2.354 1.00 0.00 C ATOM 1005 CG LYS A 70 -12.653 -3.745 1.404 1.00 0.00 C ATOM 1006 CD LYS A 70 -13.476 -2.506 1.745 1.00 0.00 C ATOM 1007 CE LYS A 70 -13.285 -2.022 3.187 1.00 0.00 C ATOM 1008 NZ LYS A 70 -11.903 -1.585 3.469 1.00 0.00 N ATOM 0 H LYS A 70 -10.469 -5.404 1.847 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.743 -6.965 2.756 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -14.032 -4.979 2.434 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -12.580 -4.599 3.341 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.591 -3.501 1.445 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.869 -4.058 0.382 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.206 -1.701 1.061 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -14.531 -2.724 1.580 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.969 -1.195 3.381 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -13.554 -2.825 3.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -11.825 -1.301 4.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -11.246 -2.369 3.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.663 -0.777 2.859 1.00 0.00 H new ATOM 1022 N TYR A 71 -12.095 -6.553 -0.415 1.00 0.00 N ATOM 1023 CA TYR A 71 -12.498 -6.948 -1.777 1.00 0.00 C ATOM 1024 C TYR A 71 -11.729 -8.163 -2.310 1.00 0.00 C ATOM 1025 O TYR A 71 -11.768 -8.465 -3.494 1.00 0.00 O ATOM 1026 CB TYR A 71 -12.353 -5.753 -2.738 1.00 0.00 C ATOM 1027 CG TYR A 71 -13.194 -4.549 -2.343 1.00 0.00 C ATOM 1028 CD1 TYR A 71 -14.402 -4.711 -1.669 1.00 0.00 C ATOM 1029 CD2 TYR A 71 -12.774 -3.258 -2.623 1.00 0.00 C ATOM 1030 CE1 TYR A 71 -15.157 -3.639 -1.288 1.00 0.00 C ATOM 1031 CE2 TYR A 71 -13.531 -2.165 -2.246 1.00 0.00 C ATOM 1032 CZ TYR A 71 -14.721 -2.360 -1.576 1.00 0.00 C ATOM 1033 OH TYR A 71 -15.485 -1.267 -1.200 1.00 0.00 O ATOM 0 H TYR A 71 -11.195 -6.076 -0.366 1.00 0.00 H new ATOM 0 HA TYR A 71 -13.544 -7.251 -1.720 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -11.305 -5.456 -2.780 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -12.635 -6.069 -3.742 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -14.750 -5.708 -1.442 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -11.841 -3.104 -3.144 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -16.090 -3.790 -0.765 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -13.193 -1.165 -2.474 1.00 0.00 H new ATOM 0 HH TYR A 71 -15.034 -0.442 -1.477 1.00 0.00 H new ATOM 1043 N CYS A 72 -11.060 -8.853 -1.435 1.00 0.00 N ATOM 1044 CA CYS A 72 -10.331 -10.072 -1.769 1.00 0.00 C ATOM 1045 C CYS A 72 -10.645 -11.105 -0.747 1.00 0.00 C ATOM 1046 O CYS A 72 -10.998 -12.239 -1.081 1.00 0.00 O ATOM 1047 CB CYS A 72 -8.803 -9.834 -1.816 1.00 0.00 C ATOM 1048 SG CYS A 72 -8.197 -8.967 -3.282 1.00 0.00 S ATOM 0 H CYS A 72 -10.995 -8.593 -0.451 1.00 0.00 H new ATOM 0 HA CYS A 72 -10.641 -10.402 -2.761 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -8.514 -9.264 -0.933 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -8.300 -10.799 -1.752 1.00 0.00 H new ATOM 0 HG CYS A 72 -6.907 -8.828 -3.201 1.00 0.00 H new ATOM 1054 N LYS A 73 -10.500 -10.701 0.530 1.00 0.00 N ATOM 1055 CA LYS A 73 -10.793 -11.529 1.713 1.00 0.00 C ATOM 1056 C LYS A 73 -9.751 -12.607 1.942 1.00 0.00 C ATOM 1057 O LYS A 73 -9.429 -12.924 3.078 1.00 0.00 O ATOM 1058 CB LYS A 73 -12.200 -12.113 1.653 1.00 0.00 C ATOM 1059 CG LYS A 73 -13.283 -11.042 1.628 1.00 0.00 C ATOM 1060 CD LYS A 73 -14.630 -11.646 1.354 1.00 0.00 C ATOM 1061 CE LYS A 73 -15.746 -10.617 1.410 1.00 0.00 C ATOM 1062 NZ LYS A 73 -15.644 -9.574 0.354 1.00 0.00 N ATOM 0 H LYS A 73 -10.168 -9.767 0.772 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.747 -10.865 2.576 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.292 -12.737 0.764 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.356 -12.761 2.515 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -13.303 -10.518 2.583 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -13.050 -10.302 0.863 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -14.622 -12.116 0.371 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -14.828 -12.433 2.082 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -16.705 -11.127 1.315 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -15.737 -10.135 2.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -16.516 -9.008 0.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -14.833 -8.955 0.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -15.512 -10.029 -0.572 1.00 0.00 H new ATOM 1076 N ASN A 74 -9.230 -13.154 0.875 1.00 0.00 N ATOM 1077 CA ASN A 74 -8.207 -14.154 0.952 1.00 0.00 C ATOM 1078 C ASN A 74 -6.865 -13.472 0.793 1.00 0.00 C ATOM 1079 O ASN A 74 -6.537 -12.977 -0.278 1.00 0.00 O ATOM 1080 CB ASN A 74 -8.382 -15.229 -0.133 1.00 0.00 C ATOM 1081 CG ASN A 74 -9.795 -15.772 -0.198 1.00 0.00 C ATOM 1082 OD1 ASN A 74 -10.598 -15.341 -1.032 1.00 0.00 O ATOM 1083 ND2 ASN A 74 -10.134 -16.661 0.705 1.00 0.00 N ATOM 0 H ASN A 74 -9.508 -12.914 -0.077 1.00 0.00 H new ATOM 0 HA ASN A 74 -8.273 -14.656 1.917 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -8.114 -14.808 -1.102 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -7.691 -16.049 0.060 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -11.088 -17.020 0.734 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -9.443 -16.994 1.378 1.00 0.00 H new ATOM 1090 N PRO A 75 -6.081 -13.387 1.864 1.00 0.00 N ATOM 1091 CA PRO A 75 -4.778 -12.720 1.832 1.00 0.00 C ATOM 1092 C PRO A 75 -3.703 -13.459 1.096 1.00 0.00 C ATOM 1093 O PRO A 75 -2.569 -13.003 0.996 1.00 0.00 O ATOM 1094 CB PRO A 75 -4.374 -12.575 3.223 1.00 0.00 C ATOM 1095 CG PRO A 75 -5.221 -13.557 4.014 1.00 0.00 C ATOM 1096 CD PRO A 75 -6.422 -13.875 3.204 1.00 0.00 C ATOM 0 HA PRO A 75 -4.895 -11.779 1.294 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.312 -12.790 3.345 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.534 -11.554 3.571 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.655 -14.463 4.229 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -5.510 -13.126 4.973 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -6.629 -14.945 3.199 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -7.311 -13.380 3.596 1.00 0.00 H new ATOM 1104 N GLU A 76 -4.046 -14.600 0.624 1.00 0.00 N ATOM 1105 CA GLU A 76 -3.233 -15.328 -0.328 1.00 0.00 C ATOM 1106 C GLU A 76 -3.082 -14.470 -1.591 1.00 0.00 C ATOM 1107 O GLU A 76 -2.107 -14.568 -2.341 1.00 0.00 O ATOM 1108 CB GLU A 76 -3.924 -16.621 -0.680 1.00 0.00 C ATOM 1109 CG GLU A 76 -3.137 -17.550 -1.571 1.00 0.00 C ATOM 1110 CD GLU A 76 -3.987 -18.685 -2.030 1.00 0.00 C ATOM 1111 OE1 GLU A 76 -4.383 -19.514 -1.192 1.00 0.00 O ATOM 1112 OE2 GLU A 76 -4.328 -18.735 -3.237 1.00 0.00 O ATOM 0 H GLU A 76 -4.910 -15.078 0.881 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.253 -15.545 0.097 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.166 -17.148 0.243 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.869 -16.387 -1.171 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.758 -17.001 -2.433 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.271 -17.933 -1.031 1.00 0.00 H new ATOM 1119 N ASP A 77 -4.014 -13.567 -1.733 1.00 0.00 N ATOM 1120 CA ASP A 77 -4.108 -12.688 -2.887 1.00 0.00 C ATOM 1121 C ASP A 77 -3.555 -11.356 -2.538 1.00 0.00 C ATOM 1122 O ASP A 77 -3.327 -10.517 -3.411 1.00 0.00 O ATOM 1123 CB ASP A 77 -5.554 -12.521 -3.376 1.00 0.00 C ATOM 1124 CG ASP A 77 -6.107 -13.744 -4.052 1.00 0.00 C ATOM 1125 OD1 ASP A 77 -5.819 -13.947 -5.249 1.00 0.00 O ATOM 1126 OD2 ASP A 77 -6.871 -14.501 -3.426 1.00 0.00 O ATOM 0 H ASP A 77 -4.748 -13.412 -1.041 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.535 -13.144 -3.694 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.189 -12.268 -2.527 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.599 -11.681 -4.070 1.00 0.00 H new ATOM 1131 N LEU A 78 -3.300 -11.176 -1.266 1.00 0.00 N ATOM 1132 CA LEU A 78 -2.796 -9.978 -0.743 1.00 0.00 C ATOM 1133 C LEU A 78 -1.318 -9.977 -0.986 1.00 0.00 C ATOM 1134 O LEU A 78 -0.549 -10.697 -0.332 1.00 0.00 O ATOM 1135 CB LEU A 78 -3.085 -9.961 0.720 1.00 0.00 C ATOM 1136 CG LEU A 78 -2.567 -8.803 1.489 1.00 0.00 C ATOM 1137 CD1 LEU A 78 -3.318 -7.541 1.190 1.00 0.00 C ATOM 1138 CD2 LEU A 78 -2.564 -9.097 2.936 1.00 0.00 C ATOM 0 H LEU A 78 -3.450 -11.898 -0.561 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.247 -9.101 -1.207 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.166 -10.002 0.854 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.675 -10.871 1.158 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.538 -8.636 1.171 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.902 -6.722 1.777 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.230 -7.308 0.129 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.369 -7.674 1.447 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.181 -8.235 3.482 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.580 -9.312 3.266 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.929 -9.961 3.130 1.00 0.00 H new ATOM 1150 N GLU A 79 -0.968 -9.302 -1.985 1.00 0.00 N ATOM 1151 CA GLU A 79 0.339 -9.186 -2.440 1.00 0.00 C ATOM 1152 C GLU A 79 0.477 -7.821 -3.001 1.00 0.00 C ATOM 1153 O GLU A 79 -0.459 -7.317 -3.573 1.00 0.00 O ATOM 1154 CB GLU A 79 0.491 -10.177 -3.559 1.00 0.00 C ATOM 1155 CG GLU A 79 1.796 -10.144 -4.254 1.00 0.00 C ATOM 1156 CD GLU A 79 2.940 -10.384 -3.306 1.00 0.00 C ATOM 1157 OE1 GLU A 79 3.248 -11.544 -2.990 1.00 0.00 O ATOM 1158 OE2 GLU A 79 3.529 -9.396 -2.833 1.00 0.00 O ATOM 0 H GLU A 79 -1.635 -8.776 -2.550 1.00 0.00 H new ATOM 0 HA GLU A 79 1.075 -9.361 -1.656 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.335 -11.179 -3.160 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.297 -9.999 -4.291 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.809 -10.901 -5.039 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.924 -9.177 -4.741 1.00 0.00 H new ATOM 1165 N CYS A 80 1.632 -7.246 -2.892 1.00 0.00 N ATOM 1166 CA CYS A 80 1.870 -5.974 -3.491 1.00 0.00 C ATOM 1167 C CYS A 80 2.279 -6.242 -4.899 1.00 0.00 C ATOM 1168 O CYS A 80 3.452 -6.185 -5.263 1.00 0.00 O ATOM 1169 CB CYS A 80 2.921 -5.148 -2.729 1.00 0.00 C ATOM 1170 SG CYS A 80 3.431 -3.606 -3.540 1.00 0.00 S ATOM 0 H CYS A 80 2.428 -7.640 -2.391 1.00 0.00 H new ATOM 0 HA CYS A 80 0.968 -5.363 -3.457 1.00 0.00 H new ATOM 0 HB2 CYS A 80 2.525 -4.907 -1.743 1.00 0.00 H new ATOM 0 HB3 CYS A 80 3.804 -5.768 -2.575 1.00 0.00 H new ATOM 0 HG CYS A 80 3.741 -3.849 -4.779 1.00 0.00 H new ATOM 1176 N ASN A 81 1.322 -6.644 -5.673 1.00 0.00 N ATOM 1177 CA ASN A 81 1.606 -7.025 -7.011 1.00 0.00 C ATOM 1178 C ASN A 81 1.277 -5.880 -7.908 1.00 0.00 C ATOM 1179 O ASN A 81 0.842 -4.854 -7.455 1.00 0.00 O ATOM 1180 CB ASN A 81 0.811 -8.244 -7.452 1.00 0.00 C ATOM 1181 CG ASN A 81 -0.673 -7.928 -7.591 1.00 0.00 C ATOM 1182 OD1 ASN A 81 -1.097 -7.423 -8.535 1.00 0.00 O ATOM 1183 ND2 ASN A 81 -1.418 -8.199 -6.665 1.00 0.00 N ATOM 0 H ASN A 81 0.342 -6.715 -5.399 1.00 0.00 H new ATOM 0 HA ASN A 81 2.662 -7.288 -7.068 1.00 0.00 H new ATOM 0 HB2 ASN A 81 1.197 -8.605 -8.405 1.00 0.00 H new ATOM 0 HB3 ASN A 81 0.946 -9.048 -6.728 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.412 -7.978 -6.729 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.048 -8.646 -5.827 1.00 0.00 H new ATOM 1190 N GLU A 82 1.443 -6.108 -9.155 1.00 0.00 N ATOM 1191 CA GLU A 82 1.172 -5.185 -10.235 1.00 0.00 C ATOM 1192 C GLU A 82 -0.226 -4.567 -10.191 1.00 0.00 C ATOM 1193 O GLU A 82 -0.381 -3.354 -10.271 1.00 0.00 O ATOM 1194 CB GLU A 82 1.348 -5.940 -11.488 1.00 0.00 C ATOM 1195 CG GLU A 82 2.804 -6.052 -11.931 1.00 0.00 C ATOM 1196 CD GLU A 82 3.708 -6.746 -10.930 1.00 0.00 C ATOM 1197 OE1 GLU A 82 3.632 -7.974 -10.787 1.00 0.00 O ATOM 1198 OE2 GLU A 82 4.485 -6.059 -10.242 1.00 0.00 O ATOM 0 H GLU A 82 1.797 -7.003 -9.492 1.00 0.00 H new ATOM 0 HA GLU A 82 1.858 -4.342 -10.150 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.937 -6.942 -11.360 1.00 0.00 H new ATOM 0 HB3 GLU A 82 0.772 -5.458 -12.278 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.844 -6.594 -12.876 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.192 -5.051 -12.121 1.00 0.00 H new ATOM 1205 N ASN A 83 -1.214 -5.419 -10.079 1.00 0.00 N ATOM 1206 CA ASN A 83 -2.619 -5.058 -9.942 1.00 0.00 C ATOM 1207 C ASN A 83 -2.739 -4.148 -8.751 1.00 0.00 C ATOM 1208 O ASN A 83 -3.315 -3.047 -8.835 1.00 0.00 O ATOM 1209 CB ASN A 83 -3.467 -6.336 -9.663 1.00 0.00 C ATOM 1210 CG ASN A 83 -4.973 -6.098 -9.649 1.00 0.00 C ATOM 1211 OD1 ASN A 83 -5.452 -5.001 -9.357 1.00 0.00 O ATOM 1212 ND2 ASN A 83 -5.732 -7.120 -9.929 1.00 0.00 N ATOM 0 H ASN A 83 -1.064 -6.428 -10.080 1.00 0.00 H new ATOM 0 HA ASN A 83 -2.973 -4.577 -10.854 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -3.236 -7.084 -10.421 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -3.168 -6.754 -8.702 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -6.747 -7.022 -9.909 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.311 -8.018 -10.168 1.00 0.00 H new ATOM 1219 N VAL A 84 -2.158 -4.587 -7.641 1.00 0.00 N ATOM 1220 CA VAL A 84 -2.218 -3.793 -6.422 1.00 0.00 C ATOM 1221 C VAL A 84 -1.511 -2.446 -6.594 1.00 0.00 C ATOM 1222 O VAL A 84 -2.073 -1.394 -6.253 1.00 0.00 O ATOM 1223 CB VAL A 84 -1.658 -4.563 -5.239 1.00 0.00 C ATOM 1224 CG1 VAL A 84 -1.582 -3.708 -4.003 1.00 0.00 C ATOM 1225 CG2 VAL A 84 -2.531 -5.733 -4.973 1.00 0.00 C ATOM 0 H VAL A 84 -1.651 -5.468 -7.560 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.268 -3.585 -6.217 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.646 -4.883 -5.486 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.176 -4.295 -3.179 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.934 -2.852 -4.192 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.580 -3.357 -3.742 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.139 -6.294 -4.125 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.540 -5.390 -4.745 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.556 -6.376 -5.853 1.00 0.00 H new ATOM 1235 N LYS A 85 -0.313 -2.485 -7.173 1.00 0.00 N ATOM 1236 CA LYS A 85 0.478 -1.283 -7.441 1.00 0.00 C ATOM 1237 C LYS A 85 -0.312 -0.329 -8.240 1.00 0.00 C ATOM 1238 O LYS A 85 -0.400 0.835 -7.895 1.00 0.00 O ATOM 1239 CB LYS A 85 1.748 -1.628 -8.191 1.00 0.00 C ATOM 1240 CG LYS A 85 2.683 -2.473 -7.399 1.00 0.00 C ATOM 1241 CD LYS A 85 3.815 -2.984 -8.239 1.00 0.00 C ATOM 1242 CE LYS A 85 4.548 -4.029 -7.472 1.00 0.00 C ATOM 1243 NZ LYS A 85 5.608 -4.679 -8.259 1.00 0.00 N ATOM 0 H LYS A 85 0.138 -3.350 -7.470 1.00 0.00 H new ATOM 0 HA LYS A 85 0.744 -0.833 -6.485 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.488 -2.149 -9.112 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.255 -0.707 -8.478 1.00 0.00 H new ATOM 0 HG2 LYS A 85 3.081 -1.893 -6.566 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.139 -3.315 -6.971 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.435 -3.398 -9.173 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.488 -2.168 -8.503 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.988 -3.578 -6.582 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.841 -4.785 -7.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 6.289 -5.131 -7.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.187 -5.399 -8.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.098 -3.966 -8.837 1.00 0.00 H new ATOM 1257 N HIS A 86 -0.954 -0.854 -9.257 1.00 0.00 N ATOM 1258 CA HIS A 86 -1.750 -0.053 -10.148 1.00 0.00 C ATOM 1259 C HIS A 86 -2.836 0.687 -9.375 1.00 0.00 C ATOM 1260 O HIS A 86 -2.949 1.932 -9.449 1.00 0.00 O ATOM 1261 CB HIS A 86 -2.364 -0.875 -11.297 1.00 0.00 C ATOM 1262 CG HIS A 86 -3.133 -0.017 -12.265 1.00 0.00 C ATOM 1263 ND1 HIS A 86 -2.523 0.759 -13.224 1.00 0.00 N ATOM 1264 CD2 HIS A 86 -4.456 0.241 -12.368 1.00 0.00 C ATOM 1265 CE1 HIS A 86 -3.423 1.458 -13.867 1.00 0.00 C ATOM 1266 NE2 HIS A 86 -4.611 1.166 -13.369 1.00 0.00 N ATOM 0 H HIS A 86 -0.937 -1.848 -9.487 1.00 0.00 H new ATOM 0 HA HIS A 86 -1.080 0.675 -10.606 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -1.571 -1.399 -11.830 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -3.026 -1.635 -10.883 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -5.243 -0.199 -11.774 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -3.228 2.155 -14.668 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -5.498 1.563 -13.678 1.00 0.00 H new ATOM 1274 N LYS A 87 -3.587 -0.067 -8.581 1.00 0.00 N ATOM 1275 CA LYS A 87 -4.697 0.522 -7.811 1.00 0.00 C ATOM 1276 C LYS A 87 -4.158 1.558 -6.863 1.00 0.00 C ATOM 1277 O LYS A 87 -4.784 2.582 -6.639 1.00 0.00 O ATOM 1278 CB LYS A 87 -5.506 -0.479 -6.984 1.00 0.00 C ATOM 1279 CG LYS A 87 -6.175 -1.620 -7.711 1.00 0.00 C ATOM 1280 CD LYS A 87 -7.220 -2.228 -6.785 1.00 0.00 C ATOM 1281 CE LYS A 87 -7.871 -3.469 -7.342 1.00 0.00 C ATOM 1282 NZ LYS A 87 -7.013 -4.668 -7.210 1.00 0.00 N ATOM 0 H LYS A 87 -3.459 -1.070 -8.448 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.369 0.943 -8.559 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -4.842 -0.905 -6.232 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -6.278 0.075 -6.450 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -6.642 -1.264 -8.629 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -5.439 -2.371 -7.998 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -6.751 -2.471 -5.831 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.990 -1.484 -6.582 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -8.815 -3.643 -6.825 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.108 -3.310 -8.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -7.609 -5.520 -7.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.369 -4.725 -8.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -6.457 -4.603 -6.333 1.00 0.00 H new ATOM 1296 N THR A 88 -2.983 1.311 -6.398 1.00 0.00 N ATOM 1297 CA THR A 88 -2.394 2.075 -5.415 1.00 0.00 C ATOM 1298 C THR A 88 -1.967 3.395 -5.931 1.00 0.00 C ATOM 1299 O THR A 88 -2.485 4.385 -5.505 1.00 0.00 O ATOM 1300 CB THR A 88 -1.230 1.330 -4.847 1.00 0.00 C ATOM 1301 OG1 THR A 88 -1.706 0.214 -4.113 1.00 0.00 O ATOM 1302 CG2 THR A 88 -0.376 2.228 -4.009 1.00 0.00 C ATOM 0 H THR A 88 -2.404 0.536 -6.721 1.00 0.00 H new ATOM 0 HA THR A 88 -3.129 2.261 -4.632 1.00 0.00 H new ATOM 0 HB THR A 88 -0.598 0.968 -5.658 1.00 0.00 H new ATOM 0 HG1 THR A 88 -1.911 -0.520 -4.729 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.464 1.661 -3.608 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.001 3.048 -4.621 1.00 0.00 H new ATOM 0 HG23 THR A 88 -0.968 2.630 -3.187 1.00 0.00 H new ATOM 1310 N LYS A 89 -1.085 3.408 -6.897 1.00 0.00 N ATOM 1311 CA LYS A 89 -0.582 4.653 -7.390 1.00 0.00 C ATOM 1312 C LYS A 89 -1.682 5.515 -8.013 1.00 0.00 C ATOM 1313 O LYS A 89 -1.643 6.750 -7.925 1.00 0.00 O ATOM 1314 CB LYS A 89 0.643 4.456 -8.300 1.00 0.00 C ATOM 1315 CG LYS A 89 0.551 3.267 -9.221 1.00 0.00 C ATOM 1316 CD LYS A 89 -0.478 3.400 -10.276 1.00 0.00 C ATOM 1317 CE LYS A 89 0.010 4.099 -11.560 1.00 0.00 C ATOM 1318 NZ LYS A 89 0.172 5.568 -11.430 1.00 0.00 N ATOM 0 H LYS A 89 -0.706 2.577 -7.351 1.00 0.00 H new ATOM 0 HA LYS A 89 -0.222 5.223 -6.533 1.00 0.00 H new ATOM 0 HB2 LYS A 89 0.782 5.355 -8.900 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.530 4.349 -7.676 1.00 0.00 H new ATOM 0 HG2 LYS A 89 1.521 3.110 -9.692 1.00 0.00 H new ATOM 0 HG3 LYS A 89 0.336 2.378 -8.629 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.845 2.407 -10.535 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -1.324 3.957 -9.873 1.00 0.00 H new ATOM 0 HE2 LYS A 89 0.965 3.664 -11.856 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -0.697 3.893 -12.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 0.353 5.982 -12.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.696 5.979 -11.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 0.973 5.774 -10.800 1.00 0.00 H new ATOM 1332 N GLU A 90 -2.680 4.850 -8.613 1.00 0.00 N ATOM 1333 CA GLU A 90 -3.839 5.565 -9.156 1.00 0.00 C ATOM 1334 C GLU A 90 -4.694 6.152 -8.031 1.00 0.00 C ATOM 1335 O GLU A 90 -5.141 7.327 -8.100 1.00 0.00 O ATOM 1336 CB GLU A 90 -4.669 4.669 -10.060 1.00 0.00 C ATOM 1337 CG GLU A 90 -3.954 4.283 -11.340 1.00 0.00 C ATOM 1338 CD GLU A 90 -3.625 5.479 -12.194 1.00 0.00 C ATOM 1339 OE1 GLU A 90 -4.485 5.895 -12.981 1.00 0.00 O ATOM 1340 OE2 GLU A 90 -2.490 6.017 -12.105 1.00 0.00 O ATOM 0 H GLU A 90 -2.707 3.837 -8.732 1.00 0.00 H new ATOM 0 HA GLU A 90 -3.465 6.390 -9.763 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.938 3.764 -9.515 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -5.599 5.179 -10.311 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.035 3.751 -11.094 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -4.578 3.594 -11.909 1.00 0.00 H new ATOM 1347 N TYR A 91 -4.825 5.390 -6.947 1.00 0.00 N ATOM 1348 CA TYR A 91 -5.588 5.842 -5.813 1.00 0.00 C ATOM 1349 C TYR A 91 -4.860 6.993 -5.194 1.00 0.00 C ATOM 1350 O TYR A 91 -5.445 8.002 -4.945 1.00 0.00 O ATOM 1351 CB TYR A 91 -5.811 4.705 -4.793 1.00 0.00 C ATOM 1352 CG TYR A 91 -6.063 5.154 -3.369 1.00 0.00 C ATOM 1353 CD1 TYR A 91 -7.213 5.855 -3.008 1.00 0.00 C ATOM 1354 CD2 TYR A 91 -5.135 4.864 -2.382 1.00 0.00 C ATOM 1355 CE1 TYR A 91 -7.414 6.255 -1.695 1.00 0.00 C ATOM 1356 CE2 TYR A 91 -5.322 5.253 -1.086 1.00 0.00 C ATOM 1357 CZ TYR A 91 -6.463 5.951 -0.738 1.00 0.00 C ATOM 1358 OH TYR A 91 -6.650 6.345 0.573 1.00 0.00 O ATOM 0 H TYR A 91 -4.411 4.464 -6.841 1.00 0.00 H new ATOM 0 HA TYR A 91 -6.578 6.161 -6.139 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -6.659 4.104 -5.123 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.937 4.054 -4.802 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -7.954 6.089 -3.758 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -4.241 4.317 -2.644 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -8.306 6.799 -1.422 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -4.581 5.016 -0.336 1.00 0.00 H new ATOM 0 HH TYR A 91 -6.028 5.858 1.153 1.00 0.00 H new ATOM 1368 N ILE A 92 -3.561 6.816 -5.007 1.00 0.00 N ATOM 1369 CA ILE A 92 -2.668 7.839 -4.458 1.00 0.00 C ATOM 1370 C ILE A 92 -2.814 9.154 -5.163 1.00 0.00 C ATOM 1371 O ILE A 92 -3.110 10.151 -4.518 1.00 0.00 O ATOM 1372 CB ILE A 92 -1.191 7.403 -4.554 1.00 0.00 C ATOM 1373 CG1 ILE A 92 -0.923 6.157 -3.711 1.00 0.00 C ATOM 1374 CG2 ILE A 92 -0.248 8.557 -4.178 1.00 0.00 C ATOM 1375 CD1 ILE A 92 -0.644 6.418 -2.294 1.00 0.00 C ATOM 0 H ILE A 92 -3.084 5.944 -5.235 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.956 7.959 -3.414 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.988 7.139 -5.592 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.787 5.496 -3.780 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.077 5.621 -4.140 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.786 8.221 -4.254 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.409 9.394 -4.857 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.452 8.875 -3.155 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.467 5.474 -1.778 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.240 7.050 -2.208 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -1.497 6.924 -1.842 1.00 0.00 H new ATOM 1387 N LYS A 93 -2.602 9.171 -6.464 1.00 0.00 N ATOM 1388 CA LYS A 93 -2.687 10.412 -7.176 1.00 0.00 C ATOM 1389 C LYS A 93 -4.055 11.032 -7.014 1.00 0.00 C ATOM 1390 O LYS A 93 -4.168 12.185 -6.568 1.00 0.00 O ATOM 1391 CB LYS A 93 -2.179 10.303 -8.654 1.00 0.00 C ATOM 1392 CG LYS A 93 -2.818 9.220 -9.544 1.00 0.00 C ATOM 1393 CD LYS A 93 -4.145 9.631 -10.180 1.00 0.00 C ATOM 1394 CE LYS A 93 -3.961 10.745 -11.199 1.00 0.00 C ATOM 1395 NZ LYS A 93 -5.211 11.043 -11.920 1.00 0.00 N ATOM 0 H LYS A 93 -2.375 8.355 -7.032 1.00 0.00 H new ATOM 0 HA LYS A 93 -1.988 11.115 -6.722 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -2.333 11.269 -9.135 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.104 10.127 -8.629 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.116 8.956 -10.335 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -2.978 8.323 -8.946 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -4.599 8.767 -10.664 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -4.835 9.960 -9.402 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -3.610 11.645 -10.694 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -3.189 10.459 -11.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -5.043 11.807 -12.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -5.533 10.192 -12.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -5.941 11.340 -11.241 1.00 0.00 H new ATOM 1409 N LYS A 94 -5.091 10.223 -7.161 1.00 0.00 N ATOM 1410 CA LYS A 94 -6.435 10.756 -7.109 1.00 0.00 C ATOM 1411 C LYS A 94 -6.710 11.261 -5.676 1.00 0.00 C ATOM 1412 O LYS A 94 -7.400 12.270 -5.473 1.00 0.00 O ATOM 1413 CB LYS A 94 -7.449 9.673 -7.566 1.00 0.00 C ATOM 1414 CG LYS A 94 -8.827 10.166 -8.066 1.00 0.00 C ATOM 1415 CD LYS A 94 -9.692 10.827 -7.000 1.00 0.00 C ATOM 1416 CE LYS A 94 -10.092 9.861 -5.900 1.00 0.00 C ATOM 1417 NZ LYS A 94 -10.951 10.504 -4.891 1.00 0.00 N ATOM 0 H LYS A 94 -5.028 9.217 -7.314 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.546 11.599 -7.791 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.987 9.092 -8.364 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.616 8.992 -6.732 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.671 10.875 -8.879 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.372 9.319 -8.482 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -9.149 11.666 -6.564 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -10.589 11.235 -7.465 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -10.617 9.011 -6.336 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -9.197 9.469 -5.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -11.202 9.811 -4.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -10.441 11.299 -4.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -11.817 10.856 -5.346 1.00 0.00 H new ATOM 1431 N TYR A 95 -6.136 10.575 -4.719 1.00 0.00 N ATOM 1432 CA TYR A 95 -6.253 10.916 -3.348 1.00 0.00 C ATOM 1433 C TYR A 95 -5.596 12.253 -3.060 1.00 0.00 C ATOM 1434 O TYR A 95 -6.208 13.130 -2.507 1.00 0.00 O ATOM 1435 CB TYR A 95 -5.614 9.819 -2.547 1.00 0.00 C ATOM 1436 CG TYR A 95 -5.464 10.113 -1.100 1.00 0.00 C ATOM 1437 CD1 TYR A 95 -6.541 10.041 -0.240 1.00 0.00 C ATOM 1438 CD2 TYR A 95 -4.244 10.476 -0.590 1.00 0.00 C ATOM 1439 CE1 TYR A 95 -6.391 10.315 1.089 1.00 0.00 C ATOM 1440 CE2 TYR A 95 -4.085 10.735 0.724 1.00 0.00 C ATOM 1441 CZ TYR A 95 -5.157 10.656 1.572 1.00 0.00 C ATOM 1442 OH TYR A 95 -4.974 10.883 2.927 1.00 0.00 O ATOM 0 H TYR A 95 -5.564 9.748 -4.889 1.00 0.00 H new ATOM 0 HA TYR A 95 -7.304 11.017 -3.076 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -6.208 8.912 -2.660 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -4.629 9.609 -2.965 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -7.513 9.765 -0.622 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -3.395 10.556 -1.253 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.240 10.263 1.754 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.112 11.005 1.107 1.00 0.00 H new ATOM 0 HH TYR A 95 -5.720 11.416 3.273 1.00 0.00 H new ATOM 1452 N MET A 96 -4.361 12.406 -3.470 1.00 0.00 N ATOM 1453 CA MET A 96 -3.624 13.614 -3.217 1.00 0.00 C ATOM 1454 C MET A 96 -4.291 14.813 -3.875 1.00 0.00 C ATOM 1455 O MET A 96 -4.140 15.946 -3.409 1.00 0.00 O ATOM 1456 CB MET A 96 -2.194 13.490 -3.659 1.00 0.00 C ATOM 1457 CG MET A 96 -1.451 12.293 -3.089 1.00 0.00 C ATOM 1458 SD MET A 96 -1.409 12.292 -1.306 1.00 0.00 S ATOM 1459 CE MET A 96 -0.603 13.844 -1.013 1.00 0.00 C ATOM 0 H MET A 96 -3.841 11.697 -3.987 1.00 0.00 H new ATOM 0 HA MET A 96 -3.625 13.775 -2.139 1.00 0.00 H new ATOM 0 HB2 MET A 96 -2.169 13.431 -4.747 1.00 0.00 H new ATOM 0 HB3 MET A 96 -1.661 14.398 -3.377 1.00 0.00 H new ATOM 0 HG2 MET A 96 -1.927 11.376 -3.437 1.00 0.00 H new ATOM 0 HG3 MET A 96 -0.431 12.288 -3.472 1.00 0.00 H new ATOM 0 HE1 MET A 96 -0.196 13.857 -0.002 1.00 0.00 H new ATOM 0 HE2 MET A 96 0.206 13.975 -1.732 1.00 0.00 H new ATOM 0 HE3 MET A 96 -1.323 14.655 -1.125 1.00 0.00 H new ATOM 1469 N GLN A 97 -5.071 14.553 -4.930 1.00 0.00 N ATOM 1470 CA GLN A 97 -5.785 15.629 -5.611 1.00 0.00 C ATOM 1471 C GLN A 97 -6.843 16.259 -4.711 1.00 0.00 C ATOM 1472 O GLN A 97 -7.338 17.349 -4.996 1.00 0.00 O ATOM 1473 CB GLN A 97 -6.444 15.184 -6.920 1.00 0.00 C ATOM 1474 CG GLN A 97 -5.549 14.440 -7.886 1.00 0.00 C ATOM 1475 CD GLN A 97 -4.175 15.048 -8.042 1.00 0.00 C ATOM 1476 OE1 GLN A 97 -3.942 15.927 -8.878 1.00 0.00 O ATOM 1477 NE2 GLN A 97 -3.248 14.532 -7.264 1.00 0.00 N ATOM 0 H GLN A 97 -5.220 13.623 -5.322 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.021 16.368 -5.854 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -7.295 14.547 -6.679 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.838 16.066 -7.425 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -5.443 13.409 -7.547 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -6.033 14.406 -8.862 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -3.494 13.807 -6.589 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -2.284 14.857 -7.335 1.00 0.00 H new ATOM 1486 N LYS A 98 -7.213 15.573 -3.646 1.00 0.00 N ATOM 1487 CA LYS A 98 -8.234 16.090 -2.765 1.00 0.00 C ATOM 1488 C LYS A 98 -7.657 17.115 -1.782 1.00 0.00 C ATOM 1489 O LYS A 98 -8.384 17.933 -1.233 1.00 0.00 O ATOM 1490 CB LYS A 98 -8.970 14.956 -1.998 1.00 0.00 C ATOM 1491 CG LYS A 98 -8.207 14.337 -0.807 1.00 0.00 C ATOM 1492 CD LYS A 98 -9.134 14.165 0.373 1.00 0.00 C ATOM 1493 CE LYS A 98 -9.685 15.515 0.838 1.00 0.00 C ATOM 1494 NZ LYS A 98 -10.906 15.379 1.649 1.00 0.00 N ATOM 0 H LYS A 98 -6.826 14.669 -3.375 1.00 0.00 H new ATOM 0 HA LYS A 98 -8.967 16.593 -3.396 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -9.918 15.349 -1.631 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -9.206 14.161 -2.705 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -7.790 13.372 -1.095 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.369 14.977 -0.530 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -9.958 13.506 0.100 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.600 13.684 1.193 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.923 16.033 1.420 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.899 16.135 -0.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -11.238 16.321 1.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -11.645 14.909 1.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -10.699 14.810 2.495 1.00 0.00 H new ATOM 1508 N PHE A 99 -6.351 17.054 -1.561 1.00 0.00 N ATOM 1509 CA PHE A 99 -5.701 17.952 -0.618 1.00 0.00 C ATOM 1510 C PHE A 99 -5.536 19.349 -1.175 1.00 0.00 C ATOM 1511 O PHE A 99 -5.727 20.337 -0.467 1.00 0.00 O ATOM 1512 CB PHE A 99 -4.355 17.407 -0.147 1.00 0.00 C ATOM 1513 CG PHE A 99 -4.457 16.213 0.745 1.00 0.00 C ATOM 1514 CD1 PHE A 99 -5.179 16.285 1.923 1.00 0.00 C ATOM 1515 CD2 PHE A 99 -3.820 15.029 0.426 1.00 0.00 C ATOM 1516 CE1 PHE A 99 -5.277 15.195 2.756 1.00 0.00 C ATOM 1517 CE2 PHE A 99 -3.909 13.938 1.267 1.00 0.00 C ATOM 1518 CZ PHE A 99 -4.645 14.032 2.431 1.00 0.00 C ATOM 0 H PHE A 99 -5.723 16.394 -2.020 1.00 0.00 H new ATOM 0 HA PHE A 99 -6.364 18.014 0.245 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.756 17.145 -1.019 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -3.820 18.197 0.381 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -5.671 17.208 2.192 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -3.249 14.957 -0.488 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.854 15.261 3.667 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -3.406 13.016 1.016 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.721 13.178 3.088 1.00 0.00 H new ATOM 1528 N GLY A 100 -5.193 19.433 -2.426 1.00 0.00 N ATOM 1529 CA GLY A 100 -4.997 20.697 -3.036 1.00 0.00 C ATOM 1530 C GLY A 100 -3.551 20.949 -3.235 1.00 0.00 C ATOM 1531 O GLY A 100 -2.858 20.127 -3.804 1.00 0.00 O ATOM 0 H GLY A 100 -5.045 18.632 -3.040 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -5.515 20.731 -3.994 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.428 21.481 -2.413 1.00 0.00 H new ATOM 1535 N ALA A 101 -3.085 22.026 -2.720 1.00 0.00 N ATOM 1536 CA ALA A 101 -1.703 22.403 -2.870 1.00 0.00 C ATOM 1537 C ALA A 101 -0.833 21.597 -1.928 1.00 0.00 C ATOM 1538 O ALA A 101 0.178 21.021 -2.332 1.00 0.00 O ATOM 1539 CB ALA A 101 -1.543 23.883 -2.608 1.00 0.00 C ATOM 0 H ALA A 101 -3.644 22.684 -2.177 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.386 22.193 -3.891 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -0.496 24.162 -2.723 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.148 24.446 -3.319 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.870 24.110 -1.593 1.00 0.00 H new ATOM 1545 N VAL A 102 -1.250 21.513 -0.694 1.00 0.00 N ATOM 1546 CA VAL A 102 -0.523 20.812 0.297 1.00 0.00 C ATOM 1547 C VAL A 102 -1.327 19.712 0.888 1.00 0.00 C ATOM 1548 O VAL A 102 -2.554 19.721 0.840 1.00 0.00 O ATOM 1549 CB VAL A 102 -0.009 21.703 1.421 1.00 0.00 C ATOM 1550 CG1 VAL A 102 1.293 22.367 1.050 1.00 0.00 C ATOM 1551 CG2 VAL A 102 -1.051 22.740 1.831 1.00 0.00 C ATOM 0 H VAL A 102 -2.114 21.938 -0.357 1.00 0.00 H new ATOM 0 HA VAL A 102 0.341 20.403 -0.227 1.00 0.00 H new ATOM 0 HB VAL A 102 0.179 21.060 2.281 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.629 22.995 1.875 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.044 21.605 0.844 1.00 0.00 H new ATOM 0 HG13 VAL A 102 1.148 22.982 0.162 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -0.652 23.359 2.635 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -1.294 23.369 0.975 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -1.952 22.233 2.177 1.00 0.00 H new ATOM 1561 N TYR A 103 -0.627 18.786 1.445 1.00 0.00 N ATOM 1562 CA TYR A 103 -1.185 17.674 2.096 1.00 0.00 C ATOM 1563 C TYR A 103 -1.661 18.084 3.478 1.00 0.00 C ATOM 1564 O TYR A 103 -0.867 18.341 4.390 1.00 0.00 O ATOM 1565 CB TYR A 103 -0.166 16.525 2.110 1.00 0.00 C ATOM 1566 CG TYR A 103 -0.416 15.443 3.127 1.00 0.00 C ATOM 1567 CD1 TYR A 103 -1.670 14.954 3.365 1.00 0.00 C ATOM 1568 CD2 TYR A 103 0.619 14.939 3.859 1.00 0.00 C ATOM 1569 CE1 TYR A 103 -1.898 14.004 4.315 1.00 0.00 C ATOM 1570 CE2 TYR A 103 0.418 13.975 4.803 1.00 0.00 C ATOM 1571 CZ TYR A 103 -0.843 13.512 5.039 1.00 0.00 C ATOM 1572 OH TYR A 103 -1.055 12.565 6.022 1.00 0.00 O ATOM 0 H TYR A 103 0.393 18.792 1.454 1.00 0.00 H new ATOM 0 HA TYR A 103 -2.061 17.306 1.562 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -0.146 16.070 1.120 1.00 0.00 H new ATOM 0 HB3 TYR A 103 0.824 16.944 2.288 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -2.501 15.330 2.786 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.618 15.311 3.688 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -2.900 13.642 4.496 1.00 0.00 H new ATOM 0 HE2 TYR A 103 1.254 13.580 5.361 1.00 0.00 H new ATOM 0 HH TYR A 103 -0.199 12.326 6.436 1.00 0.00 H new ATOM 1582 N LYS A 104 -2.947 18.181 3.589 1.00 0.00 N ATOM 1583 CA LYS A 104 -3.615 18.553 4.792 1.00 0.00 C ATOM 1584 C LYS A 104 -4.534 17.412 5.270 1.00 0.00 C ATOM 1585 O LYS A 104 -5.705 17.360 4.928 1.00 0.00 O ATOM 1586 CB LYS A 104 -4.374 19.851 4.541 1.00 0.00 C ATOM 1587 CG LYS A 104 -5.223 19.847 3.278 1.00 0.00 C ATOM 1588 CD LYS A 104 -5.868 21.187 3.053 1.00 0.00 C ATOM 1589 CE LYS A 104 -4.854 22.241 2.632 1.00 0.00 C ATOM 1590 NZ LYS A 104 -5.488 23.559 2.445 1.00 0.00 N ATOM 0 H LYS A 104 -3.584 17.996 2.814 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.897 18.725 5.594 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -5.018 20.053 5.397 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -3.658 20.671 4.481 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -4.602 19.591 2.420 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -5.992 19.079 3.356 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -6.637 21.096 2.286 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -6.367 21.508 3.967 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -4.072 22.317 3.387 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -4.372 21.933 1.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -4.768 24.253 2.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -6.217 23.492 1.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -5.926 23.863 3.338 1.00 0.00 H new ATOM 1604 N PRO A 105 -3.985 16.453 6.043 1.00 0.00 N ATOM 1605 CA PRO A 105 -4.715 15.236 6.487 1.00 0.00 C ATOM 1606 C PRO A 105 -5.915 15.559 7.372 1.00 0.00 C ATOM 1607 O PRO A 105 -6.836 14.768 7.492 1.00 0.00 O ATOM 1608 CB PRO A 105 -3.679 14.441 7.259 1.00 0.00 C ATOM 1609 CG PRO A 105 -2.642 15.435 7.626 1.00 0.00 C ATOM 1610 CD PRO A 105 -2.617 16.472 6.553 1.00 0.00 C ATOM 0 HA PRO A 105 -5.131 14.693 5.638 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -4.114 13.977 8.144 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -3.261 13.638 6.651 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -2.869 15.887 8.591 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -1.667 14.956 7.719 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -2.347 17.452 6.946 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -1.893 16.230 5.775 1.00 0.00 H new