USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 578 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 46 ASN : amide:sc= -0.654! C(o=-0.61!,f=-8.9!) USER MOD Set 1.2: A 47 SER OG : rot -52:sc= 0.0466 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 175:sc= -0.029 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 165:sc=-0.00732 (180deg=-0.184) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc=0.000123 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN :FLIP amide:sc= -2.47! C(o=-3!,f=-2.5!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.027 X(o=-0.027,f=0) USER MOD Single : A 64 SER OG : rot -160:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.303 K(o=-0.3,f=-1.2) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.821 -11.912 19.697 1.00 0.44 N ATOM 2 CA GLY A 1 11.816 -13.364 19.717 1.00 61.53 C ATOM 3 C GLY A 1 11.221 -13.959 18.456 1.00 51.32 C ATOM 4 O GLY A 1 11.478 -13.476 17.353 1.00 14.33 O ATOM 0 H1 GLY A 1 12.237 -11.554 20.580 1.00 0.44 H new ATOM 0 H2 GLY A 1 12.384 -11.578 18.889 1.00 0.44 H new ATOM 0 H3 GLY A 1 10.846 -11.563 19.608 1.00 0.44 H new ATOM 0 HA2 GLY A 1 12.837 -13.726 19.839 1.00 61.53 H new ATOM 0 HA3 GLY A 1 11.249 -13.710 20.581 1.00 61.53 H new ATOM 8 N SER A 2 10.424 -15.010 18.619 1.00 43.31 N ATOM 9 CA SER A 2 9.796 -15.675 17.483 1.00 72.42 C ATOM 10 C SER A 2 8.508 -14.963 17.082 1.00 33.45 C ATOM 11 O SER A 2 7.482 -15.599 16.836 1.00 24.12 O ATOM 12 CB SER A 2 9.499 -17.137 17.821 1.00 30.00 C ATOM 13 OG SER A 2 9.755 -17.979 16.710 1.00 13.24 O ATOM 0 H SER A 2 10.198 -15.419 19.526 1.00 43.31 H new ATOM 0 HA SER A 2 10.489 -15.637 16.643 1.00 72.42 H new ATOM 0 HB2 SER A 2 10.111 -17.450 18.667 1.00 30.00 H new ATOM 0 HB3 SER A 2 8.458 -17.239 18.126 1.00 30.00 H new ATOM 0 HG SER A 2 9.559 -18.908 16.952 1.00 13.24 H new ATOM 19 N THR A 3 8.567 -13.636 17.018 1.00 20.21 N ATOM 20 CA THR A 3 7.406 -12.836 16.648 1.00 33.15 C ATOM 21 C THR A 3 6.984 -13.110 15.209 1.00 11.51 C ATOM 22 O THR A 3 7.809 -13.081 14.295 1.00 32.21 O ATOM 23 CB THR A 3 7.688 -11.330 16.810 1.00 34.25 C ATOM 24 OG1 THR A 3 8.033 -11.040 18.170 1.00 63.14 O ATOM 25 CG2 THR A 3 6.475 -10.507 16.403 1.00 51.44 C ATOM 0 H THR A 3 9.407 -13.093 17.218 1.00 20.21 H new ATOM 0 HA THR A 3 6.598 -13.122 17.321 1.00 33.15 H new ATOM 0 HB THR A 3 8.522 -11.066 16.160 1.00 34.25 H new ATOM 0 HG1 THR A 3 8.212 -10.081 18.265 1.00 63.14 H new ATOM 0 HG21 THR A 3 6.697 -9.447 16.526 1.00 51.44 H new ATOM 0 HG22 THR A 3 6.232 -10.709 15.360 1.00 51.44 H new ATOM 0 HG23 THR A 3 5.626 -10.775 17.032 1.00 51.44 H new ATOM 33 N MET A 4 5.698 -13.375 15.015 1.00 25.35 N ATOM 34 CA MET A 4 5.167 -13.654 13.685 1.00 51.24 C ATOM 35 C MET A 4 5.390 -12.468 12.752 1.00 42.43 C ATOM 36 O MET A 4 5.541 -11.333 13.202 1.00 71.32 O ATOM 37 CB MET A 4 3.674 -13.979 13.766 1.00 12.03 C ATOM 38 CG MET A 4 3.321 -15.351 13.216 1.00 21.14 C ATOM 39 SD MET A 4 1.542 -15.649 13.182 1.00 45.53 S ATOM 40 CE MET A 4 1.274 -15.891 11.427 1.00 13.20 C ATOM 0 H MET A 4 5.003 -13.403 15.761 1.00 25.35 H new ATOM 0 HA MET A 4 5.698 -14.517 13.283 1.00 51.24 H new ATOM 0 HB2 MET A 4 3.353 -13.920 14.806 1.00 12.03 H new ATOM 0 HB3 MET A 4 3.115 -13.221 13.217 1.00 12.03 H new ATOM 0 HG2 MET A 4 3.721 -15.448 12.207 1.00 21.14 H new ATOM 0 HG3 MET A 4 3.802 -16.117 13.824 1.00 21.14 H new ATOM 0 HE1 MET A 4 0.217 -16.086 11.244 1.00 13.20 H new ATOM 0 HE2 MET A 4 1.576 -14.995 10.886 1.00 13.20 H new ATOM 0 HE3 MET A 4 1.865 -16.740 11.082 1.00 13.20 H new ATOM 50 N ALA A 5 5.412 -12.740 11.451 1.00 52.51 N ATOM 51 CA ALA A 5 5.616 -11.695 10.456 1.00 24.04 C ATOM 52 C ALA A 5 4.308 -10.981 10.134 1.00 21.05 C ATOM 53 O ALA A 5 4.184 -9.774 10.338 1.00 20.31 O ATOM 54 CB ALA A 5 6.223 -12.284 9.191 1.00 53.33 C ATOM 0 H ALA A 5 5.291 -13.675 11.062 1.00 52.51 H new ATOM 0 HA ALA A 5 6.307 -10.961 10.871 1.00 24.04 H new ATOM 0 HB1 ALA A 5 6.370 -11.493 8.456 1.00 53.33 H new ATOM 0 HB2 ALA A 5 7.183 -12.743 9.428 1.00 53.33 H new ATOM 0 HB3 ALA A 5 5.551 -13.039 8.782 1.00 53.33 H new ATOM 60 N GLU A 6 3.336 -11.735 9.628 1.00 34.11 N ATOM 61 CA GLU A 6 2.038 -11.172 9.278 1.00 63.21 C ATOM 62 C GLU A 6 2.202 -9.848 8.536 1.00 42.13 C ATOM 63 O GLU A 6 1.458 -8.897 8.773 1.00 44.55 O ATOM 64 CB GLU A 6 1.190 -10.963 10.534 1.00 53.10 C ATOM 65 CG GLU A 6 -0.266 -10.648 10.240 1.00 35.44 C ATOM 66 CD GLU A 6 -0.751 -9.404 10.958 1.00 52.24 C ATOM 67 OE1 GLU A 6 -1.851 -9.448 11.547 1.00 1.33 O ATOM 68 OE2 GLU A 6 -0.031 -8.384 10.929 1.00 11.34 O ATOM 0 H GLU A 6 3.424 -12.736 9.452 1.00 34.11 H new ATOM 0 HA GLU A 6 1.531 -11.878 8.621 1.00 63.21 H new ATOM 0 HB2 GLU A 6 1.241 -11.861 11.150 1.00 53.10 H new ATOM 0 HB3 GLU A 6 1.618 -10.149 11.120 1.00 53.10 H new ATOM 0 HG2 GLU A 6 -0.395 -10.516 9.166 1.00 35.44 H new ATOM 0 HG3 GLU A 6 -0.884 -11.497 10.534 1.00 35.44 H new ATOM 76 N GLU A 7 3.181 -9.796 7.639 1.00 43.10 N ATOM 77 CA GLU A 7 3.443 -8.589 6.863 1.00 14.45 C ATOM 78 C GLU A 7 2.736 -8.646 5.513 1.00 40.15 C ATOM 79 O GLU A 7 2.523 -9.722 4.955 1.00 23.43 O ATOM 80 CB GLU A 7 4.948 -8.406 6.656 1.00 11.34 C ATOM 81 CG GLU A 7 5.507 -7.158 7.317 1.00 75.24 C ATOM 82 CD GLU A 7 6.993 -6.983 7.073 1.00 12.43 C ATOM 83 OE1 GLU A 7 7.367 -6.047 6.336 1.00 12.21 O ATOM 84 OE2 GLU A 7 7.782 -7.782 7.620 1.00 24.43 O ATOM 0 H GLU A 7 3.806 -10.575 7.431 1.00 43.10 H new ATOM 0 HA GLU A 7 3.054 -7.737 7.421 1.00 14.45 H new ATOM 0 HB2 GLU A 7 5.469 -9.279 7.049 1.00 11.34 H new ATOM 0 HB3 GLU A 7 5.157 -8.365 5.587 1.00 11.34 H new ATOM 0 HG2 GLU A 7 4.976 -6.284 6.941 1.00 75.24 H new ATOM 0 HG3 GLU A 7 5.322 -7.206 8.390 1.00 75.24 H new ATOM 92 N VAL A 8 2.375 -7.478 4.991 1.00 34.42 N ATOM 93 CA VAL A 8 1.692 -7.392 3.706 1.00 22.23 C ATOM 94 C VAL A 8 2.294 -6.294 2.836 1.00 23.42 C ATOM 95 O VAL A 8 2.683 -5.237 3.332 1.00 10.55 O ATOM 96 CB VAL A 8 0.187 -7.121 3.887 1.00 23.34 C ATOM 97 CG1 VAL A 8 -0.489 -6.935 2.537 1.00 50.25 C ATOM 98 CG2 VAL A 8 -0.468 -8.251 4.668 1.00 25.23 C ATOM 0 H VAL A 8 2.545 -6.577 5.439 1.00 34.42 H new ATOM 0 HA VAL A 8 1.823 -8.355 3.213 1.00 22.23 H new ATOM 0 HB VAL A 8 0.068 -6.199 4.456 1.00 23.34 H new ATOM 0 HG11 VAL A 8 -1.552 -6.745 2.685 1.00 50.25 H new ATOM 0 HG12 VAL A 8 -0.038 -6.089 2.018 1.00 50.25 H new ATOM 0 HG13 VAL A 8 -0.362 -7.838 1.939 1.00 50.25 H new ATOM 0 HG21 VAL A 8 -1.531 -8.043 4.786 1.00 25.23 H new ATOM 0 HG22 VAL A 8 -0.340 -9.189 4.127 1.00 25.23 H new ATOM 0 HG23 VAL A 8 -0.003 -8.332 5.650 1.00 25.23 H new ATOM 108 N VAL A 9 2.365 -6.553 1.534 1.00 41.25 N ATOM 109 CA VAL A 9 2.918 -5.585 0.593 1.00 4.50 C ATOM 110 C VAL A 9 1.957 -5.331 -0.562 1.00 62.31 C ATOM 111 O VAL A 9 1.303 -6.252 -1.055 1.00 73.15 O ATOM 112 CB VAL A 9 4.269 -6.063 0.026 1.00 11.32 C ATOM 113 CG1 VAL A 9 5.421 -5.349 0.718 1.00 75.51 C ATOM 114 CG2 VAL A 9 4.403 -7.571 0.170 1.00 45.44 C ATOM 0 H VAL A 9 2.047 -7.423 1.107 1.00 41.25 H new ATOM 0 HA VAL A 9 3.071 -4.658 1.145 1.00 4.50 H new ATOM 0 HB VAL A 9 4.305 -5.817 -1.035 1.00 11.32 H new ATOM 0 HG11 VAL A 9 6.367 -5.699 0.305 1.00 75.51 H new ATOM 0 HG12 VAL A 9 5.331 -4.274 0.559 1.00 75.51 H new ATOM 0 HG13 VAL A 9 5.391 -5.561 1.787 1.00 75.51 H new ATOM 0 HG21 VAL A 9 5.363 -7.891 -0.235 1.00 45.44 H new ATOM 0 HG22 VAL A 9 4.346 -7.842 1.224 1.00 45.44 H new ATOM 0 HG23 VAL A 9 3.597 -8.062 -0.375 1.00 45.44 H new ATOM 124 N VAL A 10 1.875 -4.076 -0.992 1.00 31.53 N ATOM 125 CA VAL A 10 0.994 -3.699 -2.091 1.00 21.34 C ATOM 126 C VAL A 10 1.719 -2.812 -3.097 1.00 21.34 C ATOM 127 O VAL A 10 2.550 -1.984 -2.725 1.00 42.11 O ATOM 128 CB VAL A 10 -0.258 -2.961 -1.580 1.00 50.41 C ATOM 129 CG1 VAL A 10 -0.836 -3.668 -0.363 1.00 40.51 C ATOM 130 CG2 VAL A 10 0.074 -1.513 -1.257 1.00 54.54 C ATOM 0 H VAL A 10 2.409 -3.302 -0.596 1.00 31.53 H new ATOM 0 HA VAL A 10 0.687 -4.623 -2.581 1.00 21.34 H new ATOM 0 HB VAL A 10 -1.012 -2.971 -2.368 1.00 50.41 H new ATOM 0 HG11 VAL A 10 -1.720 -3.132 -0.016 1.00 40.51 H new ATOM 0 HG12 VAL A 10 -1.112 -4.688 -0.632 1.00 40.51 H new ATOM 0 HG13 VAL A 10 -0.091 -3.691 0.432 1.00 40.51 H new ATOM 0 HG21 VAL A 10 -0.821 -1.006 -0.897 1.00 54.54 H new ATOM 0 HG22 VAL A 10 0.844 -1.479 -0.486 1.00 54.54 H new ATOM 0 HG23 VAL A 10 0.437 -1.014 -2.155 1.00 54.54 H new ATOM 140 N VAL A 11 1.397 -2.990 -4.374 1.00 2.32 N ATOM 141 CA VAL A 11 2.016 -2.205 -5.436 1.00 15.42 C ATOM 142 C VAL A 11 1.014 -1.242 -6.062 1.00 42.21 C ATOM 143 O VAL A 11 -0.049 -1.652 -6.526 1.00 65.42 O ATOM 144 CB VAL A 11 2.600 -3.111 -6.536 1.00 70.53 C ATOM 145 CG1 VAL A 11 1.524 -4.025 -7.102 1.00 72.40 C ATOM 146 CG2 VAL A 11 3.230 -2.271 -7.637 1.00 41.13 C ATOM 0 H VAL A 11 0.711 -3.671 -4.699 1.00 2.32 H new ATOM 0 HA VAL A 11 2.825 -1.635 -4.979 1.00 15.42 H new ATOM 0 HB VAL A 11 3.378 -3.735 -6.095 1.00 70.53 H new ATOM 0 HG11 VAL A 11 1.955 -4.658 -7.878 1.00 72.40 H new ATOM 0 HG12 VAL A 11 1.122 -4.651 -6.305 1.00 72.40 H new ATOM 0 HG13 VAL A 11 0.722 -3.422 -7.529 1.00 72.40 H new ATOM 0 HG21 VAL A 11 3.638 -2.926 -8.406 1.00 41.13 H new ATOM 0 HG22 VAL A 11 2.473 -1.622 -8.077 1.00 41.13 H new ATOM 0 HG23 VAL A 11 4.031 -1.662 -7.217 1.00 41.13 H new ATOM 156 N ALA A 12 1.361 0.040 -6.072 1.00 71.13 N ATOM 157 CA ALA A 12 0.494 1.062 -6.645 1.00 30.34 C ATOM 158 C ALA A 12 0.357 0.884 -8.153 1.00 53.33 C ATOM 159 O ALA A 12 1.320 0.537 -8.837 1.00 22.50 O ATOM 160 CB ALA A 12 1.026 2.450 -6.321 1.00 12.21 C ATOM 0 H ALA A 12 2.237 0.396 -5.690 1.00 71.13 H new ATOM 0 HA ALA A 12 -0.496 0.953 -6.201 1.00 30.34 H new ATOM 0 HB1 ALA A 12 0.368 3.202 -6.756 1.00 12.21 H new ATOM 0 HB2 ALA A 12 1.064 2.582 -5.240 1.00 12.21 H new ATOM 0 HB3 ALA A 12 2.028 2.561 -6.735 1.00 12.21 H new ATOM 166 N LYS A 13 -0.844 1.126 -8.667 1.00 32.12 N ATOM 167 CA LYS A 13 -1.107 0.994 -10.094 1.00 24.34 C ATOM 168 C LYS A 13 -1.004 2.345 -10.794 1.00 53.44 C ATOM 169 O LYS A 13 -0.499 2.439 -11.914 1.00 14.23 O ATOM 170 CB LYS A 13 -2.497 0.394 -10.325 1.00 2.33 C ATOM 171 CG LYS A 13 -3.000 -0.441 -9.159 1.00 44.24 C ATOM 172 CD LYS A 13 -4.396 -0.977 -9.420 1.00 22.13 C ATOM 173 CE LYS A 13 -4.446 -1.809 -10.694 1.00 34.20 C ATOM 174 NZ LYS A 13 -5.793 -2.401 -10.917 1.00 34.33 N ATOM 0 H LYS A 13 -1.652 1.415 -8.115 1.00 32.12 H new ATOM 0 HA LYS A 13 -0.355 0.327 -10.515 1.00 24.34 H new ATOM 0 HB2 LYS A 13 -3.205 1.201 -10.516 1.00 2.33 H new ATOM 0 HB3 LYS A 13 -2.472 -0.226 -11.221 1.00 2.33 H new ATOM 0 HG2 LYS A 13 -2.317 -1.272 -8.984 1.00 44.24 H new ATOM 0 HG3 LYS A 13 -3.005 0.164 -8.252 1.00 44.24 H new ATOM 0 HD2 LYS A 13 -4.717 -1.585 -8.574 1.00 22.13 H new ATOM 0 HD3 LYS A 13 -5.097 -0.146 -9.499 1.00 22.13 H new ATOM 0 HE2 LYS A 13 -4.178 -1.185 -11.546 1.00 34.20 H new ATOM 0 HE3 LYS A 13 -3.704 -2.606 -10.637 1.00 34.20 H new ATOM 0 HZ1 LYS A 13 -5.786 -2.960 -11.794 1.00 34.33 H new ATOM 0 HZ2 LYS A 13 -6.038 -3.017 -10.116 1.00 34.33 H new ATOM 0 HZ3 LYS A 13 -6.498 -1.640 -10.997 1.00 34.33 H new ATOM 188 N PHE A 14 -1.483 3.390 -10.128 1.00 30.41 N ATOM 189 CA PHE A 14 -1.444 4.737 -10.685 1.00 44.15 C ATOM 190 C PHE A 14 -0.683 5.685 -9.764 1.00 51.01 C ATOM 191 O PHE A 14 -0.306 5.317 -8.651 1.00 51.31 O ATOM 192 CB PHE A 14 -2.863 5.259 -10.915 1.00 4.02 C ATOM 193 CG PHE A 14 -3.733 4.310 -11.689 1.00 32.45 C ATOM 194 CD1 PHE A 14 -4.439 3.310 -11.039 1.00 15.14 C ATOM 195 CD2 PHE A 14 -3.846 4.418 -13.065 1.00 1.23 C ATOM 196 CE1 PHE A 14 -5.240 2.436 -11.748 1.00 25.54 C ATOM 197 CE2 PHE A 14 -4.645 3.545 -13.780 1.00 72.53 C ATOM 198 CZ PHE A 14 -5.344 2.554 -13.120 1.00 2.33 C ATOM 0 H PHE A 14 -1.903 3.330 -9.201 1.00 30.41 H new ATOM 0 HA PHE A 14 -0.923 4.692 -11.641 1.00 44.15 H new ATOM 0 HB2 PHE A 14 -3.328 5.461 -9.950 1.00 4.02 H new ATOM 0 HB3 PHE A 14 -2.810 6.208 -11.448 1.00 4.02 H new ATOM 0 HD1 PHE A 14 -4.362 3.213 -9.966 1.00 15.14 H new ATOM 0 HD2 PHE A 14 -3.304 5.193 -13.586 1.00 1.23 H new ATOM 0 HE1 PHE A 14 -5.785 1.661 -11.230 1.00 25.54 H new ATOM 0 HE2 PHE A 14 -4.722 3.638 -14.853 1.00 72.53 H new ATOM 0 HZ PHE A 14 -5.971 1.872 -13.676 1.00 2.33 H new ATOM 208 N ASP A 15 -0.463 6.908 -10.235 1.00 3.54 N ATOM 209 CA ASP A 15 0.252 7.911 -9.453 1.00 4.11 C ATOM 210 C ASP A 15 -0.716 8.730 -8.606 1.00 11.45 C ATOM 211 O ASP A 15 -1.753 9.183 -9.091 1.00 40.11 O ATOM 212 CB ASP A 15 1.049 8.834 -10.376 1.00 62.05 C ATOM 213 CG ASP A 15 0.325 10.136 -10.658 1.00 33.42 C ATOM 214 OD1 ASP A 15 -0.440 10.189 -11.643 1.00 43.31 O ATOM 215 OD2 ASP A 15 0.523 11.102 -9.891 1.00 63.54 O ATOM 0 H ASP A 15 -0.769 7.229 -11.154 1.00 3.54 H new ATOM 0 HA ASP A 15 0.942 7.393 -8.786 1.00 4.11 H new ATOM 0 HB2 ASP A 15 2.016 9.050 -9.922 1.00 62.05 H new ATOM 0 HB3 ASP A 15 1.246 8.320 -11.317 1.00 62.05 H new ATOM 221 N TYR A 16 -0.372 8.916 -7.336 1.00 44.55 N ATOM 222 CA TYR A 16 -1.212 9.677 -6.419 1.00 42.44 C ATOM 223 C TYR A 16 -0.365 10.580 -5.527 1.00 50.11 C ATOM 224 O TYR A 16 0.775 10.253 -5.196 1.00 41.34 O ATOM 225 CB TYR A 16 -2.050 8.732 -5.559 1.00 55.41 C ATOM 226 CG TYR A 16 -2.573 9.371 -4.292 1.00 33.44 C ATOM 227 CD1 TYR A 16 -3.757 10.098 -4.296 1.00 75.13 C ATOM 228 CD2 TYR A 16 -1.885 9.247 -3.092 1.00 54.40 C ATOM 229 CE1 TYR A 16 -4.238 10.685 -3.141 1.00 34.24 C ATOM 230 CE2 TYR A 16 -2.360 9.828 -1.932 1.00 45.31 C ATOM 231 CZ TYR A 16 -3.537 10.546 -1.962 1.00 13.21 C ATOM 232 OH TYR A 16 -4.013 11.128 -0.809 1.00 11.30 O ATOM 0 H TYR A 16 0.483 8.550 -6.918 1.00 44.55 H new ATOM 0 HA TYR A 16 -1.878 10.304 -7.012 1.00 42.44 H new ATOM 0 HB2 TYR A 16 -2.893 8.369 -6.148 1.00 55.41 H new ATOM 0 HB3 TYR A 16 -1.447 7.863 -5.296 1.00 55.41 H new ATOM 0 HD1 TYR A 16 -4.311 10.206 -5.217 1.00 75.13 H new ATOM 0 HD2 TYR A 16 -0.962 8.686 -3.065 1.00 54.40 H new ATOM 0 HE1 TYR A 16 -5.158 11.250 -3.162 1.00 34.24 H new ATOM 0 HE2 TYR A 16 -1.813 9.720 -1.007 1.00 45.31 H new ATOM 0 HH TYR A 16 -3.445 10.869 -0.053 1.00 11.30 H new ATOM 242 N VAL A 17 -0.931 11.719 -5.140 1.00 22.13 N ATOM 243 CA VAL A 17 -0.231 12.669 -4.285 1.00 31.10 C ATOM 244 C VAL A 17 -0.886 12.757 -2.911 1.00 53.23 C ATOM 245 O VAL A 17 -2.040 13.167 -2.786 1.00 64.14 O ATOM 246 CB VAL A 17 -0.197 14.074 -4.916 1.00 3.13 C ATOM 247 CG1 VAL A 17 0.550 15.046 -4.016 1.00 34.42 C ATOM 248 CG2 VAL A 17 0.437 14.020 -6.298 1.00 64.22 C ATOM 0 H VAL A 17 -1.873 12.006 -5.406 1.00 22.13 H new ATOM 0 HA VAL A 17 0.790 12.304 -4.176 1.00 31.10 H new ATOM 0 HB VAL A 17 -1.221 14.431 -5.024 1.00 3.13 H new ATOM 0 HG11 VAL A 17 0.564 16.033 -4.478 1.00 34.42 H new ATOM 0 HG12 VAL A 17 0.050 15.105 -3.049 1.00 34.42 H new ATOM 0 HG13 VAL A 17 1.573 14.698 -3.874 1.00 34.42 H new ATOM 0 HG21 VAL A 17 0.453 15.021 -6.730 1.00 64.22 H new ATOM 0 HG22 VAL A 17 1.457 13.643 -6.216 1.00 64.22 H new ATOM 0 HG23 VAL A 17 -0.144 13.357 -6.939 1.00 64.22 H new ATOM 258 N ALA A 18 -0.141 12.371 -1.880 1.00 2.10 N ATOM 259 CA ALA A 18 -0.648 12.409 -0.514 1.00 62.13 C ATOM 260 C ALA A 18 -1.088 13.818 -0.131 1.00 1.24 C ATOM 261 O ALA A 18 -0.367 14.534 0.563 1.00 71.42 O ATOM 262 CB ALA A 18 0.409 11.901 0.456 1.00 62.41 C ATOM 0 H ALA A 18 0.816 12.028 -1.965 1.00 2.10 H new ATOM 0 HA ALA A 18 -1.520 11.757 -0.458 1.00 62.13 H new ATOM 0 HB1 ALA A 18 0.017 11.935 1.472 1.00 62.41 H new ATOM 0 HB2 ALA A 18 0.672 10.874 0.203 1.00 62.41 H new ATOM 0 HB3 ALA A 18 1.297 12.530 0.389 1.00 62.41 H new ATOM 268 N GLN A 19 -2.273 14.208 -0.589 1.00 34.44 N ATOM 269 CA GLN A 19 -2.807 15.533 -0.293 1.00 23.43 C ATOM 270 C GLN A 19 -2.481 15.945 1.138 1.00 3.44 C ATOM 271 O GLN A 19 -1.781 16.932 1.365 1.00 73.42 O ATOM 272 CB GLN A 19 -4.321 15.556 -0.510 1.00 22.43 C ATOM 273 CG GLN A 19 -4.769 16.547 -1.572 1.00 3.43 C ATOM 274 CD GLN A 19 -4.802 15.940 -2.960 1.00 63.35 C ATOM 275 OE1 GLN A 19 -5.855 15.520 -3.443 1.00 13.54 O ATOM 276 NE2 GLN A 19 -3.647 15.891 -3.614 1.00 40.53 N ATOM 0 H GLN A 19 -2.881 13.627 -1.166 1.00 34.44 H new ATOM 0 HA GLN A 19 -2.338 16.245 -0.972 1.00 23.43 H new ATOM 0 HB2 GLN A 19 -4.654 14.558 -0.793 1.00 22.43 H new ATOM 0 HB3 GLN A 19 -4.811 15.800 0.433 1.00 22.43 H new ATOM 0 HG2 GLN A 19 -5.761 16.920 -1.319 1.00 3.43 H new ATOM 0 HG3 GLN A 19 -4.096 17.404 -1.570 1.00 3.43 H new ATOM 0 HE21 GLN A 19 -2.798 16.250 -3.177 1.00 40.53 H new ATOM 0 HE22 GLN A 19 -3.609 15.494 -4.553 1.00 40.53 H new ATOM 285 N GLN A 20 -2.991 15.182 2.099 1.00 53.45 N ATOM 286 CA GLN A 20 -2.754 15.470 3.509 1.00 4.30 C ATOM 287 C GLN A 20 -1.335 15.084 3.912 1.00 2.11 C ATOM 288 O GLN A 20 -0.759 14.142 3.368 1.00 61.52 O ATOM 289 CB GLN A 20 -3.765 14.724 4.381 1.00 62.41 C ATOM 290 CG GLN A 20 -4.762 15.638 5.075 1.00 64.35 C ATOM 291 CD GLN A 20 -5.668 14.893 6.035 1.00 14.40 C ATOM 292 OE1 GLN A 20 -5.445 13.718 6.332 1.00 61.15 O ATOM 293 NE2 GLN A 20 -6.696 15.573 6.529 1.00 1.21 N ATOM 0 H GLN A 20 -3.571 14.360 1.928 1.00 53.45 H new ATOM 0 HA GLN A 20 -2.876 16.543 3.660 1.00 4.30 H new ATOM 0 HB2 GLN A 20 -4.309 14.010 3.762 1.00 62.41 H new ATOM 0 HB3 GLN A 20 -3.227 14.148 5.134 1.00 62.41 H new ATOM 0 HG2 GLN A 20 -4.221 16.412 5.619 1.00 64.35 H new ATOM 0 HG3 GLN A 20 -5.371 16.142 4.324 1.00 64.35 H new ATOM 0 HE21 GLN A 20 -6.843 16.545 6.256 1.00 1.21 H new ATOM 0 HE22 GLN A 20 -7.338 15.124 7.182 1.00 1.21 H new ATOM 302 N GLU A 21 -0.775 15.818 4.869 1.00 74.22 N ATOM 303 CA GLU A 21 0.577 15.553 5.343 1.00 0.14 C ATOM 304 C GLU A 21 0.675 14.158 5.955 1.00 73.22 C ATOM 305 O GLU A 21 1.733 13.531 5.929 1.00 54.32 O ATOM 306 CB GLU A 21 0.997 16.604 6.372 1.00 75.43 C ATOM 307 CG GLU A 21 0.127 16.616 7.618 1.00 14.43 C ATOM 308 CD GLU A 21 0.788 17.328 8.784 1.00 45.15 C ATOM 309 OE1 GLU A 21 0.788 16.767 9.899 1.00 45.01 O ATOM 310 OE2 GLU A 21 1.304 18.447 8.581 1.00 64.20 O ATOM 0 H GLU A 21 -1.238 16.601 5.331 1.00 74.22 H new ATOM 0 HA GLU A 21 1.251 15.604 4.488 1.00 0.14 H new ATOM 0 HB2 GLU A 21 2.032 16.423 6.663 1.00 75.43 H new ATOM 0 HB3 GLU A 21 0.965 17.589 5.907 1.00 75.43 H new ATOM 0 HG2 GLU A 21 -0.821 17.103 7.390 1.00 14.43 H new ATOM 0 HG3 GLU A 21 -0.103 15.590 7.906 1.00 14.43 H new ATOM 318 N GLN A 22 -0.437 13.681 6.506 1.00 53.13 N ATOM 319 CA GLN A 22 -0.476 12.362 7.126 1.00 53.23 C ATOM 320 C GLN A 22 -0.389 11.263 6.073 1.00 24.35 C ATOM 321 O GLN A 22 0.236 10.227 6.294 1.00 14.41 O ATOM 322 CB GLN A 22 -1.756 12.199 7.947 1.00 51.22 C ATOM 323 CG GLN A 22 -1.785 10.931 8.785 1.00 12.22 C ATOM 324 CD GLN A 22 -2.746 11.025 9.954 1.00 22.11 C ATOM 325 OE1 GLN A 22 -3.959 10.894 9.786 1.00 34.13 O ATOM 326 NE2 GLN A 22 -2.209 11.253 11.147 1.00 43.14 N ATOM 0 H GLN A 22 -1.322 14.188 6.536 1.00 53.13 H new ATOM 0 HA GLN A 22 0.385 12.274 7.788 1.00 53.23 H new ATOM 0 HB2 GLN A 22 -1.868 13.061 8.604 1.00 51.22 H new ATOM 0 HB3 GLN A 22 -2.612 12.198 7.273 1.00 51.22 H new ATOM 0 HG2 GLN A 22 -2.069 10.089 8.153 1.00 12.22 H new ATOM 0 HG3 GLN A 22 -0.782 10.725 9.160 1.00 12.22 H new ATOM 0 HE21 GLN A 22 -1.198 11.355 11.240 1.00 43.14 H new ATOM 0 HE22 GLN A 22 -2.807 11.326 11.970 1.00 43.14 H new ATOM 335 N GLU A 23 -1.023 11.496 4.928 1.00 72.43 N ATOM 336 CA GLU A 23 -1.018 10.524 3.841 1.00 12.42 C ATOM 337 C GLU A 23 0.391 10.336 3.286 1.00 64.30 C ATOM 338 O GLU A 23 1.292 11.129 3.565 1.00 22.03 O ATOM 339 CB GLU A 23 -1.963 10.970 2.723 1.00 11.20 C ATOM 340 CG GLU A 23 -3.422 11.024 3.144 1.00 55.51 C ATOM 341 CD GLU A 23 -4.224 12.032 2.346 1.00 52.45 C ATOM 342 OE1 GLU A 23 -5.424 12.207 2.644 1.00 5.44 O ATOM 343 OE2 GLU A 23 -3.651 12.648 1.422 1.00 1.33 O ATOM 0 H GLU A 23 -1.546 12.349 4.729 1.00 72.43 H new ATOM 0 HA GLU A 23 -1.364 9.570 4.240 1.00 12.42 H new ATOM 0 HB2 GLU A 23 -1.658 11.956 2.373 1.00 11.20 H new ATOM 0 HB3 GLU A 23 -1.862 10.287 1.880 1.00 11.20 H new ATOM 0 HG2 GLU A 23 -3.867 10.036 3.025 1.00 55.51 H new ATOM 0 HG3 GLU A 23 -3.481 11.275 4.203 1.00 55.51 H new ATOM 351 N LEU A 24 0.574 9.281 2.500 1.00 51.42 N ATOM 352 CA LEU A 24 1.874 8.987 1.905 1.00 23.41 C ATOM 353 C LEU A 24 1.820 9.122 0.387 1.00 40.32 C ATOM 354 O LEU A 24 0.792 8.855 -0.235 1.00 10.10 O ATOM 355 CB LEU A 24 2.323 7.576 2.287 1.00 4.33 C ATOM 356 CG LEU A 24 3.718 7.459 2.903 1.00 74.24 C ATOM 357 CD1 LEU A 24 4.050 6.005 3.203 1.00 73.12 C ATOM 358 CD2 LEU A 24 4.762 8.068 1.978 1.00 33.14 C ATOM 0 H LEU A 24 -0.160 8.615 2.260 1.00 51.42 H new ATOM 0 HA LEU A 24 2.595 9.708 2.290 1.00 23.41 H new ATOM 0 HB2 LEU A 24 1.601 7.165 2.992 1.00 4.33 H new ATOM 0 HB3 LEU A 24 2.288 6.951 1.395 1.00 4.33 H new ATOM 0 HG LEU A 24 3.727 8.012 3.842 1.00 74.24 H new ATOM 0 HD11 LEU A 24 5.046 5.942 3.641 1.00 73.12 H new ATOM 0 HD12 LEU A 24 3.319 5.602 3.904 1.00 73.12 H new ATOM 0 HD13 LEU A 24 4.023 5.427 2.279 1.00 73.12 H new ATOM 0 HD21 LEU A 24 5.749 7.976 2.432 1.00 33.14 H new ATOM 0 HD22 LEU A 24 4.752 7.543 1.023 1.00 33.14 H new ATOM 0 HD23 LEU A 24 4.534 9.122 1.816 1.00 33.14 H new ATOM 370 N ASP A 25 2.935 9.537 -0.204 1.00 52.43 N ATOM 371 CA ASP A 25 3.017 9.706 -1.651 1.00 14.33 C ATOM 372 C ASP A 25 3.322 8.378 -2.336 1.00 2.45 C ATOM 373 O ASP A 25 4.178 7.616 -1.882 1.00 42.22 O ATOM 374 CB ASP A 25 4.091 10.735 -2.006 1.00 55.12 C ATOM 375 CG ASP A 25 5.428 10.423 -1.362 1.00 51.24 C ATOM 376 OD1 ASP A 25 6.052 9.413 -1.751 1.00 53.44 O ATOM 377 OD2 ASP A 25 5.850 11.188 -0.471 1.00 74.33 O ATOM 0 H ASP A 25 3.795 9.763 0.296 1.00 52.43 H new ATOM 0 HA ASP A 25 2.051 10.064 -2.006 1.00 14.33 H new ATOM 0 HB2 ASP A 25 4.212 10.771 -3.089 1.00 55.12 H new ATOM 0 HB3 ASP A 25 3.761 11.724 -1.690 1.00 55.12 H new ATOM 383 N ILE A 26 2.617 8.105 -3.429 1.00 12.44 N ATOM 384 CA ILE A 26 2.813 6.868 -4.176 1.00 54.31 C ATOM 385 C ILE A 26 3.290 7.154 -5.596 1.00 75.41 C ATOM 386 O ILE A 26 3.434 8.311 -5.994 1.00 23.45 O ATOM 387 CB ILE A 26 1.519 6.037 -4.237 1.00 2.02 C ATOM 388 CG1 ILE A 26 0.704 6.413 -5.476 1.00 51.23 C ATOM 389 CG2 ILE A 26 0.696 6.243 -2.974 1.00 11.54 C ATOM 390 CD1 ILE A 26 -0.606 5.664 -5.589 1.00 0.42 C ATOM 0 H ILE A 26 1.905 8.724 -3.817 1.00 12.44 H new ATOM 0 HA ILE A 26 3.576 6.297 -3.648 1.00 54.31 H new ATOM 0 HB ILE A 26 1.786 4.982 -4.306 1.00 2.02 H new ATOM 0 HG12 ILE A 26 0.500 7.484 -5.456 1.00 51.23 H new ATOM 0 HG13 ILE A 26 1.302 6.219 -6.367 1.00 51.23 H new ATOM 0 HG21 ILE A 26 -0.216 5.649 -3.033 1.00 11.54 H new ATOM 0 HG22 ILE A 26 1.277 5.931 -2.106 1.00 11.54 H new ATOM 0 HG23 ILE A 26 0.436 7.297 -2.877 1.00 11.54 H new ATOM 0 HD11 ILE A 26 -1.130 5.981 -6.491 1.00 0.42 H new ATOM 0 HD12 ILE A 26 -0.409 4.593 -5.641 1.00 0.42 H new ATOM 0 HD13 ILE A 26 -1.223 5.877 -4.716 1.00 0.42 H new ATOM 402 N LYS A 27 3.531 6.092 -6.357 1.00 12.31 N ATOM 403 CA LYS A 27 3.989 6.227 -7.735 1.00 63.32 C ATOM 404 C LYS A 27 3.553 5.028 -8.572 1.00 44.12 C ATOM 405 O LYS A 27 3.584 3.889 -8.106 1.00 21.43 O ATOM 406 CB LYS A 27 5.512 6.366 -7.779 1.00 14.33 C ATOM 407 CG LYS A 27 6.082 6.383 -9.186 1.00 33.15 C ATOM 408 CD LYS A 27 5.538 7.549 -9.994 1.00 10.15 C ATOM 409 CE LYS A 27 6.124 8.872 -9.527 1.00 54.31 C ATOM 410 NZ LYS A 27 7.570 8.989 -9.865 1.00 3.12 N ATOM 0 H LYS A 27 3.417 5.128 -6.043 1.00 12.31 H new ATOM 0 HA LYS A 27 3.537 7.126 -8.155 1.00 63.32 H new ATOM 0 HB2 LYS A 27 5.799 7.285 -7.269 1.00 14.33 H new ATOM 0 HB3 LYS A 27 5.960 5.541 -7.225 1.00 14.33 H new ATOM 0 HG2 LYS A 27 7.169 6.448 -9.138 1.00 33.15 H new ATOM 0 HG3 LYS A 27 5.840 5.447 -9.689 1.00 33.15 H new ATOM 0 HD2 LYS A 27 5.768 7.400 -11.049 1.00 10.15 H new ATOM 0 HD3 LYS A 27 4.452 7.579 -9.905 1.00 10.15 H new ATOM 0 HE2 LYS A 27 5.576 9.694 -9.987 1.00 54.31 H new ATOM 0 HE3 LYS A 27 5.994 8.966 -8.449 1.00 54.31 H new ATOM 0 HZ1 LYS A 27 7.870 9.980 -9.767 1.00 3.12 H new ATOM 0 HZ2 LYS A 27 8.127 8.393 -9.220 1.00 3.12 H new ATOM 0 HZ3 LYS A 27 7.724 8.676 -10.845 1.00 3.12 H new ATOM 424 N LYS A 28 3.150 5.292 -9.810 1.00 0.11 N ATOM 425 CA LYS A 28 2.711 4.235 -10.714 1.00 71.32 C ATOM 426 C LYS A 28 3.739 3.110 -10.776 1.00 34.43 C ATOM 427 O LYS A 28 4.871 3.315 -11.212 1.00 24.12 O ATOM 428 CB LYS A 28 2.473 4.801 -12.116 1.00 41.41 C ATOM 429 CG LYS A 28 2.305 3.733 -13.182 1.00 4.42 C ATOM 430 CD LYS A 28 1.617 4.282 -14.419 1.00 64.23 C ATOM 431 CE LYS A 28 1.989 3.491 -15.664 1.00 13.14 C ATOM 432 NZ LYS A 28 0.843 2.688 -16.174 1.00 10.12 N ATOM 0 H LYS A 28 3.118 6.229 -10.211 1.00 0.11 H new ATOM 0 HA LYS A 28 1.776 3.828 -10.330 1.00 71.32 H new ATOM 0 HB2 LYS A 28 1.582 5.429 -12.099 1.00 41.41 H new ATOM 0 HB3 LYS A 28 3.311 5.444 -12.386 1.00 41.41 H new ATOM 0 HG2 LYS A 28 3.282 3.334 -13.455 1.00 4.42 H new ATOM 0 HG3 LYS A 28 1.723 2.904 -12.779 1.00 4.42 H new ATOM 0 HD2 LYS A 28 0.537 4.253 -14.278 1.00 64.23 H new ATOM 0 HD3 LYS A 28 1.893 5.328 -14.556 1.00 64.23 H new ATOM 0 HE2 LYS A 28 2.327 4.176 -16.442 1.00 13.14 H new ATOM 0 HE3 LYS A 28 2.824 2.828 -15.437 1.00 13.14 H new ATOM 0 HZ1 LYS A 28 1.137 2.164 -17.023 1.00 10.12 H new ATOM 0 HZ2 LYS A 28 0.536 2.017 -15.441 1.00 10.12 H new ATOM 0 HZ3 LYS A 28 0.055 3.322 -16.415 1.00 10.12 H new ATOM 446 N ASN A 29 3.337 1.922 -10.336 1.00 23.02 N ATOM 447 CA ASN A 29 4.223 0.764 -10.343 1.00 50.41 C ATOM 448 C ASN A 29 5.255 0.862 -9.223 1.00 70.32 C ATOM 449 O ASN A 29 6.428 0.543 -9.417 1.00 35.13 O ATOM 450 CB ASN A 29 4.931 0.646 -11.695 1.00 11.55 C ATOM 451 CG ASN A 29 4.720 -0.711 -12.341 1.00 12.43 C ATOM 452 OD1 ASN A 29 5.171 -1.733 -11.823 1.00 23.22 O ATOM 453 ND2 ASN A 29 4.033 -0.724 -13.476 1.00 11.41 N ATOM 0 H ASN A 29 2.403 1.736 -9.970 1.00 23.02 H new ATOM 0 HA ASN A 29 3.617 -0.127 -10.178 1.00 50.41 H new ATOM 0 HB2 ASN A 29 4.564 1.425 -12.364 1.00 11.55 H new ATOM 0 HB3 ASN A 29 5.999 0.819 -11.560 1.00 11.55 H new ATOM 0 HD21 ASN A 29 3.859 -1.607 -13.957 1.00 11.41 H new ATOM 0 HD22 ASN A 29 3.679 0.149 -13.868 1.00 11.41 H new ATOM 460 N GLU A 30 4.809 1.306 -8.052 1.00 43.10 N ATOM 461 CA GLU A 30 5.693 1.447 -6.902 1.00 42.50 C ATOM 462 C GLU A 30 5.238 0.552 -5.753 1.00 11.22 C ATOM 463 O GLU A 30 4.147 0.727 -5.210 1.00 55.33 O ATOM 464 CB GLU A 30 5.739 2.905 -6.440 1.00 63.41 C ATOM 465 CG GLU A 30 6.873 3.202 -5.473 1.00 64.22 C ATOM 466 CD GLU A 30 7.920 4.123 -6.068 1.00 73.42 C ATOM 467 OE1 GLU A 30 8.070 5.255 -5.560 1.00 43.22 O ATOM 468 OE2 GLU A 30 8.588 3.714 -7.039 1.00 43.31 O ATOM 0 H GLU A 30 3.841 1.574 -7.875 1.00 43.10 H new ATOM 0 HA GLU A 30 6.693 1.139 -7.206 1.00 42.50 H new ATOM 0 HB2 GLU A 30 5.838 3.551 -7.312 1.00 63.41 H new ATOM 0 HB3 GLU A 30 4.791 3.156 -5.964 1.00 63.41 H new ATOM 0 HG2 GLU A 30 6.466 3.656 -4.570 1.00 64.22 H new ATOM 0 HG3 GLU A 30 7.345 2.266 -5.174 1.00 64.22 H new ATOM 476 N ARG A 31 6.082 -0.409 -5.389 1.00 72.21 N ATOM 477 CA ARG A 31 5.766 -1.333 -4.306 1.00 34.51 C ATOM 478 C ARG A 31 5.758 -0.612 -2.961 1.00 53.54 C ATOM 479 O ARG A 31 6.534 0.319 -2.739 1.00 40.30 O ATOM 480 CB ARG A 31 6.776 -2.481 -4.276 1.00 13.03 C ATOM 481 CG ARG A 31 6.406 -3.642 -5.182 1.00 24.43 C ATOM 482 CD ARG A 31 6.314 -3.207 -6.636 1.00 23.55 C ATOM 483 NE ARG A 31 7.209 -3.976 -7.495 1.00 45.42 N ATOM 484 CZ ARG A 31 8.494 -3.683 -7.667 1.00 75.30 C ATOM 485 NH1 ARG A 31 9.029 -2.644 -7.041 1.00 74.24 N ATOM 486 NH2 ARG A 31 9.246 -4.429 -8.465 1.00 24.34 N ATOM 0 H ARG A 31 6.989 -0.568 -5.828 1.00 72.21 H new ATOM 0 HA ARG A 31 4.771 -1.739 -4.487 1.00 34.51 H new ATOM 0 HB2 ARG A 31 7.754 -2.100 -4.569 1.00 13.03 H new ATOM 0 HB3 ARG A 31 6.869 -2.845 -3.253 1.00 13.03 H new ATOM 0 HG2 ARG A 31 7.150 -4.433 -5.084 1.00 24.43 H new ATOM 0 HG3 ARG A 31 5.451 -4.062 -4.866 1.00 24.43 H new ATOM 0 HD2 ARG A 31 5.288 -3.324 -6.985 1.00 23.55 H new ATOM 0 HD3 ARG A 31 6.559 -2.148 -6.714 1.00 23.55 H new ATOM 0 HE ARG A 31 6.828 -4.782 -7.990 1.00 45.42 H new ATOM 0 HH11 ARG A 31 8.454 -2.068 -6.426 1.00 74.24 H new ATOM 0 HH12 ARG A 31 10.015 -2.421 -7.174 1.00 74.24 H new ATOM 0 HH21 ARG A 31 8.838 -5.229 -8.948 1.00 24.34 H new ATOM 0 HH22 ARG A 31 10.232 -4.202 -8.595 1.00 24.34 H new ATOM 500 N LEU A 32 4.877 -1.048 -2.067 1.00 53.23 N ATOM 501 CA LEU A 32 4.768 -0.443 -0.744 1.00 2.13 C ATOM 502 C LEU A 32 4.459 -1.500 0.312 1.00 13.13 C ATOM 503 O LEU A 32 3.976 -2.586 -0.005 1.00 11.04 O ATOM 504 CB LEU A 32 3.680 0.631 -0.740 1.00 42.14 C ATOM 505 CG LEU A 32 4.051 1.964 -1.392 1.00 34.05 C ATOM 506 CD1 LEU A 32 2.800 2.707 -1.837 1.00 1.43 C ATOM 507 CD2 LEU A 32 4.867 2.818 -0.433 1.00 13.41 C ATOM 0 H LEU A 32 4.228 -1.817 -2.234 1.00 53.23 H new ATOM 0 HA LEU A 32 5.725 0.019 -0.502 1.00 2.13 H new ATOM 0 HB2 LEU A 32 2.802 0.232 -1.248 1.00 42.14 H new ATOM 0 HB3 LEU A 32 3.390 0.823 0.293 1.00 42.14 H new ATOM 0 HG LEU A 32 4.660 1.759 -2.272 1.00 34.05 H new ATOM 0 HD11 LEU A 32 3.083 3.653 -2.299 1.00 1.43 H new ATOM 0 HD12 LEU A 32 2.254 2.100 -2.559 1.00 1.43 H new ATOM 0 HD13 LEU A 32 2.165 2.901 -0.972 1.00 1.43 H new ATOM 0 HD21 LEU A 32 5.122 3.762 -0.914 1.00 13.41 H new ATOM 0 HD22 LEU A 32 4.283 3.015 0.466 1.00 13.41 H new ATOM 0 HD23 LEU A 32 5.781 2.290 -0.163 1.00 13.41 H new ATOM 519 N TRP A 33 4.738 -1.172 1.569 1.00 71.43 N ATOM 520 CA TRP A 33 4.488 -2.092 2.672 1.00 31.42 C ATOM 521 C TRP A 33 3.202 -1.726 3.405 1.00 34.40 C ATOM 522 O TRP A 33 3.086 -0.638 3.972 1.00 55.52 O ATOM 523 CB TRP A 33 5.666 -2.083 3.648 1.00 74.42 C ATOM 524 CG TRP A 33 6.943 -2.581 3.043 1.00 64.33 C ATOM 525 CD1 TRP A 33 7.358 -3.879 2.956 1.00 22.42 C ATOM 526 CD2 TRP A 33 7.972 -1.788 2.440 1.00 73.24 C ATOM 527 NE1 TRP A 33 8.582 -3.941 2.336 1.00 53.20 N ATOM 528 CE2 TRP A 33 8.980 -2.671 2.008 1.00 15.53 C ATOM 529 CE3 TRP A 33 8.137 -0.418 2.221 1.00 50.24 C ATOM 530 CZ2 TRP A 33 10.137 -2.227 1.374 1.00 22.23 C ATOM 531 CZ3 TRP A 33 9.286 0.021 1.591 1.00 40.21 C ATOM 532 CH2 TRP A 33 10.273 -0.881 1.172 1.00 51.20 C ATOM 0 H TRP A 33 5.137 -0.276 1.849 1.00 71.43 H new ATOM 0 HA TRP A 33 4.376 -3.094 2.258 1.00 31.42 H new ATOM 0 HB2 TRP A 33 5.818 -1.067 4.014 1.00 74.42 H new ATOM 0 HB3 TRP A 33 5.417 -2.699 4.512 1.00 74.42 H new ATOM 0 HD1 TRP A 33 6.805 -4.732 3.321 1.00 22.42 H new ATOM 0 HE1 TRP A 33 9.109 -4.794 2.150 1.00 53.20 H new ATOM 0 HE3 TRP A 33 7.381 0.285 2.538 1.00 50.24 H new ATOM 0 HZ2 TRP A 33 10.900 -2.921 1.053 1.00 22.23 H new ATOM 0 HZ3 TRP A 33 9.426 1.078 1.419 1.00 40.21 H new ATOM 0 HH2 TRP A 33 11.158 -0.506 0.680 1.00 51.20 H new ATOM 543 N LEU A 34 2.237 -2.639 3.391 1.00 41.01 N ATOM 544 CA LEU A 34 0.959 -2.411 4.055 1.00 60.43 C ATOM 545 C LEU A 34 1.076 -2.644 5.558 1.00 13.13 C ATOM 546 O LEU A 34 1.630 -3.652 6.000 1.00 23.42 O ATOM 547 CB LEU A 34 -0.115 -3.330 3.468 1.00 45.30 C ATOM 548 CG LEU A 34 -1.543 -3.095 3.961 1.00 0.12 C ATOM 549 CD1 LEU A 34 -2.069 -1.760 3.457 1.00 54.44 C ATOM 550 CD2 LEU A 34 -2.454 -4.230 3.517 1.00 44.20 C ATOM 0 H LEU A 34 2.316 -3.544 2.927 1.00 41.01 H new ATOM 0 HA LEU A 34 0.672 -1.373 3.888 1.00 60.43 H new ATOM 0 HB2 LEU A 34 -0.104 -3.222 2.383 1.00 45.30 H new ATOM 0 HB3 LEU A 34 0.159 -4.362 3.688 1.00 45.30 H new ATOM 0 HG LEU A 34 -1.531 -3.070 5.051 1.00 0.12 H new ATOM 0 HD11 LEU A 34 -3.087 -1.610 3.818 1.00 54.44 H new ATOM 0 HD12 LEU A 34 -1.432 -0.956 3.824 1.00 54.44 H new ATOM 0 HD13 LEU A 34 -2.066 -1.756 2.367 1.00 54.44 H new ATOM 0 HD21 LEU A 34 -3.466 -4.046 3.877 1.00 44.20 H new ATOM 0 HD22 LEU A 34 -2.460 -4.287 2.428 1.00 44.20 H new ATOM 0 HD23 LEU A 34 -2.089 -5.171 3.927 1.00 44.20 H new ATOM 562 N LEU A 35 0.551 -1.707 6.340 1.00 63.34 N ATOM 563 CA LEU A 35 0.594 -1.811 7.794 1.00 52.22 C ATOM 564 C LEU A 35 -0.808 -1.965 8.372 1.00 65.22 C ATOM 565 O LEU A 35 -1.122 -2.973 9.005 1.00 62.34 O ATOM 566 CB LEU A 35 1.272 -0.576 8.393 1.00 3.23 C ATOM 567 CG LEU A 35 2.706 -0.308 7.933 1.00 24.43 C ATOM 568 CD1 LEU A 35 3.127 1.106 8.299 1.00 44.31 C ATOM 569 CD2 LEU A 35 3.660 -1.325 8.542 1.00 1.14 C ATOM 0 H LEU A 35 0.090 -0.866 5.991 1.00 63.34 H new ATOM 0 HA LEU A 35 1.172 -2.698 8.053 1.00 52.22 H new ATOM 0 HB2 LEU A 35 0.666 0.298 8.155 1.00 3.23 H new ATOM 0 HB3 LEU A 35 1.273 -0.677 9.478 1.00 3.23 H new ATOM 0 HG LEU A 35 2.745 -0.408 6.848 1.00 24.43 H new ATOM 0 HD11 LEU A 35 4.150 1.279 7.964 1.00 44.31 H new ATOM 0 HD12 LEU A 35 2.461 1.821 7.815 1.00 44.31 H new ATOM 0 HD13 LEU A 35 3.073 1.233 9.380 1.00 44.31 H new ATOM 0 HD21 LEU A 35 4.676 -1.119 8.204 1.00 1.14 H new ATOM 0 HD22 LEU A 35 3.619 -1.257 9.629 1.00 1.14 H new ATOM 0 HD23 LEU A 35 3.370 -2.328 8.230 1.00 1.14 H new ATOM 581 N ASP A 36 -1.648 -0.961 8.147 1.00 21.43 N ATOM 582 CA ASP A 36 -3.020 -0.986 8.642 1.00 21.30 C ATOM 583 C ASP A 36 -4.015 -0.857 7.493 1.00 11.04 C ATOM 584 O ASP A 36 -4.119 0.197 6.864 1.00 4.13 O ATOM 585 CB ASP A 36 -3.241 0.140 9.654 1.00 24.21 C ATOM 586 CG ASP A 36 -3.543 -0.383 11.045 1.00 61.45 C ATOM 587 OD1 ASP A 36 -2.893 0.077 12.006 1.00 41.14 O ATOM 588 OD2 ASP A 36 -4.431 -1.252 11.172 1.00 61.52 O ATOM 0 H ASP A 36 -1.403 -0.119 7.625 1.00 21.43 H new ATOM 0 HA ASP A 36 -3.184 -1.944 9.135 1.00 21.30 H new ATOM 0 HB2 ASP A 36 -2.353 0.771 9.691 1.00 24.21 H new ATOM 0 HB3 ASP A 36 -4.065 0.769 9.319 1.00 24.21 H new ATOM 594 N ASP A 37 -4.744 -1.934 7.224 1.00 33.15 N ATOM 595 CA ASP A 37 -5.731 -1.942 6.151 1.00 72.23 C ATOM 596 C ASP A 37 -7.132 -2.188 6.703 1.00 4.22 C ATOM 597 O ASP A 37 -7.947 -2.864 6.074 1.00 61.23 O ATOM 598 CB ASP A 37 -5.382 -3.010 5.115 1.00 4.32 C ATOM 599 CG ASP A 37 -5.088 -4.357 5.748 1.00 33.42 C ATOM 600 OD1 ASP A 37 -5.875 -5.301 5.526 1.00 2.41 O ATOM 601 OD2 ASP A 37 -4.072 -4.466 6.466 1.00 72.21 O ATOM 0 H ASP A 37 -4.670 -2.814 7.735 1.00 33.15 H new ATOM 0 HA ASP A 37 -5.716 -0.964 5.670 1.00 72.23 H new ATOM 0 HB2 ASP A 37 -6.209 -3.115 4.413 1.00 4.32 H new ATOM 0 HB3 ASP A 37 -4.515 -2.685 4.540 1.00 4.32 H new ATOM 607 N SER A 38 -7.404 -1.638 7.882 1.00 44.20 N ATOM 608 CA SER A 38 -8.705 -1.803 8.520 1.00 32.11 C ATOM 609 C SER A 38 -9.582 -0.577 8.290 1.00 34.31 C ATOM 610 O SER A 38 -10.764 -0.695 7.966 1.00 4.35 O ATOM 611 CB SER A 38 -8.532 -2.047 10.021 1.00 31.24 C ATOM 612 OG SER A 38 -9.256 -3.192 10.438 1.00 52.32 O ATOM 0 H SER A 38 -6.741 -1.075 8.415 1.00 44.20 H new ATOM 0 HA SER A 38 -9.195 -2.667 8.072 1.00 32.11 H new ATOM 0 HB2 SER A 38 -7.475 -2.177 10.252 1.00 31.24 H new ATOM 0 HB3 SER A 38 -8.875 -1.174 10.576 1.00 31.24 H new ATOM 0 HG SER A 38 -9.128 -3.328 11.400 1.00 52.32 H new ATOM 618 N LYS A 39 -8.995 0.604 8.462 1.00 24.43 N ATOM 619 CA LYS A 39 -9.721 1.854 8.272 1.00 33.15 C ATOM 620 C LYS A 39 -9.963 2.124 6.791 1.00 5.22 C ATOM 621 O LYS A 39 -9.193 1.683 5.936 1.00 11.05 O ATOM 622 CB LYS A 39 -8.944 3.017 8.893 1.00 70.32 C ATOM 623 CG LYS A 39 -9.402 3.374 10.297 1.00 23.13 C ATOM 624 CD LYS A 39 -10.653 4.235 10.273 1.00 71.02 C ATOM 625 CE LYS A 39 -11.053 4.675 11.673 1.00 31.35 C ATOM 626 NZ LYS A 39 -11.876 5.916 11.651 1.00 34.03 N ATOM 0 H LYS A 39 -8.019 0.721 8.733 1.00 24.43 H new ATOM 0 HA LYS A 39 -10.687 1.763 8.768 1.00 33.15 H new ATOM 0 HB2 LYS A 39 -7.885 2.762 8.919 1.00 70.32 H new ATOM 0 HB3 LYS A 39 -9.045 3.893 8.253 1.00 70.32 H new ATOM 0 HG2 LYS A 39 -9.598 2.461 10.860 1.00 23.13 H new ATOM 0 HG3 LYS A 39 -8.604 3.904 10.817 1.00 23.13 H new ATOM 0 HD2 LYS A 39 -10.480 5.113 9.650 1.00 71.02 H new ATOM 0 HD3 LYS A 39 -11.471 3.677 9.818 1.00 71.02 H new ATOM 0 HE2 LYS A 39 -11.614 3.876 12.158 1.00 31.35 H new ATOM 0 HE3 LYS A 39 -10.157 4.844 12.270 1.00 31.35 H new ATOM 0 HZ1 LYS A 39 -12.128 6.183 12.624 1.00 34.03 H new ATOM 0 HZ2 LYS A 39 -11.332 6.685 11.211 1.00 34.03 H new ATOM 0 HZ3 LYS A 39 -12.743 5.748 11.103 1.00 34.03 H new ATOM 640 N SER A 40 -11.034 2.852 6.493 1.00 3.14 N ATOM 641 CA SER A 40 -11.378 3.177 5.114 1.00 60.43 C ATOM 642 C SER A 40 -10.121 3.383 4.275 1.00 42.33 C ATOM 643 O SER A 40 -10.015 2.871 3.161 1.00 64.13 O ATOM 644 CB SER A 40 -12.248 4.435 5.067 1.00 54.15 C ATOM 645 OG SER A 40 -13.381 4.305 5.907 1.00 4.22 O ATOM 0 H SER A 40 -11.679 3.228 7.188 1.00 3.14 H new ATOM 0 HA SER A 40 -11.938 2.340 4.698 1.00 60.43 H new ATOM 0 HB2 SER A 40 -11.660 5.299 5.376 1.00 54.15 H new ATOM 0 HB3 SER A 40 -12.571 4.619 4.042 1.00 54.15 H new ATOM 0 HG SER A 40 -13.919 5.123 5.860 1.00 4.22 H new ATOM 651 N TRP A 41 -9.171 4.135 4.818 1.00 74.32 N ATOM 652 CA TRP A 41 -7.920 4.409 4.121 1.00 44.35 C ATOM 653 C TRP A 41 -6.869 3.357 4.455 1.00 52.55 C ATOM 654 O TRP A 41 -6.594 3.091 5.625 1.00 11.10 O ATOM 655 CB TRP A 41 -7.401 5.801 4.486 1.00 73.52 C ATOM 656 CG TRP A 41 -8.183 6.912 3.853 1.00 32.55 C ATOM 657 CD1 TRP A 41 -9.487 7.240 4.097 1.00 35.10 C ATOM 658 CD2 TRP A 41 -7.713 7.839 2.868 1.00 11.23 C ATOM 659 NE1 TRP A 41 -9.854 8.315 3.325 1.00 42.33 N ATOM 660 CE2 TRP A 41 -8.783 8.701 2.562 1.00 35.25 C ATOM 661 CE3 TRP A 41 -6.490 8.025 2.218 1.00 41.13 C ATOM 662 CZ2 TRP A 41 -8.667 9.732 1.634 1.00 44.34 C ATOM 663 CZ3 TRP A 41 -6.376 9.048 1.296 1.00 3.22 C ATOM 664 CH2 TRP A 41 -7.458 9.891 1.011 1.00 13.43 C ATOM 0 H TRP A 41 -9.243 4.566 5.740 1.00 74.32 H new ATOM 0 HA TRP A 41 -8.116 4.373 3.049 1.00 44.35 H new ATOM 0 HB2 TRP A 41 -7.428 5.919 5.569 1.00 73.52 H new ATOM 0 HB3 TRP A 41 -6.357 5.883 4.183 1.00 73.52 H new ATOM 0 HD1 TRP A 41 -10.134 6.729 4.795 1.00 35.10 H new ATOM 0 HE1 TRP A 41 -10.774 8.755 3.320 1.00 42.33 H new ATOM 0 HE3 TRP A 41 -5.650 7.381 2.432 1.00 41.13 H new ATOM 0 HZ2 TRP A 41 -9.500 10.383 1.413 1.00 44.34 H new ATOM 0 HZ3 TRP A 41 -5.436 9.200 0.786 1.00 3.22 H new ATOM 0 HH2 TRP A 41 -7.336 10.682 0.286 1.00 13.43 H new ATOM 675 N TRP A 42 -6.283 2.763 3.422 1.00 12.41 N ATOM 676 CA TRP A 42 -5.260 1.740 3.608 1.00 24.15 C ATOM 677 C TRP A 42 -3.905 2.372 3.905 1.00 73.42 C ATOM 678 O TRP A 42 -3.311 3.023 3.046 1.00 22.21 O ATOM 679 CB TRP A 42 -5.162 0.856 2.364 1.00 64.21 C ATOM 680 CG TRP A 42 -6.124 -0.294 2.376 1.00 44.44 C ATOM 681 CD1 TRP A 42 -7.295 -0.376 3.071 1.00 63.30 C ATOM 682 CD2 TRP A 42 -5.993 -1.528 1.660 1.00 40.52 C ATOM 683 NE1 TRP A 42 -7.902 -1.585 2.831 1.00 24.22 N ATOM 684 CE2 TRP A 42 -7.123 -2.310 1.968 1.00 72.34 C ATOM 685 CE3 TRP A 42 -5.032 -2.046 0.787 1.00 13.35 C ATOM 686 CZ2 TRP A 42 -7.316 -3.581 1.435 1.00 61.12 C ATOM 687 CZ3 TRP A 42 -5.225 -3.309 0.259 1.00 54.01 C ATOM 688 CH2 TRP A 42 -6.359 -4.065 0.584 1.00 60.31 C ATOM 0 H TRP A 42 -6.498 2.972 2.447 1.00 12.41 H new ATOM 0 HA TRP A 42 -5.548 1.125 4.461 1.00 24.15 H new ATOM 0 HB2 TRP A 42 -5.346 1.465 1.479 1.00 64.21 H new ATOM 0 HB3 TRP A 42 -4.146 0.470 2.280 1.00 64.21 H new ATOM 0 HD1 TRP A 42 -7.688 0.396 3.716 1.00 63.30 H new ATOM 0 HE1 TRP A 42 -8.789 -1.893 3.230 1.00 24.22 H new ATOM 0 HE3 TRP A 42 -4.155 -1.470 0.530 1.00 13.35 H new ATOM 0 HZ2 TRP A 42 -8.190 -4.165 1.684 1.00 61.12 H new ATOM 0 HZ3 TRP A 42 -4.489 -3.720 -0.416 1.00 54.01 H new ATOM 0 HH2 TRP A 42 -6.481 -5.049 0.155 1.00 60.31 H new ATOM 699 N ARG A 43 -3.420 2.177 5.128 1.00 25.32 N ATOM 700 CA ARG A 43 -2.136 2.729 5.538 1.00 10.21 C ATOM 701 C ARG A 43 -0.984 1.875 5.014 1.00 34.12 C ATOM 702 O ARG A 43 -0.974 0.655 5.186 1.00 53.11 O ATOM 703 CB ARG A 43 -2.060 2.825 7.063 1.00 20.34 C ATOM 704 CG ARG A 43 -0.680 3.191 7.583 1.00 51.33 C ATOM 705 CD ARG A 43 -0.755 3.832 8.960 1.00 73.42 C ATOM 706 NE ARG A 43 0.563 4.212 9.460 1.00 21.13 N ATOM 707 CZ ARG A 43 0.762 4.800 10.634 1.00 25.35 C ATOM 708 NH1 ARG A 43 -0.267 5.075 11.425 1.00 2.34 N ATOM 709 NH2 ARG A 43 1.992 5.114 11.020 1.00 61.42 N ATOM 0 H ARG A 43 -3.898 1.640 5.852 1.00 25.32 H new ATOM 0 HA ARG A 43 -2.048 3.729 5.113 1.00 10.21 H new ATOM 0 HB2 ARG A 43 -2.778 3.569 7.408 1.00 20.34 H new ATOM 0 HB3 ARG A 43 -2.360 1.870 7.494 1.00 20.34 H new ATOM 0 HG2 ARG A 43 -0.059 2.297 7.630 1.00 51.33 H new ATOM 0 HG3 ARG A 43 -0.198 3.877 6.887 1.00 51.33 H new ATOM 0 HD2 ARG A 43 -1.394 4.714 8.915 1.00 73.42 H new ATOM 0 HD3 ARG A 43 -1.221 3.137 9.658 1.00 73.42 H new ATOM 0 HE ARG A 43 1.375 4.015 8.876 1.00 21.13 H new ATOM 0 HH11 ARG A 43 -1.214 4.835 11.132 1.00 2.34 H new ATOM 0 HH12 ARG A 43 -0.111 5.527 12.326 1.00 2.34 H new ATOM 0 HH21 ARG A 43 2.786 4.904 10.415 1.00 61.42 H new ATOM 0 HH22 ARG A 43 2.144 5.566 11.922 1.00 61.42 H new ATOM 723 N VAL A 44 -0.017 2.524 4.374 1.00 2.32 N ATOM 724 CA VAL A 44 1.139 1.824 3.825 1.00 41.10 C ATOM 725 C VAL A 44 2.438 2.528 4.204 1.00 11.22 C ATOM 726 O VAL A 44 2.421 3.621 4.769 1.00 41.30 O ATOM 727 CB VAL A 44 1.054 1.717 2.292 1.00 45.14 C ATOM 728 CG1 VAL A 44 -0.248 1.052 1.874 1.00 64.34 C ATOM 729 CG2 VAL A 44 1.189 3.091 1.653 1.00 72.13 C ATOM 0 H VAL A 44 -0.011 3.533 4.223 1.00 2.32 H new ATOM 0 HA VAL A 44 1.135 0.821 4.252 1.00 41.10 H new ATOM 0 HB VAL A 44 1.879 1.097 1.943 1.00 45.14 H new ATOM 0 HG11 VAL A 44 -0.290 0.985 0.787 1.00 64.34 H new ATOM 0 HG12 VAL A 44 -0.299 0.050 2.301 1.00 64.34 H new ATOM 0 HG13 VAL A 44 -1.090 1.643 2.234 1.00 64.34 H new ATOM 0 HG21 VAL A 44 1.127 2.996 0.569 1.00 72.13 H new ATOM 0 HG22 VAL A 44 0.386 3.738 2.007 1.00 72.13 H new ATOM 0 HG23 VAL A 44 2.151 3.525 1.924 1.00 72.13 H new ATOM 739 N ARG A 45 3.562 1.893 3.888 1.00 12.35 N ATOM 740 CA ARG A 45 4.871 2.457 4.196 1.00 72.41 C ATOM 741 C ARG A 45 5.715 2.592 2.933 1.00 61.22 C ATOM 742 O ARG A 45 5.537 1.844 1.973 1.00 23.20 O ATOM 743 CB ARG A 45 5.599 1.584 5.219 1.00 32.02 C ATOM 744 CG ARG A 45 6.624 2.341 6.046 1.00 52.12 C ATOM 745 CD ARG A 45 7.613 1.395 6.711 1.00 63.15 C ATOM 746 NE ARG A 45 8.903 1.382 6.026 1.00 33.50 N ATOM 747 CZ ARG A 45 10.011 0.878 6.557 1.00 50.24 C ATOM 748 NH1 ARG A 45 9.988 0.351 7.773 1.00 24.45 N ATOM 749 NH2 ARG A 45 11.148 0.904 5.872 1.00 62.50 N ATOM 0 H ARG A 45 3.593 0.988 3.419 1.00 12.35 H new ATOM 0 HA ARG A 45 4.720 3.450 4.619 1.00 72.41 H new ATOM 0 HB2 ARG A 45 4.865 1.135 5.888 1.00 32.02 H new ATOM 0 HB3 ARG A 45 6.097 0.767 4.697 1.00 32.02 H new ATOM 0 HG2 ARG A 45 7.162 3.042 5.408 1.00 52.12 H new ATOM 0 HG3 ARG A 45 6.114 2.931 6.808 1.00 52.12 H new ATOM 0 HD2 ARG A 45 7.757 1.693 7.750 1.00 63.15 H new ATOM 0 HD3 ARG A 45 7.199 0.387 6.723 1.00 63.15 H new ATOM 0 HE ARG A 45 8.956 1.782 5.089 1.00 33.50 H new ATOM 0 HH11 ARG A 45 9.117 0.332 8.304 1.00 24.45 H new ATOM 0 HH12 ARG A 45 10.841 -0.035 8.178 1.00 24.45 H new ATOM 0 HH21 ARG A 45 11.171 1.311 4.937 1.00 62.50 H new ATOM 0 HH22 ARG A 45 11.999 0.517 6.281 1.00 62.50 H new ATOM 763 N ASN A 46 6.635 3.552 2.942 1.00 2.25 N ATOM 764 CA ASN A 46 7.507 3.784 1.796 1.00 53.10 C ATOM 765 C ASN A 46 8.948 3.403 2.123 1.00 70.13 C ATOM 766 O ASN A 46 9.304 3.224 3.287 1.00 1.43 O ATOM 767 CB ASN A 46 7.440 5.252 1.368 1.00 54.51 C ATOM 768 CG ASN A 46 7.851 5.452 -0.077 1.00 32.41 C ATOM 769 OD1 ASN A 46 8.950 5.072 -0.480 1.00 64.03 O ATOM 770 ND2 ASN A 46 6.967 6.053 -0.866 1.00 20.13 N ATOM 0 H ASN A 46 6.796 4.181 3.729 1.00 2.25 H new ATOM 0 HA ASN A 46 7.162 3.156 0.974 1.00 53.10 H new ATOM 0 HB2 ASN A 46 6.425 5.623 1.509 1.00 54.51 H new ATOM 0 HB3 ASN A 46 8.088 5.846 2.013 1.00 54.51 H new ATOM 0 HD21 ASN A 46 7.188 6.216 -1.848 1.00 20.13 H new ATOM 0 HD22 ASN A 46 6.067 6.352 -0.489 1.00 20.13 H new ATOM 777 N SER A 47 9.771 3.283 1.086 1.00 1.55 N ATOM 778 CA SER A 47 11.173 2.920 1.262 1.00 74.31 C ATOM 779 C SER A 47 11.895 3.947 2.127 1.00 55.41 C ATOM 780 O SER A 47 12.911 3.644 2.753 1.00 45.22 O ATOM 781 CB SER A 47 11.866 2.804 -0.097 1.00 31.22 C ATOM 782 OG SER A 47 12.020 4.077 -0.702 1.00 2.25 O ATOM 0 H SER A 47 9.492 3.432 0.116 1.00 1.55 H new ATOM 0 HA SER A 47 11.212 1.954 1.766 1.00 74.31 H new ATOM 0 HB2 SER A 47 12.843 2.337 0.028 1.00 31.22 H new ATOM 0 HB3 SER A 47 11.284 2.155 -0.751 1.00 31.22 H new ATOM 0 HG SER A 47 11.155 4.537 -0.722 1.00 2.25 H new ATOM 788 N MET A 48 11.364 5.165 2.158 1.00 74.52 N ATOM 789 CA MET A 48 11.958 6.238 2.947 1.00 20.44 C ATOM 790 C MET A 48 11.615 6.078 4.426 1.00 45.11 C ATOM 791 O MET A 48 11.887 6.965 5.234 1.00 1.34 O ATOM 792 CB MET A 48 11.471 7.599 2.444 1.00 2.50 C ATOM 793 CG MET A 48 12.146 8.047 1.158 1.00 25.41 C ATOM 794 SD MET A 48 13.160 9.520 1.381 1.00 74.14 S ATOM 795 CE MET A 48 14.596 8.825 2.193 1.00 3.43 C ATOM 0 H MET A 48 10.524 5.433 1.646 1.00 74.52 H new ATOM 0 HA MET A 48 13.041 6.183 2.834 1.00 20.44 H new ATOM 0 HB2 MET A 48 10.394 7.554 2.283 1.00 2.50 H new ATOM 0 HB3 MET A 48 11.647 8.347 3.217 1.00 2.50 H new ATOM 0 HG2 MET A 48 12.768 7.237 0.778 1.00 25.41 H new ATOM 0 HG3 MET A 48 11.385 8.246 0.403 1.00 25.41 H new ATOM 0 HE1 MET A 48 15.317 9.616 2.397 1.00 3.43 H new ATOM 0 HE2 MET A 48 14.294 8.359 3.131 1.00 3.43 H new ATOM 0 HE3 MET A 48 15.053 8.076 1.546 1.00 3.43 H new ATOM 805 N ASN A 49 11.018 4.943 4.770 1.00 31.22 N ATOM 806 CA ASN A 49 10.638 4.667 6.151 1.00 53.41 C ATOM 807 C ASN A 49 9.400 5.468 6.545 1.00 51.01 C ATOM 808 O ASN A 49 8.857 5.297 7.637 1.00 44.41 O ATOM 809 CB ASN A 49 11.795 4.999 7.096 1.00 11.31 C ATOM 810 CG ASN A 49 11.424 6.058 8.115 1.00 34.51 C ATOM 811 OD1 ASN A 49 10.948 7.201 7.635 1.00 53.30 O flip ATOM 812 ND2 ASN A 49 11.563 5.851 9.321 1.00 73.15 N flip ATOM 0 H ASN A 49 10.786 4.199 4.112 1.00 31.22 H new ATOM 0 HA ASN A 49 10.404 3.606 6.232 1.00 53.41 H new ATOM 0 HB2 ASN A 49 12.108 4.093 7.615 1.00 11.31 H new ATOM 0 HB3 ASN A 49 12.649 5.343 6.513 1.00 11.31 H new ATOM 0 HD21 ASN A 49 11.933 4.958 9.646 1.00 73.15 H new ATOM 0 HD22 ASN A 49 11.308 6.573 9.995 1.00 73.15 H new ATOM 819 N LYS A 50 8.958 6.342 5.648 1.00 42.10 N ATOM 820 CA LYS A 50 7.783 7.169 5.899 1.00 2.40 C ATOM 821 C LYS A 50 6.505 6.339 5.811 1.00 43.22 C ATOM 822 O LYS A 50 6.495 5.255 5.226 1.00 54.31 O ATOM 823 CB LYS A 50 7.723 8.324 4.897 1.00 44.35 C ATOM 824 CG LYS A 50 9.027 9.094 4.778 1.00 53.03 C ATOM 825 CD LYS A 50 9.087 9.894 3.487 1.00 0.35 C ATOM 826 CE LYS A 50 9.761 11.241 3.697 1.00 73.41 C ATOM 827 NZ LYS A 50 8.946 12.360 3.147 1.00 32.24 N ATOM 0 H LYS A 50 9.396 6.496 4.740 1.00 42.10 H new ATOM 0 HA LYS A 50 7.864 7.575 6.907 1.00 2.40 H new ATOM 0 HB2 LYS A 50 7.452 7.930 3.917 1.00 44.35 H new ATOM 0 HB3 LYS A 50 6.931 9.011 5.194 1.00 44.35 H new ATOM 0 HG2 LYS A 50 9.132 9.767 5.629 1.00 53.03 H new ATOM 0 HG3 LYS A 50 9.866 8.399 4.816 1.00 53.03 H new ATOM 0 HD2 LYS A 50 9.631 9.327 2.732 1.00 0.35 H new ATOM 0 HD3 LYS A 50 8.078 10.047 3.105 1.00 0.35 H new ATOM 0 HE2 LYS A 50 9.927 11.402 4.762 1.00 73.41 H new ATOM 0 HE3 LYS A 50 10.740 11.236 3.219 1.00 73.41 H new ATOM 0 HZ1 LYS A 50 9.439 13.261 3.310 1.00 32.24 H new ATOM 0 HZ2 LYS A 50 8.809 12.220 2.126 1.00 32.24 H new ATOM 0 HZ3 LYS A 50 8.021 12.381 3.621 1.00 32.24 H new ATOM 841 N THR A 51 5.429 6.856 6.395 1.00 71.24 N ATOM 842 CA THR A 51 4.146 6.164 6.382 1.00 13.11 C ATOM 843 C THR A 51 2.993 7.146 6.209 1.00 32.41 C ATOM 844 O THR A 51 3.062 8.285 6.667 1.00 70.52 O ATOM 845 CB THR A 51 3.930 5.358 7.677 1.00 31.11 C ATOM 846 OG1 THR A 51 5.192 5.050 8.278 1.00 11.41 O ATOM 847 CG2 THR A 51 3.170 4.072 7.393 1.00 31.34 C ATOM 0 H THR A 51 5.420 7.752 6.883 1.00 71.24 H new ATOM 0 HA THR A 51 4.165 5.478 5.535 1.00 13.11 H new ATOM 0 HB THR A 51 3.340 5.966 8.363 1.00 31.11 H new ATOM 0 HG1 THR A 51 5.046 4.539 9.101 1.00 11.41 H new ATOM 0 HG21 THR A 51 3.029 3.520 8.322 1.00 31.34 H new ATOM 0 HG22 THR A 51 2.198 4.311 6.963 1.00 31.34 H new ATOM 0 HG23 THR A 51 3.737 3.462 6.690 1.00 31.34 H new ATOM 855 N GLY A 52 1.933 6.695 5.546 1.00 60.33 N ATOM 856 CA GLY A 52 0.778 7.547 5.325 1.00 11.11 C ATOM 857 C GLY A 52 -0.428 6.773 4.833 1.00 1.11 C ATOM 858 O GLY A 52 -0.290 5.689 4.265 1.00 71.01 O ATOM 0 H GLY A 52 1.853 5.755 5.158 1.00 60.33 H new ATOM 0 HA2 GLY A 52 0.524 8.057 6.254 1.00 11.11 H new ATOM 0 HA3 GLY A 52 1.033 8.318 4.597 1.00 11.11 H new ATOM 862 N PHE A 53 -1.615 7.329 5.051 1.00 0.31 N ATOM 863 CA PHE A 53 -2.852 6.682 4.627 1.00 20.04 C ATOM 864 C PHE A 53 -3.114 6.928 3.145 1.00 40.45 C ATOM 865 O PHE A 53 -2.973 8.050 2.656 1.00 72.52 O ATOM 866 CB PHE A 53 -4.031 7.194 5.457 1.00 13.10 C ATOM 867 CG PHE A 53 -4.324 6.352 6.665 1.00 4.25 C ATOM 868 CD1 PHE A 53 -4.821 5.066 6.525 1.00 32.41 C ATOM 869 CD2 PHE A 53 -4.103 6.845 7.941 1.00 12.51 C ATOM 870 CE1 PHE A 53 -5.094 4.289 7.635 1.00 2.13 C ATOM 871 CE2 PHE A 53 -4.373 6.072 9.054 1.00 14.13 C ATOM 872 CZ PHE A 53 -4.868 4.792 8.901 1.00 51.02 C ATOM 0 H PHE A 53 -1.747 8.226 5.519 1.00 0.31 H new ATOM 0 HA PHE A 53 -2.744 5.609 4.785 1.00 20.04 H new ATOM 0 HB2 PHE A 53 -3.823 8.215 5.777 1.00 13.10 H new ATOM 0 HB3 PHE A 53 -4.919 7.232 4.827 1.00 13.10 H new ATOM 0 HD1 PHE A 53 -4.997 4.666 5.537 1.00 32.41 H new ATOM 0 HD2 PHE A 53 -3.715 7.845 8.067 1.00 12.51 H new ATOM 0 HE1 PHE A 53 -5.484 3.289 7.512 1.00 2.13 H new ATOM 0 HE2 PHE A 53 -4.197 6.469 10.043 1.00 14.13 H new ATOM 0 HZ PHE A 53 -5.078 4.186 9.770 1.00 51.02 H new ATOM 882 N VAL A 54 -3.495 5.872 2.433 1.00 54.45 N ATOM 883 CA VAL A 54 -3.777 5.973 1.006 1.00 1.12 C ATOM 884 C VAL A 54 -4.943 5.073 0.613 1.00 5.43 C ATOM 885 O VAL A 54 -5.190 4.032 1.222 1.00 3.12 O ATOM 886 CB VAL A 54 -2.544 5.597 0.163 1.00 22.32 C ATOM 887 CG1 VAL A 54 -1.335 6.414 0.589 1.00 31.42 C ATOM 888 CG2 VAL A 54 -2.258 4.107 0.273 1.00 31.01 C ATOM 0 H VAL A 54 -3.615 4.937 2.821 1.00 54.45 H new ATOM 0 HA VAL A 54 -4.040 7.012 0.807 1.00 1.12 H new ATOM 0 HB VAL A 54 -2.756 5.827 -0.881 1.00 22.32 H new ATOM 0 HG11 VAL A 54 -0.474 6.134 -0.018 1.00 31.42 H new ATOM 0 HG12 VAL A 54 -1.546 7.475 0.452 1.00 31.42 H new ATOM 0 HG13 VAL A 54 -1.117 6.220 1.639 1.00 31.42 H new ATOM 0 HG21 VAL A 54 -1.384 3.859 -0.329 1.00 31.01 H new ATOM 0 HG22 VAL A 54 -2.067 3.849 1.315 1.00 31.01 H new ATOM 0 HG23 VAL A 54 -3.119 3.544 -0.088 1.00 31.01 H new ATOM 898 N PRO A 55 -5.679 5.481 -0.432 1.00 51.31 N ATOM 899 CA PRO A 55 -6.831 4.725 -0.932 1.00 60.30 C ATOM 900 C PRO A 55 -6.420 3.420 -1.607 1.00 55.22 C ATOM 901 O PRO A 55 -5.580 3.413 -2.506 1.00 61.32 O ATOM 902 CB PRO A 55 -7.464 5.677 -1.950 1.00 44.23 C ATOM 903 CG PRO A 55 -6.345 6.553 -2.398 1.00 72.10 C ATOM 904 CD PRO A 55 -5.441 6.712 -1.206 1.00 20.52 C ATOM 0 HA PRO A 55 -7.504 4.429 -0.128 1.00 60.30 H new ATOM 0 HB2 PRO A 55 -7.898 5.130 -2.787 1.00 44.23 H new ATOM 0 HB3 PRO A 55 -8.267 6.260 -1.500 1.00 44.23 H new ATOM 0 HG2 PRO A 55 -5.811 6.106 -3.236 1.00 72.10 H new ATOM 0 HG3 PRO A 55 -6.718 7.520 -2.737 1.00 72.10 H new ATOM 0 HD2 PRO A 55 -4.396 6.804 -1.503 1.00 20.52 H new ATOM 0 HD3 PRO A 55 -5.689 7.603 -0.630 1.00 20.52 H new ATOM 912 N SER A 56 -7.018 2.319 -1.165 1.00 11.12 N ATOM 913 CA SER A 56 -6.711 1.007 -1.724 1.00 32.35 C ATOM 914 C SER A 56 -7.018 0.967 -3.218 1.00 75.41 C ATOM 915 O SER A 56 -6.613 0.044 -3.921 1.00 45.11 O ATOM 916 CB SER A 56 -7.510 -0.079 -0.999 1.00 45.42 C ATOM 917 OG SER A 56 -8.886 -0.002 -1.324 1.00 24.34 O ATOM 0 H SER A 56 -7.717 2.309 -0.422 1.00 11.12 H new ATOM 0 HA SER A 56 -5.646 0.820 -1.584 1.00 32.35 H new ATOM 0 HB2 SER A 56 -7.124 -1.061 -1.270 1.00 45.42 H new ATOM 0 HB3 SER A 56 -7.381 0.028 0.078 1.00 45.42 H new ATOM 0 HG SER A 56 -9.374 -0.707 -0.850 1.00 24.34 H new ATOM 923 N ASN A 57 -7.737 1.978 -3.694 1.00 64.53 N ATOM 924 CA ASN A 57 -8.100 2.060 -5.104 1.00 63.03 C ATOM 925 C ASN A 57 -6.868 2.306 -5.970 1.00 21.30 C ATOM 926 O ASN A 57 -6.892 2.083 -7.181 1.00 14.21 O ATOM 927 CB ASN A 57 -9.123 3.176 -5.326 1.00 60.25 C ATOM 928 CG ASN A 57 -10.011 2.918 -6.528 1.00 23.25 C ATOM 929 OD1 ASN A 57 -10.778 1.955 -6.551 1.00 10.21 O ATOM 930 ND2 ASN A 57 -9.909 3.777 -7.535 1.00 74.52 N ATOM 0 H ASN A 57 -8.080 2.752 -3.124 1.00 64.53 H new ATOM 0 HA ASN A 57 -8.543 1.107 -5.394 1.00 63.03 H new ATOM 0 HB2 ASN A 57 -9.743 3.279 -4.435 1.00 60.25 H new ATOM 0 HB3 ASN A 57 -8.600 4.123 -5.461 1.00 60.25 H new ATOM 0 HD21 ASN A 57 -10.480 3.653 -8.371 1.00 74.52 H new ATOM 0 HD22 ASN A 57 -9.260 4.561 -7.473 1.00 74.52 H new ATOM 937 N TYR A 58 -5.792 2.764 -5.341 1.00 13.21 N ATOM 938 CA TYR A 58 -4.550 3.042 -6.052 1.00 5.23 C ATOM 939 C TYR A 58 -3.534 1.926 -5.831 1.00 61.00 C ATOM 940 O TYR A 58 -2.671 1.679 -6.673 1.00 52.24 O ATOM 941 CB TYR A 58 -3.963 4.379 -5.596 1.00 61.30 C ATOM 942 CG TYR A 58 -4.707 5.581 -6.132 1.00 31.33 C ATOM 943 CD1 TYR A 58 -6.045 5.790 -5.823 1.00 11.31 C ATOM 944 CD2 TYR A 58 -4.071 6.509 -6.948 1.00 33.13 C ATOM 945 CE1 TYR A 58 -6.729 6.887 -6.312 1.00 15.54 C ATOM 946 CE2 TYR A 58 -4.746 7.609 -7.440 1.00 43.20 C ATOM 947 CZ TYR A 58 -6.074 7.794 -7.119 1.00 4.11 C ATOM 948 OH TYR A 58 -6.751 8.888 -7.607 1.00 13.23 O ATOM 0 H TYR A 58 -5.755 2.951 -4.339 1.00 13.21 H new ATOM 0 HA TYR A 58 -4.776 3.097 -7.117 1.00 5.23 H new ATOM 0 HB2 TYR A 58 -3.967 4.416 -4.507 1.00 61.30 H new ATOM 0 HB3 TYR A 58 -2.922 4.436 -5.913 1.00 61.30 H new ATOM 0 HD1 TYR A 58 -6.560 5.083 -5.190 1.00 11.31 H new ATOM 0 HD2 TYR A 58 -3.031 6.368 -7.202 1.00 33.13 H new ATOM 0 HE1 TYR A 58 -7.770 7.033 -6.064 1.00 15.54 H new ATOM 0 HE2 TYR A 58 -4.236 8.320 -8.073 1.00 43.20 H new ATOM 0 HH TYR A 58 -6.146 9.428 -8.157 1.00 13.23 H new ATOM 958 N VAL A 59 -3.645 1.252 -4.691 1.00 13.52 N ATOM 959 CA VAL A 59 -2.738 0.160 -4.357 1.00 15.53 C ATOM 960 C VAL A 59 -3.456 -1.183 -4.397 1.00 32.24 C ATOM 961 O VAL A 59 -4.672 -1.243 -4.579 1.00 74.35 O ATOM 962 CB VAL A 59 -2.115 0.354 -2.961 1.00 42.54 C ATOM 963 CG1 VAL A 59 -1.554 1.761 -2.819 1.00 34.43 C ATOM 964 CG2 VAL A 59 -3.140 0.067 -1.875 1.00 52.13 C ATOM 0 H VAL A 59 -4.354 1.443 -3.983 1.00 13.52 H new ATOM 0 HA VAL A 59 -1.946 0.168 -5.105 1.00 15.53 H new ATOM 0 HB VAL A 59 -1.293 -0.353 -2.847 1.00 42.54 H new ATOM 0 HG11 VAL A 59 -1.118 1.880 -1.827 1.00 34.43 H new ATOM 0 HG12 VAL A 59 -0.786 1.925 -3.575 1.00 34.43 H new ATOM 0 HG13 VAL A 59 -2.355 2.487 -2.953 1.00 34.43 H new ATOM 0 HG21 VAL A 59 -2.682 0.209 -0.896 1.00 52.13 H new ATOM 0 HG22 VAL A 59 -3.985 0.747 -1.983 1.00 52.13 H new ATOM 0 HG23 VAL A 59 -3.489 -0.962 -1.967 1.00 52.13 H new ATOM 974 N GLU A 60 -2.697 -2.261 -4.224 1.00 64.20 N ATOM 975 CA GLU A 60 -3.263 -3.605 -4.242 1.00 22.50 C ATOM 976 C GLU A 60 -2.295 -4.610 -3.626 1.00 21.14 C ATOM 977 O GLU A 60 -1.094 -4.574 -3.891 1.00 43.31 O ATOM 978 CB GLU A 60 -3.604 -4.020 -5.674 1.00 63.02 C ATOM 979 CG GLU A 60 -4.871 -4.853 -5.782 1.00 54.23 C ATOM 980 CD GLU A 60 -5.747 -4.433 -6.947 1.00 14.14 C ATOM 981 OE1 GLU A 60 -6.964 -4.249 -6.736 1.00 35.12 O ATOM 982 OE2 GLU A 60 -5.216 -4.289 -8.067 1.00 20.30 O ATOM 0 H GLU A 60 -1.689 -2.230 -4.070 1.00 64.20 H new ATOM 0 HA GLU A 60 -4.177 -3.595 -3.648 1.00 22.50 H new ATOM 0 HB2 GLU A 60 -3.715 -3.125 -6.286 1.00 63.02 H new ATOM 0 HB3 GLU A 60 -2.770 -4.587 -6.087 1.00 63.02 H new ATOM 0 HG2 GLU A 60 -4.602 -5.903 -5.894 1.00 54.23 H new ATOM 0 HG3 GLU A 60 -5.439 -4.766 -4.856 1.00 54.23 H new ATOM 990 N ARG A 61 -2.828 -5.507 -2.801 1.00 41.03 N ATOM 991 CA ARG A 61 -2.012 -6.521 -2.146 1.00 30.34 C ATOM 992 C ARG A 61 -1.241 -7.347 -3.172 1.00 73.51 C ATOM 993 O ARG A 61 -1.742 -7.628 -4.261 1.00 51.31 O ATOM 994 CB ARG A 61 -2.890 -7.439 -1.293 1.00 2.45 C ATOM 995 CG ARG A 61 -3.892 -8.247 -2.101 1.00 74.31 C ATOM 996 CD ARG A 61 -4.755 -9.121 -1.205 1.00 32.31 C ATOM 997 NE ARG A 61 -3.995 -10.217 -0.613 1.00 61.00 N ATOM 998 CZ ARG A 61 -4.557 -11.278 -0.045 1.00 13.54 C ATOM 999 NH1 ARG A 61 -5.877 -11.385 0.008 1.00 11.43 N ATOM 1000 NH2 ARG A 61 -3.796 -12.236 0.473 1.00 61.52 N ATOM 0 H ARG A 61 -3.821 -5.551 -2.571 1.00 41.03 H new ATOM 0 HA ARG A 61 -1.294 -6.013 -1.502 1.00 30.34 H new ATOM 0 HB2 ARG A 61 -2.251 -8.123 -0.734 1.00 2.45 H new ATOM 0 HB3 ARG A 61 -3.428 -6.836 -0.561 1.00 2.45 H new ATOM 0 HG2 ARG A 61 -4.528 -7.572 -2.674 1.00 74.31 H new ATOM 0 HG3 ARG A 61 -3.362 -8.872 -2.819 1.00 74.31 H new ATOM 0 HD2 ARG A 61 -5.188 -8.511 -0.412 1.00 32.31 H new ATOM 0 HD3 ARG A 61 -5.584 -9.527 -1.785 1.00 32.31 H new ATOM 0 HE ARG A 61 -2.977 -10.166 -0.637 1.00 61.00 H new ATOM 0 HH11 ARG A 61 -6.464 -10.651 -0.388 1.00 11.43 H new ATOM 0 HH12 ARG A 61 -6.305 -12.201 0.445 1.00 11.43 H new ATOM 0 HH21 ARG A 61 -2.780 -12.157 0.435 1.00 61.52 H new ATOM 0 HH22 ARG A 61 -4.228 -13.051 0.909 1.00 61.52 H new ATOM 1014 N LYS A 62 -0.020 -7.732 -2.818 1.00 53.23 N ATOM 1015 CA LYS A 62 0.821 -8.526 -3.706 1.00 72.54 C ATOM 1016 C LYS A 62 0.051 -9.720 -4.261 1.00 73.24 C ATOM 1017 O LYS A 62 -0.329 -9.736 -5.431 1.00 1.00 O ATOM 1018 CB LYS A 62 2.068 -9.009 -2.964 1.00 22.20 C ATOM 1019 CG LYS A 62 3.023 -9.808 -3.835 1.00 35.40 C ATOM 1020 CD LYS A 62 3.987 -10.631 -2.997 1.00 61.33 C ATOM 1021 CE LYS A 62 5.362 -10.704 -3.641 1.00 13.32 C ATOM 1022 NZ LYS A 62 6.448 -10.405 -2.666 1.00 4.11 N ATOM 0 H LYS A 62 0.410 -7.507 -1.921 1.00 53.23 H new ATOM 0 HA LYS A 62 1.125 -7.893 -4.540 1.00 72.54 H new ATOM 0 HB2 LYS A 62 2.596 -8.146 -2.558 1.00 22.20 H new ATOM 0 HB3 LYS A 62 1.762 -9.623 -2.117 1.00 22.20 H new ATOM 0 HG2 LYS A 62 2.454 -10.468 -4.490 1.00 35.40 H new ATOM 0 HG3 LYS A 62 3.585 -9.130 -4.477 1.00 35.40 H new ATOM 0 HD2 LYS A 62 4.072 -10.192 -2.003 1.00 61.33 H new ATOM 0 HD3 LYS A 62 3.590 -11.638 -2.868 1.00 61.33 H new ATOM 0 HE2 LYS A 62 5.514 -11.698 -4.060 1.00 13.32 H new ATOM 0 HE3 LYS A 62 5.413 -9.997 -4.469 1.00 13.32 H new ATOM 0 HZ1 LYS A 62 7.370 -10.465 -3.144 1.00 4.11 H new ATOM 0 HZ2 LYS A 62 6.318 -9.446 -2.284 1.00 4.11 H new ATOM 0 HZ3 LYS A 62 6.416 -11.095 -1.888 1.00 4.11 H new ATOM 1036 N ASN A 63 -0.177 -10.717 -3.413 1.00 53.52 N ATOM 1037 CA ASN A 63 -0.903 -11.915 -3.818 1.00 11.54 C ATOM 1038 C ASN A 63 -0.353 -12.466 -5.131 1.00 12.14 C ATOM 1039 O ASN A 63 -1.065 -12.541 -6.131 1.00 0.22 O ATOM 1040 CB ASN A 63 -2.394 -11.607 -3.966 1.00 44.12 C ATOM 1041 CG ASN A 63 -3.263 -12.827 -3.723 1.00 41.32 C ATOM 1042 OD1 ASN A 63 -3.872 -13.363 -4.649 1.00 4.23 O ATOM 1043 ND2 ASN A 63 -3.324 -13.269 -2.472 1.00 23.11 N ATOM 0 H ASN A 63 0.131 -10.719 -2.440 1.00 53.52 H new ATOM 0 HA ASN A 63 -0.770 -12.670 -3.043 1.00 11.54 H new ATOM 0 HB2 ASN A 63 -2.671 -10.821 -3.264 1.00 44.12 H new ATOM 0 HB3 ASN A 63 -2.585 -11.222 -4.968 1.00 44.12 H new ATOM 0 HD21 ASN A 63 -3.893 -14.085 -2.247 1.00 23.11 H new ATOM 0 HD22 ASN A 63 -2.802 -12.792 -1.737 1.00 23.11 H new ATOM 1050 N SER A 64 0.920 -12.851 -5.117 1.00 50.11 N ATOM 1051 CA SER A 64 1.567 -13.392 -6.306 1.00 63.43 C ATOM 1052 C SER A 64 0.935 -14.720 -6.712 1.00 14.22 C ATOM 1053 O SER A 64 0.170 -15.314 -5.952 1.00 0.51 O ATOM 1054 CB SER A 64 3.064 -13.582 -6.056 1.00 53.02 C ATOM 1055 OG SER A 64 3.715 -12.334 -5.881 1.00 23.44 O ATOM 0 H SER A 64 1.523 -12.798 -4.296 1.00 50.11 H new ATOM 0 HA SER A 64 1.429 -12.680 -7.120 1.00 63.43 H new ATOM 0 HB2 SER A 64 3.212 -14.200 -5.171 1.00 53.02 H new ATOM 0 HB3 SER A 64 3.511 -14.114 -6.895 1.00 53.02 H new ATOM 0 HG SER A 64 4.676 -12.441 -6.039 1.00 23.44 H new ATOM 1061 N ALA A 65 1.261 -15.180 -7.915 1.00 42.50 N ATOM 1062 CA ALA A 65 0.729 -16.439 -8.422 1.00 32.45 C ATOM 1063 C ALA A 65 1.243 -17.621 -7.607 1.00 63.22 C ATOM 1064 O ALA A 65 2.346 -18.113 -7.839 1.00 45.33 O ATOM 1065 CB ALA A 65 1.088 -16.612 -9.890 1.00 73.53 C ATOM 0 H ALA A 65 1.891 -14.700 -8.557 1.00 42.50 H new ATOM 0 HA ALA A 65 -0.356 -16.410 -8.326 1.00 32.45 H new ATOM 0 HB1 ALA A 65 0.684 -17.556 -10.254 1.00 73.53 H new ATOM 0 HB2 ALA A 65 0.665 -15.790 -10.467 1.00 73.53 H new ATOM 0 HB3 ALA A 65 2.172 -16.614 -10.002 1.00 73.53 H new ATOM 1071 N ARG A 66 0.435 -18.071 -6.652 1.00 15.32 N ATOM 1072 CA ARG A 66 0.811 -19.193 -5.801 1.00 24.04 C ATOM 1073 C ARG A 66 -0.368 -20.143 -5.602 1.00 73.22 C ATOM 1074 O ARG A 66 -1.485 -19.709 -5.318 1.00 3.41 O ATOM 1075 CB ARG A 66 1.308 -18.691 -4.445 1.00 55.35 C ATOM 1076 CG ARG A 66 2.783 -18.322 -4.436 1.00 71.14 C ATOM 1077 CD ARG A 66 3.239 -17.881 -3.054 1.00 41.11 C ATOM 1078 NE ARG A 66 4.005 -18.922 -2.374 1.00 14.34 N ATOM 1079 CZ ARG A 66 4.744 -18.702 -1.291 1.00 74.33 C ATOM 1080 NH1 ARG A 66 4.815 -17.485 -0.770 1.00 72.01 N ATOM 1081 NH2 ARG A 66 5.412 -19.699 -0.728 1.00 4.13 N ATOM 0 H ARG A 66 -0.483 -17.676 -6.449 1.00 15.32 H new ATOM 0 HA ARG A 66 1.616 -19.737 -6.296 1.00 24.04 H new ATOM 0 HB2 ARG A 66 0.722 -17.820 -4.153 1.00 55.35 H new ATOM 0 HB3 ARG A 66 1.130 -19.461 -3.694 1.00 55.35 H new ATOM 0 HG2 ARG A 66 3.375 -19.178 -4.760 1.00 71.14 H new ATOM 0 HG3 ARG A 66 2.963 -17.521 -5.153 1.00 71.14 H new ATOM 0 HD2 ARG A 66 3.848 -16.982 -3.143 1.00 41.11 H new ATOM 0 HD3 ARG A 66 2.369 -17.618 -2.452 1.00 41.11 H new ATOM 0 HE ARG A 66 3.971 -19.869 -2.750 1.00 14.34 H new ATOM 0 HH11 ARG A 66 4.302 -16.715 -1.200 1.00 72.01 H new ATOM 0 HH12 ARG A 66 5.383 -17.318 0.061 1.00 72.01 H new ATOM 0 HH21 ARG A 66 5.360 -20.637 -1.126 1.00 4.13 H new ATOM 0 HH22 ARG A 66 5.979 -19.528 0.103 1.00 4.13 H new ATOM 1095 N ALA A 67 -0.111 -21.437 -5.753 1.00 4.31 N ATOM 1096 CA ALA A 67 -1.149 -22.447 -5.588 1.00 75.30 C ATOM 1097 C ALA A 67 -1.482 -22.657 -4.115 1.00 73.21 C ATOM 1098 O ALA A 67 -2.581 -23.092 -3.773 1.00 0.21 O ATOM 1099 CB ALA A 67 -0.716 -23.759 -6.225 1.00 62.45 C ATOM 0 H ALA A 67 0.808 -21.811 -5.990 1.00 4.31 H new ATOM 0 HA ALA A 67 -2.049 -22.092 -6.090 1.00 75.30 H new ATOM 0 HB1 ALA A 67 -1.501 -24.504 -6.094 1.00 62.45 H new ATOM 0 HB2 ALA A 67 -0.536 -23.605 -7.289 1.00 62.45 H new ATOM 0 HB3 ALA A 67 0.200 -24.110 -5.749 1.00 62.45 H new ATOM 1105 N ALA A 68 -0.525 -22.345 -3.247 1.00 10.44 N ATOM 1106 CA ALA A 68 -0.717 -22.499 -1.810 1.00 5.22 C ATOM 1107 C ALA A 68 -1.125 -21.179 -1.167 1.00 14.32 C ATOM 1108 O ALA A 68 -0.871 -20.950 0.016 1.00 35.50 O ATOM 1109 CB ALA A 68 0.551 -23.036 -1.162 1.00 61.44 C ATOM 0 H ALA A 68 0.391 -21.984 -3.514 1.00 10.44 H new ATOM 0 HA ALA A 68 -1.523 -23.215 -1.650 1.00 5.22 H new ATOM 0 HB1 ALA A 68 0.393 -23.146 -0.089 1.00 61.44 H new ATOM 0 HB2 ALA A 68 0.797 -24.006 -1.594 1.00 61.44 H new ATOM 0 HB3 ALA A 68 1.372 -22.341 -1.338 1.00 61.44 H new ATOM 1115 N ALA A 69 -1.756 -20.313 -1.952 1.00 14.20 N ATOM 1116 CA ALA A 69 -2.199 -19.015 -1.458 1.00 53.33 C ATOM 1117 C ALA A 69 -3.240 -19.174 -0.356 1.00 32.02 C ATOM 1118 O ALA A 69 -3.911 -20.202 -0.266 1.00 54.34 O ATOM 1119 CB ALA A 69 -2.758 -18.178 -2.598 1.00 63.11 C ATOM 0 H ALA A 69 -1.972 -20.487 -2.934 1.00 14.20 H new ATOM 0 HA ALA A 69 -1.336 -18.501 -1.035 1.00 53.33 H new ATOM 0 HB1 ALA A 69 -3.085 -17.212 -2.214 1.00 63.11 H new ATOM 0 HB2 ALA A 69 -1.985 -18.026 -3.351 1.00 63.11 H new ATOM 0 HB3 ALA A 69 -3.606 -18.695 -3.047 1.00 63.11 H new ATOM 1125 N ASN A 70 -3.370 -18.150 0.482 1.00 71.35 N ATOM 1126 CA ASN A 70 -4.330 -18.177 1.579 1.00 51.00 C ATOM 1127 C ASN A 70 -4.958 -16.802 1.788 1.00 42.44 C ATOM 1128 O ASN A 70 -4.541 -15.819 1.176 1.00 44.22 O ATOM 1129 CB ASN A 70 -3.649 -18.640 2.869 1.00 2.15 C ATOM 1130 CG ASN A 70 -2.941 -17.507 3.588 1.00 45.21 C ATOM 1131 OD1 ASN A 70 -3.521 -16.844 4.447 1.00 30.40 O ATOM 1132 ND2 ASN A 70 -1.680 -17.282 3.238 1.00 73.23 N ATOM 0 H ASN A 70 -2.822 -17.292 0.422 1.00 71.35 H new ATOM 0 HA ASN A 70 -5.120 -18.882 1.319 1.00 51.00 H new ATOM 0 HB2 ASN A 70 -4.394 -19.079 3.533 1.00 2.15 H new ATOM 0 HB3 ASN A 70 -2.929 -19.424 2.635 1.00 2.15 H new ATOM 0 HD21 ASN A 70 -1.152 -16.534 3.687 1.00 73.23 H new ATOM 0 HD22 ASN A 70 -1.240 -17.857 2.520 1.00 73.23 H new ATOM 1139 N SER A 71 -5.962 -16.741 2.657 1.00 22.12 N ATOM 1140 CA SER A 71 -6.649 -15.488 2.944 1.00 75.42 C ATOM 1141 C SER A 71 -7.304 -14.927 1.686 1.00 42.35 C ATOM 1142 O SER A 71 -6.730 -14.080 0.999 1.00 20.44 O ATOM 1143 CB SER A 71 -5.669 -14.465 3.522 1.00 12.12 C ATOM 1144 OG SER A 71 -6.120 -13.978 4.774 1.00 32.44 O ATOM 0 H SER A 71 -6.317 -17.545 3.174 1.00 22.12 H new ATOM 0 HA SER A 71 -7.428 -15.690 3.679 1.00 75.42 H new ATOM 0 HB2 SER A 71 -4.687 -14.923 3.639 1.00 12.12 H new ATOM 0 HB3 SER A 71 -5.553 -13.635 2.826 1.00 12.12 H new ATOM 0 HG SER A 71 -5.476 -13.327 5.123 1.00 32.44 H new ATOM 1150 N SER A 72 -8.508 -15.403 1.389 1.00 33.34 N ATOM 1151 CA SER A 72 -9.241 -14.953 0.211 1.00 1.12 C ATOM 1152 C SER A 72 -8.287 -14.664 -0.944 1.00 74.00 C ATOM 1153 O SER A 72 -8.001 -15.539 -1.759 1.00 21.51 O ATOM 1154 CB SER A 72 -10.056 -13.701 0.540 1.00 32.00 C ATOM 1155 OG SER A 72 -11.444 -13.985 0.554 1.00 41.34 O ATOM 0 H SER A 72 -8.998 -16.101 1.948 1.00 33.34 H new ATOM 0 HA SER A 72 -9.920 -15.750 -0.092 1.00 1.12 H new ATOM 0 HB2 SER A 72 -9.752 -13.310 1.511 1.00 32.00 H new ATOM 0 HB3 SER A 72 -9.848 -12.924 -0.196 1.00 32.00 H new ATOM 0 HG SER A 72 -11.943 -13.169 0.768 1.00 41.34 H new TER 1161 SER A 72