USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 704 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 9 CYS SG : rot 81:sc= 1.39 USER MOD Set 1.2: A 81 CYS SG : rot -78:sc= 0.245 USER MOD Set 2.1: A 11 ASN : amide:sc= -2.16! C(o=-2.2!,f=-4.9!) USER MOD Set 2.2: A 17 HIS : no HE2:sc= -0.609! C(o=-2.2!,f=-13!) USER MOD Set 2.3: A 36 SER OG : rot -156:sc= 0.606 USER MOD Single : A 1 MET CE :methyl -166:sc= 0 (180deg=-0.387) USER MOD Single : A 1 MET N :NH3+ -172:sc= 0.797 (180deg=0.758) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 110:sc= -0.705 USER MOD Single : A 10 CYS SG : rot 180:sc= 0.0285 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0.505 K(o=0.5,f=0) USER MOD Single : A 15 ASN : amide:sc= 1.89 K(o=1.9,f=-0.062) USER MOD Single : A 20 MET CE :methyl 177:sc= -0.251 (180deg=-0.264) USER MOD Single : A 22 CYS SG : rot 62:sc= -1.45 USER MOD Single : A 29 LYS NZ :NH3+ 158:sc= 1.02 (180deg=0.726) USER MOD Single : A 30 MET CE :methyl 166:sc= -0.0378 (180deg=-0.278) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 1.28 (180deg=1.28) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 TYR OH : rot 30:sc= 0.299 USER MOD Single : A 55 CYS SG : rot -49:sc= -0.016 USER MOD Single : A 57 ASN : amide:sc= 1.13 K(o=1.1,f=-0.053) USER MOD Single : A 60 LYS NZ :NH3+ -171:sc= 1.02 (180deg=0.958) USER MOD Single : A 62 HIS : no HD1:sc= -0.0253 X(o=-0.025,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 6:sc= 1.14 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 16:sc= 0.871 USER MOD Single : A 80 GLN : amide:sc= 0.312 X(o=0.31,f=-0.077) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -171:sc= 2.38 (180deg=2.34) USER MOD Single : A 87 THR OG1 : rot 69:sc= 0.758 USER MOD Single : A 88 GLN : amide:sc= 0.842 K(o=0.84,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.532 -0.608 -0.709 1.00 0.00 N ATOM 2 CA MET A 1 3.096 -0.286 -2.038 1.00 0.00 C ATOM 3 C MET A 1 4.235 0.715 -1.855 1.00 0.00 C ATOM 4 O MET A 1 4.079 1.721 -1.161 1.00 0.00 O ATOM 5 CB MET A 1 2.025 0.230 -3.022 1.00 0.00 C ATOM 6 CG MET A 1 2.567 0.296 -4.458 1.00 0.00 C ATOM 7 SD MET A 1 1.338 0.763 -5.710 1.00 0.00 S ATOM 8 CE MET A 1 2.324 0.494 -7.209 1.00 0.00 C ATOM 0 H1 MET A 1 1.849 -1.387 -0.801 1.00 0.00 H new ATOM 0 H2 MET A 1 3.298 -0.894 -0.067 1.00 0.00 H new ATOM 0 H3 MET A 1 2.052 0.230 -0.324 1.00 0.00 H new ATOM 0 HA MET A 1 3.486 -1.199 -2.488 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.154 -0.425 -2.990 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.691 1.220 -2.712 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.388 1.012 -4.490 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.982 -0.677 -4.721 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.827 0.960 -8.060 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.312 0.936 -7.079 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.426 -0.576 -7.390 1.00 0.00 H new ATOM 20 N GLU A 2 5.392 0.437 -2.459 1.00 0.00 N ATOM 21 CA GLU A 2 6.616 1.215 -2.314 1.00 0.00 C ATOM 22 C GLU A 2 7.110 1.548 -3.724 1.00 0.00 C ATOM 23 O GLU A 2 6.710 0.885 -4.690 1.00 0.00 O ATOM 24 CB GLU A 2 7.673 0.407 -1.534 1.00 0.00 C ATOM 25 CG GLU A 2 7.231 -0.052 -0.132 1.00 0.00 C ATOM 26 CD GLU A 2 6.345 -1.314 -0.127 1.00 0.00 C ATOM 27 OE1 GLU A 2 6.840 -2.414 -0.462 1.00 0.00 O ATOM 28 OE2 GLU A 2 5.152 -1.224 0.249 1.00 0.00 O ATOM 0 H GLU A 2 5.502 -0.363 -3.082 1.00 0.00 H new ATOM 0 HA GLU A 2 6.432 2.131 -1.753 1.00 0.00 H new ATOM 0 HB2 GLU A 2 7.943 -0.471 -2.120 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.573 1.014 -1.435 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.118 -0.243 0.471 1.00 0.00 H new ATOM 0 HG3 GLU A 2 6.687 0.761 0.349 1.00 0.00 H new ATOM 35 N TRP A 3 7.980 2.549 -3.851 1.00 0.00 N ATOM 36 CA TRP A 3 8.429 3.057 -5.137 1.00 0.00 C ATOM 37 C TRP A 3 9.951 3.058 -5.193 1.00 0.00 C ATOM 38 O TRP A 3 10.619 3.007 -4.161 1.00 0.00 O ATOM 39 CB TRP A 3 7.884 4.475 -5.381 1.00 0.00 C ATOM 40 CG TRP A 3 6.434 4.701 -5.081 1.00 0.00 C ATOM 41 CD1 TRP A 3 5.947 5.244 -3.943 1.00 0.00 C ATOM 42 CD2 TRP A 3 5.268 4.418 -5.912 1.00 0.00 C ATOM 43 NE1 TRP A 3 4.571 5.310 -4.003 1.00 0.00 N ATOM 44 CE2 TRP A 3 4.095 4.813 -5.198 1.00 0.00 C ATOM 45 CE3 TRP A 3 5.082 3.874 -7.201 1.00 0.00 C ATOM 46 CZ2 TRP A 3 2.806 4.669 -5.735 1.00 0.00 C ATOM 47 CZ3 TRP A 3 3.795 3.733 -7.753 1.00 0.00 C ATOM 48 CH2 TRP A 3 2.659 4.125 -7.022 1.00 0.00 C ATOM 0 H TRP A 3 8.394 3.032 -3.054 1.00 0.00 H new ATOM 0 HA TRP A 3 8.046 2.405 -5.922 1.00 0.00 H new ATOM 0 HB2 TRP A 3 8.468 5.172 -4.780 1.00 0.00 H new ATOM 0 HB3 TRP A 3 8.059 4.731 -6.426 1.00 0.00 H new ATOM 0 HD1 TRP A 3 6.547 5.577 -3.109 1.00 0.00 H new ATOM 0 HE1 TRP A 3 3.980 5.680 -3.258 1.00 0.00 H new ATOM 0 HE3 TRP A 3 5.942 3.560 -7.774 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 1.939 4.972 -5.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 3.679 3.321 -8.745 1.00 0.00 H new ATOM 0 HH2 TRP A 3 1.674 4.008 -7.450 1.00 0.00 H new ATOM 59 N LEU A 4 10.493 3.186 -6.399 1.00 0.00 N ATOM 60 CA LEU A 4 11.904 3.361 -6.687 1.00 0.00 C ATOM 61 C LEU A 4 12.042 4.698 -7.398 1.00 0.00 C ATOM 62 O LEU A 4 11.323 4.982 -8.354 1.00 0.00 O ATOM 63 CB LEU A 4 12.379 2.211 -7.582 1.00 0.00 C ATOM 64 CG LEU A 4 13.845 2.268 -8.050 1.00 0.00 C ATOM 65 CD1 LEU A 4 14.833 2.057 -6.900 1.00 0.00 C ATOM 66 CD2 LEU A 4 14.076 1.176 -9.102 1.00 0.00 C ATOM 0 H LEU A 4 9.925 3.169 -7.246 1.00 0.00 H new ATOM 0 HA LEU A 4 12.511 3.352 -5.782 1.00 0.00 H new ATOM 0 HB2 LEU A 4 12.228 1.275 -7.044 1.00 0.00 H new ATOM 0 HB3 LEU A 4 11.740 2.178 -8.464 1.00 0.00 H new ATOM 0 HG LEU A 4 14.020 3.261 -8.464 1.00 0.00 H new ATOM 0 HD11 LEU A 4 15.852 2.106 -7.283 1.00 0.00 H new ATOM 0 HD12 LEU A 4 14.689 2.834 -6.149 1.00 0.00 H new ATOM 0 HD13 LEU A 4 14.662 1.080 -6.448 1.00 0.00 H new ATOM 0 HD21 LEU A 4 15.112 1.209 -9.439 1.00 0.00 H new ATOM 0 HD22 LEU A 4 13.868 0.200 -8.665 1.00 0.00 H new ATOM 0 HD23 LEU A 4 13.413 1.342 -9.951 1.00 0.00 H new ATOM 78 N VAL A 5 12.966 5.512 -6.920 1.00 0.00 N ATOM 79 CA VAL A 5 13.414 6.733 -7.573 1.00 0.00 C ATOM 80 C VAL A 5 14.388 6.260 -8.636 1.00 0.00 C ATOM 81 O VAL A 5 15.447 5.722 -8.277 1.00 0.00 O ATOM 82 CB VAL A 5 14.120 7.675 -6.575 1.00 0.00 C ATOM 83 CG1 VAL A 5 14.454 9.010 -7.251 1.00 0.00 C ATOM 84 CG2 VAL A 5 13.246 7.936 -5.339 1.00 0.00 C ATOM 0 H VAL A 5 13.443 5.337 -6.036 1.00 0.00 H new ATOM 0 HA VAL A 5 12.582 7.301 -7.988 1.00 0.00 H new ATOM 0 HB VAL A 5 15.039 7.186 -6.253 1.00 0.00 H new ATOM 0 HG11 VAL A 5 14.952 9.665 -6.536 1.00 0.00 H new ATOM 0 HG12 VAL A 5 15.113 8.833 -8.101 1.00 0.00 H new ATOM 0 HG13 VAL A 5 13.535 9.482 -7.597 1.00 0.00 H new ATOM 0 HG21 VAL A 5 13.772 8.603 -4.656 1.00 0.00 H new ATOM 0 HG22 VAL A 5 12.308 8.398 -5.647 1.00 0.00 H new ATOM 0 HG23 VAL A 5 13.037 6.992 -4.835 1.00 0.00 H new ATOM 94 N LYS A 6 14.011 6.470 -9.907 1.00 0.00 N ATOM 95 CA LYS A 6 14.805 6.128 -11.096 1.00 0.00 C ATOM 96 C LYS A 6 15.429 7.371 -11.740 1.00 0.00 C ATOM 97 O LYS A 6 16.436 7.237 -12.427 1.00 0.00 O ATOM 98 CB LYS A 6 13.935 5.387 -12.125 1.00 0.00 C ATOM 99 CG LYS A 6 13.817 3.878 -11.840 1.00 0.00 C ATOM 100 CD LYS A 6 14.818 3.007 -12.623 1.00 0.00 C ATOM 101 CE LYS A 6 16.290 3.426 -12.454 1.00 0.00 C ATOM 102 NZ LYS A 6 17.219 2.507 -13.163 1.00 0.00 N ATOM 0 H LYS A 6 13.115 6.897 -10.142 1.00 0.00 H new ATOM 0 HA LYS A 6 15.616 5.476 -10.771 1.00 0.00 H new ATOM 0 HB2 LYS A 6 12.938 5.828 -12.134 1.00 0.00 H new ATOM 0 HB3 LYS A 6 14.357 5.531 -13.120 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.962 3.709 -10.773 1.00 0.00 H new ATOM 0 HG3 LYS A 6 12.805 3.553 -12.079 1.00 0.00 H new ATOM 0 HD2 LYS A 6 14.708 1.971 -12.303 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.562 3.042 -13.682 1.00 0.00 H new ATOM 0 HE2 LYS A 6 16.424 4.439 -12.833 1.00 0.00 H new ATOM 0 HE3 LYS A 6 16.541 3.447 -11.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 18.199 2.827 -13.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 17.111 1.544 -12.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 16.998 2.506 -14.179 1.00 0.00 H new ATOM 116 N LYS A 7 14.862 8.560 -11.515 1.00 0.00 N ATOM 117 CA LYS A 7 15.393 9.870 -11.908 1.00 0.00 C ATOM 118 C LYS A 7 14.947 10.852 -10.825 1.00 0.00 C ATOM 119 O LYS A 7 13.924 10.615 -10.175 1.00 0.00 O ATOM 120 CB LYS A 7 14.905 10.308 -13.304 1.00 0.00 C ATOM 121 CG LYS A 7 15.543 9.496 -14.442 1.00 0.00 C ATOM 122 CD LYS A 7 15.076 9.967 -15.825 1.00 0.00 C ATOM 123 CE LYS A 7 15.611 9.046 -16.935 1.00 0.00 C ATOM 124 NZ LYS A 7 17.071 9.200 -17.169 1.00 0.00 N ATOM 0 H LYS A 7 13.970 8.639 -11.026 1.00 0.00 H new ATOM 0 HA LYS A 7 16.479 9.832 -11.988 1.00 0.00 H new ATOM 0 HB2 LYS A 7 13.821 10.204 -13.354 1.00 0.00 H new ATOM 0 HB3 LYS A 7 15.131 11.365 -13.447 1.00 0.00 H new ATOM 0 HG2 LYS A 7 16.628 9.578 -14.380 1.00 0.00 H new ATOM 0 HG3 LYS A 7 15.295 8.442 -14.317 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.987 9.985 -15.857 1.00 0.00 H new ATOM 0 HD3 LYS A 7 15.417 10.987 -15.999 1.00 0.00 H new ATOM 0 HE2 LYS A 7 15.399 8.010 -16.672 1.00 0.00 H new ATOM 0 HE3 LYS A 7 15.077 9.256 -17.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 17.371 8.554 -17.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 17.276 10.181 -17.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 17.588 8.973 -16.296 1.00 0.00 H new ATOM 138 N SER A 8 15.695 11.930 -10.623 1.00 0.00 N ATOM 139 CA SER A 8 15.498 12.906 -9.558 1.00 0.00 C ATOM 140 C SER A 8 16.073 14.249 -10.024 1.00 0.00 C ATOM 141 O SER A 8 17.006 14.279 -10.834 1.00 0.00 O ATOM 142 CB SER A 8 16.209 12.401 -8.292 1.00 0.00 C ATOM 143 OG SER A 8 17.462 11.802 -8.592 1.00 0.00 O ATOM 0 H SER A 8 16.489 12.157 -11.222 1.00 0.00 H new ATOM 0 HA SER A 8 14.441 13.039 -9.329 1.00 0.00 H new ATOM 0 HB2 SER A 8 16.360 13.233 -7.604 1.00 0.00 H new ATOM 0 HB3 SER A 8 15.573 11.677 -7.783 1.00 0.00 H new ATOM 0 HG SER A 8 18.186 12.377 -8.267 1.00 0.00 H new ATOM 149 N CYS A 9 15.558 15.348 -9.475 1.00 0.00 N ATOM 150 CA CYS A 9 16.024 16.707 -9.708 1.00 0.00 C ATOM 151 C CYS A 9 16.294 17.320 -8.338 1.00 0.00 C ATOM 152 O CYS A 9 15.350 17.731 -7.657 1.00 0.00 O ATOM 153 CB CYS A 9 14.969 17.515 -10.481 1.00 0.00 C ATOM 154 SG CYS A 9 14.691 16.807 -12.128 1.00 0.00 S ATOM 0 H CYS A 9 14.770 15.310 -8.828 1.00 0.00 H new ATOM 0 HA CYS A 9 16.930 16.714 -10.315 1.00 0.00 H new ATOM 0 HB2 CYS A 9 14.033 17.526 -9.923 1.00 0.00 H new ATOM 0 HB3 CYS A 9 15.296 18.550 -10.576 1.00 0.00 H new ATOM 0 HG CYS A 9 13.885 15.791 -12.033 1.00 0.00 H new ATOM 160 N CYS A 10 17.563 17.319 -7.918 1.00 0.00 N ATOM 161 CA CYS A 10 18.017 17.910 -6.661 1.00 0.00 C ATOM 162 C CYS A 10 17.707 19.415 -6.632 1.00 0.00 C ATOM 163 O CYS A 10 17.642 20.059 -7.684 1.00 0.00 O ATOM 164 CB CYS A 10 19.523 17.663 -6.488 1.00 0.00 C ATOM 165 SG CYS A 10 19.900 15.883 -6.592 1.00 0.00 S ATOM 0 H CYS A 10 18.319 16.897 -8.457 1.00 0.00 H new ATOM 0 HA CYS A 10 17.485 17.440 -5.834 1.00 0.00 H new ATOM 0 HB2 CYS A 10 20.076 18.202 -7.257 1.00 0.00 H new ATOM 0 HB3 CYS A 10 19.852 18.054 -5.525 1.00 0.00 H new ATOM 0 HG CYS A 10 21.179 15.701 -6.445 1.00 0.00 H new ATOM 171 N ASN A 11 17.532 19.985 -5.435 1.00 0.00 N ATOM 172 CA ASN A 11 17.095 21.368 -5.246 1.00 0.00 C ATOM 173 C ASN A 11 17.670 21.960 -3.959 1.00 0.00 C ATOM 174 O ASN A 11 18.011 21.236 -3.022 1.00 0.00 O ATOM 175 CB ASN A 11 15.551 21.444 -5.220 1.00 0.00 C ATOM 176 CG ASN A 11 14.964 21.740 -3.842 1.00 0.00 C ATOM 177 OD1 ASN A 11 14.682 22.892 -3.526 1.00 0.00 O ATOM 178 ND2 ASN A 11 14.813 20.735 -2.995 1.00 0.00 N ATOM 0 H ASN A 11 17.693 19.489 -4.558 1.00 0.00 H new ATOM 0 HA ASN A 11 17.468 21.954 -6.086 1.00 0.00 H new ATOM 0 HB2 ASN A 11 15.224 22.217 -5.916 1.00 0.00 H new ATOM 0 HB3 ASN A 11 15.145 20.499 -5.580 1.00 0.00 H new ATOM 0 HD21 ASN A 11 14.455 20.909 -2.056 1.00 0.00 H new ATOM 0 HD22 ASN A 11 15.054 19.786 -3.281 1.00 0.00 H new ATOM 185 N LYS A 12 17.682 23.293 -3.913 1.00 0.00 N ATOM 186 CA LYS A 12 17.945 24.109 -2.731 1.00 0.00 C ATOM 187 C LYS A 12 17.059 25.348 -2.694 1.00 0.00 C ATOM 188 O LYS A 12 16.740 25.823 -1.605 1.00 0.00 O ATOM 189 CB LYS A 12 19.411 24.575 -2.744 1.00 0.00 C ATOM 190 CG LYS A 12 20.313 23.662 -1.917 1.00 0.00 C ATOM 191 CD LYS A 12 20.119 23.923 -0.415 1.00 0.00 C ATOM 192 CE LYS A 12 21.062 23.031 0.403 1.00 0.00 C ATOM 193 NZ LYS A 12 20.921 23.254 1.864 1.00 0.00 N ATOM 0 H LYS A 12 17.499 23.859 -4.742 1.00 0.00 H new ATOM 0 HA LYS A 12 17.734 23.494 -1.856 1.00 0.00 H new ATOM 0 HB2 LYS A 12 19.772 24.605 -3.772 1.00 0.00 H new ATOM 0 HB3 LYS A 12 19.471 25.591 -2.355 1.00 0.00 H new ATOM 0 HG2 LYS A 12 20.088 22.619 -2.142 1.00 0.00 H new ATOM 0 HG3 LYS A 12 21.355 23.829 -2.189 1.00 0.00 H new ATOM 0 HD2 LYS A 12 20.314 24.972 -0.192 1.00 0.00 H new ATOM 0 HD3 LYS A 12 19.085 23.725 -0.134 1.00 0.00 H new ATOM 0 HE2 LYS A 12 20.857 21.985 0.176 1.00 0.00 H new ATOM 0 HE3 LYS A 12 22.092 23.226 0.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 21.577 22.630 2.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 21.142 24.246 2.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 19.945 23.043 2.155 1.00 0.00 H new ATOM 207 N GLN A 13 16.686 25.882 -3.861 1.00 0.00 N ATOM 208 CA GLN A 13 16.056 27.191 -3.946 1.00 0.00 C ATOM 209 C GLN A 13 14.666 27.219 -3.306 1.00 0.00 C ATOM 210 O GLN A 13 14.234 28.290 -2.878 1.00 0.00 O ATOM 211 CB GLN A 13 15.951 27.628 -5.419 1.00 0.00 C ATOM 212 CG GLN A 13 17.310 27.876 -6.093 1.00 0.00 C ATOM 213 CD GLN A 13 17.135 28.144 -7.590 1.00 0.00 C ATOM 214 OE1 GLN A 13 16.615 29.178 -8.001 1.00 0.00 O ATOM 215 NE2 GLN A 13 17.543 27.211 -8.437 1.00 0.00 N ATOM 0 H GLN A 13 16.813 25.420 -4.761 1.00 0.00 H new ATOM 0 HA GLN A 13 16.687 27.884 -3.389 1.00 0.00 H new ATOM 0 HB2 GLN A 13 15.414 26.862 -5.978 1.00 0.00 H new ATOM 0 HB3 GLN A 13 15.356 28.540 -5.476 1.00 0.00 H new ATOM 0 HG2 GLN A 13 17.804 28.726 -5.622 1.00 0.00 H new ATOM 0 HG3 GLN A 13 17.956 27.010 -5.947 1.00 0.00 H new ATOM 0 HE21 GLN A 13 17.974 26.356 -8.085 1.00 0.00 H new ATOM 0 HE22 GLN A 13 17.427 27.348 -9.441 1.00 0.00 H new ATOM 224 N ASP A 14 13.958 26.081 -3.243 1.00 0.00 N ATOM 225 CA ASP A 14 12.535 26.079 -2.863 1.00 0.00 C ATOM 226 C ASP A 14 12.153 24.916 -1.943 1.00 0.00 C ATOM 227 O ASP A 14 10.981 24.725 -1.625 1.00 0.00 O ATOM 228 CB ASP A 14 11.704 26.068 -4.154 1.00 0.00 C ATOM 229 CG ASP A 14 10.235 26.489 -3.986 1.00 0.00 C ATOM 230 OD1 ASP A 14 9.884 27.252 -3.059 1.00 0.00 O ATOM 231 OD2 ASP A 14 9.445 26.127 -4.891 1.00 0.00 O ATOM 0 H ASP A 14 14.342 25.158 -3.448 1.00 0.00 H new ATOM 0 HA ASP A 14 12.329 26.976 -2.279 1.00 0.00 H new ATOM 0 HB2 ASP A 14 12.176 26.733 -4.878 1.00 0.00 H new ATOM 0 HB3 ASP A 14 11.732 25.064 -4.578 1.00 0.00 H new ATOM 236 N ASN A 15 13.137 24.108 -1.530 1.00 0.00 N ATOM 237 CA ASN A 15 12.994 22.854 -0.784 1.00 0.00 C ATOM 238 C ASN A 15 12.141 21.794 -1.521 1.00 0.00 C ATOM 239 O ASN A 15 11.966 20.687 -1.011 1.00 0.00 O ATOM 240 CB ASN A 15 12.530 23.136 0.662 1.00 0.00 C ATOM 241 CG ASN A 15 13.103 22.167 1.701 1.00 0.00 C ATOM 242 OD1 ASN A 15 13.738 22.582 2.666 1.00 0.00 O ATOM 243 ND2 ASN A 15 12.903 20.874 1.536 1.00 0.00 N ATOM 0 H ASN A 15 14.115 24.327 -1.720 1.00 0.00 H new ATOM 0 HA ASN A 15 13.980 22.393 -0.720 1.00 0.00 H new ATOM 0 HB2 ASN A 15 12.815 24.153 0.932 1.00 0.00 H new ATOM 0 HB3 ASN A 15 11.442 23.090 0.699 1.00 0.00 H new ATOM 0 HD21 ASN A 15 13.277 20.210 2.213 1.00 0.00 H new ATOM 0 HD22 ASN A 15 12.374 20.538 0.731 1.00 0.00 H new ATOM 250 N ARG A 16 11.642 22.074 -2.728 1.00 0.00 N ATOM 251 CA ARG A 16 10.853 21.137 -3.523 1.00 0.00 C ATOM 252 C ARG A 16 11.761 20.371 -4.472 1.00 0.00 C ATOM 253 O ARG A 16 12.458 20.977 -5.285 1.00 0.00 O ATOM 254 CB ARG A 16 9.764 21.864 -4.325 1.00 0.00 C ATOM 255 CG ARG A 16 8.639 22.364 -3.407 1.00 0.00 C ATOM 256 CD ARG A 16 7.400 22.757 -4.213 1.00 0.00 C ATOM 257 NE ARG A 16 7.585 24.027 -4.924 1.00 0.00 N ATOM 258 CZ ARG A 16 6.724 24.585 -5.777 1.00 0.00 C ATOM 259 NH1 ARG A 16 5.685 23.913 -6.264 1.00 0.00 N ATOM 260 NH2 ARG A 16 6.938 25.849 -6.117 1.00 0.00 N ATOM 0 H ARG A 16 11.779 22.975 -3.186 1.00 0.00 H new ATOM 0 HA ARG A 16 10.366 20.442 -2.839 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.203 22.707 -4.859 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.352 21.191 -5.077 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.378 21.585 -2.690 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.989 23.221 -2.832 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.170 21.970 -4.931 1.00 0.00 H new ATOM 0 HD3 ARG A 16 6.543 22.838 -3.544 1.00 0.00 H new ATOM 0 HE ARG A 16 8.454 24.531 -4.750 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.529 22.944 -5.987 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.044 24.367 -6.915 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.735 26.354 -5.729 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.305 26.317 -6.766 1.00 0.00 H new ATOM 274 N HIS A 17 11.718 19.047 -4.393 1.00 0.00 N ATOM 275 CA HIS A 17 12.344 18.148 -5.346 1.00 0.00 C ATOM 276 C HIS A 17 11.280 17.647 -6.313 1.00 0.00 C ATOM 277 O HIS A 17 10.079 17.759 -6.062 1.00 0.00 O ATOM 278 CB HIS A 17 12.971 16.960 -4.596 1.00 0.00 C ATOM 279 CG HIS A 17 14.196 17.325 -3.813 1.00 0.00 C ATOM 280 ND1 HIS A 17 14.438 17.115 -2.478 1.00 0.00 N ATOM 281 CD2 HIS A 17 15.310 17.900 -4.340 1.00 0.00 C ATOM 282 CE1 HIS A 17 15.674 17.566 -2.206 1.00 0.00 C ATOM 283 NE2 HIS A 17 16.245 18.076 -3.315 1.00 0.00 N ATOM 0 H HIS A 17 11.232 18.558 -3.641 1.00 0.00 H new ATOM 0 HA HIS A 17 13.126 18.670 -5.897 1.00 0.00 H new ATOM 0 HB2 HIS A 17 12.230 16.536 -3.919 1.00 0.00 H new ATOM 0 HB3 HIS A 17 13.228 16.182 -5.315 1.00 0.00 H new ATOM 0 HD1 HIS A 17 13.793 16.691 -1.811 1.00 0.00 H new ATOM 0 HD2 HIS A 17 15.449 18.174 -5.375 1.00 0.00 H new ATOM 0 HE1 HIS A 17 16.144 17.525 -1.235 1.00 0.00 H new ATOM 291 N VAL A 18 11.721 17.025 -7.401 1.00 0.00 N ATOM 292 CA VAL A 18 10.833 16.285 -8.287 1.00 0.00 C ATOM 293 C VAL A 18 11.585 15.026 -8.676 1.00 0.00 C ATOM 294 O VAL A 18 12.804 15.058 -8.868 1.00 0.00 O ATOM 295 CB VAL A 18 10.418 17.101 -9.530 1.00 0.00 C ATOM 296 CG1 VAL A 18 9.127 16.560 -10.165 1.00 0.00 C ATOM 297 CG2 VAL A 18 10.211 18.597 -9.250 1.00 0.00 C ATOM 0 H VAL A 18 12.699 17.020 -7.692 1.00 0.00 H new ATOM 0 HA VAL A 18 9.897 16.053 -7.780 1.00 0.00 H new ATOM 0 HB VAL A 18 11.259 16.990 -10.214 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.870 17.162 -11.036 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.278 15.525 -10.471 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.316 16.609 -9.438 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.921 19.103 -10.171 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.426 18.722 -8.505 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.139 19.029 -8.875 1.00 0.00 H new ATOM 307 N LEU A 19 10.868 13.911 -8.713 1.00 0.00 N ATOM 308 CA LEU A 19 11.448 12.603 -8.993 1.00 0.00 C ATOM 309 C LEU A 19 10.538 11.802 -9.916 1.00 0.00 C ATOM 310 O LEU A 19 9.377 12.162 -10.130 1.00 0.00 O ATOM 311 CB LEU A 19 11.813 11.789 -7.722 1.00 0.00 C ATOM 312 CG LEU A 19 11.575 12.342 -6.300 1.00 0.00 C ATOM 313 CD1 LEU A 19 11.935 11.243 -5.300 1.00 0.00 C ATOM 314 CD2 LEU A 19 12.440 13.568 -5.973 1.00 0.00 C ATOM 0 H LEU A 19 9.862 13.888 -8.549 1.00 0.00 H new ATOM 0 HA LEU A 19 12.395 12.793 -9.498 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.272 10.845 -7.787 1.00 0.00 H new ATOM 0 HB3 LEU A 19 12.875 11.553 -7.794 1.00 0.00 H new ATOM 0 HG LEU A 19 10.530 12.647 -6.241 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.776 11.608 -4.285 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.305 10.371 -5.475 1.00 0.00 H new ATOM 0 HD13 LEU A 19 12.982 10.965 -5.426 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.224 13.906 -4.960 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.494 13.300 -6.049 1.00 0.00 H new ATOM 0 HD23 LEU A 19 12.217 14.369 -6.678 1.00 0.00 H new ATOM 326 N MET A 20 11.070 10.692 -10.428 1.00 0.00 N ATOM 327 CA MET A 20 10.359 9.771 -11.287 1.00 0.00 C ATOM 328 C MET A 20 10.161 8.534 -10.426 1.00 0.00 C ATOM 329 O MET A 20 11.093 7.748 -10.225 1.00 0.00 O ATOM 330 CB MET A 20 11.163 9.533 -12.571 1.00 0.00 C ATOM 331 CG MET A 20 10.376 8.727 -13.607 1.00 0.00 C ATOM 332 SD MET A 20 11.252 8.479 -15.176 1.00 0.00 S ATOM 333 CE MET A 20 12.564 7.350 -14.649 1.00 0.00 C ATOM 0 H MET A 20 12.033 10.410 -10.246 1.00 0.00 H new ATOM 0 HA MET A 20 9.393 10.133 -11.639 1.00 0.00 H new ATOM 0 HB2 MET A 20 11.449 10.493 -13.001 1.00 0.00 H new ATOM 0 HB3 MET A 20 12.085 9.005 -12.327 1.00 0.00 H new ATOM 0 HG2 MET A 20 10.130 7.753 -13.183 1.00 0.00 H new ATOM 0 HG3 MET A 20 9.433 9.235 -13.807 1.00 0.00 H new ATOM 0 HE1 MET A 20 13.161 7.058 -15.513 1.00 0.00 H new ATOM 0 HE2 MET A 20 13.202 7.849 -13.919 1.00 0.00 H new ATOM 0 HE3 MET A 20 12.121 6.462 -14.197 1.00 0.00 H new ATOM 343 N LEU A 21 8.979 8.457 -9.815 1.00 0.00 N ATOM 344 CA LEU A 21 8.591 7.364 -8.936 1.00 0.00 C ATOM 345 C LEU A 21 8.238 6.195 -9.822 1.00 0.00 C ATOM 346 O LEU A 21 7.521 6.355 -10.803 1.00 0.00 O ATOM 347 CB LEU A 21 7.359 7.734 -8.089 1.00 0.00 C ATOM 348 CG LEU A 21 7.733 8.211 -6.681 1.00 0.00 C ATOM 349 CD1 LEU A 21 8.656 9.437 -6.722 1.00 0.00 C ATOM 350 CD2 LEU A 21 6.453 8.517 -5.899 1.00 0.00 C ATOM 0 H LEU A 21 8.254 9.167 -9.922 1.00 0.00 H new ATOM 0 HA LEU A 21 9.408 7.133 -8.253 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.796 8.517 -8.596 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.702 6.868 -8.012 1.00 0.00 H new ATOM 0 HG LEU A 21 8.286 7.417 -6.179 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.898 9.744 -5.705 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.574 9.184 -7.253 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.152 10.255 -7.238 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.712 8.857 -4.896 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.890 9.297 -6.413 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.844 7.616 -5.831 1.00 0.00 H new ATOM 362 N CYS A 22 8.710 5.013 -9.471 1.00 0.00 N ATOM 363 CA CYS A 22 8.565 3.835 -10.298 1.00 0.00 C ATOM 364 C CYS A 22 8.242 2.644 -9.416 1.00 0.00 C ATOM 365 O CYS A 22 8.407 2.712 -8.201 1.00 0.00 O ATOM 366 CB CYS A 22 9.870 3.593 -11.071 1.00 0.00 C ATOM 367 SG CYS A 22 10.365 5.078 -11.995 1.00 0.00 S ATOM 0 H CYS A 22 9.208 4.845 -8.597 1.00 0.00 H new ATOM 0 HA CYS A 22 7.754 3.976 -11.013 1.00 0.00 H new ATOM 0 HB2 CYS A 22 10.662 3.312 -10.376 1.00 0.00 H new ATOM 0 HB3 CYS A 22 9.739 2.758 -11.760 1.00 0.00 H new ATOM 0 HG CYS A 22 10.596 6.050 -11.163 1.00 0.00 H new ATOM 373 N ASP A 23 7.783 1.553 -10.019 1.00 0.00 N ATOM 374 CA ASP A 23 7.692 0.255 -9.349 1.00 0.00 C ATOM 375 C ASP A 23 9.065 -0.077 -8.744 1.00 0.00 C ATOM 376 O ASP A 23 10.089 0.347 -9.289 1.00 0.00 O ATOM 377 CB ASP A 23 7.254 -0.797 -10.380 1.00 0.00 C ATOM 378 CG ASP A 23 7.784 -2.204 -10.076 1.00 0.00 C ATOM 379 OD1 ASP A 23 7.214 -2.890 -9.197 1.00 0.00 O ATOM 380 OD2 ASP A 23 8.769 -2.605 -10.732 1.00 0.00 O ATOM 0 H ASP A 23 7.462 1.541 -10.987 1.00 0.00 H new ATOM 0 HA ASP A 23 6.957 0.270 -8.544 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.165 -0.827 -10.418 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.599 -0.492 -11.368 1.00 0.00 H new ATOM 385 N ALA A 24 9.103 -0.826 -7.636 1.00 0.00 N ATOM 386 CA ALA A 24 10.327 -1.352 -7.033 1.00 0.00 C ATOM 387 C ALA A 24 10.989 -2.388 -7.966 1.00 0.00 C ATOM 388 O ALA A 24 10.936 -3.596 -7.717 1.00 0.00 O ATOM 389 CB ALA A 24 10.013 -1.908 -5.635 1.00 0.00 C ATOM 0 H ALA A 24 8.261 -1.088 -7.123 1.00 0.00 H new ATOM 0 HA ALA A 24 11.055 -0.551 -6.905 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.926 -2.300 -5.186 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.613 -1.111 -5.008 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.277 -2.708 -5.718 1.00 0.00 H new ATOM 395 N GLY A 25 11.573 -1.908 -9.064 1.00 0.00 N ATOM 396 CA GLY A 25 12.059 -2.707 -10.186 1.00 0.00 C ATOM 397 C GLY A 25 11.970 -1.975 -11.531 1.00 0.00 C ATOM 398 O GLY A 25 12.564 -2.421 -12.514 1.00 0.00 O ATOM 0 H GLY A 25 11.726 -0.909 -9.200 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.095 -2.989 -10.001 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.483 -3.630 -10.243 1.00 0.00 H new ATOM 402 N GLY A 26 11.257 -0.848 -11.579 1.00 0.00 N ATOM 403 CA GLY A 26 11.144 0.035 -12.734 1.00 0.00 C ATOM 404 C GLY A 26 10.012 -0.320 -13.704 1.00 0.00 C ATOM 405 O GLY A 26 9.895 0.353 -14.729 1.00 0.00 O ATOM 0 H GLY A 26 10.721 -0.514 -10.778 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.995 1.055 -12.381 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.088 0.021 -13.278 1.00 0.00 H new ATOM 409 N ALA A 27 9.189 -1.342 -13.426 1.00 0.00 N ATOM 410 CA ALA A 27 8.217 -1.879 -14.389 1.00 0.00 C ATOM 411 C ALA A 27 7.020 -0.950 -14.677 1.00 0.00 C ATOM 412 O ALA A 27 6.296 -1.172 -15.648 1.00 0.00 O ATOM 413 CB ALA A 27 7.707 -3.235 -13.885 1.00 0.00 C ATOM 0 H ALA A 27 9.179 -1.820 -12.525 1.00 0.00 H new ATOM 0 HA ALA A 27 8.748 -1.978 -15.336 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.985 -3.639 -14.595 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.545 -3.925 -13.787 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.228 -3.106 -12.915 1.00 0.00 H new ATOM 419 N ILE A 28 6.807 0.071 -13.849 1.00 0.00 N ATOM 420 CA ILE A 28 5.755 1.088 -13.929 1.00 0.00 C ATOM 421 C ILE A 28 6.479 2.390 -13.587 1.00 0.00 C ATOM 422 O ILE A 28 7.399 2.349 -12.765 1.00 0.00 O ATOM 423 CB ILE A 28 4.630 0.788 -12.898 1.00 0.00 C ATOM 424 CG1 ILE A 28 3.938 -0.581 -13.100 1.00 0.00 C ATOM 425 CG2 ILE A 28 3.570 1.906 -12.837 1.00 0.00 C ATOM 426 CD1 ILE A 28 3.089 -0.709 -14.372 1.00 0.00 C ATOM 0 H ILE A 28 7.411 0.222 -13.041 1.00 0.00 H new ATOM 0 HA ILE A 28 5.270 1.124 -14.904 1.00 0.00 H new ATOM 0 HB ILE A 28 5.152 0.746 -11.942 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.703 -1.357 -13.115 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.301 -0.778 -12.237 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.808 1.646 -12.102 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.046 2.844 -12.550 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.105 2.020 -13.816 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.649 -1.705 -14.417 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.295 0.038 -14.356 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.719 -0.550 -15.247 1.00 0.00 H new ATOM 438 N LYS A 29 6.084 3.529 -14.169 1.00 0.00 N ATOM 439 CA LYS A 29 6.729 4.817 -13.915 1.00 0.00 C ATOM 440 C LYS A 29 5.687 5.929 -13.801 1.00 0.00 C ATOM 441 O LYS A 29 4.647 5.905 -14.463 1.00 0.00 O ATOM 442 CB LYS A 29 7.775 5.134 -15.001 1.00 0.00 C ATOM 443 CG LYS A 29 8.907 4.086 -15.060 1.00 0.00 C ATOM 444 CD LYS A 29 10.189 4.638 -15.701 1.00 0.00 C ATOM 445 CE LYS A 29 11.437 3.794 -15.373 1.00 0.00 C ATOM 446 NZ LYS A 29 11.389 2.439 -15.985 1.00 0.00 N ATOM 0 H LYS A 29 5.308 3.580 -14.829 1.00 0.00 H new ATOM 0 HA LYS A 29 7.255 4.754 -12.962 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.281 5.185 -15.972 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.205 6.117 -14.810 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.130 3.740 -14.051 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.566 3.219 -15.626 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.059 4.680 -16.782 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.348 5.661 -15.359 1.00 0.00 H new ATOM 0 HE2 LYS A 29 12.327 4.316 -15.725 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.531 3.697 -14.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.354 2.059 -16.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.816 1.809 -15.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.964 2.501 -16.932 1.00 0.00 H new ATOM 460 N MET A 30 5.995 6.916 -12.969 1.00 0.00 N ATOM 461 CA MET A 30 5.197 8.064 -12.568 1.00 0.00 C ATOM 462 C MET A 30 6.163 9.236 -12.364 1.00 0.00 C ATOM 463 O MET A 30 7.378 9.051 -12.299 1.00 0.00 O ATOM 464 CB MET A 30 4.459 7.764 -11.248 1.00 0.00 C ATOM 465 CG MET A 30 3.326 6.748 -11.418 1.00 0.00 C ATOM 466 SD MET A 30 2.421 6.326 -9.901 1.00 0.00 S ATOM 467 CE MET A 30 1.778 7.950 -9.412 1.00 0.00 C ATOM 0 H MET A 30 6.906 6.932 -12.511 1.00 0.00 H new ATOM 0 HA MET A 30 4.451 8.297 -13.328 1.00 0.00 H new ATOM 0 HB2 MET A 30 5.173 7.386 -10.516 1.00 0.00 H new ATOM 0 HB3 MET A 30 4.051 8.692 -10.846 1.00 0.00 H new ATOM 0 HG2 MET A 30 2.616 7.140 -12.147 1.00 0.00 H new ATOM 0 HG3 MET A 30 3.742 5.833 -11.839 1.00 0.00 H new ATOM 0 HE1 MET A 30 1.007 7.822 -8.652 1.00 0.00 H new ATOM 0 HE2 MET A 30 2.589 8.556 -9.008 1.00 0.00 H new ATOM 0 HE3 MET A 30 1.351 8.449 -10.282 1.00 0.00 H new ATOM 477 N ILE A 31 5.629 10.443 -12.214 1.00 0.00 N ATOM 478 CA ILE A 31 6.372 11.652 -11.879 1.00 0.00 C ATOM 479 C ILE A 31 5.736 12.159 -10.590 1.00 0.00 C ATOM 480 O ILE A 31 4.508 12.121 -10.478 1.00 0.00 O ATOM 481 CB ILE A 31 6.265 12.677 -13.021 1.00 0.00 C ATOM 482 CG1 ILE A 31 6.915 12.146 -14.318 1.00 0.00 C ATOM 483 CG2 ILE A 31 6.928 14.014 -12.646 1.00 0.00 C ATOM 484 CD1 ILE A 31 6.178 12.723 -15.522 1.00 0.00 C ATOM 0 H ILE A 31 4.629 10.612 -12.327 1.00 0.00 H new ATOM 0 HA ILE A 31 7.438 11.470 -11.744 1.00 0.00 H new ATOM 0 HB ILE A 31 5.201 12.840 -13.190 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.968 12.427 -14.352 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.875 11.057 -14.340 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.833 14.713 -13.477 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.438 14.429 -11.765 1.00 0.00 H new ATOM 0 HG23 ILE A 31 7.984 13.849 -12.430 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.633 12.351 -16.440 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.131 12.420 -15.487 1.00 0.00 H new ATOM 0 HD13 ILE A 31 6.242 13.811 -15.500 1.00 0.00 H new ATOM 496 N ALA A 32 6.530 12.640 -9.633 1.00 0.00 N ATOM 497 CA ALA A 32 6.013 13.224 -8.407 1.00 0.00 C ATOM 498 C ALA A 32 6.846 14.437 -8.024 1.00 0.00 C ATOM 499 O ALA A 32 8.076 14.383 -8.022 1.00 0.00 O ATOM 500 CB ALA A 32 6.033 12.203 -7.268 1.00 0.00 C ATOM 0 H ALA A 32 7.548 12.633 -9.691 1.00 0.00 H new ATOM 0 HA ALA A 32 4.981 13.530 -8.579 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.642 12.663 -6.360 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.415 11.346 -7.536 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.057 11.872 -7.094 1.00 0.00 H new ATOM 506 N GLU A 33 6.158 15.518 -7.680 1.00 0.00 N ATOM 507 CA GLU A 33 6.740 16.691 -7.060 1.00 0.00 C ATOM 508 C GLU A 33 6.636 16.442 -5.559 1.00 0.00 C ATOM 509 O GLU A 33 5.581 16.019 -5.065 1.00 0.00 O ATOM 510 CB GLU A 33 5.920 17.930 -7.460 1.00 0.00 C ATOM 511 CG GLU A 33 6.542 19.258 -7.013 1.00 0.00 C ATOM 512 CD GLU A 33 5.578 20.438 -7.238 1.00 0.00 C ATOM 513 OE1 GLU A 33 5.122 20.656 -8.385 1.00 0.00 O ATOM 514 OE2 GLU A 33 5.285 21.173 -6.266 1.00 0.00 O ATOM 0 H GLU A 33 5.153 15.601 -7.831 1.00 0.00 H new ATOM 0 HA GLU A 33 7.772 16.864 -7.365 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.803 17.942 -8.544 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.921 17.846 -7.032 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.807 19.200 -5.957 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.466 19.432 -7.564 1.00 0.00 H new ATOM 521 N VAL A 34 7.717 16.686 -4.831 1.00 0.00 N ATOM 522 CA VAL A 34 7.818 16.347 -3.426 1.00 0.00 C ATOM 523 C VAL A 34 8.591 17.445 -2.690 1.00 0.00 C ATOM 524 O VAL A 34 9.193 18.331 -3.297 1.00 0.00 O ATOM 525 CB VAL A 34 8.450 14.941 -3.249 1.00 0.00 C ATOM 526 CG1 VAL A 34 7.769 13.825 -4.060 1.00 0.00 C ATOM 527 CG2 VAL A 34 9.950 14.897 -3.572 1.00 0.00 C ATOM 0 H VAL A 34 8.555 17.130 -5.207 1.00 0.00 H new ATOM 0 HA VAL A 34 6.823 16.294 -2.983 1.00 0.00 H new ATOM 0 HB VAL A 34 8.291 14.751 -2.187 1.00 0.00 H new ATOM 0 HG11 VAL A 34 8.277 12.879 -3.874 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.725 13.742 -3.759 1.00 0.00 H new ATOM 0 HG13 VAL A 34 7.822 14.063 -5.122 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.324 13.884 -3.426 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.108 15.197 -4.608 1.00 0.00 H new ATOM 0 HG23 VAL A 34 10.485 15.579 -2.911 1.00 0.00 H new ATOM 537 N LYS A 35 8.613 17.367 -1.368 1.00 0.00 N ATOM 538 CA LYS A 35 9.459 18.148 -0.476 1.00 0.00 C ATOM 539 C LYS A 35 10.282 17.127 0.299 1.00 0.00 C ATOM 540 O LYS A 35 9.930 15.944 0.291 1.00 0.00 O ATOM 541 CB LYS A 35 8.570 19.016 0.432 1.00 0.00 C ATOM 542 CG LYS A 35 9.115 20.442 0.544 1.00 0.00 C ATOM 543 CD LYS A 35 8.110 21.348 1.273 1.00 0.00 C ATOM 544 CE LYS A 35 8.591 22.804 1.266 1.00 0.00 C ATOM 545 NZ LYS A 35 7.634 23.717 1.943 1.00 0.00 N ATOM 0 H LYS A 35 8.008 16.722 -0.860 1.00 0.00 H new ATOM 0 HA LYS A 35 10.123 18.837 -0.998 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.556 19.042 0.034 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.512 18.568 1.424 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.063 20.434 1.082 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.317 20.840 -0.451 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.135 21.279 0.791 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.983 21.006 2.300 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.561 22.866 1.760 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.736 23.132 0.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.002 24.689 1.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.715 23.679 1.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.514 23.422 2.933 1.00 0.00 H new ATOM 559 N SER A 36 11.377 17.516 0.941 1.00 0.00 N ATOM 560 CA SER A 36 12.254 16.544 1.595 1.00 0.00 C ATOM 561 C SER A 36 13.014 17.179 2.755 1.00 0.00 C ATOM 562 O SER A 36 13.346 18.364 2.703 1.00 0.00 O ATOM 563 CB SER A 36 13.239 15.941 0.578 1.00 0.00 C ATOM 564 OG SER A 36 12.661 15.752 -0.707 1.00 0.00 O ATOM 0 H SER A 36 11.679 18.487 1.024 1.00 0.00 H new ATOM 0 HA SER A 36 11.630 15.746 1.997 1.00 0.00 H new ATOM 0 HB2 SER A 36 14.106 16.595 0.488 1.00 0.00 H new ATOM 0 HB3 SER A 36 13.600 14.983 0.953 1.00 0.00 H new ATOM 0 HG SER A 36 13.152 15.052 -1.187 1.00 0.00 H new ATOM 570 N ASP A 37 13.310 16.388 3.790 1.00 0.00 N ATOM 571 CA ASP A 37 14.100 16.844 4.938 1.00 0.00 C ATOM 572 C ASP A 37 15.594 16.530 4.758 1.00 0.00 C ATOM 573 O ASP A 37 16.440 17.112 5.438 1.00 0.00 O ATOM 574 CB ASP A 37 13.556 16.220 6.230 1.00 0.00 C ATOM 575 CG ASP A 37 14.147 16.890 7.485 1.00 0.00 C ATOM 576 OD1 ASP A 37 14.090 18.136 7.599 1.00 0.00 O ATOM 577 OD2 ASP A 37 14.597 16.176 8.407 1.00 0.00 O ATOM 0 H ASP A 37 13.010 15.415 3.856 1.00 0.00 H new ATOM 0 HA ASP A 37 14.008 17.928 5.006 1.00 0.00 H new ATOM 0 HB2 ASP A 37 12.470 16.311 6.248 1.00 0.00 H new ATOM 0 HB3 ASP A 37 13.787 15.155 6.244 1.00 0.00 H new ATOM 582 N PHE A 38 15.921 15.655 3.799 1.00 0.00 N ATOM 583 CA PHE A 38 17.269 15.320 3.341 1.00 0.00 C ATOM 584 C PHE A 38 17.235 15.190 1.814 1.00 0.00 C ATOM 585 O PHE A 38 16.154 15.106 1.223 1.00 0.00 O ATOM 586 CB PHE A 38 17.743 13.994 3.966 1.00 0.00 C ATOM 587 CG PHE A 38 17.787 13.972 5.482 1.00 0.00 C ATOM 588 CD1 PHE A 38 16.608 13.727 6.208 1.00 0.00 C ATOM 589 CD2 PHE A 38 18.996 14.198 6.168 1.00 0.00 C ATOM 590 CE1 PHE A 38 16.631 13.722 7.612 1.00 0.00 C ATOM 591 CE2 PHE A 38 19.020 14.184 7.574 1.00 0.00 C ATOM 592 CZ PHE A 38 17.837 13.949 8.298 1.00 0.00 C ATOM 0 H PHE A 38 15.206 15.132 3.293 1.00 0.00 H new ATOM 0 HA PHE A 38 17.964 16.103 3.644 1.00 0.00 H new ATOM 0 HB2 PHE A 38 17.084 13.195 3.626 1.00 0.00 H new ATOM 0 HB3 PHE A 38 18.740 13.768 3.587 1.00 0.00 H new ATOM 0 HD1 PHE A 38 15.682 13.542 5.684 1.00 0.00 H new ATOM 0 HD2 PHE A 38 19.905 14.382 5.614 1.00 0.00 H new ATOM 0 HE1 PHE A 38 15.721 13.544 8.166 1.00 0.00 H new ATOM 0 HE2 PHE A 38 19.948 14.354 8.099 1.00 0.00 H new ATOM 0 HZ PHE A 38 17.855 13.943 9.378 1.00 0.00 H new ATOM 602 N ALA A 39 18.404 15.160 1.169 1.00 0.00 N ATOM 603 CA ALA A 39 18.508 14.901 -0.262 1.00 0.00 C ATOM 604 C ALA A 39 17.973 13.501 -0.597 1.00 0.00 C ATOM 605 O ALA A 39 18.069 12.576 0.213 1.00 0.00 O ATOM 606 CB ALA A 39 19.967 15.046 -0.713 1.00 0.00 C ATOM 0 H ALA A 39 19.302 15.315 1.627 1.00 0.00 H new ATOM 0 HA ALA A 39 17.901 15.631 -0.798 1.00 0.00 H new ATOM 0 HB1 ALA A 39 20.038 14.851 -1.783 1.00 0.00 H new ATOM 0 HB2 ALA A 39 20.313 16.058 -0.505 1.00 0.00 H new ATOM 0 HB3 ALA A 39 20.588 14.332 -0.172 1.00 0.00 H new ATOM 612 N VAL A 40 17.476 13.335 -1.821 1.00 0.00 N ATOM 613 CA VAL A 40 16.935 12.092 -2.361 1.00 0.00 C ATOM 614 C VAL A 40 17.377 12.034 -3.826 1.00 0.00 C ATOM 615 O VAL A 40 17.440 13.076 -4.491 1.00 0.00 O ATOM 616 CB VAL A 40 15.402 12.055 -2.142 1.00 0.00 C ATOM 617 CG1 VAL A 40 14.657 13.304 -2.651 1.00 0.00 C ATOM 618 CG2 VAL A 40 14.760 10.805 -2.759 1.00 0.00 C ATOM 0 H VAL A 40 17.438 14.100 -2.494 1.00 0.00 H new ATOM 0 HA VAL A 40 17.308 11.200 -1.858 1.00 0.00 H new ATOM 0 HB VAL A 40 15.293 12.030 -1.058 1.00 0.00 H new ATOM 0 HG11 VAL A 40 13.590 13.195 -2.458 1.00 0.00 H new ATOM 0 HG12 VAL A 40 15.031 14.187 -2.133 1.00 0.00 H new ATOM 0 HG13 VAL A 40 14.822 13.415 -3.723 1.00 0.00 H new ATOM 0 HG21 VAL A 40 13.685 10.822 -2.581 1.00 0.00 H new ATOM 0 HG22 VAL A 40 14.949 10.791 -3.832 1.00 0.00 H new ATOM 0 HG23 VAL A 40 15.189 9.913 -2.303 1.00 0.00 H new ATOM 628 N LYS A 41 17.748 10.850 -4.321 1.00 0.00 N ATOM 629 CA LYS A 41 18.393 10.694 -5.624 1.00 0.00 C ATOM 630 C LYS A 41 18.070 9.330 -6.238 1.00 0.00 C ATOM 631 O LYS A 41 17.351 8.527 -5.651 1.00 0.00 O ATOM 632 CB LYS A 41 19.907 11.010 -5.519 1.00 0.00 C ATOM 633 CG LYS A 41 20.688 10.370 -4.355 1.00 0.00 C ATOM 634 CD LYS A 41 20.669 8.841 -4.395 1.00 0.00 C ATOM 635 CE LYS A 41 21.453 8.239 -3.226 1.00 0.00 C ATOM 636 NZ LYS A 41 21.199 6.785 -3.108 1.00 0.00 N ATOM 0 H LYS A 41 17.608 9.970 -3.825 1.00 0.00 H new ATOM 0 HA LYS A 41 17.986 11.423 -6.324 1.00 0.00 H new ATOM 0 HB2 LYS A 41 20.380 10.702 -6.451 1.00 0.00 H new ATOM 0 HB3 LYS A 41 20.021 12.092 -5.446 1.00 0.00 H new ATOM 0 HG2 LYS A 41 21.721 10.716 -4.383 1.00 0.00 H new ATOM 0 HG3 LYS A 41 20.264 10.709 -3.410 1.00 0.00 H new ATOM 0 HD2 LYS A 41 19.638 8.488 -4.363 1.00 0.00 H new ATOM 0 HD3 LYS A 41 21.095 8.495 -5.337 1.00 0.00 H new ATOM 0 HE2 LYS A 41 22.519 8.415 -3.370 1.00 0.00 H new ATOM 0 HE3 LYS A 41 21.170 8.737 -2.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 21.742 6.401 -2.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 20.185 6.622 -2.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 21.492 6.309 -3.985 1.00 0.00 H new ATOM 650 N VAL A 42 18.575 9.080 -7.441 1.00 0.00 N ATOM 651 CA VAL A 42 18.354 7.843 -8.177 1.00 0.00 C ATOM 652 C VAL A 42 18.806 6.612 -7.386 1.00 0.00 C ATOM 653 O VAL A 42 19.772 6.650 -6.618 1.00 0.00 O ATOM 654 CB VAL A 42 19.045 7.947 -9.551 1.00 0.00 C ATOM 655 CG1 VAL A 42 18.847 6.674 -10.386 1.00 0.00 C ATOM 656 CG2 VAL A 42 18.456 9.144 -10.304 1.00 0.00 C ATOM 0 H VAL A 42 19.162 9.747 -7.942 1.00 0.00 H new ATOM 0 HA VAL A 42 17.284 7.708 -8.333 1.00 0.00 H new ATOM 0 HB VAL A 42 20.115 8.075 -9.391 1.00 0.00 H new ATOM 0 HG11 VAL A 42 19.349 6.787 -11.347 1.00 0.00 H new ATOM 0 HG12 VAL A 42 19.269 5.821 -9.855 1.00 0.00 H new ATOM 0 HG13 VAL A 42 17.782 6.509 -10.550 1.00 0.00 H new ATOM 0 HG21 VAL A 42 18.935 9.232 -11.279 1.00 0.00 H new ATOM 0 HG22 VAL A 42 17.384 8.998 -10.438 1.00 0.00 H new ATOM 0 HG23 VAL A 42 18.629 10.055 -9.731 1.00 0.00 H new ATOM 666 N GLY A 43 18.116 5.500 -7.636 1.00 0.00 N ATOM 667 CA GLY A 43 18.347 4.223 -6.999 1.00 0.00 C ATOM 668 C GLY A 43 17.883 4.274 -5.551 1.00 0.00 C ATOM 669 O GLY A 43 18.498 3.610 -4.715 1.00 0.00 O ATOM 0 H GLY A 43 17.355 5.472 -8.314 1.00 0.00 H new ATOM 0 HA2 GLY A 43 17.812 3.438 -7.534 1.00 0.00 H new ATOM 0 HA3 GLY A 43 19.407 3.972 -7.042 1.00 0.00 H new ATOM 673 N ASP A 44 16.845 5.068 -5.238 1.00 0.00 N ATOM 674 CA ASP A 44 16.391 5.170 -3.831 1.00 0.00 C ATOM 675 C ASP A 44 15.038 4.500 -3.708 1.00 0.00 C ATOM 676 O ASP A 44 14.197 4.676 -4.585 1.00 0.00 O ATOM 677 CB ASP A 44 16.255 6.608 -3.286 1.00 0.00 C ATOM 678 CG ASP A 44 17.548 7.262 -2.771 1.00 0.00 C ATOM 679 OD1 ASP A 44 18.513 6.532 -2.442 1.00 0.00 O ATOM 680 OD2 ASP A 44 17.571 8.503 -2.607 1.00 0.00 O ATOM 0 H ASP A 44 16.319 5.630 -5.907 1.00 0.00 H new ATOM 0 HA ASP A 44 17.167 4.686 -3.238 1.00 0.00 H new ATOM 0 HB2 ASP A 44 15.844 7.237 -4.076 1.00 0.00 H new ATOM 0 HB3 ASP A 44 15.528 6.600 -2.474 1.00 0.00 H new ATOM 685 N LEU A 45 14.790 3.767 -2.621 1.00 0.00 N ATOM 686 CA LEU A 45 13.440 3.290 -2.338 1.00 0.00 C ATOM 687 C LEU A 45 12.666 4.436 -1.684 1.00 0.00 C ATOM 688 O LEU A 45 13.259 5.250 -0.972 1.00 0.00 O ATOM 689 CB LEU A 45 13.501 2.086 -1.383 1.00 0.00 C ATOM 690 CG LEU A 45 12.214 1.243 -1.309 1.00 0.00 C ATOM 691 CD1 LEU A 45 12.024 0.369 -2.555 1.00 0.00 C ATOM 692 CD2 LEU A 45 12.291 0.338 -0.077 1.00 0.00 C ATOM 0 H LEU A 45 15.494 3.496 -1.935 1.00 0.00 H new ATOM 0 HA LEU A 45 12.947 2.975 -3.257 1.00 0.00 H new ATOM 0 HB2 LEU A 45 14.323 1.439 -1.691 1.00 0.00 H new ATOM 0 HB3 LEU A 45 13.738 2.448 -0.382 1.00 0.00 H new ATOM 0 HG LEU A 45 11.367 1.926 -1.247 1.00 0.00 H new ATOM 0 HD11 LEU A 45 11.104 -0.207 -2.458 1.00 0.00 H new ATOM 0 HD12 LEU A 45 11.963 1.004 -3.439 1.00 0.00 H new ATOM 0 HD13 LEU A 45 12.870 -0.311 -2.655 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.386 -0.265 -0.012 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.158 -0.317 -0.160 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.384 0.951 0.819 1.00 0.00 H new ATOM 704 N LEU A 46 11.349 4.461 -1.865 1.00 0.00 N ATOM 705 CA LEU A 46 10.425 5.312 -1.136 1.00 0.00 C ATOM 706 C LEU A 46 9.351 4.382 -0.600 1.00 0.00 C ATOM 707 O LEU A 46 8.587 3.815 -1.384 1.00 0.00 O ATOM 708 CB LEU A 46 9.778 6.390 -2.026 1.00 0.00 C ATOM 709 CG LEU A 46 10.730 7.481 -2.533 1.00 0.00 C ATOM 710 CD1 LEU A 46 9.961 8.467 -3.424 1.00 0.00 C ATOM 711 CD2 LEU A 46 11.396 8.255 -1.395 1.00 0.00 C ATOM 0 H LEU A 46 10.883 3.866 -2.550 1.00 0.00 H new ATOM 0 HA LEU A 46 10.956 5.851 -0.351 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.321 5.901 -2.887 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.973 6.865 -1.465 1.00 0.00 H new ATOM 0 HG LEU A 46 11.515 6.980 -3.099 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.641 9.240 -3.782 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.537 7.934 -4.275 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.158 8.928 -2.848 1.00 0.00 H new ATOM 0 HD21 LEU A 46 12.059 9.014 -1.810 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.631 8.736 -0.785 1.00 0.00 H new ATOM 0 HD23 LEU A 46 11.974 7.568 -0.777 1.00 0.00 H new ATOM 723 N SER A 47 9.265 4.262 0.719 1.00 0.00 N ATOM 724 CA SER A 47 8.226 3.467 1.381 1.00 0.00 C ATOM 725 C SER A 47 7.386 4.390 2.267 1.00 0.00 C ATOM 726 O SER A 47 7.964 5.261 2.926 1.00 0.00 O ATOM 727 CB SER A 47 8.832 2.318 2.192 1.00 0.00 C ATOM 728 OG SER A 47 9.815 1.634 1.439 1.00 0.00 O ATOM 0 H SER A 47 9.913 4.712 1.365 1.00 0.00 H new ATOM 0 HA SER A 47 7.586 3.012 0.625 1.00 0.00 H new ATOM 0 HB2 SER A 47 9.276 2.708 3.108 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.047 1.623 2.489 1.00 0.00 H new ATOM 0 HG SER A 47 10.190 0.905 1.976 1.00 0.00 H new ATOM 734 N PRO A 48 6.048 4.263 2.263 1.00 0.00 N ATOM 735 CA PRO A 48 5.172 5.231 2.905 1.00 0.00 C ATOM 736 C PRO A 48 5.286 5.165 4.429 1.00 0.00 C ATOM 737 O PRO A 48 5.629 4.133 5.012 1.00 0.00 O ATOM 738 CB PRO A 48 3.757 4.905 2.418 1.00 0.00 C ATOM 739 CG PRO A 48 3.827 3.421 2.069 1.00 0.00 C ATOM 740 CD PRO A 48 5.266 3.240 1.587 1.00 0.00 C ATOM 0 HA PRO A 48 5.446 6.253 2.642 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.013 5.100 3.190 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.483 5.507 1.552 1.00 0.00 H new ATOM 0 HG2 PRO A 48 3.611 2.794 2.934 1.00 0.00 H new ATOM 0 HG3 PRO A 48 3.107 3.156 1.295 1.00 0.00 H new ATOM 0 HD2 PRO A 48 5.636 2.243 1.828 1.00 0.00 H new ATOM 0 HD3 PRO A 48 5.332 3.351 0.505 1.00 0.00 H new ATOM 748 N LEU A 49 4.928 6.279 5.063 1.00 0.00 N ATOM 749 CA LEU A 49 4.895 6.466 6.513 1.00 0.00 C ATOM 750 C LEU A 49 3.500 6.944 6.924 1.00 0.00 C ATOM 751 O LEU A 49 2.974 6.518 7.952 1.00 0.00 O ATOM 752 CB LEU A 49 5.954 7.503 6.928 1.00 0.00 C ATOM 753 CG LEU A 49 7.408 7.111 6.607 1.00 0.00 C ATOM 754 CD1 LEU A 49 8.329 8.299 6.890 1.00 0.00 C ATOM 755 CD2 LEU A 49 7.872 5.901 7.423 1.00 0.00 C ATOM 0 H LEU A 49 4.639 7.116 4.557 1.00 0.00 H new ATOM 0 HA LEU A 49 5.116 5.522 7.012 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.730 8.447 6.432 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.869 7.678 8.000 1.00 0.00 H new ATOM 0 HG LEU A 49 7.453 6.837 5.553 1.00 0.00 H new ATOM 0 HD11 LEU A 49 9.359 8.023 6.663 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.034 9.144 6.268 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.251 8.578 7.941 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.903 5.661 7.163 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.810 6.134 8.486 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.233 5.046 7.201 1.00 0.00 H new ATOM 767 N GLN A 50 2.895 7.794 6.092 1.00 0.00 N ATOM 768 CA GLN A 50 1.495 8.210 6.128 1.00 0.00 C ATOM 769 C GLN A 50 1.126 8.630 4.694 1.00 0.00 C ATOM 770 O GLN A 50 1.877 8.323 3.763 1.00 0.00 O ATOM 771 CB GLN A 50 1.240 9.281 7.213 1.00 0.00 C ATOM 772 CG GLN A 50 2.174 10.501 7.179 1.00 0.00 C ATOM 773 CD GLN A 50 1.790 11.574 8.206 1.00 0.00 C ATOM 774 OE1 GLN A 50 1.342 11.285 9.314 1.00 0.00 O ATOM 775 NE2 GLN A 50 1.956 12.843 7.868 1.00 0.00 N ATOM 0 H GLN A 50 3.404 8.237 5.327 1.00 0.00 H new ATOM 0 HA GLN A 50 0.835 7.398 6.431 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.212 9.631 7.117 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.326 8.808 8.191 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.197 10.175 7.367 1.00 0.00 H new ATOM 0 HG3 GLN A 50 2.157 10.938 6.181 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.328 13.081 6.949 1.00 0.00 H new ATOM 0 HE22 GLN A 50 1.712 13.582 8.527 1.00 0.00 H new ATOM 784 N ASN A 51 -0.012 9.307 4.494 1.00 0.00 N ATOM 785 CA ASN A 51 -0.585 9.570 3.167 1.00 0.00 C ATOM 786 C ASN A 51 0.409 10.162 2.160 1.00 0.00 C ATOM 787 O ASN A 51 0.424 9.734 1.004 1.00 0.00 O ATOM 788 CB ASN A 51 -1.805 10.496 3.289 1.00 0.00 C ATOM 789 CG ASN A 51 -2.378 10.825 1.911 1.00 0.00 C ATOM 790 OD1 ASN A 51 -3.073 10.013 1.307 1.00 0.00 O ATOM 791 ND2 ASN A 51 -2.094 12.004 1.378 1.00 0.00 N ATOM 0 H ASN A 51 -0.567 9.692 5.258 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.879 8.596 2.775 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.570 10.018 3.901 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.519 11.416 3.798 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.454 12.246 0.455 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.515 12.669 1.891 1.00 0.00 H new ATOM 798 N ALA A 52 1.232 11.128 2.588 1.00 0.00 N ATOM 799 CA ALA A 52 2.170 11.836 1.744 1.00 0.00 C ATOM 800 C ALA A 52 3.618 11.662 2.199 1.00 0.00 C ATOM 801 O ALA A 52 4.501 11.875 1.374 1.00 0.00 O ATOM 802 CB ALA A 52 1.788 13.321 1.703 1.00 0.00 C ATOM 0 H ALA A 52 1.255 11.438 3.559 1.00 0.00 H new ATOM 0 HA ALA A 52 2.111 11.409 0.743 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.491 13.860 1.068 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.781 13.427 1.300 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.820 13.733 2.712 1.00 0.00 H new ATOM 808 N LEU A 53 3.908 11.317 3.463 1.00 0.00 N ATOM 809 CA LEU A 53 5.293 11.095 3.872 1.00 0.00 C ATOM 810 C LEU A 53 5.750 9.728 3.386 1.00 0.00 C ATOM 811 O LEU A 53 5.058 8.730 3.604 1.00 0.00 O ATOM 812 CB LEU A 53 5.531 11.173 5.390 1.00 0.00 C ATOM 813 CG LEU A 53 5.604 12.589 5.992 1.00 0.00 C ATOM 814 CD1 LEU A 53 5.713 12.485 7.517 1.00 0.00 C ATOM 815 CD2 LEU A 53 6.818 13.380 5.486 1.00 0.00 C ATOM 0 H LEU A 53 3.216 11.189 4.201 1.00 0.00 H new ATOM 0 HA LEU A 53 5.866 11.905 3.421 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.731 10.628 5.891 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.462 10.654 5.619 1.00 0.00 H new ATOM 0 HG LEU A 53 4.698 13.113 5.687 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.765 13.485 7.947 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.839 11.966 7.910 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.613 11.930 7.780 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.822 14.371 5.941 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.733 12.853 5.755 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.762 13.479 4.402 1.00 0.00 H new ATOM 827 N TYR A 54 6.962 9.680 2.844 1.00 0.00 N ATOM 828 CA TYR A 54 7.688 8.470 2.507 1.00 0.00 C ATOM 829 C TYR A 54 9.090 8.606 3.098 1.00 0.00 C ATOM 830 O TYR A 54 9.633 9.710 3.170 1.00 0.00 O ATOM 831 CB TYR A 54 7.764 8.293 0.981 1.00 0.00 C ATOM 832 CG TYR A 54 6.477 7.852 0.301 1.00 0.00 C ATOM 833 CD1 TYR A 54 5.417 8.757 0.105 1.00 0.00 C ATOM 834 CD2 TYR A 54 6.345 6.532 -0.166 1.00 0.00 C ATOM 835 CE1 TYR A 54 4.233 8.346 -0.534 1.00 0.00 C ATOM 836 CE2 TYR A 54 5.167 6.107 -0.800 1.00 0.00 C ATOM 837 CZ TYR A 54 4.108 7.017 -1.000 1.00 0.00 C ATOM 838 OH TYR A 54 2.992 6.598 -1.662 1.00 0.00 O ATOM 0 H TYR A 54 7.486 10.526 2.619 1.00 0.00 H new ATOM 0 HA TYR A 54 7.182 7.594 2.912 1.00 0.00 H new ATOM 0 HB2 TYR A 54 8.080 9.238 0.540 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.540 7.561 0.757 1.00 0.00 H new ATOM 0 HD1 TYR A 54 5.513 9.776 0.448 1.00 0.00 H new ATOM 0 HD2 TYR A 54 7.161 5.836 -0.035 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.421 9.045 -0.668 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.072 5.084 -1.134 1.00 0.00 H new ATOM 0 HH TYR A 54 2.599 7.352 -2.150 1.00 0.00 H new ATOM 848 N CYS A 55 9.676 7.493 3.535 1.00 0.00 N ATOM 849 CA CYS A 55 11.086 7.451 3.904 1.00 0.00 C ATOM 850 C CYS A 55 11.960 7.518 2.645 1.00 0.00 C ATOM 851 O CYS A 55 11.503 7.124 1.572 1.00 0.00 O ATOM 852 CB CYS A 55 11.392 6.193 4.723 1.00 0.00 C ATOM 853 SG CYS A 55 10.993 4.655 3.848 1.00 0.00 S ATOM 0 H CYS A 55 9.190 6.603 3.642 1.00 0.00 H new ATOM 0 HA CYS A 55 11.314 8.316 4.527 1.00 0.00 H new ATOM 0 HB2 CYS A 55 12.449 6.188 4.988 1.00 0.00 H new ATOM 0 HB3 CYS A 55 10.829 6.229 5.656 1.00 0.00 H new ATOM 0 HG CYS A 55 9.791 4.733 3.359 1.00 0.00 H new ATOM 859 N ILE A 56 13.212 7.961 2.770 1.00 0.00 N ATOM 860 CA ILE A 56 14.199 7.968 1.691 1.00 0.00 C ATOM 861 C ILE A 56 15.037 6.705 1.825 1.00 0.00 C ATOM 862 O ILE A 56 15.386 6.296 2.934 1.00 0.00 O ATOM 863 CB ILE A 56 15.130 9.207 1.785 1.00 0.00 C ATOM 864 CG1 ILE A 56 14.322 10.506 1.604 1.00 0.00 C ATOM 865 CG2 ILE A 56 16.266 9.163 0.729 1.00 0.00 C ATOM 866 CD1 ILE A 56 15.036 11.769 2.102 1.00 0.00 C ATOM 0 H ILE A 56 13.576 8.334 3.647 1.00 0.00 H new ATOM 0 HA ILE A 56 13.684 8.008 0.731 1.00 0.00 H new ATOM 0 HB ILE A 56 15.583 9.187 2.776 1.00 0.00 H new ATOM 0 HG12 ILE A 56 14.086 10.629 0.547 1.00 0.00 H new ATOM 0 HG13 ILE A 56 13.374 10.407 2.132 1.00 0.00 H new ATOM 0 HG21 ILE A 56 16.893 10.049 0.831 1.00 0.00 H new ATOM 0 HG22 ILE A 56 16.872 8.270 0.883 1.00 0.00 H new ATOM 0 HG23 ILE A 56 15.833 9.139 -0.271 1.00 0.00 H new ATOM 0 HD11 ILE A 56 14.398 12.637 1.937 1.00 0.00 H new ATOM 0 HD12 ILE A 56 15.247 11.672 3.167 1.00 0.00 H new ATOM 0 HD13 ILE A 56 15.971 11.897 1.557 1.00 0.00 H new ATOM 878 N ASN A 57 15.433 6.149 0.679 1.00 0.00 N ATOM 879 CA ASN A 57 16.412 5.083 0.479 1.00 0.00 C ATOM 880 C ASN A 57 15.927 3.715 0.935 1.00 0.00 C ATOM 881 O ASN A 57 16.121 2.757 0.187 1.00 0.00 O ATOM 882 CB ASN A 57 17.762 5.424 1.132 1.00 0.00 C ATOM 883 CG ASN A 57 18.829 4.459 0.652 1.00 0.00 C ATOM 884 OD1 ASN A 57 19.208 3.519 1.343 1.00 0.00 O ATOM 885 ND2 ASN A 57 19.311 4.681 -0.556 1.00 0.00 N ATOM 0 H ASN A 57 15.042 6.462 -0.210 1.00 0.00 H new ATOM 0 HA ASN A 57 16.551 5.018 -0.600 1.00 0.00 H new ATOM 0 HB2 ASN A 57 18.047 6.447 0.885 1.00 0.00 H new ATOM 0 HB3 ASN A 57 17.674 5.371 2.217 1.00 0.00 H new ATOM 0 HD21 ASN A 57 20.022 4.061 -0.943 1.00 0.00 H new ATOM 0 HD22 ASN A 57 18.972 5.473 -1.103 1.00 0.00 H new ATOM 892 N ARG A 58 15.288 3.672 2.111 1.00 0.00 N ATOM 893 CA ARG A 58 14.685 2.584 2.888 1.00 0.00 C ATOM 894 C ARG A 58 14.695 2.910 4.391 1.00 0.00 C ATOM 895 O ARG A 58 14.065 2.177 5.157 1.00 0.00 O ATOM 896 CB ARG A 58 15.313 1.200 2.616 1.00 0.00 C ATOM 897 CG ARG A 58 16.789 1.072 3.054 1.00 0.00 C ATOM 898 CD ARG A 58 17.736 0.535 1.972 1.00 0.00 C ATOM 899 NE ARG A 58 17.309 -0.763 1.415 1.00 0.00 N ATOM 900 CZ ARG A 58 16.836 -0.976 0.178 1.00 0.00 C ATOM 901 NH1 ARG A 58 16.557 0.040 -0.638 1.00 0.00 N ATOM 902 NH2 ARG A 58 16.641 -2.222 -0.241 1.00 0.00 N ATOM 0 H ARG A 58 15.164 4.548 2.619 1.00 0.00 H new ATOM 0 HA ARG A 58 13.652 2.512 2.548 1.00 0.00 H new ATOM 0 HB2 ARG A 58 14.726 0.440 3.132 1.00 0.00 H new ATOM 0 HB3 ARG A 58 15.243 0.986 1.549 1.00 0.00 H new ATOM 0 HG2 ARG A 58 17.145 2.051 3.375 1.00 0.00 H new ATOM 0 HG3 ARG A 58 16.840 0.414 3.921 1.00 0.00 H new ATOM 0 HD2 ARG A 58 17.805 1.264 1.165 1.00 0.00 H new ATOM 0 HD3 ARG A 58 18.736 0.431 2.393 1.00 0.00 H new ATOM 0 HE ARG A 58 17.380 -1.575 2.028 1.00 0.00 H new ATOM 0 HH11 ARG A 58 16.702 1.000 -0.325 1.00 0.00 H new ATOM 0 HH12 ARG A 58 16.198 -0.142 -1.575 1.00 0.00 H new ATOM 0 HH21 ARG A 58 16.851 -3.006 0.376 1.00 0.00 H new ATOM 0 HH22 ARG A 58 16.282 -2.394 -1.180 1.00 0.00 H new ATOM 916 N GLU A 59 15.396 3.962 4.844 1.00 0.00 N ATOM 917 CA GLU A 59 15.591 4.228 6.269 1.00 0.00 C ATOM 918 C GLU A 59 14.604 5.296 6.726 1.00 0.00 C ATOM 919 O GLU A 59 14.451 6.348 6.110 1.00 0.00 O ATOM 920 CB GLU A 59 17.043 4.573 6.614 1.00 0.00 C ATOM 921 CG GLU A 59 17.592 5.871 5.999 1.00 0.00 C ATOM 922 CD GLU A 59 19.109 6.008 6.227 1.00 0.00 C ATOM 923 OE1 GLU A 59 19.562 6.031 7.394 1.00 0.00 O ATOM 924 OE2 GLU A 59 19.867 6.098 5.234 1.00 0.00 O ATOM 0 H GLU A 59 15.840 4.646 4.232 1.00 0.00 H new ATOM 0 HA GLU A 59 15.385 3.312 6.822 1.00 0.00 H new ATOM 0 HB2 GLU A 59 17.131 4.642 7.698 1.00 0.00 H new ATOM 0 HB3 GLU A 59 17.678 3.746 6.295 1.00 0.00 H new ATOM 0 HG2 GLU A 59 17.381 5.885 4.930 1.00 0.00 H new ATOM 0 HG3 GLU A 59 17.079 6.727 6.437 1.00 0.00 H new ATOM 931 N LYS A 60 13.930 5.011 7.838 1.00 0.00 N ATOM 932 CA LYS A 60 12.741 5.753 8.258 1.00 0.00 C ATOM 933 C LYS A 60 13.029 7.177 8.730 1.00 0.00 C ATOM 934 O LYS A 60 12.132 8.018 8.682 1.00 0.00 O ATOM 935 CB LYS A 60 11.948 4.941 9.302 1.00 0.00 C ATOM 936 CG LYS A 60 11.717 3.458 8.932 1.00 0.00 C ATOM 937 CD LYS A 60 11.090 3.238 7.540 1.00 0.00 C ATOM 938 CE LYS A 60 10.895 1.754 7.192 1.00 0.00 C ATOM 939 NZ LYS A 60 12.173 1.027 6.973 1.00 0.00 N ATOM 0 H LYS A 60 14.192 4.258 8.475 1.00 0.00 H new ATOM 0 HA LYS A 60 12.122 5.882 7.370 1.00 0.00 H new ATOM 0 HB2 LYS A 60 12.477 4.985 10.254 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.980 5.418 9.453 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.671 2.933 8.974 1.00 0.00 H new ATOM 0 HG3 LYS A 60 11.071 3.005 9.684 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.125 3.744 7.499 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.725 3.701 6.785 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.343 1.269 7.997 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.283 1.676 6.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.973 0.079 6.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.760 1.553 6.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 12.682 0.940 7.876 1.00 0.00 H new ATOM 953 N LEU A 61 14.253 7.460 9.184 1.00 0.00 N ATOM 954 CA LEU A 61 14.614 8.747 9.762 1.00 0.00 C ATOM 955 C LEU A 61 14.740 9.852 8.714 1.00 0.00 C ATOM 956 O LEU A 61 14.689 11.028 9.077 1.00 0.00 O ATOM 957 CB LEU A 61 15.932 8.648 10.557 1.00 0.00 C ATOM 958 CG LEU A 61 15.914 7.607 11.698 1.00 0.00 C ATOM 959 CD1 LEU A 61 16.498 6.254 11.267 1.00 0.00 C ATOM 960 CD2 LEU A 61 16.714 8.114 12.904 1.00 0.00 C ATOM 0 H LEU A 61 15.024 6.793 9.158 1.00 0.00 H new ATOM 0 HA LEU A 61 13.798 9.013 10.434 1.00 0.00 H new ATOM 0 HB2 LEU A 61 16.739 8.400 9.868 1.00 0.00 H new ATOM 0 HB3 LEU A 61 16.162 9.627 10.978 1.00 0.00 H new ATOM 0 HG LEU A 61 14.867 7.466 11.965 1.00 0.00 H new ATOM 0 HD11 LEU A 61 16.462 5.558 12.105 1.00 0.00 H new ATOM 0 HD12 LEU A 61 15.915 5.853 10.438 1.00 0.00 H new ATOM 0 HD13 LEU A 61 17.533 6.388 10.951 1.00 0.00 H new ATOM 0 HD21 LEU A 61 16.689 7.367 13.697 1.00 0.00 H new ATOM 0 HD22 LEU A 61 17.747 8.293 12.606 1.00 0.00 H new ATOM 0 HD23 LEU A 61 16.275 9.043 13.267 1.00 0.00 H new ATOM 972 N HIS A 62 14.926 9.511 7.437 1.00 0.00 N ATOM 973 CA HIS A 62 15.100 10.479 6.361 1.00 0.00 C ATOM 974 C HIS A 62 13.799 10.465 5.564 1.00 0.00 C ATOM 975 O HIS A 62 13.364 9.383 5.171 1.00 0.00 O ATOM 976 CB HIS A 62 16.314 10.077 5.505 1.00 0.00 C ATOM 977 CG HIS A 62 17.644 9.996 6.225 1.00 0.00 C ATOM 978 ND1 HIS A 62 18.786 9.406 5.727 1.00 0.00 N ATOM 979 CD2 HIS A 62 17.962 10.490 7.464 1.00 0.00 C ATOM 980 CE1 HIS A 62 19.759 9.533 6.645 1.00 0.00 C ATOM 981 NE2 HIS A 62 19.306 10.189 7.729 1.00 0.00 N ATOM 0 H HIS A 62 14.960 8.542 7.121 1.00 0.00 H new ATOM 0 HA HIS A 62 15.297 11.486 6.728 1.00 0.00 H new ATOM 0 HB2 HIS A 62 16.109 9.106 5.055 1.00 0.00 H new ATOM 0 HB3 HIS A 62 16.410 10.793 4.689 1.00 0.00 H new ATOM 0 HD2 HIS A 62 17.291 11.021 8.124 1.00 0.00 H new ATOM 0 HE1 HIS A 62 20.766 9.160 6.529 1.00 0.00 H new ATOM 0 HE2 HIS A 62 19.833 10.420 8.571 1.00 0.00 H new ATOM 989 N THR A 63 13.168 11.617 5.318 1.00 0.00 N ATOM 990 CA THR A 63 11.802 11.657 4.809 1.00 0.00 C ATOM 991 C THR A 63 11.610 12.635 3.643 1.00 0.00 C ATOM 992 O THR A 63 12.382 13.579 3.441 1.00 0.00 O ATOM 993 CB THR A 63 10.882 11.980 6.004 1.00 0.00 C ATOM 994 OG1 THR A 63 11.320 13.163 6.649 1.00 0.00 O ATOM 995 CG2 THR A 63 10.891 10.855 7.050 1.00 0.00 C ATOM 0 H THR A 63 13.587 12.535 5.465 1.00 0.00 H new ATOM 0 HA THR A 63 11.548 10.688 4.379 1.00 0.00 H new ATOM 0 HB THR A 63 9.875 12.098 5.605 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.729 13.361 7.405 1.00 0.00 H new ATOM 0 HG21 THR A 63 10.231 11.121 7.876 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.544 9.929 6.591 1.00 0.00 H new ATOM 0 HG23 THR A 63 11.905 10.716 7.426 1.00 0.00 H new ATOM 1003 N VAL A 64 10.540 12.386 2.887 1.00 0.00 N ATOM 1004 CA VAL A 64 10.062 13.085 1.703 1.00 0.00 C ATOM 1005 C VAL A 64 8.559 13.254 1.913 1.00 0.00 C ATOM 1006 O VAL A 64 7.938 12.339 2.455 1.00 0.00 O ATOM 1007 CB VAL A 64 10.369 12.203 0.466 1.00 0.00 C ATOM 1008 CG1 VAL A 64 9.590 12.578 -0.797 1.00 0.00 C ATOM 1009 CG2 VAL A 64 11.852 12.280 0.106 1.00 0.00 C ATOM 0 H VAL A 64 9.925 11.606 3.118 1.00 0.00 H new ATOM 0 HA VAL A 64 10.535 14.054 1.545 1.00 0.00 H new ATOM 0 HB VAL A 64 10.064 11.202 0.770 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.870 11.907 -1.610 1.00 0.00 H new ATOM 0 HG12 VAL A 64 8.521 12.489 -0.605 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.824 13.605 -1.077 1.00 0.00 H new ATOM 0 HG21 VAL A 64 12.048 11.654 -0.765 1.00 0.00 H new ATOM 0 HG22 VAL A 64 12.118 13.312 -0.122 1.00 0.00 H new ATOM 0 HG23 VAL A 64 12.449 11.928 0.947 1.00 0.00 H new ATOM 1019 N LYS A 65 7.953 14.361 1.467 1.00 0.00 N ATOM 1020 CA LYS A 65 6.506 14.561 1.517 1.00 0.00 C ATOM 1021 C LYS A 65 6.011 14.792 0.097 1.00 0.00 C ATOM 1022 O LYS A 65 6.536 15.662 -0.593 1.00 0.00 O ATOM 1023 CB LYS A 65 6.166 15.746 2.435 1.00 0.00 C ATOM 1024 CG LYS A 65 4.665 15.771 2.772 1.00 0.00 C ATOM 1025 CD LYS A 65 4.255 16.979 3.626 1.00 0.00 C ATOM 1026 CE LYS A 65 4.897 16.959 5.023 1.00 0.00 C ATOM 1027 NZ LYS A 65 4.445 18.098 5.863 1.00 0.00 N ATOM 0 H LYS A 65 8.460 15.147 1.059 1.00 0.00 H new ATOM 0 HA LYS A 65 6.010 13.683 1.931 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.747 15.677 3.354 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.449 16.680 1.949 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.092 15.779 1.845 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.403 14.855 3.301 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.540 17.897 3.112 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.170 16.995 3.729 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.650 16.022 5.521 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.982 16.991 4.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.903 18.045 6.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.703 18.994 5.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.413 18.054 5.981 1.00 0.00 H new ATOM 1041 N VAL A 66 5.030 14.018 -0.350 1.00 0.00 N ATOM 1042 CA VAL A 66 4.426 14.167 -1.668 1.00 0.00 C ATOM 1043 C VAL A 66 3.659 15.492 -1.710 1.00 0.00 C ATOM 1044 O VAL A 66 3.006 15.864 -0.731 1.00 0.00 O ATOM 1045 CB VAL A 66 3.544 12.933 -1.969 1.00 0.00 C ATOM 1046 CG1 VAL A 66 2.729 13.089 -3.265 1.00 0.00 C ATOM 1047 CG2 VAL A 66 4.429 11.684 -2.126 1.00 0.00 C ATOM 0 H VAL A 66 4.626 13.259 0.200 1.00 0.00 H new ATOM 0 HA VAL A 66 5.181 14.207 -2.453 1.00 0.00 H new ATOM 0 HB VAL A 66 2.855 12.835 -1.130 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.128 12.194 -3.427 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.073 13.956 -3.180 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.407 13.228 -4.107 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.802 10.818 -2.338 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.129 11.835 -2.948 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.984 11.513 -1.204 1.00 0.00 H new ATOM 1057 N LEU A 67 3.711 16.185 -2.854 1.00 0.00 N ATOM 1058 CA LEU A 67 3.006 17.445 -3.083 1.00 0.00 C ATOM 1059 C LEU A 67 2.027 17.300 -4.248 1.00 0.00 C ATOM 1060 O LEU A 67 0.926 17.849 -4.182 1.00 0.00 O ATOM 1061 CB LEU A 67 4.010 18.578 -3.367 1.00 0.00 C ATOM 1062 CG LEU A 67 5.056 18.809 -2.257 1.00 0.00 C ATOM 1063 CD1 LEU A 67 6.092 19.824 -2.741 1.00 0.00 C ATOM 1064 CD2 LEU A 67 4.435 19.301 -0.944 1.00 0.00 C ATOM 0 H LEU A 67 4.256 15.877 -3.660 1.00 0.00 H new ATOM 0 HA LEU A 67 2.444 17.697 -2.184 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.532 18.357 -4.298 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.457 19.504 -3.524 1.00 0.00 H new ATOM 0 HG LEU A 67 5.523 17.846 -2.050 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.833 19.989 -1.959 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.587 19.441 -3.634 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.596 20.766 -2.976 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.220 19.445 -0.202 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.921 20.246 -1.117 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.722 18.561 -0.579 1.00 0.00 H new ATOM 1076 N SER A 68 2.384 16.551 -5.296 1.00 0.00 N ATOM 1077 CA SER A 68 1.521 16.157 -6.413 1.00 0.00 C ATOM 1078 C SER A 68 2.217 15.013 -7.158 1.00 0.00 C ATOM 1079 O SER A 68 3.444 14.916 -7.095 1.00 0.00 O ATOM 1080 CB SER A 68 1.322 17.340 -7.376 1.00 0.00 C ATOM 1081 OG SER A 68 0.526 18.358 -6.794 1.00 0.00 O ATOM 0 H SER A 68 3.331 16.185 -5.393 1.00 0.00 H new ATOM 0 HA SER A 68 0.545 15.846 -6.039 1.00 0.00 H new ATOM 0 HB2 SER A 68 2.293 17.751 -7.654 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.850 16.988 -8.293 1.00 0.00 H new ATOM 0 HG SER A 68 0.339 18.132 -5.859 1.00 0.00 H new ATOM 1087 N ALA A 69 1.477 14.169 -7.884 1.00 0.00 N ATOM 1088 CA ALA A 69 2.059 13.139 -8.740 1.00 0.00 C ATOM 1089 C ALA A 69 1.098 12.748 -9.866 1.00 0.00 C ATOM 1090 O ALA A 69 -0.118 12.925 -9.736 1.00 0.00 O ATOM 1091 CB ALA A 69 2.429 11.909 -7.899 1.00 0.00 C ATOM 0 H ALA A 69 0.457 14.183 -7.892 1.00 0.00 H new ATOM 0 HA ALA A 69 2.962 13.543 -9.198 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.863 11.144 -8.544 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.154 12.194 -7.136 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.534 11.514 -7.419 1.00 0.00 H new ATOM 1097 N SER A 70 1.654 12.185 -10.941 1.00 0.00 N ATOM 1098 CA SER A 70 0.963 11.832 -12.180 1.00 0.00 C ATOM 1099 C SER A 70 1.662 10.638 -12.846 1.00 0.00 C ATOM 1100 O SER A 70 2.804 10.317 -12.507 1.00 0.00 O ATOM 1101 CB SER A 70 0.997 13.033 -13.144 1.00 0.00 C ATOM 1102 OG SER A 70 0.474 14.215 -12.554 1.00 0.00 O ATOM 0 H SER A 70 2.647 11.952 -10.971 1.00 0.00 H new ATOM 0 HA SER A 70 -0.069 11.567 -11.950 1.00 0.00 H new ATOM 0 HB2 SER A 70 2.024 13.212 -13.461 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.424 12.793 -14.040 1.00 0.00 H new ATOM 0 HG SER A 70 0.517 14.950 -13.201 1.00 0.00 H new ATOM 1108 N SER A 71 1.009 9.996 -13.817 1.00 0.00 N ATOM 1109 CA SER A 71 1.630 8.991 -14.680 1.00 0.00 C ATOM 1110 C SER A 71 2.817 9.604 -15.442 1.00 0.00 C ATOM 1111 O SER A 71 2.813 10.804 -15.736 1.00 0.00 O ATOM 1112 CB SER A 71 0.579 8.445 -15.656 1.00 0.00 C ATOM 1113 OG SER A 71 -0.596 8.050 -14.962 1.00 0.00 O ATOM 0 H SER A 71 0.025 10.161 -14.028 1.00 0.00 H new ATOM 0 HA SER A 71 2.009 8.170 -14.071 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.332 9.207 -16.395 1.00 0.00 H new ATOM 0 HB3 SER A 71 0.989 7.594 -16.200 1.00 0.00 H new ATOM 0 HG SER A 71 -1.254 7.707 -15.602 1.00 0.00 H new ATOM 1119 N TYR A 72 3.836 8.799 -15.762 1.00 0.00 N ATOM 1120 CA TYR A 72 5.016 9.295 -16.462 1.00 0.00 C ATOM 1121 C TYR A 72 4.675 9.676 -17.904 1.00 0.00 C ATOM 1122 O TYR A 72 3.873 9.010 -18.565 1.00 0.00 O ATOM 1123 CB TYR A 72 6.143 8.251 -16.443 1.00 0.00 C ATOM 1124 CG TYR A 72 7.333 8.615 -17.315 1.00 0.00 C ATOM 1125 CD1 TYR A 72 8.286 9.546 -16.858 1.00 0.00 C ATOM 1126 CD2 TYR A 72 7.456 8.070 -18.609 1.00 0.00 C ATOM 1127 CE1 TYR A 72 9.359 9.928 -17.683 1.00 0.00 C ATOM 1128 CE2 TYR A 72 8.528 8.445 -19.437 1.00 0.00 C ATOM 1129 CZ TYR A 72 9.490 9.370 -18.975 1.00 0.00 C ATOM 1130 OH TYR A 72 10.539 9.707 -19.779 1.00 0.00 O ATOM 0 H TYR A 72 3.863 7.803 -15.546 1.00 0.00 H new ATOM 0 HA TYR A 72 5.361 10.188 -15.940 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.484 8.118 -15.416 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.743 7.292 -16.773 1.00 0.00 H new ATOM 0 HD1 TYR A 72 8.192 9.969 -15.869 1.00 0.00 H new ATOM 0 HD2 TYR A 72 6.723 7.361 -18.966 1.00 0.00 H new ATOM 0 HE1 TYR A 72 10.083 10.648 -17.329 1.00 0.00 H new ATOM 0 HE2 TYR A 72 8.616 8.025 -20.428 1.00 0.00 H new ATOM 0 HH TYR A 72 10.467 9.226 -20.630 1.00 0.00 H new ATOM 1140 N SER A 73 5.317 10.731 -18.402 1.00 0.00 N ATOM 1141 CA SER A 73 5.373 11.115 -19.803 1.00 0.00 C ATOM 1142 C SER A 73 6.633 11.983 -19.946 1.00 0.00 C ATOM 1143 O SER A 73 6.895 12.780 -19.043 1.00 0.00 O ATOM 1144 CB SER A 73 4.107 11.889 -20.185 1.00 0.00 C ATOM 1145 OG SER A 73 2.987 11.025 -20.228 1.00 0.00 O ATOM 0 H SER A 73 5.838 11.372 -17.804 1.00 0.00 H new ATOM 0 HA SER A 73 5.421 10.253 -20.468 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.930 12.686 -19.463 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.244 12.364 -21.157 1.00 0.00 H new ATOM 0 HG SER A 73 3.200 10.190 -19.762 1.00 0.00 H new ATOM 1151 N PRO A 74 7.421 11.858 -21.027 1.00 0.00 N ATOM 1152 CA PRO A 74 8.735 12.492 -21.112 1.00 0.00 C ATOM 1153 C PRO A 74 8.644 14.019 -21.081 1.00 0.00 C ATOM 1154 O PRO A 74 9.339 14.666 -20.299 1.00 0.00 O ATOM 1155 CB PRO A 74 9.365 11.981 -22.413 1.00 0.00 C ATOM 1156 CG PRO A 74 8.193 11.437 -23.232 1.00 0.00 C ATOM 1157 CD PRO A 74 7.186 10.996 -22.174 1.00 0.00 C ATOM 0 HA PRO A 74 9.349 12.233 -20.249 1.00 0.00 H new ATOM 0 HB2 PRO A 74 9.880 12.782 -22.944 1.00 0.00 H new ATOM 0 HB3 PRO A 74 10.103 11.204 -22.216 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.775 12.200 -23.889 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.499 10.604 -23.865 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.164 11.099 -22.539 1.00 0.00 H new ATOM 0 HD3 PRO A 74 7.327 9.947 -21.912 1.00 0.00 H new ATOM 1165 N ASP A 75 7.759 14.591 -21.898 1.00 0.00 N ATOM 1166 CA ASP A 75 7.520 16.034 -21.940 1.00 0.00 C ATOM 1167 C ASP A 75 7.068 16.550 -20.573 1.00 0.00 C ATOM 1168 O ASP A 75 7.559 17.572 -20.095 1.00 0.00 O ATOM 1169 CB ASP A 75 6.455 16.342 -22.999 1.00 0.00 C ATOM 1170 CG ASP A 75 5.944 17.787 -22.891 1.00 0.00 C ATOM 1171 OD1 ASP A 75 6.630 18.711 -23.384 1.00 0.00 O ATOM 1172 OD2 ASP A 75 4.839 17.987 -22.341 1.00 0.00 O ATOM 0 H ASP A 75 7.184 14.062 -22.554 1.00 0.00 H new ATOM 0 HA ASP A 75 8.451 16.538 -22.201 1.00 0.00 H new ATOM 0 HB2 ASP A 75 6.872 16.177 -23.992 1.00 0.00 H new ATOM 0 HB3 ASP A 75 5.619 15.651 -22.886 1.00 0.00 H new ATOM 1177 N GLU A 76 6.156 15.821 -19.927 1.00 0.00 N ATOM 1178 CA GLU A 76 5.572 16.224 -18.657 1.00 0.00 C ATOM 1179 C GLU A 76 6.589 16.107 -17.518 1.00 0.00 C ATOM 1180 O GLU A 76 6.551 16.904 -16.579 1.00 0.00 O ATOM 1181 CB GLU A 76 4.300 15.394 -18.416 1.00 0.00 C ATOM 1182 CG GLU A 76 3.382 15.985 -17.334 1.00 0.00 C ATOM 1183 CD GLU A 76 1.904 15.971 -17.762 1.00 0.00 C ATOM 1184 OE1 GLU A 76 1.493 16.891 -18.508 1.00 0.00 O ATOM 1185 OE2 GLU A 76 1.149 15.063 -17.348 1.00 0.00 O ATOM 0 H GLU A 76 5.803 14.930 -20.277 1.00 0.00 H new ATOM 0 HA GLU A 76 5.291 17.277 -18.689 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.744 15.315 -19.350 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.584 14.382 -18.128 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.498 15.417 -16.411 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.688 17.009 -17.119 1.00 0.00 H new ATOM 1192 N TRP A 77 7.518 15.151 -17.599 1.00 0.00 N ATOM 1193 CA TRP A 77 8.643 15.046 -16.682 1.00 0.00 C ATOM 1194 C TRP A 77 9.549 16.257 -16.880 1.00 0.00 C ATOM 1195 O TRP A 77 9.792 16.980 -15.918 1.00 0.00 O ATOM 1196 CB TRP A 77 9.385 13.721 -16.915 1.00 0.00 C ATOM 1197 CG TRP A 77 10.719 13.546 -16.252 1.00 0.00 C ATOM 1198 CD1 TRP A 77 11.821 13.103 -16.890 1.00 0.00 C ATOM 1199 CD2 TRP A 77 11.140 13.770 -14.868 1.00 0.00 C ATOM 1200 NE1 TRP A 77 12.895 13.070 -16.028 1.00 0.00 N ATOM 1201 CE2 TRP A 77 12.533 13.463 -14.759 1.00 0.00 C ATOM 1202 CE3 TRP A 77 10.498 14.211 -13.693 1.00 0.00 C ATOM 1203 CZ2 TRP A 77 13.244 13.600 -13.555 1.00 0.00 C ATOM 1204 CZ3 TRP A 77 11.194 14.320 -12.475 1.00 0.00 C ATOM 1205 CH2 TRP A 77 12.564 14.022 -12.403 1.00 0.00 C ATOM 0 H TRP A 77 7.505 14.423 -18.313 1.00 0.00 H new ATOM 0 HA TRP A 77 8.298 15.042 -15.648 1.00 0.00 H new ATOM 0 HB2 TRP A 77 8.736 12.910 -16.584 1.00 0.00 H new ATOM 0 HB3 TRP A 77 9.525 13.599 -17.989 1.00 0.00 H new ATOM 0 HD1 TRP A 77 11.857 12.815 -17.930 1.00 0.00 H new ATOM 0 HE1 TRP A 77 13.839 12.790 -16.296 1.00 0.00 H new ATOM 0 HE3 TRP A 77 9.450 14.471 -13.728 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 14.301 13.383 -13.517 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 10.669 14.636 -11.586 1.00 0.00 H new ATOM 0 HH2 TRP A 77 13.092 14.117 -11.465 1.00 0.00 H new ATOM 1216 N GLU A 78 9.992 16.531 -18.113 1.00 0.00 N ATOM 1217 CA GLU A 78 10.956 17.596 -18.374 1.00 0.00 C ATOM 1218 C GLU A 78 10.408 18.977 -18.031 1.00 0.00 C ATOM 1219 O GLU A 78 11.155 19.855 -17.593 1.00 0.00 O ATOM 1220 CB GLU A 78 11.452 17.538 -19.826 1.00 0.00 C ATOM 1221 CG GLU A 78 12.395 16.349 -20.061 1.00 0.00 C ATOM 1222 CD GLU A 78 12.969 16.357 -21.489 1.00 0.00 C ATOM 1223 OE1 GLU A 78 12.345 15.789 -22.415 1.00 0.00 O ATOM 1224 OE2 GLU A 78 14.070 16.915 -21.700 1.00 0.00 O ATOM 0 H GLU A 78 9.694 16.025 -18.947 1.00 0.00 H new ATOM 0 HA GLU A 78 11.806 17.427 -17.713 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.598 17.463 -20.499 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.969 18.466 -20.070 1.00 0.00 H new ATOM 0 HG2 GLU A 78 13.211 16.383 -19.340 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.857 15.417 -19.890 1.00 0.00 H new ATOM 1231 N ARG A 79 9.105 19.182 -18.195 1.00 0.00 N ATOM 1232 CA ARG A 79 8.419 20.363 -17.696 1.00 0.00 C ATOM 1233 C ARG A 79 8.541 20.434 -16.177 1.00 0.00 C ATOM 1234 O ARG A 79 9.008 21.443 -15.651 1.00 0.00 O ATOM 1235 CB ARG A 79 6.953 20.269 -18.131 1.00 0.00 C ATOM 1236 CG ARG A 79 6.731 20.859 -19.534 1.00 0.00 C ATOM 1237 CD ARG A 79 5.470 20.307 -20.208 1.00 0.00 C ATOM 1238 NE ARG A 79 4.268 20.404 -19.359 1.00 0.00 N ATOM 1239 CZ ARG A 79 3.330 19.455 -19.250 1.00 0.00 C ATOM 1240 NH1 ARG A 79 3.293 18.406 -20.062 1.00 0.00 N ATOM 1241 NH2 ARG A 79 2.408 19.521 -18.299 1.00 0.00 N ATOM 0 H ARG A 79 8.493 18.527 -18.682 1.00 0.00 H new ATOM 0 HA ARG A 79 8.864 21.272 -18.101 1.00 0.00 H new ATOM 0 HB2 ARG A 79 6.638 19.226 -18.122 1.00 0.00 H new ATOM 0 HB3 ARG A 79 6.327 20.797 -17.412 1.00 0.00 H new ATOM 0 HG2 ARG A 79 6.655 21.944 -19.461 1.00 0.00 H new ATOM 0 HG3 ARG A 79 7.598 20.641 -20.158 1.00 0.00 H new ATOM 0 HD2 ARG A 79 5.295 20.849 -21.137 1.00 0.00 H new ATOM 0 HD3 ARG A 79 5.636 19.263 -20.474 1.00 0.00 H new ATOM 0 HE ARG A 79 4.142 21.257 -18.815 1.00 0.00 H new ATOM 0 HH11 ARG A 79 3.993 18.305 -20.797 1.00 0.00 H new ATOM 0 HH12 ARG A 79 2.564 17.701 -19.951 1.00 0.00 H new ATOM 0 HH21 ARG A 79 2.409 20.301 -17.641 1.00 0.00 H new ATOM 0 HH22 ARG A 79 1.698 18.792 -18.225 1.00 0.00 H new ATOM 1255 N GLN A 80 8.149 19.377 -15.463 1.00 0.00 N ATOM 1256 CA GLN A 80 8.147 19.380 -14.005 1.00 0.00 C ATOM 1257 C GLN A 80 9.562 19.501 -13.423 1.00 0.00 C ATOM 1258 O GLN A 80 9.701 20.094 -12.357 1.00 0.00 O ATOM 1259 CB GLN A 80 7.389 18.159 -13.462 1.00 0.00 C ATOM 1260 CG GLN A 80 5.876 18.311 -13.685 1.00 0.00 C ATOM 1261 CD GLN A 80 5.108 17.037 -13.344 1.00 0.00 C ATOM 1262 OE1 GLN A 80 4.619 16.853 -12.232 1.00 0.00 O ATOM 1263 NE2 GLN A 80 4.982 16.139 -14.305 1.00 0.00 N ATOM 0 H GLN A 80 7.827 18.503 -15.878 1.00 0.00 H new ATOM 0 HA GLN A 80 7.614 20.271 -13.673 1.00 0.00 H new ATOM 0 HB2 GLN A 80 7.745 17.255 -13.957 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.594 18.042 -12.398 1.00 0.00 H new ATOM 0 HG2 GLN A 80 5.502 19.132 -13.074 1.00 0.00 H new ATOM 0 HG3 GLN A 80 5.690 18.577 -14.725 1.00 0.00 H new ATOM 0 HE21 GLN A 80 5.396 16.311 -15.221 1.00 0.00 H new ATOM 0 HE22 GLN A 80 4.471 15.274 -14.131 1.00 0.00 H new ATOM 1272 N CYS A 81 10.618 19.059 -14.119 1.00 0.00 N ATOM 1273 CA CYS A 81 12.007 19.235 -13.686 1.00 0.00 C ATOM 1274 C CYS A 81 12.328 20.696 -13.356 1.00 0.00 C ATOM 1275 O CYS A 81 13.148 20.968 -12.477 1.00 0.00 O ATOM 1276 CB CYS A 81 12.977 18.780 -14.785 1.00 0.00 C ATOM 1277 SG CYS A 81 12.850 17.003 -15.119 1.00 0.00 S ATOM 0 H CYS A 81 10.529 18.565 -15.007 1.00 0.00 H new ATOM 0 HA CYS A 81 12.127 18.629 -12.788 1.00 0.00 H new ATOM 0 HB2 CYS A 81 12.772 19.335 -15.700 1.00 0.00 H new ATOM 0 HB3 CYS A 81 13.998 19.020 -14.488 1.00 0.00 H new ATOM 0 HG CYS A 81 13.475 16.341 -14.191 1.00 0.00 H new ATOM 1283 N LYS A 82 11.670 21.642 -14.041 1.00 0.00 N ATOM 1284 CA LYS A 82 11.896 23.067 -13.854 1.00 0.00 C ATOM 1285 C LYS A 82 11.589 23.488 -12.426 1.00 0.00 C ATOM 1286 O LYS A 82 12.201 24.438 -11.944 1.00 0.00 O ATOM 1287 CB LYS A 82 11.048 23.900 -14.830 1.00 0.00 C ATOM 1288 CG LYS A 82 11.404 23.651 -16.304 1.00 0.00 C ATOM 1289 CD LYS A 82 10.427 24.312 -17.287 1.00 0.00 C ATOM 1290 CE LYS A 82 10.439 25.845 -17.179 1.00 0.00 C ATOM 1291 NZ LYS A 82 9.525 26.485 -18.159 1.00 0.00 N ATOM 0 H LYS A 82 10.962 21.429 -14.744 1.00 0.00 H new ATOM 0 HA LYS A 82 12.950 23.254 -14.059 1.00 0.00 H new ATOM 0 HB2 LYS A 82 9.994 23.670 -14.673 1.00 0.00 H new ATOM 0 HB3 LYS A 82 11.180 24.958 -14.605 1.00 0.00 H new ATOM 0 HG2 LYS A 82 12.410 24.025 -16.496 1.00 0.00 H new ATOM 0 HG3 LYS A 82 11.423 22.577 -16.489 1.00 0.00 H new ATOM 0 HD2 LYS A 82 10.686 24.020 -18.305 1.00 0.00 H new ATOM 0 HD3 LYS A 82 9.419 23.944 -17.096 1.00 0.00 H new ATOM 0 HE2 LYS A 82 10.150 26.138 -16.170 1.00 0.00 H new ATOM 0 HE3 LYS A 82 11.453 26.211 -17.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 9.566 27.518 -18.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 9.815 26.228 -19.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 8.552 26.158 -17.991 1.00 0.00 H new ATOM 1305 N VAL A 83 10.663 22.811 -11.741 1.00 0.00 N ATOM 1306 CA VAL A 83 10.175 23.258 -10.447 1.00 0.00 C ATOM 1307 C VAL A 83 11.304 23.239 -9.406 1.00 0.00 C ATOM 1308 O VAL A 83 11.338 24.121 -8.545 1.00 0.00 O ATOM 1309 CB VAL A 83 8.941 22.426 -10.026 1.00 0.00 C ATOM 1310 CG1 VAL A 83 8.385 22.844 -8.655 1.00 0.00 C ATOM 1311 CG2 VAL A 83 7.803 22.562 -11.055 1.00 0.00 C ATOM 0 H VAL A 83 10.237 21.945 -12.071 1.00 0.00 H new ATOM 0 HA VAL A 83 9.845 24.294 -10.519 1.00 0.00 H new ATOM 0 HB VAL A 83 9.289 21.394 -9.970 1.00 0.00 H new ATOM 0 HG11 VAL A 83 7.520 22.228 -8.410 1.00 0.00 H new ATOM 0 HG12 VAL A 83 9.154 22.710 -7.894 1.00 0.00 H new ATOM 0 HG13 VAL A 83 8.086 23.892 -8.688 1.00 0.00 H new ATOM 0 HG21 VAL A 83 6.949 21.967 -10.733 1.00 0.00 H new ATOM 0 HG22 VAL A 83 7.507 23.608 -11.134 1.00 0.00 H new ATOM 0 HG23 VAL A 83 8.147 22.208 -12.027 1.00 0.00 H new ATOM 1321 N ALA A 84 12.238 22.283 -9.490 1.00 0.00 N ATOM 1322 CA ALA A 84 13.332 22.169 -8.531 1.00 0.00 C ATOM 1323 C ALA A 84 14.389 23.259 -8.752 1.00 0.00 C ATOM 1324 O ALA A 84 14.836 23.889 -7.793 1.00 0.00 O ATOM 1325 CB ALA A 84 13.969 20.779 -8.661 1.00 0.00 C ATOM 0 H ALA A 84 12.253 21.573 -10.222 1.00 0.00 H new ATOM 0 HA ALA A 84 12.930 22.302 -7.527 1.00 0.00 H new ATOM 0 HB1 ALA A 84 14.788 20.686 -7.947 1.00 0.00 H new ATOM 0 HB2 ALA A 84 13.220 20.015 -8.455 1.00 0.00 H new ATOM 0 HB3 ALA A 84 14.353 20.648 -9.673 1.00 0.00 H new ATOM 1331 N GLY A 85 14.793 23.486 -10.006 1.00 0.00 N ATOM 1332 CA GLY A 85 15.942 24.333 -10.335 1.00 0.00 C ATOM 1333 C GLY A 85 15.563 25.745 -10.780 1.00 0.00 C ATOM 1334 O GLY A 85 16.452 26.569 -11.012 1.00 0.00 O ATOM 0 H GLY A 85 14.331 23.086 -10.823 1.00 0.00 H new ATOM 0 HA2 GLY A 85 16.593 24.400 -9.463 1.00 0.00 H new ATOM 0 HA3 GLY A 85 16.518 23.855 -11.127 1.00 0.00 H new ATOM 1338 N LYS A 86 14.265 26.031 -10.941 1.00 0.00 N ATOM 1339 CA LYS A 86 13.720 27.243 -11.569 1.00 0.00 C ATOM 1340 C LYS A 86 14.305 27.444 -12.972 1.00 0.00 C ATOM 1341 O LYS A 86 14.342 28.559 -13.496 1.00 0.00 O ATOM 1342 CB LYS A 86 13.839 28.465 -10.633 1.00 0.00 C ATOM 1343 CG LYS A 86 13.360 28.225 -9.187 1.00 0.00 C ATOM 1344 CD LYS A 86 11.951 27.616 -9.095 1.00 0.00 C ATOM 1345 CE LYS A 86 11.548 27.414 -7.629 1.00 0.00 C ATOM 1346 NZ LYS A 86 10.347 26.552 -7.509 1.00 0.00 N ATOM 0 H LYS A 86 13.533 25.396 -10.623 1.00 0.00 H new ATOM 0 HA LYS A 86 12.648 27.116 -11.722 1.00 0.00 H new ATOM 0 HB2 LYS A 86 14.881 28.784 -10.607 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.264 29.288 -11.059 1.00 0.00 H new ATOM 0 HG2 LYS A 86 14.066 27.563 -8.685 1.00 0.00 H new ATOM 0 HG3 LYS A 86 13.373 29.172 -8.648 1.00 0.00 H new ATOM 0 HD2 LYS A 86 11.233 28.270 -9.589 1.00 0.00 H new ATOM 0 HD3 LYS A 86 11.926 26.661 -9.620 1.00 0.00 H new ATOM 0 HE2 LYS A 86 12.376 26.964 -7.082 1.00 0.00 H new ATOM 0 HE3 LYS A 86 11.350 28.382 -7.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 10.012 26.559 -6.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 9.597 26.913 -8.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 10.589 25.579 -7.785 1.00 0.00 H new ATOM 1360 N THR A 87 14.761 26.338 -13.558 1.00 0.00 N ATOM 1361 CA THR A 87 15.518 26.225 -14.786 1.00 0.00 C ATOM 1362 C THR A 87 15.333 24.767 -15.225 1.00 0.00 C ATOM 1363 O THR A 87 15.302 23.880 -14.365 1.00 0.00 O ATOM 1364 CB THR A 87 17.019 26.521 -14.533 1.00 0.00 C ATOM 1365 OG1 THR A 87 17.247 27.559 -13.592 1.00 0.00 O ATOM 1366 CG2 THR A 87 17.732 26.913 -15.832 1.00 0.00 C ATOM 0 H THR A 87 14.591 25.422 -13.142 1.00 0.00 H new ATOM 0 HA THR A 87 15.180 26.935 -15.541 1.00 0.00 H new ATOM 0 HB THR A 87 17.418 25.592 -14.127 1.00 0.00 H new ATOM 0 HG1 THR A 87 16.984 27.254 -12.699 1.00 0.00 H new ATOM 0 HG21 THR A 87 18.783 27.115 -15.624 1.00 0.00 H new ATOM 0 HG22 THR A 87 17.655 26.097 -16.550 1.00 0.00 H new ATOM 0 HG23 THR A 87 17.266 27.807 -16.247 1.00 0.00 H new ATOM 1374 N GLN A 88 15.178 24.506 -16.526 1.00 0.00 N ATOM 1375 CA GLN A 88 15.070 23.141 -17.029 1.00 0.00 C ATOM 1376 C GLN A 88 16.445 22.474 -16.961 1.00 0.00 C ATOM 1377 O GLN A 88 16.533 21.331 -16.470 1.00 0.00 O ATOM 1378 CB GLN A 88 14.477 23.138 -18.449 1.00 0.00 C ATOM 1379 CG GLN A 88 14.034 21.731 -18.873 1.00 0.00 C ATOM 1380 CD GLN A 88 13.106 21.777 -20.091 1.00 0.00 C ATOM 1381 OE1 GLN A 88 13.488 22.204 -21.179 1.00 0.00 O ATOM 1382 NE2 GLN A 88 11.860 21.360 -19.929 1.00 0.00 N ATOM 1383 OXT GLN A 88 17.438 23.096 -17.396 1.00 0.00 O ATOM 0 H GLN A 88 15.125 25.225 -17.247 1.00 0.00 H new ATOM 0 HA GLN A 88 14.386 22.562 -16.408 1.00 0.00 H new ATOM 0 HB2 GLN A 88 13.625 23.816 -18.489 1.00 0.00 H new ATOM 0 HB3 GLN A 88 15.218 23.515 -19.154 1.00 0.00 H new ATOM 0 HG2 GLN A 88 14.911 21.127 -19.105 1.00 0.00 H new ATOM 0 HG3 GLN A 88 13.522 21.244 -18.043 1.00 0.00 H new ATOM 0 HE21 GLN A 88 11.554 21.008 -19.022 1.00 0.00 H new ATOM 0 HE22 GLN A 88 11.206 21.391 -20.711 1.00 0.00 H new TER 1392 GLN A 88