USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 880 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 7 ASN : amide:sc= -1.79 K(o=-0.57,f=-6.2!) USER MOD Set 1.2: B 5 U O2' : rot -34:sc= 1.22 USER MOD Set 2.1: A 50 LYS NZ :NH3+ -176:sc= -0.173 (180deg=-0.375) USER MOD Set 2.2: B 1 A O2' : rot 2:sc= 0.411 USER MOD Set 3.1: A 91 ASN : amide:sc= -0.282 X(o=-0.37,f=-0.14) USER MOD Set 3.2: A 104 MET CE :methyl -154:sc= -0.0838 (180deg=-0.306) USER MOD Set 4.1: A 59 ASN : amide:sc= 0.456 K(o=-0.73,f=-12!) USER MOD Set 4.2: A 62 ASN : amide:sc= -1.19 K(o=-0.73,f=-4.4!) USER MOD Set 5.1: A 4 ASN : amide:sc= 0.533 K(o=1.4,f=-4.4) USER MOD Set 5.2: A 30 LYS NZ :NH3+ 169:sc= 0.906 (180deg=0) USER MOD Set 6.1: A 16 SER OG : rot 180:sc= -0.366 USER MOD Set 6.2: A 56 GLN : amide:sc= -0.347 K(o=-0.71,f=0.65) USER MOD Set 7.1: A 6 THR OG1 : rot 77:sc= 1.15 USER MOD Set 7.2: A 47 SER OG : rot 104:sc= 0.281 USER MOD Set 7.3: A 49 HIS : no HE2:sc= -2.42 X(o=-0.99,f=-0.58) USER MOD Single : A 3 SER OG : rot 170:sc= -0.0487 USER MOD Single : A 8 LYS NZ :NH3+ -158:sc= -0.0671 (180deg=-0.409) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0.632 USER MOD Single : A 14 MET CE :methyl 180:sc= -0.606 (180deg=-0.606) USER MOD Single : A 15 ASN : amide:sc= 0.945 K(o=0.95,f=-3.9!) USER MOD Single : A 22 ASN : amide:sc= 0.761 K(o=0.76,f=-0.1) USER MOD Single : A 24 ASN : amide:sc= -3.11! C(o=-3.1!,f=-4.9!) USER MOD Single : A 25 THR OG1 : rot 73:sc= 0.545 USER MOD Single : A 29 LYS NZ :NH3+ 150:sc= 1.2 (180deg=0.295) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -27:sc= 0.279 USER MOD Single : A 39 LYS NZ :NH3+ -168:sc= 0.922 (180deg=0.737) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 160:sc= -0.13 USER MOD Single : A 57 TYR OH : rot -24:sc= 0.834 USER MOD Single : A 74 MET CE :methyl -141:sc= -0.12 (180deg=-1.1) USER MOD Single : A 78 GLN : amide:sc= -2.77 K(o=-2.8,f=-1.9) USER MOD Single : A 83 ASN : amide:sc= 0.522 K(o=0.52,f=-1.1) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -172:sc=-0.00108 (180deg=-0.0847) USER MOD Single : A 98 LYS NZ :NH3+ 168:sc=-0.00285 (180deg=-0.142) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 A O5' : rot -76:sc= 0.482 USER MOD Single : B 2 U O2' : rot 21:sc= 0.136 USER MOD Single : B 3 U O2' : rot -36:sc= 1.19 USER MOD Single : B 4 U O2' : rot 16:sc= 0.215 USER MOD Single : B 6 U O2' : rot 152:sc= 0.893 USER MOD Single : B 7 C O2' : rot 169:sc= 0.151 USER MOD Single : B 7 C O3' : rot 135:sc= 0.137 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 0.969 12.015 -6.536 1.00 0.00 N ATOM 2 CA ALA A 2 0.083 12.470 -5.448 1.00 0.00 C ATOM 3 C ALA A 2 0.875 12.684 -4.160 1.00 0.00 C ATOM 4 O ALA A 2 2.036 12.289 -4.067 1.00 0.00 O ATOM 5 CB ALA A 2 -1.056 11.470 -5.228 1.00 0.00 C ATOM 0 HA ALA A 2 -0.354 13.425 -5.738 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.699 11.823 -4.422 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -1.640 11.377 -6.144 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -0.641 10.498 -4.962 1.00 0.00 H new ATOM 12 N SER A 3 0.246 13.316 -3.161 1.00 0.00 N ATOM 13 CA SER A 3 0.888 13.595 -1.884 1.00 0.00 C ATOM 14 C SER A 3 1.048 12.320 -1.057 1.00 0.00 C ATOM 15 O SER A 3 0.569 11.253 -1.440 1.00 0.00 O ATOM 16 CB SER A 3 0.069 14.648 -1.133 1.00 0.00 C ATOM 17 OG SER A 3 0.776 15.088 0.007 1.00 0.00 O ATOM 0 H SER A 3 -0.718 13.644 -3.221 1.00 0.00 H new ATOM 0 HA SER A 3 1.890 13.984 -2.062 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.141 15.493 -1.789 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.892 14.229 -0.835 1.00 0.00 H new ATOM 0 HG SER A 3 0.325 15.869 0.390 1.00 0.00 H new ATOM 23 N ASN A 4 1.726 12.433 0.088 1.00 0.00 N ATOM 24 CA ASN A 4 2.024 11.309 0.963 1.00 0.00 C ATOM 25 C ASN A 4 1.281 11.425 2.296 1.00 0.00 C ATOM 26 O ASN A 4 1.638 10.751 3.261 1.00 0.00 O ATOM 27 CB ASN A 4 3.542 11.232 1.163 1.00 0.00 C ATOM 28 CG ASN A 4 3.991 9.934 1.822 1.00 0.00 C ATOM 29 OD1 ASN A 4 3.343 8.896 1.687 1.00 0.00 O ATOM 30 ND2 ASN A 4 5.108 9.985 2.542 1.00 0.00 N ATOM 0 H ASN A 4 2.086 13.323 0.433 1.00 0.00 H new ATOM 0 HA ASN A 4 1.677 10.385 0.500 1.00 0.00 H new ATOM 0 HB2 ASN A 4 4.036 11.332 0.196 1.00 0.00 H new ATOM 0 HB3 ASN A 4 3.865 12.074 1.775 1.00 0.00 H new ATOM 0 HD21 ASN A 4 5.455 9.145 3.005 1.00 0.00 H new ATOM 0 HD22 ASN A 4 5.618 10.864 2.631 1.00 0.00 H new ATOM 37 N VAL A 5 0.255 12.278 2.364 1.00 0.00 N ATOM 38 CA VAL A 5 -0.458 12.544 3.604 1.00 0.00 C ATOM 39 C VAL A 5 -1.942 12.263 3.417 1.00 0.00 C ATOM 40 O VAL A 5 -2.532 12.652 2.409 1.00 0.00 O ATOM 41 CB VAL A 5 -0.147 13.970 4.069 1.00 0.00 C ATOM 42 CG1 VAL A 5 -0.912 15.002 3.244 1.00 0.00 C ATOM 43 CG2 VAL A 5 -0.483 14.133 5.549 1.00 0.00 C ATOM 0 H VAL A 5 -0.099 12.799 1.561 1.00 0.00 H new ATOM 0 HA VAL A 5 -0.124 11.877 4.399 1.00 0.00 H new ATOM 0 HB VAL A 5 0.920 14.141 3.924 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.670 16.004 3.599 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.630 14.911 2.195 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.983 14.830 3.348 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.256 15.152 5.864 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.543 13.932 5.706 1.00 0.00 H new ATOM 0 HG23 VAL A 5 0.110 13.432 6.136 1.00 0.00 H new ATOM 53 N THR A 6 -2.545 11.583 4.392 1.00 0.00 N ATOM 54 CA THR A 6 -3.940 11.162 4.332 1.00 0.00 C ATOM 55 C THR A 6 -4.593 11.136 5.719 1.00 0.00 C ATOM 56 O THR A 6 -5.686 10.597 5.856 1.00 0.00 O ATOM 57 CB THR A 6 -4.053 9.773 3.692 1.00 0.00 C ATOM 58 OG1 THR A 6 -3.365 8.824 4.481 1.00 0.00 O ATOM 59 CG2 THR A 6 -3.429 9.713 2.302 1.00 0.00 C ATOM 0 H THR A 6 -2.072 11.307 5.253 1.00 0.00 H new ATOM 0 HA THR A 6 -4.468 11.895 3.721 1.00 0.00 H new ATOM 0 HB THR A 6 -5.119 9.559 3.621 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.903 8.602 5.269 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.538 8.707 1.897 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.932 10.424 1.647 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.371 9.965 2.367 1.00 0.00 H new ATOM 67 N ASN A 7 -3.953 11.701 6.751 1.00 0.00 N ATOM 68 CA ASN A 7 -4.455 11.611 8.121 1.00 0.00 C ATOM 69 C ASN A 7 -5.115 12.899 8.628 1.00 0.00 C ATOM 70 O ASN A 7 -5.254 13.085 9.837 1.00 0.00 O ATOM 71 CB ASN A 7 -3.358 11.076 9.048 1.00 0.00 C ATOM 72 CG ASN A 7 -2.296 12.104 9.424 1.00 0.00 C ATOM 73 OD1 ASN A 7 -2.360 13.269 9.040 1.00 0.00 O ATOM 74 ND2 ASN A 7 -1.300 11.667 10.190 1.00 0.00 N ATOM 0 H ASN A 7 -3.084 12.226 6.658 1.00 0.00 H new ATOM 0 HA ASN A 7 -5.274 10.892 8.123 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -3.821 10.700 9.960 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -2.872 10.229 8.564 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -0.559 12.306 10.476 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -1.278 10.693 10.491 1.00 0.00 H new ATOM 81 N LYS A 8 -5.522 13.788 7.713 1.00 0.00 N ATOM 82 CA LYS A 8 -6.216 15.030 8.053 1.00 0.00 C ATOM 83 C LYS A 8 -7.579 14.719 8.678 1.00 0.00 C ATOM 84 O LYS A 8 -8.008 13.564 8.700 1.00 0.00 O ATOM 85 CB LYS A 8 -6.386 15.885 6.791 1.00 0.00 C ATOM 86 CG LYS A 8 -5.175 16.767 6.452 1.00 0.00 C ATOM 87 CD LYS A 8 -3.865 15.997 6.241 1.00 0.00 C ATOM 88 CE LYS A 8 -3.127 15.736 7.558 1.00 0.00 C ATOM 89 NZ LYS A 8 -2.653 16.990 8.175 1.00 0.00 N ATOM 0 H LYS A 8 -5.377 13.662 6.711 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.624 15.586 8.780 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.588 15.227 5.946 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.261 16.523 6.915 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.397 17.335 5.549 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.032 17.489 7.256 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.079 15.047 5.752 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.218 16.562 5.570 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.790 15.218 8.250 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.278 15.077 7.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.869 16.782 8.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.323 17.639 7.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.432 17.434 8.701 1.00 0.00 H new ATOM 103 N THR A 9 -8.267 15.740 9.186 1.00 0.00 N ATOM 104 CA THR A 9 -9.566 15.570 9.835 1.00 0.00 C ATOM 105 C THR A 9 -10.564 16.638 9.391 1.00 0.00 C ATOM 106 O THR A 9 -11.511 16.943 10.115 1.00 0.00 O ATOM 107 CB THR A 9 -9.409 15.552 11.359 1.00 0.00 C ATOM 108 OG1 THR A 9 -8.743 16.720 11.785 1.00 0.00 O ATOM 109 CG2 THR A 9 -8.605 14.332 11.800 1.00 0.00 C ATOM 0 H THR A 9 -7.941 16.706 9.160 1.00 0.00 H new ATOM 0 HA THR A 9 -9.971 14.607 9.523 1.00 0.00 H new ATOM 0 HB THR A 9 -10.402 15.507 11.806 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.647 16.704 12.760 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.504 14.336 12.885 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.120 13.424 11.487 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.616 14.364 11.343 1.00 0.00 H new ATOM 117 N ASP A 10 -10.363 17.216 8.201 1.00 0.00 N ATOM 118 CA ASP A 10 -11.249 18.245 7.676 1.00 0.00 C ATOM 119 C ASP A 10 -12.629 17.662 7.360 1.00 0.00 C ATOM 120 O ASP A 10 -12.743 16.472 7.066 1.00 0.00 O ATOM 121 CB ASP A 10 -10.621 18.869 6.430 1.00 0.00 C ATOM 122 CG ASP A 10 -9.339 19.622 6.771 1.00 0.00 C ATOM 123 OD1 ASP A 10 -9.455 20.797 7.186 1.00 0.00 O ATOM 124 OD2 ASP A 10 -8.256 19.014 6.618 1.00 0.00 O ATOM 0 H ASP A 10 -9.586 16.981 7.584 1.00 0.00 H new ATOM 0 HA ASP A 10 -11.384 19.020 8.430 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -10.403 18.089 5.701 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -11.333 19.551 5.965 1.00 0.00 H new ATOM 129 N PRO A 11 -13.679 18.490 7.416 1.00 0.00 N ATOM 130 CA PRO A 11 -15.064 18.065 7.259 1.00 0.00 C ATOM 131 C PRO A 11 -15.375 17.539 5.856 1.00 0.00 C ATOM 132 O PRO A 11 -16.461 17.004 5.635 1.00 0.00 O ATOM 133 CB PRO A 11 -15.898 19.305 7.575 1.00 0.00 C ATOM 134 CG PRO A 11 -14.966 20.461 7.227 1.00 0.00 C ATOM 135 CD PRO A 11 -13.603 19.921 7.651 1.00 0.00 C ATOM 0 HA PRO A 11 -15.285 17.229 7.922 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -16.813 19.335 6.983 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -16.196 19.332 8.623 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -14.995 20.701 6.164 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -15.228 21.371 7.766 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -12.800 20.375 7.070 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.400 20.139 8.700 1.00 0.00 H new ATOM 143 N ARG A 12 -14.443 17.682 4.908 1.00 0.00 N ATOM 144 CA ARG A 12 -14.616 17.160 3.554 1.00 0.00 C ATOM 145 C ARG A 12 -13.496 16.198 3.176 1.00 0.00 C ATOM 146 O ARG A 12 -13.565 15.557 2.130 1.00 0.00 O ATOM 147 CB ARG A 12 -14.777 18.319 2.564 1.00 0.00 C ATOM 148 CG ARG A 12 -13.523 19.185 2.399 1.00 0.00 C ATOM 149 CD ARG A 12 -12.534 18.582 1.398 1.00 0.00 C ATOM 150 NE ARG A 12 -11.391 19.476 1.198 1.00 0.00 N ATOM 151 CZ ARG A 12 -10.559 19.411 0.155 1.00 0.00 C ATOM 152 NH1 ARG A 12 -10.725 18.500 -0.801 1.00 0.00 N ATOM 153 NH2 ARG A 12 -9.542 20.263 0.064 1.00 0.00 N ATOM 0 H ARG A 12 -13.555 18.160 5.059 1.00 0.00 H new ATOM 0 HA ARG A 12 -15.532 16.570 3.514 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -15.056 17.914 1.591 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -15.601 18.952 2.894 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -13.813 20.182 2.066 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -13.034 19.302 3.366 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -12.186 17.614 1.760 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -13.035 18.405 0.446 1.00 0.00 H new ATOM 0 HE ARG A 12 -11.219 20.195 1.901 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -11.498 17.836 -0.745 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.080 18.465 -1.590 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.398 20.965 0.790 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -8.906 20.215 -0.732 1.00 0.00 H new ATOM 167 N SER A 13 -12.466 16.088 4.021 1.00 0.00 N ATOM 168 CA SER A 13 -11.363 15.162 3.807 1.00 0.00 C ATOM 169 C SER A 13 -11.637 13.846 4.531 1.00 0.00 C ATOM 170 O SER A 13 -11.088 12.808 4.173 1.00 0.00 O ATOM 171 CB SER A 13 -10.058 15.798 4.284 1.00 0.00 C ATOM 172 OG SER A 13 -8.968 14.957 3.968 1.00 0.00 O ATOM 0 H SER A 13 -12.379 16.642 4.873 1.00 0.00 H new ATOM 0 HA SER A 13 -11.268 14.945 2.743 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.925 16.772 3.813 1.00 0.00 H new ATOM 0 HB3 SER A 13 -10.098 15.967 5.360 1.00 0.00 H new ATOM 0 HG SER A 13 -8.135 15.372 4.275 1.00 0.00 H new ATOM 178 N MET A 14 -12.494 13.882 5.558 1.00 0.00 N ATOM 179 CA MET A 14 -12.912 12.687 6.277 1.00 0.00 C ATOM 180 C MET A 14 -13.837 11.816 5.428 1.00 0.00 C ATOM 181 O MET A 14 -14.115 10.676 5.794 1.00 0.00 O ATOM 182 CB MET A 14 -13.616 13.116 7.564 1.00 0.00 C ATOM 183 CG MET A 14 -12.595 13.531 8.622 1.00 0.00 C ATOM 184 SD MET A 14 -12.253 12.269 9.887 1.00 0.00 S ATOM 185 CE MET A 14 -11.923 10.812 8.857 1.00 0.00 C ATOM 0 H MET A 14 -12.913 14.743 5.909 1.00 0.00 H new ATOM 0 HA MET A 14 -12.033 12.087 6.511 1.00 0.00 H new ATOM 0 HB2 MET A 14 -14.291 13.946 7.356 1.00 0.00 H new ATOM 0 HB3 MET A 14 -14.227 12.296 7.942 1.00 0.00 H new ATOM 0 HG2 MET A 14 -11.660 13.789 8.124 1.00 0.00 H new ATOM 0 HG3 MET A 14 -12.952 14.434 9.117 1.00 0.00 H new ATOM 0 HE1 MET A 14 -11.697 9.958 9.496 1.00 0.00 H new ATOM 0 HE2 MET A 14 -12.801 10.589 8.250 1.00 0.00 H new ATOM 0 HE3 MET A 14 -11.073 11.012 8.205 1.00 0.00 H new ATOM 195 N ASN A 15 -14.319 12.344 4.301 1.00 0.00 N ATOM 196 CA ASN A 15 -15.234 11.632 3.426 1.00 0.00 C ATOM 197 C ASN A 15 -14.737 11.598 1.977 1.00 0.00 C ATOM 198 O ASN A 15 -15.331 10.910 1.150 1.00 0.00 O ATOM 199 CB ASN A 15 -16.634 12.237 3.549 1.00 0.00 C ATOM 200 CG ASN A 15 -16.607 13.753 3.663 1.00 0.00 C ATOM 201 OD1 ASN A 15 -16.599 14.468 2.666 1.00 0.00 O ATOM 202 ND2 ASN A 15 -16.591 14.251 4.893 1.00 0.00 N ATOM 0 H ASN A 15 -14.081 13.281 3.974 1.00 0.00 H new ATOM 0 HA ASN A 15 -15.281 10.590 3.743 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -17.227 11.952 2.680 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -17.131 11.819 4.425 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -16.571 15.261 5.034 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -16.598 13.624 5.697 1.00 0.00 H new ATOM 209 N SER A 16 -13.657 12.318 1.659 1.00 0.00 N ATOM 210 CA SER A 16 -13.010 12.228 0.353 1.00 0.00 C ATOM 211 C SER A 16 -11.851 11.238 0.408 1.00 0.00 C ATOM 212 O SER A 16 -11.060 11.127 -0.525 1.00 0.00 O ATOM 213 CB SER A 16 -12.554 13.613 -0.107 1.00 0.00 C ATOM 214 OG SER A 16 -11.463 14.053 0.668 1.00 0.00 O ATOM 0 H SER A 16 -13.211 12.976 2.298 1.00 0.00 H new ATOM 0 HA SER A 16 -13.726 11.857 -0.380 1.00 0.00 H new ATOM 0 HB2 SER A 16 -12.271 13.579 -1.159 1.00 0.00 H new ATOM 0 HB3 SER A 16 -13.378 14.321 -0.022 1.00 0.00 H new ATOM 0 HG SER A 16 -11.181 14.940 0.362 1.00 0.00 H new ATOM 220 N ARG A 17 -11.749 10.511 1.528 1.00 0.00 N ATOM 221 CA ARG A 17 -10.692 9.555 1.813 1.00 0.00 C ATOM 222 C ARG A 17 -11.238 8.135 1.790 1.00 0.00 C ATOM 223 O ARG A 17 -12.427 7.917 2.024 1.00 0.00 O ATOM 224 CB ARG A 17 -10.114 9.924 3.171 1.00 0.00 C ATOM 225 CG ARG A 17 -8.877 9.112 3.557 1.00 0.00 C ATOM 226 CD ARG A 17 -8.430 9.560 4.948 1.00 0.00 C ATOM 227 NE ARG A 17 -8.363 11.022 5.009 1.00 0.00 N ATOM 228 CZ ARG A 17 -8.447 11.749 6.126 1.00 0.00 C ATOM 229 NH1 ARG A 17 -8.529 11.175 7.322 1.00 0.00 N ATOM 230 NH2 ARG A 17 -8.448 13.074 6.052 1.00 0.00 N ATOM 0 H ARG A 17 -12.430 10.581 2.284 1.00 0.00 H new ATOM 0 HA ARG A 17 -9.908 9.592 1.057 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.856 10.983 3.170 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.881 9.784 3.932 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.106 8.046 3.556 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.078 9.268 2.832 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.127 9.189 5.699 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.454 9.134 5.180 1.00 0.00 H new ATOM 0 HE ARG A 17 -8.243 11.524 4.129 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -8.529 10.158 7.401 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -8.592 11.751 8.161 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -8.385 13.534 5.144 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.512 13.632 6.903 1.00 0.00 H new ATOM 244 N VAL A 18 -10.360 7.175 1.507 1.00 0.00 N ATOM 245 CA VAL A 18 -10.711 5.762 1.432 1.00 0.00 C ATOM 246 C VAL A 18 -9.845 4.975 2.403 1.00 0.00 C ATOM 247 O VAL A 18 -8.627 5.138 2.415 1.00 0.00 O ATOM 248 CB VAL A 18 -10.485 5.247 0.006 1.00 0.00 C ATOM 249 CG1 VAL A 18 -10.993 3.813 -0.121 1.00 0.00 C ATOM 250 CG2 VAL A 18 -11.191 6.115 -1.034 1.00 0.00 C ATOM 0 H VAL A 18 -9.374 7.360 1.322 1.00 0.00 H new ATOM 0 HA VAL A 18 -11.761 5.635 1.695 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.412 5.287 -0.183 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.828 3.457 -1.138 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -10.456 3.173 0.579 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -12.059 3.783 0.105 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -11.004 5.714 -2.030 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -12.263 6.117 -0.839 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.810 7.135 -0.976 1.00 0.00 H new ATOM 260 N PHE A 19 -10.478 4.123 3.208 1.00 0.00 N ATOM 261 CA PHE A 19 -9.774 3.194 4.073 1.00 0.00 C ATOM 262 C PHE A 19 -9.765 1.833 3.381 1.00 0.00 C ATOM 263 O PHE A 19 -10.790 1.406 2.854 1.00 0.00 O ATOM 264 CB PHE A 19 -10.452 3.134 5.441 1.00 0.00 C ATOM 265 CG PHE A 19 -9.883 2.079 6.363 1.00 0.00 C ATOM 266 CD1 PHE A 19 -8.500 2.001 6.587 1.00 0.00 C ATOM 267 CD2 PHE A 19 -10.740 1.172 6.994 1.00 0.00 C ATOM 268 CE1 PHE A 19 -7.981 1.013 7.432 1.00 0.00 C ATOM 269 CE2 PHE A 19 -10.225 0.186 7.845 1.00 0.00 C ATOM 270 CZ PHE A 19 -8.841 0.101 8.061 1.00 0.00 C ATOM 0 H PHE A 19 -11.494 4.062 3.275 1.00 0.00 H new ATOM 0 HA PHE A 19 -8.747 3.517 4.244 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.364 4.108 5.922 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -11.516 2.943 5.300 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -7.835 2.704 6.107 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -11.805 1.232 6.824 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.916 0.953 7.600 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.892 -0.508 8.334 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.440 -0.664 8.709 1.00 0.00 H new ATOM 280 N ILE A 20 -8.615 1.156 3.382 1.00 0.00 N ATOM 281 CA ILE A 20 -8.451 -0.127 2.713 1.00 0.00 C ATOM 282 C ILE A 20 -7.870 -1.107 3.723 1.00 0.00 C ATOM 283 O ILE A 20 -6.698 -1.009 4.063 1.00 0.00 O ATOM 284 CB ILE A 20 -7.516 0.040 1.506 1.00 0.00 C ATOM 285 CG1 ILE A 20 -8.039 1.118 0.550 1.00 0.00 C ATOM 286 CG2 ILE A 20 -7.377 -1.301 0.775 1.00 0.00 C ATOM 287 CD1 ILE A 20 -6.965 1.539 -0.456 1.00 0.00 C ATOM 0 H ILE A 20 -7.771 1.487 3.850 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.406 -0.504 2.346 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.537 0.359 1.864 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -8.912 0.741 0.017 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -8.365 1.987 1.122 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -6.713 -1.181 -0.081 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.962 -2.045 1.455 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.357 -1.631 0.431 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.368 2.304 -1.119 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.103 1.939 0.078 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.658 0.674 -1.044 1.00 0.00 H new ATOM 299 N GLY A 21 -8.684 -2.044 4.203 1.00 0.00 N ATOM 300 CA GLY A 21 -8.279 -2.995 5.229 1.00 0.00 C ATOM 301 C GLY A 21 -8.085 -4.408 4.689 1.00 0.00 C ATOM 302 O GLY A 21 -8.438 -4.703 3.550 1.00 0.00 O ATOM 0 H GLY A 21 -9.647 -2.164 3.888 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.349 -2.655 5.685 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -9.032 -3.013 6.017 1.00 0.00 H new ATOM 306 N ASN A 22 -7.515 -5.280 5.527 1.00 0.00 N ATOM 307 CA ASN A 22 -7.217 -6.671 5.207 1.00 0.00 C ATOM 308 C ASN A 22 -6.378 -6.797 3.927 1.00 0.00 C ATOM 309 O ASN A 22 -6.397 -7.826 3.258 1.00 0.00 O ATOM 310 CB ASN A 22 -8.517 -7.487 5.171 1.00 0.00 C ATOM 311 CG ASN A 22 -8.259 -8.986 5.286 1.00 0.00 C ATOM 312 OD1 ASN A 22 -8.036 -9.495 6.381 1.00 0.00 O ATOM 313 ND2 ASN A 22 -8.288 -9.706 4.167 1.00 0.00 N ATOM 0 H ASN A 22 -7.241 -5.024 6.476 1.00 0.00 H new ATOM 0 HA ASN A 22 -6.593 -7.092 5.995 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -9.167 -7.168 5.986 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.047 -7.282 4.241 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.122 -10.712 4.203 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.476 -9.252 3.273 1.00 0.00 H new ATOM 320 N LEU A 23 -5.636 -5.743 3.579 1.00 0.00 N ATOM 321 CA LEU A 23 -4.893 -5.666 2.328 1.00 0.00 C ATOM 322 C LEU A 23 -3.702 -6.629 2.310 1.00 0.00 C ATOM 323 O LEU A 23 -3.103 -6.915 3.344 1.00 0.00 O ATOM 324 CB LEU A 23 -4.466 -4.208 2.122 1.00 0.00 C ATOM 325 CG LEU A 23 -3.733 -3.956 0.798 1.00 0.00 C ATOM 326 CD1 LEU A 23 -4.609 -4.300 -0.404 1.00 0.00 C ATOM 327 CD2 LEU A 23 -3.364 -2.477 0.712 1.00 0.00 C ATOM 0 H LEU A 23 -5.536 -4.914 4.165 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.528 -5.979 1.499 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.350 -3.572 2.163 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.819 -3.909 2.947 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.847 -4.590 0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.056 -4.109 -1.324 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.889 -5.353 -0.361 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.508 -3.685 -0.387 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.842 -2.286 -0.226 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.270 -1.873 0.752 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.716 -2.215 1.548 1.00 0.00 H new ATOM 339 N ASN A 24 -3.370 -7.120 1.113 1.00 0.00 N ATOM 340 CA ASN A 24 -2.238 -7.993 0.841 1.00 0.00 C ATOM 341 C ASN A 24 -0.908 -7.232 0.898 1.00 0.00 C ATOM 342 O ASN A 24 -0.117 -7.266 -0.045 1.00 0.00 O ATOM 343 CB ASN A 24 -2.474 -8.631 -0.531 1.00 0.00 C ATOM 344 CG ASN A 24 -2.721 -7.560 -1.584 1.00 0.00 C ATOM 345 OD1 ASN A 24 -3.858 -7.165 -1.814 1.00 0.00 O ATOM 346 ND2 ASN A 24 -1.662 -7.087 -2.226 1.00 0.00 N ATOM 0 H ASN A 24 -3.910 -6.907 0.274 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.164 -8.766 1.606 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.610 -9.232 -0.812 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.329 -9.305 -0.482 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.778 -6.368 -2.940 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.731 -7.442 -2.006 1.00 0.00 H new ATOM 353 N THR A 25 -0.654 -6.538 2.007 1.00 0.00 N ATOM 354 CA THR A 25 0.481 -5.634 2.141 1.00 0.00 C ATOM 355 C THR A 25 1.843 -6.325 2.073 1.00 0.00 C ATOM 356 O THR A 25 2.865 -5.659 2.220 1.00 0.00 O ATOM 357 CB THR A 25 0.347 -4.830 3.438 1.00 0.00 C ATOM 358 OG1 THR A 25 0.365 -5.696 4.553 1.00 0.00 O ATOM 359 CG2 THR A 25 -0.982 -4.079 3.443 1.00 0.00 C ATOM 0 H THR A 25 -1.237 -6.590 2.843 1.00 0.00 H new ATOM 0 HA THR A 25 0.451 -4.969 1.278 1.00 0.00 H new ATOM 0 HB THR A 25 1.181 -4.130 3.496 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.274 -6.035 4.689 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.074 -3.508 4.367 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.019 -3.399 2.592 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.803 -4.792 3.374 1.00 0.00 H new ATOM 367 N LEU A 26 1.879 -7.644 1.850 1.00 0.00 N ATOM 368 CA LEU A 26 3.143 -8.347 1.677 1.00 0.00 C ATOM 369 C LEU A 26 3.592 -8.307 0.217 1.00 0.00 C ATOM 370 O LEU A 26 4.743 -8.622 -0.085 1.00 0.00 O ATOM 371 CB LEU A 26 3.025 -9.812 2.111 1.00 0.00 C ATOM 372 CG LEU A 26 2.373 -10.029 3.477 1.00 0.00 C ATOM 373 CD1 LEU A 26 2.727 -11.446 3.924 1.00 0.00 C ATOM 374 CD2 LEU A 26 2.846 -9.034 4.533 1.00 0.00 C ATOM 0 H LEU A 26 1.051 -8.237 1.786 1.00 0.00 H new ATOM 0 HA LEU A 26 3.879 -7.842 2.303 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.449 -10.353 1.360 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.022 -10.252 2.127 1.00 0.00 H new ATOM 0 HG LEU A 26 1.298 -9.880 3.376 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.280 -11.643 4.898 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.344 -12.163 3.198 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.810 -11.545 3.995 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.346 -9.242 5.479 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.924 -9.128 4.664 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.606 -8.021 4.211 1.00 0.00 H new ATOM 386 N VAL A 27 2.684 -7.918 -0.685 1.00 0.00 N ATOM 387 CA VAL A 27 2.946 -7.914 -2.118 1.00 0.00 C ATOM 388 C VAL A 27 2.582 -6.560 -2.726 1.00 0.00 C ATOM 389 O VAL A 27 3.075 -6.211 -3.798 1.00 0.00 O ATOM 390 CB VAL A 27 2.142 -9.045 -2.769 1.00 0.00 C ATOM 391 CG1 VAL A 27 2.462 -9.168 -4.259 1.00 0.00 C ATOM 392 CG2 VAL A 27 2.460 -10.388 -2.110 1.00 0.00 C ATOM 0 H VAL A 27 1.748 -7.598 -0.436 1.00 0.00 H new ATOM 0 HA VAL A 27 4.008 -8.078 -2.300 1.00 0.00 H new ATOM 0 HB VAL A 27 1.089 -8.798 -2.636 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.876 -9.979 -4.691 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.215 -8.233 -4.763 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.524 -9.380 -4.387 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.878 -11.175 -2.589 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.523 -10.605 -2.220 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.207 -10.343 -1.051 1.00 0.00 H new ATOM 402 N VAL A 28 1.724 -5.785 -2.052 1.00 0.00 N ATOM 403 CA VAL A 28 1.355 -4.462 -2.526 1.00 0.00 C ATOM 404 C VAL A 28 2.435 -3.453 -2.147 1.00 0.00 C ATOM 405 O VAL A 28 3.223 -3.689 -1.232 1.00 0.00 O ATOM 406 CB VAL A 28 -0.024 -4.071 -1.975 1.00 0.00 C ATOM 407 CG1 VAL A 28 0.079 -3.089 -0.809 1.00 0.00 C ATOM 408 CG2 VAL A 28 -0.865 -3.438 -3.078 1.00 0.00 C ATOM 0 H VAL A 28 1.276 -6.059 -1.177 1.00 0.00 H new ATOM 0 HA VAL A 28 1.281 -4.468 -3.613 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.495 -4.985 -1.612 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.921 -2.841 -0.452 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.651 -3.544 0.000 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.581 -2.180 -1.142 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.841 -3.164 -2.679 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.362 -2.546 -3.452 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.993 -4.151 -3.892 1.00 0.00 H new ATOM 418 N LYS A 29 2.462 -2.323 -2.853 1.00 0.00 N ATOM 419 CA LYS A 29 3.360 -1.216 -2.565 1.00 0.00 C ATOM 420 C LYS A 29 2.609 0.097 -2.743 1.00 0.00 C ATOM 421 O LYS A 29 1.472 0.098 -3.214 1.00 0.00 O ATOM 422 CB LYS A 29 4.607 -1.248 -3.461 1.00 0.00 C ATOM 423 CG LYS A 29 4.346 -1.863 -4.835 1.00 0.00 C ATOM 424 CD LYS A 29 4.699 -3.352 -4.804 1.00 0.00 C ATOM 425 CE LYS A 29 4.085 -4.095 -5.987 1.00 0.00 C ATOM 426 NZ LYS A 29 4.486 -3.515 -7.282 1.00 0.00 N ATOM 0 H LYS A 29 1.850 -2.153 -3.651 1.00 0.00 H new ATOM 0 HA LYS A 29 3.703 -1.308 -1.534 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.980 -0.232 -3.590 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.392 -1.814 -2.960 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.300 -1.732 -5.111 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.941 -1.353 -5.592 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.782 -3.471 -4.820 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.344 -3.792 -3.872 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.386 -5.142 -5.952 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.998 -4.073 -5.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.504 -4.261 -8.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.804 -2.780 -7.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.433 -3.093 -7.195 1.00 0.00 H new ATOM 440 N LYS A 30 3.229 1.219 -2.373 1.00 0.00 N ATOM 441 CA LYS A 30 2.574 2.516 -2.500 1.00 0.00 C ATOM 442 C LYS A 30 2.225 2.795 -3.957 1.00 0.00 C ATOM 443 O LYS A 30 1.211 3.427 -4.230 1.00 0.00 O ATOM 444 CB LYS A 30 3.485 3.614 -1.954 1.00 0.00 C ATOM 445 CG LYS A 30 2.788 4.958 -2.155 1.00 0.00 C ATOM 446 CD LYS A 30 3.542 6.089 -1.469 1.00 0.00 C ATOM 447 CE LYS A 30 2.825 7.399 -1.788 1.00 0.00 C ATOM 448 NZ LYS A 30 3.480 8.551 -1.145 1.00 0.00 N ATOM 0 H LYS A 30 4.173 1.254 -1.988 1.00 0.00 H new ATOM 0 HA LYS A 30 1.650 2.502 -1.921 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.690 3.447 -0.897 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.445 3.603 -2.470 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.705 5.170 -3.221 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.773 4.905 -1.761 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.575 5.926 -0.392 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.574 6.125 -1.818 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.804 7.549 -2.867 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.789 7.337 -1.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.085 9.433 -1.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.316 8.515 -0.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.502 8.519 -1.333 1.00 0.00 H new ATOM 462 N SER A 31 3.062 2.318 -4.881 1.00 0.00 N ATOM 463 CA SER A 31 2.900 2.553 -6.307 1.00 0.00 C ATOM 464 C SER A 31 1.794 1.677 -6.885 1.00 0.00 C ATOM 465 O SER A 31 1.410 1.856 -8.040 1.00 0.00 O ATOM 466 CB SER A 31 4.220 2.268 -7.026 1.00 0.00 C ATOM 467 OG SER A 31 5.248 3.062 -6.472 1.00 0.00 O ATOM 0 H SER A 31 3.879 1.752 -4.652 1.00 0.00 H new ATOM 0 HA SER A 31 2.619 3.596 -6.456 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.474 1.212 -6.934 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.118 2.480 -8.090 1.00 0.00 H new ATOM 0 HG SER A 31 6.091 2.875 -6.935 1.00 0.00 H new ATOM 473 N ASP A 32 1.276 0.732 -6.093 1.00 0.00 N ATOM 474 CA ASP A 32 0.192 -0.130 -6.515 1.00 0.00 C ATOM 475 C ASP A 32 -1.141 0.429 -6.039 1.00 0.00 C ATOM 476 O ASP A 32 -2.118 0.396 -6.784 1.00 0.00 O ATOM 477 CB ASP A 32 0.433 -1.541 -5.975 1.00 0.00 C ATOM 478 CG ASP A 32 1.268 -2.373 -6.943 1.00 0.00 C ATOM 479 OD1 ASP A 32 2.280 -1.839 -7.451 1.00 0.00 O ATOM 480 OD2 ASP A 32 0.888 -3.539 -7.170 1.00 0.00 O ATOM 0 H ASP A 32 1.603 0.552 -5.144 1.00 0.00 H new ATOM 0 HA ASP A 32 0.158 -0.176 -7.603 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.941 -1.482 -5.012 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.524 -2.034 -5.801 1.00 0.00 H new ATOM 485 N VAL A 33 -1.208 0.944 -4.808 1.00 0.00 N ATOM 486 CA VAL A 33 -2.464 1.473 -4.293 1.00 0.00 C ATOM 487 C VAL A 33 -2.874 2.706 -5.097 1.00 0.00 C ATOM 488 O VAL A 33 -4.060 2.932 -5.332 1.00 0.00 O ATOM 489 CB VAL A 33 -2.323 1.791 -2.800 1.00 0.00 C ATOM 490 CG1 VAL A 33 -3.651 2.293 -2.238 1.00 0.00 C ATOM 491 CG2 VAL A 33 -1.916 0.537 -2.020 1.00 0.00 C ATOM 0 H VAL A 33 -0.420 1.004 -4.163 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.250 0.726 -4.401 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.557 2.559 -2.694 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.536 2.515 -1.177 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.952 3.197 -2.767 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.414 1.526 -2.368 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.821 0.782 -0.962 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.677 -0.233 -2.147 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.961 0.169 -2.395 1.00 0.00 H new ATOM 501 N GLU A 34 -1.898 3.508 -5.530 1.00 0.00 N ATOM 502 CA GLU A 34 -2.166 4.689 -6.341 1.00 0.00 C ATOM 503 C GLU A 34 -2.387 4.323 -7.811 1.00 0.00 C ATOM 504 O GLU A 34 -2.589 5.208 -8.641 1.00 0.00 O ATOM 505 CB GLU A 34 -1.038 5.710 -6.177 1.00 0.00 C ATOM 506 CG GLU A 34 0.278 5.198 -6.761 1.00 0.00 C ATOM 507 CD GLU A 34 1.381 6.248 -6.646 1.00 0.00 C ATOM 508 OE1 GLU A 34 1.666 6.674 -5.506 1.00 0.00 O ATOM 509 OE2 GLU A 34 1.935 6.622 -7.705 1.00 0.00 O ATOM 0 H GLU A 34 -0.910 3.356 -5.328 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.091 5.144 -5.988 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.316 6.642 -6.669 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.903 5.936 -5.119 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.581 4.290 -6.239 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.134 4.931 -7.808 1.00 0.00 H new ATOM 516 N ALA A 35 -2.349 3.026 -8.137 1.00 0.00 N ATOM 517 CA ALA A 35 -2.573 2.536 -9.489 1.00 0.00 C ATOM 518 C ALA A 35 -3.824 1.658 -9.562 1.00 0.00 C ATOM 519 O ALA A 35 -4.254 1.282 -10.650 1.00 0.00 O ATOM 520 CB ALA A 35 -1.331 1.766 -9.939 1.00 0.00 C ATOM 0 H ALA A 35 -2.160 2.287 -7.460 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.742 3.380 -10.158 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.482 1.391 -10.951 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.466 2.429 -9.923 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.158 0.928 -9.264 1.00 0.00 H new ATOM 526 N ILE A 36 -4.410 1.335 -8.403 1.00 0.00 N ATOM 527 CA ILE A 36 -5.605 0.505 -8.312 1.00 0.00 C ATOM 528 C ILE A 36 -6.826 1.358 -7.978 1.00 0.00 C ATOM 529 O ILE A 36 -7.954 0.958 -8.257 1.00 0.00 O ATOM 530 CB ILE A 36 -5.342 -0.584 -7.263 1.00 0.00 C ATOM 531 CG1 ILE A 36 -4.250 -1.528 -7.783 1.00 0.00 C ATOM 532 CG2 ILE A 36 -6.601 -1.395 -6.964 1.00 0.00 C ATOM 533 CD1 ILE A 36 -3.618 -2.319 -6.637 1.00 0.00 C ATOM 0 H ILE A 36 -4.061 1.648 -7.497 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.823 0.029 -9.268 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.025 -0.097 -6.341 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.677 -2.216 -8.513 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.482 -0.952 -8.299 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.375 -2.156 -6.217 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.379 -0.733 -6.583 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.949 -1.876 -7.878 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.847 -2.980 -7.033 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.171 -1.629 -5.921 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.384 -2.913 -6.139 1.00 0.00 H new ATOM 545 N PHE A 37 -6.608 2.536 -7.387 1.00 0.00 N ATOM 546 CA PHE A 37 -7.687 3.438 -7.003 1.00 0.00 C ATOM 547 C PHE A 37 -7.703 4.703 -7.858 1.00 0.00 C ATOM 548 O PHE A 37 -8.624 5.510 -7.754 1.00 0.00 O ATOM 549 CB PHE A 37 -7.559 3.752 -5.513 1.00 0.00 C ATOM 550 CG PHE A 37 -7.899 2.575 -4.626 1.00 0.00 C ATOM 551 CD1 PHE A 37 -7.040 1.468 -4.557 1.00 0.00 C ATOM 552 CD2 PHE A 37 -9.082 2.584 -3.870 1.00 0.00 C ATOM 553 CE1 PHE A 37 -7.370 0.369 -3.756 1.00 0.00 C ATOM 554 CE2 PHE A 37 -9.412 1.485 -3.064 1.00 0.00 C ATOM 555 CZ PHE A 37 -8.552 0.376 -3.008 1.00 0.00 C ATOM 0 H PHE A 37 -5.677 2.887 -7.163 1.00 0.00 H new ATOM 0 HA PHE A 37 -8.645 2.949 -7.182 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.540 4.075 -5.302 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -8.215 4.587 -5.266 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -6.121 1.464 -5.124 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -9.740 3.440 -3.909 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -6.711 -0.486 -3.715 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -10.325 1.491 -2.488 1.00 0.00 H new ATOM 0 HZ PHE A 37 -8.803 -0.471 -2.387 1.00 0.00 H new ATOM 565 N SER A 38 -6.697 4.904 -8.714 1.00 0.00 N ATOM 566 CA SER A 38 -6.656 6.078 -9.577 1.00 0.00 C ATOM 567 C SER A 38 -7.615 5.923 -10.764 1.00 0.00 C ATOM 568 O SER A 38 -7.832 6.871 -11.520 1.00 0.00 O ATOM 569 CB SER A 38 -5.215 6.314 -10.031 1.00 0.00 C ATOM 570 OG SER A 38 -5.118 7.493 -10.804 1.00 0.00 O ATOM 0 H SER A 38 -5.906 4.270 -8.824 1.00 0.00 H new ATOM 0 HA SER A 38 -6.992 6.953 -9.020 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.563 6.390 -9.161 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.869 5.461 -10.615 1.00 0.00 H new ATOM 0 HG SER A 38 -5.975 7.666 -11.246 1.00 0.00 H new ATOM 576 N LYS A 39 -8.199 4.731 -10.939 1.00 0.00 N ATOM 577 CA LYS A 39 -9.156 4.470 -12.007 1.00 0.00 C ATOM 578 C LYS A 39 -10.575 4.884 -11.616 1.00 0.00 C ATOM 579 O LYS A 39 -11.483 4.816 -12.440 1.00 0.00 O ATOM 580 CB LYS A 39 -9.111 2.985 -12.388 1.00 0.00 C ATOM 581 CG LYS A 39 -9.589 2.114 -11.224 1.00 0.00 C ATOM 582 CD LYS A 39 -9.675 0.651 -11.650 1.00 0.00 C ATOM 583 CE LYS A 39 -10.205 -0.173 -10.480 1.00 0.00 C ATOM 584 NZ LYS A 39 -10.435 -1.579 -10.862 1.00 0.00 N ATOM 0 H LYS A 39 -8.018 3.925 -10.341 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.874 5.074 -12.869 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -9.738 2.809 -13.262 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.094 2.706 -12.664 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.904 2.214 -10.382 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -10.566 2.457 -10.883 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -10.333 0.547 -12.513 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.693 0.288 -11.953 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.494 -0.132 -9.655 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -11.137 0.263 -10.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.979 -2.057 -10.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.967 -1.614 -11.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.521 -2.059 -10.985 1.00 0.00 H new ATOM 598 N TYR A 40 -10.764 5.310 -10.362 1.00 0.00 N ATOM 599 CA TYR A 40 -12.068 5.680 -9.832 1.00 0.00 C ATOM 600 C TYR A 40 -12.102 7.132 -9.356 1.00 0.00 C ATOM 601 O TYR A 40 -13.144 7.603 -8.907 1.00 0.00 O ATOM 602 CB TYR A 40 -12.452 4.717 -8.707 1.00 0.00 C ATOM 603 CG TYR A 40 -13.196 3.487 -9.181 1.00 0.00 C ATOM 604 CD1 TYR A 40 -14.404 3.628 -9.885 1.00 0.00 C ATOM 605 CD2 TYR A 40 -12.690 2.208 -8.911 1.00 0.00 C ATOM 606 CE1 TYR A 40 -15.102 2.497 -10.324 1.00 0.00 C ATOM 607 CE2 TYR A 40 -13.390 1.070 -9.343 1.00 0.00 C ATOM 608 CZ TYR A 40 -14.596 1.210 -10.056 1.00 0.00 C ATOM 609 OH TYR A 40 -15.277 0.109 -10.484 1.00 0.00 O ATOM 0 H TYR A 40 -10.006 5.406 -9.686 1.00 0.00 H new ATOM 0 HA TYR A 40 -12.801 5.602 -10.635 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -11.548 4.404 -8.185 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -13.071 5.247 -7.983 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -14.796 4.614 -10.088 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -11.761 2.098 -8.371 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -16.028 2.611 -10.868 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -13.002 0.085 -9.128 1.00 0.00 H new ATOM 0 HH TYR A 40 -14.792 -0.700 -10.218 1.00 0.00 H new ATOM 619 N GLY A 41 -10.980 7.850 -9.448 1.00 0.00 N ATOM 620 CA GLY A 41 -10.939 9.241 -9.039 1.00 0.00 C ATOM 621 C GLY A 41 -9.528 9.811 -9.072 1.00 0.00 C ATOM 622 O GLY A 41 -8.549 9.069 -9.168 1.00 0.00 O ATOM 0 H GLY A 41 -10.095 7.486 -9.802 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.582 9.829 -9.694 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -11.342 9.333 -8.031 1.00 0.00 H new ATOM 626 N LYS A 42 -9.421 11.141 -8.992 1.00 0.00 N ATOM 627 CA LYS A 42 -8.137 11.822 -8.934 1.00 0.00 C ATOM 628 C LYS A 42 -7.578 11.693 -7.524 1.00 0.00 C ATOM 629 O LYS A 42 -8.142 12.251 -6.583 1.00 0.00 O ATOM 630 CB LYS A 42 -8.323 13.293 -9.320 1.00 0.00 C ATOM 631 CG LYS A 42 -7.104 14.145 -8.938 1.00 0.00 C ATOM 632 CD LYS A 42 -5.817 13.665 -9.608 1.00 0.00 C ATOM 633 CE LYS A 42 -4.649 14.468 -9.038 1.00 0.00 C ATOM 634 NZ LYS A 42 -3.365 14.034 -9.618 1.00 0.00 N ATOM 0 H LYS A 42 -10.224 11.769 -8.966 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.434 11.372 -9.635 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.495 13.367 -10.394 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.211 13.688 -8.826 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.289 15.182 -9.217 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.975 14.124 -7.856 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.669 12.600 -9.427 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.879 13.799 -10.688 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.801 15.528 -9.240 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.619 14.351 -7.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.592 14.598 -9.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.210 13.028 -9.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.386 14.169 -10.649 1.00 0.00 H new ATOM 648 N ILE A 43 -6.473 10.960 -7.378 1.00 0.00 N ATOM 649 CA ILE A 43 -5.822 10.814 -6.091 1.00 0.00 C ATOM 650 C ILE A 43 -4.908 12.013 -5.869 1.00 0.00 C ATOM 651 O ILE A 43 -4.073 12.332 -6.713 1.00 0.00 O ATOM 652 CB ILE A 43 -5.074 9.475 -6.021 1.00 0.00 C ATOM 653 CG1 ILE A 43 -6.088 8.327 -6.120 1.00 0.00 C ATOM 654 CG2 ILE A 43 -4.295 9.383 -4.706 1.00 0.00 C ATOM 655 CD1 ILE A 43 -5.454 6.941 -5.985 1.00 0.00 C ATOM 0 H ILE A 43 -6.016 10.461 -8.141 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.558 10.796 -5.287 1.00 0.00 H new ATOM 0 HB ILE A 43 -4.368 9.404 -6.848 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.842 8.450 -5.343 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.604 8.390 -7.078 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.766 8.431 -4.662 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.576 10.200 -4.651 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.988 9.452 -3.867 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.228 6.178 -6.064 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.720 6.798 -6.778 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.962 6.859 -5.016 1.00 0.00 H new ATOM 667 N VAL A 44 -5.072 12.675 -4.723 1.00 0.00 N ATOM 668 CA VAL A 44 -4.271 13.828 -4.320 1.00 0.00 C ATOM 669 C VAL A 44 -3.432 13.499 -3.093 1.00 0.00 C ATOM 670 O VAL A 44 -2.674 14.342 -2.614 1.00 0.00 O ATOM 671 CB VAL A 44 -5.175 15.042 -4.079 1.00 0.00 C ATOM 672 CG1 VAL A 44 -5.643 15.596 -5.422 1.00 0.00 C ATOM 673 CG2 VAL A 44 -6.398 14.669 -3.235 1.00 0.00 C ATOM 0 H VAL A 44 -5.781 12.418 -4.036 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.582 14.078 -5.127 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.600 15.793 -3.536 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.286 16.460 -5.255 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.778 15.897 -6.013 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.199 14.828 -5.959 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.018 15.552 -3.083 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.977 13.904 -3.752 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.070 14.285 -2.269 1.00 0.00 H new ATOM 683 N GLY A 45 -3.562 12.272 -2.580 1.00 0.00 N ATOM 684 CA GLY A 45 -2.765 11.792 -1.465 1.00 0.00 C ATOM 685 C GLY A 45 -2.877 10.277 -1.374 1.00 0.00 C ATOM 686 O GLY A 45 -3.928 9.716 -1.669 1.00 0.00 O ATOM 0 H GLY A 45 -4.229 11.586 -2.934 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.723 12.083 -1.598 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.108 12.249 -0.536 1.00 0.00 H new ATOM 690 N CYS A 46 -1.804 9.602 -0.967 1.00 0.00 N ATOM 691 CA CYS A 46 -1.819 8.151 -0.850 1.00 0.00 C ATOM 692 C CYS A 46 -0.764 7.668 0.136 1.00 0.00 C ATOM 693 O CYS A 46 0.314 8.254 0.238 1.00 0.00 O ATOM 694 CB CYS A 46 -1.583 7.541 -2.236 1.00 0.00 C ATOM 695 SG CYS A 46 -1.705 5.735 -2.147 1.00 0.00 S ATOM 0 H CYS A 46 -0.917 10.038 -0.714 1.00 0.00 H new ATOM 0 HA CYS A 46 -2.789 7.832 -0.468 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -2.316 7.929 -2.943 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -0.599 7.830 -2.607 1.00 0.00 H new ATOM 0 HG CYS A 46 -1.930 5.256 -3.334 1.00 0.00 H new ATOM 701 N SER A 47 -1.082 6.595 0.858 1.00 0.00 N ATOM 702 CA SER A 47 -0.156 5.948 1.773 1.00 0.00 C ATOM 703 C SER A 47 -0.520 4.472 1.910 1.00 0.00 C ATOM 704 O SER A 47 -1.645 4.068 1.620 1.00 0.00 O ATOM 705 CB SER A 47 -0.203 6.646 3.136 1.00 0.00 C ATOM 706 OG SER A 47 -1.490 6.525 3.700 1.00 0.00 O ATOM 0 H SER A 47 -1.999 6.150 0.821 1.00 0.00 H new ATOM 0 HA SER A 47 0.858 6.022 1.381 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.538 6.206 3.804 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.055 7.699 3.023 1.00 0.00 H new ATOM 0 HG SER A 47 -1.473 5.853 4.413 1.00 0.00 H new ATOM 712 N VAL A 48 0.434 3.653 2.351 1.00 0.00 N ATOM 713 CA VAL A 48 0.209 2.226 2.529 1.00 0.00 C ATOM 714 C VAL A 48 0.959 1.751 3.768 1.00 0.00 C ATOM 715 O VAL A 48 2.026 2.269 4.095 1.00 0.00 O ATOM 716 CB VAL A 48 0.595 1.469 1.251 1.00 0.00 C ATOM 717 CG1 VAL A 48 2.043 1.735 0.841 1.00 0.00 C ATOM 718 CG2 VAL A 48 0.399 -0.037 1.404 1.00 0.00 C ATOM 0 H VAL A 48 1.376 3.960 2.592 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.848 2.019 2.696 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.070 1.843 0.472 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.272 1.179 -0.068 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.179 2.801 0.658 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.712 1.415 1.640 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.683 -0.537 0.478 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.021 -0.404 2.220 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.648 -0.247 1.623 1.00 0.00 H new ATOM 728 N HIS A 49 0.386 0.761 4.459 1.00 0.00 N ATOM 729 CA HIS A 49 0.855 0.312 5.758 1.00 0.00 C ATOM 730 C HIS A 49 0.828 -1.212 5.823 1.00 0.00 C ATOM 731 O HIS A 49 0.726 -1.876 4.794 1.00 0.00 O ATOM 732 CB HIS A 49 -0.059 0.920 6.830 1.00 0.00 C ATOM 733 CG HIS A 49 -0.305 2.391 6.629 1.00 0.00 C ATOM 734 ND1 HIS A 49 0.521 3.423 7.076 1.00 0.00 N ATOM 735 CD2 HIS A 49 -1.373 2.926 5.969 1.00 0.00 C ATOM 736 CE1 HIS A 49 -0.072 4.557 6.670 1.00 0.00 C ATOM 737 NE2 HIS A 49 -1.207 4.290 6.000 1.00 0.00 N ATOM 0 H HIS A 49 -0.427 0.247 4.121 1.00 0.00 H new ATOM 0 HA HIS A 49 1.883 0.634 5.926 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -1.014 0.394 6.826 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.388 0.763 7.812 1.00 0.00 H new ATOM 0 HD1 HIS A 49 1.391 3.335 7.600 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -2.188 2.384 5.512 1.00 0.00 H new ATOM 0 HE1 HIS A 49 0.311 5.550 6.856 1.00 0.00 H new ATOM 745 N LYS A 50 0.920 -1.780 7.031 1.00 0.00 N ATOM 746 CA LYS A 50 0.745 -3.213 7.234 1.00 0.00 C ATOM 747 C LYS A 50 -0.727 -3.517 7.481 1.00 0.00 C ATOM 748 O LYS A 50 -1.350 -2.908 8.349 1.00 0.00 O ATOM 749 CB LYS A 50 1.594 -3.690 8.417 1.00 0.00 C ATOM 750 CG LYS A 50 3.038 -3.996 8.013 1.00 0.00 C ATOM 751 CD LYS A 50 3.076 -5.235 7.111 1.00 0.00 C ATOM 752 CE LYS A 50 4.511 -5.710 6.874 1.00 0.00 C ATOM 753 NZ LYS A 50 5.152 -6.155 8.126 1.00 0.00 N ATOM 0 H LYS A 50 1.116 -1.259 7.886 1.00 0.00 H new ATOM 0 HA LYS A 50 1.074 -3.744 6.340 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.591 -2.926 9.194 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.143 -4.584 8.847 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.467 -3.141 7.490 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.646 -4.164 8.902 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.496 -6.037 7.568 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.605 -5.006 6.155 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.509 -6.529 6.155 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.094 -4.901 6.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.144 -6.405 7.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.115 -5.387 8.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.649 -6.986 8.497 1.00 0.00 H new ATOM 767 N GLY A 51 -1.281 -4.457 6.716 1.00 0.00 N ATOM 768 CA GLY A 51 -2.667 -4.892 6.840 1.00 0.00 C ATOM 769 C GLY A 51 -3.684 -3.875 6.320 1.00 0.00 C ATOM 770 O GLY A 51 -4.854 -4.222 6.159 1.00 0.00 O ATOM 0 H GLY A 51 -0.768 -4.944 5.981 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.794 -5.828 6.297 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.880 -5.101 7.888 1.00 0.00 H new ATOM 774 N PHE A 52 -3.272 -2.631 6.052 1.00 0.00 N ATOM 775 CA PHE A 52 -4.184 -1.617 5.543 1.00 0.00 C ATOM 776 C PHE A 52 -3.444 -0.564 4.718 1.00 0.00 C ATOM 777 O PHE A 52 -2.217 -0.529 4.688 1.00 0.00 O ATOM 778 CB PHE A 52 -4.944 -0.942 6.692 1.00 0.00 C ATOM 779 CG PHE A 52 -4.074 -0.208 7.680 1.00 0.00 C ATOM 780 CD1 PHE A 52 -3.515 -0.891 8.768 1.00 0.00 C ATOM 781 CD2 PHE A 52 -3.823 1.163 7.515 1.00 0.00 C ATOM 782 CE1 PHE A 52 -2.700 -0.209 9.684 1.00 0.00 C ATOM 783 CE2 PHE A 52 -3.013 1.843 8.428 1.00 0.00 C ATOM 784 CZ PHE A 52 -2.445 1.157 9.511 1.00 0.00 C ATOM 0 H PHE A 52 -2.313 -2.309 6.181 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.900 -2.120 4.893 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.663 -0.240 6.270 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.516 -1.701 7.226 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.712 -1.944 8.902 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.257 1.694 6.680 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.270 -0.737 10.522 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.824 2.899 8.299 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.812 1.682 10.211 1.00 0.00 H new ATOM 794 N ALA A 53 -4.212 0.300 4.048 1.00 0.00 N ATOM 795 CA ALA A 53 -3.696 1.406 3.257 1.00 0.00 C ATOM 796 C ALA A 53 -4.709 2.552 3.256 1.00 0.00 C ATOM 797 O ALA A 53 -5.848 2.376 3.690 1.00 0.00 O ATOM 798 CB ALA A 53 -3.424 0.923 1.831 1.00 0.00 C ATOM 0 H ALA A 53 -5.230 0.243 4.044 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.764 1.769 3.689 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.037 1.749 1.235 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.691 0.117 1.854 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.350 0.558 1.387 1.00 0.00 H new ATOM 804 N PHE A 54 -4.295 3.724 2.771 1.00 0.00 N ATOM 805 CA PHE A 54 -5.156 4.893 2.706 1.00 0.00 C ATOM 806 C PHE A 54 -4.984 5.618 1.378 1.00 0.00 C ATOM 807 O PHE A 54 -3.886 5.694 0.827 1.00 0.00 O ATOM 808 CB PHE A 54 -4.854 5.826 3.881 1.00 0.00 C ATOM 809 CG PHE A 54 -5.730 5.571 5.084 1.00 0.00 C ATOM 810 CD1 PHE A 54 -7.068 5.984 5.052 1.00 0.00 C ATOM 811 CD2 PHE A 54 -5.217 4.932 6.223 1.00 0.00 C ATOM 812 CE1 PHE A 54 -7.901 5.756 6.155 1.00 0.00 C ATOM 813 CE2 PHE A 54 -6.052 4.695 7.323 1.00 0.00 C ATOM 814 CZ PHE A 54 -7.391 5.109 7.288 1.00 0.00 C ATOM 0 H PHE A 54 -3.353 3.883 2.414 1.00 0.00 H new ATOM 0 HA PHE A 54 -6.195 4.569 2.775 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.809 5.710 4.169 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -4.983 6.859 3.558 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -7.458 6.479 4.175 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.182 4.624 6.252 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -8.932 6.078 6.132 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.664 4.194 8.197 1.00 0.00 H new ATOM 0 HZ PHE A 54 -8.032 4.928 8.138 1.00 0.00 H new ATOM 824 N VAL A 55 -6.091 6.159 0.869 1.00 0.00 N ATOM 825 CA VAL A 55 -6.104 6.913 -0.374 1.00 0.00 C ATOM 826 C VAL A 55 -6.899 8.191 -0.154 1.00 0.00 C ATOM 827 O VAL A 55 -7.895 8.189 0.568 1.00 0.00 O ATOM 828 CB VAL A 55 -6.687 6.069 -1.510 1.00 0.00 C ATOM 829 CG1 VAL A 55 -6.810 6.897 -2.788 1.00 0.00 C ATOM 830 CG2 VAL A 55 -5.781 4.874 -1.789 1.00 0.00 C ATOM 0 H VAL A 55 -7.006 6.083 1.313 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.087 7.174 -0.667 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.675 5.726 -1.204 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.226 6.279 -3.583 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.467 7.748 -2.608 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.825 7.256 -3.085 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.203 4.279 -2.599 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.791 5.227 -2.077 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.701 4.261 -0.891 1.00 0.00 H new ATOM 840 N GLN A 56 -6.453 9.277 -0.782 1.00 0.00 N ATOM 841 CA GLN A 56 -7.055 10.585 -0.626 1.00 0.00 C ATOM 842 C GLN A 56 -7.469 11.121 -1.993 1.00 0.00 C ATOM 843 O GLN A 56 -6.627 11.326 -2.866 1.00 0.00 O ATOM 844 CB GLN A 56 -6.035 11.497 0.064 1.00 0.00 C ATOM 845 CG GLN A 56 -6.629 12.344 1.191 1.00 0.00 C ATOM 846 CD GLN A 56 -7.653 13.357 0.698 1.00 0.00 C ATOM 847 OE1 GLN A 56 -7.345 14.534 0.540 1.00 0.00 O ATOM 848 NE2 GLN A 56 -8.874 12.901 0.454 1.00 0.00 N ATOM 0 H GLN A 56 -5.656 9.266 -1.418 1.00 0.00 H new ATOM 0 HA GLN A 56 -7.954 10.537 -0.012 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.229 10.885 0.468 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.591 12.158 -0.680 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -7.099 11.687 1.923 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.825 12.870 1.705 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -9.088 11.914 0.599 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -9.599 13.537 0.122 1.00 0.00 H new ATOM 857 N TYR A 57 -8.770 11.347 -2.167 1.00 0.00 N ATOM 858 CA TYR A 57 -9.329 11.902 -3.391 1.00 0.00 C ATOM 859 C TYR A 57 -9.614 13.393 -3.238 1.00 0.00 C ATOM 860 O TYR A 57 -9.397 13.973 -2.177 1.00 0.00 O ATOM 861 CB TYR A 57 -10.620 11.174 -3.762 1.00 0.00 C ATOM 862 CG TYR A 57 -10.456 9.755 -4.253 1.00 0.00 C ATOM 863 CD1 TYR A 57 -9.592 9.467 -5.317 1.00 0.00 C ATOM 864 CD2 TYR A 57 -11.195 8.727 -3.657 1.00 0.00 C ATOM 865 CE1 TYR A 57 -9.497 8.165 -5.819 1.00 0.00 C ATOM 866 CE2 TYR A 57 -11.116 7.422 -4.158 1.00 0.00 C ATOM 867 CZ TYR A 57 -10.271 7.140 -5.245 1.00 0.00 C ATOM 868 OH TYR A 57 -10.206 5.874 -5.737 1.00 0.00 O ATOM 0 H TYR A 57 -9.470 11.147 -1.453 1.00 0.00 H new ATOM 0 HA TYR A 57 -8.594 11.766 -4.184 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -11.273 11.163 -2.889 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -11.130 11.749 -4.535 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -8.996 10.255 -5.752 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -11.828 8.941 -2.808 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -8.833 7.948 -6.643 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -11.703 6.634 -3.710 1.00 0.00 H new ATOM 0 HH TYR A 57 -9.910 5.901 -6.671 1.00 0.00 H new ATOM 878 N VAL A 58 -10.103 14.020 -4.312 1.00 0.00 N ATOM 879 CA VAL A 58 -10.400 15.444 -4.312 1.00 0.00 C ATOM 880 C VAL A 58 -11.730 15.721 -3.610 1.00 0.00 C ATOM 881 O VAL A 58 -11.919 16.801 -3.048 1.00 0.00 O ATOM 882 CB VAL A 58 -10.432 15.949 -5.758 1.00 0.00 C ATOM 883 CG1 VAL A 58 -10.791 17.433 -5.827 1.00 0.00 C ATOM 884 CG2 VAL A 58 -9.062 15.761 -6.404 1.00 0.00 C ATOM 0 H VAL A 58 -10.301 13.553 -5.197 1.00 0.00 H new ATOM 0 HA VAL A 58 -9.622 15.974 -3.763 1.00 0.00 H new ATOM 0 HB VAL A 58 -11.192 15.373 -6.286 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.804 17.756 -6.868 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -11.775 17.590 -5.386 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -10.050 18.013 -5.277 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -9.092 16.122 -7.432 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -8.315 16.323 -5.843 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.799 14.703 -6.399 1.00 0.00 H new ATOM 894 N ASN A 59 -12.658 14.759 -3.637 1.00 0.00 N ATOM 895 CA ASN A 59 -13.982 14.948 -3.070 1.00 0.00 C ATOM 896 C ASN A 59 -14.602 13.626 -2.603 1.00 0.00 C ATOM 897 O ASN A 59 -14.035 12.551 -2.792 1.00 0.00 O ATOM 898 CB ASN A 59 -14.875 15.614 -4.120 1.00 0.00 C ATOM 899 CG ASN A 59 -14.950 14.773 -5.382 1.00 0.00 C ATOM 900 OD1 ASN A 59 -15.406 13.637 -5.353 1.00 0.00 O ATOM 901 ND2 ASN A 59 -14.504 15.321 -6.503 1.00 0.00 N ATOM 0 H ASN A 59 -12.508 13.839 -4.050 1.00 0.00 H new ATOM 0 HA ASN A 59 -13.895 15.584 -2.189 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -15.876 15.757 -3.714 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -14.485 16.603 -4.360 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -14.535 14.794 -7.376 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -14.130 16.270 -6.493 1.00 0.00 H new ATOM 908 N GLU A 60 -15.780 13.732 -1.988 1.00 0.00 N ATOM 909 CA GLU A 60 -16.516 12.604 -1.429 1.00 0.00 C ATOM 910 C GLU A 60 -17.040 11.673 -2.516 1.00 0.00 C ATOM 911 O GLU A 60 -17.120 10.464 -2.319 1.00 0.00 O ATOM 912 CB GLU A 60 -17.676 13.185 -0.614 1.00 0.00 C ATOM 913 CG GLU A 60 -18.723 12.126 -0.270 1.00 0.00 C ATOM 914 CD GLU A 60 -19.782 12.692 0.677 1.00 0.00 C ATOM 915 OE1 GLU A 60 -20.672 13.418 0.183 1.00 0.00 O ATOM 916 OE2 GLU A 60 -19.697 12.394 1.891 1.00 0.00 O ATOM 0 H GLU A 60 -16.257 14.625 -1.863 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.855 12.004 -0.803 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -17.289 13.624 0.306 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -18.147 13.990 -1.178 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -19.199 11.770 -1.183 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -18.238 11.266 0.193 1.00 0.00 H new ATOM 923 N ARG A 61 -17.395 12.241 -3.668 1.00 0.00 N ATOM 924 CA ARG A 61 -17.942 11.504 -4.797 1.00 0.00 C ATOM 925 C ARG A 61 -16.914 10.503 -5.320 1.00 0.00 C ATOM 926 O ARG A 61 -17.263 9.376 -5.664 1.00 0.00 O ATOM 927 CB ARG A 61 -18.368 12.562 -5.824 1.00 0.00 C ATOM 928 CG ARG A 61 -18.139 12.172 -7.283 1.00 0.00 C ATOM 929 CD ARG A 61 -19.045 11.019 -7.705 1.00 0.00 C ATOM 930 NE ARG A 61 -20.455 11.428 -7.735 1.00 0.00 N ATOM 931 CZ ARG A 61 -21.474 10.575 -7.851 1.00 0.00 C ATOM 932 NH1 ARG A 61 -21.262 9.264 -7.942 1.00 0.00 N ATOM 933 NH2 ARG A 61 -22.721 11.031 -7.877 1.00 0.00 N ATOM 0 H ARG A 61 -17.308 13.242 -3.842 1.00 0.00 H new ATOM 0 HA ARG A 61 -18.808 10.897 -4.532 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -19.427 12.778 -5.683 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -17.824 13.485 -5.620 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -18.324 13.034 -7.924 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -17.097 11.887 -7.425 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -18.747 10.662 -8.691 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -18.921 10.185 -7.014 1.00 0.00 H new ATOM 0 HE ARG A 61 -20.668 12.423 -7.663 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -20.310 8.899 -7.923 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -22.052 8.625 -8.030 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -22.899 12.033 -7.808 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -23.501 10.379 -7.966 1.00 0.00 H new ATOM 947 N ASN A 62 -15.644 10.904 -5.377 1.00 0.00 N ATOM 948 CA ASN A 62 -14.575 10.035 -5.844 1.00 0.00 C ATOM 949 C ASN A 62 -14.360 8.892 -4.850 1.00 0.00 C ATOM 950 O ASN A 62 -14.029 7.772 -5.242 1.00 0.00 O ATOM 951 CB ASN A 62 -13.302 10.873 -6.001 1.00 0.00 C ATOM 952 CG ASN A 62 -13.256 11.631 -7.321 1.00 0.00 C ATOM 953 OD1 ASN A 62 -12.270 11.567 -8.045 1.00 0.00 O ATOM 954 ND2 ASN A 62 -14.314 12.358 -7.657 1.00 0.00 N ATOM 0 H ASN A 62 -15.333 11.836 -5.102 1.00 0.00 H new ATOM 0 HA ASN A 62 -14.837 9.595 -6.806 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.235 11.583 -5.177 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.432 10.221 -5.931 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -14.317 12.879 -8.534 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -15.124 12.396 -7.038 1.00 0.00 H new ATOM 961 N ALA A 63 -14.545 9.156 -3.554 1.00 0.00 N ATOM 962 CA ALA A 63 -14.368 8.123 -2.546 1.00 0.00 C ATOM 963 C ALA A 63 -15.463 7.068 -2.645 1.00 0.00 C ATOM 964 O ALA A 63 -15.153 5.881 -2.563 1.00 0.00 O ATOM 965 CB ALA A 63 -14.345 8.750 -1.159 1.00 0.00 C ATOM 0 H ALA A 63 -14.815 10.069 -3.187 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.414 7.626 -2.723 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -14.212 7.970 -0.409 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -13.520 9.460 -1.094 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -15.286 9.270 -0.979 1.00 0.00 H new ATOM 971 N ARG A 64 -16.729 7.461 -2.824 1.00 0.00 N ATOM 972 CA ARG A 64 -17.795 6.485 -2.984 1.00 0.00 C ATOM 973 C ARG A 64 -17.597 5.678 -4.266 1.00 0.00 C ATOM 974 O ARG A 64 -18.105 4.564 -4.363 1.00 0.00 O ATOM 975 CB ARG A 64 -19.162 7.175 -3.037 1.00 0.00 C ATOM 976 CG ARG A 64 -19.749 7.411 -1.648 1.00 0.00 C ATOM 977 CD ARG A 64 -19.102 8.584 -0.915 1.00 0.00 C ATOM 978 NE ARG A 64 -19.662 8.714 0.439 1.00 0.00 N ATOM 979 CZ ARG A 64 -20.797 9.357 0.731 1.00 0.00 C ATOM 980 NH1 ARG A 64 -21.497 9.978 -0.216 1.00 0.00 N ATOM 981 NH2 ARG A 64 -21.242 9.380 1.983 1.00 0.00 N ATOM 0 H ARG A 64 -17.031 8.435 -2.860 1.00 0.00 H new ATOM 0 HA ARG A 64 -17.762 5.817 -2.124 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -19.064 8.130 -3.554 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -19.851 6.565 -3.621 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -20.820 7.593 -1.739 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -19.629 6.507 -1.051 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -18.024 8.435 -0.857 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -19.266 9.505 -1.474 1.00 0.00 H new ATOM 0 HE ARG A 64 -19.149 8.284 1.208 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -21.169 9.968 -1.182 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -22.361 10.464 0.024 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -20.718 8.908 2.719 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -22.108 9.870 2.208 1.00 0.00 H new ATOM 995 N ALA A 65 -16.869 6.220 -5.246 1.00 0.00 N ATOM 996 CA ALA A 65 -16.641 5.525 -6.503 1.00 0.00 C ATOM 997 C ALA A 65 -15.753 4.301 -6.296 1.00 0.00 C ATOM 998 O ALA A 65 -16.006 3.249 -6.879 1.00 0.00 O ATOM 999 CB ALA A 65 -15.991 6.484 -7.497 1.00 0.00 C ATOM 0 H ALA A 65 -16.430 7.139 -5.187 1.00 0.00 H new ATOM 0 HA ALA A 65 -17.599 5.183 -6.896 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -15.818 5.967 -8.441 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -16.650 7.336 -7.665 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -15.040 6.835 -7.096 1.00 0.00 H new ATOM 1005 N ALA A 66 -14.714 4.430 -5.464 1.00 0.00 N ATOM 1006 CA ALA A 66 -13.825 3.307 -5.195 1.00 0.00 C ATOM 1007 C ALA A 66 -14.294 2.487 -3.995 1.00 0.00 C ATOM 1008 O ALA A 66 -14.021 1.291 -3.923 1.00 0.00 O ATOM 1009 CB ALA A 66 -12.417 3.841 -4.985 1.00 0.00 C ATOM 0 H ALA A 66 -14.474 5.291 -4.973 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.835 2.631 -6.050 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.740 3.011 -4.782 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.089 4.366 -5.882 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.411 4.529 -4.140 1.00 0.00 H new ATOM 1015 N VAL A 67 -15.004 3.110 -3.053 1.00 0.00 N ATOM 1016 CA VAL A 67 -15.561 2.413 -1.897 1.00 0.00 C ATOM 1017 C VAL A 67 -16.672 1.457 -2.332 1.00 0.00 C ATOM 1018 O VAL A 67 -16.981 0.504 -1.623 1.00 0.00 O ATOM 1019 CB VAL A 67 -16.036 3.435 -0.859 1.00 0.00 C ATOM 1020 CG1 VAL A 67 -17.057 2.841 0.107 1.00 0.00 C ATOM 1021 CG2 VAL A 67 -14.823 3.928 -0.069 1.00 0.00 C ATOM 0 H VAL A 67 -15.208 4.109 -3.071 1.00 0.00 H new ATOM 0 HA VAL A 67 -14.790 1.802 -1.428 1.00 0.00 H new ATOM 0 HB VAL A 67 -16.521 4.256 -1.387 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -17.365 3.602 0.824 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -17.927 2.495 -0.451 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -16.609 2.001 0.639 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -15.145 4.657 0.675 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.348 3.085 0.432 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -14.111 4.394 -0.750 1.00 0.00 H new ATOM 1031 N ALA A 68 -17.279 1.707 -3.494 1.00 0.00 N ATOM 1032 CA ALA A 68 -18.265 0.802 -4.068 1.00 0.00 C ATOM 1033 C ALA A 68 -17.746 0.138 -5.346 1.00 0.00 C ATOM 1034 O ALA A 68 -18.390 -0.776 -5.860 1.00 0.00 O ATOM 1035 CB ALA A 68 -19.554 1.579 -4.330 1.00 0.00 C ATOM 0 H ALA A 68 -17.099 2.538 -4.057 1.00 0.00 H new ATOM 0 HA ALA A 68 -18.464 -0.003 -3.360 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -20.300 0.911 -4.760 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -19.930 1.987 -3.392 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -19.353 2.394 -5.025 1.00 0.00 H new ATOM 1041 N GLY A 69 -16.596 0.586 -5.865 1.00 0.00 N ATOM 1042 CA GLY A 69 -16.039 0.052 -7.099 1.00 0.00 C ATOM 1043 C GLY A 69 -14.955 -1.006 -6.884 1.00 0.00 C ATOM 1044 O GLY A 69 -14.720 -1.816 -7.780 1.00 0.00 O ATOM 0 H GLY A 69 -16.034 1.324 -5.440 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -16.844 -0.382 -7.691 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -15.621 0.873 -7.682 1.00 0.00 H new ATOM 1048 N GLU A 70 -14.297 -1.013 -5.719 1.00 0.00 N ATOM 1049 CA GLU A 70 -13.199 -1.937 -5.438 1.00 0.00 C ATOM 1050 C GLU A 70 -13.447 -2.756 -4.174 1.00 0.00 C ATOM 1051 O GLU A 70 -12.753 -3.742 -3.945 1.00 0.00 O ATOM 1052 CB GLU A 70 -11.894 -1.145 -5.285 1.00 0.00 C ATOM 1053 CG GLU A 70 -11.453 -0.487 -6.591 1.00 0.00 C ATOM 1054 CD GLU A 70 -10.955 -1.520 -7.597 1.00 0.00 C ATOM 1055 OE1 GLU A 70 -9.752 -1.850 -7.538 1.00 0.00 O ATOM 1056 OE2 GLU A 70 -11.774 -1.976 -8.427 1.00 0.00 O ATOM 0 H GLU A 70 -14.512 -0.380 -4.949 1.00 0.00 H new ATOM 0 HA GLU A 70 -13.128 -2.632 -6.274 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.026 -0.378 -4.522 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -11.107 -1.812 -4.934 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.288 0.068 -7.020 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.662 0.235 -6.387 1.00 0.00 H new ATOM 1063 N ASP A 71 -14.420 -2.373 -3.342 1.00 0.00 N ATOM 1064 CA ASP A 71 -14.665 -3.093 -2.104 1.00 0.00 C ATOM 1065 C ASP A 71 -15.017 -4.555 -2.389 1.00 0.00 C ATOM 1066 O ASP A 71 -15.889 -4.839 -3.213 1.00 0.00 O ATOM 1067 CB ASP A 71 -15.767 -2.394 -1.313 1.00 0.00 C ATOM 1068 CG ASP A 71 -16.145 -3.205 -0.080 1.00 0.00 C ATOM 1069 OD1 ASP A 71 -15.208 -3.628 0.633 1.00 0.00 O ATOM 1070 OD2 ASP A 71 -17.362 -3.400 0.140 1.00 0.00 O ATOM 0 H ASP A 71 -15.039 -1.579 -3.506 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.757 -3.091 -1.501 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.431 -1.401 -1.012 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -16.644 -2.256 -1.946 1.00 0.00 H new ATOM 1075 N GLY A 72 -14.335 -5.479 -1.706 1.00 0.00 N ATOM 1076 CA GLY A 72 -14.587 -6.907 -1.840 1.00 0.00 C ATOM 1077 C GLY A 72 -13.842 -7.532 -3.022 1.00 0.00 C ATOM 1078 O GLY A 72 -14.153 -8.662 -3.399 1.00 0.00 O ATOM 0 H GLY A 72 -13.592 -5.252 -1.045 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -14.289 -7.412 -0.921 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -15.657 -7.073 -1.962 1.00 0.00 H new ATOM 1082 N ARG A 73 -12.872 -6.824 -3.611 1.00 0.00 N ATOM 1083 CA ARG A 73 -12.133 -7.346 -4.758 1.00 0.00 C ATOM 1084 C ARG A 73 -10.892 -8.112 -4.311 1.00 0.00 C ATOM 1085 O ARG A 73 -10.425 -7.943 -3.187 1.00 0.00 O ATOM 1086 CB ARG A 73 -11.774 -6.228 -5.734 1.00 0.00 C ATOM 1087 CG ARG A 73 -10.515 -5.453 -5.330 1.00 0.00 C ATOM 1088 CD ARG A 73 -9.965 -4.685 -6.529 1.00 0.00 C ATOM 1089 NE ARG A 73 -9.293 -5.596 -7.465 1.00 0.00 N ATOM 1090 CZ ARG A 73 -8.571 -5.199 -8.515 1.00 0.00 C ATOM 1091 NH1 ARG A 73 -8.439 -3.908 -8.807 1.00 0.00 N ATOM 1092 NH2 ARG A 73 -7.972 -6.104 -9.287 1.00 0.00 N ATOM 0 H ARG A 73 -12.584 -5.893 -3.312 1.00 0.00 H new ATOM 0 HA ARG A 73 -12.782 -8.048 -5.282 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -11.627 -6.654 -6.726 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -12.612 -5.535 -5.806 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -10.748 -4.761 -4.521 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -9.760 -6.142 -4.952 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -10.777 -4.166 -7.038 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -9.264 -3.923 -6.189 1.00 0.00 H new ATOM 0 HE ARG A 73 -9.384 -6.599 -7.302 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -8.893 -3.204 -8.225 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.884 -3.622 -9.613 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -8.066 -7.097 -9.075 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -7.420 -5.804 -10.090 1.00 0.00 H new ATOM 1106 N MET A 74 -10.352 -8.948 -5.197 1.00 0.00 N ATOM 1107 CA MET A 74 -9.124 -9.672 -4.917 1.00 0.00 C ATOM 1108 C MET A 74 -7.917 -8.974 -5.536 1.00 0.00 C ATOM 1109 O MET A 74 -7.980 -8.489 -6.666 1.00 0.00 O ATOM 1110 CB MET A 74 -9.250 -11.117 -5.401 1.00 0.00 C ATOM 1111 CG MET A 74 -7.912 -11.839 -5.254 1.00 0.00 C ATOM 1112 SD MET A 74 -8.050 -13.636 -5.126 1.00 0.00 S ATOM 1113 CE MET A 74 -8.729 -13.696 -3.452 1.00 0.00 C ATOM 0 H MET A 74 -10.751 -9.137 -6.116 1.00 0.00 H new ATOM 0 HA MET A 74 -8.963 -9.685 -3.839 1.00 0.00 H new ATOM 0 HB2 MET A 74 -10.017 -11.636 -4.826 1.00 0.00 H new ATOM 0 HB3 MET A 74 -9.568 -11.133 -6.443 1.00 0.00 H new ATOM 0 HG2 MET A 74 -7.284 -11.594 -6.110 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.403 -11.461 -4.367 1.00 0.00 H new ATOM 0 HE1 MET A 74 -8.290 -14.534 -2.911 1.00 0.00 H new ATOM 0 HE2 MET A 74 -8.497 -12.767 -2.932 1.00 0.00 H new ATOM 0 HE3 MET A 74 -9.810 -13.824 -3.502 1.00 0.00 H new ATOM 1123 N ILE A 75 -6.821 -8.934 -4.775 1.00 0.00 N ATOM 1124 CA ILE A 75 -5.541 -8.388 -5.197 1.00 0.00 C ATOM 1125 C ILE A 75 -4.445 -9.249 -4.580 1.00 0.00 C ATOM 1126 O ILE A 75 -4.523 -9.607 -3.406 1.00 0.00 O ATOM 1127 CB ILE A 75 -5.412 -6.923 -4.747 1.00 0.00 C ATOM 1128 CG1 ILE A 75 -6.625 -6.098 -5.206 1.00 0.00 C ATOM 1129 CG2 ILE A 75 -4.115 -6.313 -5.290 1.00 0.00 C ATOM 1130 CD1 ILE A 75 -6.573 -4.654 -4.709 1.00 0.00 C ATOM 0 H ILE A 75 -6.805 -9.293 -3.820 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.456 -8.401 -6.284 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.381 -6.902 -3.658 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -6.672 -6.102 -6.295 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.539 -6.570 -4.845 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.036 -5.276 -4.964 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.262 -6.877 -4.913 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.123 -6.351 -6.379 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -7.453 -4.116 -5.062 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.554 -4.645 -3.619 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.674 -4.170 -5.091 1.00 0.00 H new ATOM 1142 N ALA A 76 -3.417 -9.585 -5.367 1.00 0.00 N ATOM 1143 CA ALA A 76 -2.296 -10.414 -4.935 1.00 0.00 C ATOM 1144 C ALA A 76 -2.709 -11.746 -4.289 1.00 0.00 C ATOM 1145 O ALA A 76 -1.877 -12.399 -3.660 1.00 0.00 O ATOM 1146 CB ALA A 76 -1.376 -9.598 -4.026 1.00 0.00 C ATOM 0 H ALA A 76 -3.343 -9.281 -6.338 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.752 -10.707 -5.833 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.539 -10.218 -3.704 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.998 -8.734 -4.572 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -1.934 -9.260 -3.153 1.00 0.00 H new ATOM 1152 N GLY A 77 -3.974 -12.161 -4.430 1.00 0.00 N ATOM 1153 CA GLY A 77 -4.445 -13.448 -3.936 1.00 0.00 C ATOM 1154 C GLY A 77 -5.321 -13.341 -2.690 1.00 0.00 C ATOM 1155 O GLY A 77 -5.827 -14.360 -2.224 1.00 0.00 O ATOM 0 H GLY A 77 -4.696 -11.608 -4.892 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.009 -13.946 -4.725 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.585 -14.079 -3.712 1.00 0.00 H new ATOM 1159 N GLN A 78 -5.508 -12.135 -2.143 1.00 0.00 N ATOM 1160 CA GLN A 78 -6.364 -11.920 -0.982 1.00 0.00 C ATOM 1161 C GLN A 78 -7.373 -10.814 -1.278 1.00 0.00 C ATOM 1162 O GLN A 78 -7.199 -10.041 -2.218 1.00 0.00 O ATOM 1163 CB GLN A 78 -5.533 -11.565 0.258 1.00 0.00 C ATOM 1164 CG GLN A 78 -4.651 -12.715 0.760 1.00 0.00 C ATOM 1165 CD GLN A 78 -3.504 -13.044 -0.191 1.00 0.00 C ATOM 1166 OE1 GLN A 78 -3.311 -14.197 -0.574 1.00 0.00 O ATOM 1167 NE2 GLN A 78 -2.727 -12.037 -0.578 1.00 0.00 N ATOM 0 H GLN A 78 -5.069 -11.285 -2.496 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.899 -12.846 -0.774 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.900 -10.708 0.027 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -6.205 -11.258 1.059 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.243 -12.453 1.736 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -5.267 -13.604 0.900 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -2.913 -11.092 -0.243 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -1.945 -12.210 -1.210 1.00 0.00 H new ATOM 1176 N VAL A 79 -8.434 -10.743 -0.473 1.00 0.00 N ATOM 1177 CA VAL A 79 -9.471 -9.730 -0.628 1.00 0.00 C ATOM 1178 C VAL A 79 -9.274 -8.625 0.402 1.00 0.00 C ATOM 1179 O VAL A 79 -8.795 -8.870 1.508 1.00 0.00 O ATOM 1180 CB VAL A 79 -10.866 -10.359 -0.514 1.00 0.00 C ATOM 1181 CG1 VAL A 79 -11.977 -9.309 -0.589 1.00 0.00 C ATOM 1182 CG2 VAL A 79 -11.072 -11.357 -1.657 1.00 0.00 C ATOM 0 H VAL A 79 -8.596 -11.386 0.302 1.00 0.00 H new ATOM 0 HA VAL A 79 -9.392 -9.290 -1.622 1.00 0.00 H new ATOM 0 HB VAL A 79 -10.920 -10.854 0.456 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -12.947 -9.799 -0.504 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -11.859 -8.595 0.226 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -11.918 -8.784 -1.542 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -12.063 -11.804 -1.576 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -10.984 -10.839 -2.612 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.315 -12.139 -1.598 1.00 0.00 H new ATOM 1192 N LEU A 80 -9.652 -7.407 0.024 1.00 0.00 N ATOM 1193 CA LEU A 80 -9.534 -6.231 0.863 1.00 0.00 C ATOM 1194 C LEU A 80 -10.907 -5.606 1.064 1.00 0.00 C ATOM 1195 O LEU A 80 -11.753 -5.615 0.169 1.00 0.00 O ATOM 1196 CB LEU A 80 -8.509 -5.214 0.327 1.00 0.00 C ATOM 1197 CG LEU A 80 -8.194 -5.226 -1.174 1.00 0.00 C ATOM 1198 CD1 LEU A 80 -7.457 -6.496 -1.604 1.00 0.00 C ATOM 1199 CD2 LEU A 80 -9.448 -5.013 -2.018 1.00 0.00 C ATOM 0 H LEU A 80 -10.056 -7.212 -0.892 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.146 -6.547 1.831 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.864 -4.216 0.585 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.574 -5.369 0.865 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.523 -4.386 -1.352 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.257 -6.456 -2.675 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.515 -6.571 -1.062 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.074 -7.367 -1.382 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.182 -5.028 -3.075 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -10.164 -5.808 -1.813 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -9.894 -4.050 -1.770 1.00 0.00 H new ATOM 1211 N ASP A 81 -11.112 -5.067 2.263 1.00 0.00 N ATOM 1212 CA ASP A 81 -12.361 -4.442 2.652 1.00 0.00 C ATOM 1213 C ASP A 81 -12.178 -2.932 2.593 1.00 0.00 C ATOM 1214 O ASP A 81 -11.307 -2.380 3.266 1.00 0.00 O ATOM 1215 CB ASP A 81 -12.732 -4.927 4.049 1.00 0.00 C ATOM 1216 CG ASP A 81 -13.981 -4.233 4.579 1.00 0.00 C ATOM 1217 OD1 ASP A 81 -15.006 -4.267 3.867 1.00 0.00 O ATOM 1218 OD2 ASP A 81 -13.890 -3.672 5.692 1.00 0.00 O ATOM 0 H ASP A 81 -10.403 -5.055 2.996 1.00 0.00 H new ATOM 0 HA ASP A 81 -13.176 -4.710 1.980 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.897 -6.004 4.027 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -11.900 -4.746 4.729 1.00 0.00 H new ATOM 1223 N ILE A 82 -13.000 -2.261 1.787 1.00 0.00 N ATOM 1224 CA ILE A 82 -12.853 -0.840 1.533 1.00 0.00 C ATOM 1225 C ILE A 82 -14.116 -0.104 1.967 1.00 0.00 C ATOM 1226 O ILE A 82 -15.230 -0.572 1.731 1.00 0.00 O ATOM 1227 CB ILE A 82 -12.567 -0.647 0.044 1.00 0.00 C ATOM 1228 CG1 ILE A 82 -11.282 -1.384 -0.351 1.00 0.00 C ATOM 1229 CG2 ILE A 82 -12.443 0.833 -0.303 1.00 0.00 C ATOM 1230 CD1 ILE A 82 -11.218 -1.578 -1.861 1.00 0.00 C ATOM 0 H ILE A 82 -13.783 -2.692 1.296 1.00 0.00 H new ATOM 0 HA ILE A 82 -12.024 -0.426 2.107 1.00 0.00 H new ATOM 0 HB ILE A 82 -13.405 -1.063 -0.516 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -10.413 -0.818 -0.014 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -11.244 -2.353 0.148 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -12.240 0.941 -1.368 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -13.374 1.343 -0.058 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -11.626 1.274 0.269 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -10.299 -2.103 -2.122 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -12.076 -2.164 -2.189 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -11.233 -0.606 -2.354 1.00 0.00 H new ATOM 1242 N ASN A 83 -13.943 1.056 2.605 1.00 0.00 N ATOM 1243 CA ASN A 83 -15.054 1.867 3.083 1.00 0.00 C ATOM 1244 C ASN A 83 -14.609 3.321 3.225 1.00 0.00 C ATOM 1245 O ASN A 83 -13.411 3.609 3.211 1.00 0.00 O ATOM 1246 CB ASN A 83 -15.588 1.311 4.406 1.00 0.00 C ATOM 1247 CG ASN A 83 -14.545 1.329 5.517 1.00 0.00 C ATOM 1248 OD1 ASN A 83 -13.802 0.369 5.690 1.00 0.00 O ATOM 1249 ND2 ASN A 83 -14.482 2.420 6.275 1.00 0.00 N ATOM 0 H ASN A 83 -13.026 1.456 2.803 1.00 0.00 H new ATOM 0 HA ASN A 83 -15.867 1.830 2.358 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -16.454 1.895 4.717 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -15.932 0.288 4.253 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -13.799 2.478 7.030 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -15.117 3.199 6.101 1.00 0.00 H new ATOM 1256 N LEU A 84 -15.565 4.242 3.363 1.00 0.00 N ATOM 1257 CA LEU A 84 -15.230 5.647 3.533 1.00 0.00 C ATOM 1258 C LEU A 84 -14.516 5.828 4.868 1.00 0.00 C ATOM 1259 O LEU A 84 -14.802 5.104 5.821 1.00 0.00 O ATOM 1260 CB LEU A 84 -16.492 6.505 3.505 1.00 0.00 C ATOM 1261 CG LEU A 84 -16.303 7.714 2.586 1.00 0.00 C ATOM 1262 CD1 LEU A 84 -16.540 7.325 1.134 1.00 0.00 C ATOM 1263 CD2 LEU A 84 -17.287 8.807 2.982 1.00 0.00 C ATOM 0 H LEU A 84 -16.564 4.039 3.360 1.00 0.00 H new ATOM 0 HA LEU A 84 -14.580 5.962 2.716 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -17.336 5.908 3.160 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -16.731 6.842 4.514 1.00 0.00 H new ATOM 0 HG LEU A 84 -15.280 8.077 2.689 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -16.401 8.198 0.496 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -15.832 6.548 0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -17.557 6.950 1.019 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -17.155 9.670 2.329 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -18.306 8.432 2.886 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -17.106 9.103 4.015 1.00 0.00 H new ATOM 1275 N ALA A 85 -13.590 6.785 4.951 1.00 0.00 N ATOM 1276 CA ALA A 85 -12.765 6.943 6.141 1.00 0.00 C ATOM 1277 C ALA A 85 -13.555 7.433 7.357 1.00 0.00 C ATOM 1278 O ALA A 85 -12.993 7.543 8.445 1.00 0.00 O ATOM 1279 CB ALA A 85 -11.614 7.886 5.816 1.00 0.00 C ATOM 0 H ALA A 85 -13.396 7.458 4.209 1.00 0.00 H new ATOM 0 HA ALA A 85 -12.379 5.962 6.419 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -10.988 8.013 6.699 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -11.018 7.467 5.006 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -12.012 8.854 5.511 1.00 0.00 H new ATOM 1285 N ALA A 86 -14.845 7.726 7.187 1.00 0.00 N ATOM 1286 CA ALA A 86 -15.706 8.156 8.271 1.00 0.00 C ATOM 1287 C ALA A 86 -16.994 7.334 8.314 1.00 0.00 C ATOM 1288 O ALA A 86 -17.915 7.679 9.054 1.00 0.00 O ATOM 1289 CB ALA A 86 -16.002 9.648 8.118 1.00 0.00 C ATOM 0 H ALA A 86 -15.317 7.669 6.285 1.00 0.00 H new ATOM 0 HA ALA A 86 -15.194 7.992 9.219 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -16.649 9.976 8.931 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -15.068 10.209 8.149 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -16.500 9.824 7.164 1.00 0.00 H new ATOM 1295 N GLU A 87 -17.066 6.252 7.529 1.00 0.00 N ATOM 1296 CA GLU A 87 -18.263 5.423 7.452 1.00 0.00 C ATOM 1297 C GLU A 87 -17.922 3.929 7.423 1.00 0.00 C ATOM 1298 O GLU A 87 -18.282 3.230 6.475 1.00 0.00 O ATOM 1299 CB GLU A 87 -19.121 5.821 6.244 1.00 0.00 C ATOM 1300 CG GLU A 87 -19.549 7.288 6.314 1.00 0.00 C ATOM 1301 CD GLU A 87 -20.654 7.578 5.302 1.00 0.00 C ATOM 1302 OE1 GLU A 87 -20.313 7.876 4.137 1.00 0.00 O ATOM 1303 OE2 GLU A 87 -21.840 7.499 5.700 1.00 0.00 O ATOM 0 H GLU A 87 -16.300 5.933 6.936 1.00 0.00 H new ATOM 0 HA GLU A 87 -18.845 5.599 8.357 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -18.559 5.649 5.326 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -20.005 5.185 6.200 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -19.900 7.522 7.319 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -18.692 7.932 6.118 1.00 0.00 H new ATOM 1310 N PRO A 88 -17.229 3.420 8.453 1.00 0.00 N ATOM 1311 CA PRO A 88 -16.897 2.013 8.572 1.00 0.00 C ATOM 1312 C PRO A 88 -18.146 1.199 8.908 1.00 0.00 C ATOM 1313 O PRO A 88 -18.612 1.198 10.048 1.00 0.00 O ATOM 1314 CB PRO A 88 -15.863 1.938 9.698 1.00 0.00 C ATOM 1315 CG PRO A 88 -16.199 3.145 10.573 1.00 0.00 C ATOM 1316 CD PRO A 88 -16.719 4.178 9.578 1.00 0.00 C ATOM 0 HA PRO A 88 -16.503 1.600 7.643 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -15.943 1.004 10.255 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -14.845 1.993 9.312 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -16.950 2.899 11.324 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -15.321 3.509 11.107 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -17.502 4.791 10.024 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -15.924 4.855 9.265 1.00 0.00 H new ATOM 1324 N LYS A 89 -18.691 0.502 7.907 1.00 0.00 N ATOM 1325 CA LYS A 89 -19.828 -0.384 8.092 1.00 0.00 C ATOM 1326 C LYS A 89 -19.365 -1.737 8.634 1.00 0.00 C ATOM 1327 O LYS A 89 -20.179 -2.560 9.050 1.00 0.00 O ATOM 1328 CB LYS A 89 -20.537 -0.519 6.740 1.00 0.00 C ATOM 1329 CG LYS A 89 -21.906 -1.193 6.841 1.00 0.00 C ATOM 1330 CD LYS A 89 -22.849 -0.395 7.742 1.00 0.00 C ATOM 1331 CE LYS A 89 -24.234 -1.026 7.661 1.00 0.00 C ATOM 1332 NZ LYS A 89 -25.204 -0.315 8.515 1.00 0.00 N ATOM 0 H LYS A 89 -18.351 0.541 6.946 1.00 0.00 H new ATOM 0 HA LYS A 89 -20.525 0.022 8.825 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -20.658 0.471 6.301 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -19.906 -1.093 6.062 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -22.342 -1.288 5.847 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -21.789 -2.202 7.235 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -22.488 -0.402 8.770 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -22.887 0.647 7.424 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -24.580 -1.014 6.628 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -24.177 -2.071 7.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -26.136 -0.771 8.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -24.885 -0.348 9.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -25.276 0.676 8.208 1.00 0.00 H new ATOM 1346 N VAL A 90 -18.048 -1.961 8.626 1.00 0.00 N ATOM 1347 CA VAL A 90 -17.429 -3.197 9.084 1.00 0.00 C ATOM 1348 C VAL A 90 -17.102 -3.110 10.574 1.00 0.00 C ATOM 1349 O VAL A 90 -17.015 -2.019 11.137 1.00 0.00 O ATOM 1350 CB VAL A 90 -16.182 -3.481 8.233 1.00 0.00 C ATOM 1351 CG1 VAL A 90 -15.079 -2.462 8.544 1.00 0.00 C ATOM 1352 CG2 VAL A 90 -15.658 -4.899 8.453 1.00 0.00 C ATOM 0 H VAL A 90 -17.374 -1.272 8.294 1.00 0.00 H new ATOM 0 HA VAL A 90 -18.122 -4.029 8.961 1.00 0.00 H new ATOM 0 HB VAL A 90 -16.473 -3.389 7.187 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -14.202 -2.677 7.933 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -15.439 -1.457 8.322 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -14.811 -2.526 9.599 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -14.776 -5.061 7.834 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -15.394 -5.031 9.502 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -16.430 -5.619 8.180 1.00 0.00 H new ATOM 1362 N ASN A 91 -16.920 -4.270 11.210 1.00 0.00 N ATOM 1363 CA ASN A 91 -16.629 -4.362 12.632 1.00 0.00 C ATOM 1364 C ASN A 91 -15.123 -4.362 12.897 1.00 0.00 C ATOM 1365 O ASN A 91 -14.697 -4.529 14.038 1.00 0.00 O ATOM 1366 CB ASN A 91 -17.272 -5.625 13.205 1.00 0.00 C ATOM 1367 CG ASN A 91 -18.675 -5.859 12.666 1.00 0.00 C ATOM 1368 OD1 ASN A 91 -19.662 -5.428 13.253 1.00 0.00 O ATOM 1369 ND2 ASN A 91 -18.758 -6.552 11.534 1.00 0.00 N ATOM 0 H ASN A 91 -16.972 -5.176 10.744 1.00 0.00 H new ATOM 0 HA ASN A 91 -17.048 -3.485 13.126 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -16.647 -6.486 12.969 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -17.312 -5.548 14.292 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -19.670 -6.744 11.120 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -17.910 -6.891 11.080 1.00 0.00 H new ATOM 1376 N ARG A 92 -14.323 -4.180 11.840 1.00 0.00 N ATOM 1377 CA ARG A 92 -12.866 -4.271 11.893 1.00 0.00 C ATOM 1378 C ARG A 92 -12.414 -5.540 12.614 1.00 0.00 C ATOM 1379 O ARG A 92 -11.666 -5.488 13.587 1.00 0.00 O ATOM 1380 CB ARG A 92 -12.264 -2.990 12.481 1.00 0.00 C ATOM 1381 CG ARG A 92 -12.442 -1.832 11.492 1.00 0.00 C ATOM 1382 CD ARG A 92 -11.676 -0.590 11.950 1.00 0.00 C ATOM 1383 NE ARG A 92 -12.165 -0.097 13.243 1.00 0.00 N ATOM 1384 CZ ARG A 92 -11.436 -0.031 14.362 1.00 0.00 C ATOM 1385 NH1 ARG A 92 -10.163 -0.420 14.386 1.00 0.00 N ATOM 1386 NH2 ARG A 92 -11.990 0.432 15.480 1.00 0.00 N ATOM 0 H ARG A 92 -14.680 -3.962 10.910 1.00 0.00 H new ATOM 0 HA ARG A 92 -12.483 -4.355 10.876 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -12.749 -2.750 13.427 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -11.205 -3.139 12.694 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -12.091 -2.136 10.506 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -13.501 -1.594 11.394 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -10.615 -0.825 12.028 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -11.774 0.195 11.200 1.00 0.00 H new ATOM 0 HE ARG A 92 -13.134 0.219 13.292 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -9.723 -0.778 13.538 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -9.628 -0.360 15.252 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -12.964 0.734 15.479 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -11.440 0.485 16.337 1.00 0.00 H new ATOM 1400 N GLY A 93 -12.883 -6.688 12.117 1.00 0.00 N ATOM 1401 CA GLY A 93 -12.590 -7.990 12.696 1.00 0.00 C ATOM 1402 C GLY A 93 -11.169 -8.483 12.418 1.00 0.00 C ATOM 1403 O GLY A 93 -10.827 -9.599 12.807 1.00 0.00 O ATOM 0 H GLY A 93 -13.482 -6.734 11.293 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -12.743 -7.941 13.774 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -13.300 -8.719 12.306 1.00 0.00 H new ATOM 1407 N LYS A 94 -10.343 -7.666 11.751 1.00 0.00 N ATOM 1408 CA LYS A 94 -8.950 -7.976 11.450 1.00 0.00 C ATOM 1409 C LYS A 94 -8.749 -9.283 10.686 1.00 0.00 C ATOM 1410 O LYS A 94 -7.640 -9.813 10.658 1.00 0.00 O ATOM 1411 CB LYS A 94 -8.122 -7.945 12.734 1.00 0.00 C ATOM 1412 CG LYS A 94 -8.312 -6.630 13.495 1.00 0.00 C ATOM 1413 CD LYS A 94 -7.375 -6.564 14.702 1.00 0.00 C ATOM 1414 CE LYS A 94 -7.639 -7.703 15.690 1.00 0.00 C ATOM 1415 NZ LYS A 94 -8.983 -7.605 16.287 1.00 0.00 N ATOM 0 H LYS A 94 -10.636 -6.754 11.401 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.599 -7.200 10.770 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -8.409 -8.780 13.373 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.068 -8.076 12.491 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.117 -5.788 12.831 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.347 -6.542 13.826 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -6.340 -6.610 14.362 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -7.501 -5.607 15.208 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -7.537 -8.660 15.178 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.888 -7.682 16.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -9.077 -8.309 17.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -9.120 -6.651 16.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -9.701 -7.786 15.557 1.00 0.00 H new ATOM 1429 N ALA A 95 -9.806 -9.815 10.065 1.00 0.00 N ATOM 1430 CA ALA A 95 -9.720 -11.058 9.320 1.00 0.00 C ATOM 1431 C ALA A 95 -10.664 -11.044 8.122 1.00 0.00 C ATOM 1432 O ALA A 95 -11.687 -10.360 8.137 1.00 0.00 O ATOM 1433 CB ALA A 95 -10.041 -12.220 10.260 1.00 0.00 C ATOM 0 H ALA A 95 -10.735 -9.394 10.069 1.00 0.00 H new ATOM 0 HA ALA A 95 -8.709 -11.178 8.930 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -9.980 -13.160 9.711 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -9.325 -12.232 11.081 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -11.048 -12.098 10.659 1.00 0.00 H new ATOM 1439 N GLY A 96 -10.316 -11.806 7.081 1.00 0.00 N ATOM 1440 CA GLY A 96 -11.095 -11.885 5.852 1.00 0.00 C ATOM 1441 C GLY A 96 -12.327 -12.778 5.992 1.00 0.00 C ATOM 1442 O GLY A 96 -13.049 -12.987 5.018 1.00 0.00 O ATOM 0 H GLY A 96 -9.478 -12.388 7.072 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -11.409 -10.883 5.560 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -10.463 -12.267 5.050 1.00 0.00 H new ATOM 1446 N VAL A 97 -12.572 -13.305 7.196 1.00 0.00 N ATOM 1447 CA VAL A 97 -13.717 -14.170 7.463 1.00 0.00 C ATOM 1448 C VAL A 97 -15.002 -13.347 7.510 1.00 0.00 C ATOM 1449 O VAL A 97 -16.093 -13.870 7.270 1.00 0.00 O ATOM 1450 CB VAL A 97 -13.490 -14.904 8.788 1.00 0.00 C ATOM 1451 CG1 VAL A 97 -14.651 -15.848 9.107 1.00 0.00 C ATOM 1452 CG2 VAL A 97 -12.203 -15.730 8.726 1.00 0.00 C ATOM 0 H VAL A 97 -11.980 -13.142 8.010 1.00 0.00 H new ATOM 0 HA VAL A 97 -13.819 -14.903 6.662 1.00 0.00 H new ATOM 0 HB VAL A 97 -13.416 -14.146 9.568 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -14.459 -16.354 10.053 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -15.575 -15.275 9.182 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -14.747 -16.588 8.313 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -12.056 -16.246 9.675 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -12.279 -16.463 7.923 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -11.356 -15.071 8.536 1.00 0.00 H new ATOM 1462 N LYS A 98 -14.878 -12.054 7.821 1.00 0.00 N ATOM 1463 CA LYS A 98 -16.010 -11.148 7.891 1.00 0.00 C ATOM 1464 C LYS A 98 -16.395 -10.653 6.503 1.00 0.00 C ATOM 1465 O LYS A 98 -15.611 -10.722 5.557 1.00 0.00 O ATOM 1466 CB LYS A 98 -15.681 -9.982 8.829 1.00 0.00 C ATOM 1467 CG LYS A 98 -15.586 -10.422 10.293 1.00 0.00 C ATOM 1468 CD LYS A 98 -16.946 -10.904 10.810 1.00 0.00 C ATOM 1469 CE LYS A 98 -16.847 -11.313 12.276 1.00 0.00 C ATOM 1470 NZ LYS A 98 -16.590 -10.160 13.158 1.00 0.00 N ATOM 0 H LYS A 98 -13.983 -11.612 8.031 1.00 0.00 H new ATOM 0 HA LYS A 98 -16.870 -11.683 8.294 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -14.737 -9.530 8.526 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -16.448 -9.213 8.732 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -14.852 -11.222 10.389 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -15.234 -9.591 10.904 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -17.686 -10.112 10.697 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -17.290 -11.749 10.213 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -17.773 -11.801 12.579 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -16.048 -12.045 12.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -16.731 -10.443 14.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -15.611 -9.834 13.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -17.246 -9.389 12.921 1.00 0.00 H new ATOM 1484 N ARG A 99 -17.626 -10.144 6.392 1.00 0.00 N ATOM 1485 CA ARG A 99 -18.195 -9.643 5.148 1.00 0.00 C ATOM 1486 C ARG A 99 -17.567 -8.306 4.758 1.00 0.00 C ATOM 1487 O ARG A 99 -16.875 -7.677 5.557 1.00 0.00 O ATOM 1488 CB ARG A 99 -19.715 -9.515 5.322 1.00 0.00 C ATOM 1489 CG ARG A 99 -20.446 -10.806 4.930 1.00 0.00 C ATOM 1490 CD ARG A 99 -19.959 -12.003 5.746 1.00 0.00 C ATOM 1491 NE ARG A 99 -20.717 -13.213 5.416 1.00 0.00 N ATOM 1492 CZ ARG A 99 -20.306 -14.454 5.693 1.00 0.00 C ATOM 1493 NH1 ARG A 99 -19.148 -14.672 6.307 1.00 0.00 N ATOM 1494 NH2 ARG A 99 -21.062 -15.493 5.352 1.00 0.00 N ATOM 0 H ARG A 99 -18.264 -10.070 7.184 1.00 0.00 H new ATOM 0 HA ARG A 99 -17.981 -10.341 4.339 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -19.942 -9.270 6.359 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -20.082 -8.690 4.711 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -21.518 -10.676 5.079 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -20.293 -11.003 3.869 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -18.899 -12.171 5.554 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -20.059 -11.787 6.810 1.00 0.00 H new ATOM 0 HE ARG A 99 -21.615 -13.101 4.945 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -18.557 -13.885 6.575 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -18.850 -15.626 6.510 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -21.954 -15.342 4.880 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -20.750 -16.441 5.562 1.00 0.00 H new ATOM 1508 N SER A 100 -17.819 -7.880 3.520 1.00 0.00 N ATOM 1509 CA SER A 100 -17.340 -6.606 3.003 1.00 0.00 C ATOM 1510 C SER A 100 -18.308 -5.503 3.412 1.00 0.00 C ATOM 1511 O SER A 100 -19.483 -5.776 3.647 1.00 0.00 O ATOM 1512 CB SER A 100 -17.216 -6.682 1.485 1.00 0.00 C ATOM 1513 OG SER A 100 -16.389 -7.770 1.129 1.00 0.00 O ATOM 0 H SER A 100 -18.366 -8.416 2.846 1.00 0.00 H new ATOM 0 HA SER A 100 -16.357 -6.382 3.417 1.00 0.00 H new ATOM 0 HB2 SER A 100 -18.202 -6.800 1.035 1.00 0.00 H new ATOM 0 HB3 SER A 100 -16.798 -5.753 1.098 1.00 0.00 H new ATOM 0 HG SER A 100 -16.313 -7.817 0.153 1.00 0.00 H new ATOM 1519 N ALA A 101 -17.832 -4.258 3.497 1.00 0.00 N ATOM 1520 CA ALA A 101 -18.633 -3.138 3.975 1.00 0.00 C ATOM 1521 C ALA A 101 -19.872 -2.879 3.110 1.00 0.00 C ATOM 1522 O ALA A 101 -20.781 -2.176 3.546 1.00 0.00 O ATOM 1523 CB ALA A 101 -17.743 -1.897 4.024 1.00 0.00 C ATOM 0 H ALA A 101 -16.880 -4.002 3.235 1.00 0.00 H new ATOM 0 HA ALA A 101 -19.007 -3.384 4.969 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -18.324 -1.046 4.380 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -16.908 -2.075 4.702 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -17.361 -1.684 3.026 1.00 0.00 H new ATOM 1529 N ALA A 102 -19.912 -3.437 1.897 1.00 0.00 N ATOM 1530 CA ALA A 102 -21.046 -3.297 0.998 1.00 0.00 C ATOM 1531 C ALA A 102 -21.950 -4.530 1.028 1.00 0.00 C ATOM 1532 O ALA A 102 -23.021 -4.527 0.421 1.00 0.00 O ATOM 1533 CB ALA A 102 -20.517 -3.074 -0.412 1.00 0.00 C ATOM 0 H ALA A 102 -19.152 -4.000 1.515 1.00 0.00 H new ATOM 0 HA ALA A 102 -21.648 -2.448 1.322 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -21.354 -2.967 -1.102 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -19.910 -2.169 -0.434 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -19.908 -3.927 -0.711 1.00 0.00 H new ATOM 1539 N GLU A 103 -21.525 -5.583 1.728 1.00 0.00 N ATOM 1540 CA GLU A 103 -22.236 -6.849 1.794 1.00 0.00 C ATOM 1541 C GLU A 103 -22.497 -7.265 3.241 1.00 0.00 C ATOM 1542 O GLU A 103 -22.837 -8.421 3.495 1.00 0.00 O ATOM 1543 CB GLU A 103 -21.449 -7.930 1.048 1.00 0.00 C ATOM 1544 CG GLU A 103 -21.288 -7.567 -0.428 1.00 0.00 C ATOM 1545 CD GLU A 103 -20.569 -8.682 -1.184 1.00 0.00 C ATOM 1546 OE1 GLU A 103 -21.272 -9.590 -1.681 1.00 0.00 O ATOM 1547 OE2 GLU A 103 -19.322 -8.621 -1.262 1.00 0.00 O ATOM 0 H GLU A 103 -20.662 -5.574 2.272 1.00 0.00 H new ATOM 0 HA GLU A 103 -23.205 -6.724 1.311 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -20.467 -8.052 1.506 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -21.963 -8.887 1.137 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -22.267 -7.392 -0.873 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -20.726 -6.638 -0.520 1.00 0.00 H new ATOM 1554 N MET A 104 -22.342 -6.338 4.195 1.00 0.00 N ATOM 1555 CA MET A 104 -22.565 -6.651 5.601 1.00 0.00 C ATOM 1556 C MET A 104 -24.021 -7.043 5.853 1.00 0.00 C ATOM 1557 O MET A 104 -24.302 -7.791 6.788 1.00 0.00 O ATOM 1558 CB MET A 104 -22.206 -5.446 6.480 1.00 0.00 C ATOM 1559 CG MET A 104 -20.723 -5.085 6.440 1.00 0.00 C ATOM 1560 SD MET A 104 -19.560 -6.436 6.763 1.00 0.00 S ATOM 1561 CE MET A 104 -20.299 -7.180 8.239 1.00 0.00 C ATOM 0 H MET A 104 -22.065 -5.373 4.015 1.00 0.00 H new ATOM 0 HA MET A 104 -21.924 -7.494 5.858 1.00 0.00 H new ATOM 0 HB2 MET A 104 -22.791 -4.584 6.158 1.00 0.00 H new ATOM 0 HB3 MET A 104 -22.493 -5.659 7.510 1.00 0.00 H new ATOM 0 HG2 MET A 104 -20.499 -4.668 5.458 1.00 0.00 H new ATOM 0 HG3 MET A 104 -20.543 -4.296 7.170 1.00 0.00 H new ATOM 0 HE1 MET A 104 -19.526 -7.684 8.819 1.00 0.00 H new ATOM 0 HE2 MET A 104 -20.759 -6.401 8.848 1.00 0.00 H new ATOM 0 HE3 MET A 104 -21.058 -7.903 7.941 1.00 0.00 H new ATOM 1571 N TYR A 105 -24.942 -6.545 5.022 1.00 0.00 N ATOM 1572 CA TYR A 105 -26.363 -6.849 5.133 1.00 0.00 C ATOM 1573 C TYR A 105 -27.022 -7.003 3.761 1.00 0.00 C ATOM 1574 O TYR A 105 -28.168 -7.443 3.680 1.00 0.00 O ATOM 1575 CB TYR A 105 -27.054 -5.727 5.911 1.00 0.00 C ATOM 1576 CG TYR A 105 -26.523 -5.539 7.315 1.00 0.00 C ATOM 1577 CD1 TYR A 105 -25.444 -4.677 7.542 1.00 0.00 C ATOM 1578 CD2 TYR A 105 -27.113 -6.234 8.383 1.00 0.00 C ATOM 1579 CE1 TYR A 105 -24.940 -4.507 8.840 1.00 0.00 C ATOM 1580 CE2 TYR A 105 -26.617 -6.069 9.684 1.00 0.00 C ATOM 1581 CZ TYR A 105 -25.526 -5.206 9.916 1.00 0.00 C ATOM 1582 OH TYR A 105 -25.037 -5.039 11.177 1.00 0.00 O ATOM 0 H TYR A 105 -24.716 -5.917 4.251 1.00 0.00 H new ATOM 0 HA TYR A 105 -26.468 -7.799 5.658 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -26.939 -4.793 5.361 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -28.122 -5.938 5.962 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -24.999 -4.142 6.716 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -27.948 -6.895 8.202 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -24.106 -3.843 9.015 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -27.070 -6.602 10.507 1.00 0.00 H new ATOM 0 HH TYR A 105 -25.552 -5.590 11.803 1.00 0.00 H new ATOM 1592 N GLY A 106 -26.311 -6.647 2.688 1.00 0.00 N ATOM 1593 CA GLY A 106 -26.831 -6.732 1.332 1.00 0.00 C ATOM 1594 C GLY A 106 -27.942 -5.713 1.100 1.00 0.00 C ATOM 1595 O GLY A 106 -28.285 -4.955 2.004 1.00 0.00 O ATOM 1596 OXT GLY A 106 -28.509 -5.629 0.024 1.00 0.00 O ATOM 0 H GLY A 106 -25.356 -6.291 2.741 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -26.024 -6.562 0.619 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -27.212 -7.737 1.149 1.00 0.00 H new TER 1600 GLY A 106 ATOM 1601 O5' A B 1 3.103 -13.975 9.093 1.00 0.00 O ATOM 1602 C5' A B 1 2.677 -12.731 8.580 1.00 0.00 C ATOM 1603 C4' A B 1 3.165 -11.601 9.489 1.00 0.00 C ATOM 1604 O4' A B 1 4.574 -11.465 9.383 1.00 0.00 O ATOM 1605 C3' A B 1 2.603 -10.262 9.019 1.00 0.00 C ATOM 1606 O3' A B 1 2.730 -9.277 10.028 1.00 0.00 O ATOM 1607 C2' A B 1 3.542 -9.967 7.857 1.00 0.00 C ATOM 1608 O2' A B 1 3.631 -8.579 7.607 1.00 0.00 O ATOM 1609 C1' A B 1 4.867 -10.543 8.345 1.00 0.00 C ATOM 1610 N9 A B 1 5.620 -11.141 7.216 1.00 0.00 N ATOM 1611 C8 A B 1 6.020 -10.522 6.059 1.00 0.00 C ATOM 1612 N7 A B 1 6.672 -11.295 5.233 1.00 0.00 N ATOM 1613 C5 A B 1 6.709 -12.521 5.898 1.00 0.00 C ATOM 1614 C6 A B 1 7.261 -13.771 5.562 1.00 0.00 C ATOM 1615 N6 A B 1 7.911 -14.016 4.423 1.00 0.00 N ATOM 1616 N1 A B 1 7.136 -14.779 6.436 1.00 0.00 N ATOM 1617 C2 A B 1 6.495 -14.561 7.578 1.00 0.00 C ATOM 1618 N3 A B 1 5.932 -13.441 8.012 1.00 0.00 N ATOM 1619 C4 A B 1 6.077 -12.440 7.108 1.00 0.00 C ATOM 0 H5' A B 1 1.589 -12.709 8.510 1.00 0.00 H new ATOM 0 H5'' A B 1 3.065 -12.591 7.571 1.00 0.00 H new ATOM 0 H4' A B 1 2.848 -11.845 10.503 1.00 0.00 H new ATOM 0 H3' A B 1 1.543 -10.274 8.765 1.00 0.00 H new ATOM 0 H2' A B 1 3.213 -10.396 6.911 1.00 0.00 H new ATOM 0 HO2' A B 1 3.081 -8.094 8.257 1.00 0.00 H new ATOM 0 HO5' A B 1 4.056 -14.099 8.901 1.00 0.00 H new ATOM 0 H1' A B 1 5.519 -9.767 8.747 1.00 0.00 H new ATOM 0 H8 A B 1 5.813 -9.483 5.849 1.00 0.00 H new ATOM 0 H61 A B 1 8.288 -14.946 4.241 1.00 0.00 H new ATOM 0 H62 A B 1 8.031 -13.273 3.735 1.00 0.00 H new ATOM 0 H2 A B 1 6.422 -15.409 8.243 1.00 0.00 H new ATOM 1631 P U B 2 1.659 -9.171 11.224 1.00 0.00 P ATOM 1632 OP1 U B 2 2.150 -8.173 12.203 1.00 0.00 O ATOM 1633 OP2 U B 2 1.322 -10.537 11.683 1.00 0.00 O ATOM 1634 O5' U B 2 0.366 -8.560 10.485 1.00 0.00 O ATOM 1635 C5' U B 2 0.241 -7.173 10.247 1.00 0.00 C ATOM 1636 C4' U B 2 -1.102 -6.856 9.589 1.00 0.00 C ATOM 1637 O4' U B 2 -1.045 -7.173 8.203 1.00 0.00 O ATOM 1638 C3' U B 2 -2.231 -7.694 10.196 1.00 0.00 C ATOM 1639 O3' U B 2 -3.462 -6.998 10.136 1.00 0.00 O ATOM 1640 C2' U B 2 -2.293 -8.854 9.218 1.00 0.00 C ATOM 1641 O2' U B 2 -3.533 -9.535 9.273 1.00 0.00 O ATOM 1642 C1' U B 2 -2.080 -8.098 7.918 1.00 0.00 C ATOM 1643 N1 U B 2 -1.715 -9.033 6.842 1.00 0.00 N ATOM 1644 C2 U B 2 -2.641 -9.261 5.832 1.00 0.00 C ATOM 1645 O2 U B 2 -3.717 -8.669 5.774 1.00 0.00 O ATOM 1646 N3 U B 2 -2.283 -10.204 4.882 1.00 0.00 N ATOM 1647 C4 U B 2 -1.102 -10.929 4.861 1.00 0.00 C ATOM 1648 O4 U B 2 -0.897 -11.761 3.981 1.00 0.00 O ATOM 1649 C5 U B 2 -0.193 -10.608 5.939 1.00 0.00 C ATOM 1650 C6 U B 2 -0.509 -9.675 6.864 1.00 0.00 C ATOM 0 H5' U B 2 1.055 -6.834 9.606 1.00 0.00 H new ATOM 0 H5'' U B 2 0.328 -6.628 11.187 1.00 0.00 H new ATOM 0 H4' U B 2 -1.299 -5.796 9.749 1.00 0.00 H new ATOM 0 H3' U B 2 -2.064 -7.959 11.240 1.00 0.00 H new ATOM 0 H2' U B 2 -1.578 -9.657 9.396 1.00 0.00 H new ATOM 0 HO2' U B 2 -4.210 -8.950 9.672 1.00 0.00 H new ATOM 0 H1' U B 2 -2.976 -7.584 7.570 1.00 0.00 H new ATOM 0 H3 U B 2 -2.949 -10.381 4.130 1.00 0.00 H new ATOM 0 H5 U B 2 0.754 -11.123 6.006 1.00 0.00 H new ATOM 0 H6 U B 2 0.206 -9.432 7.636 1.00 0.00 H new ATOM 1661 P U B 3 -3.832 -5.846 11.190 1.00 0.00 P ATOM 1662 OP1 U B 3 -2.575 -5.289 11.742 1.00 0.00 O ATOM 1663 OP2 U B 3 -4.866 -6.369 12.110 1.00 0.00 O ATOM 1664 O5' U B 3 -4.506 -4.728 10.252 1.00 0.00 O ATOM 1665 C5' U B 3 -5.656 -5.027 9.487 1.00 0.00 C ATOM 1666 C4' U B 3 -6.371 -3.719 9.139 1.00 0.00 C ATOM 1667 O4' U B 3 -7.378 -3.949 8.157 1.00 0.00 O ATOM 1668 C3' U B 3 -7.042 -3.187 10.406 1.00 0.00 C ATOM 1669 O3' U B 3 -7.013 -1.774 10.431 1.00 0.00 O ATOM 1670 C2' U B 3 -8.449 -3.736 10.221 1.00 0.00 C ATOM 1671 O2' U B 3 -9.438 -3.016 10.924 1.00 0.00 O ATOM 1672 C1' U B 3 -8.636 -3.613 8.720 1.00 0.00 C ATOM 1673 N1 U B 3 -9.723 -4.520 8.283 1.00 0.00 N ATOM 1674 C2 U B 3 -10.844 -3.971 7.677 1.00 0.00 C ATOM 1675 O2 U B 3 -10.955 -2.772 7.452 1.00 0.00 O ATOM 1676 N3 U B 3 -11.853 -4.856 7.333 1.00 0.00 N ATOM 1677 C4 U B 3 -11.839 -6.223 7.549 1.00 0.00 C ATOM 1678 O4 U B 3 -12.797 -6.919 7.217 1.00 0.00 O ATOM 1679 C5 U B 3 -10.630 -6.711 8.177 1.00 0.00 C ATOM 1680 C6 U B 3 -9.627 -5.864 8.511 1.00 0.00 C ATOM 0 H5' U B 3 -6.322 -5.683 10.047 1.00 0.00 H new ATOM 0 H5'' U B 3 -5.376 -5.558 8.577 1.00 0.00 H new ATOM 0 H4' U B 3 -5.646 -3.005 8.747 1.00 0.00 H new ATOM 0 H3' U B 3 -6.573 -3.480 11.345 1.00 0.00 H new ATOM 0 H2' U B 3 -8.556 -4.747 10.613 1.00 0.00 H new ATOM 0 HO2' U B 3 -9.071 -2.705 11.778 1.00 0.00 H new ATOM 0 H1' U B 3 -8.933 -2.614 8.401 1.00 0.00 H new ATOM 0 H3 U B 3 -12.679 -4.465 6.880 1.00 0.00 H new ATOM 0 H5 U B 3 -10.526 -7.766 8.382 1.00 0.00 H new ATOM 0 H6 U B 3 -8.732 -6.260 8.968 1.00 0.00 H new ATOM 1691 P U B 4 -7.064 -0.990 11.839 1.00 0.00 P ATOM 1692 OP1 U B 4 -5.744 -1.136 12.497 1.00 0.00 O ATOM 1693 OP2 U B 4 -8.285 -1.409 12.562 1.00 0.00 O ATOM 1694 O5' U B 4 -7.254 0.552 11.417 1.00 0.00 O ATOM 1695 C5' U B 4 -6.205 1.264 10.792 1.00 0.00 C ATOM 1696 C4' U B 4 -6.530 2.755 10.729 1.00 0.00 C ATOM 1697 O4' U B 4 -7.624 2.988 9.855 1.00 0.00 O ATOM 1698 C3' U B 4 -6.897 3.312 12.110 1.00 0.00 C ATOM 1699 O3' U B 4 -6.158 4.484 12.409 1.00 0.00 O ATOM 1700 C2' U B 4 -8.370 3.670 11.942 1.00 0.00 C ATOM 1701 O2' U B 4 -8.769 4.771 12.735 1.00 0.00 O ATOM 1702 C1' U B 4 -8.439 3.975 10.455 1.00 0.00 C ATOM 1703 N1 U B 4 -9.831 3.939 9.962 1.00 0.00 N ATOM 1704 C2 U B 4 -10.388 5.130 9.515 1.00 0.00 C ATOM 1705 O2 U B 4 -9.770 6.194 9.517 1.00 0.00 O ATOM 1706 N3 U B 4 -11.691 5.066 9.057 1.00 0.00 N ATOM 1707 C4 U B 4 -12.471 3.930 8.995 1.00 0.00 C ATOM 1708 O4 U B 4 -13.607 3.981 8.533 1.00 0.00 O ATOM 1709 C5 U B 4 -11.828 2.743 9.509 1.00 0.00 C ATOM 1710 C6 U B 4 -10.554 2.778 9.966 1.00 0.00 C ATOM 0 H5' U B 4 -6.046 0.878 9.785 1.00 0.00 H new ATOM 0 H5'' U B 4 -5.276 1.112 11.342 1.00 0.00 H new ATOM 0 H4' U B 4 -5.635 3.259 10.363 1.00 0.00 H new ATOM 0 H3' U B 4 -6.690 2.608 12.916 1.00 0.00 H new ATOM 0 H2' U B 4 -9.047 2.880 12.268 1.00 0.00 H new ATOM 0 HO2' U B 4 -7.975 5.249 13.055 1.00 0.00 H new ATOM 0 H1' U B 4 -8.090 4.980 10.215 1.00 0.00 H new ATOM 0 H3 U B 4 -12.113 5.937 8.736 1.00 0.00 H new ATOM 0 H5 U B 4 -12.373 1.811 9.529 1.00 0.00 H new ATOM 0 H6 U B 4 -10.100 1.872 10.341 1.00 0.00 H new ATOM 1721 P U B 5 -4.700 4.416 13.086 1.00 0.00 P ATOM 1722 OP1 U B 5 -4.368 2.999 13.362 1.00 0.00 O ATOM 1723 OP2 U B 5 -4.674 5.401 14.193 1.00 0.00 O ATOM 1724 O5' U B 5 -3.716 4.950 11.928 1.00 0.00 O ATOM 1725 C5' U B 5 -3.010 4.063 11.088 1.00 0.00 C ATOM 1726 C4' U B 5 -2.219 4.825 10.021 1.00 0.00 C ATOM 1727 O4' U B 5 -3.096 5.297 9.008 1.00 0.00 O ATOM 1728 C3' U B 5 -1.497 6.029 10.617 1.00 0.00 C ATOM 1729 O3' U B 5 -0.289 6.219 9.906 1.00 0.00 O ATOM 1730 C2' U B 5 -2.492 7.153 10.359 1.00 0.00 C ATOM 1731 O2' U B 5 -1.873 8.417 10.244 1.00 0.00 O ATOM 1732 C1' U B 5 -3.123 6.712 9.042 1.00 0.00 C ATOM 1733 N1 U B 5 -4.508 7.208 8.914 1.00 0.00 N ATOM 1734 C2 U B 5 -4.809 8.002 7.820 1.00 0.00 C ATOM 1735 O2 U B 5 -3.975 8.306 6.971 1.00 0.00 O ATOM 1736 N3 U B 5 -6.114 8.447 7.726 1.00 0.00 N ATOM 1737 C4 U B 5 -7.131 8.177 8.625 1.00 0.00 C ATOM 1738 O4 U B 5 -8.259 8.626 8.437 1.00 0.00 O ATOM 1739 C5 U B 5 -6.725 7.355 9.744 1.00 0.00 C ATOM 1740 C6 U B 5 -5.455 6.903 9.852 1.00 0.00 C ATOM 0 H5' U B 5 -3.709 3.379 10.607 1.00 0.00 H new ATOM 0 H5'' U B 5 -2.330 3.456 11.685 1.00 0.00 H new ATOM 0 H4' U B 5 -1.486 4.133 9.606 1.00 0.00 H new ATOM 0 H3' U B 5 -1.227 5.947 11.670 1.00 0.00 H new ATOM 0 H2' U B 5 -3.204 7.291 11.173 1.00 0.00 H new ATOM 0 HO2' U B 5 -1.097 8.457 10.841 1.00 0.00 H new ATOM 0 H1' U B 5 -2.562 7.128 8.206 1.00 0.00 H new ATOM 0 H3 U B 5 -6.349 9.027 6.921 1.00 0.00 H new ATOM 0 H5 U B 5 -7.447 7.098 10.505 1.00 0.00 H new ATOM 0 H6 U B 5 -5.183 6.288 10.697 1.00 0.00 H new ATOM 1751 P U B 6 1.003 6.880 10.601 1.00 0.00 P ATOM 1752 OP1 U B 6 1.525 5.931 11.611 1.00 0.00 O ATOM 1753 OP2 U B 6 0.669 8.265 11.001 1.00 0.00 O ATOM 1754 O5' U B 6 2.034 6.938 9.369 1.00 0.00 O ATOM 1755 C5' U B 6 2.504 5.741 8.782 1.00 0.00 C ATOM 1756 C4' U B 6 3.306 5.992 7.499 1.00 0.00 C ATOM 1757 O4' U B 6 2.528 6.675 6.524 1.00 0.00 O ATOM 1758 C3' U B 6 4.541 6.844 7.760 1.00 0.00 C ATOM 1759 O3' U B 6 5.514 6.511 6.782 1.00 0.00 O ATOM 1760 C2' U B 6 3.997 8.249 7.543 1.00 0.00 C ATOM 1761 O2' U B 6 5.011 9.154 7.150 1.00 0.00 O ATOM 1762 C1' U B 6 2.942 8.035 6.458 1.00 0.00 C ATOM 1763 N1 U B 6 1.821 8.973 6.658 1.00 0.00 N ATOM 1764 C2 U B 6 2.028 10.293 6.286 1.00 0.00 C ATOM 1765 O2 U B 6 3.107 10.705 5.863 1.00 0.00 O ATOM 1766 N3 U B 6 0.945 11.141 6.416 1.00 0.00 N ATOM 1767 C4 U B 6 -0.313 10.782 6.863 1.00 0.00 C ATOM 1768 O4 U B 6 -1.223 11.603 6.874 1.00 0.00 O ATOM 1769 C5 U B 6 -0.423 9.409 7.288 1.00 0.00 C ATOM 1770 C6 U B 6 0.626 8.566 7.185 1.00 0.00 C ATOM 0 H5' U B 6 1.657 5.094 8.556 1.00 0.00 H new ATOM 0 H5'' U B 6 3.129 5.209 9.499 1.00 0.00 H new ATOM 0 H4' U B 6 3.597 5.006 7.136 1.00 0.00 H new ATOM 0 H3' U B 6 5.011 6.719 8.736 1.00 0.00 H new ATOM 0 H2' U B 6 3.587 8.701 8.446 1.00 0.00 H new ATOM 0 HO2' U B 6 4.617 9.874 6.614 1.00 0.00 H new ATOM 0 H1' U B 6 3.344 8.235 5.465 1.00 0.00 H new ATOM 0 H3 U B 6 1.086 12.118 6.160 1.00 0.00 H new ATOM 0 H5 U B 6 -1.357 9.050 7.694 1.00 0.00 H new ATOM 0 H6 U B 6 0.520 7.547 7.526 1.00 0.00 H new ATOM 1781 P C B 7 7.058 6.296 7.181 1.00 0.00 P ATOM 1782 OP1 C B 7 7.396 7.200 8.303 1.00 0.00 O ATOM 1783 OP2 C B 7 7.859 6.354 5.937 1.00 0.00 O ATOM 1784 O5' C B 7 7.104 4.778 7.717 1.00 0.00 O ATOM 1785 C5' C B 7 6.661 4.452 9.020 1.00 0.00 C ATOM 1786 C4' C B 7 6.906 2.970 9.315 1.00 0.00 C ATOM 1787 O4' C B 7 5.973 2.166 8.605 1.00 0.00 O ATOM 1788 C3' C B 7 8.309 2.523 8.888 1.00 0.00 C ATOM 1789 O3' C B 7 8.849 1.676 9.885 1.00 0.00 O ATOM 1790 C2' C B 7 8.020 1.732 7.614 1.00 0.00 C ATOM 1791 O2' C B 7 9.021 0.772 7.328 1.00 0.00 O ATOM 1792 C1' C B 7 6.683 1.103 7.994 1.00 0.00 C ATOM 1793 N1 C B 7 5.927 0.515 6.858 1.00 0.00 N ATOM 1794 C2 C B 7 4.695 -0.060 7.141 1.00 0.00 C ATOM 1795 O2 C B 7 4.261 -0.078 8.293 1.00 0.00 O ATOM 1796 N3 C B 7 3.973 -0.606 6.127 1.00 0.00 N ATOM 1797 C4 C B 7 4.440 -0.596 4.880 1.00 0.00 C ATOM 1798 N4 C B 7 3.689 -1.139 3.924 1.00 0.00 N ATOM 1799 C5 C B 7 5.707 -0.026 4.560 1.00 0.00 C ATOM 1800 C6 C B 7 6.416 0.516 5.575 1.00 0.00 C ATOM 0 H5' C B 7 5.599 4.677 9.116 1.00 0.00 H new ATOM 0 H5'' C B 7 7.185 5.066 9.753 1.00 0.00 H new ATOM 0 H4' C B 7 6.796 2.847 10.392 1.00 0.00 H new ATOM 0 H3' C B 7 9.021 3.335 8.742 1.00 0.00 H new ATOM 0 H2' C B 7 8.000 2.325 6.700 1.00 0.00 H new ATOM 0 HO2' C B 7 8.711 0.179 6.612 1.00 0.00 H new ATOM 0 HO3' C B 7 9.267 0.897 9.461 1.00 0.00 H new ATOM 0 H1' C B 7 6.833 0.243 8.647 1.00 0.00 H new ATOM 0 H41 C B 7 4.019 -1.147 2.959 1.00 0.00 H new ATOM 0 H42 C B 7 2.784 -1.547 4.157 1.00 0.00 H new ATOM 0 H5 C B 7 6.085 -0.027 3.548 1.00 0.00 H new ATOM 0 H6 C B 7 7.381 0.956 5.374 1.00 0.00 H new TER 1812 C B 7