USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 931 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 22 TYR OH : rot -123:sc= 0.988 USER MOD Set 1.2: A 102 HIS : no HE2:sc= -1.05 X(o=0.81,f=0.95) USER MOD Set 1.3: A 105 SER OG : rot -70:sc= 0.866 USER MOD Set 2.1: A 89 HIS : no HD1:sc= 0.921 K(o=2.2,f=-5.5!) USER MOD Set 2.2: A 119 THR OG1 : rot 82:sc= 1.29 USER MOD Set 3.1: A 81 HIS : no HE2:sc= 0.999 K(o=3.5,f=-4.9!) USER MOD Set 3.2: A 86 LYS NZ :NH3+ -164:sc= 2.53 (180deg=1.07) USER MOD Set 4.1: A 80 SER OG : rot -3:sc= 0.486 USER MOD Set 4.2: A 91 TYR OH : rot -11:sc= 1.15 USER MOD Set 5.1: A 64 MET CE :methyl -168:sc= -0.359 (180deg=-0.544) USER MOD Set 5.2: A 67 GLN : amide:sc= 1.04 K(o=0.68,f=-0.52) USER MOD Set 6.1: A 28 HIS : no HD1:sc= 1.04 K(o=2.2,f=-5.4!) USER MOD Set 6.2: A 40 SER OG : rot -114:sc= 1.19 USER MOD Single : A 1 MET CE :methyl 178:sc= 0 (180deg=-0.00497) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0.0494 USER MOD Single : A 21 LYS NZ :NH3+ -169:sc= 1.16 (180deg=1.06) USER MOD Single : A 29 SER OG : rot -160:sc=-0.00171 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -160:sc= 2.01 (180deg=0.812) USER MOD Single : A 47 TYR OH : rot -17:sc= 1.33 USER MOD Single : A 48 LYS NZ :NH3+ 158:sc= 1.14 (180deg=0.741) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HE2:sc= -2.79! C(o=-2.8!,f=-5.4!) USER MOD Single : A 57 TYR OH : rot -1:sc= 0.133 USER MOD Single : A 59 LYS NZ :NH3+ -151:sc= 0.131 (180deg=0.00326) USER MOD Single : A 61 SER OG : rot 85:sc= 1.15 USER MOD Single : A 65 GLN : amide:sc= 0.525 K(o=0.52,f=0) USER MOD Single : A 66 LYS NZ :NH3+ -170:sc= 1.19 (180deg=0.882) USER MOD Single : A 69 CYS SG : rot 180:sc= -0.355 USER MOD Single : A 71 CYS SG : rot 100:sc= -1.66 USER MOD Single : A 73 CYS SG : rot 127:sc= 0.862 USER MOD Single : A 82 GLN : amide:sc= 0.425 K(o=0.42,f=-10!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ -158:sc= 1.81 (180deg=1.34) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot -67:sc= 1.56 USER MOD Single : A 95 MET CE :methyl 175:sc= 0 (180deg=-0.0206) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 THR OG1 : rot 29:sc= 0.563 USER MOD Single : A 108 LYS NZ :NH3+ 167:sc= 0.65 (180deg=0.248) USER MOD Single : A 110 LYS NZ :NH3+ 135:sc= 1.27 (180deg=0.531) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 ASN : amide:sc= -0.326 K(o=-0.33,f=-0.87) USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.408 9.236 18.648 1.00 0.00 N ATOM 2 CA MET A 1 10.739 9.786 18.297 1.00 0.00 C ATOM 3 C MET A 1 10.643 10.659 17.036 1.00 0.00 C ATOM 4 O MET A 1 10.613 11.886 17.150 1.00 0.00 O ATOM 5 CB MET A 1 11.820 8.684 18.199 1.00 0.00 C ATOM 6 CG MET A 1 13.228 9.267 17.994 1.00 0.00 C ATOM 7 SD MET A 1 14.572 8.045 17.919 1.00 0.00 S ATOM 8 CE MET A 1 14.260 7.298 16.293 1.00 0.00 C ATOM 0 H1 MET A 1 9.489 8.648 19.502 1.00 0.00 H new ATOM 0 H2 MET A 1 8.746 10.018 18.827 1.00 0.00 H new ATOM 0 H3 MET A 1 9.054 8.656 17.861 1.00 0.00 H new ATOM 0 HA MET A 1 11.068 10.433 19.110 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.807 8.083 19.108 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.581 8.016 17.371 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.233 9.845 17.070 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.437 9.963 18.806 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.025 6.550 16.083 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.279 6.823 16.293 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.289 8.072 15.526 1.00 0.00 H new ATOM 20 N ALA A 2 10.607 10.056 15.838 1.00 0.00 N ATOM 21 CA ALA A 2 10.530 10.745 14.553 1.00 0.00 C ATOM 22 C ALA A 2 9.805 9.842 13.548 1.00 0.00 C ATOM 23 O ALA A 2 9.643 8.642 13.789 1.00 0.00 O ATOM 24 CB ALA A 2 11.948 11.066 14.058 1.00 0.00 C ATOM 0 H ALA A 2 10.632 9.041 15.740 1.00 0.00 H new ATOM 0 HA ALA A 2 9.978 11.679 14.660 1.00 0.00 H new ATOM 0 HB1 ALA A 2 11.891 11.580 13.099 1.00 0.00 H new ATOM 0 HB2 ALA A 2 12.450 11.706 14.783 1.00 0.00 H new ATOM 0 HB3 ALA A 2 12.511 10.140 13.940 1.00 0.00 H new ATOM 30 N VAL A 3 9.401 10.410 12.413 1.00 0.00 N ATOM 31 CA VAL A 3 8.746 9.709 11.313 1.00 0.00 C ATOM 32 C VAL A 3 9.106 10.443 10.010 1.00 0.00 C ATOM 33 O VAL A 3 9.630 11.561 10.044 1.00 0.00 O ATOM 34 CB VAL A 3 7.226 9.603 11.607 1.00 0.00 C ATOM 35 CG1 VAL A 3 6.505 10.960 11.614 1.00 0.00 C ATOM 36 CG2 VAL A 3 6.495 8.634 10.665 1.00 0.00 C ATOM 0 H VAL A 3 9.526 11.405 12.229 1.00 0.00 H new ATOM 0 HA VAL A 3 9.089 8.680 11.202 1.00 0.00 H new ATOM 0 HB VAL A 3 7.182 9.197 12.618 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.447 10.809 11.826 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.941 11.600 12.381 1.00 0.00 H new ATOM 0 HG13 VAL A 3 6.615 11.436 10.640 1.00 0.00 H new ATOM 0 HG21 VAL A 3 5.436 8.605 10.923 1.00 0.00 H new ATOM 0 HG22 VAL A 3 6.609 8.973 9.635 1.00 0.00 H new ATOM 0 HG23 VAL A 3 6.921 7.636 10.768 1.00 0.00 H new ATOM 46 N ALA A 4 8.831 9.817 8.866 1.00 0.00 N ATOM 47 CA ALA A 4 9.008 10.370 7.530 1.00 0.00 C ATOM 48 C ALA A 4 7.872 9.834 6.650 1.00 0.00 C ATOM 49 O ALA A 4 7.086 8.990 7.090 1.00 0.00 O ATOM 50 CB ALA A 4 10.403 9.984 7.005 1.00 0.00 C ATOM 0 H ALA A 4 8.462 8.866 8.848 1.00 0.00 H new ATOM 0 HA ALA A 4 8.959 11.459 7.527 1.00 0.00 H new ATOM 0 HB1 ALA A 4 10.542 10.395 6.005 1.00 0.00 H new ATOM 0 HB2 ALA A 4 11.166 10.385 7.672 1.00 0.00 H new ATOM 0 HB3 ALA A 4 10.490 8.898 6.966 1.00 0.00 H new ATOM 56 N ASP A 5 7.779 10.306 5.408 1.00 0.00 N ATOM 57 CA ASP A 5 6.748 9.911 4.451 1.00 0.00 C ATOM 58 C ASP A 5 7.293 10.096 3.033 1.00 0.00 C ATOM 59 O ASP A 5 8.244 10.856 2.834 1.00 0.00 O ATOM 60 CB ASP A 5 5.489 10.769 4.654 1.00 0.00 C ATOM 61 CG ASP A 5 4.452 10.472 3.564 1.00 0.00 C ATOM 62 OD1 ASP A 5 3.986 9.316 3.486 1.00 0.00 O ATOM 63 OD2 ASP A 5 4.191 11.365 2.730 1.00 0.00 O ATOM 0 H ASP A 5 8.435 10.990 5.031 1.00 0.00 H new ATOM 0 HA ASP A 5 6.481 8.865 4.605 1.00 0.00 H new ATOM 0 HB2 ASP A 5 5.060 10.569 5.636 1.00 0.00 H new ATOM 0 HB3 ASP A 5 5.755 11.826 4.632 1.00 0.00 H new ATOM 68 N LEU A 6 6.678 9.432 2.047 1.00 0.00 N ATOM 69 CA LEU A 6 7.019 9.524 0.631 1.00 0.00 C ATOM 70 C LEU A 6 7.134 10.971 0.143 1.00 0.00 C ATOM 71 O LEU A 6 7.970 11.252 -0.713 1.00 0.00 O ATOM 72 CB LEU A 6 5.954 8.809 -0.219 1.00 0.00 C ATOM 73 CG LEU A 6 5.872 7.276 -0.106 1.00 0.00 C ATOM 74 CD1 LEU A 6 4.785 6.764 -1.060 1.00 0.00 C ATOM 75 CD2 LEU A 6 7.197 6.576 -0.425 1.00 0.00 C ATOM 0 H LEU A 6 5.902 8.794 2.225 1.00 0.00 H new ATOM 0 HA LEU A 6 7.992 9.047 0.517 1.00 0.00 H new ATOM 0 HB2 LEU A 6 4.980 9.219 0.046 1.00 0.00 H new ATOM 0 HB3 LEU A 6 6.132 9.061 -1.264 1.00 0.00 H new ATOM 0 HG LEU A 6 5.631 7.040 0.931 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.719 5.678 -0.987 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.826 7.205 -0.789 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.037 7.045 -2.083 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.072 5.498 -0.327 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.499 6.815 -1.445 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.965 6.917 0.270 1.00 0.00 H new ATOM 87 N ALA A 7 6.324 11.892 0.676 1.00 0.00 N ATOM 88 CA ALA A 7 6.322 13.289 0.258 1.00 0.00 C ATOM 89 C ALA A 7 7.665 13.987 0.515 1.00 0.00 C ATOM 90 O ALA A 7 7.971 14.978 -0.150 1.00 0.00 O ATOM 91 CB ALA A 7 5.195 14.040 0.973 1.00 0.00 C ATOM 0 H ALA A 7 5.650 11.683 1.413 1.00 0.00 H new ATOM 0 HA ALA A 7 6.158 13.304 -0.819 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.196 15.084 0.658 1.00 0.00 H new ATOM 0 HB2 ALA A 7 4.237 13.586 0.719 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.348 13.986 2.051 1.00 0.00 H new ATOM 97 N LEU A 8 8.462 13.500 1.474 1.00 0.00 N ATOM 98 CA LEU A 8 9.759 14.088 1.810 1.00 0.00 C ATOM 99 C LEU A 8 10.844 13.662 0.815 1.00 0.00 C ATOM 100 O LEU A 8 11.893 14.302 0.747 1.00 0.00 O ATOM 101 CB LEU A 8 10.186 13.683 3.235 1.00 0.00 C ATOM 102 CG LEU A 8 9.198 14.054 4.358 1.00 0.00 C ATOM 103 CD1 LEU A 8 9.804 13.677 5.714 1.00 0.00 C ATOM 104 CD2 LEU A 8 8.832 15.544 4.371 1.00 0.00 C ATOM 0 H LEU A 8 8.222 12.685 2.039 1.00 0.00 H new ATOM 0 HA LEU A 8 9.646 15.171 1.758 1.00 0.00 H new ATOM 0 HB2 LEU A 8 10.342 12.604 3.255 1.00 0.00 H new ATOM 0 HB3 LEU A 8 11.147 14.149 3.453 1.00 0.00 H new ATOM 0 HG LEU A 8 8.280 13.497 4.169 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.106 13.939 6.510 1.00 0.00 H new ATOM 0 HD12 LEU A 8 9.999 12.605 5.740 1.00 0.00 H new ATOM 0 HD13 LEU A 8 10.739 14.219 5.858 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.134 15.740 5.185 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.734 16.139 4.516 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.368 15.813 3.422 1.00 0.00 H new ATOM 116 N ILE A 9 10.628 12.568 0.079 1.00 0.00 N ATOM 117 CA ILE A 9 11.625 11.974 -0.803 1.00 0.00 C ATOM 118 C ILE A 9 11.827 12.922 -2.005 1.00 0.00 C ATOM 119 O ILE A 9 10.828 13.367 -2.581 1.00 0.00 O ATOM 120 CB ILE A 9 11.162 10.552 -1.214 1.00 0.00 C ATOM 121 CG1 ILE A 9 10.920 9.692 0.054 1.00 0.00 C ATOM 122 CG2 ILE A 9 12.188 9.875 -2.138 1.00 0.00 C ATOM 123 CD1 ILE A 9 10.518 8.242 -0.216 1.00 0.00 C ATOM 0 H ILE A 9 9.740 12.066 0.082 1.00 0.00 H new ATOM 0 HA ILE A 9 12.588 11.856 -0.307 1.00 0.00 H new ATOM 0 HB ILE A 9 10.228 10.642 -1.769 1.00 0.00 H new ATOM 0 HG12 ILE A 9 11.829 9.695 0.656 1.00 0.00 H new ATOM 0 HG13 ILE A 9 10.140 10.164 0.652 1.00 0.00 H new ATOM 0 HG21 ILE A 9 11.834 8.880 -2.408 1.00 0.00 H new ATOM 0 HG22 ILE A 9 12.314 10.472 -3.041 1.00 0.00 H new ATOM 0 HG23 ILE A 9 13.144 9.792 -1.621 1.00 0.00 H new ATOM 0 HD11 ILE A 9 10.371 7.723 0.731 1.00 0.00 H new ATOM 0 HD12 ILE A 9 9.590 8.222 -0.788 1.00 0.00 H new ATOM 0 HD13 ILE A 9 11.305 7.746 -0.784 1.00 0.00 H new ATOM 135 N PRO A 10 13.075 13.234 -2.413 1.00 0.00 N ATOM 136 CA PRO A 10 13.332 14.006 -3.626 1.00 0.00 C ATOM 137 C PRO A 10 12.863 13.198 -4.839 1.00 0.00 C ATOM 138 O PRO A 10 13.060 11.982 -4.892 1.00 0.00 O ATOM 139 CB PRO A 10 14.839 14.277 -3.642 1.00 0.00 C ATOM 140 CG PRO A 10 15.423 13.131 -2.818 1.00 0.00 C ATOM 141 CD PRO A 10 14.329 12.831 -1.794 1.00 0.00 C ATOM 0 HA PRO A 10 12.792 14.952 -3.656 1.00 0.00 H new ATOM 0 HB2 PRO A 10 15.234 14.281 -4.658 1.00 0.00 H new ATOM 0 HB3 PRO A 10 15.076 15.246 -3.204 1.00 0.00 H new ATOM 0 HG2 PRO A 10 15.641 12.262 -3.438 1.00 0.00 H new ATOM 0 HG3 PRO A 10 16.356 13.420 -2.335 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.315 11.772 -1.538 1.00 0.00 H new ATOM 0 HD3 PRO A 10 14.501 13.380 -0.868 1.00 0.00 H new ATOM 149 N ASP A 11 12.262 13.858 -5.829 1.00 0.00 N ATOM 150 CA ASP A 11 11.576 13.164 -6.919 1.00 0.00 C ATOM 151 C ASP A 11 12.513 12.780 -8.068 1.00 0.00 C ATOM 152 O ASP A 11 12.454 11.661 -8.584 1.00 0.00 O ATOM 153 CB ASP A 11 10.428 14.051 -7.413 1.00 0.00 C ATOM 154 CG ASP A 11 9.423 13.254 -8.243 1.00 0.00 C ATOM 155 OD1 ASP A 11 8.886 12.247 -7.726 1.00 0.00 O ATOM 156 OD2 ASP A 11 9.098 13.664 -9.375 1.00 0.00 O ATOM 0 H ASP A 11 12.236 14.875 -5.899 1.00 0.00 H new ATOM 0 HA ASP A 11 11.186 12.221 -6.534 1.00 0.00 H new ATOM 0 HB2 ASP A 11 9.921 14.501 -6.559 1.00 0.00 H new ATOM 0 HB3 ASP A 11 10.830 14.868 -8.012 1.00 0.00 H new ATOM 161 N VAL A 12 13.466 13.650 -8.412 1.00 0.00 N ATOM 162 CA VAL A 12 14.362 13.482 -9.556 1.00 0.00 C ATOM 163 C VAL A 12 15.742 14.002 -9.159 1.00 0.00 C ATOM 164 O VAL A 12 15.848 15.038 -8.499 1.00 0.00 O ATOM 165 CB VAL A 12 13.826 14.282 -10.768 1.00 0.00 C ATOM 166 CG1 VAL A 12 14.706 14.138 -12.021 1.00 0.00 C ATOM 167 CG2 VAL A 12 12.401 13.887 -11.156 1.00 0.00 C ATOM 0 H VAL A 12 13.639 14.509 -7.891 1.00 0.00 H new ATOM 0 HA VAL A 12 14.422 12.430 -9.836 1.00 0.00 H new ATOM 0 HB VAL A 12 13.842 15.317 -10.428 1.00 0.00 H new ATOM 0 HG11 VAL A 12 14.278 14.722 -12.836 1.00 0.00 H new ATOM 0 HG12 VAL A 12 15.711 14.501 -11.804 1.00 0.00 H new ATOM 0 HG13 VAL A 12 14.754 13.089 -12.313 1.00 0.00 H new ATOM 0 HG21 VAL A 12 12.079 14.481 -12.011 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.375 12.829 -11.418 1.00 0.00 H new ATOM 0 HG23 VAL A 12 11.731 14.069 -10.315 1.00 0.00 H new ATOM 177 N ASP A 13 16.791 13.302 -9.591 1.00 0.00 N ATOM 178 CA ASP A 13 18.175 13.755 -9.507 1.00 0.00 C ATOM 179 C ASP A 13 18.946 12.979 -10.572 1.00 0.00 C ATOM 180 O ASP A 13 18.955 11.747 -10.541 1.00 0.00 O ATOM 181 CB ASP A 13 18.764 13.512 -8.111 1.00 0.00 C ATOM 182 CG ASP A 13 20.232 13.955 -8.036 1.00 0.00 C ATOM 183 OD1 ASP A 13 20.579 15.036 -8.563 1.00 0.00 O ATOM 184 OD2 ASP A 13 21.039 13.236 -7.405 1.00 0.00 O ATOM 0 H ASP A 13 16.697 12.381 -10.020 1.00 0.00 H new ATOM 0 HA ASP A 13 18.241 14.830 -9.677 1.00 0.00 H new ATOM 0 HB2 ASP A 13 18.180 14.056 -7.369 1.00 0.00 H new ATOM 0 HB3 ASP A 13 18.689 12.453 -7.862 1.00 0.00 H new ATOM 189 N ILE A 14 19.508 13.677 -11.560 1.00 0.00 N ATOM 190 CA ILE A 14 20.125 13.080 -12.745 1.00 0.00 C ATOM 191 C ILE A 14 21.422 13.829 -13.094 1.00 0.00 C ATOM 192 O ILE A 14 21.742 14.852 -12.481 1.00 0.00 O ATOM 193 CB ILE A 14 19.121 13.003 -13.925 1.00 0.00 C ATOM 194 CG1 ILE A 14 18.565 14.386 -14.332 1.00 0.00 C ATOM 195 CG2 ILE A 14 17.983 12.008 -13.626 1.00 0.00 C ATOM 196 CD1 ILE A 14 17.866 14.366 -15.697 1.00 0.00 C ATOM 0 H ILE A 14 19.548 14.696 -11.558 1.00 0.00 H new ATOM 0 HA ILE A 14 20.400 12.048 -12.528 1.00 0.00 H new ATOM 0 HB ILE A 14 19.681 12.632 -14.783 1.00 0.00 H new ATOM 0 HG12 ILE A 14 17.861 14.727 -13.573 1.00 0.00 H new ATOM 0 HG13 ILE A 14 19.381 15.108 -14.357 1.00 0.00 H new ATOM 0 HG21 ILE A 14 17.296 11.976 -14.472 1.00 0.00 H new ATOM 0 HG22 ILE A 14 18.402 11.015 -13.461 1.00 0.00 H new ATOM 0 HG23 ILE A 14 17.445 12.328 -12.733 1.00 0.00 H new ATOM 0 HD11 ILE A 14 17.496 15.364 -15.931 1.00 0.00 H new ATOM 0 HD12 ILE A 14 18.574 14.053 -16.464 1.00 0.00 H new ATOM 0 HD13 ILE A 14 17.030 13.667 -15.668 1.00 0.00 H new ATOM 208 N ASP A 15 22.158 13.339 -14.094 1.00 0.00 N ATOM 209 CA ASP A 15 23.521 13.762 -14.420 1.00 0.00 C ATOM 210 C ASP A 15 23.636 14.238 -15.874 1.00 0.00 C ATOM 211 O ASP A 15 24.458 13.751 -16.650 1.00 0.00 O ATOM 212 CB ASP A 15 24.447 12.585 -14.095 1.00 0.00 C ATOM 213 CG ASP A 15 25.948 12.892 -14.188 1.00 0.00 C ATOM 214 OD1 ASP A 15 26.362 14.073 -14.106 1.00 0.00 O ATOM 215 OD2 ASP A 15 26.722 11.910 -14.241 1.00 0.00 O ATOM 0 H ASP A 15 21.810 12.613 -14.720 1.00 0.00 H new ATOM 0 HA ASP A 15 23.813 14.628 -13.825 1.00 0.00 H new ATOM 0 HB2 ASP A 15 24.225 12.236 -13.086 1.00 0.00 H new ATOM 0 HB3 ASP A 15 24.217 11.764 -14.774 1.00 0.00 H new ATOM 220 N SER A 16 22.762 15.179 -16.245 1.00 0.00 N ATOM 221 CA SER A 16 22.489 15.721 -17.582 1.00 0.00 C ATOM 222 C SER A 16 23.687 16.274 -18.385 1.00 0.00 C ATOM 223 O SER A 16 23.490 16.819 -19.472 1.00 0.00 O ATOM 224 CB SER A 16 21.429 16.820 -17.415 1.00 0.00 C ATOM 225 OG SER A 16 20.395 16.406 -16.534 1.00 0.00 O ATOM 0 H SER A 16 22.168 15.626 -15.547 1.00 0.00 H new ATOM 0 HA SER A 16 22.162 14.873 -18.183 1.00 0.00 H new ATOM 0 HB2 SER A 16 21.898 17.726 -17.030 1.00 0.00 H new ATOM 0 HB3 SER A 16 21.004 17.070 -18.387 1.00 0.00 H new ATOM 0 HG SER A 16 19.735 17.125 -16.444 1.00 0.00 H new ATOM 231 N ASP A 17 24.916 16.183 -17.873 1.00 0.00 N ATOM 232 CA ASP A 17 26.128 16.706 -18.504 1.00 0.00 C ATOM 233 C ASP A 17 26.511 15.952 -19.789 1.00 0.00 C ATOM 234 O ASP A 17 27.253 16.486 -20.616 1.00 0.00 O ATOM 235 CB ASP A 17 27.281 16.635 -17.495 1.00 0.00 C ATOM 236 CG ASP A 17 28.587 17.215 -18.065 1.00 0.00 C ATOM 237 OD1 ASP A 17 28.673 18.449 -18.263 1.00 0.00 O ATOM 238 OD2 ASP A 17 29.556 16.449 -18.272 1.00 0.00 O ATOM 0 H ASP A 17 25.100 15.728 -16.979 1.00 0.00 H new ATOM 0 HA ASP A 17 25.929 17.737 -18.797 1.00 0.00 H new ATOM 0 HB2 ASP A 17 27.006 17.181 -16.592 1.00 0.00 H new ATOM 0 HB3 ASP A 17 27.443 15.597 -17.203 1.00 0.00 H new ATOM 243 N GLY A 18 26.010 14.727 -19.983 1.00 0.00 N ATOM 244 CA GLY A 18 26.394 13.859 -21.092 1.00 0.00 C ATOM 245 C GLY A 18 25.437 12.679 -21.239 1.00 0.00 C ATOM 246 O GLY A 18 24.290 12.748 -20.790 1.00 0.00 O ATOM 0 H GLY A 18 25.317 14.309 -19.363 1.00 0.00 H new ATOM 0 HA2 GLY A 18 26.408 14.435 -22.018 1.00 0.00 H new ATOM 0 HA3 GLY A 18 27.407 13.489 -20.932 1.00 0.00 H new ATOM 250 N VAL A 19 25.899 11.609 -21.888 1.00 0.00 N ATOM 251 CA VAL A 19 25.166 10.352 -22.021 1.00 0.00 C ATOM 252 C VAL A 19 25.453 9.512 -20.770 1.00 0.00 C ATOM 253 O VAL A 19 26.619 9.353 -20.399 1.00 0.00 O ATOM 254 CB VAL A 19 25.609 9.630 -23.316 1.00 0.00 C ATOM 255 CG1 VAL A 19 24.891 8.285 -23.511 1.00 0.00 C ATOM 256 CG2 VAL A 19 25.365 10.505 -24.557 1.00 0.00 C ATOM 0 H VAL A 19 26.811 11.593 -22.344 1.00 0.00 H new ATOM 0 HA VAL A 19 24.092 10.522 -22.098 1.00 0.00 H new ATOM 0 HB VAL A 19 26.677 9.442 -23.203 1.00 0.00 H new ATOM 0 HG11 VAL A 19 25.237 7.818 -24.433 1.00 0.00 H new ATOM 0 HG12 VAL A 19 25.111 7.630 -22.668 1.00 0.00 H new ATOM 0 HG13 VAL A 19 23.815 8.452 -23.570 1.00 0.00 H new ATOM 0 HG21 VAL A 19 25.687 9.968 -25.450 1.00 0.00 H new ATOM 0 HG22 VAL A 19 24.303 10.736 -24.636 1.00 0.00 H new ATOM 0 HG23 VAL A 19 25.932 11.431 -24.466 1.00 0.00 H new ATOM 266 N PHE A 20 24.418 8.956 -20.136 1.00 0.00 N ATOM 267 CA PHE A 20 24.521 8.094 -18.955 1.00 0.00 C ATOM 268 C PHE A 20 23.274 7.209 -18.873 1.00 0.00 C ATOM 269 O PHE A 20 22.290 7.452 -19.574 1.00 0.00 O ATOM 270 CB PHE A 20 24.661 8.931 -17.669 1.00 0.00 C ATOM 271 CG PHE A 20 23.488 9.863 -17.402 1.00 0.00 C ATOM 272 CD1 PHE A 20 23.401 11.085 -18.088 1.00 0.00 C ATOM 273 CD2 PHE A 20 22.454 9.495 -16.523 1.00 0.00 C ATOM 274 CE1 PHE A 20 22.280 11.913 -17.928 1.00 0.00 C ATOM 275 CE2 PHE A 20 21.345 10.341 -16.332 1.00 0.00 C ATOM 276 CZ PHE A 20 21.257 11.552 -17.038 1.00 0.00 C ATOM 0 H PHE A 20 23.455 9.097 -20.440 1.00 0.00 H new ATOM 0 HA PHE A 20 25.412 7.473 -19.048 1.00 0.00 H new ATOM 0 HB2 PHE A 20 24.776 8.257 -16.820 1.00 0.00 H new ATOM 0 HB3 PHE A 20 25.574 9.523 -17.731 1.00 0.00 H new ATOM 0 HD1 PHE A 20 24.203 11.390 -18.744 1.00 0.00 H new ATOM 0 HD2 PHE A 20 22.511 8.557 -15.991 1.00 0.00 H new ATOM 0 HE1 PHE A 20 22.204 12.831 -18.492 1.00 0.00 H new ATOM 0 HE2 PHE A 20 20.563 10.059 -15.643 1.00 0.00 H new ATOM 0 HZ PHE A 20 20.406 12.202 -16.897 1.00 0.00 H new ATOM 286 N LYS A 21 23.298 6.185 -18.015 1.00 0.00 N ATOM 287 CA LYS A 21 22.187 5.248 -17.854 1.00 0.00 C ATOM 288 C LYS A 21 21.377 5.617 -16.620 1.00 0.00 C ATOM 289 O LYS A 21 21.899 6.230 -15.687 1.00 0.00 O ATOM 290 CB LYS A 21 22.709 3.809 -17.746 1.00 0.00 C ATOM 291 CG LYS A 21 23.411 3.335 -19.028 1.00 0.00 C ATOM 292 CD LYS A 21 23.965 1.921 -18.833 1.00 0.00 C ATOM 293 CE LYS A 21 24.822 1.496 -20.034 1.00 0.00 C ATOM 294 NZ LYS A 21 25.466 0.177 -19.815 1.00 0.00 N ATOM 0 H LYS A 21 24.094 5.983 -17.410 1.00 0.00 H new ATOM 0 HA LYS A 21 21.542 5.310 -18.731 1.00 0.00 H new ATOM 0 HB2 LYS A 21 23.404 3.741 -16.909 1.00 0.00 H new ATOM 0 HB3 LYS A 21 21.877 3.141 -17.524 1.00 0.00 H new ATOM 0 HG2 LYS A 21 22.709 3.347 -19.862 1.00 0.00 H new ATOM 0 HG3 LYS A 21 24.220 4.019 -19.283 1.00 0.00 H new ATOM 0 HD2 LYS A 21 24.564 1.883 -17.923 1.00 0.00 H new ATOM 0 HD3 LYS A 21 23.142 1.219 -18.702 1.00 0.00 H new ATOM 0 HE2 LYS A 21 24.199 1.452 -20.927 1.00 0.00 H new ATOM 0 HE3 LYS A 21 25.589 2.249 -20.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 26.176 0.010 -20.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 25.929 0.167 -18.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 24.745 -0.572 -19.851 1.00 0.00 H new ATOM 308 N TYR A 22 20.104 5.231 -16.609 1.00 0.00 N ATOM 309 CA TYR A 22 19.155 5.624 -15.579 1.00 0.00 C ATOM 310 C TYR A 22 18.242 4.436 -15.241 1.00 0.00 C ATOM 311 O TYR A 22 18.243 3.416 -15.947 1.00 0.00 O ATOM 312 CB TYR A 22 18.400 6.894 -16.037 1.00 0.00 C ATOM 313 CG TYR A 22 16.939 6.674 -16.347 1.00 0.00 C ATOM 314 CD1 TYR A 22 16.579 5.948 -17.493 1.00 0.00 C ATOM 315 CD2 TYR A 22 15.955 7.074 -15.422 1.00 0.00 C ATOM 316 CE1 TYR A 22 15.246 5.566 -17.688 1.00 0.00 C ATOM 317 CE2 TYR A 22 14.612 6.720 -15.627 1.00 0.00 C ATOM 318 CZ TYR A 22 14.259 5.950 -16.755 1.00 0.00 C ATOM 319 OH TYR A 22 12.966 5.591 -16.955 1.00 0.00 O ATOM 0 H TYR A 22 19.700 4.628 -17.326 1.00 0.00 H new ATOM 0 HA TYR A 22 19.664 5.887 -14.652 1.00 0.00 H new ATOM 0 HB2 TYR A 22 18.483 7.652 -15.258 1.00 0.00 H new ATOM 0 HB3 TYR A 22 18.891 7.293 -16.924 1.00 0.00 H new ATOM 0 HD1 TYR A 22 17.329 5.684 -18.224 1.00 0.00 H new ATOM 0 HD2 TYR A 22 16.234 7.653 -14.554 1.00 0.00 H new ATOM 0 HE1 TYR A 22 14.973 4.978 -18.552 1.00 0.00 H new ATOM 0 HE2 TYR A 22 13.854 7.035 -14.925 1.00 0.00 H new ATOM 0 HH TYR A 22 12.403 6.393 -16.973 1.00 0.00 H new ATOM 329 N VAL A 23 17.460 4.574 -14.170 1.00 0.00 N ATOM 330 CA VAL A 23 16.486 3.598 -13.710 1.00 0.00 C ATOM 331 C VAL A 23 15.265 4.356 -13.158 1.00 0.00 C ATOM 332 O VAL A 23 15.388 5.492 -12.677 1.00 0.00 O ATOM 333 CB VAL A 23 17.180 2.661 -12.692 1.00 0.00 C ATOM 334 CG1 VAL A 23 17.496 3.350 -11.355 1.00 0.00 C ATOM 335 CG2 VAL A 23 16.394 1.369 -12.440 1.00 0.00 C ATOM 0 H VAL A 23 17.493 5.405 -13.579 1.00 0.00 H new ATOM 0 HA VAL A 23 16.114 2.959 -14.511 1.00 0.00 H new ATOM 0 HB VAL A 23 18.126 2.397 -13.164 1.00 0.00 H new ATOM 0 HG11 VAL A 23 17.981 2.640 -10.686 1.00 0.00 H new ATOM 0 HG12 VAL A 23 18.160 4.196 -11.530 1.00 0.00 H new ATOM 0 HG13 VAL A 23 16.571 3.703 -10.900 1.00 0.00 H new ATOM 0 HG21 VAL A 23 16.929 0.752 -11.718 1.00 0.00 H new ATOM 0 HG22 VAL A 23 15.407 1.614 -12.047 1.00 0.00 H new ATOM 0 HG23 VAL A 23 16.286 0.821 -13.376 1.00 0.00 H new ATOM 345 N LEU A 24 14.095 3.710 -13.196 1.00 0.00 N ATOM 346 CA LEU A 24 12.833 4.223 -12.673 1.00 0.00 C ATOM 347 C LEU A 24 12.440 3.263 -11.563 1.00 0.00 C ATOM 348 O LEU A 24 12.210 2.085 -11.853 1.00 0.00 O ATOM 349 CB LEU A 24 11.773 4.242 -13.796 1.00 0.00 C ATOM 350 CG LEU A 24 10.400 4.848 -13.425 1.00 0.00 C ATOM 351 CD1 LEU A 24 10.502 6.346 -13.134 1.00 0.00 C ATOM 352 CD2 LEU A 24 9.414 4.642 -14.581 1.00 0.00 C ATOM 0 H LEU A 24 14.002 2.782 -13.608 1.00 0.00 H new ATOM 0 HA LEU A 24 12.917 5.244 -12.300 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.178 4.800 -14.640 1.00 0.00 H new ATOM 0 HB3 LEU A 24 11.616 3.219 -14.137 1.00 0.00 H new ATOM 0 HG LEU A 24 10.051 4.341 -12.525 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.517 6.735 -12.877 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.185 6.509 -12.300 1.00 0.00 H new ATOM 0 HD13 LEU A 24 10.877 6.863 -14.017 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.448 5.070 -14.316 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.795 5.133 -15.476 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.297 3.576 -14.774 1.00 0.00 H new ATOM 364 N ILE A 25 12.401 3.720 -10.309 1.00 0.00 N ATOM 365 CA ILE A 25 12.142 2.830 -9.178 1.00 0.00 C ATOM 366 C ILE A 25 10.874 3.281 -8.462 1.00 0.00 C ATOM 367 O ILE A 25 10.696 4.468 -8.191 1.00 0.00 O ATOM 368 CB ILE A 25 13.382 2.587 -8.264 1.00 0.00 C ATOM 369 CG1 ILE A 25 13.291 3.184 -6.842 1.00 0.00 C ATOM 370 CG2 ILE A 25 14.737 2.964 -8.902 1.00 0.00 C ATOM 371 CD1 ILE A 25 14.353 2.635 -5.883 1.00 0.00 C ATOM 0 H ILE A 25 12.545 4.697 -10.053 1.00 0.00 H new ATOM 0 HA ILE A 25 11.954 1.825 -9.557 1.00 0.00 H new ATOM 0 HB ILE A 25 13.350 1.503 -8.155 1.00 0.00 H new ATOM 0 HG12 ILE A 25 13.393 4.267 -6.904 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.302 2.980 -6.433 1.00 0.00 H new ATOM 0 HG21 ILE A 25 15.541 2.761 -8.195 1.00 0.00 H new ATOM 0 HG22 ILE A 25 14.891 2.373 -9.805 1.00 0.00 H new ATOM 0 HG23 ILE A 25 14.737 4.024 -9.157 1.00 0.00 H new ATOM 0 HD11 ILE A 25 14.232 3.096 -4.903 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.238 1.555 -5.792 1.00 0.00 H new ATOM 0 HD13 ILE A 25 15.346 2.863 -6.271 1.00 0.00 H new ATOM 383 N ARG A 26 9.993 2.323 -8.179 1.00 0.00 N ATOM 384 CA ARG A 26 8.833 2.496 -7.321 1.00 0.00 C ATOM 385 C ARG A 26 9.308 2.445 -5.877 1.00 0.00 C ATOM 386 O ARG A 26 10.223 1.684 -5.565 1.00 0.00 O ATOM 387 CB ARG A 26 7.828 1.373 -7.612 1.00 0.00 C ATOM 388 CG ARG A 26 6.547 1.476 -6.763 1.00 0.00 C ATOM 389 CD ARG A 26 5.352 0.786 -7.434 1.00 0.00 C ATOM 390 NE ARG A 26 4.889 1.580 -8.581 1.00 0.00 N ATOM 391 CZ ARG A 26 4.033 1.221 -9.539 1.00 0.00 C ATOM 392 NH1 ARG A 26 3.458 0.020 -9.523 1.00 0.00 N ATOM 393 NH2 ARG A 26 3.761 2.082 -10.513 1.00 0.00 N ATOM 0 H ARG A 26 10.074 1.378 -8.554 1.00 0.00 H new ATOM 0 HA ARG A 26 8.341 3.451 -7.504 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.560 1.398 -8.668 1.00 0.00 H new ATOM 0 HB3 ARG A 26 8.304 0.410 -7.426 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.723 1.026 -5.786 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.310 2.526 -6.592 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.637 -0.213 -7.765 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.542 0.664 -6.715 1.00 0.00 H new ATOM 0 HE ARG A 26 5.270 2.523 -8.653 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.670 -0.637 -8.772 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.805 -0.243 -10.261 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.204 3.001 -10.520 1.00 0.00 H new ATOM 0 HH22 ARG A 26 3.109 1.825 -11.254 1.00 0.00 H new ATOM 407 N VAL A 27 8.647 3.190 -5.005 1.00 0.00 N ATOM 408 CA VAL A 27 8.939 3.325 -3.592 1.00 0.00 C ATOM 409 C VAL A 27 7.584 3.196 -2.896 1.00 0.00 C ATOM 410 O VAL A 27 6.648 3.908 -3.264 1.00 0.00 O ATOM 411 CB VAL A 27 9.585 4.710 -3.338 1.00 0.00 C ATOM 412 CG1 VAL A 27 10.099 4.822 -1.899 1.00 0.00 C ATOM 413 CG2 VAL A 27 10.748 5.048 -4.289 1.00 0.00 C ATOM 0 H VAL A 27 7.842 3.750 -5.286 1.00 0.00 H new ATOM 0 HA VAL A 27 9.639 2.577 -3.221 1.00 0.00 H new ATOM 0 HB VAL A 27 8.784 5.425 -3.525 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.547 5.804 -1.748 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.269 4.692 -1.205 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.847 4.050 -1.719 1.00 0.00 H new ATOM 0 HG21 VAL A 27 11.144 6.034 -4.044 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.536 4.303 -4.179 1.00 0.00 H new ATOM 0 HG23 VAL A 27 10.389 5.047 -5.318 1.00 0.00 H new ATOM 423 N HIS A 28 7.459 2.281 -1.934 1.00 0.00 N ATOM 424 CA HIS A 28 6.235 2.041 -1.166 1.00 0.00 C ATOM 425 C HIS A 28 6.325 2.798 0.162 1.00 0.00 C ATOM 426 O HIS A 28 7.420 2.914 0.722 1.00 0.00 O ATOM 427 CB HIS A 28 6.093 0.532 -0.921 1.00 0.00 C ATOM 428 CG HIS A 28 6.142 -0.308 -2.180 1.00 0.00 C ATOM 429 ND1 HIS A 28 5.244 -0.285 -3.223 1.00 0.00 N ATOM 430 CD2 HIS A 28 7.102 -1.228 -2.508 1.00 0.00 C ATOM 431 CE1 HIS A 28 5.645 -1.173 -4.146 1.00 0.00 C ATOM 432 NE2 HIS A 28 6.783 -1.777 -3.758 1.00 0.00 N ATOM 0 H HIS A 28 8.227 1.669 -1.659 1.00 0.00 H new ATOM 0 HA HIS A 28 5.361 2.395 -1.713 1.00 0.00 H new ATOM 0 HB2 HIS A 28 6.888 0.208 -0.250 1.00 0.00 H new ATOM 0 HB3 HIS A 28 5.149 0.345 -0.410 1.00 0.00 H new ATOM 0 HD2 HIS A 28 7.960 -1.487 -1.905 1.00 0.00 H new ATOM 0 HE1 HIS A 28 5.126 -1.375 -5.072 1.00 0.00 H new ATOM 0 HE2 HIS A 28 7.306 -2.488 -4.269 1.00 0.00 H new ATOM 440 N SER A 29 5.198 3.299 0.684 1.00 0.00 N ATOM 441 CA SER A 29 5.162 3.994 1.967 1.00 0.00 C ATOM 442 C SER A 29 5.552 3.051 3.116 1.00 0.00 C ATOM 443 O SER A 29 4.745 2.242 3.577 1.00 0.00 O ATOM 444 CB SER A 29 3.781 4.597 2.251 1.00 0.00 C ATOM 445 OG SER A 29 3.221 5.279 1.151 1.00 0.00 O ATOM 0 H SER A 29 4.289 3.232 0.226 1.00 0.00 H new ATOM 0 HA SER A 29 5.887 4.806 1.904 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.103 3.800 2.556 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.862 5.286 3.091 1.00 0.00 H new ATOM 0 HG SER A 29 2.524 5.892 1.466 1.00 0.00 H new ATOM 451 N ALA A 30 6.797 3.162 3.572 1.00 0.00 N ATOM 452 CA ALA A 30 7.315 2.543 4.782 1.00 0.00 C ATOM 453 C ALA A 30 8.417 3.362 5.506 1.00 0.00 C ATOM 454 O ALA A 30 9.005 2.787 6.423 1.00 0.00 O ATOM 455 CB ALA A 30 7.768 1.107 4.465 1.00 0.00 C ATOM 0 H ALA A 30 7.503 3.712 3.083 1.00 0.00 H new ATOM 0 HA ALA A 30 6.498 2.518 5.503 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.157 0.640 5.370 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.920 0.531 4.095 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.549 1.131 3.705 1.00 0.00 H new ATOM 461 N PRO A 31 8.752 4.644 5.186 1.00 0.00 N ATOM 462 CA PRO A 31 9.723 5.400 5.977 1.00 0.00 C ATOM 463 C PRO A 31 9.539 5.282 7.497 1.00 0.00 C ATOM 464 O PRO A 31 8.415 5.272 8.011 1.00 0.00 O ATOM 465 CB PRO A 31 9.624 6.853 5.528 1.00 0.00 C ATOM 466 CG PRO A 31 9.170 6.759 4.084 1.00 0.00 C ATOM 467 CD PRO A 31 8.327 5.485 4.062 1.00 0.00 C ATOM 0 HA PRO A 31 10.713 4.980 5.797 1.00 0.00 H new ATOM 0 HB2 PRO A 31 8.911 7.411 6.135 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.583 7.363 5.613 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.588 7.632 3.788 1.00 0.00 H new ATOM 0 HG3 PRO A 31 10.016 6.693 3.400 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.268 5.727 4.146 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.459 4.956 3.118 1.00 0.00 H new ATOM 475 N ARG A 32 10.671 5.187 8.204 1.00 0.00 N ATOM 476 CA ARG A 32 10.813 4.944 9.644 1.00 0.00 C ATOM 477 C ARG A 32 9.886 3.847 10.190 1.00 0.00 C ATOM 478 O ARG A 32 9.575 3.851 11.382 1.00 0.00 O ATOM 479 CB ARG A 32 10.718 6.288 10.403 1.00 0.00 C ATOM 480 CG ARG A 32 11.842 7.299 10.086 1.00 0.00 C ATOM 481 CD ARG A 32 13.146 7.084 10.879 1.00 0.00 C ATOM 482 NE ARG A 32 13.839 5.823 10.548 1.00 0.00 N ATOM 483 CZ ARG A 32 14.708 5.624 9.545 1.00 0.00 C ATOM 484 NH1 ARG A 32 15.105 6.620 8.761 1.00 0.00 N ATOM 485 NH2 ARG A 32 15.193 4.410 9.313 1.00 0.00 N ATOM 0 H ARG A 32 11.579 5.285 7.750 1.00 0.00 H new ATOM 0 HA ARG A 32 11.804 4.526 9.820 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.758 6.751 10.173 1.00 0.00 H new ATOM 0 HB3 ARG A 32 10.725 6.084 11.474 1.00 0.00 H new ATOM 0 HG2 ARG A 32 12.068 7.248 9.021 1.00 0.00 H new ATOM 0 HG3 ARG A 32 11.473 8.305 10.285 1.00 0.00 H new ATOM 0 HD2 ARG A 32 13.819 7.920 10.688 1.00 0.00 H new ATOM 0 HD3 ARG A 32 12.919 7.095 11.945 1.00 0.00 H new ATOM 0 HE ARG A 32 13.636 5.020 11.143 1.00 0.00 H new ATOM 0 HH11 ARG A 32 14.748 7.563 8.915 1.00 0.00 H new ATOM 0 HH12 ARG A 32 15.767 6.442 8.005 1.00 0.00 H new ATOM 0 HH21 ARG A 32 14.905 3.625 9.898 1.00 0.00 H new ATOM 0 HH22 ARG A 32 15.853 4.262 8.550 1.00 0.00 H new ATOM 499 N SER A 33 9.451 2.907 9.343 1.00 0.00 N ATOM 500 CA SER A 33 8.483 1.863 9.670 1.00 0.00 C ATOM 501 C SER A 33 7.215 2.429 10.340 1.00 0.00 C ATOM 502 O SER A 33 6.596 1.756 11.168 1.00 0.00 O ATOM 503 CB SER A 33 9.175 0.757 10.487 1.00 0.00 C ATOM 504 OG SER A 33 10.384 0.337 9.867 1.00 0.00 O ATOM 0 H SER A 33 9.777 2.854 8.378 1.00 0.00 H new ATOM 0 HA SER A 33 8.122 1.410 8.746 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.387 1.123 11.492 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.503 -0.095 10.593 1.00 0.00 H new ATOM 0 HG SER A 33 10.803 -0.364 10.408 1.00 0.00 H new ATOM 510 N GLY A 34 6.835 3.671 10.010 1.00 0.00 N ATOM 511 CA GLY A 34 5.775 4.395 10.708 1.00 0.00 C ATOM 512 C GLY A 34 5.061 5.435 9.845 1.00 0.00 C ATOM 513 O GLY A 34 4.218 6.163 10.372 1.00 0.00 O ATOM 0 H GLY A 34 7.259 4.200 9.248 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.041 3.678 11.077 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.201 4.892 11.580 1.00 0.00 H new ATOM 517 N ALA A 35 5.372 5.515 8.544 1.00 0.00 N ATOM 518 CA ALA A 35 4.655 6.361 7.594 1.00 0.00 C ATOM 519 C ALA A 35 3.134 6.095 7.671 1.00 0.00 C ATOM 520 O ALA A 35 2.727 4.955 7.919 1.00 0.00 O ATOM 521 CB ALA A 35 5.221 6.129 6.190 1.00 0.00 C ATOM 0 H ALA A 35 6.136 4.987 8.123 1.00 0.00 H new ATOM 0 HA ALA A 35 4.798 7.412 7.846 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.690 6.758 5.475 1.00 0.00 H new ATOM 0 HB2 ALA A 35 6.281 6.382 6.179 1.00 0.00 H new ATOM 0 HB3 ALA A 35 5.095 5.082 5.915 1.00 0.00 H new ATOM 527 N PRO A 36 2.280 7.108 7.431 1.00 0.00 N ATOM 528 CA PRO A 36 0.842 7.038 7.698 1.00 0.00 C ATOM 529 C PRO A 36 0.008 6.175 6.735 1.00 0.00 C ATOM 530 O PRO A 36 -1.207 6.078 6.930 1.00 0.00 O ATOM 531 CB PRO A 36 0.373 8.502 7.690 1.00 0.00 C ATOM 532 CG PRO A 36 1.346 9.182 6.730 1.00 0.00 C ATOM 533 CD PRO A 36 2.654 8.458 7.029 1.00 0.00 C ATOM 0 HA PRO A 36 0.685 6.525 8.647 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -0.658 8.591 7.347 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.417 8.943 8.686 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.043 9.061 5.690 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.421 10.253 6.918 1.00 0.00 H new ATOM 0 HD2 PRO A 36 3.300 8.439 6.151 1.00 0.00 H new ATOM 0 HD3 PRO A 36 3.207 8.962 7.821 1.00 0.00 H new ATOM 541 N ALA A 37 0.598 5.576 5.696 1.00 0.00 N ATOM 542 CA ALA A 37 -0.135 4.910 4.622 1.00 0.00 C ATOM 543 C ALA A 37 0.687 3.760 4.023 1.00 0.00 C ATOM 544 O ALA A 37 1.776 3.454 4.514 1.00 0.00 O ATOM 545 CB ALA A 37 -0.483 5.967 3.561 1.00 0.00 C ATOM 0 H ALA A 37 1.611 5.541 5.578 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.050 4.465 5.012 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.032 5.497 2.745 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.099 6.746 4.011 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.435 6.409 3.173 1.00 0.00 H new ATOM 551 N ALA A 38 0.173 3.156 2.945 1.00 0.00 N ATOM 552 CA ALA A 38 0.844 2.176 2.091 1.00 0.00 C ATOM 553 C ALA A 38 0.564 2.533 0.628 1.00 0.00 C ATOM 554 O ALA A 38 0.111 1.701 -0.163 1.00 0.00 O ATOM 555 CB ALA A 38 0.438 0.745 2.457 1.00 0.00 C ATOM 0 H ALA A 38 -0.777 3.351 2.630 1.00 0.00 H new ATOM 0 HA ALA A 38 1.922 2.213 2.248 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.954 0.042 1.804 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.709 0.544 3.493 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.639 0.630 2.335 1.00 0.00 H new ATOM 561 N GLU A 39 0.769 3.808 0.296 1.00 0.00 N ATOM 562 CA GLU A 39 0.752 4.286 -1.077 1.00 0.00 C ATOM 563 C GLU A 39 2.077 3.900 -1.752 1.00 0.00 C ATOM 564 O GLU A 39 2.906 3.172 -1.190 1.00 0.00 O ATOM 565 CB GLU A 39 0.516 5.811 -1.099 1.00 0.00 C ATOM 566 CG GLU A 39 -0.835 6.243 -0.505 1.00 0.00 C ATOM 567 CD GLU A 39 -2.037 5.629 -1.245 1.00 0.00 C ATOM 568 OE1 GLU A 39 -2.287 5.989 -2.418 1.00 0.00 O ATOM 569 OE2 GLU A 39 -2.766 4.800 -0.654 1.00 0.00 O ATOM 0 H GLU A 39 0.953 4.540 0.982 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.064 3.824 -1.632 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.318 6.300 -0.546 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.578 6.163 -2.129 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.874 5.953 0.545 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.910 7.330 -0.539 1.00 0.00 H new ATOM 576 N SER A 40 2.296 4.358 -2.984 1.00 0.00 N ATOM 577 CA SER A 40 3.575 4.239 -3.667 1.00 0.00 C ATOM 578 C SER A 40 3.753 5.398 -4.648 1.00 0.00 C ATOM 579 O SER A 40 2.778 6.045 -5.044 1.00 0.00 O ATOM 580 CB SER A 40 3.684 2.893 -4.395 1.00 0.00 C ATOM 581 OG SER A 40 3.357 1.818 -3.530 1.00 0.00 O ATOM 0 H SER A 40 1.580 4.827 -3.539 1.00 0.00 H new ATOM 0 HA SER A 40 4.371 4.282 -2.923 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.016 2.887 -5.257 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.697 2.763 -4.776 1.00 0.00 H new ATOM 0 HG SER A 40 4.151 1.263 -3.383 1.00 0.00 H new ATOM 587 N LYS A 41 5.001 5.653 -5.040 1.00 0.00 N ATOM 588 CA LYS A 41 5.399 6.679 -6.004 1.00 0.00 C ATOM 589 C LYS A 41 6.652 6.207 -6.727 1.00 0.00 C ATOM 590 O LYS A 41 7.348 5.329 -6.218 1.00 0.00 O ATOM 591 CB LYS A 41 5.607 8.036 -5.294 1.00 0.00 C ATOM 592 CG LYS A 41 6.651 8.070 -4.153 1.00 0.00 C ATOM 593 CD LYS A 41 8.129 8.309 -4.506 1.00 0.00 C ATOM 594 CE LYS A 41 8.517 9.784 -4.710 1.00 0.00 C ATOM 595 NZ LYS A 41 8.025 10.344 -5.993 1.00 0.00 N ATOM 0 H LYS A 41 5.797 5.127 -4.679 1.00 0.00 H new ATOM 0 HA LYS A 41 4.612 6.832 -6.742 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.898 8.771 -6.044 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.648 8.358 -4.888 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.349 8.849 -3.453 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.588 7.121 -3.620 1.00 0.00 H new ATOM 0 HD2 LYS A 41 8.749 7.892 -3.712 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.364 7.758 -5.417 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.118 10.376 -3.886 1.00 0.00 H new ATOM 0 HE3 LYS A 41 9.602 9.876 -4.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.577 11.191 -6.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.131 9.634 -6.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.022 10.600 -5.898 1.00 0.00 H new ATOM 609 N GLU A 42 6.999 6.847 -7.843 1.00 0.00 N ATOM 610 CA GLU A 42 8.194 6.517 -8.611 1.00 0.00 C ATOM 611 C GLU A 42 9.212 7.636 -8.419 1.00 0.00 C ATOM 612 O GLU A 42 8.822 8.780 -8.164 1.00 0.00 O ATOM 613 CB GLU A 42 7.854 6.383 -10.109 1.00 0.00 C ATOM 614 CG GLU A 42 7.439 4.975 -10.546 1.00 0.00 C ATOM 615 CD GLU A 42 6.067 4.537 -10.013 1.00 0.00 C ATOM 616 OE1 GLU A 42 5.984 4.086 -8.855 1.00 0.00 O ATOM 617 OE2 GLU A 42 5.072 4.542 -10.773 1.00 0.00 O ATOM 0 H GLU A 42 6.455 7.613 -8.240 1.00 0.00 H new ATOM 0 HA GLU A 42 8.599 5.567 -8.264 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.047 7.076 -10.348 1.00 0.00 H new ATOM 0 HB3 GLU A 42 8.721 6.690 -10.694 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.425 4.933 -11.635 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.193 4.264 -10.209 1.00 0.00 H new ATOM 624 N ILE A 43 10.498 7.330 -8.584 1.00 0.00 N ATOM 625 CA ILE A 43 11.589 8.298 -8.615 1.00 0.00 C ATOM 626 C ILE A 43 12.514 7.969 -9.785 1.00 0.00 C ATOM 627 O ILE A 43 12.592 6.818 -10.226 1.00 0.00 O ATOM 628 CB ILE A 43 12.365 8.340 -7.278 1.00 0.00 C ATOM 629 CG1 ILE A 43 12.955 6.971 -6.877 1.00 0.00 C ATOM 630 CG2 ILE A 43 11.464 8.904 -6.172 1.00 0.00 C ATOM 631 CD1 ILE A 43 13.869 7.021 -5.646 1.00 0.00 C ATOM 0 H ILE A 43 10.818 6.369 -8.704 1.00 0.00 H new ATOM 0 HA ILE A 43 11.169 9.294 -8.755 1.00 0.00 H new ATOM 0 HB ILE A 43 13.220 9.001 -7.419 1.00 0.00 H new ATOM 0 HG12 ILE A 43 12.137 6.278 -6.681 1.00 0.00 H new ATOM 0 HG13 ILE A 43 13.519 6.569 -7.719 1.00 0.00 H new ATOM 0 HG21 ILE A 43 12.015 8.931 -5.232 1.00 0.00 H new ATOM 0 HG22 ILE A 43 11.150 9.913 -6.438 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.586 8.269 -6.059 1.00 0.00 H new ATOM 0 HD11 ILE A 43 14.243 6.020 -5.429 1.00 0.00 H new ATOM 0 HD12 ILE A 43 14.709 7.687 -5.843 1.00 0.00 H new ATOM 0 HD13 ILE A 43 13.306 7.391 -4.789 1.00 0.00 H new ATOM 643 N VAL A 44 13.227 8.989 -10.258 1.00 0.00 N ATOM 644 CA VAL A 44 14.062 8.939 -11.452 1.00 0.00 C ATOM 645 C VAL A 44 15.487 9.222 -10.986 1.00 0.00 C ATOM 646 O VAL A 44 15.731 10.289 -10.410 1.00 0.00 O ATOM 647 CB VAL A 44 13.553 10.008 -12.448 1.00 0.00 C ATOM 648 CG1 VAL A 44 14.418 10.127 -13.708 1.00 0.00 C ATOM 649 CG2 VAL A 44 12.105 9.746 -12.891 1.00 0.00 C ATOM 0 H VAL A 44 13.238 9.902 -9.804 1.00 0.00 H new ATOM 0 HA VAL A 44 14.028 7.976 -11.961 1.00 0.00 H new ATOM 0 HB VAL A 44 13.611 10.943 -11.891 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.004 10.894 -14.362 1.00 0.00 H new ATOM 0 HG12 VAL A 44 15.435 10.400 -13.427 1.00 0.00 H new ATOM 0 HG13 VAL A 44 14.431 9.171 -14.232 1.00 0.00 H new ATOM 0 HG21 VAL A 44 11.792 10.522 -13.589 1.00 0.00 H new ATOM 0 HG22 VAL A 44 12.044 8.773 -13.379 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.450 9.757 -12.020 1.00 0.00 H new ATOM 659 N ARG A 45 16.417 8.289 -11.219 1.00 0.00 N ATOM 660 CA ARG A 45 17.839 8.464 -10.910 1.00 0.00 C ATOM 661 C ARG A 45 18.654 7.967 -12.092 1.00 0.00 C ATOM 662 O ARG A 45 18.256 7.006 -12.751 1.00 0.00 O ATOM 663 CB ARG A 45 18.256 7.668 -9.654 1.00 0.00 C ATOM 664 CG ARG A 45 17.642 8.133 -8.325 1.00 0.00 C ATOM 665 CD ARG A 45 17.968 9.584 -7.944 1.00 0.00 C ATOM 666 NE ARG A 45 16.730 10.359 -7.819 1.00 0.00 N ATOM 667 CZ ARG A 45 16.021 10.565 -6.707 1.00 0.00 C ATOM 668 NH1 ARG A 45 16.511 10.260 -5.509 1.00 0.00 N ATOM 669 NH2 ARG A 45 14.798 11.060 -6.811 1.00 0.00 N ATOM 0 H ARG A 45 16.200 7.382 -11.632 1.00 0.00 H new ATOM 0 HA ARG A 45 18.019 9.522 -10.717 1.00 0.00 H new ATOM 0 HB2 ARG A 45 17.991 6.622 -9.807 1.00 0.00 H new ATOM 0 HB3 ARG A 45 19.341 7.712 -9.565 1.00 0.00 H new ATOM 0 HG2 ARG A 45 16.559 8.020 -8.381 1.00 0.00 H new ATOM 0 HG3 ARG A 45 17.990 7.475 -7.529 1.00 0.00 H new ATOM 0 HD2 ARG A 45 18.518 9.607 -7.003 1.00 0.00 H new ATOM 0 HD3 ARG A 45 18.612 10.032 -8.701 1.00 0.00 H new ATOM 0 HE ARG A 45 16.372 10.787 -8.673 1.00 0.00 H new ATOM 0 HH11 ARG A 45 17.446 9.860 -5.427 1.00 0.00 H new ATOM 0 HH12 ARG A 45 15.952 10.426 -4.672 1.00 0.00 H new ATOM 0 HH21 ARG A 45 14.412 11.277 -7.730 1.00 0.00 H new ATOM 0 HH22 ARG A 45 14.241 11.224 -5.972 1.00 0.00 H new ATOM 683 N GLY A 46 19.817 8.568 -12.325 1.00 0.00 N ATOM 684 CA GLY A 46 20.792 8.079 -13.282 1.00 0.00 C ATOM 685 C GLY A 46 22.031 8.949 -13.224 1.00 0.00 C ATOM 686 O GLY A 46 21.912 10.167 -13.077 1.00 0.00 O ATOM 0 H GLY A 46 20.108 9.420 -11.845 1.00 0.00 H new ATOM 0 HA2 GLY A 46 21.050 7.044 -13.059 1.00 0.00 H new ATOM 0 HA3 GLY A 46 20.371 8.093 -14.287 1.00 0.00 H new ATOM 690 N TYR A 47 23.207 8.328 -13.333 1.00 0.00 N ATOM 691 CA TYR A 47 24.488 9.004 -13.164 1.00 0.00 C ATOM 692 C TYR A 47 25.542 8.283 -13.986 1.00 0.00 C ATOM 693 O TYR A 47 25.441 7.069 -14.178 1.00 0.00 O ATOM 694 CB TYR A 47 24.920 8.985 -11.691 1.00 0.00 C ATOM 695 CG TYR A 47 23.878 9.459 -10.696 1.00 0.00 C ATOM 696 CD1 TYR A 47 23.803 10.814 -10.323 1.00 0.00 C ATOM 697 CD2 TYR A 47 22.994 8.525 -10.128 1.00 0.00 C ATOM 698 CE1 TYR A 47 22.855 11.232 -9.372 1.00 0.00 C ATOM 699 CE2 TYR A 47 22.054 8.929 -9.166 1.00 0.00 C ATOM 700 CZ TYR A 47 21.983 10.286 -8.781 1.00 0.00 C ATOM 701 OH TYR A 47 21.097 10.659 -7.820 1.00 0.00 O ATOM 0 H TYR A 47 23.294 7.334 -13.543 1.00 0.00 H new ATOM 0 HA TYR A 47 24.383 10.038 -13.493 1.00 0.00 H new ATOM 0 HB2 TYR A 47 25.210 7.967 -11.429 1.00 0.00 H new ATOM 0 HB3 TYR A 47 25.808 9.607 -11.584 1.00 0.00 H new ATOM 0 HD1 TYR A 47 24.474 11.534 -10.768 1.00 0.00 H new ATOM 0 HD2 TYR A 47 23.038 7.490 -10.433 1.00 0.00 H new ATOM 0 HE1 TYR A 47 22.792 12.273 -9.093 1.00 0.00 H new ATOM 0 HE2 TYR A 47 21.388 8.204 -8.722 1.00 0.00 H new ATOM 0 HH TYR A 47 21.359 11.530 -7.454 1.00 0.00 H new ATOM 711 N LYS A 48 26.588 8.993 -14.420 1.00 0.00 N ATOM 712 CA LYS A 48 27.669 8.384 -15.193 1.00 0.00 C ATOM 713 C LYS A 48 28.367 7.266 -14.413 1.00 0.00 C ATOM 714 O LYS A 48 28.808 6.296 -15.028 1.00 0.00 O ATOM 715 CB LYS A 48 28.658 9.479 -15.636 1.00 0.00 C ATOM 716 CG LYS A 48 29.646 9.056 -16.736 1.00 0.00 C ATOM 717 CD LYS A 48 28.926 8.632 -18.025 1.00 0.00 C ATOM 718 CE LYS A 48 29.897 8.567 -19.209 1.00 0.00 C ATOM 719 NZ LYS A 48 29.204 8.154 -20.455 1.00 0.00 N ATOM 0 H LYS A 48 26.707 9.991 -14.248 1.00 0.00 H new ATOM 0 HA LYS A 48 27.245 7.914 -16.081 1.00 0.00 H new ATOM 0 HB2 LYS A 48 28.090 10.339 -15.990 1.00 0.00 H new ATOM 0 HB3 LYS A 48 29.226 9.808 -14.766 1.00 0.00 H new ATOM 0 HG2 LYS A 48 30.322 9.883 -16.954 1.00 0.00 H new ATOM 0 HG3 LYS A 48 30.259 8.230 -16.375 1.00 0.00 H new ATOM 0 HD2 LYS A 48 28.460 7.657 -17.880 1.00 0.00 H new ATOM 0 HD3 LYS A 48 28.126 9.338 -18.246 1.00 0.00 H new ATOM 0 HE2 LYS A 48 30.361 9.542 -19.355 1.00 0.00 H new ATOM 0 HE3 LYS A 48 30.699 7.863 -18.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 29.756 8.467 -21.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 29.111 7.118 -20.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 28.259 8.587 -20.486 1.00 0.00 H new ATOM 733 N TRP A 49 28.455 7.370 -13.079 1.00 0.00 N ATOM 734 CA TRP A 49 29.078 6.331 -12.263 1.00 0.00 C ATOM 735 C TRP A 49 28.292 5.014 -12.293 1.00 0.00 C ATOM 736 O TRP A 49 28.906 3.954 -12.152 1.00 0.00 O ATOM 737 CB TRP A 49 29.355 6.825 -10.831 1.00 0.00 C ATOM 738 CG TRP A 49 28.262 7.525 -10.067 1.00 0.00 C ATOM 739 CD1 TRP A 49 28.245 8.845 -9.774 1.00 0.00 C ATOM 740 CD2 TRP A 49 27.066 6.974 -9.424 1.00 0.00 C ATOM 741 NE1 TRP A 49 27.144 9.146 -9.000 1.00 0.00 N ATOM 742 CE2 TRP A 49 26.375 8.030 -8.754 1.00 0.00 C ATOM 743 CE3 TRP A 49 26.489 5.691 -9.333 1.00 0.00 C ATOM 744 CZ2 TRP A 49 25.173 7.823 -8.059 1.00 0.00 C ATOM 745 CZ3 TRP A 49 25.254 5.486 -8.692 1.00 0.00 C ATOM 746 CH2 TRP A 49 24.582 6.548 -8.067 1.00 0.00 C ATOM 0 H TRP A 49 28.101 8.165 -12.547 1.00 0.00 H new ATOM 0 HA TRP A 49 30.046 6.110 -12.712 1.00 0.00 H new ATOM 0 HB2 TRP A 49 29.666 5.962 -10.242 1.00 0.00 H new ATOM 0 HB3 TRP A 49 30.207 7.503 -10.878 1.00 0.00 H new ATOM 0 HD1 TRP A 49 28.986 9.560 -10.099 1.00 0.00 H new ATOM 0 HE1 TRP A 49 26.926 10.080 -8.653 1.00 0.00 H new ATOM 0 HE3 TRP A 49 27.007 4.847 -9.765 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 24.707 8.636 -7.523 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 24.817 4.498 -8.681 1.00 0.00 H new ATOM 0 HH2 TRP A 49 23.623 6.387 -7.598 1.00 0.00 H new ATOM 757 N ALA A 50 26.970 5.038 -12.508 1.00 0.00 N ATOM 758 CA ALA A 50 26.186 3.826 -12.684 1.00 0.00 C ATOM 759 C ALA A 50 26.260 3.400 -14.148 1.00 0.00 C ATOM 760 O ALA A 50 25.333 3.615 -14.929 1.00 0.00 O ATOM 761 CB ALA A 50 24.750 4.007 -12.202 1.00 0.00 C ATOM 0 H ALA A 50 26.424 5.898 -12.563 1.00 0.00 H new ATOM 0 HA ALA A 50 26.604 3.031 -12.067 1.00 0.00 H new ATOM 0 HB1 ALA A 50 24.197 3.080 -12.350 1.00 0.00 H new ATOM 0 HB2 ALA A 50 24.751 4.263 -11.143 1.00 0.00 H new ATOM 0 HB3 ALA A 50 24.274 4.808 -12.768 1.00 0.00 H new ATOM 767 N GLU A 51 27.381 2.784 -14.522 1.00 0.00 N ATOM 768 CA GLU A 51 27.584 2.221 -15.857 1.00 0.00 C ATOM 769 C GLU A 51 26.633 1.041 -16.139 1.00 0.00 C ATOM 770 O GLU A 51 26.612 0.521 -17.255 1.00 0.00 O ATOM 771 CB GLU A 51 29.048 1.774 -16.023 1.00 0.00 C ATOM 772 CG GLU A 51 30.046 2.928 -15.861 1.00 0.00 C ATOM 773 CD GLU A 51 31.484 2.479 -16.175 1.00 0.00 C ATOM 774 OE1 GLU A 51 32.206 2.034 -15.254 1.00 0.00 O ATOM 775 OE2 GLU A 51 31.918 2.583 -17.345 1.00 0.00 O ATOM 0 H GLU A 51 28.181 2.661 -13.901 1.00 0.00 H new ATOM 0 HA GLU A 51 27.357 3.003 -16.582 1.00 0.00 H new ATOM 0 HB2 GLU A 51 29.272 1.001 -15.288 1.00 0.00 H new ATOM 0 HB3 GLU A 51 29.176 1.325 -17.008 1.00 0.00 H new ATOM 0 HG2 GLU A 51 29.767 3.747 -16.523 1.00 0.00 H new ATOM 0 HG3 GLU A 51 29.998 3.312 -14.842 1.00 0.00 H new ATOM 782 N TYR A 52 25.849 0.603 -15.147 1.00 0.00 N ATOM 783 CA TYR A 52 24.832 -0.431 -15.252 1.00 0.00 C ATOM 784 C TYR A 52 23.685 -0.044 -14.316 1.00 0.00 C ATOM 785 O TYR A 52 23.916 0.431 -13.204 1.00 0.00 O ATOM 786 CB TYR A 52 25.390 -1.830 -14.926 1.00 0.00 C ATOM 787 CG TYR A 52 26.495 -1.894 -13.885 1.00 0.00 C ATOM 788 CD1 TYR A 52 27.803 -1.528 -14.250 1.00 0.00 C ATOM 789 CD2 TYR A 52 26.230 -2.335 -12.577 1.00 0.00 C ATOM 790 CE1 TYR A 52 28.844 -1.576 -13.308 1.00 0.00 C ATOM 791 CE2 TYR A 52 27.268 -2.401 -11.629 1.00 0.00 C ATOM 792 CZ TYR A 52 28.582 -2.014 -11.990 1.00 0.00 C ATOM 793 OH TYR A 52 29.598 -2.063 -11.083 1.00 0.00 O ATOM 0 H TYR A 52 25.916 0.985 -14.204 1.00 0.00 H new ATOM 0 HA TYR A 52 24.474 -0.495 -16.280 1.00 0.00 H new ATOM 0 HB2 TYR A 52 24.565 -2.456 -14.586 1.00 0.00 H new ATOM 0 HB3 TYR A 52 25.765 -2.271 -15.849 1.00 0.00 H new ATOM 0 HD1 TYR A 52 28.008 -1.208 -15.261 1.00 0.00 H new ATOM 0 HD2 TYR A 52 25.227 -2.624 -12.299 1.00 0.00 H new ATOM 0 HE1 TYR A 52 29.843 -1.279 -13.590 1.00 0.00 H new ATOM 0 HE2 TYR A 52 27.063 -2.747 -10.627 1.00 0.00 H new ATOM 0 HH TYR A 52 29.254 -2.384 -10.223 1.00 0.00 H new ATOM 803 N HIS A 53 22.445 -0.260 -14.763 1.00 0.00 N ATOM 804 CA HIS A 53 21.223 0.159 -14.066 1.00 0.00 C ATOM 805 C HIS A 53 21.093 -0.514 -12.697 1.00 0.00 C ATOM 806 O HIS A 53 20.555 0.077 -11.760 1.00 0.00 O ATOM 807 CB HIS A 53 19.975 -0.159 -14.913 1.00 0.00 C ATOM 808 CG HIS A 53 20.159 0.073 -16.393 1.00 0.00 C ATOM 809 ND1 HIS A 53 19.817 1.196 -17.111 1.00 0.00 N ATOM 810 CD2 HIS A 53 20.755 -0.801 -17.261 1.00 0.00 C ATOM 811 CE1 HIS A 53 20.225 1.005 -18.378 1.00 0.00 C ATOM 812 NE2 HIS A 53 20.800 -0.206 -18.521 1.00 0.00 N ATOM 0 H HIS A 53 22.257 -0.743 -15.641 1.00 0.00 H new ATOM 0 HA HIS A 53 21.295 1.236 -13.915 1.00 0.00 H new ATOM 0 HB2 HIS A 53 19.695 -1.200 -14.751 1.00 0.00 H new ATOM 0 HB3 HIS A 53 19.145 0.453 -14.561 1.00 0.00 H new ATOM 0 HD1 HIS A 53 19.341 2.022 -16.748 1.00 0.00 H new ATOM 0 HD2 HIS A 53 21.127 -1.784 -17.012 1.00 0.00 H new ATOM 0 HE1 HIS A 53 20.108 1.725 -19.174 1.00 0.00 H new ATOM 820 N ALA A 54 21.610 -1.739 -12.561 1.00 0.00 N ATOM 821 CA ALA A 54 21.623 -2.444 -11.285 1.00 0.00 C ATOM 822 C ALA A 54 22.391 -1.662 -10.212 1.00 0.00 C ATOM 823 O ALA A 54 22.049 -1.772 -9.035 1.00 0.00 O ATOM 824 CB ALA A 54 22.212 -3.847 -11.469 1.00 0.00 C ATOM 0 H ALA A 54 22.028 -2.263 -13.330 1.00 0.00 H new ATOM 0 HA ALA A 54 20.594 -2.536 -10.938 1.00 0.00 H new ATOM 0 HB1 ALA A 54 22.218 -4.367 -10.511 1.00 0.00 H new ATOM 0 HB2 ALA A 54 21.605 -4.406 -12.182 1.00 0.00 H new ATOM 0 HB3 ALA A 54 23.232 -3.767 -11.845 1.00 0.00 H new ATOM 830 N ASP A 55 23.396 -0.860 -10.594 1.00 0.00 N ATOM 831 CA ASP A 55 24.182 -0.091 -9.631 1.00 0.00 C ATOM 832 C ASP A 55 23.312 0.965 -8.954 1.00 0.00 C ATOM 833 O ASP A 55 23.292 1.057 -7.726 1.00 0.00 O ATOM 834 CB ASP A 55 25.372 0.606 -10.299 1.00 0.00 C ATOM 835 CG ASP A 55 26.371 1.077 -9.231 1.00 0.00 C ATOM 836 OD1 ASP A 55 27.041 0.220 -8.608 1.00 0.00 O ATOM 837 OD2 ASP A 55 26.504 2.299 -9.026 1.00 0.00 O ATOM 0 H ASP A 55 23.680 -0.730 -11.565 1.00 0.00 H new ATOM 0 HA ASP A 55 24.558 -0.797 -8.890 1.00 0.00 H new ATOM 0 HB2 ASP A 55 25.863 -0.078 -10.992 1.00 0.00 H new ATOM 0 HB3 ASP A 55 25.024 1.457 -10.884 1.00 0.00 H new ATOM 842 N ILE A 56 22.548 1.725 -9.749 1.00 0.00 N ATOM 843 CA ILE A 56 21.615 2.718 -9.230 1.00 0.00 C ATOM 844 C ILE A 56 20.462 2.026 -8.514 1.00 0.00 C ATOM 845 O ILE A 56 20.085 2.508 -7.453 1.00 0.00 O ATOM 846 CB ILE A 56 21.090 3.733 -10.284 1.00 0.00 C ATOM 847 CG1 ILE A 56 21.118 3.242 -11.753 1.00 0.00 C ATOM 848 CG2 ILE A 56 21.781 5.085 -10.058 1.00 0.00 C ATOM 849 CD1 ILE A 56 20.941 4.320 -12.821 1.00 0.00 C ATOM 0 H ILE A 56 22.563 1.665 -10.767 1.00 0.00 H new ATOM 0 HA ILE A 56 22.184 3.322 -8.524 1.00 0.00 H new ATOM 0 HB ILE A 56 20.019 3.851 -10.120 1.00 0.00 H new ATOM 0 HG12 ILE A 56 22.068 2.737 -11.929 1.00 0.00 H new ATOM 0 HG13 ILE A 56 20.332 2.498 -11.882 1.00 0.00 H new ATOM 0 HG21 ILE A 56 21.420 5.805 -10.792 1.00 0.00 H new ATOM 0 HG22 ILE A 56 21.555 5.446 -9.054 1.00 0.00 H new ATOM 0 HG23 ILE A 56 22.859 4.965 -10.167 1.00 0.00 H new ATOM 0 HD11 ILE A 56 20.977 3.862 -13.810 1.00 0.00 H new ATOM 0 HD12 ILE A 56 19.978 4.813 -12.685 1.00 0.00 H new ATOM 0 HD13 ILE A 56 21.741 5.055 -12.732 1.00 0.00 H new ATOM 861 N TYR A 57 19.917 0.913 -9.019 1.00 0.00 N ATOM 862 CA TYR A 57 18.826 0.249 -8.310 1.00 0.00 C ATOM 863 C TYR A 57 19.273 -0.136 -6.896 1.00 0.00 C ATOM 864 O TYR A 57 18.566 0.169 -5.936 1.00 0.00 O ATOM 865 CB TYR A 57 18.299 -0.973 -9.075 1.00 0.00 C ATOM 866 CG TYR A 57 17.255 -1.751 -8.286 1.00 0.00 C ATOM 867 CD1 TYR A 57 16.118 -1.092 -7.772 1.00 0.00 C ATOM 868 CD2 TYR A 57 17.458 -3.113 -7.991 1.00 0.00 C ATOM 869 CE1 TYR A 57 15.207 -1.776 -6.950 1.00 0.00 C ATOM 870 CE2 TYR A 57 16.545 -3.808 -7.177 1.00 0.00 C ATOM 871 CZ TYR A 57 15.422 -3.138 -6.637 1.00 0.00 C ATOM 872 OH TYR A 57 14.578 -3.815 -5.806 1.00 0.00 O ATOM 0 H TYR A 57 20.205 0.467 -9.890 1.00 0.00 H new ATOM 0 HA TYR A 57 17.998 0.955 -8.238 1.00 0.00 H new ATOM 0 HB2 TYR A 57 17.866 -0.646 -10.020 1.00 0.00 H new ATOM 0 HB3 TYR A 57 19.132 -1.633 -9.317 1.00 0.00 H new ATOM 0 HD1 TYR A 57 15.947 -0.053 -8.013 1.00 0.00 H new ATOM 0 HD2 TYR A 57 18.319 -3.627 -8.392 1.00 0.00 H new ATOM 0 HE1 TYR A 57 14.342 -1.262 -6.557 1.00 0.00 H new ATOM 0 HE2 TYR A 57 16.702 -4.855 -6.964 1.00 0.00 H new ATOM 0 HH TYR A 57 13.874 -3.210 -5.491 1.00 0.00 H new ATOM 882 N ASP A 58 20.456 -0.741 -6.749 1.00 0.00 N ATOM 883 CA ASP A 58 20.975 -1.142 -5.447 1.00 0.00 C ATOM 884 C ASP A 58 21.262 0.072 -4.561 1.00 0.00 C ATOM 885 O ASP A 58 20.804 0.120 -3.419 1.00 0.00 O ATOM 886 CB ASP A 58 22.243 -1.982 -5.608 1.00 0.00 C ATOM 887 CG ASP A 58 22.819 -2.355 -4.232 1.00 0.00 C ATOM 888 OD1 ASP A 58 22.260 -3.252 -3.563 1.00 0.00 O ATOM 889 OD2 ASP A 58 23.845 -1.770 -3.820 1.00 0.00 O ATOM 0 H ASP A 58 21.075 -0.964 -7.529 1.00 0.00 H new ATOM 0 HA ASP A 58 20.208 -1.745 -4.960 1.00 0.00 H new ATOM 0 HB2 ASP A 58 22.018 -2.887 -6.172 1.00 0.00 H new ATOM 0 HB3 ASP A 58 22.985 -1.426 -6.181 1.00 0.00 H new ATOM 894 N LYS A 59 21.981 1.072 -5.084 1.00 0.00 N ATOM 895 CA LYS A 59 22.361 2.267 -4.328 1.00 0.00 C ATOM 896 C LYS A 59 21.127 3.026 -3.851 1.00 0.00 C ATOM 897 O LYS A 59 21.024 3.365 -2.671 1.00 0.00 O ATOM 898 CB LYS A 59 23.275 3.134 -5.204 1.00 0.00 C ATOM 899 CG LYS A 59 23.615 4.497 -4.575 1.00 0.00 C ATOM 900 CD LYS A 59 25.036 4.911 -4.964 1.00 0.00 C ATOM 901 CE LYS A 59 25.317 6.367 -4.568 1.00 0.00 C ATOM 902 NZ LYS A 59 26.650 6.822 -5.037 1.00 0.00 N ATOM 0 H LYS A 59 22.316 1.073 -6.047 1.00 0.00 H new ATOM 0 HA LYS A 59 22.909 1.981 -3.430 1.00 0.00 H new ATOM 0 HB2 LYS A 59 24.200 2.591 -5.398 1.00 0.00 H new ATOM 0 HB3 LYS A 59 22.793 3.298 -6.168 1.00 0.00 H new ATOM 0 HG2 LYS A 59 22.903 5.250 -4.911 1.00 0.00 H new ATOM 0 HG3 LYS A 59 23.528 4.438 -3.490 1.00 0.00 H new ATOM 0 HD2 LYS A 59 25.756 4.253 -4.477 1.00 0.00 H new ATOM 0 HD3 LYS A 59 25.171 4.791 -6.039 1.00 0.00 H new ATOM 0 HE2 LYS A 59 24.545 7.012 -4.987 1.00 0.00 H new ATOM 0 HE3 LYS A 59 25.261 6.465 -3.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 27.015 7.551 -4.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 27.306 6.015 -5.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 26.564 7.219 -5.994 1.00 0.00 H new ATOM 916 N VAL A 60 20.186 3.284 -4.755 1.00 0.00 N ATOM 917 CA VAL A 60 19.004 4.070 -4.458 1.00 0.00 C ATOM 918 C VAL A 60 18.113 3.283 -3.504 1.00 0.00 C ATOM 919 O VAL A 60 17.676 3.855 -2.509 1.00 0.00 O ATOM 920 CB VAL A 60 18.299 4.504 -5.751 1.00 0.00 C ATOM 921 CG1 VAL A 60 17.051 5.336 -5.416 1.00 0.00 C ATOM 922 CG2 VAL A 60 19.247 5.360 -6.614 1.00 0.00 C ATOM 0 H VAL A 60 20.227 2.949 -5.718 1.00 0.00 H new ATOM 0 HA VAL A 60 19.277 4.997 -3.955 1.00 0.00 H new ATOM 0 HB VAL A 60 18.011 3.608 -6.301 1.00 0.00 H new ATOM 0 HG11 VAL A 60 16.557 5.639 -6.339 1.00 0.00 H new ATOM 0 HG12 VAL A 60 16.365 4.737 -4.817 1.00 0.00 H new ATOM 0 HG13 VAL A 60 17.345 6.222 -4.853 1.00 0.00 H new ATOM 0 HG21 VAL A 60 18.735 5.661 -7.528 1.00 0.00 H new ATOM 0 HG22 VAL A 60 19.545 6.247 -6.056 1.00 0.00 H new ATOM 0 HG23 VAL A 60 20.132 4.777 -6.869 1.00 0.00 H new ATOM 932 N SER A 61 17.891 1.983 -3.727 1.00 0.00 N ATOM 933 CA SER A 61 17.112 1.186 -2.788 1.00 0.00 C ATOM 934 C SER A 61 17.793 1.121 -1.420 1.00 0.00 C ATOM 935 O SER A 61 17.095 0.996 -0.419 1.00 0.00 O ATOM 936 CB SER A 61 16.853 -0.219 -3.332 1.00 0.00 C ATOM 937 OG SER A 61 16.237 -0.128 -4.596 1.00 0.00 O ATOM 0 H SER A 61 18.236 1.471 -4.539 1.00 0.00 H new ATOM 0 HA SER A 61 16.148 1.679 -2.662 1.00 0.00 H new ATOM 0 HB2 SER A 61 17.791 -0.768 -3.412 1.00 0.00 H new ATOM 0 HB3 SER A 61 16.216 -0.775 -2.644 1.00 0.00 H new ATOM 0 HG SER A 61 16.923 -0.024 -5.288 1.00 0.00 H new ATOM 943 N GLY A 62 19.123 1.225 -1.345 1.00 0.00 N ATOM 944 CA GLY A 62 19.846 1.341 -0.090 1.00 0.00 C ATOM 945 C GLY A 62 19.427 2.605 0.657 1.00 0.00 C ATOM 946 O GLY A 62 19.027 2.520 1.818 1.00 0.00 O ATOM 0 H GLY A 62 19.728 1.230 -2.166 1.00 0.00 H new ATOM 0 HA2 GLY A 62 19.653 0.465 0.529 1.00 0.00 H new ATOM 0 HA3 GLY A 62 20.919 1.365 -0.283 1.00 0.00 H new ATOM 950 N ASP A 63 19.456 3.768 -0.003 1.00 0.00 N ATOM 951 CA ASP A 63 19.038 5.023 0.624 1.00 0.00 C ATOM 952 C ASP A 63 17.554 4.989 0.977 1.00 0.00 C ATOM 953 O ASP A 63 17.198 5.317 2.106 1.00 0.00 O ATOM 954 CB ASP A 63 19.324 6.243 -0.257 1.00 0.00 C ATOM 955 CG ASP A 63 18.932 7.529 0.494 1.00 0.00 C ATOM 956 OD1 ASP A 63 19.777 8.048 1.257 1.00 0.00 O ATOM 957 OD2 ASP A 63 17.791 8.015 0.336 1.00 0.00 O ATOM 0 H ASP A 63 19.765 3.864 -0.970 1.00 0.00 H new ATOM 0 HA ASP A 63 19.628 5.121 1.535 1.00 0.00 H new ATOM 0 HB2 ASP A 63 20.381 6.273 -0.522 1.00 0.00 H new ATOM 0 HB3 ASP A 63 18.764 6.170 -1.189 1.00 0.00 H new ATOM 962 N MET A 64 16.689 4.533 0.068 1.00 0.00 N ATOM 963 CA MET A 64 15.264 4.422 0.360 1.00 0.00 C ATOM 964 C MET A 64 15.017 3.521 1.578 1.00 0.00 C ATOM 965 O MET A 64 14.261 3.899 2.469 1.00 0.00 O ATOM 966 CB MET A 64 14.509 3.894 -0.864 1.00 0.00 C ATOM 967 CG MET A 64 14.539 4.787 -2.111 1.00 0.00 C ATOM 968 SD MET A 64 13.705 6.385 -1.931 1.00 0.00 S ATOM 969 CE MET A 64 15.134 7.424 -1.539 1.00 0.00 C ATOM 0 H MET A 64 16.952 4.237 -0.872 1.00 0.00 H new ATOM 0 HA MET A 64 14.888 5.417 0.599 1.00 0.00 H new ATOM 0 HB2 MET A 64 14.922 2.921 -1.129 1.00 0.00 H new ATOM 0 HB3 MET A 64 13.468 3.733 -0.582 1.00 0.00 H new ATOM 0 HG2 MET A 64 15.578 4.966 -2.386 1.00 0.00 H new ATOM 0 HG3 MET A 64 14.079 4.246 -2.938 1.00 0.00 H new ATOM 0 HE1 MET A 64 14.791 8.397 -1.187 1.00 0.00 H new ATOM 0 HE2 MET A 64 15.729 6.946 -0.761 1.00 0.00 H new ATOM 0 HE3 MET A 64 15.744 7.556 -2.433 1.00 0.00 H new ATOM 979 N GLN A 65 15.670 2.361 1.678 1.00 0.00 N ATOM 980 CA GLN A 65 15.527 1.470 2.824 1.00 0.00 C ATOM 981 C GLN A 65 16.112 2.085 4.100 1.00 0.00 C ATOM 982 O GLN A 65 15.576 1.844 5.181 1.00 0.00 O ATOM 983 CB GLN A 65 16.210 0.132 2.519 1.00 0.00 C ATOM 984 CG GLN A 65 15.355 -0.783 1.629 1.00 0.00 C ATOM 985 CD GLN A 65 16.143 -2.007 1.166 1.00 0.00 C ATOM 986 OE1 GLN A 65 15.911 -3.131 1.605 1.00 0.00 O ATOM 987 NE2 GLN A 65 17.101 -1.810 0.275 1.00 0.00 N ATOM 0 H GLN A 65 16.312 2.016 0.965 1.00 0.00 H new ATOM 0 HA GLN A 65 14.463 1.310 2.999 1.00 0.00 H new ATOM 0 HB2 GLN A 65 17.165 0.320 2.028 1.00 0.00 H new ATOM 0 HB3 GLN A 65 16.429 -0.381 3.456 1.00 0.00 H new ATOM 0 HG2 GLN A 65 14.471 -1.105 2.179 1.00 0.00 H new ATOM 0 HG3 GLN A 65 15.005 -0.224 0.761 1.00 0.00 H new ATOM 0 HE21 GLN A 65 17.282 -0.871 -0.080 1.00 0.00 H new ATOM 0 HE22 GLN A 65 17.659 -2.597 -0.057 1.00 0.00 H new ATOM 996 N LYS A 66 17.167 2.901 4.008 1.00 0.00 N ATOM 997 CA LYS A 66 17.679 3.680 5.131 1.00 0.00 C ATOM 998 C LYS A 66 16.637 4.699 5.602 1.00 0.00 C ATOM 999 O LYS A 66 16.493 4.891 6.812 1.00 0.00 O ATOM 1000 CB LYS A 66 19.013 4.301 4.692 1.00 0.00 C ATOM 1001 CG LYS A 66 19.633 5.285 5.688 1.00 0.00 C ATOM 1002 CD LYS A 66 21.032 5.712 5.214 1.00 0.00 C ATOM 1003 CE LYS A 66 21.062 6.486 3.884 1.00 0.00 C ATOM 1004 NZ LYS A 66 20.362 7.792 3.936 1.00 0.00 N ATOM 0 H LYS A 66 17.691 3.038 3.144 1.00 0.00 H new ATOM 0 HA LYS A 66 17.868 3.055 6.003 1.00 0.00 H new ATOM 0 HB2 LYS A 66 19.726 3.498 4.508 1.00 0.00 H new ATOM 0 HB3 LYS A 66 18.861 4.816 3.744 1.00 0.00 H new ATOM 0 HG2 LYS A 66 18.993 6.161 5.790 1.00 0.00 H new ATOM 0 HG3 LYS A 66 19.700 4.823 6.673 1.00 0.00 H new ATOM 0 HD2 LYS A 66 21.488 6.331 5.987 1.00 0.00 H new ATOM 0 HD3 LYS A 66 21.652 4.821 5.112 1.00 0.00 H new ATOM 0 HE2 LYS A 66 22.100 6.652 3.594 1.00 0.00 H new ATOM 0 HE3 LYS A 66 20.608 5.872 3.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 20.275 8.178 2.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 19.414 7.662 4.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 20.905 8.454 4.526 1.00 0.00 H new ATOM 1018 N GLN A 67 15.874 5.321 4.694 1.00 0.00 N ATOM 1019 CA GLN A 67 14.717 6.135 5.080 1.00 0.00 C ATOM 1020 C GLN A 67 13.620 5.246 5.685 1.00 0.00 C ATOM 1021 O GLN A 67 12.951 5.661 6.627 1.00 0.00 O ATOM 1022 CB GLN A 67 14.183 6.984 3.909 1.00 0.00 C ATOM 1023 CG GLN A 67 15.266 7.911 3.325 1.00 0.00 C ATOM 1024 CD GLN A 67 14.726 8.978 2.370 1.00 0.00 C ATOM 1025 OE1 GLN A 67 13.706 9.613 2.623 1.00 0.00 O ATOM 1026 NE2 GLN A 67 15.410 9.232 1.264 1.00 0.00 N ATOM 0 H GLN A 67 16.038 5.275 3.688 1.00 0.00 H new ATOM 0 HA GLN A 67 15.046 6.842 5.842 1.00 0.00 H new ATOM 0 HB2 GLN A 67 13.809 6.325 3.125 1.00 0.00 H new ATOM 0 HB3 GLN A 67 13.339 7.583 4.251 1.00 0.00 H new ATOM 0 HG2 GLN A 67 15.788 8.404 4.145 1.00 0.00 H new ATOM 0 HG3 GLN A 67 16.002 7.305 2.797 1.00 0.00 H new ATOM 0 HE21 GLN A 67 16.257 8.703 1.056 1.00 0.00 H new ATOM 0 HE22 GLN A 67 15.089 9.956 0.621 1.00 0.00 H new ATOM 1035 N GLY A 68 13.465 4.018 5.189 1.00 0.00 N ATOM 1036 CA GLY A 68 12.633 2.949 5.749 1.00 0.00 C ATOM 1037 C GLY A 68 11.822 2.197 4.685 1.00 0.00 C ATOM 1038 O GLY A 68 11.147 1.222 5.008 1.00 0.00 O ATOM 0 H GLY A 68 13.943 3.725 4.337 1.00 0.00 H new ATOM 0 HA2 GLY A 68 13.270 2.241 6.279 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.950 3.375 6.484 1.00 0.00 H new ATOM 1042 N CYS A 69 11.854 2.665 3.435 1.00 0.00 N ATOM 1043 CA CYS A 69 11.003 2.227 2.336 1.00 0.00 C ATOM 1044 C CYS A 69 11.297 0.789 1.886 1.00 0.00 C ATOM 1045 O CYS A 69 12.242 0.145 2.339 1.00 0.00 O ATOM 1046 CB CYS A 69 11.263 3.153 1.143 1.00 0.00 C ATOM 1047 SG CYS A 69 11.111 4.905 1.587 1.00 0.00 S ATOM 0 H CYS A 69 12.508 3.395 3.152 1.00 0.00 H new ATOM 0 HA CYS A 69 9.970 2.262 2.683 1.00 0.00 H new ATOM 0 HB2 CYS A 69 12.263 2.965 0.751 1.00 0.00 H new ATOM 0 HB3 CYS A 69 10.558 2.920 0.345 1.00 0.00 H new ATOM 0 HG CYS A 69 11.344 5.640 0.540 1.00 0.00 H new ATOM 1053 N ASP A 70 10.520 0.335 0.904 1.00 0.00 N ATOM 1054 CA ASP A 70 10.724 -0.888 0.132 1.00 0.00 C ATOM 1055 C ASP A 70 10.545 -0.448 -1.321 1.00 0.00 C ATOM 1056 O ASP A 70 9.720 0.441 -1.577 1.00 0.00 O ATOM 1057 CB ASP A 70 9.725 -1.976 0.537 1.00 0.00 C ATOM 1058 CG ASP A 70 9.897 -3.239 -0.324 1.00 0.00 C ATOM 1059 OD1 ASP A 70 11.042 -3.716 -0.488 1.00 0.00 O ATOM 1060 OD2 ASP A 70 8.881 -3.777 -0.817 1.00 0.00 O ATOM 0 H ASP A 70 9.684 0.840 0.610 1.00 0.00 H new ATOM 0 HA ASP A 70 11.704 -1.335 0.302 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.864 -2.228 1.588 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.708 -1.597 0.432 1.00 0.00 H new ATOM 1065 N CYS A 71 11.332 -0.982 -2.260 1.00 0.00 N ATOM 1066 CA CYS A 71 11.398 -0.450 -3.621 1.00 0.00 C ATOM 1067 C CYS A 71 11.617 -1.524 -4.687 1.00 0.00 C ATOM 1068 O CYS A 71 12.063 -2.632 -4.384 1.00 0.00 O ATOM 1069 CB CYS A 71 12.555 0.557 -3.714 1.00 0.00 C ATOM 1070 SG CYS A 71 12.464 1.816 -2.415 1.00 0.00 S ATOM 0 H CYS A 71 11.936 -1.788 -2.099 1.00 0.00 H new ATOM 0 HA CYS A 71 10.432 0.016 -3.817 1.00 0.00 H new ATOM 0 HB2 CYS A 71 13.504 0.027 -3.639 1.00 0.00 H new ATOM 0 HB3 CYS A 71 12.537 1.041 -4.690 1.00 0.00 H new ATOM 0 HG CYS A 71 13.284 1.508 -1.454 1.00 0.00 H new ATOM 1076 N GLU A 72 11.366 -1.169 -5.952 1.00 0.00 N ATOM 1077 CA GLU A 72 11.446 -2.062 -7.096 1.00 0.00 C ATOM 1078 C GLU A 72 11.790 -1.212 -8.321 1.00 0.00 C ATOM 1079 O GLU A 72 11.118 -0.211 -8.568 1.00 0.00 O ATOM 1080 CB GLU A 72 10.070 -2.734 -7.252 1.00 0.00 C ATOM 1081 CG GLU A 72 9.920 -3.575 -8.522 1.00 0.00 C ATOM 1082 CD GLU A 72 10.783 -4.849 -8.498 1.00 0.00 C ATOM 1083 OE1 GLU A 72 12.023 -4.754 -8.625 1.00 0.00 O ATOM 1084 OE2 GLU A 72 10.221 -5.962 -8.362 1.00 0.00 O ATOM 0 H GLU A 72 11.093 -0.220 -6.208 1.00 0.00 H new ATOM 0 HA GLU A 72 12.207 -2.833 -6.975 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.889 -3.370 -6.386 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.300 -1.963 -7.248 1.00 0.00 H new ATOM 0 HG2 GLU A 72 8.873 -3.853 -8.647 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.195 -2.971 -9.387 1.00 0.00 H new ATOM 1091 N CYS A 73 12.816 -1.580 -9.091 1.00 0.00 N ATOM 1092 CA CYS A 73 13.080 -0.966 -10.385 1.00 0.00 C ATOM 1093 C CYS A 73 11.996 -1.450 -11.353 1.00 0.00 C ATOM 1094 O CYS A 73 11.943 -2.635 -11.695 1.00 0.00 O ATOM 1095 CB CYS A 73 14.500 -1.298 -10.883 1.00 0.00 C ATOM 1096 SG CYS A 73 14.897 -3.057 -10.660 1.00 0.00 S ATOM 0 H CYS A 73 13.482 -2.309 -8.833 1.00 0.00 H new ATOM 0 HA CYS A 73 13.043 0.121 -10.309 1.00 0.00 H new ATOM 0 HB2 CYS A 73 14.586 -1.037 -11.938 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.226 -0.690 -10.344 1.00 0.00 H new ATOM 0 HG CYS A 73 15.296 -3.559 -11.791 1.00 0.00 H new ATOM 1102 N LEU A 74 11.119 -0.543 -11.791 1.00 0.00 N ATOM 1103 CA LEU A 74 10.089 -0.854 -12.779 1.00 0.00 C ATOM 1104 C LEU A 74 10.727 -1.135 -14.145 1.00 0.00 C ATOM 1105 O LEU A 74 10.167 -1.881 -14.947 1.00 0.00 O ATOM 1106 CB LEU A 74 9.088 0.308 -12.892 1.00 0.00 C ATOM 1107 CG LEU A 74 8.299 0.618 -11.604 1.00 0.00 C ATOM 1108 CD1 LEU A 74 7.280 1.721 -11.898 1.00 0.00 C ATOM 1109 CD2 LEU A 74 7.564 -0.606 -11.038 1.00 0.00 C ATOM 0 H LEU A 74 11.105 0.425 -11.470 1.00 0.00 H new ATOM 0 HA LEU A 74 9.555 -1.746 -12.452 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.629 1.205 -13.193 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.379 0.081 -13.688 1.00 0.00 H new ATOM 0 HG LEU A 74 9.021 0.934 -10.852 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.717 1.947 -10.992 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.801 2.617 -12.235 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.595 1.385 -12.677 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.028 -0.322 -10.132 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.855 -0.979 -11.777 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.287 -1.387 -10.802 1.00 0.00 H new ATOM 1121 N GLY A 75 11.896 -0.549 -14.400 1.00 0.00 N ATOM 1122 CA GLY A 75 12.697 -0.728 -15.596 1.00 0.00 C ATOM 1123 C GLY A 75 13.781 0.341 -15.601 1.00 0.00 C ATOM 1124 O GLY A 75 13.976 1.045 -14.602 1.00 0.00 O ATOM 0 H GLY A 75 12.327 0.097 -13.738 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.143 -1.723 -15.611 1.00 0.00 H new ATOM 0 HA3 GLY A 75 12.075 -0.644 -16.487 1.00 0.00 H new ATOM 1128 N GLY A 76 14.448 0.517 -16.735 1.00 0.00 N ATOM 1129 CA GLY A 76 15.386 1.609 -16.936 1.00 0.00 C ATOM 1130 C GLY A 76 15.675 1.779 -18.418 1.00 0.00 C ATOM 1131 O GLY A 76 15.005 1.175 -19.263 1.00 0.00 O ATOM 0 H GLY A 76 14.351 -0.098 -17.543 1.00 0.00 H new ATOM 0 HA2 GLY A 76 14.974 2.533 -16.529 1.00 0.00 H new ATOM 0 HA3 GLY A 76 16.312 1.408 -16.397 1.00 0.00 H new ATOM 1135 N GLY A 77 16.682 2.590 -18.721 1.00 0.00 N ATOM 1136 CA GLY A 77 17.041 2.976 -20.074 1.00 0.00 C ATOM 1137 C GLY A 77 18.280 3.860 -20.028 1.00 0.00 C ATOM 1138 O GLY A 77 19.001 3.877 -19.022 1.00 0.00 O ATOM 0 H GLY A 77 17.285 3.006 -18.011 1.00 0.00 H new ATOM 0 HA2 GLY A 77 17.233 2.090 -20.679 1.00 0.00 H new ATOM 0 HA3 GLY A 77 16.215 3.510 -20.544 1.00 0.00 H new ATOM 1142 N ARG A 78 18.525 4.616 -21.094 1.00 0.00 N ATOM 1143 CA ARG A 78 19.663 5.517 -21.201 1.00 0.00 C ATOM 1144 C ARG A 78 19.134 6.922 -21.454 1.00 0.00 C ATOM 1145 O ARG A 78 18.005 7.098 -21.923 1.00 0.00 O ATOM 1146 CB ARG A 78 20.625 4.994 -22.286 1.00 0.00 C ATOM 1147 CG ARG A 78 22.018 5.644 -22.222 1.00 0.00 C ATOM 1148 CD ARG A 78 23.035 4.971 -23.147 1.00 0.00 C ATOM 1149 NE ARG A 78 22.662 5.104 -24.566 1.00 0.00 N ATOM 1150 CZ ARG A 78 22.507 4.113 -25.453 1.00 0.00 C ATOM 1151 NH1 ARG A 78 22.685 2.841 -25.117 1.00 0.00 N ATOM 1152 NH2 ARG A 78 22.163 4.416 -26.694 1.00 0.00 N ATOM 0 H ARG A 78 17.927 4.618 -21.920 1.00 0.00 H new ATOM 0 HA ARG A 78 20.246 5.558 -20.281 1.00 0.00 H new ATOM 0 HB2 ARG A 78 20.729 3.914 -22.181 1.00 0.00 H new ATOM 0 HB3 ARG A 78 20.190 5.178 -23.268 1.00 0.00 H new ATOM 0 HG2 ARG A 78 21.934 6.697 -22.489 1.00 0.00 H new ATOM 0 HG3 ARG A 78 22.385 5.603 -21.197 1.00 0.00 H new ATOM 0 HD2 ARG A 78 24.018 5.413 -22.988 1.00 0.00 H new ATOM 0 HD3 ARG A 78 23.115 3.915 -22.891 1.00 0.00 H new ATOM 0 HE ARG A 78 22.505 6.052 -24.909 1.00 0.00 H new ATOM 0 HH11 ARG A 78 22.947 2.598 -24.162 1.00 0.00 H new ATOM 0 HH12 ARG A 78 22.560 2.107 -25.814 1.00 0.00 H new ATOM 0 HH21 ARG A 78 22.021 5.390 -26.960 1.00 0.00 H new ATOM 0 HH22 ARG A 78 22.040 3.675 -27.384 1.00 0.00 H new ATOM 1166 N ILE A 79 19.944 7.917 -21.112 1.00 0.00 N ATOM 1167 CA ILE A 79 19.615 9.324 -21.208 1.00 0.00 C ATOM 1168 C ILE A 79 20.729 9.978 -22.020 1.00 0.00 C ATOM 1169 O ILE A 79 21.885 9.544 -21.995 1.00 0.00 O ATOM 1170 CB ILE A 79 19.401 9.925 -19.794 1.00 0.00 C ATOM 1171 CG1 ILE A 79 18.126 9.303 -19.177 1.00 0.00 C ATOM 1172 CG2 ILE A 79 19.268 11.460 -19.858 1.00 0.00 C ATOM 1173 CD1 ILE A 79 17.670 9.885 -17.831 1.00 0.00 C ATOM 0 H ILE A 79 20.882 7.754 -20.747 1.00 0.00 H new ATOM 0 HA ILE A 79 18.671 9.503 -21.722 1.00 0.00 H new ATOM 0 HB ILE A 79 20.267 9.694 -19.173 1.00 0.00 H new ATOM 0 HG12 ILE A 79 17.311 9.414 -19.892 1.00 0.00 H new ATOM 0 HG13 ILE A 79 18.294 8.234 -19.048 1.00 0.00 H new ATOM 0 HG21 ILE A 79 19.119 11.855 -18.853 1.00 0.00 H new ATOM 0 HG22 ILE A 79 20.176 11.886 -20.284 1.00 0.00 H new ATOM 0 HG23 ILE A 79 18.415 11.726 -20.482 1.00 0.00 H new ATOM 0 HD11 ILE A 79 16.768 9.371 -17.499 1.00 0.00 H new ATOM 0 HD12 ILE A 79 18.458 9.750 -17.090 1.00 0.00 H new ATOM 0 HD13 ILE A 79 17.459 10.948 -17.947 1.00 0.00 H new ATOM 1185 N SER A 80 20.368 11.000 -22.790 1.00 0.00 N ATOM 1186 CA SER A 80 21.257 11.771 -23.647 1.00 0.00 C ATOM 1187 C SER A 80 20.712 13.202 -23.748 1.00 0.00 C ATOM 1188 O SER A 80 19.573 13.464 -23.352 1.00 0.00 O ATOM 1189 CB SER A 80 21.367 11.080 -25.017 1.00 0.00 C ATOM 1190 OG SER A 80 21.847 9.750 -24.864 1.00 0.00 O ATOM 0 H SER A 80 19.403 11.327 -22.834 1.00 0.00 H new ATOM 0 HA SER A 80 22.264 11.823 -23.233 1.00 0.00 H new ATOM 0 HB2 SER A 80 20.392 11.068 -25.505 1.00 0.00 H new ATOM 0 HB3 SER A 80 22.040 11.644 -25.663 1.00 0.00 H new ATOM 0 HG SER A 80 22.051 9.582 -23.920 1.00 0.00 H new ATOM 1196 N HIS A 81 21.529 14.133 -24.244 1.00 0.00 N ATOM 1197 CA HIS A 81 21.243 15.563 -24.304 1.00 0.00 C ATOM 1198 C HIS A 81 21.543 16.063 -25.720 1.00 0.00 C ATOM 1199 O HIS A 81 22.438 15.535 -26.389 1.00 0.00 O ATOM 1200 CB HIS A 81 22.120 16.278 -23.255 1.00 0.00 C ATOM 1201 CG HIS A 81 22.281 17.768 -23.460 1.00 0.00 C ATOM 1202 ND1 HIS A 81 23.427 18.393 -23.902 1.00 0.00 N ATOM 1203 CD2 HIS A 81 21.335 18.745 -23.284 1.00 0.00 C ATOM 1204 CE1 HIS A 81 23.181 19.709 -23.984 1.00 0.00 C ATOM 1205 NE2 HIS A 81 21.915 19.978 -23.615 1.00 0.00 N ATOM 0 H HIS A 81 22.444 13.899 -24.630 1.00 0.00 H new ATOM 0 HA HIS A 81 20.196 15.770 -24.082 1.00 0.00 H new ATOM 0 HB2 HIS A 81 21.690 16.107 -22.268 1.00 0.00 H new ATOM 0 HB3 HIS A 81 23.108 15.818 -23.256 1.00 0.00 H new ATOM 0 HD1 HIS A 81 24.310 17.934 -24.128 1.00 0.00 H new ATOM 0 HD2 HIS A 81 20.320 18.592 -22.949 1.00 0.00 H new ATOM 0 HE1 HIS A 81 23.899 20.450 -24.302 1.00 0.00 H new ATOM 1213 N GLN A 82 20.823 17.097 -26.160 1.00 0.00 N ATOM 1214 CA GLN A 82 21.083 17.821 -27.394 1.00 0.00 C ATOM 1215 C GLN A 82 20.835 19.310 -27.150 1.00 0.00 C ATOM 1216 O GLN A 82 19.953 19.683 -26.370 1.00 0.00 O ATOM 1217 CB GLN A 82 20.235 17.237 -28.544 1.00 0.00 C ATOM 1218 CG GLN A 82 18.701 17.347 -28.403 1.00 0.00 C ATOM 1219 CD GLN A 82 18.093 18.589 -29.062 1.00 0.00 C ATOM 1220 OE1 GLN A 82 18.717 19.640 -29.176 1.00 0.00 O ATOM 1221 NE2 GLN A 82 16.861 18.502 -29.535 1.00 0.00 N ATOM 0 H GLN A 82 20.019 17.460 -25.647 1.00 0.00 H new ATOM 0 HA GLN A 82 22.123 17.707 -27.701 1.00 0.00 H new ATOM 0 HB2 GLN A 82 20.528 17.735 -29.469 1.00 0.00 H new ATOM 0 HB3 GLN A 82 20.491 16.183 -28.654 1.00 0.00 H new ATOM 0 HG2 GLN A 82 18.244 16.459 -28.839 1.00 0.00 H new ATOM 0 HG3 GLN A 82 18.445 17.350 -27.344 1.00 0.00 H new ATOM 0 HE21 GLN A 82 16.339 17.630 -29.442 1.00 0.00 H new ATOM 0 HE22 GLN A 82 16.432 19.307 -29.993 1.00 0.00 H new ATOM 1230 N SER A 83 21.600 20.154 -27.842 1.00 0.00 N ATOM 1231 CA SER A 83 21.643 21.597 -27.640 1.00 0.00 C ATOM 1232 C SER A 83 21.133 22.373 -28.864 1.00 0.00 C ATOM 1233 O SER A 83 21.128 23.605 -28.849 1.00 0.00 O ATOM 1234 CB SER A 83 23.082 21.980 -27.255 1.00 0.00 C ATOM 1235 OG SER A 83 24.032 21.317 -28.080 1.00 0.00 O ATOM 0 H SER A 83 22.227 19.839 -28.583 1.00 0.00 H new ATOM 0 HA SER A 83 20.966 21.875 -26.832 1.00 0.00 H new ATOM 0 HB2 SER A 83 23.210 23.059 -27.345 1.00 0.00 H new ATOM 0 HB3 SER A 83 23.262 21.723 -26.211 1.00 0.00 H new ATOM 0 HG SER A 83 24.937 21.581 -27.813 1.00 0.00 H new ATOM 1241 N GLN A 84 20.666 21.676 -29.908 1.00 0.00 N ATOM 1242 CA GLN A 84 20.032 22.297 -31.069 1.00 0.00 C ATOM 1243 C GLN A 84 18.710 22.957 -30.654 1.00 0.00 C ATOM 1244 O GLN A 84 18.352 24.009 -31.188 1.00 0.00 O ATOM 1245 CB GLN A 84 19.784 21.248 -32.167 1.00 0.00 C ATOM 1246 CG GLN A 84 21.083 20.628 -32.705 1.00 0.00 C ATOM 1247 CD GLN A 84 20.798 19.633 -33.831 1.00 0.00 C ATOM 1248 OE1 GLN A 84 20.554 18.452 -33.596 1.00 0.00 O ATOM 1249 NE2 GLN A 84 20.811 20.078 -35.078 1.00 0.00 N ATOM 0 H GLN A 84 20.720 20.659 -29.967 1.00 0.00 H new ATOM 0 HA GLN A 84 20.698 23.063 -31.466 1.00 0.00 H new ATOM 0 HB2 GLN A 84 19.147 20.457 -31.770 1.00 0.00 H new ATOM 0 HB3 GLN A 84 19.241 21.712 -32.990 1.00 0.00 H new ATOM 0 HG2 GLN A 84 21.741 21.416 -33.071 1.00 0.00 H new ATOM 0 HG3 GLN A 84 21.610 20.123 -31.895 1.00 0.00 H new ATOM 0 HE21 GLN A 84 21.014 21.060 -35.267 1.00 0.00 H new ATOM 0 HE22 GLN A 84 20.618 19.439 -35.849 1.00 0.00 H new ATOM 1258 N ASP A 85 18.008 22.367 -29.682 1.00 0.00 N ATOM 1259 CA ASP A 85 16.746 22.866 -29.132 1.00 0.00 C ATOM 1260 C ASP A 85 16.669 22.610 -27.616 1.00 0.00 C ATOM 1261 O ASP A 85 15.580 22.469 -27.061 1.00 0.00 O ATOM 1262 CB ASP A 85 15.567 22.245 -29.902 1.00 0.00 C ATOM 1263 CG ASP A 85 14.225 22.927 -29.577 1.00 0.00 C ATOM 1264 OD1 ASP A 85 14.135 24.174 -29.641 1.00 0.00 O ATOM 1265 OD2 ASP A 85 13.232 22.210 -29.318 1.00 0.00 O ATOM 0 H ASP A 85 18.314 21.499 -29.242 1.00 0.00 H new ATOM 0 HA ASP A 85 16.692 23.947 -29.261 1.00 0.00 H new ATOM 0 HB2 ASP A 85 15.758 22.318 -30.973 1.00 0.00 H new ATOM 0 HB3 ASP A 85 15.499 21.184 -29.662 1.00 0.00 H new ATOM 1270 N LYS A 86 17.842 22.539 -26.957 1.00 0.00 N ATOM 1271 CA LYS A 86 18.050 22.316 -25.517 1.00 0.00 C ATOM 1272 C LYS A 86 17.059 21.310 -24.921 1.00 0.00 C ATOM 1273 O LYS A 86 16.091 21.684 -24.254 1.00 0.00 O ATOM 1274 CB LYS A 86 18.085 23.661 -24.759 1.00 0.00 C ATOM 1275 CG LYS A 86 19.457 24.362 -24.784 1.00 0.00 C ATOM 1276 CD LYS A 86 20.605 23.598 -24.092 1.00 0.00 C ATOM 1277 CE LYS A 86 20.238 23.166 -22.665 1.00 0.00 C ATOM 1278 NZ LYS A 86 21.282 22.343 -22.018 1.00 0.00 N ATOM 0 H LYS A 86 18.728 22.643 -27.452 1.00 0.00 H new ATOM 0 HA LYS A 86 19.027 21.849 -25.391 1.00 0.00 H new ATOM 0 HB2 LYS A 86 17.340 24.329 -25.191 1.00 0.00 H new ATOM 0 HB3 LYS A 86 17.796 23.489 -23.722 1.00 0.00 H new ATOM 0 HG2 LYS A 86 19.736 24.540 -25.823 1.00 0.00 H new ATOM 0 HG3 LYS A 86 19.356 25.338 -24.310 1.00 0.00 H new ATOM 0 HD2 LYS A 86 20.860 22.718 -24.682 1.00 0.00 H new ATOM 0 HD3 LYS A 86 21.493 24.230 -24.061 1.00 0.00 H new ATOM 0 HE2 LYS A 86 20.057 24.054 -22.059 1.00 0.00 H new ATOM 0 HE3 LYS A 86 19.305 22.603 -22.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 20.880 21.863 -21.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 21.632 21.633 -22.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 22.069 22.953 -21.718 1.00 0.00 H new ATOM 1292 N LYS A 87 17.309 20.022 -25.168 1.00 0.00 N ATOM 1293 CA LYS A 87 16.448 18.937 -24.715 1.00 0.00 C ATOM 1294 C LYS A 87 17.266 17.787 -24.165 1.00 0.00 C ATOM 1295 O LYS A 87 18.412 17.562 -24.562 1.00 0.00 O ATOM 1296 CB LYS A 87 15.558 18.446 -25.872 1.00 0.00 C ATOM 1297 CG LYS A 87 14.257 19.249 -25.938 1.00 0.00 C ATOM 1298 CD LYS A 87 13.466 18.958 -27.219 1.00 0.00 C ATOM 1299 CE LYS A 87 12.084 19.619 -27.155 1.00 0.00 C ATOM 1300 NZ LYS A 87 12.162 21.093 -27.044 1.00 0.00 N ATOM 0 H LYS A 87 18.124 19.704 -25.693 1.00 0.00 H new ATOM 0 HA LYS A 87 15.815 19.319 -23.914 1.00 0.00 H new ATOM 0 HB2 LYS A 87 16.096 18.540 -26.815 1.00 0.00 H new ATOM 0 HB3 LYS A 87 15.331 17.388 -25.738 1.00 0.00 H new ATOM 0 HG2 LYS A 87 13.641 19.013 -25.070 1.00 0.00 H new ATOM 0 HG3 LYS A 87 14.485 20.314 -25.887 1.00 0.00 H new ATOM 0 HD2 LYS A 87 14.014 19.329 -28.085 1.00 0.00 H new ATOM 0 HD3 LYS A 87 13.356 17.881 -27.349 1.00 0.00 H new ATOM 0 HE2 LYS A 87 11.518 19.355 -28.048 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.535 19.223 -26.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 11.276 21.458 -26.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.958 21.353 -26.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 12.307 21.505 -27.988 1.00 0.00 H new ATOM 1314 N ILE A 88 16.627 17.036 -23.279 1.00 0.00 N ATOM 1315 CA ILE A 88 17.086 15.759 -22.761 1.00 0.00 C ATOM 1316 C ILE A 88 16.223 14.707 -23.468 1.00 0.00 C ATOM 1317 O ILE A 88 15.093 14.995 -23.872 1.00 0.00 O ATOM 1318 CB ILE A 88 16.940 15.759 -21.218 1.00 0.00 C ATOM 1319 CG1 ILE A 88 17.746 16.892 -20.542 1.00 0.00 C ATOM 1320 CG2 ILE A 88 17.314 14.409 -20.582 1.00 0.00 C ATOM 1321 CD1 ILE A 88 19.266 16.820 -20.727 1.00 0.00 C ATOM 0 H ILE A 88 15.730 17.317 -22.884 1.00 0.00 H new ATOM 0 HA ILE A 88 18.138 15.550 -22.953 1.00 0.00 H new ATOM 0 HB ILE A 88 15.880 15.938 -21.039 1.00 0.00 H new ATOM 0 HG12 ILE A 88 17.395 17.847 -20.932 1.00 0.00 H new ATOM 0 HG13 ILE A 88 17.526 16.884 -19.474 1.00 0.00 H new ATOM 0 HG21 ILE A 88 17.192 14.470 -19.501 1.00 0.00 H new ATOM 0 HG22 ILE A 88 16.664 13.628 -20.977 1.00 0.00 H new ATOM 0 HG23 ILE A 88 18.351 14.171 -20.817 1.00 0.00 H new ATOM 0 HD11 ILE A 88 19.735 17.660 -20.214 1.00 0.00 H new ATOM 0 HD12 ILE A 88 19.640 15.885 -20.309 1.00 0.00 H new ATOM 0 HD13 ILE A 88 19.506 16.864 -21.789 1.00 0.00 H new ATOM 1333 N HIS A 89 16.728 13.487 -23.616 1.00 0.00 N ATOM 1334 CA HIS A 89 16.019 12.389 -24.251 1.00 0.00 C ATOM 1335 C HIS A 89 16.191 11.155 -23.373 1.00 0.00 C ATOM 1336 O HIS A 89 17.290 10.925 -22.868 1.00 0.00 O ATOM 1337 CB HIS A 89 16.576 12.173 -25.666 1.00 0.00 C ATOM 1338 CG HIS A 89 15.668 11.344 -26.540 1.00 0.00 C ATOM 1339 ND1 HIS A 89 14.454 11.747 -27.044 1.00 0.00 N ATOM 1340 CD2 HIS A 89 15.909 10.089 -27.028 1.00 0.00 C ATOM 1341 CE1 HIS A 89 13.967 10.756 -27.808 1.00 0.00 C ATOM 1342 NE2 HIS A 89 14.820 9.716 -27.828 1.00 0.00 N ATOM 0 H HIS A 89 17.660 13.232 -23.290 1.00 0.00 H new ATOM 0 HA HIS A 89 14.955 12.604 -24.352 1.00 0.00 H new ATOM 0 HB2 HIS A 89 16.739 13.142 -26.138 1.00 0.00 H new ATOM 0 HB3 HIS A 89 17.548 11.685 -25.597 1.00 0.00 H new ATOM 0 HD2 HIS A 89 16.786 9.490 -26.831 1.00 0.00 H new ATOM 0 HE1 HIS A 89 13.023 10.789 -28.332 1.00 0.00 H new ATOM 0 HE2 HIS A 89 14.699 8.834 -28.325 1.00 0.00 H new ATOM 1350 N VAL A 90 15.131 10.362 -23.203 1.00 0.00 N ATOM 1351 CA VAL A 90 15.109 9.165 -22.362 1.00 0.00 C ATOM 1352 C VAL A 90 14.618 8.032 -23.267 1.00 0.00 C ATOM 1353 O VAL A 90 13.556 8.150 -23.876 1.00 0.00 O ATOM 1354 CB VAL A 90 14.194 9.383 -21.136 1.00 0.00 C ATOM 1355 CG1 VAL A 90 14.387 8.239 -20.135 1.00 0.00 C ATOM 1356 CG2 VAL A 90 14.439 10.724 -20.418 1.00 0.00 C ATOM 0 H VAL A 90 14.237 10.541 -23.661 1.00 0.00 H new ATOM 0 HA VAL A 90 16.091 8.925 -21.954 1.00 0.00 H new ATOM 0 HB VAL A 90 13.172 9.403 -21.516 1.00 0.00 H new ATOM 0 HG11 VAL A 90 13.740 8.397 -19.272 1.00 0.00 H new ATOM 0 HG12 VAL A 90 14.132 7.292 -20.611 1.00 0.00 H new ATOM 0 HG13 VAL A 90 15.427 8.213 -19.809 1.00 0.00 H new ATOM 0 HG21 VAL A 90 13.763 10.810 -19.568 1.00 0.00 H new ATOM 0 HG22 VAL A 90 15.470 10.766 -20.067 1.00 0.00 H new ATOM 0 HG23 VAL A 90 14.258 11.546 -21.111 1.00 0.00 H new ATOM 1366 N TYR A 91 15.392 6.960 -23.416 1.00 0.00 N ATOM 1367 CA TYR A 91 15.126 5.951 -24.436 1.00 0.00 C ATOM 1368 C TYR A 91 15.814 4.624 -24.105 1.00 0.00 C ATOM 1369 O TYR A 91 16.466 4.494 -23.066 1.00 0.00 O ATOM 1370 CB TYR A 91 15.611 6.515 -25.788 1.00 0.00 C ATOM 1371 CG TYR A 91 17.115 6.718 -25.900 1.00 0.00 C ATOM 1372 CD1 TYR A 91 17.768 7.718 -25.152 1.00 0.00 C ATOM 1373 CD2 TYR A 91 17.869 5.894 -26.755 1.00 0.00 C ATOM 1374 CE1 TYR A 91 19.158 7.875 -25.233 1.00 0.00 C ATOM 1375 CE2 TYR A 91 19.260 6.058 -26.857 1.00 0.00 C ATOM 1376 CZ TYR A 91 19.915 7.057 -26.098 1.00 0.00 C ATOM 1377 OH TYR A 91 21.263 7.242 -26.207 1.00 0.00 O ATOM 0 H TYR A 91 16.212 6.768 -22.840 1.00 0.00 H new ATOM 0 HA TYR A 91 14.058 5.736 -24.480 1.00 0.00 H new ATOM 0 HB2 TYR A 91 15.291 5.840 -26.582 1.00 0.00 H new ATOM 0 HB3 TYR A 91 15.117 7.471 -25.964 1.00 0.00 H new ATOM 0 HD1 TYR A 91 17.192 8.369 -24.511 1.00 0.00 H new ATOM 0 HD2 TYR A 91 17.375 5.130 -27.337 1.00 0.00 H new ATOM 0 HE1 TYR A 91 19.651 8.624 -24.632 1.00 0.00 H new ATOM 0 HE2 TYR A 91 19.831 5.421 -27.516 1.00 0.00 H new ATOM 0 HH TYR A 91 21.515 8.081 -25.768 1.00 0.00 H new ATOM 1387 N GLY A 92 15.704 3.645 -25.006 1.00 0.00 N ATOM 1388 CA GLY A 92 16.333 2.342 -24.855 1.00 0.00 C ATOM 1389 C GLY A 92 15.585 1.478 -23.843 1.00 0.00 C ATOM 1390 O GLY A 92 14.409 1.708 -23.551 1.00 0.00 O ATOM 0 H GLY A 92 15.168 3.741 -25.869 1.00 0.00 H new ATOM 0 HA2 GLY A 92 16.360 1.835 -25.820 1.00 0.00 H new ATOM 0 HA3 GLY A 92 17.367 2.470 -24.533 1.00 0.00 H new ATOM 1394 N TYR A 93 16.273 0.460 -23.328 1.00 0.00 N ATOM 1395 CA TYR A 93 15.776 -0.446 -22.303 1.00 0.00 C ATOM 1396 C TYR A 93 16.949 -0.836 -21.407 1.00 0.00 C ATOM 1397 O TYR A 93 18.097 -0.835 -21.863 1.00 0.00 O ATOM 1398 CB TYR A 93 15.129 -1.682 -22.952 1.00 0.00 C ATOM 1399 CG TYR A 93 16.011 -2.485 -23.895 1.00 0.00 C ATOM 1400 CD1 TYR A 93 16.098 -2.135 -25.258 1.00 0.00 C ATOM 1401 CD2 TYR A 93 16.723 -3.603 -23.419 1.00 0.00 C ATOM 1402 CE1 TYR A 93 16.893 -2.891 -26.138 1.00 0.00 C ATOM 1403 CE2 TYR A 93 17.523 -4.363 -24.291 1.00 0.00 C ATOM 1404 CZ TYR A 93 17.609 -4.012 -25.658 1.00 0.00 C ATOM 1405 OH TYR A 93 18.372 -4.767 -26.498 1.00 0.00 O ATOM 0 H TYR A 93 17.223 0.239 -23.625 1.00 0.00 H new ATOM 0 HA TYR A 93 15.008 0.040 -21.702 1.00 0.00 H new ATOM 0 HB2 TYR A 93 14.784 -2.345 -22.158 1.00 0.00 H new ATOM 0 HB3 TYR A 93 14.246 -1.357 -23.502 1.00 0.00 H new ATOM 0 HD1 TYR A 93 15.551 -1.281 -25.629 1.00 0.00 H new ATOM 0 HD2 TYR A 93 16.654 -3.879 -22.377 1.00 0.00 H new ATOM 0 HE1 TYR A 93 16.957 -2.615 -27.180 1.00 0.00 H new ATOM 0 HE2 TYR A 93 18.072 -5.215 -23.917 1.00 0.00 H new ATOM 0 HH TYR A 93 18.792 -5.495 -25.993 1.00 0.00 H new ATOM 1415 N SER A 94 16.681 -1.144 -20.134 1.00 0.00 N ATOM 1416 CA SER A 94 17.749 -1.517 -19.220 1.00 0.00 C ATOM 1417 C SER A 94 18.317 -2.887 -19.590 1.00 0.00 C ATOM 1418 O SER A 94 17.588 -3.780 -20.030 1.00 0.00 O ATOM 1419 CB SER A 94 17.301 -1.461 -17.757 1.00 0.00 C ATOM 1420 OG SER A 94 16.250 -2.359 -17.488 1.00 0.00 O ATOM 0 H SER A 94 15.747 -1.141 -19.724 1.00 0.00 H new ATOM 0 HA SER A 94 18.547 -0.782 -19.324 1.00 0.00 H new ATOM 0 HB2 SER A 94 18.148 -1.691 -17.110 1.00 0.00 H new ATOM 0 HB3 SER A 94 16.981 -0.447 -17.515 1.00 0.00 H new ATOM 0 HG SER A 94 15.445 -2.073 -17.968 1.00 0.00 H new ATOM 1426 N MET A 95 19.614 -3.062 -19.339 1.00 0.00 N ATOM 1427 CA MET A 95 20.336 -4.311 -19.556 1.00 0.00 C ATOM 1428 C MET A 95 19.742 -5.494 -18.766 1.00 0.00 C ATOM 1429 O MET A 95 19.959 -6.640 -19.164 1.00 0.00 O ATOM 1430 CB MET A 95 21.814 -4.071 -19.193 1.00 0.00 C ATOM 1431 CG MET A 95 22.749 -5.214 -19.608 1.00 0.00 C ATOM 1432 SD MET A 95 24.518 -4.878 -19.361 1.00 0.00 S ATOM 1433 CE MET A 95 24.616 -4.861 -17.548 1.00 0.00 C ATOM 0 H MET A 95 20.206 -2.318 -18.969 1.00 0.00 H new ATOM 0 HA MET A 95 20.244 -4.597 -20.604 1.00 0.00 H new ATOM 0 HB2 MET A 95 22.150 -3.149 -19.668 1.00 0.00 H new ATOM 0 HB3 MET A 95 21.894 -3.922 -18.116 1.00 0.00 H new ATOM 0 HG2 MET A 95 22.481 -6.107 -19.044 1.00 0.00 H new ATOM 0 HG3 MET A 95 22.580 -5.439 -20.661 1.00 0.00 H new ATOM 0 HE1 MET A 95 25.656 -4.755 -17.241 1.00 0.00 H new ATOM 0 HE2 MET A 95 24.036 -4.024 -17.160 1.00 0.00 H new ATOM 0 HE3 MET A 95 24.215 -5.794 -17.153 1.00 0.00 H new ATOM 1443 N ALA A 96 18.999 -5.246 -17.674 1.00 0.00 N ATOM 1444 CA ALA A 96 18.577 -6.292 -16.740 1.00 0.00 C ATOM 1445 C ALA A 96 17.081 -6.283 -16.388 1.00 0.00 C ATOM 1446 O ALA A 96 16.608 -7.292 -15.861 1.00 0.00 O ATOM 1447 CB ALA A 96 19.425 -6.178 -15.466 1.00 0.00 C ATOM 0 H ALA A 96 18.676 -4.313 -17.418 1.00 0.00 H new ATOM 0 HA ALA A 96 18.736 -7.245 -17.245 1.00 0.00 H new ATOM 0 HB1 ALA A 96 19.124 -6.950 -14.758 1.00 0.00 H new ATOM 0 HB2 ALA A 96 20.478 -6.306 -15.717 1.00 0.00 H new ATOM 0 HB3 ALA A 96 19.276 -5.196 -15.017 1.00 0.00 H new ATOM 1453 N TYR A 97 16.327 -5.211 -16.673 1.00 0.00 N ATOM 1454 CA TYR A 97 14.949 -5.052 -16.185 1.00 0.00 C ATOM 1455 C TYR A 97 13.979 -4.588 -17.282 1.00 0.00 C ATOM 1456 O TYR A 97 12.802 -4.355 -16.998 1.00 0.00 O ATOM 1457 CB TYR A 97 14.929 -4.099 -14.974 1.00 0.00 C ATOM 1458 CG TYR A 97 15.958 -4.408 -13.899 1.00 0.00 C ATOM 1459 CD1 TYR A 97 15.820 -5.561 -13.104 1.00 0.00 C ATOM 1460 CD2 TYR A 97 17.063 -3.553 -13.710 1.00 0.00 C ATOM 1461 CE1 TYR A 97 16.777 -5.862 -12.121 1.00 0.00 C ATOM 1462 CE2 TYR A 97 18.024 -3.844 -12.724 1.00 0.00 C ATOM 1463 CZ TYR A 97 17.881 -5.003 -11.922 1.00 0.00 C ATOM 1464 OH TYR A 97 18.801 -5.311 -10.963 1.00 0.00 O ATOM 0 H TYR A 97 16.654 -4.433 -17.246 1.00 0.00 H new ATOM 0 HA TYR A 97 14.595 -6.034 -15.870 1.00 0.00 H new ATOM 0 HB2 TYR A 97 15.090 -3.081 -15.329 1.00 0.00 H new ATOM 0 HB3 TYR A 97 13.936 -4.127 -14.525 1.00 0.00 H new ATOM 0 HD1 TYR A 97 14.975 -6.217 -13.250 1.00 0.00 H new ATOM 0 HD2 TYR A 97 17.172 -2.671 -14.324 1.00 0.00 H new ATOM 0 HE1 TYR A 97 16.669 -6.751 -11.517 1.00 0.00 H new ATOM 0 HE2 TYR A 97 18.868 -3.186 -12.579 1.00 0.00 H new ATOM 0 HH TYR A 97 19.501 -4.625 -10.948 1.00 0.00 H new ATOM 1474 N GLY A 98 14.437 -4.477 -18.535 1.00 0.00 N ATOM 1475 CA GLY A 98 13.612 -4.041 -19.656 1.00 0.00 C ATOM 1476 C GLY A 98 13.365 -2.529 -19.641 1.00 0.00 C ATOM 1477 O GLY A 98 13.968 -1.803 -18.838 1.00 0.00 O ATOM 0 H GLY A 98 15.400 -4.690 -18.796 1.00 0.00 H new ATOM 0 HA2 GLY A 98 14.098 -4.319 -20.592 1.00 0.00 H new ATOM 0 HA3 GLY A 98 12.656 -4.564 -19.626 1.00 0.00 H new ATOM 1481 N PRO A 99 12.540 -2.018 -20.570 1.00 0.00 N ATOM 1482 CA PRO A 99 12.256 -0.597 -20.672 1.00 0.00 C ATOM 1483 C PRO A 99 11.375 -0.141 -19.508 1.00 0.00 C ATOM 1484 O PRO A 99 10.400 -0.804 -19.143 1.00 0.00 O ATOM 1485 CB PRO A 99 11.556 -0.410 -22.020 1.00 0.00 C ATOM 1486 CG PRO A 99 10.886 -1.760 -22.273 1.00 0.00 C ATOM 1487 CD PRO A 99 11.826 -2.763 -21.601 1.00 0.00 C ATOM 0 HA PRO A 99 13.162 0.006 -20.618 1.00 0.00 H new ATOM 0 HB2 PRO A 99 10.826 0.398 -21.983 1.00 0.00 H new ATOM 0 HB3 PRO A 99 12.266 -0.162 -22.809 1.00 0.00 H new ATOM 0 HG2 PRO A 99 9.886 -1.798 -21.842 1.00 0.00 H new ATOM 0 HG3 PRO A 99 10.781 -1.962 -23.339 1.00 0.00 H new ATOM 0 HD2 PRO A 99 11.266 -3.591 -21.167 1.00 0.00 H new ATOM 0 HD3 PRO A 99 12.520 -3.192 -22.324 1.00 0.00 H new ATOM 1495 N ALA A 100 11.718 1.011 -18.938 1.00 0.00 N ATOM 1496 CA ALA A 100 10.879 1.708 -17.979 1.00 0.00 C ATOM 1497 C ALA A 100 9.709 2.391 -18.695 1.00 0.00 C ATOM 1498 O ALA A 100 9.673 2.490 -19.925 1.00 0.00 O ATOM 1499 CB ALA A 100 11.727 2.789 -17.312 1.00 0.00 C ATOM 0 H ALA A 100 12.598 1.489 -19.134 1.00 0.00 H new ATOM 0 HA ALA A 100 10.489 0.997 -17.250 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.121 3.330 -16.585 1.00 0.00 H new ATOM 0 HB2 ALA A 100 12.574 2.326 -16.806 1.00 0.00 H new ATOM 0 HB3 ALA A 100 12.092 3.484 -18.069 1.00 0.00 H new ATOM 1505 N GLN A 101 8.767 2.918 -17.908 1.00 0.00 N ATOM 1506 CA GLN A 101 7.719 3.806 -18.391 1.00 0.00 C ATOM 1507 C GLN A 101 8.376 5.179 -18.569 1.00 0.00 C ATOM 1508 O GLN A 101 8.198 6.062 -17.735 1.00 0.00 O ATOM 1509 CB GLN A 101 6.542 3.858 -17.398 1.00 0.00 C ATOM 1510 CG GLN A 101 5.677 2.595 -17.449 1.00 0.00 C ATOM 1511 CD GLN A 101 4.597 2.616 -16.366 1.00 0.00 C ATOM 1512 OE1 GLN A 101 4.735 1.997 -15.313 1.00 0.00 O ATOM 1513 NE2 GLN A 101 3.503 3.330 -16.585 1.00 0.00 N ATOM 0 H GLN A 101 8.715 2.734 -16.906 1.00 0.00 H new ATOM 0 HA GLN A 101 7.298 3.456 -19.333 1.00 0.00 H new ATOM 0 HB2 GLN A 101 6.929 3.989 -16.387 1.00 0.00 H new ATOM 0 HB3 GLN A 101 5.923 4.728 -17.618 1.00 0.00 H new ATOM 0 HG2 GLN A 101 5.209 2.511 -18.430 1.00 0.00 H new ATOM 0 HG3 GLN A 101 6.307 1.715 -17.320 1.00 0.00 H new ATOM 0 HE21 GLN A 101 3.395 3.841 -17.461 1.00 0.00 H new ATOM 0 HE22 GLN A 101 2.769 3.368 -15.878 1.00 0.00 H new ATOM 1522 N HIS A 102 9.185 5.359 -19.616 1.00 0.00 N ATOM 1523 CA HIS A 102 9.954 6.587 -19.841 1.00 0.00 C ATOM 1524 C HIS A 102 9.073 7.844 -19.941 1.00 0.00 C ATOM 1525 O HIS A 102 9.577 8.950 -19.754 1.00 0.00 O ATOM 1526 CB HIS A 102 10.824 6.431 -21.092 1.00 0.00 C ATOM 1527 CG HIS A 102 11.774 5.264 -21.020 1.00 0.00 C ATOM 1528 ND1 HIS A 102 11.732 4.105 -21.764 1.00 0.00 N ATOM 1529 CD2 HIS A 102 12.795 5.124 -20.123 1.00 0.00 C ATOM 1530 CE1 HIS A 102 12.704 3.294 -21.311 1.00 0.00 C ATOM 1531 NE2 HIS A 102 13.394 3.879 -20.322 1.00 0.00 N ATOM 0 H HIS A 102 9.326 4.652 -20.337 1.00 0.00 H new ATOM 0 HA HIS A 102 10.589 6.734 -18.967 1.00 0.00 H new ATOM 0 HB2 HIS A 102 10.178 6.311 -21.962 1.00 0.00 H new ATOM 0 HB3 HIS A 102 11.396 7.346 -21.244 1.00 0.00 H new ATOM 0 HD1 HIS A 102 11.081 3.899 -22.522 1.00 0.00 H new ATOM 0 HD2 HIS A 102 13.089 5.854 -19.384 1.00 0.00 H new ATOM 0 HE1 HIS A 102 12.902 2.303 -21.693 1.00 0.00 H new ATOM 1539 N ALA A 103 7.766 7.688 -20.184 1.00 0.00 N ATOM 1540 CA ALA A 103 6.796 8.774 -20.086 1.00 0.00 C ATOM 1541 C ALA A 103 6.806 9.415 -18.684 1.00 0.00 C ATOM 1542 O ALA A 103 6.653 10.631 -18.559 1.00 0.00 O ATOM 1543 CB ALA A 103 5.404 8.232 -20.426 1.00 0.00 C ATOM 0 H ALA A 103 7.353 6.796 -20.456 1.00 0.00 H new ATOM 0 HA ALA A 103 7.068 9.555 -20.796 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.673 9.037 -20.355 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.407 7.833 -21.440 1.00 0.00 H new ATOM 0 HB3 ALA A 103 5.141 7.440 -19.725 1.00 0.00 H new ATOM 1549 N ILE A 104 7.005 8.617 -17.628 1.00 0.00 N ATOM 1550 CA ILE A 104 7.153 9.104 -16.258 1.00 0.00 C ATOM 1551 C ILE A 104 8.396 9.984 -16.181 1.00 0.00 C ATOM 1552 O ILE A 104 8.339 11.067 -15.604 1.00 0.00 O ATOM 1553 CB ILE A 104 7.255 7.924 -15.258 1.00 0.00 C ATOM 1554 CG1 ILE A 104 6.018 7.003 -15.291 1.00 0.00 C ATOM 1555 CG2 ILE A 104 7.503 8.423 -13.823 1.00 0.00 C ATOM 1556 CD1 ILE A 104 4.762 7.648 -14.699 1.00 0.00 C ATOM 0 H ILE A 104 7.068 7.602 -17.706 1.00 0.00 H new ATOM 0 HA ILE A 104 6.274 9.688 -15.985 1.00 0.00 H new ATOM 0 HB ILE A 104 8.112 7.332 -15.580 1.00 0.00 H new ATOM 0 HG12 ILE A 104 5.817 6.714 -16.323 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.241 6.088 -14.742 1.00 0.00 H new ATOM 0 HG21 ILE A 104 7.569 7.570 -13.148 1.00 0.00 H new ATOM 0 HG22 ILE A 104 8.436 8.986 -13.790 1.00 0.00 H new ATOM 0 HG23 ILE A 104 6.680 9.067 -13.514 1.00 0.00 H new ATOM 0 HD11 ILE A 104 3.931 6.945 -14.755 1.00 0.00 H new ATOM 0 HD12 ILE A 104 4.945 7.912 -13.657 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.515 8.547 -15.263 1.00 0.00 H new ATOM 1568 N SER A 105 9.505 9.538 -16.767 1.00 0.00 N ATOM 1569 CA SER A 105 10.753 10.270 -16.750 1.00 0.00 C ATOM 1570 C SER A 105 10.584 11.636 -17.394 1.00 0.00 C ATOM 1571 O SER A 105 10.950 12.630 -16.774 1.00 0.00 O ATOM 1572 CB SER A 105 11.819 9.453 -17.465 1.00 0.00 C ATOM 1573 OG SER A 105 11.820 8.145 -16.928 1.00 0.00 O ATOM 0 H SER A 105 9.555 8.651 -17.269 1.00 0.00 H new ATOM 0 HA SER A 105 11.064 10.434 -15.718 1.00 0.00 H new ATOM 0 HB2 SER A 105 11.617 9.422 -18.536 1.00 0.00 H new ATOM 0 HB3 SER A 105 12.798 9.915 -17.338 1.00 0.00 H new ATOM 0 HG SER A 105 12.173 8.167 -16.014 1.00 0.00 H new ATOM 1579 N THR A 106 9.987 11.714 -18.585 1.00 0.00 N ATOM 1580 CA THR A 106 9.709 13.000 -19.214 1.00 0.00 C ATOM 1581 C THR A 106 8.832 13.882 -18.322 1.00 0.00 C ATOM 1582 O THR A 106 9.173 15.046 -18.123 1.00 0.00 O ATOM 1583 CB THR A 106 9.107 12.826 -20.619 1.00 0.00 C ATOM 1584 OG1 THR A 106 8.189 11.756 -20.700 1.00 0.00 O ATOM 1585 CG2 THR A 106 10.181 12.548 -21.663 1.00 0.00 C ATOM 0 H THR A 106 9.689 10.904 -19.129 1.00 0.00 H new ATOM 0 HA THR A 106 10.661 13.515 -19.338 1.00 0.00 H new ATOM 0 HB THR A 106 8.598 13.770 -20.814 1.00 0.00 H new ATOM 0 HG1 THR A 106 7.763 11.623 -19.827 1.00 0.00 H new ATOM 0 HG21 THR A 106 9.716 12.431 -22.642 1.00 0.00 H new ATOM 0 HG22 THR A 106 10.884 13.381 -21.692 1.00 0.00 H new ATOM 0 HG23 THR A 106 10.713 11.633 -21.403 1.00 0.00 H new ATOM 1593 N GLU A 107 7.751 13.348 -17.740 1.00 0.00 N ATOM 1594 CA GLU A 107 6.849 14.130 -16.901 1.00 0.00 C ATOM 1595 C GLU A 107 7.598 14.692 -15.687 1.00 0.00 C ATOM 1596 O GLU A 107 7.529 15.890 -15.404 1.00 0.00 O ATOM 1597 CB GLU A 107 5.643 13.264 -16.471 1.00 0.00 C ATOM 1598 CG GLU A 107 4.589 13.117 -17.580 1.00 0.00 C ATOM 1599 CD GLU A 107 3.838 14.432 -17.858 1.00 0.00 C ATOM 1600 OE1 GLU A 107 2.896 14.770 -17.106 1.00 0.00 O ATOM 1601 OE2 GLU A 107 4.164 15.130 -18.844 1.00 0.00 O ATOM 0 H GLU A 107 7.483 12.369 -17.839 1.00 0.00 H new ATOM 0 HA GLU A 107 6.470 14.976 -17.475 1.00 0.00 H new ATOM 0 HB2 GLU A 107 5.997 12.275 -16.180 1.00 0.00 H new ATOM 0 HB3 GLU A 107 5.178 13.708 -15.591 1.00 0.00 H new ATOM 0 HG2 GLU A 107 5.074 12.779 -18.496 1.00 0.00 H new ATOM 0 HG3 GLU A 107 3.873 12.346 -17.296 1.00 0.00 H new ATOM 1608 N LYS A 108 8.351 13.843 -14.985 1.00 0.00 N ATOM 1609 CA LYS A 108 9.028 14.227 -13.754 1.00 0.00 C ATOM 1610 C LYS A 108 10.219 15.138 -14.031 1.00 0.00 C ATOM 1611 O LYS A 108 10.388 16.132 -13.330 1.00 0.00 O ATOM 1612 CB LYS A 108 9.454 12.970 -12.985 1.00 0.00 C ATOM 1613 CG LYS A 108 8.250 12.228 -12.390 1.00 0.00 C ATOM 1614 CD LYS A 108 8.711 11.070 -11.491 1.00 0.00 C ATOM 1615 CE LYS A 108 7.553 10.489 -10.670 1.00 0.00 C ATOM 1616 NZ LYS A 108 7.042 11.464 -9.675 1.00 0.00 N ATOM 0 H LYS A 108 8.506 12.872 -15.257 1.00 0.00 H new ATOM 0 HA LYS A 108 8.332 14.796 -13.138 1.00 0.00 H new ATOM 0 HB2 LYS A 108 9.998 12.302 -13.653 1.00 0.00 H new ATOM 0 HB3 LYS A 108 10.140 13.249 -12.185 1.00 0.00 H new ATOM 0 HG2 LYS A 108 7.639 12.922 -11.812 1.00 0.00 H new ATOM 0 HG3 LYS A 108 7.622 11.843 -13.193 1.00 0.00 H new ATOM 0 HD2 LYS A 108 9.150 10.285 -12.107 1.00 0.00 H new ATOM 0 HD3 LYS A 108 9.493 11.422 -10.818 1.00 0.00 H new ATOM 0 HE2 LYS A 108 6.745 10.194 -11.339 1.00 0.00 H new ATOM 0 HE3 LYS A 108 7.887 9.587 -10.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 6.133 11.129 -9.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 7.727 11.559 -8.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 6.907 12.388 -10.132 1.00 0.00 H new ATOM 1630 N ILE A 109 11.036 14.850 -15.047 1.00 0.00 N ATOM 1631 CA ILE A 109 12.169 15.697 -15.409 1.00 0.00 C ATOM 1632 C ILE A 109 11.623 17.057 -15.870 1.00 0.00 C ATOM 1633 O ILE A 109 12.146 18.075 -15.421 1.00 0.00 O ATOM 1634 CB ILE A 109 13.087 14.969 -16.429 1.00 0.00 C ATOM 1635 CG1 ILE A 109 13.792 13.757 -15.766 1.00 0.00 C ATOM 1636 CG2 ILE A 109 14.202 15.846 -17.031 1.00 0.00 C ATOM 1637 CD1 ILE A 109 14.426 12.797 -16.787 1.00 0.00 C ATOM 0 H ILE A 109 10.929 14.026 -15.638 1.00 0.00 H new ATOM 0 HA ILE A 109 12.819 15.894 -14.556 1.00 0.00 H new ATOM 0 HB ILE A 109 12.409 14.673 -17.230 1.00 0.00 H new ATOM 0 HG12 ILE A 109 14.565 14.120 -15.088 1.00 0.00 H new ATOM 0 HG13 ILE A 109 13.069 13.210 -15.161 1.00 0.00 H new ATOM 0 HG21 ILE A 109 14.792 15.255 -17.731 1.00 0.00 H new ATOM 0 HG22 ILE A 109 13.757 16.691 -17.555 1.00 0.00 H new ATOM 0 HG23 ILE A 109 14.847 16.213 -16.233 1.00 0.00 H new ATOM 0 HD11 ILE A 109 14.903 11.970 -16.261 1.00 0.00 H new ATOM 0 HD12 ILE A 109 13.653 12.408 -17.449 1.00 0.00 H new ATOM 0 HD13 ILE A 109 15.172 13.332 -17.375 1.00 0.00 H new ATOM 1649 N LYS A 110 10.544 17.133 -16.669 1.00 0.00 N ATOM 1650 CA LYS A 110 9.962 18.434 -17.017 1.00 0.00 C ATOM 1651 C LYS A 110 9.486 19.175 -15.767 1.00 0.00 C ATOM 1652 O LYS A 110 9.706 20.378 -15.684 1.00 0.00 O ATOM 1653 CB LYS A 110 8.816 18.331 -18.043 1.00 0.00 C ATOM 1654 CG LYS A 110 9.320 18.104 -19.480 1.00 0.00 C ATOM 1655 CD LYS A 110 8.238 18.295 -20.556 1.00 0.00 C ATOM 1656 CE LYS A 110 7.802 19.770 -20.653 1.00 0.00 C ATOM 1657 NZ LYS A 110 6.914 20.041 -21.811 1.00 0.00 N ATOM 0 H LYS A 110 10.069 16.327 -17.076 1.00 0.00 H new ATOM 0 HA LYS A 110 10.762 19.004 -17.490 1.00 0.00 H new ATOM 0 HB2 LYS A 110 8.155 17.512 -17.761 1.00 0.00 H new ATOM 0 HB3 LYS A 110 8.223 19.245 -18.011 1.00 0.00 H new ATOM 0 HG2 LYS A 110 10.142 18.791 -19.679 1.00 0.00 H new ATOM 0 HG3 LYS A 110 9.723 17.094 -19.558 1.00 0.00 H new ATOM 0 HD2 LYS A 110 8.619 17.961 -21.521 1.00 0.00 H new ATOM 0 HD3 LYS A 110 7.374 17.673 -20.322 1.00 0.00 H new ATOM 0 HE2 LYS A 110 7.287 20.051 -19.734 1.00 0.00 H new ATOM 0 HE3 LYS A 110 8.688 20.400 -20.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 6.116 20.634 -21.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.450 20.537 -22.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 6.553 19.142 -22.189 1.00 0.00 H new ATOM 1671 N ALA A 111 8.875 18.496 -14.789 1.00 0.00 N ATOM 1672 CA ALA A 111 8.461 19.148 -13.546 1.00 0.00 C ATOM 1673 C ALA A 111 9.671 19.684 -12.762 1.00 0.00 C ATOM 1674 O ALA A 111 9.620 20.793 -12.227 1.00 0.00 O ATOM 1675 CB ALA A 111 7.641 18.174 -12.690 1.00 0.00 C ATOM 0 H ALA A 111 8.658 17.500 -14.836 1.00 0.00 H new ATOM 0 HA ALA A 111 7.836 20.004 -13.801 1.00 0.00 H new ATOM 0 HB1 ALA A 111 7.337 18.668 -11.767 1.00 0.00 H new ATOM 0 HB2 ALA A 111 6.755 17.861 -13.243 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.247 17.300 -12.451 1.00 0.00 H new ATOM 1681 N LYS A 112 10.758 18.906 -12.684 1.00 0.00 N ATOM 1682 CA LYS A 112 11.978 19.265 -11.956 1.00 0.00 C ATOM 1683 C LYS A 112 12.758 20.391 -12.654 1.00 0.00 C ATOM 1684 O LYS A 112 13.436 21.158 -11.971 1.00 0.00 O ATOM 1685 CB LYS A 112 12.811 17.982 -11.765 1.00 0.00 C ATOM 1686 CG LYS A 112 14.075 18.170 -10.911 1.00 0.00 C ATOM 1687 CD LYS A 112 13.763 18.323 -9.412 1.00 0.00 C ATOM 1688 CE LYS A 112 15.032 18.346 -8.545 1.00 0.00 C ATOM 1689 NZ LYS A 112 15.849 19.573 -8.736 1.00 0.00 N ATOM 0 H LYS A 112 10.813 17.992 -13.134 1.00 0.00 H new ATOM 0 HA LYS A 112 11.723 19.673 -10.978 1.00 0.00 H new ATOM 0 HB2 LYS A 112 12.183 17.221 -11.301 1.00 0.00 H new ATOM 0 HB3 LYS A 112 13.102 17.602 -12.745 1.00 0.00 H new ATOM 0 HG2 LYS A 112 14.736 17.315 -11.055 1.00 0.00 H new ATOM 0 HG3 LYS A 112 14.614 19.052 -11.257 1.00 0.00 H new ATOM 0 HD2 LYS A 112 13.202 19.244 -9.253 1.00 0.00 H new ATOM 0 HD3 LYS A 112 13.123 17.501 -9.092 1.00 0.00 H new ATOM 0 HE2 LYS A 112 14.749 18.265 -7.496 1.00 0.00 H new ATOM 0 HE3 LYS A 112 15.640 17.472 -8.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 16.690 19.529 -8.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 16.147 19.641 -9.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 15.283 20.409 -8.486 1.00 0.00 H new ATOM 1703 N TYR A 113 12.652 20.519 -13.981 1.00 0.00 N ATOM 1704 CA TYR A 113 13.482 21.392 -14.813 1.00 0.00 C ATOM 1705 C TYR A 113 14.993 21.291 -14.488 1.00 0.00 C ATOM 1706 O TYR A 113 15.623 22.307 -14.180 1.00 0.00 O ATOM 1707 CB TYR A 113 12.963 22.845 -14.802 1.00 0.00 C ATOM 1708 CG TYR A 113 11.602 23.062 -15.434 1.00 0.00 C ATOM 1709 CD1 TYR A 113 11.466 22.997 -16.835 1.00 0.00 C ATOM 1710 CD2 TYR A 113 10.484 23.373 -14.634 1.00 0.00 C ATOM 1711 CE1 TYR A 113 10.216 23.226 -17.437 1.00 0.00 C ATOM 1712 CE2 TYR A 113 9.231 23.607 -15.229 1.00 0.00 C ATOM 1713 CZ TYR A 113 9.090 23.526 -16.635 1.00 0.00 C ATOM 1714 OH TYR A 113 7.883 23.744 -17.230 1.00 0.00 O ATOM 0 H TYR A 113 11.962 19.999 -14.522 1.00 0.00 H new ATOM 0 HA TYR A 113 13.388 21.027 -15.836 1.00 0.00 H new ATOM 0 HB2 TYR A 113 12.922 23.189 -13.768 1.00 0.00 H new ATOM 0 HB3 TYR A 113 13.688 23.474 -15.319 1.00 0.00 H new ATOM 0 HD1 TYR A 113 12.325 22.770 -17.449 1.00 0.00 H new ATOM 0 HD2 TYR A 113 10.590 23.432 -13.561 1.00 0.00 H new ATOM 0 HE1 TYR A 113 10.116 23.173 -18.511 1.00 0.00 H new ATOM 0 HE2 TYR A 113 8.377 23.848 -14.613 1.00 0.00 H new ATOM 0 HH TYR A 113 7.210 23.937 -16.544 1.00 0.00 H new ATOM 1724 N PRO A 114 15.616 20.092 -14.544 1.00 0.00 N ATOM 1725 CA PRO A 114 17.069 19.959 -14.469 1.00 0.00 C ATOM 1726 C PRO A 114 17.715 20.464 -15.778 1.00 0.00 C ATOM 1727 O PRO A 114 18.908 20.767 -15.811 1.00 0.00 O ATOM 1728 CB PRO A 114 17.314 18.463 -14.241 1.00 0.00 C ATOM 1729 CG PRO A 114 16.185 17.817 -15.022 1.00 0.00 C ATOM 1730 CD PRO A 114 15.031 18.810 -14.900 1.00 0.00 C ATOM 0 HA PRO A 114 17.513 20.553 -13.670 1.00 0.00 H new ATOM 0 HB2 PRO A 114 18.291 18.152 -14.610 1.00 0.00 H new ATOM 0 HB3 PRO A 114 17.275 18.203 -13.183 1.00 0.00 H new ATOM 0 HG2 PRO A 114 16.463 17.655 -16.063 1.00 0.00 H new ATOM 0 HG3 PRO A 114 15.919 16.844 -14.608 1.00 0.00 H new ATOM 0 HD2 PRO A 114 14.483 18.883 -15.839 1.00 0.00 H new ATOM 0 HD3 PRO A 114 14.320 18.485 -14.140 1.00 0.00 H new ATOM 1738 N ASP A 115 16.918 20.577 -16.848 1.00 0.00 N ATOM 1739 CA ASP A 115 17.210 21.209 -18.129 1.00 0.00 C ATOM 1740 C ASP A 115 15.876 21.791 -18.641 1.00 0.00 C ATOM 1741 O ASP A 115 14.867 21.714 -17.930 1.00 0.00 O ATOM 1742 CB ASP A 115 17.825 20.195 -19.104 1.00 0.00 C ATOM 1743 CG ASP A 115 18.635 20.906 -20.195 1.00 0.00 C ATOM 1744 OD1 ASP A 115 18.043 21.341 -21.205 1.00 0.00 O ATOM 1745 OD2 ASP A 115 19.863 21.074 -20.020 1.00 0.00 O ATOM 0 H ASP A 115 15.973 20.194 -16.832 1.00 0.00 H new ATOM 0 HA ASP A 115 17.948 22.005 -18.031 1.00 0.00 H new ATOM 0 HB2 ASP A 115 18.469 19.505 -18.559 1.00 0.00 H new ATOM 0 HB3 ASP A 115 17.035 19.600 -19.562 1.00 0.00 H new ATOM 1750 N TYR A 116 15.846 22.391 -19.832 1.00 0.00 N ATOM 1751 CA TYR A 116 14.703 23.161 -20.315 1.00 0.00 C ATOM 1752 C TYR A 116 13.499 22.280 -20.668 1.00 0.00 C ATOM 1753 O TYR A 116 12.377 22.623 -20.291 1.00 0.00 O ATOM 1754 CB TYR A 116 15.122 24.008 -21.526 1.00 0.00 C ATOM 1755 CG TYR A 116 16.043 25.167 -21.183 1.00 0.00 C ATOM 1756 CD1 TYR A 116 17.431 24.964 -21.065 1.00 0.00 C ATOM 1757 CD2 TYR A 116 15.506 26.453 -20.973 1.00 0.00 C ATOM 1758 CE1 TYR A 116 18.284 26.034 -20.738 1.00 0.00 C ATOM 1759 CE2 TYR A 116 16.351 27.530 -20.650 1.00 0.00 C ATOM 1760 CZ TYR A 116 17.745 27.326 -20.531 1.00 0.00 C ATOM 1761 OH TYR A 116 18.553 28.378 -20.213 1.00 0.00 O ATOM 0 H TYR A 116 16.622 22.355 -20.493 1.00 0.00 H new ATOM 0 HA TYR A 116 14.383 23.812 -19.501 1.00 0.00 H new ATOM 0 HB2 TYR A 116 15.620 23.364 -22.251 1.00 0.00 H new ATOM 0 HB3 TYR A 116 14.227 24.400 -22.009 1.00 0.00 H new ATOM 0 HD1 TYR A 116 17.844 23.979 -21.227 1.00 0.00 H new ATOM 0 HD2 TYR A 116 14.441 26.612 -21.060 1.00 0.00 H new ATOM 0 HE1 TYR A 116 19.347 25.870 -20.645 1.00 0.00 H new ATOM 0 HE2 TYR A 116 15.935 28.514 -20.493 1.00 0.00 H new ATOM 0 HH TYR A 116 18.010 29.187 -20.109 1.00 0.00 H new ATOM 1771 N GLU A 117 13.697 21.164 -21.379 1.00 0.00 N ATOM 1772 CA GLU A 117 12.618 20.273 -21.805 1.00 0.00 C ATOM 1773 C GLU A 117 13.188 18.867 -22.054 1.00 0.00 C ATOM 1774 O GLU A 117 14.405 18.660 -22.031 1.00 0.00 O ATOM 1775 CB GLU A 117 11.886 20.888 -23.023 1.00 0.00 C ATOM 1776 CG GLU A 117 10.654 20.089 -23.481 1.00 0.00 C ATOM 1777 CD GLU A 117 9.657 20.914 -24.311 1.00 0.00 C ATOM 1778 OE1 GLU A 117 10.061 21.538 -25.319 1.00 0.00 O ATOM 1779 OE2 GLU A 117 8.453 20.895 -23.967 1.00 0.00 O ATOM 0 H GLU A 117 14.622 20.853 -21.677 1.00 0.00 H new ATOM 0 HA GLU A 117 11.864 20.164 -21.025 1.00 0.00 H new ATOM 0 HB2 GLU A 117 11.576 21.903 -22.773 1.00 0.00 H new ATOM 0 HB3 GLU A 117 12.587 20.964 -23.855 1.00 0.00 H new ATOM 0 HG2 GLU A 117 10.985 19.234 -24.071 1.00 0.00 H new ATOM 0 HG3 GLU A 117 10.143 19.692 -22.604 1.00 0.00 H new ATOM 1786 N VAL A 118 12.310 17.885 -22.268 1.00 0.00 N ATOM 1787 CA VAL A 118 12.626 16.465 -22.307 1.00 0.00 C ATOM 1788 C VAL A 118 11.785 15.826 -23.419 1.00 0.00 C ATOM 1789 O VAL A 118 10.693 16.313 -23.726 1.00 0.00 O ATOM 1790 CB VAL A 118 12.297 15.814 -20.941 1.00 0.00 C ATOM 1791 CG1 VAL A 118 13.050 14.488 -20.726 1.00 0.00 C ATOM 1792 CG2 VAL A 118 12.610 16.701 -19.729 1.00 0.00 C ATOM 0 H VAL A 118 11.319 18.071 -22.425 1.00 0.00 H new ATOM 0 HA VAL A 118 13.687 16.314 -22.506 1.00 0.00 H new ATOM 0 HB VAL A 118 11.221 15.651 -20.997 1.00 0.00 H new ATOM 0 HG11 VAL A 118 12.785 14.072 -19.754 1.00 0.00 H new ATOM 0 HG12 VAL A 118 12.775 13.782 -21.510 1.00 0.00 H new ATOM 0 HG13 VAL A 118 14.124 14.670 -20.762 1.00 0.00 H new ATOM 0 HG21 VAL A 118 12.350 16.170 -18.813 1.00 0.00 H new ATOM 0 HG22 VAL A 118 13.673 16.943 -19.720 1.00 0.00 H new ATOM 0 HG23 VAL A 118 12.029 17.621 -19.792 1.00 0.00 H new ATOM 1802 N THR A 119 12.260 14.715 -23.972 1.00 0.00 N ATOM 1803 CA THR A 119 11.558 13.873 -24.933 1.00 0.00 C ATOM 1804 C THR A 119 11.838 12.404 -24.585 1.00 0.00 C ATOM 1805 O THR A 119 12.712 12.113 -23.759 1.00 0.00 O ATOM 1806 CB THR A 119 12.016 14.227 -26.363 1.00 0.00 C ATOM 1807 OG1 THR A 119 13.426 14.353 -26.440 1.00 0.00 O ATOM 1808 CG2 THR A 119 11.381 15.519 -26.880 1.00 0.00 C ATOM 0 H THR A 119 13.190 14.360 -23.751 1.00 0.00 H new ATOM 0 HA THR A 119 10.482 14.041 -24.887 1.00 0.00 H new ATOM 0 HB THR A 119 11.684 13.400 -26.991 1.00 0.00 H new ATOM 0 HG1 THR A 119 13.829 13.465 -26.533 1.00 0.00 H new ATOM 0 HG21 THR A 119 11.738 15.721 -27.890 1.00 0.00 H new ATOM 0 HG22 THR A 119 10.296 15.412 -26.893 1.00 0.00 H new ATOM 0 HG23 THR A 119 11.656 16.347 -26.226 1.00 0.00 H new ATOM 1816 N TRP A 120 11.122 11.468 -25.209 1.00 0.00 N ATOM 1817 CA TRP A 120 11.413 10.048 -25.062 1.00 0.00 C ATOM 1818 C TRP A 120 11.158 9.299 -26.360 1.00 0.00 C ATOM 1819 O TRP A 120 10.566 9.843 -27.298 1.00 0.00 O ATOM 1820 CB TRP A 120 10.608 9.413 -23.910 1.00 0.00 C ATOM 1821 CG TRP A 120 9.135 9.195 -24.109 1.00 0.00 C ATOM 1822 CD1 TRP A 120 8.200 10.159 -24.247 1.00 0.00 C ATOM 1823 CD2 TRP A 120 8.397 7.932 -24.158 1.00 0.00 C ATOM 1824 NE1 TRP A 120 6.943 9.595 -24.302 1.00 0.00 N ATOM 1825 CE2 TRP A 120 7.002 8.221 -24.237 1.00 0.00 C ATOM 1826 CE3 TRP A 120 8.764 6.570 -24.137 1.00 0.00 C ATOM 1827 CZ2 TRP A 120 6.024 7.213 -24.242 1.00 0.00 C ATOM 1828 CZ3 TRP A 120 7.793 5.552 -24.116 1.00 0.00 C ATOM 1829 CH2 TRP A 120 6.424 5.869 -24.167 1.00 0.00 C ATOM 0 H TRP A 120 10.334 11.673 -25.823 1.00 0.00 H new ATOM 0 HA TRP A 120 12.471 9.965 -24.815 1.00 0.00 H new ATOM 0 HB2 TRP A 120 11.059 8.448 -23.681 1.00 0.00 H new ATOM 0 HB3 TRP A 120 10.735 10.042 -23.029 1.00 0.00 H new ATOM 0 HD1 TRP A 120 8.406 11.217 -24.306 1.00 0.00 H new ATOM 0 HE1 TRP A 120 6.078 10.129 -24.381 1.00 0.00 H new ATOM 0 HE3 TRP A 120 9.811 6.304 -24.137 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 4.976 7.469 -24.303 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 8.102 4.519 -24.060 1.00 0.00 H new ATOM 0 HH2 TRP A 120 5.684 5.083 -24.149 1.00 0.00 H new ATOM 1840 N ALA A 121 11.587 8.039 -26.387 1.00 0.00 N ATOM 1841 CA ALA A 121 11.264 7.082 -27.424 1.00 0.00 C ATOM 1842 C ALA A 121 11.123 5.717 -26.754 1.00 0.00 C ATOM 1843 O ALA A 121 11.857 5.403 -25.816 1.00 0.00 O ATOM 1844 CB ALA A 121 12.360 7.054 -28.497 1.00 0.00 C ATOM 0 H ALA A 121 12.188 7.651 -25.660 1.00 0.00 H new ATOM 0 HA ALA A 121 10.336 7.358 -27.924 1.00 0.00 H new ATOM 0 HB1 ALA A 121 12.097 6.328 -29.267 1.00 0.00 H new ATOM 0 HB2 ALA A 121 12.454 8.042 -28.947 1.00 0.00 H new ATOM 0 HB3 ALA A 121 13.309 6.772 -28.041 1.00 0.00 H new ATOM 1850 N ASN A 122 10.180 4.907 -27.234 1.00 0.00 N ATOM 1851 CA ASN A 122 9.856 3.597 -26.663 1.00 0.00 C ATOM 1852 C ASN A 122 10.754 2.490 -27.247 1.00 0.00 C ATOM 1853 O ASN A 122 10.354 1.329 -27.339 1.00 0.00 O ATOM 1854 CB ASN A 122 8.361 3.316 -26.881 1.00 0.00 C ATOM 1855 CG ASN A 122 7.871 2.106 -26.083 1.00 0.00 C ATOM 1856 OD1 ASN A 122 8.272 1.885 -24.942 1.00 0.00 O ATOM 1857 ND2 ASN A 122 6.976 1.308 -26.646 1.00 0.00 N ATOM 0 H ASN A 122 9.609 5.146 -28.045 1.00 0.00 H new ATOM 0 HA ASN A 122 10.055 3.606 -25.591 1.00 0.00 H new ATOM 0 HB2 ASN A 122 7.784 4.195 -26.594 1.00 0.00 H new ATOM 0 HB3 ASN A 122 8.177 3.146 -27.942 1.00 0.00 H new ATOM 0 HD21 ASN A 122 6.615 0.504 -26.132 1.00 0.00 H new ATOM 0 HD22 ASN A 122 6.648 1.498 -27.593 1.00 0.00 H new ATOM 1864 N ASP A 123 11.951 2.850 -27.713 1.00 0.00 N ATOM 1865 CA ASP A 123 12.928 1.958 -28.332 1.00 0.00 C ATOM 1866 C ASP A 123 14.315 2.581 -28.153 1.00 0.00 C ATOM 1867 O ASP A 123 14.441 3.681 -27.608 1.00 0.00 O ATOM 1868 CB ASP A 123 12.626 1.786 -29.834 1.00 0.00 C ATOM 1869 CG ASP A 123 13.242 0.531 -30.481 1.00 0.00 C ATOM 1870 OD1 ASP A 123 13.952 -0.246 -29.807 1.00 0.00 O ATOM 1871 OD2 ASP A 123 13.016 0.319 -31.695 1.00 0.00 O ATOM 0 H ASP A 123 12.279 3.815 -27.666 1.00 0.00 H new ATOM 0 HA ASP A 123 12.883 0.976 -27.862 1.00 0.00 H new ATOM 0 HB2 ASP A 123 11.545 1.754 -29.971 1.00 0.00 H new ATOM 0 HB3 ASP A 123 12.989 2.666 -30.365 1.00 0.00 H new ATOM 1876 N GLY A 124 15.349 1.894 -28.621 1.00 0.00 N ATOM 1877 CA GLY A 124 16.742 2.320 -28.600 1.00 0.00 C ATOM 1878 C GLY A 124 17.670 1.127 -28.373 1.00 0.00 C ATOM 1879 O GLY A 124 17.213 0.017 -28.087 1.00 0.00 O ATOM 0 H GLY A 124 15.232 0.975 -29.048 1.00 0.00 H new ATOM 0 HA2 GLY A 124 16.992 2.807 -29.542 1.00 0.00 H new ATOM 0 HA3 GLY A 124 16.890 3.057 -27.811 1.00 0.00 H new ATOM 1883 N TYR A 125 18.976 1.365 -28.473 1.00 0.00 N ATOM 1884 CA TYR A 125 20.035 0.408 -28.183 1.00 0.00 C ATOM 1885 C TYR A 125 21.259 1.218 -27.776 1.00 0.00 C ATOM 1886 O TYR A 125 21.970 0.810 -26.837 1.00 0.00 O ATOM 1887 CB TYR A 125 20.331 -0.451 -29.420 1.00 0.00 C ATOM 1888 CG TYR A 125 21.406 -1.498 -29.197 1.00 0.00 C ATOM 1889 CD1 TYR A 125 21.130 -2.623 -28.394 1.00 0.00 C ATOM 1890 CD2 TYR A 125 22.680 -1.349 -29.777 1.00 0.00 C ATOM 1891 CE1 TYR A 125 22.119 -3.598 -28.175 1.00 0.00 C ATOM 1892 CE2 TYR A 125 23.675 -2.319 -29.562 1.00 0.00 C ATOM 1893 CZ TYR A 125 23.399 -3.450 -28.759 1.00 0.00 C ATOM 1894 OH TYR A 125 24.350 -4.401 -28.538 1.00 0.00 O ATOM 1895 OXT TYR A 125 21.466 2.315 -28.342 1.00 0.00 O ATOM 0 H TYR A 125 19.338 2.271 -28.772 1.00 0.00 H new ATOM 0 HA TYR A 125 19.743 -0.273 -27.384 1.00 0.00 H new ATOM 0 HB2 TYR A 125 19.413 -0.948 -29.734 1.00 0.00 H new ATOM 0 HB3 TYR A 125 20.636 0.201 -30.239 1.00 0.00 H new ATOM 0 HD1 TYR A 125 20.154 -2.737 -27.945 1.00 0.00 H new ATOM 0 HD2 TYR A 125 22.894 -0.486 -30.390 1.00 0.00 H new ATOM 0 HE1 TYR A 125 21.902 -4.460 -27.561 1.00 0.00 H new ATOM 0 HE2 TYR A 125 24.650 -2.200 -30.010 1.00 0.00 H new ATOM 0 HH TYR A 125 25.174 -4.155 -29.008 1.00 0.00 H new TER 1905 TYR A 125