USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 679 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 45 SER OG : rot 180:sc= -1.35 USER MOD Set 1.2: A 49 LYS NZ :NH3+ -150:sc= -2.21 (180deg=-1.53) USER MOD Set 2.1: A 26 HIS : no HE2:sc= -14.6! C(o=-20!,f=-23!) USER MOD Set 2.2: A 30 HIS : no HD1:sc= -5.01 K(o=-20,f=-22!) USER MOD Set 3.1: A 22 SER OG : rot 77:sc= 1.18 USER MOD Set 3.2: A 44 CYS SG : rot 100:sc= -2.67 USER MOD Single : A 1 GLY N :NH3+ -171:sc= 0 (180deg=-0.0935) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -170:sc= -0.215 (180deg=-0.586) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl 164:sc= -1.5 (180deg=-1.95) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -168:sc= 0.684 USER MOD Single : A 15 TYR OH : rot -120:sc= -1.75 USER MOD Single : A 20 GLN : amide:sc= -1.5 K(o=-1.5,f=-3.7) USER MOD Single : A 21 THR OG1 : rot 100:sc= 1.27 USER MOD Single : A 27 LYS NZ :NH3+ 160:sc= -0.0676 (180deg=-0.629) USER MOD Single : A 28 LYS NZ :NH3+ 175:sc= 0.467 (180deg=0.422) USER MOD Single : A 29 LYS NZ :NH3+ -158:sc= -0.0416 (180deg=-0.35) USER MOD Single : A 34 SER OG : rot 180:sc= -0.188 USER MOD Single : A 36 ASN : amide:sc=-0.00286 X(o=-0.0029,f=-0.0029) USER MOD Single : A 38 SER OG : rot -90:sc= 0.712 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 163:sc= 0.155 (180deg=-0.0366) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl -170:sc= -0.337 (180deg=-0.694) USER MOD Single : A 52 SER OG : rot 180:sc= -0.258 USER MOD Single : A 54 LYS NZ :NH3+ 144:sc= -0.9 (180deg=-1.49) USER MOD Single : A 56 LYS NZ :NH3+ 151:sc= -0.618 (180deg=-1.16) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl 169:sc= 0 (180deg=-0.136) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 30:sc= 0 USER MOD Single : A 74 MET CE :methyl -138:sc= -2.37 (180deg=-4.16!) USER MOD Single : A 75 LYS NZ :NH3+ 160:sc= -0.0357 (180deg=-0.423) USER MOD Single : A 76 THR OG1 : rot -59:sc= 1.27 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.388 -25.887 11.656 1.00 0.00 N ATOM 2 CA GLY A 1 -13.056 -25.523 11.101 1.00 0.00 C ATOM 3 C GLY A 1 -12.855 -24.007 11.176 1.00 0.00 C ATOM 4 O GLY A 1 -11.795 -23.540 11.543 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.457 -26.921 11.743 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.504 -25.452 12.593 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.135 -25.543 11.020 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.269 -26.031 11.659 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.980 -25.858 10.066 1.00 0.00 H new ATOM 10 N LYS A 2 -13.890 -23.272 10.827 1.00 0.00 N ATOM 11 CA LYS A 2 -13.798 -21.784 10.864 1.00 0.00 C ATOM 12 C LYS A 2 -12.556 -21.294 10.121 1.00 0.00 C ATOM 13 O LYS A 2 -11.982 -22.012 9.327 1.00 0.00 O ATOM 14 CB LYS A 2 -13.715 -21.324 12.333 1.00 0.00 C ATOM 15 CG LYS A 2 -14.790 -22.052 13.157 1.00 0.00 C ATOM 16 CD LYS A 2 -14.693 -21.614 14.629 1.00 0.00 C ATOM 17 CE LYS A 2 -15.055 -20.124 14.761 1.00 0.00 C ATOM 18 NZ LYS A 2 -15.501 -19.823 16.148 1.00 0.00 N ATOM 0 H LYS A 2 -14.789 -23.643 10.520 1.00 0.00 H new ATOM 0 HA LYS A 2 -14.681 -21.368 10.379 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -12.725 -21.537 12.737 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -13.860 -20.246 12.397 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -15.781 -21.825 12.763 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -14.655 -23.131 13.078 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -15.365 -22.215 15.241 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -13.683 -21.786 15.002 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -14.191 -19.509 14.508 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -15.845 -19.871 14.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -15.742 -18.814 16.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -16.338 -20.397 16.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -14.735 -20.047 16.815 1.00 0.00 H new ATOM 32 N GLY A 3 -12.163 -20.078 10.390 1.00 0.00 N ATOM 33 CA GLY A 3 -10.960 -19.534 9.702 1.00 0.00 C ATOM 34 C GLY A 3 -10.475 -18.262 10.398 1.00 0.00 C ATOM 35 O GLY A 3 -9.524 -18.298 11.155 1.00 0.00 O ATOM 0 H GLY A 3 -12.617 -19.445 11.048 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -10.166 -20.280 9.701 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -11.196 -19.318 8.660 1.00 0.00 H new ATOM 39 N ASP A 4 -11.148 -17.158 10.121 1.00 0.00 N ATOM 40 CA ASP A 4 -10.752 -15.858 10.754 1.00 0.00 C ATOM 41 C ASP A 4 -11.964 -14.894 10.822 1.00 0.00 C ATOM 42 O ASP A 4 -12.837 -14.956 9.980 1.00 0.00 O ATOM 43 CB ASP A 4 -9.670 -15.208 9.867 1.00 0.00 C ATOM 44 CG ASP A 4 -8.460 -16.140 9.770 1.00 0.00 C ATOM 45 OD1 ASP A 4 -7.745 -16.203 10.756 1.00 0.00 O ATOM 46 OD2 ASP A 4 -8.320 -16.738 8.717 1.00 0.00 O ATOM 0 H ASP A 4 -11.947 -17.107 9.489 1.00 0.00 H new ATOM 0 HA ASP A 4 -10.387 -16.045 11.764 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -10.071 -15.010 8.873 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -9.370 -14.248 10.286 1.00 0.00 H new ATOM 51 N PRO A 5 -12.006 -14.006 11.837 1.00 0.00 N ATOM 52 CA PRO A 5 -13.124 -13.061 11.960 1.00 0.00 C ATOM 53 C PRO A 5 -13.188 -12.116 10.746 1.00 0.00 C ATOM 54 O PRO A 5 -13.988 -11.201 10.720 1.00 0.00 O ATOM 55 CB PRO A 5 -12.820 -12.244 13.262 1.00 0.00 C ATOM 56 CG PRO A 5 -11.414 -12.701 13.775 1.00 0.00 C ATOM 57 CD PRO A 5 -10.983 -13.911 12.907 1.00 0.00 C ATOM 0 HA PRO A 5 -14.083 -13.577 12.003 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -12.825 -11.174 13.055 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -13.584 -12.426 14.018 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -10.691 -11.890 13.691 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -11.460 -12.979 14.828 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -9.988 -13.761 12.488 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -10.945 -14.826 13.498 1.00 0.00 H new ATOM 65 N LYS A 6 -12.333 -12.369 9.771 1.00 0.00 N ATOM 66 CA LYS A 6 -12.305 -11.514 8.542 1.00 0.00 C ATOM 67 C LYS A 6 -11.923 -12.343 7.325 1.00 0.00 C ATOM 68 O LYS A 6 -10.787 -12.343 6.896 1.00 0.00 O ATOM 69 CB LYS A 6 -11.251 -10.397 8.746 1.00 0.00 C ATOM 70 CG LYS A 6 -9.866 -11.020 9.159 1.00 0.00 C ATOM 71 CD LYS A 6 -9.265 -10.227 10.331 1.00 0.00 C ATOM 72 CE LYS A 6 -7.794 -10.609 10.498 1.00 0.00 C ATOM 73 NZ LYS A 6 -7.612 -12.076 10.321 1.00 0.00 N ATOM 0 H LYS A 6 -11.656 -13.132 9.779 1.00 0.00 H new ATOM 0 HA LYS A 6 -13.294 -11.086 8.377 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -11.139 -9.822 7.827 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.590 -9.704 9.516 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.997 -12.064 9.444 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.183 -11.005 8.310 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -9.356 -9.157 10.145 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -9.814 -10.439 11.248 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.188 -10.071 9.769 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.445 -10.310 11.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.647 -12.343 10.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.298 -12.585 10.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.763 -12.327 9.323 1.00 0.00 H new ATOM 87 N LYS A 7 -12.888 -13.038 6.793 1.00 0.00 N ATOM 88 CA LYS A 7 -12.619 -13.873 5.611 1.00 0.00 C ATOM 89 C LYS A 7 -11.964 -13.043 4.457 1.00 0.00 C ATOM 90 O LYS A 7 -10.914 -13.411 3.967 1.00 0.00 O ATOM 91 CB LYS A 7 -13.971 -14.561 5.188 1.00 0.00 C ATOM 92 CG LYS A 7 -14.071 -14.787 3.657 1.00 0.00 C ATOM 93 CD LYS A 7 -13.011 -15.808 3.223 1.00 0.00 C ATOM 94 CE LYS A 7 -12.808 -15.702 1.711 1.00 0.00 C ATOM 95 NZ LYS A 7 -11.879 -16.763 1.229 1.00 0.00 N ATOM 0 H LYS A 7 -13.850 -13.058 7.132 1.00 0.00 H new ATOM 0 HA LYS A 7 -11.889 -14.647 5.849 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -14.063 -15.519 5.700 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -14.807 -13.943 5.516 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -15.066 -15.146 3.395 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -13.923 -13.845 3.129 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -12.072 -15.620 3.743 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -13.327 -16.816 3.491 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -13.768 -15.794 1.203 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -12.407 -14.720 1.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -11.754 -16.674 0.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -10.958 -16.658 1.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -12.276 -17.699 1.450 1.00 0.00 H new ATOM 109 N PRO A 8 -12.587 -11.922 4.041 1.00 0.00 N ATOM 110 CA PRO A 8 -12.015 -11.108 2.966 1.00 0.00 C ATOM 111 C PRO A 8 -10.743 -10.400 3.453 1.00 0.00 C ATOM 112 O PRO A 8 -10.787 -9.300 3.953 1.00 0.00 O ATOM 113 CB PRO A 8 -13.135 -10.071 2.620 1.00 0.00 C ATOM 114 CG PRO A 8 -14.156 -10.116 3.797 1.00 0.00 C ATOM 115 CD PRO A 8 -13.863 -11.414 4.591 1.00 0.00 C ATOM 0 HA PRO A 8 -11.725 -11.701 2.099 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -12.717 -9.071 2.507 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -13.619 -10.323 1.676 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -14.049 -9.239 4.436 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -15.179 -10.114 3.422 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -13.780 -11.213 5.659 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -14.664 -12.142 4.466 1.00 0.00 H new ATOM 123 N ARG A 9 -9.633 -11.058 3.315 1.00 0.00 N ATOM 124 CA ARG A 9 -8.374 -10.431 3.764 1.00 0.00 C ATOM 125 C ARG A 9 -8.029 -9.233 2.880 1.00 0.00 C ATOM 126 O ARG A 9 -7.424 -9.369 1.830 1.00 0.00 O ATOM 127 CB ARG A 9 -7.252 -11.495 3.702 1.00 0.00 C ATOM 128 CG ARG A 9 -6.120 -11.115 4.672 1.00 0.00 C ATOM 129 CD ARG A 9 -5.419 -9.840 4.184 1.00 0.00 C ATOM 130 NE ARG A 9 -4.076 -9.757 4.822 1.00 0.00 N ATOM 131 CZ ARG A 9 -3.380 -8.659 4.713 1.00 0.00 C ATOM 132 NH1 ARG A 9 -3.880 -7.655 4.042 1.00 0.00 N ATOM 133 NH2 ARG A 9 -2.210 -8.595 5.285 1.00 0.00 N ATOM 0 H ARG A 9 -9.545 -11.992 2.915 1.00 0.00 H new ATOM 0 HA ARG A 9 -8.483 -10.067 4.786 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -7.653 -12.475 3.962 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -6.864 -11.569 2.686 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -6.524 -10.958 5.672 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -5.401 -11.931 4.743 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -5.321 -9.855 3.099 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -6.013 -8.962 4.438 1.00 0.00 H new ATOM 0 HE ARG A 9 -3.703 -10.553 5.340 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.802 -7.737 3.613 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -3.349 -6.790 3.948 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.853 -9.395 5.807 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -1.652 -7.745 5.210 1.00 0.00 H new ATOM 147 N GLY A 10 -8.460 -8.072 3.327 1.00 0.00 N ATOM 148 CA GLY A 10 -8.195 -6.822 2.568 1.00 0.00 C ATOM 149 C GLY A 10 -8.024 -5.653 3.533 1.00 0.00 C ATOM 150 O GLY A 10 -7.144 -5.671 4.371 1.00 0.00 O ATOM 0 H GLY A 10 -8.986 -7.946 4.191 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.297 -6.938 1.962 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.018 -6.621 1.883 1.00 0.00 H new ATOM 154 N LYS A 11 -8.909 -4.687 3.402 1.00 0.00 N ATOM 155 CA LYS A 11 -8.871 -3.461 4.280 1.00 0.00 C ATOM 156 C LYS A 11 -7.420 -3.024 4.567 1.00 0.00 C ATOM 157 O LYS A 11 -7.089 -2.547 5.636 1.00 0.00 O ATOM 158 CB LYS A 11 -9.633 -3.797 5.609 1.00 0.00 C ATOM 159 CG LYS A 11 -10.660 -2.680 5.942 1.00 0.00 C ATOM 160 CD LYS A 11 -9.931 -1.390 6.435 1.00 0.00 C ATOM 161 CE LYS A 11 -9.575 -0.459 5.250 1.00 0.00 C ATOM 162 NZ LYS A 11 -9.504 0.955 5.716 1.00 0.00 N ATOM 0 H LYS A 11 -9.665 -4.694 2.717 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.354 -2.626 3.773 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.146 -4.754 5.510 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.921 -3.901 6.428 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.256 -2.452 5.058 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.350 -3.030 6.710 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.568 -0.857 7.141 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.022 -1.665 6.970 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.620 -0.756 4.817 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.324 -0.554 4.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.265 1.573 4.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.425 1.238 6.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.773 1.042 6.451 1.00 0.00 H new ATOM 176 N MET A 12 -6.594 -3.194 3.589 1.00 0.00 N ATOM 177 CA MET A 12 -5.180 -2.809 3.757 1.00 0.00 C ATOM 178 C MET A 12 -5.043 -1.300 3.907 1.00 0.00 C ATOM 179 O MET A 12 -5.838 -0.546 3.381 1.00 0.00 O ATOM 180 CB MET A 12 -4.415 -3.253 2.490 1.00 0.00 C ATOM 181 CG MET A 12 -4.006 -4.723 2.618 1.00 0.00 C ATOM 182 SD MET A 12 -3.460 -5.560 1.108 1.00 0.00 S ATOM 183 CE MET A 12 -2.587 -4.154 0.366 1.00 0.00 C ATOM 0 H MET A 12 -6.837 -3.584 2.678 1.00 0.00 H new ATOM 0 HA MET A 12 -4.779 -3.284 4.653 1.00 0.00 H new ATOM 0 HB2 MET A 12 -5.042 -3.116 1.609 1.00 0.00 H new ATOM 0 HB3 MET A 12 -3.531 -2.631 2.352 1.00 0.00 H new ATOM 0 HG2 MET A 12 -3.202 -4.788 3.351 1.00 0.00 H new ATOM 0 HG3 MET A 12 -4.853 -5.276 3.024 1.00 0.00 H new ATOM 0 HE1 MET A 12 -1.934 -4.510 -0.431 1.00 0.00 H new ATOM 0 HE2 MET A 12 -3.312 -3.452 -0.046 1.00 0.00 H new ATOM 0 HE3 MET A 12 -1.989 -3.654 1.128 1.00 0.00 H new ATOM 193 N SER A 13 -4.038 -0.890 4.622 1.00 0.00 N ATOM 194 CA SER A 13 -3.829 0.559 4.816 1.00 0.00 C ATOM 195 C SER A 13 -3.223 1.160 3.559 1.00 0.00 C ATOM 196 O SER A 13 -2.698 0.445 2.728 1.00 0.00 O ATOM 197 CB SER A 13 -2.846 0.753 5.983 1.00 0.00 C ATOM 198 OG SER A 13 -3.641 0.560 7.142 1.00 0.00 O ATOM 0 H SER A 13 -3.356 -1.497 5.078 1.00 0.00 H new ATOM 0 HA SER A 13 -4.780 1.047 5.028 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.027 0.035 5.938 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.400 1.747 5.967 1.00 0.00 H new ATOM 0 HG SER A 13 -3.085 0.666 7.942 1.00 0.00 H new ATOM 204 N SER A 14 -3.311 2.455 3.426 1.00 0.00 N ATOM 205 CA SER A 14 -2.737 3.089 2.217 1.00 0.00 C ATOM 206 C SER A 14 -1.269 2.734 2.095 1.00 0.00 C ATOM 207 O SER A 14 -0.712 2.729 1.015 1.00 0.00 O ATOM 208 CB SER A 14 -2.886 4.617 2.342 1.00 0.00 C ATOM 209 OG SER A 14 -4.136 4.792 2.992 1.00 0.00 O ATOM 0 H SER A 14 -3.749 3.089 4.094 1.00 0.00 H new ATOM 0 HA SER A 14 -3.262 2.732 1.331 1.00 0.00 H new ATOM 0 HB2 SER A 14 -2.071 5.051 2.922 1.00 0.00 H new ATOM 0 HB3 SER A 14 -2.874 5.100 1.365 1.00 0.00 H new ATOM 0 HG SER A 14 -4.402 5.734 2.941 1.00 0.00 H new ATOM 215 N TYR A 15 -0.666 2.438 3.215 1.00 0.00 N ATOM 216 CA TYR A 15 0.768 2.074 3.199 1.00 0.00 C ATOM 217 C TYR A 15 0.905 0.643 2.719 1.00 0.00 C ATOM 218 O TYR A 15 1.694 0.341 1.855 1.00 0.00 O ATOM 219 CB TYR A 15 1.324 2.172 4.642 1.00 0.00 C ATOM 220 CG TYR A 15 2.690 1.458 4.725 1.00 0.00 C ATOM 221 CD1 TYR A 15 3.666 1.675 3.766 1.00 0.00 C ATOM 222 CD2 TYR A 15 2.945 0.559 5.738 1.00 0.00 C ATOM 223 CE1 TYR A 15 4.863 1.010 3.822 1.00 0.00 C ATOM 224 CE2 TYR A 15 4.149 -0.108 5.790 1.00 0.00 C ATOM 225 CZ TYR A 15 5.114 0.110 4.832 1.00 0.00 C ATOM 226 OH TYR A 15 6.293 -0.583 4.865 1.00 0.00 O ATOM 0 H TYR A 15 -1.108 2.434 4.134 1.00 0.00 H new ATOM 0 HA TYR A 15 1.317 2.745 2.538 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.432 3.218 4.930 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.623 1.719 5.343 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.481 2.376 2.965 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.197 0.377 6.495 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.614 1.194 3.068 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.338 -0.809 6.590 1.00 0.00 H new ATOM 0 HH TYR A 15 6.109 -1.545 4.823 1.00 0.00 H new ATOM 236 N ALA A 16 0.150 -0.216 3.322 1.00 0.00 N ATOM 237 CA ALA A 16 0.213 -1.625 2.921 1.00 0.00 C ATOM 238 C ALA A 16 -0.065 -1.750 1.428 1.00 0.00 C ATOM 239 O ALA A 16 0.391 -2.675 0.786 1.00 0.00 O ATOM 240 CB ALA A 16 -0.843 -2.409 3.701 1.00 0.00 C ATOM 0 H ALA A 16 -0.505 0.000 4.073 1.00 0.00 H new ATOM 0 HA ALA A 16 1.206 -2.022 3.134 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.805 -3.459 3.410 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.646 -2.321 4.769 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.832 -2.007 3.480 1.00 0.00 H new ATOM 246 N PHE A 17 -0.807 -0.802 0.894 1.00 0.00 N ATOM 247 CA PHE A 17 -1.114 -0.864 -0.558 1.00 0.00 C ATOM 248 C PHE A 17 0.125 -0.478 -1.333 1.00 0.00 C ATOM 249 O PHE A 17 0.335 -0.921 -2.440 1.00 0.00 O ATOM 250 CB PHE A 17 -2.289 0.134 -0.863 1.00 0.00 C ATOM 251 CG PHE A 17 -3.519 -0.637 -1.370 1.00 0.00 C ATOM 252 CD1 PHE A 17 -4.458 -1.126 -0.480 1.00 0.00 C ATOM 253 CD2 PHE A 17 -3.700 -0.852 -2.724 1.00 0.00 C ATOM 254 CE1 PHE A 17 -5.558 -1.817 -0.938 1.00 0.00 C ATOM 255 CE2 PHE A 17 -4.802 -1.541 -3.179 1.00 0.00 C ATOM 256 CZ PHE A 17 -5.729 -2.023 -2.288 1.00 0.00 C ATOM 0 H PHE A 17 -1.202 -0.007 1.397 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.415 -1.870 -0.850 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.546 0.692 0.038 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.973 0.862 -1.610 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.328 -0.965 0.580 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.973 -0.477 -3.429 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -6.287 -2.197 -0.237 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.937 -1.703 -4.238 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.592 -2.564 -2.647 1.00 0.00 H new ATOM 266 N PHE A 18 0.924 0.342 -0.723 1.00 0.00 N ATOM 267 CA PHE A 18 2.176 0.785 -1.391 1.00 0.00 C ATOM 268 C PHE A 18 3.222 -0.307 -1.251 1.00 0.00 C ATOM 269 O PHE A 18 4.217 -0.306 -1.949 1.00 0.00 O ATOM 270 CB PHE A 18 2.662 2.108 -0.732 1.00 0.00 C ATOM 271 CG PHE A 18 4.155 2.335 -1.002 1.00 0.00 C ATOM 272 CD1 PHE A 18 5.111 1.736 -0.203 1.00 0.00 C ATOM 273 CD2 PHE A 18 4.565 3.152 -2.040 1.00 0.00 C ATOM 274 CE1 PHE A 18 6.450 1.953 -0.436 1.00 0.00 C ATOM 275 CE2 PHE A 18 5.908 3.365 -2.272 1.00 0.00 C ATOM 276 CZ PHE A 18 6.848 2.765 -1.469 1.00 0.00 C ATOM 0 H PHE A 18 0.767 0.726 0.209 1.00 0.00 H new ATOM 0 HA PHE A 18 2.001 0.968 -2.451 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.086 2.947 -1.122 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.484 2.071 0.343 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.805 1.094 0.609 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.829 3.626 -2.673 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.190 1.483 0.195 1.00 0.00 H new ATOM 0 HE2 PHE A 18 6.221 4.003 -3.085 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.899 2.932 -1.650 1.00 0.00 H new ATOM 286 N VAL A 19 2.974 -1.225 -0.329 1.00 0.00 N ATOM 287 CA VAL A 19 3.929 -2.334 -0.119 1.00 0.00 C ATOM 288 C VAL A 19 3.630 -3.415 -1.096 1.00 0.00 C ATOM 289 O VAL A 19 4.509 -3.913 -1.733 1.00 0.00 O ATOM 290 CB VAL A 19 3.774 -2.895 1.302 1.00 0.00 C ATOM 291 CG1 VAL A 19 4.682 -4.120 1.459 1.00 0.00 C ATOM 292 CG2 VAL A 19 4.221 -1.841 2.306 1.00 0.00 C ATOM 0 H VAL A 19 2.152 -1.238 0.274 1.00 0.00 H new ATOM 0 HA VAL A 19 4.946 -1.967 -0.255 1.00 0.00 H new ATOM 0 HB VAL A 19 2.733 -3.168 1.475 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.577 -4.524 2.466 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.397 -4.880 0.732 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.719 -3.828 1.291 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.113 -2.233 3.317 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.265 -1.586 2.125 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.605 -0.949 2.195 1.00 0.00 H new ATOM 302 N GLN A 20 2.377 -3.771 -1.193 1.00 0.00 N ATOM 303 CA GLN A 20 2.014 -4.832 -2.141 1.00 0.00 C ATOM 304 C GLN A 20 2.474 -4.400 -3.515 1.00 0.00 C ATOM 305 O GLN A 20 2.762 -5.203 -4.382 1.00 0.00 O ATOM 306 CB GLN A 20 0.461 -5.052 -2.086 1.00 0.00 C ATOM 307 CG GLN A 20 -0.288 -4.213 -3.163 1.00 0.00 C ATOM 308 CD GLN A 20 -0.296 -4.947 -4.522 1.00 0.00 C ATOM 309 OE1 GLN A 20 0.232 -6.031 -4.672 1.00 0.00 O ATOM 310 NE2 GLN A 20 -0.892 -4.381 -5.537 1.00 0.00 N ATOM 0 H GLN A 20 1.606 -3.371 -0.658 1.00 0.00 H new ATOM 0 HA GLN A 20 2.492 -5.779 -1.892 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.240 -6.109 -2.232 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.092 -4.783 -1.096 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -1.312 -4.028 -2.839 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.193 -3.241 -3.272 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.339 -3.471 -5.423 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.911 -4.849 -6.443 1.00 0.00 H new ATOM 319 N THR A 21 2.562 -3.106 -3.664 1.00 0.00 N ATOM 320 CA THR A 21 3.002 -2.557 -4.944 1.00 0.00 C ATOM 321 C THR A 21 4.493 -2.725 -5.049 1.00 0.00 C ATOM 322 O THR A 21 5.027 -2.901 -6.126 1.00 0.00 O ATOM 323 CB THR A 21 2.633 -1.076 -4.987 1.00 0.00 C ATOM 324 OG1 THR A 21 1.221 -1.048 -4.974 1.00 0.00 O ATOM 325 CG2 THR A 21 3.008 -0.453 -6.330 1.00 0.00 C ATOM 0 H THR A 21 2.344 -2.417 -2.944 1.00 0.00 H new ATOM 0 HA THR A 21 2.523 -3.073 -5.776 1.00 0.00 H new ATOM 0 HB THR A 21 3.130 -0.551 -4.171 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.906 -0.860 -4.065 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.733 0.602 -6.331 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.082 -0.548 -6.488 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.476 -0.967 -7.131 1.00 0.00 H new ATOM 333 N SER A 22 5.157 -2.665 -3.919 1.00 0.00 N ATOM 334 CA SER A 22 6.623 -2.828 -3.950 1.00 0.00 C ATOM 335 C SER A 22 6.951 -4.283 -4.235 1.00 0.00 C ATOM 336 O SER A 22 7.889 -4.581 -4.937 1.00 0.00 O ATOM 337 CB SER A 22 7.212 -2.423 -2.590 1.00 0.00 C ATOM 338 OG SER A 22 6.757 -1.091 -2.397 1.00 0.00 O ATOM 0 H SER A 22 4.746 -2.513 -2.998 1.00 0.00 H new ATOM 0 HA SER A 22 7.050 -2.195 -4.728 1.00 0.00 H new ATOM 0 HB2 SER A 22 6.866 -3.082 -1.794 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.301 -2.475 -2.596 1.00 0.00 H new ATOM 0 HG SER A 22 5.814 -1.103 -2.131 1.00 0.00 H new ATOM 344 N ARG A 23 6.157 -5.169 -3.669 1.00 0.00 N ATOM 345 CA ARG A 23 6.397 -6.633 -3.897 1.00 0.00 C ATOM 346 C ARG A 23 6.452 -6.919 -5.379 1.00 0.00 C ATOM 347 O ARG A 23 7.253 -7.705 -5.842 1.00 0.00 O ATOM 348 CB ARG A 23 5.218 -7.445 -3.327 1.00 0.00 C ATOM 349 CG ARG A 23 5.169 -7.326 -1.816 1.00 0.00 C ATOM 350 CD ARG A 23 4.045 -8.216 -1.279 1.00 0.00 C ATOM 351 NE ARG A 23 4.395 -9.650 -1.514 1.00 0.00 N ATOM 352 CZ ARG A 23 3.443 -10.554 -1.541 1.00 0.00 C ATOM 353 NH1 ARG A 23 2.203 -10.178 -1.364 1.00 0.00 N ATOM 354 NH2 ARG A 23 3.766 -11.804 -1.738 1.00 0.00 N ATOM 0 H ARG A 23 5.364 -4.944 -3.068 1.00 0.00 H new ATOM 0 HA ARG A 23 7.334 -6.906 -3.412 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.282 -7.087 -3.756 1.00 0.00 H new ATOM 0 HB3 ARG A 23 5.319 -8.492 -3.612 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.124 -7.625 -1.384 1.00 0.00 H new ATOM 0 HG3 ARG A 23 4.999 -6.289 -1.526 1.00 0.00 H new ATOM 0 HD2 ARG A 23 3.900 -8.035 -0.214 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.105 -7.973 -1.775 1.00 0.00 H new ATOM 0 HE ARG A 23 5.367 -9.925 -1.653 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.986 -9.194 -1.208 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.453 -10.869 -1.382 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.744 -12.064 -1.868 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.040 -12.521 -1.762 1.00 0.00 H new ATOM 368 N GLU A 24 5.588 -6.267 -6.094 1.00 0.00 N ATOM 369 CA GLU A 24 5.545 -6.461 -7.562 1.00 0.00 C ATOM 370 C GLU A 24 6.740 -5.785 -8.207 1.00 0.00 C ATOM 371 O GLU A 24 6.728 -5.485 -9.389 1.00 0.00 O ATOM 372 CB GLU A 24 4.254 -5.812 -8.100 1.00 0.00 C ATOM 373 CG GLU A 24 3.044 -6.601 -7.598 1.00 0.00 C ATOM 374 CD GLU A 24 1.772 -6.029 -8.228 1.00 0.00 C ATOM 375 OE1 GLU A 24 1.854 -4.903 -8.689 1.00 0.00 O ATOM 376 OE2 GLU A 24 0.789 -6.751 -8.209 1.00 0.00 O ATOM 0 H GLU A 24 4.906 -5.605 -5.723 1.00 0.00 H new ATOM 0 HA GLU A 24 5.567 -7.526 -7.793 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.189 -4.775 -7.769 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.267 -5.799 -9.190 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.150 -7.655 -7.856 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.983 -6.544 -6.511 1.00 0.00 H new ATOM 383 N GLU A 25 7.756 -5.557 -7.407 1.00 0.00 N ATOM 384 CA GLU A 25 8.979 -4.904 -7.903 1.00 0.00 C ATOM 385 C GLU A 25 10.195 -5.429 -7.129 1.00 0.00 C ATOM 386 O GLU A 25 11.310 -5.365 -7.611 1.00 0.00 O ATOM 387 CB GLU A 25 8.784 -3.346 -7.703 1.00 0.00 C ATOM 388 CG GLU A 25 9.890 -2.740 -6.809 1.00 0.00 C ATOM 389 CD GLU A 25 9.677 -1.228 -6.679 1.00 0.00 C ATOM 390 OE1 GLU A 25 8.605 -0.796 -7.065 1.00 0.00 O ATOM 391 OE2 GLU A 25 10.602 -0.592 -6.204 1.00 0.00 O ATOM 0 H GLU A 25 7.776 -5.805 -6.418 1.00 0.00 H new ATOM 0 HA GLU A 25 9.154 -5.120 -8.957 1.00 0.00 H new ATOM 0 HB2 GLU A 25 8.790 -2.851 -8.674 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.809 -3.156 -7.254 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.871 -3.206 -5.824 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.871 -2.943 -7.239 1.00 0.00 H new ATOM 398 N HIS A 26 9.934 -5.956 -5.945 1.00 0.00 N ATOM 399 CA HIS A 26 11.032 -6.503 -5.091 1.00 0.00 C ATOM 400 C HIS A 26 11.166 -8.022 -5.279 1.00 0.00 C ATOM 401 O HIS A 26 12.251 -8.532 -5.341 1.00 0.00 O ATOM 402 CB HIS A 26 10.667 -6.170 -3.609 1.00 0.00 C ATOM 403 CG HIS A 26 11.248 -7.218 -2.636 1.00 0.00 C ATOM 404 ND1 HIS A 26 12.149 -7.001 -1.803 1.00 0.00 N ATOM 405 CD2 HIS A 26 10.905 -8.542 -2.465 1.00 0.00 C ATOM 406 CE1 HIS A 26 12.413 -8.041 -1.124 1.00 0.00 C ATOM 407 NE2 HIS A 26 11.668 -9.078 -1.478 1.00 0.00 N ATOM 0 H HIS A 26 9.001 -6.027 -5.539 1.00 0.00 H new ATOM 0 HA HIS A 26 11.988 -6.059 -5.368 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.049 -5.182 -3.352 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.583 -6.131 -3.500 1.00 0.00 H new ATOM 0 HD1 HIS A 26 12.615 -6.102 -1.682 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.149 -9.070 -3.027 1.00 0.00 H new ATOM 0 HE1 HIS A 26 13.161 -8.076 -0.345 1.00 0.00 H new ATOM 415 N LYS A 27 10.057 -8.704 -5.376 1.00 0.00 N ATOM 416 CA LYS A 27 10.122 -10.186 -5.555 1.00 0.00 C ATOM 417 C LYS A 27 10.987 -10.577 -6.745 1.00 0.00 C ATOM 418 O LYS A 27 11.490 -11.684 -6.802 1.00 0.00 O ATOM 419 CB LYS A 27 8.697 -10.715 -5.795 1.00 0.00 C ATOM 420 CG LYS A 27 8.741 -12.252 -5.904 1.00 0.00 C ATOM 421 CD LYS A 27 7.322 -12.835 -5.708 1.00 0.00 C ATOM 422 CE LYS A 27 7.041 -13.038 -4.208 1.00 0.00 C ATOM 423 NZ LYS A 27 5.572 -13.073 -3.959 1.00 0.00 N ATOM 0 H LYS A 27 9.118 -8.307 -5.340 1.00 0.00 H new ATOM 0 HA LYS A 27 10.563 -10.616 -4.656 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.042 -10.415 -4.977 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.285 -10.285 -6.708 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.133 -12.545 -6.878 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.418 -12.659 -5.153 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.580 -12.162 -6.138 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.234 -13.785 -6.235 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.497 -13.968 -3.868 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.495 -12.231 -3.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.386 -13.535 -3.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.200 -12.102 -3.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.104 -13.607 -4.719 1.00 0.00 H new ATOM 437 N LYS A 28 11.155 -9.662 -7.664 1.00 0.00 N ATOM 438 CA LYS A 28 11.991 -9.962 -8.872 1.00 0.00 C ATOM 439 C LYS A 28 13.477 -9.707 -8.622 1.00 0.00 C ATOM 440 O LYS A 28 14.308 -10.527 -8.966 1.00 0.00 O ATOM 441 CB LYS A 28 11.532 -9.039 -10.014 1.00 0.00 C ATOM 442 CG LYS A 28 10.032 -9.231 -10.243 1.00 0.00 C ATOM 443 CD LYS A 28 9.572 -8.325 -11.386 1.00 0.00 C ATOM 444 CE LYS A 28 8.076 -8.545 -11.625 1.00 0.00 C ATOM 445 NZ LYS A 28 7.280 -8.026 -10.474 1.00 0.00 N ATOM 0 H LYS A 28 10.754 -8.725 -7.634 1.00 0.00 H new ATOM 0 HA LYS A 28 11.864 -11.016 -9.119 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.744 -7.999 -9.765 1.00 0.00 H new ATOM 0 HB3 LYS A 28 12.084 -9.267 -10.926 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.820 -10.273 -10.483 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.481 -8.995 -9.333 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.764 -7.281 -11.139 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.135 -8.547 -12.293 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.771 -8.042 -12.542 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.876 -9.608 -11.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.266 -8.106 -10.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.498 -8.582 -9.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.521 -7.028 -10.307 1.00 0.00 H new ATOM 459 N LYS A 29 13.782 -8.575 -8.016 1.00 0.00 N ATOM 460 CA LYS A 29 15.210 -8.232 -7.731 1.00 0.00 C ATOM 461 C LYS A 29 15.676 -8.813 -6.372 1.00 0.00 C ATOM 462 O LYS A 29 16.853 -8.778 -6.061 1.00 0.00 O ATOM 463 CB LYS A 29 15.321 -6.676 -7.752 1.00 0.00 C ATOM 464 CG LYS A 29 16.660 -6.220 -7.138 1.00 0.00 C ATOM 465 CD LYS A 29 16.918 -4.730 -7.485 1.00 0.00 C ATOM 466 CE LYS A 29 17.616 -4.612 -8.857 1.00 0.00 C ATOM 467 NZ LYS A 29 19.013 -5.121 -8.783 1.00 0.00 N ATOM 0 H LYS A 29 13.101 -7.880 -7.710 1.00 0.00 H new ATOM 0 HA LYS A 29 15.863 -8.672 -8.485 1.00 0.00 H new ATOM 0 HB2 LYS A 29 15.243 -6.314 -8.777 1.00 0.00 H new ATOM 0 HB3 LYS A 29 14.492 -6.239 -7.195 1.00 0.00 H new ATOM 0 HG2 LYS A 29 16.638 -6.352 -6.056 1.00 0.00 H new ATOM 0 HG3 LYS A 29 17.474 -6.837 -7.518 1.00 0.00 H new ATOM 0 HD2 LYS A 29 15.974 -4.185 -7.501 1.00 0.00 H new ATOM 0 HD3 LYS A 29 17.537 -4.272 -6.714 1.00 0.00 H new ATOM 0 HE2 LYS A 29 17.058 -5.176 -9.604 1.00 0.00 H new ATOM 0 HE3 LYS A 29 17.620 -3.571 -9.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 19.573 -4.711 -9.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 19.433 -4.850 -7.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 19.010 -6.157 -8.869 1.00 0.00 H new ATOM 481 N HIS A 30 14.726 -9.392 -5.612 1.00 0.00 N ATOM 482 CA HIS A 30 15.072 -10.001 -4.252 1.00 0.00 C ATOM 483 C HIS A 30 14.584 -11.472 -4.144 1.00 0.00 C ATOM 484 O HIS A 30 13.828 -11.802 -3.248 1.00 0.00 O ATOM 485 CB HIS A 30 14.326 -9.234 -3.117 1.00 0.00 C ATOM 486 CG HIS A 30 14.646 -7.741 -3.110 1.00 0.00 C ATOM 487 ND1 HIS A 30 14.962 -7.094 -2.090 1.00 0.00 N ATOM 488 CD2 HIS A 30 14.570 -6.817 -4.120 1.00 0.00 C ATOM 489 CE1 HIS A 30 15.090 -5.864 -2.339 1.00 0.00 C ATOM 490 NE2 HIS A 30 14.864 -5.583 -3.620 1.00 0.00 N ATOM 0 H HIS A 30 13.743 -9.465 -5.876 1.00 0.00 H new ATOM 0 HA HIS A 30 16.156 -9.940 -4.154 1.00 0.00 H new ATOM 0 HB2 HIS A 30 13.251 -9.371 -3.236 1.00 0.00 H new ATOM 0 HB3 HIS A 30 14.597 -9.665 -2.153 1.00 0.00 H new ATOM 0 HD2 HIS A 30 14.318 -7.032 -5.148 1.00 0.00 H new ATOM 0 HE1 HIS A 30 15.353 -5.124 -1.598 1.00 0.00 H new ATOM 0 HE2 HIS A 30 14.901 -4.684 -4.100 1.00 0.00 H new ATOM 498 N PRO A 31 15.018 -12.335 -5.046 1.00 0.00 N ATOM 499 CA PRO A 31 14.595 -13.744 -5.003 1.00 0.00 C ATOM 500 C PRO A 31 15.109 -14.465 -3.748 1.00 0.00 C ATOM 501 O PRO A 31 14.566 -15.478 -3.349 1.00 0.00 O ATOM 502 CB PRO A 31 15.225 -14.383 -6.281 1.00 0.00 C ATOM 503 CG PRO A 31 16.212 -13.325 -6.879 1.00 0.00 C ATOM 504 CD PRO A 31 15.918 -11.981 -6.158 1.00 0.00 C ATOM 0 HA PRO A 31 13.509 -13.827 -4.971 1.00 0.00 H new ATOM 0 HB2 PRO A 31 15.751 -15.305 -6.033 1.00 0.00 H new ATOM 0 HB3 PRO A 31 14.452 -14.642 -7.004 1.00 0.00 H new ATOM 0 HG2 PRO A 31 17.247 -13.630 -6.723 1.00 0.00 H new ATOM 0 HG3 PRO A 31 16.068 -13.226 -7.955 1.00 0.00 H new ATOM 0 HD2 PRO A 31 16.836 -11.520 -5.792 1.00 0.00 H new ATOM 0 HD3 PRO A 31 15.449 -11.265 -6.833 1.00 0.00 H new ATOM 512 N ASP A 32 16.130 -13.927 -3.156 1.00 0.00 N ATOM 513 CA ASP A 32 16.701 -14.562 -1.929 1.00 0.00 C ATOM 514 C ASP A 32 15.902 -14.218 -0.681 1.00 0.00 C ATOM 515 O ASP A 32 15.604 -15.076 0.128 1.00 0.00 O ATOM 516 CB ASP A 32 18.131 -14.036 -1.753 1.00 0.00 C ATOM 517 CG ASP A 32 18.888 -14.189 -3.074 1.00 0.00 C ATOM 518 OD1 ASP A 32 18.718 -15.236 -3.676 1.00 0.00 O ATOM 519 OD2 ASP A 32 19.590 -13.249 -3.406 1.00 0.00 O ATOM 0 H ASP A 32 16.599 -13.075 -3.463 1.00 0.00 H new ATOM 0 HA ASP A 32 16.674 -15.645 -2.054 1.00 0.00 H new ATOM 0 HB2 ASP A 32 18.112 -12.989 -1.450 1.00 0.00 H new ATOM 0 HB3 ASP A 32 18.640 -14.587 -0.962 1.00 0.00 H new ATOM 524 N ALA A 33 15.577 -12.977 -0.547 1.00 0.00 N ATOM 525 CA ALA A 33 14.800 -12.542 0.638 1.00 0.00 C ATOM 526 C ALA A 33 13.473 -13.287 0.753 1.00 0.00 C ATOM 527 O ALA A 33 13.018 -13.573 1.841 1.00 0.00 O ATOM 528 CB ALA A 33 14.509 -11.044 0.498 1.00 0.00 C ATOM 0 H ALA A 33 15.815 -12.237 -1.208 1.00 0.00 H new ATOM 0 HA ALA A 33 15.386 -12.757 1.531 1.00 0.00 H new ATOM 0 HB1 ALA A 33 13.937 -10.702 1.361 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.449 -10.494 0.445 1.00 0.00 H new ATOM 0 HB3 ALA A 33 13.934 -10.868 -0.411 1.00 0.00 H new ATOM 534 N SER A 34 12.875 -13.581 -0.367 1.00 0.00 N ATOM 535 CA SER A 34 11.578 -14.304 -0.337 1.00 0.00 C ATOM 536 C SER A 34 10.556 -13.552 0.518 1.00 0.00 C ATOM 537 O SER A 34 9.491 -14.060 0.793 1.00 0.00 O ATOM 538 CB SER A 34 11.809 -15.708 0.262 1.00 0.00 C ATOM 539 OG SER A 34 13.113 -16.057 -0.169 1.00 0.00 O ATOM 0 H SER A 34 13.227 -13.353 -1.297 1.00 0.00 H new ATOM 0 HA SER A 34 11.189 -14.379 -1.352 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.739 -15.694 1.350 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.067 -16.421 -0.096 1.00 0.00 H new ATOM 0 HG SER A 34 13.344 -16.946 0.173 1.00 0.00 H new ATOM 545 N VAL A 35 10.914 -12.345 0.910 1.00 0.00 N ATOM 546 CA VAL A 35 10.001 -11.509 1.750 1.00 0.00 C ATOM 547 C VAL A 35 9.430 -12.290 2.939 1.00 0.00 C ATOM 548 O VAL A 35 8.354 -12.858 2.862 1.00 0.00 O ATOM 549 CB VAL A 35 8.845 -11.021 0.858 1.00 0.00 C ATOM 550 CG1 VAL A 35 7.869 -10.155 1.687 1.00 0.00 C ATOM 551 CG2 VAL A 35 9.422 -10.186 -0.284 1.00 0.00 C ATOM 0 H VAL A 35 11.805 -11.906 0.680 1.00 0.00 H new ATOM 0 HA VAL A 35 10.571 -10.674 2.156 1.00 0.00 H new ATOM 0 HB VAL A 35 8.305 -11.879 0.458 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.054 -9.813 1.049 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.464 -10.747 2.507 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.400 -9.293 2.090 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.612 -9.835 -0.923 1.00 0.00 H new ATOM 0 HG22 VAL A 35 9.958 -9.330 0.126 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.108 -10.797 -0.871 1.00 0.00 H new ATOM 561 N ASN A 36 10.157 -12.284 4.032 1.00 0.00 N ATOM 562 CA ASN A 36 9.680 -13.018 5.238 1.00 0.00 C ATOM 563 C ASN A 36 8.670 -12.183 6.024 1.00 0.00 C ATOM 564 O ASN A 36 8.330 -12.519 7.141 1.00 0.00 O ATOM 565 CB ASN A 36 10.893 -13.290 6.142 1.00 0.00 C ATOM 566 CG ASN A 36 12.038 -13.854 5.299 1.00 0.00 C ATOM 567 OD1 ASN A 36 11.958 -14.946 4.770 1.00 0.00 O ATOM 568 ND2 ASN A 36 13.123 -13.143 5.150 1.00 0.00 N ATOM 0 H ASN A 36 11.052 -11.806 4.137 1.00 0.00 H new ATOM 0 HA ASN A 36 9.199 -13.944 4.923 1.00 0.00 H new ATOM 0 HB2 ASN A 36 11.208 -12.370 6.634 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.624 -13.995 6.928 1.00 0.00 H new ATOM 0 HD21 ASN A 36 13.897 -13.504 4.593 1.00 0.00 H new ATOM 0 HD22 ASN A 36 13.197 -12.226 5.591 1.00 0.00 H new ATOM 575 N PHE A 37 8.207 -11.110 5.413 1.00 0.00 N ATOM 576 CA PHE A 37 7.214 -10.225 6.098 1.00 0.00 C ATOM 577 C PHE A 37 7.693 -9.873 7.509 1.00 0.00 C ATOM 578 O PHE A 37 6.985 -10.017 8.486 1.00 0.00 O ATOM 579 CB PHE A 37 5.847 -10.952 6.147 1.00 0.00 C ATOM 580 CG PHE A 37 5.206 -10.873 4.760 1.00 0.00 C ATOM 581 CD1 PHE A 37 4.758 -9.657 4.266 1.00 0.00 C ATOM 582 CD2 PHE A 37 5.093 -12.001 3.966 1.00 0.00 C ATOM 583 CE1 PHE A 37 4.209 -9.574 3.004 1.00 0.00 C ATOM 584 CE2 PHE A 37 4.543 -11.911 2.701 1.00 0.00 C ATOM 585 CZ PHE A 37 4.102 -10.697 2.223 1.00 0.00 C ATOM 0 H PHE A 37 8.475 -10.815 4.474 1.00 0.00 H new ATOM 0 HA PHE A 37 7.108 -9.293 5.542 1.00 0.00 H new ATOM 0 HB2 PHE A 37 5.981 -11.992 6.444 1.00 0.00 H new ATOM 0 HB3 PHE A 37 5.198 -10.490 6.891 1.00 0.00 H new ATOM 0 HD1 PHE A 37 4.840 -8.768 4.874 1.00 0.00 H new ATOM 0 HD2 PHE A 37 5.436 -12.956 4.336 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.862 -8.622 2.629 1.00 0.00 H new ATOM 0 HE2 PHE A 37 4.459 -12.795 2.086 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.672 -10.629 1.234 1.00 0.00 H new ATOM 595 N SER A 38 8.908 -9.419 7.566 1.00 0.00 N ATOM 596 CA SER A 38 9.513 -9.038 8.860 1.00 0.00 C ATOM 597 C SER A 38 10.846 -8.376 8.594 1.00 0.00 C ATOM 598 O SER A 38 11.607 -8.095 9.498 1.00 0.00 O ATOM 599 CB SER A 38 9.745 -10.311 9.691 1.00 0.00 C ATOM 600 OG SER A 38 10.303 -11.229 8.761 1.00 0.00 O ATOM 0 H SER A 38 9.515 -9.295 6.756 1.00 0.00 H new ATOM 0 HA SER A 38 8.856 -8.355 9.399 1.00 0.00 H new ATOM 0 HB2 SER A 38 10.422 -10.126 10.525 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.814 -10.687 10.114 1.00 0.00 H new ATOM 0 HG SER A 38 9.583 -11.733 8.326 1.00 0.00 H new ATOM 606 N GLU A 39 11.087 -8.140 7.326 1.00 0.00 N ATOM 607 CA GLU A 39 12.352 -7.498 6.896 1.00 0.00 C ATOM 608 C GLU A 39 12.127 -6.733 5.600 1.00 0.00 C ATOM 609 O GLU A 39 12.941 -5.925 5.195 1.00 0.00 O ATOM 610 CB GLU A 39 13.371 -8.617 6.627 1.00 0.00 C ATOM 611 CG GLU A 39 13.815 -9.230 7.958 1.00 0.00 C ATOM 612 CD GLU A 39 15.044 -10.109 7.723 1.00 0.00 C ATOM 613 OE1 GLU A 39 14.857 -11.150 7.114 1.00 0.00 O ATOM 614 OE2 GLU A 39 16.101 -9.691 8.168 1.00 0.00 O ATOM 0 H GLU A 39 10.446 -8.371 6.567 1.00 0.00 H new ATOM 0 HA GLU A 39 12.705 -6.811 7.665 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.927 -9.383 5.991 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.233 -8.218 6.092 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.048 -8.443 8.675 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.007 -9.822 8.387 1.00 0.00 H new ATOM 621 N PHE A 40 11.005 -7.013 4.985 1.00 0.00 N ATOM 622 CA PHE A 40 10.642 -6.353 3.709 1.00 0.00 C ATOM 623 C PHE A 40 9.894 -5.042 3.947 1.00 0.00 C ATOM 624 O PHE A 40 10.300 -4.018 3.465 1.00 0.00 O ATOM 625 CB PHE A 40 9.746 -7.329 2.952 1.00 0.00 C ATOM 626 CG PHE A 40 9.212 -6.676 1.684 1.00 0.00 C ATOM 627 CD1 PHE A 40 10.079 -6.214 0.708 1.00 0.00 C ATOM 628 CD2 PHE A 40 7.854 -6.561 1.479 1.00 0.00 C ATOM 629 CE1 PHE A 40 9.587 -5.654 -0.444 1.00 0.00 C ATOM 630 CE2 PHE A 40 7.369 -6.006 0.335 1.00 0.00 C ATOM 631 CZ PHE A 40 8.226 -5.552 -0.634 1.00 0.00 C ATOM 0 H PHE A 40 10.317 -7.685 5.326 1.00 0.00 H new ATOM 0 HA PHE A 40 11.542 -6.107 3.145 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.308 -8.228 2.698 1.00 0.00 H new ATOM 0 HB3 PHE A 40 8.916 -7.640 3.587 1.00 0.00 H new ATOM 0 HD1 PHE A 40 11.146 -6.295 0.854 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.168 -6.915 2.234 1.00 0.00 H new ATOM 0 HE1 PHE A 40 10.267 -5.293 -1.202 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.302 -5.923 0.190 1.00 0.00 H new ATOM 0 HZ PHE A 40 7.836 -5.116 -1.542 1.00 0.00 H new ATOM 641 N SER A 41 8.783 -5.107 4.639 1.00 0.00 N ATOM 642 CA SER A 41 8.022 -3.857 4.903 1.00 0.00 C ATOM 643 C SER A 41 8.937 -2.837 5.552 1.00 0.00 C ATOM 644 O SER A 41 8.630 -1.670 5.606 1.00 0.00 O ATOM 645 CB SER A 41 6.865 -4.175 5.866 1.00 0.00 C ATOM 646 OG SER A 41 6.063 -5.107 5.153 1.00 0.00 O ATOM 0 H SER A 41 8.379 -5.960 5.025 1.00 0.00 H new ATOM 0 HA SER A 41 7.634 -3.457 3.966 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.231 -4.598 6.802 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.301 -3.278 6.121 1.00 0.00 H new ATOM 0 HG SER A 41 5.295 -5.366 5.704 1.00 0.00 H new ATOM 652 N LYS A 42 10.049 -3.303 6.050 1.00 0.00 N ATOM 653 CA LYS A 42 10.983 -2.374 6.689 1.00 0.00 C ATOM 654 C LYS A 42 11.493 -1.394 5.644 1.00 0.00 C ATOM 655 O LYS A 42 11.716 -0.231 5.924 1.00 0.00 O ATOM 656 CB LYS A 42 12.169 -3.188 7.257 1.00 0.00 C ATOM 657 CG LYS A 42 12.836 -2.394 8.392 1.00 0.00 C ATOM 658 CD LYS A 42 14.242 -2.958 8.658 1.00 0.00 C ATOM 659 CE LYS A 42 14.169 -4.486 8.810 1.00 0.00 C ATOM 660 NZ LYS A 42 15.378 -4.998 9.513 1.00 0.00 N ATOM 0 H LYS A 42 10.338 -4.281 6.036 1.00 0.00 H new ATOM 0 HA LYS A 42 10.490 -1.826 7.492 1.00 0.00 H new ATOM 0 HB2 LYS A 42 11.819 -4.151 7.629 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.893 -3.395 6.469 1.00 0.00 H new ATOM 0 HG2 LYS A 42 12.901 -1.340 8.123 1.00 0.00 H new ATOM 0 HG3 LYS A 42 12.231 -2.455 9.297 1.00 0.00 H new ATOM 0 HD2 LYS A 42 14.910 -2.696 7.838 1.00 0.00 H new ATOM 0 HD3 LYS A 42 14.658 -2.513 9.562 1.00 0.00 H new ATOM 0 HE2 LYS A 42 13.273 -4.760 9.368 1.00 0.00 H new ATOM 0 HE3 LYS A 42 14.087 -4.952 7.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 15.313 -6.032 9.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 16.228 -4.753 8.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 15.439 -4.567 10.458 1.00 0.00 H new ATOM 674 N LYS A 43 11.664 -1.897 4.443 1.00 0.00 N ATOM 675 CA LYS A 43 12.153 -1.040 3.345 1.00 0.00 C ATOM 676 C LYS A 43 11.026 -0.169 2.792 1.00 0.00 C ATOM 677 O LYS A 43 11.204 1.017 2.594 1.00 0.00 O ATOM 678 CB LYS A 43 12.694 -1.954 2.213 1.00 0.00 C ATOM 679 CG LYS A 43 14.145 -2.340 2.519 1.00 0.00 C ATOM 680 CD LYS A 43 14.213 -3.006 3.894 1.00 0.00 C ATOM 681 CE LYS A 43 15.593 -3.642 4.075 1.00 0.00 C ATOM 682 NZ LYS A 43 15.683 -4.328 5.393 1.00 0.00 N ATOM 0 H LYS A 43 11.482 -2.868 4.188 1.00 0.00 H new ATOM 0 HA LYS A 43 12.939 -0.386 3.724 1.00 0.00 H new ATOM 0 HB2 LYS A 43 12.078 -2.849 2.128 1.00 0.00 H new ATOM 0 HB3 LYS A 43 12.638 -1.437 1.255 1.00 0.00 H new ATOM 0 HG2 LYS A 43 14.521 -3.020 1.754 1.00 0.00 H new ATOM 0 HG3 LYS A 43 14.781 -1.455 2.499 1.00 0.00 H new ATOM 0 HD2 LYS A 43 14.033 -2.270 4.678 1.00 0.00 H new ATOM 0 HD3 LYS A 43 13.435 -3.764 3.983 1.00 0.00 H new ATOM 0 HE2 LYS A 43 15.778 -4.357 3.273 1.00 0.00 H new ATOM 0 HE3 LYS A 43 16.365 -2.876 4.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 16.490 -4.984 5.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 15.816 -3.621 6.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 14.806 -4.859 5.569 1.00 0.00 H new ATOM 696 N CYS A 44 9.879 -0.762 2.547 1.00 0.00 N ATOM 697 CA CYS A 44 8.772 0.034 2.014 1.00 0.00 C ATOM 698 C CYS A 44 8.409 1.165 2.963 1.00 0.00 C ATOM 699 O CYS A 44 8.198 2.287 2.547 1.00 0.00 O ATOM 700 CB CYS A 44 7.582 -0.886 1.858 1.00 0.00 C ATOM 701 SG CYS A 44 7.672 -2.148 0.570 1.00 0.00 S ATOM 0 H CYS A 44 9.681 -1.751 2.697 1.00 0.00 H new ATOM 0 HA CYS A 44 9.062 0.474 1.060 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.417 -1.388 2.811 1.00 0.00 H new ATOM 0 HB3 CYS A 44 6.703 -0.271 1.666 1.00 0.00 H new ATOM 0 HG CYS A 44 7.989 -3.291 1.103 1.00 0.00 H new ATOM 707 N SER A 45 8.340 0.844 4.217 1.00 0.00 N ATOM 708 CA SER A 45 7.993 1.886 5.228 1.00 0.00 C ATOM 709 C SER A 45 8.938 3.059 5.112 1.00 0.00 C ATOM 710 O SER A 45 8.523 4.198 5.032 1.00 0.00 O ATOM 711 CB SER A 45 8.145 1.282 6.639 1.00 0.00 C ATOM 712 OG SER A 45 7.814 2.349 7.509 1.00 0.00 O ATOM 0 H SER A 45 8.507 -0.090 4.592 1.00 0.00 H new ATOM 0 HA SER A 45 6.970 2.221 5.056 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.480 0.430 6.782 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.160 0.926 6.813 1.00 0.00 H new ATOM 0 HG SER A 45 7.884 2.047 8.439 1.00 0.00 H new ATOM 718 N GLU A 46 10.197 2.760 5.111 1.00 0.00 N ATOM 719 CA GLU A 46 11.196 3.833 5.001 1.00 0.00 C ATOM 720 C GLU A 46 11.093 4.528 3.648 1.00 0.00 C ATOM 721 O GLU A 46 11.633 5.603 3.463 1.00 0.00 O ATOM 722 CB GLU A 46 12.593 3.193 5.142 1.00 0.00 C ATOM 723 CG GLU A 46 13.599 4.266 5.552 1.00 0.00 C ATOM 724 CD GLU A 46 14.968 3.621 5.795 1.00 0.00 C ATOM 725 OE1 GLU A 46 15.062 2.431 5.537 1.00 0.00 O ATOM 726 OE2 GLU A 46 15.842 4.355 6.226 1.00 0.00 O ATOM 0 H GLU A 46 10.575 1.815 5.182 1.00 0.00 H new ATOM 0 HA GLU A 46 11.025 4.576 5.780 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.568 2.398 5.887 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.894 2.737 4.199 1.00 0.00 H new ATOM 0 HG2 GLU A 46 13.676 5.024 4.772 1.00 0.00 H new ATOM 0 HG3 GLU A 46 13.259 4.772 6.455 1.00 0.00 H new ATOM 733 N ARG A 47 10.378 3.890 2.730 1.00 0.00 N ATOM 734 CA ARG A 47 10.195 4.457 1.355 1.00 0.00 C ATOM 735 C ARG A 47 8.799 5.069 1.173 1.00 0.00 C ATOM 736 O ARG A 47 8.544 5.728 0.187 1.00 0.00 O ATOM 737 CB ARG A 47 10.368 3.297 0.346 1.00 0.00 C ATOM 738 CG ARG A 47 10.673 3.864 -1.048 1.00 0.00 C ATOM 739 CD ARG A 47 11.149 2.730 -1.953 1.00 0.00 C ATOM 740 NE ARG A 47 11.224 3.238 -3.349 1.00 0.00 N ATOM 741 CZ ARG A 47 11.792 2.509 -4.270 1.00 0.00 C ATOM 742 NH1 ARG A 47 12.281 1.343 -3.944 1.00 0.00 N ATOM 743 NH2 ARG A 47 11.860 2.975 -5.487 1.00 0.00 N ATOM 0 H ARG A 47 9.914 2.995 2.885 1.00 0.00 H new ATOM 0 HA ARG A 47 10.928 5.248 1.196 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.177 2.641 0.667 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.461 2.693 0.313 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.782 4.332 -1.467 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.438 4.638 -0.981 1.00 0.00 H new ATOM 0 HD2 ARG A 47 12.125 2.371 -1.628 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.463 1.885 -1.894 1.00 0.00 H new ATOM 0 HE ARG A 47 10.834 4.150 -3.585 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.216 1.014 -2.981 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.728 0.761 -4.653 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.473 3.894 -5.704 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.300 2.421 -6.221 1.00 0.00 H new ATOM 757 N TRP A 48 7.928 4.831 2.140 1.00 0.00 N ATOM 758 CA TRP A 48 6.525 5.379 2.075 1.00 0.00 C ATOM 759 C TRP A 48 6.368 6.637 2.943 1.00 0.00 C ATOM 760 O TRP A 48 6.076 7.703 2.441 1.00 0.00 O ATOM 761 CB TRP A 48 5.611 4.246 2.596 1.00 0.00 C ATOM 762 CG TRP A 48 4.312 4.779 3.212 1.00 0.00 C ATOM 763 CD1 TRP A 48 4.155 4.978 4.500 1.00 0.00 C ATOM 764 CD2 TRP A 48 3.172 4.916 2.569 1.00 0.00 C ATOM 765 NE1 TRP A 48 2.839 5.230 4.627 1.00 0.00 N ATOM 766 CE2 TRP A 48 2.142 5.206 3.442 1.00 0.00 C ATOM 767 CE3 TRP A 48 2.914 4.807 1.222 1.00 0.00 C ATOM 768 CZ2 TRP A 48 0.856 5.368 2.972 1.00 0.00 C ATOM 769 CZ3 TRP A 48 1.616 4.977 0.749 1.00 0.00 C ATOM 770 CH2 TRP A 48 0.593 5.255 1.629 1.00 0.00 C ATOM 0 H TRP A 48 8.132 4.279 2.973 1.00 0.00 H new ATOM 0 HA TRP A 48 6.270 5.678 1.058 1.00 0.00 H new ATOM 0 HB2 TRP A 48 5.370 3.571 1.775 1.00 0.00 H new ATOM 0 HB3 TRP A 48 6.150 3.662 3.342 1.00 0.00 H new ATOM 0 HD1 TRP A 48 4.906 4.947 5.276 1.00 0.00 H new ATOM 0 HE1 TRP A 48 2.396 5.422 5.526 1.00 0.00 H new ATOM 0 HE3 TRP A 48 3.717 4.590 0.533 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 0.054 5.584 3.662 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 1.411 4.891 -0.308 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -0.415 5.384 1.263 1.00 0.00 H new ATOM 781 N LYS A 49 6.548 6.470 4.217 1.00 0.00 N ATOM 782 CA LYS A 49 6.419 7.637 5.167 1.00 0.00 C ATOM 783 C LYS A 49 7.214 8.866 4.662 1.00 0.00 C ATOM 784 O LYS A 49 6.993 9.977 5.107 1.00 0.00 O ATOM 785 CB LYS A 49 7.014 7.197 6.559 1.00 0.00 C ATOM 786 CG LYS A 49 5.885 6.782 7.544 1.00 0.00 C ATOM 787 CD LYS A 49 6.409 6.855 8.989 1.00 0.00 C ATOM 788 CE LYS A 49 7.722 6.072 9.098 1.00 0.00 C ATOM 789 NZ LYS A 49 7.597 4.749 8.426 1.00 0.00 N ATOM 0 H LYS A 49 6.780 5.580 4.657 1.00 0.00 H new ATOM 0 HA LYS A 49 5.368 7.915 5.245 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.702 6.363 6.417 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.591 8.017 6.987 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.024 7.440 7.425 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.546 5.770 7.320 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.568 7.894 9.277 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.670 6.443 9.676 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.532 6.643 8.643 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.982 5.931 10.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.217 4.060 8.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.611 4.423 8.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.875 4.839 7.428 1.00 0.00 H new ATOM 803 N THR A 50 8.106 8.627 3.743 1.00 0.00 N ATOM 804 CA THR A 50 8.935 9.731 3.183 1.00 0.00 C ATOM 805 C THR A 50 8.238 10.488 2.055 1.00 0.00 C ATOM 806 O THR A 50 8.443 11.675 1.888 1.00 0.00 O ATOM 807 CB THR A 50 10.202 9.082 2.622 1.00 0.00 C ATOM 808 OG1 THR A 50 10.672 9.937 1.590 1.00 0.00 O ATOM 809 CG2 THR A 50 9.835 7.779 1.915 1.00 0.00 C ATOM 0 H THR A 50 8.298 7.705 3.352 1.00 0.00 H new ATOM 0 HA THR A 50 9.135 10.455 3.973 1.00 0.00 H new ATOM 0 HB THR A 50 10.921 8.913 3.424 1.00 0.00 H new ATOM 0 HG1 THR A 50 11.488 9.560 1.200 1.00 0.00 H new ATOM 0 HG21 THR A 50 10.737 7.316 1.515 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.363 7.100 2.625 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.143 7.990 1.100 1.00 0.00 H new ATOM 817 N MET A 51 7.457 9.791 1.288 1.00 0.00 N ATOM 818 CA MET A 51 6.751 10.461 0.173 1.00 0.00 C ATOM 819 C MET A 51 5.885 11.602 0.675 1.00 0.00 C ATOM 820 O MET A 51 5.788 11.827 1.868 1.00 0.00 O ATOM 821 CB MET A 51 5.855 9.426 -0.540 1.00 0.00 C ATOM 822 CG MET A 51 6.720 8.252 -1.019 1.00 0.00 C ATOM 823 SD MET A 51 6.002 7.136 -2.255 1.00 0.00 S ATOM 824 CE MET A 51 4.495 6.724 -1.347 1.00 0.00 C ATOM 0 H MET A 51 7.278 8.791 1.385 1.00 0.00 H new ATOM 0 HA MET A 51 7.493 10.870 -0.512 1.00 0.00 H new ATOM 0 HB2 MET A 51 5.081 9.069 0.139 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.348 9.889 -1.387 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.644 8.660 -1.430 1.00 0.00 H new ATOM 0 HG3 MET A 51 6.994 7.658 -0.147 1.00 0.00 H new ATOM 0 HE1 MET A 51 3.980 5.905 -1.849 1.00 0.00 H new ATOM 0 HE2 MET A 51 4.753 6.423 -0.332 1.00 0.00 H new ATOM 0 HE3 MET A 51 3.842 7.596 -1.312 1.00 0.00 H new ATOM 834 N SER A 52 5.257 12.297 -0.259 1.00 0.00 N ATOM 835 CA SER A 52 4.370 13.451 0.103 1.00 0.00 C ATOM 836 C SER A 52 2.913 13.066 -0.081 1.00 0.00 C ATOM 837 O SER A 52 2.613 12.123 -0.785 1.00 0.00 O ATOM 838 CB SER A 52 4.693 14.613 -0.851 1.00 0.00 C ATOM 839 OG SER A 52 3.636 15.535 -0.643 1.00 0.00 O ATOM 0 H SER A 52 5.325 12.109 -1.259 1.00 0.00 H new ATOM 0 HA SER A 52 4.537 13.734 1.142 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.661 15.059 -0.623 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.732 14.279 -1.888 1.00 0.00 H new ATOM 0 HG SER A 52 3.766 16.317 -1.219 1.00 0.00 H new ATOM 845 N ALA A 53 2.034 13.790 0.578 1.00 0.00 N ATOM 846 CA ALA A 53 0.583 13.486 0.455 1.00 0.00 C ATOM 847 C ALA A 53 0.181 13.318 -0.999 1.00 0.00 C ATOM 848 O ALA A 53 -0.817 12.700 -1.303 1.00 0.00 O ATOM 849 CB ALA A 53 -0.213 14.643 1.048 1.00 0.00 C ATOM 0 H ALA A 53 2.265 14.572 1.190 1.00 0.00 H new ATOM 0 HA ALA A 53 0.378 12.556 0.985 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.279 14.432 0.964 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.051 14.766 2.098 1.00 0.00 H new ATOM 0 HB3 ALA A 53 0.019 15.560 0.506 1.00 0.00 H new ATOM 855 N LYS A 54 0.965 13.878 -1.874 1.00 0.00 N ATOM 856 CA LYS A 54 0.638 13.754 -3.306 1.00 0.00 C ATOM 857 C LYS A 54 0.582 12.284 -3.681 1.00 0.00 C ATOM 858 O LYS A 54 -0.442 11.783 -4.126 1.00 0.00 O ATOM 859 CB LYS A 54 1.751 14.437 -4.122 1.00 0.00 C ATOM 860 CG LYS A 54 1.681 15.960 -3.909 1.00 0.00 C ATOM 861 CD LYS A 54 3.023 16.594 -4.303 1.00 0.00 C ATOM 862 CE LYS A 54 3.394 16.159 -5.726 1.00 0.00 C ATOM 863 NZ LYS A 54 2.214 16.263 -6.629 1.00 0.00 N ATOM 0 H LYS A 54 1.808 14.410 -1.657 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.325 14.221 -3.512 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.726 14.060 -3.814 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.638 14.201 -5.180 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.876 16.385 -4.508 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.454 16.182 -2.866 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.954 17.680 -4.249 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.801 16.289 -3.603 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.204 16.783 -6.104 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.761 15.133 -5.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.525 16.569 -7.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.749 15.335 -6.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.542 16.958 -6.244 1.00 0.00 H new ATOM 877 N GLU A 55 1.681 11.605 -3.480 1.00 0.00 N ATOM 878 CA GLU A 55 1.705 10.174 -3.818 1.00 0.00 C ATOM 879 C GLU A 55 0.896 9.383 -2.808 1.00 0.00 C ATOM 880 O GLU A 55 0.120 8.524 -3.173 1.00 0.00 O ATOM 881 CB GLU A 55 3.159 9.680 -3.782 1.00 0.00 C ATOM 882 CG GLU A 55 4.048 10.660 -4.553 1.00 0.00 C ATOM 883 CD GLU A 55 5.389 9.989 -4.864 1.00 0.00 C ATOM 884 OE1 GLU A 55 6.070 9.669 -3.904 1.00 0.00 O ATOM 885 OE2 GLU A 55 5.654 9.832 -6.046 1.00 0.00 O ATOM 0 H GLU A 55 2.548 11.985 -3.100 1.00 0.00 H new ATOM 0 HA GLU A 55 1.277 10.034 -4.810 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.501 9.596 -2.750 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.228 8.685 -4.223 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.557 10.964 -5.478 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.208 11.564 -3.965 1.00 0.00 H new ATOM 892 N LYS A 56 1.063 9.706 -1.545 1.00 0.00 N ATOM 893 CA LYS A 56 0.305 8.970 -0.518 1.00 0.00 C ATOM 894 C LYS A 56 -1.178 9.307 -0.636 1.00 0.00 C ATOM 895 O LYS A 56 -2.007 8.755 0.062 1.00 0.00 O ATOM 896 CB LYS A 56 0.838 9.384 0.877 1.00 0.00 C ATOM 897 CG LYS A 56 2.061 8.529 1.221 1.00 0.00 C ATOM 898 CD LYS A 56 2.636 8.968 2.586 1.00 0.00 C ATOM 899 CE LYS A 56 3.402 10.299 2.460 1.00 0.00 C ATOM 900 NZ LYS A 56 2.524 11.443 2.836 1.00 0.00 N ATOM 0 H LYS A 56 1.684 10.437 -1.199 1.00 0.00 H new ATOM 0 HA LYS A 56 0.429 7.896 -0.655 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.106 10.441 0.879 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.062 9.250 1.631 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.783 7.476 1.255 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.820 8.634 0.445 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.826 9.077 3.308 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.303 8.195 2.969 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.282 10.281 3.103 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.757 10.426 1.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 3.105 12.215 3.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.013 11.779 1.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.840 11.134 3.556 1.00 0.00 H new ATOM 914 N GLY A 57 -1.475 10.216 -1.536 1.00 0.00 N ATOM 915 CA GLY A 57 -2.893 10.628 -1.747 1.00 0.00 C ATOM 916 C GLY A 57 -3.574 9.635 -2.685 1.00 0.00 C ATOM 917 O GLY A 57 -4.712 9.262 -2.488 1.00 0.00 O ATOM 0 H GLY A 57 -0.794 10.688 -2.131 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.419 10.664 -0.793 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.933 11.632 -2.171 1.00 0.00 H new ATOM 921 N LYS A 58 -2.854 9.236 -3.695 1.00 0.00 N ATOM 922 CA LYS A 58 -3.418 8.275 -4.661 1.00 0.00 C ATOM 923 C LYS A 58 -3.500 6.882 -4.006 1.00 0.00 C ATOM 924 O LYS A 58 -4.320 6.055 -4.369 1.00 0.00 O ATOM 925 CB LYS A 58 -2.461 8.300 -5.908 1.00 0.00 C ATOM 926 CG LYS A 58 -2.292 6.906 -6.566 1.00 0.00 C ATOM 927 CD LYS A 58 -1.150 6.122 -5.864 1.00 0.00 C ATOM 928 CE LYS A 58 0.202 6.501 -6.492 1.00 0.00 C ATOM 929 NZ LYS A 58 0.422 5.740 -7.754 1.00 0.00 N ATOM 0 H LYS A 58 -1.899 9.538 -3.887 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.431 8.530 -4.971 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.853 9.000 -6.646 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.483 8.673 -5.602 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.225 6.346 -6.496 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.067 7.020 -7.626 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.143 6.348 -4.798 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.319 5.050 -5.961 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.228 7.571 -6.697 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.008 6.292 -5.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.339 6.007 -8.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.418 4.720 -7.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.338 5.960 -8.429 1.00 0.00 H new ATOM 943 N PHE A 59 -2.685 6.692 -3.008 1.00 0.00 N ATOM 944 CA PHE A 59 -2.670 5.383 -2.291 1.00 0.00 C ATOM 945 C PHE A 59 -3.764 5.397 -1.259 1.00 0.00 C ATOM 946 O PHE A 59 -4.277 4.370 -0.859 1.00 0.00 O ATOM 947 CB PHE A 59 -1.307 5.214 -1.566 1.00 0.00 C ATOM 948 CG PHE A 59 -0.244 4.701 -2.552 1.00 0.00 C ATOM 949 CD1 PHE A 59 -0.400 3.482 -3.185 1.00 0.00 C ATOM 950 CD2 PHE A 59 0.891 5.450 -2.816 1.00 0.00 C ATOM 951 CE1 PHE A 59 0.557 3.025 -4.063 1.00 0.00 C ATOM 952 CE2 PHE A 59 1.844 4.990 -3.693 1.00 0.00 C ATOM 953 CZ PHE A 59 1.677 3.778 -4.318 1.00 0.00 C ATOM 0 H PHE A 59 -2.026 7.387 -2.655 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.817 4.566 -2.998 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -0.991 6.167 -1.142 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.412 4.515 -0.736 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.278 2.884 -2.990 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.028 6.404 -2.328 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.427 2.071 -4.553 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.725 5.582 -3.891 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.425 3.418 -5.009 1.00 0.00 H new ATOM 963 N GLU A 60 -4.099 6.579 -0.845 1.00 0.00 N ATOM 964 CA GLU A 60 -5.151 6.730 0.156 1.00 0.00 C ATOM 965 C GLU A 60 -6.477 6.461 -0.520 1.00 0.00 C ATOM 966 O GLU A 60 -7.429 6.019 0.097 1.00 0.00 O ATOM 967 CB GLU A 60 -5.094 8.203 0.669 1.00 0.00 C ATOM 968 CG GLU A 60 -4.401 8.264 2.048 1.00 0.00 C ATOM 969 CD GLU A 60 -5.423 7.964 3.155 1.00 0.00 C ATOM 970 OE1 GLU A 60 -5.891 6.838 3.171 1.00 0.00 O ATOM 971 OE2 GLU A 60 -5.675 8.879 3.921 1.00 0.00 O ATOM 0 H GLU A 60 -3.678 7.450 -1.168 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.027 6.041 0.992 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.553 8.823 -0.045 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.103 8.609 0.743 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.585 7.542 2.088 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.962 9.250 2.202 1.00 0.00 H new ATOM 978 N ASP A 61 -6.496 6.720 -1.797 1.00 0.00 N ATOM 979 CA ASP A 61 -7.735 6.499 -2.578 1.00 0.00 C ATOM 980 C ASP A 61 -7.862 5.036 -2.959 1.00 0.00 C ATOM 981 O ASP A 61 -8.949 4.544 -3.191 1.00 0.00 O ATOM 982 CB ASP A 61 -7.638 7.341 -3.849 1.00 0.00 C ATOM 983 CG ASP A 61 -9.005 7.385 -4.533 1.00 0.00 C ATOM 984 OD1 ASP A 61 -9.884 7.993 -3.944 1.00 0.00 O ATOM 985 OD2 ASP A 61 -9.094 6.809 -5.604 1.00 0.00 O ATOM 0 H ASP A 61 -5.703 7.076 -2.331 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.605 6.780 -1.985 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -7.308 8.351 -3.605 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.895 6.917 -4.524 1.00 0.00 H new ATOM 990 N MET A 62 -6.741 4.369 -3.039 1.00 0.00 N ATOM 991 CA MET A 62 -6.766 2.941 -3.400 1.00 0.00 C ATOM 992 C MET A 62 -7.189 2.129 -2.201 1.00 0.00 C ATOM 993 O MET A 62 -8.097 1.328 -2.282 1.00 0.00 O ATOM 994 CB MET A 62 -5.346 2.531 -3.849 1.00 0.00 C ATOM 995 CG MET A 62 -5.116 2.981 -5.318 1.00 0.00 C ATOM 996 SD MET A 62 -3.427 3.408 -5.799 1.00 0.00 S ATOM 997 CE MET A 62 -2.670 1.827 -5.374 1.00 0.00 C ATOM 0 H MET A 62 -5.815 4.760 -2.868 1.00 0.00 H new ATOM 0 HA MET A 62 -7.474 2.762 -4.209 1.00 0.00 H new ATOM 0 HB2 MET A 62 -4.601 2.987 -3.197 1.00 0.00 H new ATOM 0 HB3 MET A 62 -5.224 1.451 -3.765 1.00 0.00 H new ATOM 0 HG2 MET A 62 -5.462 2.182 -5.974 1.00 0.00 H new ATOM 0 HG3 MET A 62 -5.750 3.847 -5.509 1.00 0.00 H new ATOM 0 HE1 MET A 62 -1.655 1.792 -5.769 1.00 0.00 H new ATOM 0 HE2 MET A 62 -2.641 1.717 -4.290 1.00 0.00 H new ATOM 0 HE3 MET A 62 -3.256 1.015 -5.805 1.00 0.00 H new ATOM 1007 N ALA A 63 -6.518 2.336 -1.103 1.00 0.00 N ATOM 1008 CA ALA A 63 -6.888 1.578 0.102 1.00 0.00 C ATOM 1009 C ALA A 63 -8.350 1.870 0.422 1.00 0.00 C ATOM 1010 O ALA A 63 -9.032 1.064 1.023 1.00 0.00 O ATOM 1011 CB ALA A 63 -5.984 2.034 1.274 1.00 0.00 C ATOM 0 H ALA A 63 -5.742 2.989 -0.997 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.756 0.508 -0.056 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.248 1.479 2.174 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.940 1.844 1.024 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.126 3.100 1.450 1.00 0.00 H new ATOM 1017 N LYS A 64 -8.807 3.032 0.000 1.00 0.00 N ATOM 1018 CA LYS A 64 -10.207 3.393 0.263 1.00 0.00 C ATOM 1019 C LYS A 64 -11.107 2.567 -0.640 1.00 0.00 C ATOM 1020 O LYS A 64 -12.193 2.167 -0.257 1.00 0.00 O ATOM 1021 CB LYS A 64 -10.408 4.891 -0.047 1.00 0.00 C ATOM 1022 CG LYS A 64 -11.901 5.235 0.063 1.00 0.00 C ATOM 1023 CD LYS A 64 -12.065 6.753 0.195 1.00 0.00 C ATOM 1024 CE LYS A 64 -13.552 7.083 0.347 1.00 0.00 C ATOM 1025 NZ LYS A 64 -13.760 8.558 0.351 1.00 0.00 N ATOM 0 H LYS A 64 -8.262 3.728 -0.509 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.453 3.199 1.307 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.830 5.499 0.649 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.043 5.119 -1.048 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.434 4.876 -0.817 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.338 4.734 0.927 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -11.508 7.118 1.058 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.656 7.253 -0.683 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.116 6.632 -0.469 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.933 6.653 1.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -14.774 8.765 0.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.237 8.980 1.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.414 8.960 -0.544 1.00 0.00 H new ATOM 1039 N ALA A 65 -10.634 2.313 -1.833 1.00 0.00 N ATOM 1040 CA ALA A 65 -11.440 1.523 -2.758 1.00 0.00 C ATOM 1041 C ALA A 65 -11.495 0.103 -2.270 1.00 0.00 C ATOM 1042 O ALA A 65 -12.484 -0.579 -2.425 1.00 0.00 O ATOM 1043 CB ALA A 65 -10.790 1.555 -4.151 1.00 0.00 C ATOM 0 H ALA A 65 -9.730 2.624 -2.188 1.00 0.00 H new ATOM 0 HA ALA A 65 -12.448 1.934 -2.815 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.389 0.966 -4.846 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.734 2.585 -4.503 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.785 1.137 -4.093 1.00 0.00 H new ATOM 1049 N ASP A 66 -10.419 -0.311 -1.672 1.00 0.00 N ATOM 1050 CA ASP A 66 -10.362 -1.684 -1.151 1.00 0.00 C ATOM 1051 C ASP A 66 -11.335 -1.831 0.000 1.00 0.00 C ATOM 1052 O ASP A 66 -11.902 -2.884 0.207 1.00 0.00 O ATOM 1053 CB ASP A 66 -8.934 -1.952 -0.650 1.00 0.00 C ATOM 1054 CG ASP A 66 -8.713 -3.462 -0.516 1.00 0.00 C ATOM 1055 OD1 ASP A 66 -8.492 -4.071 -1.549 1.00 0.00 O ATOM 1056 OD2 ASP A 66 -8.779 -3.919 0.613 1.00 0.00 O ATOM 0 H ASP A 66 -9.579 0.248 -1.525 1.00 0.00 H new ATOM 0 HA ASP A 66 -10.627 -2.394 -1.934 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.208 -1.528 -1.344 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.777 -1.464 0.312 1.00 0.00 H new ATOM 1061 N LYS A 67 -11.495 -0.763 0.745 1.00 0.00 N ATOM 1062 CA LYS A 67 -12.425 -0.808 1.885 1.00 0.00 C ATOM 1063 C LYS A 67 -13.783 -1.266 1.400 1.00 0.00 C ATOM 1064 O LYS A 67 -14.449 -2.047 2.046 1.00 0.00 O ATOM 1065 CB LYS A 67 -12.550 0.613 2.472 1.00 0.00 C ATOM 1066 CG LYS A 67 -13.174 0.536 3.863 1.00 0.00 C ATOM 1067 CD LYS A 67 -13.138 1.928 4.499 1.00 0.00 C ATOM 1068 CE LYS A 67 -13.599 1.832 5.954 1.00 0.00 C ATOM 1069 NZ LYS A 67 -13.918 3.185 6.489 1.00 0.00 N ATOM 0 H LYS A 67 -11.018 0.127 0.603 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.057 -1.498 2.644 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.568 1.083 2.528 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.164 1.235 1.820 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.201 0.178 3.796 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.628 -0.176 4.482 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -12.128 2.336 4.452 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.783 2.610 3.945 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -14.478 1.191 6.022 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -12.819 1.369 6.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -14.229 3.103 7.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -13.070 3.786 6.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -14.677 3.613 5.921 1.00 0.00 H new ATOM 1083 N ALA A 68 -14.170 -0.773 0.249 1.00 0.00 N ATOM 1084 CA ALA A 68 -15.478 -1.172 -0.294 1.00 0.00 C ATOM 1085 C ALA A 68 -15.462 -2.635 -0.705 1.00 0.00 C ATOM 1086 O ALA A 68 -16.460 -3.321 -0.615 1.00 0.00 O ATOM 1087 CB ALA A 68 -15.787 -0.304 -1.525 1.00 0.00 C ATOM 0 H ALA A 68 -13.635 -0.120 -0.323 1.00 0.00 H new ATOM 0 HA ALA A 68 -16.241 -1.033 0.472 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -16.755 -0.589 -1.938 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -15.813 0.746 -1.233 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -15.013 -0.452 -2.278 1.00 0.00 H new ATOM 1093 N ARG A 69 -14.327 -3.089 -1.150 1.00 0.00 N ATOM 1094 CA ARG A 69 -14.229 -4.510 -1.572 1.00 0.00 C ATOM 1095 C ARG A 69 -14.195 -5.417 -0.349 1.00 0.00 C ATOM 1096 O ARG A 69 -14.526 -6.582 -0.429 1.00 0.00 O ATOM 1097 CB ARG A 69 -12.922 -4.713 -2.367 1.00 0.00 C ATOM 1098 CG ARG A 69 -12.938 -3.825 -3.626 1.00 0.00 C ATOM 1099 CD ARG A 69 -14.026 -4.306 -4.617 1.00 0.00 C ATOM 1100 NE ARG A 69 -15.235 -3.451 -4.450 1.00 0.00 N ATOM 1101 CZ ARG A 69 -16.126 -3.396 -5.406 1.00 0.00 C ATOM 1102 NH1 ARG A 69 -15.934 -4.101 -6.490 1.00 0.00 N ATOM 1103 NH2 ARG A 69 -17.172 -2.632 -5.252 1.00 0.00 N ATOM 0 H ARG A 69 -13.470 -2.543 -1.239 1.00 0.00 H new ATOM 0 HA ARG A 69 -15.094 -4.757 -2.188 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -12.063 -4.462 -1.744 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -12.816 -5.760 -2.650 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -13.127 -2.789 -3.345 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -11.961 -3.851 -4.109 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -13.658 -4.245 -5.641 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -14.273 -5.351 -4.429 1.00 0.00 H new ATOM 0 HE ARG A 69 -15.367 -2.911 -3.595 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -15.100 -4.682 -6.580 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -16.618 -4.071 -7.246 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -17.285 -2.089 -4.396 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -17.876 -2.577 -5.988 1.00 0.00 H new ATOM 1117 N TYR A 70 -13.794 -4.854 0.767 1.00 0.00 N ATOM 1118 CA TYR A 70 -13.724 -5.651 2.025 1.00 0.00 C ATOM 1119 C TYR A 70 -15.081 -5.714 2.722 1.00 0.00 C ATOM 1120 O TYR A 70 -15.477 -6.751 3.214 1.00 0.00 O ATOM 1121 CB TYR A 70 -12.726 -4.965 2.967 1.00 0.00 C ATOM 1122 CG TYR A 70 -12.684 -5.709 4.307 1.00 0.00 C ATOM 1123 CD1 TYR A 70 -13.646 -5.477 5.270 1.00 0.00 C ATOM 1124 CD2 TYR A 70 -11.666 -6.596 4.582 1.00 0.00 C ATOM 1125 CE1 TYR A 70 -13.586 -6.118 6.488 1.00 0.00 C ATOM 1126 CE2 TYR A 70 -11.605 -7.237 5.803 1.00 0.00 C ATOM 1127 CZ TYR A 70 -12.565 -7.004 6.763 1.00 0.00 C ATOM 1128 OH TYR A 70 -12.506 -7.645 7.985 1.00 0.00 O ATOM 0 H TYR A 70 -13.513 -3.878 0.857 1.00 0.00 H new ATOM 0 HA TYR A 70 -13.416 -6.667 1.780 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -11.734 -4.953 2.515 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -13.016 -3.926 3.126 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -14.452 -4.787 5.067 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -10.910 -6.791 3.836 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -14.344 -5.925 7.233 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -10.799 -7.926 6.007 1.00 0.00 H new ATOM 0 HH TYR A 70 -13.413 -7.764 8.336 1.00 0.00 H new ATOM 1138 N GLU A 71 -15.772 -4.599 2.753 1.00 0.00 N ATOM 1139 CA GLU A 71 -17.096 -4.585 3.415 1.00 0.00 C ATOM 1140 C GLU A 71 -18.154 -5.267 2.564 1.00 0.00 C ATOM 1141 O GLU A 71 -18.853 -6.139 3.024 1.00 0.00 O ATOM 1142 CB GLU A 71 -17.515 -3.122 3.631 1.00 0.00 C ATOM 1143 CG GLU A 71 -16.599 -2.486 4.675 1.00 0.00 C ATOM 1144 CD GLU A 71 -17.209 -1.168 5.153 1.00 0.00 C ATOM 1145 OE1 GLU A 71 -18.023 -1.245 6.058 1.00 0.00 O ATOM 1146 OE2 GLU A 71 -16.825 -0.159 4.587 1.00 0.00 O ATOM 0 H GLU A 71 -15.473 -3.711 2.350 1.00 0.00 H new ATOM 0 HA GLU A 71 -17.015 -5.123 4.360 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -17.454 -2.571 2.692 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -18.552 -3.073 3.962 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -16.465 -3.164 5.518 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -15.612 -2.309 4.248 1.00 0.00 H new ATOM 1153 N ARG A 72 -18.249 -4.853 1.341 1.00 0.00 N ATOM 1154 CA ARG A 72 -19.259 -5.464 0.438 1.00 0.00 C ATOM 1155 C ARG A 72 -19.160 -6.984 0.409 1.00 0.00 C ATOM 1156 O ARG A 72 -20.149 -7.663 0.218 1.00 0.00 O ATOM 1157 CB ARG A 72 -19.024 -4.930 -0.978 1.00 0.00 C ATOM 1158 CG ARG A 72 -20.217 -5.315 -1.855 1.00 0.00 C ATOM 1159 CD ARG A 72 -20.114 -4.584 -3.190 1.00 0.00 C ATOM 1160 NE ARG A 72 -18.757 -4.818 -3.774 1.00 0.00 N ATOM 1161 CZ ARG A 72 -18.510 -5.933 -4.417 1.00 0.00 C ATOM 1162 NH1 ARG A 72 -19.460 -6.822 -4.536 1.00 0.00 N ATOM 1163 NH2 ARG A 72 -17.317 -6.120 -4.917 1.00 0.00 N ATOM 0 H ARG A 72 -17.675 -4.120 0.924 1.00 0.00 H new ATOM 0 HA ARG A 72 -20.250 -5.202 0.809 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -18.905 -3.847 -0.958 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -18.104 -5.344 -1.390 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -20.232 -6.393 -2.017 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -21.150 -5.055 -1.355 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -20.884 -4.941 -3.874 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -20.283 -3.517 -3.048 1.00 0.00 H new ATOM 0 HE ARG A 72 -18.027 -4.113 -3.672 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -20.379 -6.644 -4.131 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -19.283 -7.694 -5.034 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -16.599 -5.405 -4.803 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -17.104 -6.981 -5.421 1.00 0.00 H new ATOM 1177 N GLU A 73 -17.967 -7.484 0.609 1.00 0.00 N ATOM 1178 CA GLU A 73 -17.756 -8.973 0.599 1.00 0.00 C ATOM 1179 C GLU A 73 -17.915 -9.582 1.995 1.00 0.00 C ATOM 1180 O GLU A 73 -18.036 -10.777 2.133 1.00 0.00 O ATOM 1181 CB GLU A 73 -16.319 -9.242 0.115 1.00 0.00 C ATOM 1182 CG GLU A 73 -16.250 -9.011 -1.396 1.00 0.00 C ATOM 1183 CD GLU A 73 -16.999 -10.138 -2.111 1.00 0.00 C ATOM 1184 OE1 GLU A 73 -16.455 -11.230 -2.119 1.00 0.00 O ATOM 1185 OE2 GLU A 73 -18.074 -9.843 -2.609 1.00 0.00 O ATOM 0 H GLU A 73 -17.127 -6.930 0.779 1.00 0.00 H new ATOM 0 HA GLU A 73 -18.502 -9.425 -0.055 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -15.619 -8.583 0.629 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -16.027 -10.265 0.353 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -16.691 -8.047 -1.649 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -15.211 -8.983 -1.725 1.00 0.00 H new ATOM 1192 N MET A 74 -17.901 -8.755 3.003 1.00 0.00 N ATOM 1193 CA MET A 74 -18.048 -9.278 4.377 1.00 0.00 C ATOM 1194 C MET A 74 -19.490 -9.688 4.660 1.00 0.00 C ATOM 1195 O MET A 74 -19.748 -10.757 5.177 1.00 0.00 O ATOM 1196 CB MET A 74 -17.614 -8.158 5.346 1.00 0.00 C ATOM 1197 CG MET A 74 -17.811 -8.603 6.814 1.00 0.00 C ATOM 1198 SD MET A 74 -17.792 -10.380 7.181 1.00 0.00 S ATOM 1199 CE MET A 74 -16.081 -10.721 6.710 1.00 0.00 C ATOM 0 H MET A 74 -17.794 -7.743 2.929 1.00 0.00 H new ATOM 0 HA MET A 74 -17.430 -10.166 4.505 1.00 0.00 H new ATOM 0 HB2 MET A 74 -16.568 -7.906 5.174 1.00 0.00 H new ATOM 0 HB3 MET A 74 -18.195 -7.256 5.152 1.00 0.00 H new ATOM 0 HG2 MET A 74 -17.032 -8.131 7.412 1.00 0.00 H new ATOM 0 HG3 MET A 74 -18.764 -8.202 7.158 1.00 0.00 H new ATOM 0 HE1 MET A 74 -16.036 -11.659 6.157 1.00 0.00 H new ATOM 0 HE2 MET A 74 -15.708 -9.912 6.082 1.00 0.00 H new ATOM 0 HE3 MET A 74 -15.465 -10.798 7.606 1.00 0.00 H new ATOM 1209 N LYS A 75 -20.399 -8.847 4.298 1.00 0.00 N ATOM 1210 CA LYS A 75 -21.827 -9.166 4.535 1.00 0.00 C ATOM 1211 C LYS A 75 -22.207 -10.516 3.912 1.00 0.00 C ATOM 1212 O LYS A 75 -23.284 -11.024 4.163 1.00 0.00 O ATOM 1213 CB LYS A 75 -22.694 -8.042 3.890 1.00 0.00 C ATOM 1214 CG LYS A 75 -22.870 -6.888 4.888 1.00 0.00 C ATOM 1215 CD LYS A 75 -21.520 -6.202 5.104 1.00 0.00 C ATOM 1216 CE LYS A 75 -21.725 -4.922 5.916 1.00 0.00 C ATOM 1217 NZ LYS A 75 -22.536 -5.201 7.135 1.00 0.00 N ATOM 0 H LYS A 75 -20.220 -7.950 3.847 1.00 0.00 H new ATOM 0 HA LYS A 75 -22.002 -9.228 5.609 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -22.217 -7.679 2.980 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -23.668 -8.440 3.603 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -23.599 -6.172 4.510 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -23.256 -7.266 5.835 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -20.838 -6.873 5.627 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -21.061 -5.967 4.144 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -20.758 -4.507 6.202 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -22.225 -4.172 5.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -22.389 -4.443 7.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -23.543 -5.245 6.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -22.243 -6.110 7.546 1.00 0.00 H new ATOM 1231 N THR A 76 -21.299 -11.072 3.121 1.00 0.00 N ATOM 1232 CA THR A 76 -21.573 -12.404 2.454 1.00 0.00 C ATOM 1233 C THR A 76 -20.917 -13.570 3.201 1.00 0.00 C ATOM 1234 O THR A 76 -21.396 -14.686 3.137 1.00 0.00 O ATOM 1235 CB THR A 76 -21.000 -12.359 1.022 1.00 0.00 C ATOM 1236 OG1 THR A 76 -19.630 -12.680 1.145 1.00 0.00 O ATOM 1237 CG2 THR A 76 -21.013 -10.928 0.469 1.00 0.00 C ATOM 0 H THR A 76 -20.388 -10.664 2.910 1.00 0.00 H new ATOM 0 HA THR A 76 -22.651 -12.566 2.454 1.00 0.00 H new ATOM 0 HB THR A 76 -21.579 -13.023 0.380 1.00 0.00 H new ATOM 0 HG1 THR A 76 -19.194 -12.032 1.737 1.00 0.00 H new ATOM 0 HG21 THR A 76 -20.604 -10.925 -0.541 1.00 0.00 H new ATOM 0 HG22 THR A 76 -22.037 -10.556 0.447 1.00 0.00 H new ATOM 0 HG23 THR A 76 -20.407 -10.286 1.108 1.00 0.00 H new ATOM 1245 N TYR A 77 -19.835 -13.305 3.893 1.00 0.00 N ATOM 1246 CA TYR A 77 -19.171 -14.408 4.628 1.00 0.00 C ATOM 1247 C TYR A 77 -20.036 -14.857 5.799 1.00 0.00 C ATOM 1248 O TYR A 77 -20.933 -15.645 5.613 1.00 0.00 O ATOM 1249 CB TYR A 77 -17.808 -13.908 5.141 1.00 0.00 C ATOM 1250 CG TYR A 77 -17.083 -15.034 5.911 1.00 0.00 C ATOM 1251 CD1 TYR A 77 -16.818 -16.259 5.312 1.00 0.00 C ATOM 1252 CD2 TYR A 77 -16.642 -14.822 7.202 1.00 0.00 C ATOM 1253 CE1 TYR A 77 -16.130 -17.242 5.997 1.00 0.00 C ATOM 1254 CE2 TYR A 77 -15.952 -15.807 7.882 1.00 0.00 C ATOM 1255 CZ TYR A 77 -15.691 -17.023 7.286 1.00 0.00 C ATOM 1256 OH TYR A 77 -15.004 -18.004 7.972 1.00 0.00 O ATOM 0 H TYR A 77 -19.395 -12.388 3.976 1.00 0.00 H new ATOM 0 HA TYR A 77 -19.028 -15.259 3.962 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -17.195 -13.577 4.303 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -17.950 -13.045 5.792 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -17.153 -16.445 4.302 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -16.838 -13.876 7.685 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -15.934 -18.190 5.519 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -15.613 -15.623 8.891 1.00 0.00 H new ATOM 0 HH TYR A 77 -14.771 -17.676 8.866 1.00 0.00 H new ATOM 1266 N ILE A 78 -19.737 -14.345 6.984 1.00 0.00 N ATOM 1267 CA ILE A 78 -20.534 -14.723 8.214 1.00 0.00 C ATOM 1268 C ILE A 78 -20.697 -16.276 8.348 1.00 0.00 C ATOM 1269 O ILE A 78 -21.626 -16.850 7.808 1.00 0.00 O ATOM 1270 CB ILE A 78 -21.927 -14.083 8.081 1.00 0.00 C ATOM 1271 CG1 ILE A 78 -21.787 -12.542 7.985 1.00 0.00 C ATOM 1272 CG2 ILE A 78 -22.750 -14.440 9.348 1.00 0.00 C ATOM 1273 CD1 ILE A 78 -23.006 -11.950 7.258 1.00 0.00 C ATOM 0 H ILE A 78 -18.978 -13.684 7.152 1.00 0.00 H new ATOM 0 HA ILE A 78 -20.008 -14.369 9.100 1.00 0.00 H new ATOM 0 HB ILE A 78 -22.423 -14.454 7.184 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -21.704 -12.113 8.983 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -20.873 -12.284 7.450 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -23.743 -13.995 9.274 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -22.843 -15.523 9.429 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -22.244 -14.052 10.232 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -22.901 -10.867 7.194 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -23.069 -12.368 6.253 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -23.913 -12.195 7.810 1.00 0.00 H new ATOM 1285 N PRO A 79 -19.811 -16.932 9.117 1.00 0.00 N ATOM 1286 CA PRO A 79 -19.899 -18.386 9.281 1.00 0.00 C ATOM 1287 C PRO A 79 -21.246 -18.823 9.933 1.00 0.00 C ATOM 1288 O PRO A 79 -21.912 -18.033 10.570 1.00 0.00 O ATOM 1289 CB PRO A 79 -18.692 -18.758 10.208 1.00 0.00 C ATOM 1290 CG PRO A 79 -17.882 -17.440 10.459 1.00 0.00 C ATOM 1291 CD PRO A 79 -18.725 -16.279 9.875 1.00 0.00 C ATOM 0 HA PRO A 79 -19.863 -18.895 8.318 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -19.045 -19.179 11.150 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -18.063 -19.513 9.737 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -17.705 -17.292 11.524 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -16.905 -17.489 9.978 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -19.124 -15.645 10.667 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -18.122 -15.641 9.229 1.00 0.00 H new ATOM 1299 N PRO A 80 -21.611 -20.104 9.748 1.00 0.00 N ATOM 1300 CA PRO A 80 -22.859 -20.643 10.311 1.00 0.00 C ATOM 1301 C PRO A 80 -22.767 -20.712 11.838 1.00 0.00 C ATOM 1302 O PRO A 80 -22.043 -19.958 12.450 1.00 0.00 O ATOM 1303 CB PRO A 80 -22.962 -22.081 9.697 1.00 0.00 C ATOM 1304 CG PRO A 80 -21.554 -22.425 9.134 1.00 0.00 C ATOM 1305 CD PRO A 80 -20.806 -21.084 8.980 1.00 0.00 C ATOM 0 HA PRO A 80 -23.729 -20.027 10.081 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -23.264 -22.805 10.454 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -23.713 -22.113 8.908 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -21.019 -23.093 9.809 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -21.634 -22.937 8.175 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -19.790 -21.152 9.370 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -20.727 -20.795 7.932 1.00 0.00 H new ATOM 1313 N LYS A 81 -23.518 -21.607 12.415 1.00 0.00 N ATOM 1314 CA LYS A 81 -23.497 -21.751 13.892 1.00 0.00 C ATOM 1315 C LYS A 81 -22.093 -22.118 14.383 1.00 0.00 C ATOM 1316 O LYS A 81 -21.785 -23.279 14.570 1.00 0.00 O ATOM 1317 CB LYS A 81 -24.469 -22.888 14.284 1.00 0.00 C ATOM 1318 CG LYS A 81 -25.906 -22.359 14.265 1.00 0.00 C ATOM 1319 CD LYS A 81 -26.287 -21.965 12.830 1.00 0.00 C ATOM 1320 CE LYS A 81 -27.812 -21.868 12.724 1.00 0.00 C ATOM 1321 NZ LYS A 81 -28.206 -21.321 11.396 1.00 0.00 N ATOM 0 H LYS A 81 -24.145 -22.245 11.925 1.00 0.00 H new ATOM 0 HA LYS A 81 -23.792 -20.805 14.346 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -24.368 -23.723 13.590 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -24.222 -23.266 15.276 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -26.590 -23.121 14.638 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -25.997 -21.497 14.926 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -25.831 -21.010 12.569 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -25.907 -22.704 12.124 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -28.256 -22.853 12.865 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -28.198 -21.228 13.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -29.243 -21.261 11.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -27.797 -20.372 11.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -27.854 -21.947 10.644 1.00 0.00 H new ATOM 1335 N GLY A 82 -21.273 -21.124 14.579 1.00 0.00 N ATOM 1336 CA GLY A 82 -19.885 -21.396 15.056 1.00 0.00 C ATOM 1337 C GLY A 82 -19.902 -22.244 16.335 1.00 0.00 C ATOM 1338 O GLY A 82 -18.878 -22.728 16.774 1.00 0.00 O ATOM 0 H GLY A 82 -21.500 -20.141 14.431 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -19.324 -21.915 14.278 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -19.370 -20.454 15.246 1.00 0.00 H new ATOM 1342 N GLU A 83 -21.066 -22.407 16.906 1.00 0.00 N ATOM 1343 CA GLU A 83 -21.159 -23.217 18.148 1.00 0.00 C ATOM 1344 C GLU A 83 -20.592 -24.615 17.928 1.00 0.00 C ATOM 1345 O GLU A 83 -19.760 -24.994 18.735 1.00 0.00 O ATOM 1346 CB GLU A 83 -22.642 -23.340 18.543 1.00 0.00 C ATOM 1347 CG GLU A 83 -23.252 -21.942 18.659 1.00 0.00 C ATOM 1348 CD GLU A 83 -24.681 -22.057 19.190 1.00 0.00 C ATOM 1349 OE1 GLU A 83 -25.537 -22.372 18.379 1.00 0.00 O ATOM 1350 OE2 GLU A 83 -24.839 -21.823 20.377 1.00 0.00 O ATOM 1351 OXT GLU A 83 -21.024 -25.228 16.966 1.00 0.00 O ATOM 0 H GLU A 83 -21.946 -22.017 16.568 1.00 0.00 H new ATOM 0 HA GLU A 83 -20.585 -22.726 18.934 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -23.182 -23.924 17.797 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -22.735 -23.870 19.491 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -22.652 -21.325 19.328 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -23.252 -21.451 17.686 1.00 0.00 H new TER 1358 GLU A 83