USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 699 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 71 GLN : amide:sc= -0.554 K(o=-0.64,f=-1.8) USER MOD Set 1.2: A 74 LYS NZ :NH3+ -151:sc= -0.0848 (180deg=-0.444) USER MOD Set 2.1: A 20 THR OG1 : rot -168:sc= -6.13! USER MOD Set 2.2: A 23 GLN : amide:sc= -6.96! C(o=-13!,f=-11!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -66:sc= 1.19 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot -64:sc= 0.88 USER MOD Single : A 10 ASN : amide:sc= -0.638 K(o=-0.64,f=-2.2!) USER MOD Single : A 11 LYS NZ :NH3+ -156:sc= -0.365 (180deg=-1.87!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0387) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.267 USER MOD Single : A 25 TYR OH : rot 180:sc= -0.0711 USER MOD Single : A 33 GLN : amide:sc= -0.157 K(o=-0.16,f=-2.8!) USER MOD Single : A 34 GLN : amide:sc= -11.2! C(o=-11!,f=-26!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -8:sc= 0.488 USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 93:sc= -8.57! USER MOD Single : A 47 SER OG : rot 180:sc= -0.259 USER MOD Single : A 52 THR OG1 : rot 180:sc= -3.04! USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -1.9! K(o=-1.9!,f=-0.3) USER MOD Single : A 57 LYS NZ :NH3+ -106:sc= -3.18! (180deg=-7.34!) USER MOD Single : A 61 GLN : amide:sc= -1.84! K(o=-1.8!,f=-0.049) USER MOD Single : A 62 ASN : amide:sc= -1.95! K(o=-1.9!,f=-0.63) USER MOD Single : A 63 HIS : no HD1:sc= -1.22 K(o=-1.2,f=-2.6!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot -6:sc= -2.42! USER MOD Single : A 68 LYS NZ :NH3+ -135:sc= -0.98 (180deg=-4.15!) USER MOD Single : A 72 ASN : amide:sc= -0.0846 K(o=-0.085,f=-0.83) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.0539 X(o=-0.054,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.674 -10.815 25.206 1.00 0.00 N ATOM 2 CA GLY A 1 19.203 -9.581 24.474 1.00 0.00 C ATOM 3 C GLY A 1 19.675 -9.713 23.067 1.00 0.00 C ATOM 4 O GLY A 1 20.299 -10.689 22.700 1.00 0.00 O ATOM 0 H1 GLY A 1 18.388 -10.551 26.170 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.853 -11.197 24.694 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.420 -11.538 25.252 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.413 -8.830 24.485 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.030 -9.182 25.061 1.00 0.00 H new ATOM 10 N SER A 2 19.391 -8.741 22.244 1.00 0.00 N ATOM 11 CA SER A 2 19.835 -8.813 20.825 1.00 0.00 C ATOM 12 C SER A 2 19.816 -7.412 20.211 1.00 0.00 C ATOM 13 O SER A 2 18.978 -7.094 19.391 1.00 0.00 O ATOM 14 CB SER A 2 18.891 -9.728 20.044 1.00 0.00 C ATOM 15 OG SER A 2 18.994 -9.438 18.657 1.00 0.00 O ATOM 0 H SER A 2 18.870 -7.900 22.494 1.00 0.00 H new ATOM 0 HA SER A 2 20.848 -9.212 20.780 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.144 -10.772 20.228 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.865 -9.584 20.382 1.00 0.00 H new ATOM 0 HG SER A 2 18.657 -8.534 18.486 1.00 0.00 H new ATOM 21 N HIS A 3 20.733 -6.570 20.603 1.00 0.00 N ATOM 22 CA HIS A 3 20.769 -5.189 20.044 1.00 0.00 C ATOM 23 C HIS A 3 22.030 -5.016 19.196 1.00 0.00 C ATOM 24 O HIS A 3 22.222 -4.005 18.548 1.00 0.00 O ATOM 25 CB HIS A 3 20.780 -4.174 21.188 1.00 0.00 C ATOM 26 CG HIS A 3 19.476 -4.243 21.934 1.00 0.00 C ATOM 27 ND1 HIS A 3 18.321 -3.641 21.459 1.00 0.00 N ATOM 28 CD2 HIS A 3 19.127 -4.843 23.119 1.00 0.00 C ATOM 29 CE1 HIS A 3 17.341 -3.888 22.348 1.00 0.00 C ATOM 30 NE2 HIS A 3 17.779 -4.617 23.378 1.00 0.00 N ATOM 0 H HIS A 3 21.460 -6.779 21.287 1.00 0.00 H new ATOM 0 HA HIS A 3 19.888 -5.025 19.424 1.00 0.00 H new ATOM 0 HB2 HIS A 3 21.609 -4.382 21.864 1.00 0.00 H new ATOM 0 HB3 HIS A 3 20.933 -3.169 20.795 1.00 0.00 H new ATOM 0 HD2 HIS A 3 19.797 -5.405 23.753 1.00 0.00 H new ATOM 0 HE1 HIS A 3 16.324 -3.539 22.241 1.00 0.00 H new ATOM 0 HE2 HIS A 3 17.240 -4.939 24.182 1.00 0.00 H new ATOM 38 N MET A 4 22.894 -5.995 19.194 1.00 0.00 N ATOM 39 CA MET A 4 24.141 -5.885 18.387 1.00 0.00 C ATOM 40 C MET A 4 24.223 -7.060 17.410 1.00 0.00 C ATOM 41 O MET A 4 24.546 -8.169 17.785 1.00 0.00 O ATOM 42 CB MET A 4 25.356 -5.911 19.320 1.00 0.00 C ATOM 43 CG MET A 4 25.683 -4.486 19.771 1.00 0.00 C ATOM 44 SD MET A 4 26.171 -3.497 18.336 1.00 0.00 S ATOM 45 CE MET A 4 26.644 -2.002 19.239 1.00 0.00 C ATOM 0 H MET A 4 22.790 -6.865 19.716 1.00 0.00 H new ATOM 0 HA MET A 4 24.131 -4.949 17.828 1.00 0.00 H new ATOM 0 HB2 MET A 4 25.149 -6.540 20.186 1.00 0.00 H new ATOM 0 HB3 MET A 4 26.213 -6.347 18.807 1.00 0.00 H new ATOM 0 HG2 MET A 4 24.816 -4.039 20.257 1.00 0.00 H new ATOM 0 HG3 MET A 4 26.487 -4.501 20.506 1.00 0.00 H new ATOM 0 HE1 MET A 4 26.984 -1.243 18.534 1.00 0.00 H new ATOM 0 HE2 MET A 4 25.784 -1.624 19.792 1.00 0.00 H new ATOM 0 HE3 MET A 4 27.449 -2.237 19.936 1.00 0.00 H new ATOM 55 N SER A 5 23.932 -6.825 16.160 1.00 0.00 N ATOM 56 CA SER A 5 23.992 -7.928 15.162 1.00 0.00 C ATOM 57 C SER A 5 23.436 -7.437 13.824 1.00 0.00 C ATOM 58 O SER A 5 22.293 -7.677 13.490 1.00 0.00 O ATOM 59 CB SER A 5 23.158 -9.111 15.659 1.00 0.00 C ATOM 60 OG SER A 5 22.425 -9.658 14.570 1.00 0.00 O ATOM 0 H SER A 5 23.655 -5.917 15.787 1.00 0.00 H new ATOM 0 HA SER A 5 25.027 -8.243 15.030 1.00 0.00 H new ATOM 0 HB2 SER A 5 23.807 -9.871 16.094 1.00 0.00 H new ATOM 0 HB3 SER A 5 22.476 -8.786 16.445 1.00 0.00 H new ATOM 0 HG SER A 5 21.792 -8.990 14.234 1.00 0.00 H new ATOM 66 N ASP A 6 24.236 -6.749 13.055 1.00 0.00 N ATOM 67 CA ASP A 6 23.754 -6.243 11.738 1.00 0.00 C ATOM 68 C ASP A 6 24.909 -6.250 10.734 1.00 0.00 C ATOM 69 O ASP A 6 24.896 -6.982 9.764 1.00 0.00 O ATOM 70 CB ASP A 6 23.229 -4.816 11.902 1.00 0.00 C ATOM 71 CG ASP A 6 22.347 -4.455 10.705 1.00 0.00 C ATOM 72 OD1 ASP A 6 21.785 -5.361 10.113 1.00 0.00 O ATOM 73 OD2 ASP A 6 22.249 -3.276 10.401 1.00 0.00 O ATOM 0 H ASP A 6 25.203 -6.515 13.282 1.00 0.00 H new ATOM 0 HA ASP A 6 22.953 -6.886 11.373 1.00 0.00 H new ATOM 0 HB2 ASP A 6 22.658 -4.731 12.827 1.00 0.00 H new ATOM 0 HB3 ASP A 6 24.062 -4.117 11.977 1.00 0.00 H new ATOM 78 N GLY A 7 25.908 -5.442 10.958 1.00 0.00 N ATOM 79 CA GLY A 7 27.063 -5.404 10.015 1.00 0.00 C ATOM 80 C GLY A 7 26.581 -4.968 8.630 1.00 0.00 C ATOM 81 O GLY A 7 25.419 -5.092 8.300 1.00 0.00 O ATOM 0 H GLY A 7 25.975 -4.806 11.753 1.00 0.00 H new ATOM 0 HA2 GLY A 7 27.822 -4.713 10.381 1.00 0.00 H new ATOM 0 HA3 GLY A 7 27.530 -6.387 9.956 1.00 0.00 H new ATOM 85 N LEU A 8 27.464 -4.459 7.818 1.00 0.00 N ATOM 86 CA LEU A 8 27.054 -4.016 6.457 1.00 0.00 C ATOM 87 C LEU A 8 27.798 -4.842 5.405 1.00 0.00 C ATOM 88 O LEU A 8 28.919 -4.533 5.053 1.00 0.00 O ATOM 89 CB LEU A 8 27.396 -2.536 6.274 1.00 0.00 C ATOM 90 CG LEU A 8 27.340 -1.825 7.627 1.00 0.00 C ATOM 91 CD1 LEU A 8 28.737 -1.803 8.251 1.00 0.00 C ATOM 92 CD2 LEU A 8 26.851 -0.388 7.426 1.00 0.00 C ATOM 0 H LEU A 8 28.452 -4.331 8.038 1.00 0.00 H new ATOM 0 HA LEU A 8 25.980 -4.158 6.340 1.00 0.00 H new ATOM 0 HB2 LEU A 8 28.390 -2.433 5.839 1.00 0.00 H new ATOM 0 HB3 LEU A 8 26.695 -2.074 5.580 1.00 0.00 H new ATOM 0 HG LEU A 8 26.655 -2.356 8.288 1.00 0.00 H new ATOM 0 HD11 LEU A 8 28.697 -1.296 9.215 1.00 0.00 H new ATOM 0 HD12 LEU A 8 29.088 -2.825 8.393 1.00 0.00 H new ATOM 0 HD13 LEU A 8 29.422 -1.272 7.590 1.00 0.00 H new ATOM 0 HD21 LEU A 8 26.810 0.121 8.389 1.00 0.00 H new ATOM 0 HD22 LEU A 8 27.538 0.141 6.765 1.00 0.00 H new ATOM 0 HD23 LEU A 8 25.856 -0.401 6.980 1.00 0.00 H new ATOM 104 N PRO A 9 27.143 -5.868 4.936 1.00 0.00 N ATOM 105 CA PRO A 9 27.787 -6.721 3.914 1.00 0.00 C ATOM 106 C PRO A 9 27.749 -6.028 2.549 1.00 0.00 C ATOM 107 O PRO A 9 28.575 -6.278 1.693 1.00 0.00 O ATOM 108 CB PRO A 9 26.971 -8.018 3.882 1.00 0.00 C ATOM 109 CG PRO A 9 25.876 -7.906 4.965 1.00 0.00 C ATOM 110 CD PRO A 9 26.000 -6.519 5.609 1.00 0.00 C ATOM 0 HA PRO A 9 28.834 -6.914 4.147 1.00 0.00 H new ATOM 0 HB2 PRO A 9 26.524 -8.165 2.899 1.00 0.00 H new ATOM 0 HB3 PRO A 9 27.612 -8.879 4.073 1.00 0.00 H new ATOM 0 HG2 PRO A 9 24.887 -8.037 4.525 1.00 0.00 H new ATOM 0 HG3 PRO A 9 25.997 -8.688 5.714 1.00 0.00 H new ATOM 0 HD2 PRO A 9 25.085 -5.941 5.475 1.00 0.00 H new ATOM 0 HD3 PRO A 9 26.171 -6.599 6.682 1.00 0.00 H new ATOM 118 N ASN A 10 26.800 -5.159 2.338 1.00 0.00 N ATOM 119 CA ASN A 10 26.715 -4.452 1.030 1.00 0.00 C ATOM 120 C ASN A 10 27.044 -2.971 1.227 1.00 0.00 C ATOM 121 O ASN A 10 27.907 -2.425 0.569 1.00 0.00 O ATOM 122 CB ASN A 10 25.298 -4.588 0.464 1.00 0.00 C ATOM 123 CG ASN A 10 24.582 -5.750 1.154 1.00 0.00 C ATOM 124 OD1 ASN A 10 25.134 -6.823 1.293 1.00 0.00 O ATOM 125 ND2 ASN A 10 23.366 -5.579 1.596 1.00 0.00 N ATOM 0 H ASN A 10 26.080 -4.908 3.015 1.00 0.00 H new ATOM 0 HA ASN A 10 27.428 -4.894 0.334 1.00 0.00 H new ATOM 0 HB2 ASN A 10 24.743 -3.662 0.618 1.00 0.00 H new ATOM 0 HB3 ASN A 10 25.340 -4.760 -0.612 1.00 0.00 H new ATOM 0 HD21 ASN A 10 22.879 -6.347 2.058 1.00 0.00 H new ATOM 0 HD22 ASN A 10 22.903 -4.678 1.479 1.00 0.00 H new ATOM 132 N LYS A 11 26.364 -2.316 2.128 1.00 0.00 N ATOM 133 CA LYS A 11 26.639 -0.871 2.364 1.00 0.00 C ATOM 134 C LYS A 11 26.026 -0.047 1.231 1.00 0.00 C ATOM 135 O LYS A 11 25.018 0.611 1.402 1.00 0.00 O ATOM 136 CB LYS A 11 28.152 -0.639 2.402 1.00 0.00 C ATOM 137 CG LYS A 11 28.467 0.537 3.330 1.00 0.00 C ATOM 138 CD LYS A 11 27.994 1.842 2.684 1.00 0.00 C ATOM 139 CE LYS A 11 28.938 2.978 3.081 1.00 0.00 C ATOM 140 NZ LYS A 11 29.418 2.758 4.474 1.00 0.00 N ATOM 0 H LYS A 11 25.630 -2.719 2.711 1.00 0.00 H new ATOM 0 HA LYS A 11 26.201 -0.567 3.315 1.00 0.00 H new ATOM 0 HB2 LYS A 11 28.659 -1.538 2.752 1.00 0.00 H new ATOM 0 HB3 LYS A 11 28.524 -0.433 1.398 1.00 0.00 H new ATOM 0 HG2 LYS A 11 27.974 0.396 4.292 1.00 0.00 H new ATOM 0 HG3 LYS A 11 29.539 0.583 3.524 1.00 0.00 H new ATOM 0 HD2 LYS A 11 27.971 1.736 1.599 1.00 0.00 H new ATOM 0 HD3 LYS A 11 26.977 2.071 3.004 1.00 0.00 H new ATOM 0 HE2 LYS A 11 29.784 3.019 2.395 1.00 0.00 H new ATOM 0 HE3 LYS A 11 28.423 3.936 3.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 29.704 3.667 4.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 28.653 2.342 5.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 30.232 2.111 4.463 1.00 0.00 H new ATOM 154 N LYS A 12 26.624 -0.078 0.071 1.00 0.00 N ATOM 155 CA LYS A 12 26.075 0.701 -1.074 1.00 0.00 C ATOM 156 C LYS A 12 24.721 0.118 -1.482 1.00 0.00 C ATOM 157 O LYS A 12 23.980 -0.387 -0.661 1.00 0.00 O ATOM 158 CB LYS A 12 27.044 0.617 -2.256 1.00 0.00 C ATOM 159 CG LYS A 12 27.347 -0.851 -2.562 1.00 0.00 C ATOM 160 CD LYS A 12 27.804 -0.988 -4.016 1.00 0.00 C ATOM 161 CE LYS A 12 29.215 -0.415 -4.165 1.00 0.00 C ATOM 162 NZ LYS A 12 30.167 -1.515 -4.489 1.00 0.00 N ATOM 0 H LYS A 12 27.470 -0.610 -0.133 1.00 0.00 H new ATOM 0 HA LYS A 12 25.949 1.743 -0.780 1.00 0.00 H new ATOM 0 HB2 LYS A 12 26.610 1.100 -3.131 1.00 0.00 H new ATOM 0 HB3 LYS A 12 27.966 1.149 -2.023 1.00 0.00 H new ATOM 0 HG2 LYS A 12 28.122 -1.221 -1.890 1.00 0.00 H new ATOM 0 HG3 LYS A 12 26.459 -1.460 -2.390 1.00 0.00 H new ATOM 0 HD2 LYS A 12 27.793 -2.036 -4.314 1.00 0.00 H new ATOM 0 HD3 LYS A 12 27.115 -0.461 -4.676 1.00 0.00 H new ATOM 0 HE2 LYS A 12 29.232 0.338 -4.953 1.00 0.00 H new ATOM 0 HE3 LYS A 12 29.517 0.081 -3.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 31.126 -1.126 -4.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 30.158 -2.219 -3.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 29.882 -1.969 -5.380 1.00 0.00 H new ATOM 176 N ARG A 13 24.391 0.180 -2.744 1.00 0.00 N ATOM 177 CA ARG A 13 23.086 -0.373 -3.201 1.00 0.00 C ATOM 178 C ARG A 13 21.953 0.228 -2.366 1.00 0.00 C ATOM 179 O ARG A 13 21.307 -0.455 -1.596 1.00 0.00 O ATOM 180 CB ARG A 13 23.090 -1.894 -3.032 1.00 0.00 C ATOM 181 CG ARG A 13 23.999 -2.523 -4.090 1.00 0.00 C ATOM 182 CD ARG A 13 23.784 -4.038 -4.108 1.00 0.00 C ATOM 183 NE ARG A 13 23.692 -4.509 -5.517 1.00 0.00 N ATOM 184 CZ ARG A 13 23.797 -5.781 -5.787 1.00 0.00 C ATOM 185 NH1 ARG A 13 23.984 -6.639 -4.822 1.00 0.00 N ATOM 186 NH2 ARG A 13 23.716 -6.194 -7.022 1.00 0.00 N ATOM 0 H ARG A 13 24.969 0.590 -3.477 1.00 0.00 H new ATOM 0 HA ARG A 13 22.935 -0.122 -4.251 1.00 0.00 H new ATOM 0 HB2 ARG A 13 23.439 -2.159 -2.034 1.00 0.00 H new ATOM 0 HB3 ARG A 13 22.077 -2.284 -3.129 1.00 0.00 H new ATOM 0 HG2 ARG A 13 23.780 -2.102 -5.071 1.00 0.00 H new ATOM 0 HG3 ARG A 13 25.042 -2.295 -3.871 1.00 0.00 H new ATOM 0 HD2 ARG A 13 24.607 -4.539 -3.599 1.00 0.00 H new ATOM 0 HD3 ARG A 13 22.872 -4.293 -3.568 1.00 0.00 H new ATOM 0 HE ARG A 13 23.547 -3.838 -6.271 1.00 0.00 H new ATOM 0 HH11 ARG A 13 24.048 -6.315 -3.857 1.00 0.00 H new ATOM 0 HH12 ARG A 13 24.066 -7.634 -5.033 1.00 0.00 H new ATOM 0 HH21 ARG A 13 23.571 -5.522 -7.776 1.00 0.00 H new ATOM 0 HH22 ARG A 13 23.798 -7.188 -7.234 1.00 0.00 H new ATOM 200 N LYS A 14 21.705 1.500 -2.515 1.00 0.00 N ATOM 201 CA LYS A 14 20.613 2.142 -1.732 1.00 0.00 C ATOM 202 C LYS A 14 19.269 1.552 -2.160 1.00 0.00 C ATOM 203 O LYS A 14 18.267 2.237 -2.209 1.00 0.00 O ATOM 204 CB LYS A 14 20.614 3.647 -2.001 1.00 0.00 C ATOM 205 CG LYS A 14 21.954 4.245 -1.566 1.00 0.00 C ATOM 206 CD LYS A 14 21.709 5.442 -0.645 1.00 0.00 C ATOM 207 CE LYS A 14 22.992 6.267 -0.529 1.00 0.00 C ATOM 208 NZ LYS A 14 23.233 6.617 0.899 1.00 0.00 N ATOM 0 H LYS A 14 22.211 2.122 -3.145 1.00 0.00 H new ATOM 0 HA LYS A 14 20.770 1.961 -0.669 1.00 0.00 H new ATOM 0 HB2 LYS A 14 20.446 3.837 -3.061 1.00 0.00 H new ATOM 0 HB3 LYS A 14 19.798 4.124 -1.458 1.00 0.00 H new ATOM 0 HG2 LYS A 14 22.549 3.492 -1.049 1.00 0.00 H new ATOM 0 HG3 LYS A 14 22.525 4.557 -2.440 1.00 0.00 H new ATOM 0 HD2 LYS A 14 20.902 6.059 -1.040 1.00 0.00 H new ATOM 0 HD3 LYS A 14 21.395 5.098 0.340 1.00 0.00 H new ATOM 0 HE2 LYS A 14 23.837 5.702 -0.923 1.00 0.00 H new ATOM 0 HE3 LYS A 14 22.908 7.174 -1.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 24.105 7.178 0.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 22.431 7.172 1.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 23.331 5.746 1.458 1.00 0.00 H new ATOM 222 N ARG A 15 19.247 0.288 -2.477 1.00 0.00 N ATOM 223 CA ARG A 15 17.979 -0.360 -2.912 1.00 0.00 C ATOM 224 C ARG A 15 16.788 0.296 -2.211 1.00 0.00 C ATOM 225 O ARG A 15 16.687 0.293 -1.000 1.00 0.00 O ATOM 226 CB ARG A 15 18.018 -1.849 -2.562 1.00 0.00 C ATOM 227 CG ARG A 15 17.613 -2.045 -1.101 1.00 0.00 C ATOM 228 CD ARG A 15 18.002 -3.456 -0.654 1.00 0.00 C ATOM 229 NE ARG A 15 16.833 -4.118 -0.001 1.00 0.00 N ATOM 230 CZ ARG A 15 16.089 -3.467 0.852 1.00 0.00 C ATOM 231 NH1 ARG A 15 16.404 -2.250 1.205 1.00 0.00 N ATOM 232 NH2 ARG A 15 15.040 -4.044 1.370 1.00 0.00 N ATOM 0 H ARG A 15 20.059 -0.328 -2.453 1.00 0.00 H new ATOM 0 HA ARG A 15 17.871 -0.240 -3.990 1.00 0.00 H new ATOM 0 HB2 ARG A 15 17.343 -2.404 -3.214 1.00 0.00 H new ATOM 0 HB3 ARG A 15 19.020 -2.246 -2.728 1.00 0.00 H new ATOM 0 HG2 ARG A 15 18.105 -1.303 -0.472 1.00 0.00 H new ATOM 0 HG3 ARG A 15 16.539 -1.898 -0.986 1.00 0.00 H new ATOM 0 HD2 ARG A 15 18.331 -4.042 -1.512 1.00 0.00 H new ATOM 0 HD3 ARG A 15 18.841 -3.409 0.041 1.00 0.00 H new ATOM 0 HE ARG A 15 16.614 -5.089 -0.224 1.00 0.00 H new ATOM 0 HH11 ARG A 15 17.234 -1.804 0.814 1.00 0.00 H new ATOM 0 HH12 ARG A 15 15.820 -1.745 1.872 1.00 0.00 H new ATOM 0 HH21 ARG A 15 14.803 -5.001 1.108 1.00 0.00 H new ATOM 0 HH22 ARG A 15 14.457 -3.538 2.037 1.00 0.00 H new ATOM 246 N ARG A 16 15.885 0.852 -2.968 1.00 0.00 N ATOM 247 CA ARG A 16 14.693 1.505 -2.359 1.00 0.00 C ATOM 248 C ARG A 16 13.613 0.447 -2.120 1.00 0.00 C ATOM 249 O ARG A 16 13.655 -0.631 -2.678 1.00 0.00 O ATOM 250 CB ARG A 16 14.169 2.588 -3.316 1.00 0.00 C ATOM 251 CG ARG A 16 12.636 2.625 -3.292 1.00 0.00 C ATOM 252 CD ARG A 16 12.138 3.791 -4.149 1.00 0.00 C ATOM 253 NE ARG A 16 12.646 5.076 -3.591 1.00 0.00 N ATOM 254 CZ ARG A 16 12.609 6.161 -4.319 1.00 0.00 C ATOM 255 NH1 ARG A 16 12.142 6.114 -5.536 1.00 0.00 N ATOM 256 NH2 ARG A 16 13.041 7.292 -3.830 1.00 0.00 N ATOM 0 H ARG A 16 15.921 0.883 -3.987 1.00 0.00 H new ATOM 0 HA ARG A 16 14.960 1.967 -1.408 1.00 0.00 H new ATOM 0 HB2 ARG A 16 14.567 3.561 -3.028 1.00 0.00 H new ATOM 0 HB3 ARG A 16 14.519 2.388 -4.329 1.00 0.00 H new ATOM 0 HG2 ARG A 16 12.233 1.685 -3.669 1.00 0.00 H new ATOM 0 HG3 ARG A 16 12.281 2.736 -2.267 1.00 0.00 H new ATOM 0 HD2 ARG A 16 12.478 3.670 -5.178 1.00 0.00 H new ATOM 0 HD3 ARG A 16 11.048 3.799 -4.172 1.00 0.00 H new ATOM 0 HE ARG A 16 13.022 5.109 -2.643 1.00 0.00 H new ATOM 0 HH11 ARG A 16 11.806 5.231 -5.919 1.00 0.00 H new ATOM 0 HH12 ARG A 16 12.113 6.961 -6.104 1.00 0.00 H new ATOM 0 HH21 ARG A 16 13.408 7.329 -2.879 1.00 0.00 H new ATOM 0 HH22 ARG A 16 13.012 8.138 -4.399 1.00 0.00 H new ATOM 270 N VAL A 17 12.643 0.747 -1.303 1.00 0.00 N ATOM 271 CA VAL A 17 11.562 -0.241 -1.046 1.00 0.00 C ATOM 272 C VAL A 17 10.663 -0.328 -2.279 1.00 0.00 C ATOM 273 O VAL A 17 10.251 0.673 -2.830 1.00 0.00 O ATOM 274 CB VAL A 17 10.739 0.205 0.162 1.00 0.00 C ATOM 275 CG1 VAL A 17 10.478 1.710 0.074 1.00 0.00 C ATOM 276 CG2 VAL A 17 9.406 -0.546 0.173 1.00 0.00 C ATOM 0 H VAL A 17 12.553 1.632 -0.804 1.00 0.00 H new ATOM 0 HA VAL A 17 11.997 -1.219 -0.840 1.00 0.00 H new ATOM 0 HB VAL A 17 11.287 -0.014 1.078 1.00 0.00 H new ATOM 0 HG11 VAL A 17 9.891 2.028 0.935 1.00 0.00 H new ATOM 0 HG12 VAL A 17 11.428 2.244 0.065 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.929 1.931 -0.841 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.817 -0.229 1.034 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.857 -0.326 -0.743 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.593 -1.618 0.236 1.00 0.00 H new ATOM 286 N LEU A 18 10.364 -1.515 -2.727 1.00 0.00 N ATOM 287 CA LEU A 18 9.500 -1.655 -3.934 1.00 0.00 C ATOM 288 C LEU A 18 8.081 -2.039 -3.518 1.00 0.00 C ATOM 289 O LEU A 18 7.463 -1.387 -2.701 1.00 0.00 O ATOM 290 CB LEU A 18 10.067 -2.744 -4.849 1.00 0.00 C ATOM 291 CG LEU A 18 11.592 -2.682 -4.834 1.00 0.00 C ATOM 292 CD1 LEU A 18 12.156 -3.688 -5.842 1.00 0.00 C ATOM 293 CD2 LEU A 18 12.048 -1.269 -5.210 1.00 0.00 C ATOM 0 H LEU A 18 10.679 -2.392 -2.312 1.00 0.00 H new ATOM 0 HA LEU A 18 9.477 -0.703 -4.465 1.00 0.00 H new ATOM 0 HB2 LEU A 18 9.730 -3.725 -4.516 1.00 0.00 H new ATOM 0 HB3 LEU A 18 9.697 -2.608 -5.865 1.00 0.00 H new ATOM 0 HG LEU A 18 11.956 -2.928 -3.836 1.00 0.00 H new ATOM 0 HD11 LEU A 18 13.245 -3.643 -5.831 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.832 -4.693 -5.573 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.793 -3.445 -6.841 1.00 0.00 H new ATOM 0 HD21 LEU A 18 13.137 -1.223 -5.200 1.00 0.00 H new ATOM 0 HD22 LEU A 18 11.684 -1.023 -6.207 1.00 0.00 H new ATOM 0 HD23 LEU A 18 11.648 -0.554 -4.491 1.00 0.00 H new ATOM 305 N PHE A 19 7.565 -3.095 -4.081 1.00 0.00 N ATOM 306 CA PHE A 19 6.183 -3.536 -3.732 1.00 0.00 C ATOM 307 C PHE A 19 5.660 -4.478 -4.803 1.00 0.00 C ATOM 308 O PHE A 19 5.804 -4.259 -5.989 1.00 0.00 O ATOM 309 CB PHE A 19 5.251 -2.320 -3.625 1.00 0.00 C ATOM 310 CG PHE A 19 4.909 -2.006 -2.174 1.00 0.00 C ATOM 311 CD1 PHE A 19 5.765 -2.385 -1.126 1.00 0.00 C ATOM 312 CD2 PHE A 19 3.724 -1.311 -1.883 1.00 0.00 C ATOM 313 CE1 PHE A 19 5.434 -2.072 0.198 1.00 0.00 C ATOM 314 CE2 PHE A 19 3.399 -0.996 -0.558 1.00 0.00 C ATOM 315 CZ PHE A 19 4.254 -1.377 0.482 1.00 0.00 C ATOM 0 H PHE A 19 8.042 -3.675 -4.771 1.00 0.00 H new ATOM 0 HA PHE A 19 6.210 -4.052 -2.772 1.00 0.00 H new ATOM 0 HB2 PHE A 19 5.727 -1.453 -4.084 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.334 -2.512 -4.183 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.679 -2.918 -1.342 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.061 -1.018 -2.684 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.092 -2.368 1.002 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.488 -0.459 -0.339 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.003 -1.134 1.504 1.00 0.00 H new ATOM 325 N THR A 20 5.037 -5.521 -4.360 1.00 0.00 N ATOM 326 CA THR A 20 4.458 -6.526 -5.298 1.00 0.00 C ATOM 327 C THR A 20 3.058 -6.044 -5.730 1.00 0.00 C ATOM 328 O THR A 20 2.137 -6.133 -4.945 1.00 0.00 O ATOM 329 CB THR A 20 4.326 -7.864 -4.570 1.00 0.00 C ATOM 330 OG1 THR A 20 3.870 -7.636 -3.248 1.00 0.00 O ATOM 331 CG2 THR A 20 5.686 -8.561 -4.526 1.00 0.00 C ATOM 0 H THR A 20 4.898 -5.730 -3.371 1.00 0.00 H new ATOM 0 HA THR A 20 5.099 -6.644 -6.171 1.00 0.00 H new ATOM 0 HB THR A 20 3.613 -8.496 -5.099 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.965 -8.458 -2.723 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.590 -9.514 -4.007 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.038 -8.736 -5.543 1.00 0.00 H new ATOM 0 HG23 THR A 20 6.401 -7.931 -3.997 1.00 0.00 H new ATOM 339 N LYS A 21 2.870 -5.519 -6.944 1.00 0.00 N ATOM 340 CA LYS A 21 1.508 -5.052 -7.346 1.00 0.00 C ATOM 341 C LYS A 21 0.477 -5.850 -6.564 1.00 0.00 C ATOM 342 O LYS A 21 -0.509 -5.325 -6.090 1.00 0.00 O ATOM 343 CB LYS A 21 1.299 -5.279 -8.845 1.00 0.00 C ATOM 344 CG LYS A 21 2.601 -4.990 -9.594 1.00 0.00 C ATOM 345 CD LYS A 21 3.379 -6.293 -9.784 1.00 0.00 C ATOM 346 CE LYS A 21 4.879 -5.990 -9.817 1.00 0.00 C ATOM 347 NZ LYS A 21 5.203 -5.220 -11.050 1.00 0.00 N ATOM 0 H LYS A 21 3.597 -5.403 -7.650 1.00 0.00 H new ATOM 0 HA LYS A 21 1.404 -3.988 -7.134 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.983 -6.306 -9.027 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.504 -4.631 -9.214 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.384 -4.539 -10.562 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.203 -4.273 -9.036 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.154 -6.985 -8.972 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.075 -6.779 -10.711 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.165 -5.419 -8.933 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.449 -6.919 -9.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.235 -5.146 -11.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.808 -5.709 -11.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.792 -4.267 -10.982 1.00 0.00 H new ATOM 361 N ALA A 22 0.731 -7.116 -6.396 1.00 0.00 N ATOM 362 CA ALA A 22 -0.192 -7.972 -5.611 1.00 0.00 C ATOM 363 C ALA A 22 -0.540 -7.243 -4.315 1.00 0.00 C ATOM 364 O ALA A 22 -1.645 -6.773 -4.132 1.00 0.00 O ATOM 365 CB ALA A 22 0.520 -9.281 -5.285 1.00 0.00 C ATOM 0 H ALA A 22 1.547 -7.597 -6.774 1.00 0.00 H new ATOM 0 HA ALA A 22 -1.102 -8.179 -6.174 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.145 -9.923 -4.707 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.797 -9.785 -6.211 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.418 -9.072 -4.703 1.00 0.00 H new ATOM 371 N GLN A 23 0.407 -7.117 -3.422 1.00 0.00 N ATOM 372 CA GLN A 23 0.133 -6.379 -2.159 1.00 0.00 C ATOM 373 C GLN A 23 -0.749 -5.197 -2.513 1.00 0.00 C ATOM 374 O GLN A 23 -1.962 -5.271 -2.496 1.00 0.00 O ATOM 375 CB GLN A 23 1.442 -5.834 -1.593 1.00 0.00 C ATOM 376 CG GLN A 23 2.332 -6.990 -1.131 1.00 0.00 C ATOM 377 CD GLN A 23 3.786 -6.519 -1.072 1.00 0.00 C ATOM 378 OE1 GLN A 23 4.673 -7.287 -0.753 1.00 0.00 O ATOM 379 NE2 GLN A 23 4.072 -5.279 -1.368 1.00 0.00 N ATOM 0 H GLN A 23 1.351 -7.491 -3.514 1.00 0.00 H new ATOM 0 HA GLN A 23 -0.339 -7.036 -1.429 1.00 0.00 H new ATOM 0 HB2 GLN A 23 1.959 -5.246 -2.351 1.00 0.00 H new ATOM 0 HB3 GLN A 23 1.236 -5.166 -0.757 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.012 -7.341 -0.150 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.238 -7.832 -1.817 1.00 0.00 H new ATOM 0 HE21 GLN A 23 3.329 -4.634 -1.636 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.039 -4.956 -1.331 1.00 0.00 H new ATOM 388 N THR A 24 -0.122 -4.113 -2.862 1.00 0.00 N ATOM 389 CA THR A 24 -0.861 -2.897 -3.256 1.00 0.00 C ATOM 390 C THR A 24 -2.211 -3.274 -3.884 1.00 0.00 C ATOM 391 O THR A 24 -3.218 -2.653 -3.605 1.00 0.00 O ATOM 392 CB THR A 24 -0.017 -2.130 -4.264 1.00 0.00 C ATOM 393 OG1 THR A 24 1.132 -1.607 -3.610 1.00 0.00 O ATOM 394 CG2 THR A 24 -0.840 -0.985 -4.850 1.00 0.00 C ATOM 0 H THR A 24 0.894 -4.022 -2.890 1.00 0.00 H new ATOM 0 HA THR A 24 -1.053 -2.280 -2.378 1.00 0.00 H new ATOM 0 HB THR A 24 0.293 -2.798 -5.068 1.00 0.00 H new ATOM 0 HG1 THR A 24 1.680 -1.114 -4.256 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.236 -0.435 -5.572 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.722 -1.388 -5.347 1.00 0.00 H new ATOM 0 HG23 THR A 24 -1.150 -0.313 -4.050 1.00 0.00 H new ATOM 402 N TYR A 25 -2.259 -4.291 -4.714 1.00 0.00 N ATOM 403 CA TYR A 25 -3.564 -4.674 -5.309 1.00 0.00 C ATOM 404 C TYR A 25 -4.487 -5.046 -4.153 1.00 0.00 C ATOM 405 O TYR A 25 -5.330 -4.272 -3.747 1.00 0.00 O ATOM 406 CB TYR A 25 -3.376 -5.861 -6.262 1.00 0.00 C ATOM 407 CG TYR A 25 -4.399 -6.851 -6.064 1.00 0.00 C ATOM 408 CD1 TYR A 25 -5.674 -6.582 -6.479 1.00 0.00 C ATOM 409 CD2 TYR A 25 -4.051 -8.058 -5.526 1.00 0.00 C ATOM 410 CE1 TYR A 25 -6.638 -7.538 -6.345 1.00 0.00 C ATOM 411 CE2 TYR A 25 -4.998 -9.031 -5.391 1.00 0.00 C ATOM 412 CZ TYR A 25 -6.316 -8.786 -5.798 1.00 0.00 C ATOM 413 OH TYR A 25 -7.282 -9.762 -5.666 1.00 0.00 O ATOM 0 H TYR A 25 -1.461 -4.859 -4.997 1.00 0.00 H new ATOM 0 HA TYR A 25 -3.991 -3.855 -5.888 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.400 -5.510 -7.294 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.396 -6.309 -6.100 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.916 -5.621 -6.909 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -3.034 -8.240 -5.210 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.650 -7.332 -6.661 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -4.732 -9.990 -4.971 1.00 0.00 H new ATOM 0 HH TYR A 25 -6.884 -10.565 -5.269 1.00 0.00 H new ATOM 423 N GLU A 26 -4.300 -6.205 -3.586 1.00 0.00 N ATOM 424 CA GLU A 26 -5.130 -6.585 -2.417 1.00 0.00 C ATOM 425 C GLU A 26 -5.252 -5.340 -1.555 1.00 0.00 C ATOM 426 O GLU A 26 -6.319 -4.827 -1.288 1.00 0.00 O ATOM 427 CB GLU A 26 -4.387 -7.648 -1.611 1.00 0.00 C ATOM 428 CG GLU A 26 -4.911 -9.049 -1.922 1.00 0.00 C ATOM 429 CD GLU A 26 -6.428 -9.108 -1.713 1.00 0.00 C ATOM 430 OE1 GLU A 26 -6.975 -8.157 -1.184 1.00 0.00 O ATOM 431 OE2 GLU A 26 -7.017 -10.108 -2.089 1.00 0.00 O ATOM 0 H GLU A 26 -3.613 -6.899 -3.881 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.103 -6.967 -2.726 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.321 -7.598 -1.835 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.499 -7.444 -0.546 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.668 -9.315 -2.951 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.420 -9.779 -1.279 1.00 0.00 H new ATOM 438 N LEU A 27 -4.126 -4.837 -1.153 1.00 0.00 N ATOM 439 CA LEU A 27 -4.088 -3.608 -0.342 1.00 0.00 C ATOM 440 C LEU A 27 -5.128 -2.628 -0.886 1.00 0.00 C ATOM 441 O LEU A 27 -5.872 -2.018 -0.145 1.00 0.00 O ATOM 442 CB LEU A 27 -2.691 -3.025 -0.494 1.00 0.00 C ATOM 443 CG LEU A 27 -2.131 -2.623 0.857 1.00 0.00 C ATOM 444 CD1 LEU A 27 -0.797 -1.913 0.645 1.00 0.00 C ATOM 445 CD2 LEU A 27 -3.123 -1.699 1.553 1.00 0.00 C ATOM 0 H LEU A 27 -3.212 -5.239 -1.360 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.309 -3.806 0.707 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.034 -3.758 -0.963 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.723 -2.158 -1.153 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.972 -3.502 1.481 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.384 -1.619 1.610 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.102 -2.586 0.143 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.951 -1.026 0.030 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.727 -1.406 2.525 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.282 -0.810 0.943 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.071 -2.219 1.689 1.00 0.00 H new ATOM 457 N GLU A 28 -5.186 -2.485 -2.183 1.00 0.00 N ATOM 458 CA GLU A 28 -6.181 -1.560 -2.789 1.00 0.00 C ATOM 459 C GLU A 28 -7.578 -2.154 -2.607 1.00 0.00 C ATOM 460 O GLU A 28 -8.544 -1.446 -2.406 1.00 0.00 O ATOM 461 CB GLU A 28 -5.883 -1.396 -4.282 1.00 0.00 C ATOM 462 CG GLU A 28 -5.007 -0.160 -4.498 1.00 0.00 C ATOM 463 CD GLU A 28 -4.865 0.107 -5.998 1.00 0.00 C ATOM 464 OE1 GLU A 28 -3.993 -0.491 -6.607 1.00 0.00 O ATOM 465 OE2 GLU A 28 -5.630 0.906 -6.512 1.00 0.00 O ATOM 0 H GLU A 28 -4.585 -2.971 -2.849 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.127 -0.585 -2.305 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.377 -2.284 -4.662 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.814 -1.296 -4.840 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.451 0.704 -4.004 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.025 -0.314 -4.050 1.00 0.00 H new ATOM 472 N ARG A 29 -7.689 -3.454 -2.668 1.00 0.00 N ATOM 473 CA ARG A 29 -9.020 -4.096 -2.490 1.00 0.00 C ATOM 474 C ARG A 29 -9.568 -3.718 -1.108 1.00 0.00 C ATOM 475 O ARG A 29 -10.763 -3.645 -0.902 1.00 0.00 O ATOM 476 CB ARG A 29 -8.873 -5.620 -2.599 1.00 0.00 C ATOM 477 CG ARG A 29 -9.032 -6.063 -4.055 1.00 0.00 C ATOM 478 CD ARG A 29 -9.406 -7.546 -4.089 1.00 0.00 C ATOM 479 NE ARG A 29 -9.010 -8.185 -2.803 1.00 0.00 N ATOM 480 CZ ARG A 29 -9.497 -9.351 -2.476 1.00 0.00 C ATOM 481 NH1 ARG A 29 -10.332 -9.957 -3.276 1.00 0.00 N ATOM 482 NH2 ARG A 29 -9.152 -9.909 -1.347 1.00 0.00 N ATOM 0 H ARG A 29 -6.915 -4.097 -2.833 1.00 0.00 H new ATOM 0 HA ARG A 29 -9.708 -3.753 -3.263 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.897 -5.926 -2.222 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -9.623 -6.110 -1.978 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -9.803 -5.469 -4.547 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -8.104 -5.897 -4.602 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -10.478 -7.658 -4.249 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.906 -8.040 -4.922 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.358 -7.711 -2.178 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -10.604 -9.519 -4.156 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.713 -10.868 -3.021 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.502 -9.434 -0.721 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.532 -10.820 -1.091 1.00 0.00 H new ATOM 496 N ARG A 30 -8.699 -3.460 -0.164 1.00 0.00 N ATOM 497 CA ARG A 30 -9.168 -3.066 1.198 1.00 0.00 C ATOM 498 C ARG A 30 -9.891 -1.721 1.090 1.00 0.00 C ATOM 499 O ARG A 30 -10.988 -1.546 1.585 1.00 0.00 O ATOM 500 CB ARG A 30 -7.959 -2.914 2.137 1.00 0.00 C ATOM 501 CG ARG A 30 -8.160 -3.727 3.426 1.00 0.00 C ATOM 502 CD ARG A 30 -9.587 -3.553 3.951 1.00 0.00 C ATOM 503 NE ARG A 30 -10.383 -4.772 3.644 1.00 0.00 N ATOM 504 CZ ARG A 30 -11.497 -4.999 4.282 1.00 0.00 C ATOM 505 NH1 ARG A 30 -11.904 -4.166 5.200 1.00 0.00 N ATOM 506 NH2 ARG A 30 -12.203 -6.060 4.005 1.00 0.00 N ATOM 0 H ARG A 30 -7.686 -3.505 -0.278 1.00 0.00 H new ATOM 0 HA ARG A 30 -9.838 -3.828 1.595 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -7.054 -3.248 1.629 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.816 -1.862 2.384 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.963 -4.781 3.233 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.446 -3.403 4.183 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.571 -3.378 5.027 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.050 -2.679 3.493 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.057 -5.429 2.935 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.351 -3.337 5.418 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.776 -4.343 5.699 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.884 -6.712 3.289 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -13.075 -6.237 4.504 1.00 0.00 H new ATOM 520 N PHE A 31 -9.276 -0.771 0.438 1.00 0.00 N ATOM 521 CA PHE A 31 -9.904 0.572 0.279 1.00 0.00 C ATOM 522 C PHE A 31 -11.402 0.415 0.009 1.00 0.00 C ATOM 523 O PHE A 31 -12.221 1.097 0.589 1.00 0.00 O ATOM 524 CB PHE A 31 -9.246 1.289 -0.902 1.00 0.00 C ATOM 525 CG PHE A 31 -9.406 2.782 -0.748 1.00 0.00 C ATOM 526 CD1 PHE A 31 -10.682 3.360 -0.779 1.00 0.00 C ATOM 527 CD2 PHE A 31 -8.276 3.591 -0.580 1.00 0.00 C ATOM 528 CE1 PHE A 31 -10.826 4.745 -0.639 1.00 0.00 C ATOM 529 CE2 PHE A 31 -8.420 4.976 -0.440 1.00 0.00 C ATOM 530 CZ PHE A 31 -9.695 5.553 -0.470 1.00 0.00 C ATOM 0 H PHE A 31 -8.358 -0.869 0.005 1.00 0.00 H new ATOM 0 HA PHE A 31 -9.765 1.152 1.192 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -8.188 1.031 -0.952 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -9.699 0.960 -1.837 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -11.554 2.737 -0.911 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -7.292 3.146 -0.558 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -11.810 5.191 -0.661 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -7.548 5.599 -0.309 1.00 0.00 H new ATOM 0 HZ PHE A 31 -9.806 6.622 -0.363 1.00 0.00 H new ATOM 540 N ARG A 32 -11.765 -0.475 -0.871 1.00 0.00 N ATOM 541 CA ARG A 32 -13.211 -0.669 -1.176 1.00 0.00 C ATOM 542 C ARG A 32 -13.923 -1.238 0.054 1.00 0.00 C ATOM 543 O ARG A 32 -15.049 -0.888 0.347 1.00 0.00 O ATOM 544 CB ARG A 32 -13.358 -1.643 -2.344 1.00 0.00 C ATOM 545 CG ARG A 32 -12.973 -0.936 -3.653 1.00 0.00 C ATOM 546 CD ARG A 32 -11.504 -1.211 -4.008 1.00 0.00 C ATOM 547 NE ARG A 32 -11.420 -1.984 -5.288 1.00 0.00 N ATOM 548 CZ ARG A 32 -12.202 -3.009 -5.515 1.00 0.00 C ATOM 549 NH1 ARG A 32 -13.042 -3.417 -4.604 1.00 0.00 N ATOM 550 NH2 ARG A 32 -12.129 -3.637 -6.656 1.00 0.00 N ATOM 0 H ARG A 32 -11.126 -1.076 -1.392 1.00 0.00 H new ATOM 0 HA ARG A 32 -13.657 0.290 -1.442 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.721 -2.514 -2.188 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -14.384 -2.005 -2.402 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -13.618 -1.280 -4.461 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -13.133 0.138 -3.553 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.963 -0.270 -4.106 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.026 -1.771 -3.204 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.741 -1.707 -5.996 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -13.093 -2.936 -3.706 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -13.647 -4.217 -4.790 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -11.465 -3.329 -7.366 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -12.736 -4.436 -6.838 1.00 0.00 H new ATOM 564 N GLN A 33 -13.278 -2.117 0.771 1.00 0.00 N ATOM 565 CA GLN A 33 -13.919 -2.712 1.978 1.00 0.00 C ATOM 566 C GLN A 33 -13.665 -1.821 3.198 1.00 0.00 C ATOM 567 O GLN A 33 -14.105 -2.111 4.292 1.00 0.00 O ATOM 568 CB GLN A 33 -13.332 -4.101 2.229 1.00 0.00 C ATOM 569 CG GLN A 33 -13.865 -5.078 1.181 1.00 0.00 C ATOM 570 CD GLN A 33 -15.130 -5.756 1.711 1.00 0.00 C ATOM 571 OE1 GLN A 33 -15.552 -5.500 2.821 1.00 0.00 O ATOM 572 NE2 GLN A 33 -15.756 -6.618 0.958 1.00 0.00 N ATOM 0 H GLN A 33 -12.334 -2.449 0.573 1.00 0.00 H new ATOM 0 HA GLN A 33 -14.993 -2.791 1.813 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -12.244 -4.061 2.184 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -13.597 -4.444 3.229 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -14.085 -4.549 0.254 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -13.108 -5.827 0.949 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -15.402 -6.833 0.026 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -16.600 -7.077 1.301 1.00 0.00 H new ATOM 581 N GLN A 34 -12.965 -0.733 3.018 1.00 0.00 N ATOM 582 CA GLN A 34 -12.695 0.179 4.157 1.00 0.00 C ATOM 583 C GLN A 34 -12.217 1.518 3.606 1.00 0.00 C ATOM 584 O GLN A 34 -11.508 1.584 2.622 1.00 0.00 O ATOM 585 CB GLN A 34 -11.615 -0.408 5.068 1.00 0.00 C ATOM 586 CG GLN A 34 -11.303 0.583 6.190 1.00 0.00 C ATOM 587 CD GLN A 34 -12.602 1.186 6.731 1.00 0.00 C ATOM 588 OE1 GLN A 34 -12.902 2.336 6.480 1.00 0.00 O ATOM 589 NE2 GLN A 34 -13.390 0.451 7.466 1.00 0.00 N ATOM 0 H GLN A 34 -12.569 -0.439 2.125 1.00 0.00 H new ATOM 0 HA GLN A 34 -13.608 0.310 4.738 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -11.953 -1.355 5.488 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -10.713 -0.619 4.493 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -10.764 0.079 6.992 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -10.652 1.374 5.817 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -13.137 -0.515 7.676 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -14.259 0.842 7.830 1.00 0.00 H new ATOM 598 N ARG A 35 -12.603 2.579 4.236 1.00 0.00 N ATOM 599 CA ARG A 35 -12.189 3.928 3.763 1.00 0.00 C ATOM 600 C ARG A 35 -11.206 4.533 4.761 1.00 0.00 C ATOM 601 O ARG A 35 -10.684 5.611 4.560 1.00 0.00 O ATOM 602 CB ARG A 35 -13.422 4.826 3.658 1.00 0.00 C ATOM 603 CG ARG A 35 -14.613 4.137 4.325 1.00 0.00 C ATOM 604 CD ARG A 35 -15.873 4.970 4.097 1.00 0.00 C ATOM 605 NE ARG A 35 -16.905 4.588 5.104 1.00 0.00 N ATOM 606 CZ ARG A 35 -17.953 5.346 5.287 1.00 0.00 C ATOM 607 NH1 ARG A 35 -18.103 6.433 4.580 1.00 0.00 N ATOM 608 NH2 ARG A 35 -18.851 5.015 6.175 1.00 0.00 N ATOM 0 H ARG A 35 -13.194 2.576 5.068 1.00 0.00 H new ATOM 0 HA ARG A 35 -11.713 3.844 2.786 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -13.228 5.785 4.137 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -13.647 5.032 2.612 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -14.746 3.136 3.914 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -14.429 4.021 5.393 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -15.641 6.032 4.182 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -16.254 4.806 3.089 1.00 0.00 H new ATOM 0 HE ARG A 35 -16.792 3.734 5.650 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -17.402 6.690 3.885 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -18.921 7.025 4.722 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -18.734 4.165 6.726 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -19.669 5.607 6.318 1.00 0.00 H new ATOM 622 N TYR A 36 -10.953 3.849 5.839 1.00 0.00 N ATOM 623 CA TYR A 36 -10.003 4.393 6.850 1.00 0.00 C ATOM 624 C TYR A 36 -9.343 3.250 7.623 1.00 0.00 C ATOM 625 O TYR A 36 -9.349 3.234 8.837 1.00 0.00 O ATOM 626 CB TYR A 36 -10.759 5.290 7.834 1.00 0.00 C ATOM 627 CG TYR A 36 -12.162 4.784 8.005 1.00 0.00 C ATOM 628 CD1 TYR A 36 -12.367 3.617 8.717 1.00 0.00 C ATOM 629 CD2 TYR A 36 -13.248 5.480 7.462 1.00 0.00 C ATOM 630 CE1 TYR A 36 -13.661 3.118 8.900 1.00 0.00 C ATOM 631 CE2 TYR A 36 -14.548 4.989 7.639 1.00 0.00 C ATOM 632 CZ TYR A 36 -14.755 3.806 8.360 1.00 0.00 C ATOM 633 OH TYR A 36 -16.034 3.318 8.539 1.00 0.00 O ATOM 0 H TYR A 36 -11.360 2.941 6.065 1.00 0.00 H new ATOM 0 HA TYR A 36 -9.235 4.971 6.335 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -10.247 5.303 8.796 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -10.774 6.316 7.467 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -11.523 3.087 9.134 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -13.084 6.393 6.908 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -13.816 2.205 9.456 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -15.389 5.522 7.220 1.00 0.00 H new ATOM 0 HH TYR A 36 -16.676 3.915 8.102 1.00 0.00 H new ATOM 643 N LEU A 37 -8.770 2.299 6.935 1.00 0.00 N ATOM 644 CA LEU A 37 -8.108 1.166 7.645 1.00 0.00 C ATOM 645 C LEU A 37 -7.506 1.678 8.954 1.00 0.00 C ATOM 646 O LEU A 37 -6.738 2.620 8.973 1.00 0.00 O ATOM 647 CB LEU A 37 -7.014 0.570 6.753 1.00 0.00 C ATOM 648 CG LEU A 37 -7.353 -0.891 6.412 1.00 0.00 C ATOM 649 CD1 LEU A 37 -8.543 -0.912 5.461 1.00 0.00 C ATOM 650 CD2 LEU A 37 -6.151 -1.560 5.738 1.00 0.00 C ATOM 0 H LEU A 37 -8.731 2.257 5.917 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.839 0.389 7.867 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.921 1.154 5.837 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.051 0.620 7.262 1.00 0.00 H new ATOM 0 HG LEU A 37 -7.596 -1.433 7.326 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.792 -1.944 5.212 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -9.400 -0.437 5.939 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.290 -0.370 4.550 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.397 -2.595 5.499 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.903 -1.025 4.821 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.296 -1.537 6.414 1.00 0.00 H new ATOM 662 N SER A 38 -7.867 1.073 10.051 1.00 0.00 N ATOM 663 CA SER A 38 -7.348 1.524 11.363 1.00 0.00 C ATOM 664 C SER A 38 -6.527 0.413 11.999 1.00 0.00 C ATOM 665 O SER A 38 -5.806 -0.298 11.347 1.00 0.00 O ATOM 666 CB SER A 38 -8.518 1.874 12.275 1.00 0.00 C ATOM 667 OG SER A 38 -9.496 2.594 11.534 1.00 0.00 O ATOM 0 H SER A 38 -8.505 0.279 10.090 1.00 0.00 H new ATOM 0 HA SER A 38 -6.718 2.402 11.220 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.955 0.965 12.689 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.171 2.472 13.117 1.00 0.00 H new ATOM 0 HG SER A 38 -9.140 2.810 10.647 1.00 0.00 H new ATOM 673 N ALA A 39 -6.641 0.262 13.272 1.00 0.00 N ATOM 674 CA ALA A 39 -5.863 -0.799 13.971 1.00 0.00 C ATOM 675 C ALA A 39 -6.607 -2.132 13.876 1.00 0.00 C ATOM 676 O ALA A 39 -5.997 -3.182 13.834 1.00 0.00 O ATOM 677 CB ALA A 39 -5.682 -0.405 15.438 1.00 0.00 C ATOM 0 H ALA A 39 -7.241 0.827 13.873 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.885 -0.907 13.501 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.113 -1.178 15.955 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.145 0.542 15.497 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.659 -0.297 15.909 1.00 0.00 H new ATOM 683 N PRO A 40 -7.907 -2.044 13.834 1.00 0.00 N ATOM 684 CA PRO A 40 -8.699 -3.277 13.730 1.00 0.00 C ATOM 685 C PRO A 40 -8.995 -3.637 12.279 1.00 0.00 C ATOM 686 O PRO A 40 -9.184 -4.787 11.938 1.00 0.00 O ATOM 687 CB PRO A 40 -9.974 -3.047 14.492 1.00 0.00 C ATOM 688 CG PRO A 40 -9.880 -1.638 15.012 1.00 0.00 C ATOM 689 CD PRO A 40 -8.461 -1.141 14.836 1.00 0.00 C ATOM 0 HA PRO A 40 -8.140 -4.116 14.145 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -10.844 -3.171 13.848 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -10.078 -3.761 15.309 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.575 -0.992 14.475 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -10.162 -1.605 16.064 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.437 -0.105 14.499 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -7.901 -1.186 15.770 1.00 0.00 H new ATOM 697 N GLU A 41 -9.039 -2.659 11.417 1.00 0.00 N ATOM 698 CA GLU A 41 -9.322 -2.935 9.992 1.00 0.00 C ATOM 699 C GLU A 41 -8.019 -3.253 9.288 1.00 0.00 C ATOM 700 O GLU A 41 -7.930 -4.163 8.490 1.00 0.00 O ATOM 701 CB GLU A 41 -9.933 -1.695 9.358 1.00 0.00 C ATOM 702 CG GLU A 41 -11.412 -1.922 9.134 1.00 0.00 C ATOM 703 CD GLU A 41 -12.138 -1.975 10.479 1.00 0.00 C ATOM 704 OE1 GLU A 41 -12.411 -0.918 11.024 1.00 0.00 O ATOM 705 OE2 GLU A 41 -12.410 -3.071 10.941 1.00 0.00 O ATOM 0 H GLU A 41 -8.889 -1.676 11.646 1.00 0.00 H new ATOM 0 HA GLU A 41 -10.011 -3.775 9.905 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.780 -0.830 10.004 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -9.440 -1.477 8.411 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.823 -1.121 8.520 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.568 -2.853 8.589 1.00 0.00 H new ATOM 712 N ARG A 42 -7.000 -2.509 9.589 1.00 0.00 N ATOM 713 CA ARG A 42 -5.700 -2.772 8.947 1.00 0.00 C ATOM 714 C ARG A 42 -5.368 -4.243 9.160 1.00 0.00 C ATOM 715 O ARG A 42 -5.198 -4.999 8.225 1.00 0.00 O ATOM 716 CB ARG A 42 -4.621 -1.924 9.587 1.00 0.00 C ATOM 717 CG ARG A 42 -4.668 -0.468 9.100 1.00 0.00 C ATOM 718 CD ARG A 42 -3.697 0.376 9.926 1.00 0.00 C ATOM 719 NE ARG A 42 -4.443 1.312 10.812 1.00 0.00 N ATOM 720 CZ ARG A 42 -3.883 1.753 11.905 1.00 0.00 C ATOM 721 NH1 ARG A 42 -2.704 1.318 12.256 1.00 0.00 N ATOM 722 NH2 ARG A 42 -4.513 2.613 12.660 1.00 0.00 N ATOM 0 H ARG A 42 -7.014 -1.733 10.251 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.751 -2.530 7.885 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -4.737 -1.948 10.671 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.644 -2.350 9.361 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.403 -0.418 8.044 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.680 -0.074 9.194 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.061 -0.274 10.527 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -3.040 0.939 9.263 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.388 1.607 10.566 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -2.220 0.633 11.676 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -2.267 1.663 13.110 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.442 2.940 12.395 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -4.076 2.958 13.514 1.00 0.00 H new ATOM 736 N GLU A 43 -5.304 -4.655 10.396 1.00 0.00 N ATOM 737 CA GLU A 43 -5.018 -6.081 10.691 1.00 0.00 C ATOM 738 C GLU A 43 -5.725 -6.934 9.634 1.00 0.00 C ATOM 739 O GLU A 43 -5.312 -8.032 9.318 1.00 0.00 O ATOM 740 CB GLU A 43 -5.578 -6.412 12.065 1.00 0.00 C ATOM 741 CG GLU A 43 -4.483 -6.225 13.112 1.00 0.00 C ATOM 742 CD GLU A 43 -3.306 -7.159 12.813 1.00 0.00 C ATOM 743 OE1 GLU A 43 -3.454 -8.010 11.953 1.00 0.00 O ATOM 744 OE2 GLU A 43 -2.278 -7.005 13.452 1.00 0.00 O ATOM 0 H GLU A 43 -5.438 -4.061 11.215 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.946 -6.276 10.676 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.427 -5.766 12.290 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.944 -7.438 12.084 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.144 -5.189 13.114 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.879 -6.433 14.106 1.00 0.00 H new ATOM 751 N HIS A 44 -6.787 -6.418 9.069 1.00 0.00 N ATOM 752 CA HIS A 44 -7.504 -7.178 8.011 1.00 0.00 C ATOM 753 C HIS A 44 -6.578 -7.246 6.805 1.00 0.00 C ATOM 754 O HIS A 44 -6.322 -8.300 6.259 1.00 0.00 O ATOM 755 CB HIS A 44 -8.800 -6.457 7.631 1.00 0.00 C ATOM 756 CG HIS A 44 -9.711 -7.412 6.909 1.00 0.00 C ATOM 757 ND1 HIS A 44 -10.683 -8.148 7.567 1.00 0.00 N ATOM 758 CD2 HIS A 44 -9.810 -7.761 5.584 1.00 0.00 C ATOM 759 CE1 HIS A 44 -11.320 -8.895 6.647 1.00 0.00 C ATOM 760 NE2 HIS A 44 -10.826 -8.697 5.422 1.00 0.00 N ATOM 0 H HIS A 44 -7.184 -5.506 9.296 1.00 0.00 H new ATOM 0 HA HIS A 44 -7.764 -8.177 8.362 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -9.292 -6.074 8.525 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -8.579 -5.599 6.997 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -9.193 -7.368 4.789 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -12.131 -9.572 6.872 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -11.129 -9.138 4.554 1.00 0.00 H new ATOM 768 N LEU A 45 -6.035 -6.125 6.415 1.00 0.00 N ATOM 769 CA LEU A 45 -5.081 -6.126 5.279 1.00 0.00 C ATOM 770 C LEU A 45 -3.961 -7.065 5.652 1.00 0.00 C ATOM 771 O LEU A 45 -3.752 -8.106 5.070 1.00 0.00 O ATOM 772 CB LEU A 45 -4.485 -4.714 5.091 1.00 0.00 C ATOM 773 CG LEU A 45 -3.340 -4.735 4.127 1.00 0.00 C ATOM 774 CD1 LEU A 45 -2.089 -5.339 4.801 1.00 0.00 C ATOM 775 CD2 LEU A 45 -3.878 -5.487 2.903 1.00 0.00 C ATOM 0 H LEU A 45 -6.212 -5.213 6.835 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.582 -6.428 4.359 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.257 -4.036 4.728 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.147 -4.328 6.053 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.994 -3.752 3.807 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.262 -5.349 4.091 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.816 -4.736 5.667 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.305 -6.358 5.122 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.099 -5.549 2.143 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.179 -6.493 3.197 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.739 -4.955 2.498 1.00 0.00 H new ATOM 787 N THR A 46 -3.234 -6.665 6.634 1.00 0.00 N ATOM 788 CA THR A 46 -2.090 -7.449 7.122 1.00 0.00 C ATOM 789 C THR A 46 -2.330 -8.930 6.827 1.00 0.00 C ATOM 790 O THR A 46 -1.568 -9.552 6.119 1.00 0.00 O ATOM 791 CB THR A 46 -2.003 -7.131 8.600 1.00 0.00 C ATOM 792 OG1 THR A 46 -3.266 -7.360 9.180 1.00 0.00 O ATOM 793 CG2 THR A 46 -1.610 -5.661 8.723 1.00 0.00 C ATOM 0 H THR A 46 -3.391 -5.793 7.139 1.00 0.00 H new ATOM 0 HA THR A 46 -1.145 -7.206 6.636 1.00 0.00 H new ATOM 0 HB THR A 46 -1.268 -7.754 9.110 1.00 0.00 H new ATOM 0 HG1 THR A 46 -3.304 -8.274 9.531 1.00 0.00 H new ATOM 0 HG21 THR A 46 -1.536 -5.391 9.776 1.00 0.00 H new ATOM 0 HG22 THR A 46 -0.647 -5.500 8.239 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.366 -5.041 8.241 1.00 0.00 H new ATOM 801 N SER A 47 -3.401 -9.500 7.296 1.00 0.00 N ATOM 802 CA SER A 47 -3.650 -10.921 6.946 1.00 0.00 C ATOM 803 C SER A 47 -3.440 -11.055 5.434 1.00 0.00 C ATOM 804 O SER A 47 -2.585 -11.786 4.972 1.00 0.00 O ATOM 805 CB SER A 47 -5.087 -11.300 7.308 1.00 0.00 C ATOM 806 OG SER A 47 -5.739 -11.825 6.158 1.00 0.00 O ATOM 0 H SER A 47 -4.100 -9.056 7.892 1.00 0.00 H new ATOM 0 HA SER A 47 -2.976 -11.581 7.492 1.00 0.00 H new ATOM 0 HB2 SER A 47 -5.089 -12.038 8.110 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.624 -10.426 7.677 1.00 0.00 H new ATOM 0 HG SER A 47 -6.660 -12.070 6.387 1.00 0.00 H new ATOM 812 N LEU A 48 -4.213 -10.333 4.663 1.00 0.00 N ATOM 813 CA LEU A 48 -4.091 -10.366 3.196 1.00 0.00 C ATOM 814 C LEU A 48 -2.632 -10.328 2.744 1.00 0.00 C ATOM 815 O LEU A 48 -2.024 -11.350 2.498 1.00 0.00 O ATOM 816 CB LEU A 48 -4.825 -9.139 2.654 1.00 0.00 C ATOM 817 CG LEU A 48 -6.146 -9.590 2.094 1.00 0.00 C ATOM 818 CD1 LEU A 48 -7.022 -10.142 3.222 1.00 0.00 C ATOM 819 CD2 LEU A 48 -6.858 -8.418 1.421 1.00 0.00 C ATOM 0 H LEU A 48 -4.940 -9.708 5.011 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.519 -11.294 2.818 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.978 -8.407 3.447 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.231 -8.652 1.881 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.969 -10.371 1.355 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.979 -10.468 2.814 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.520 -10.988 3.691 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.192 -9.363 3.965 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.813 -8.755 1.019 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.030 -7.629 2.152 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.239 -8.033 0.611 1.00 0.00 H new ATOM 831 N ILE A 49 -2.083 -9.157 2.577 1.00 0.00 N ATOM 832 CA ILE A 49 -0.681 -9.075 2.075 1.00 0.00 C ATOM 833 C ILE A 49 0.287 -8.633 3.188 1.00 0.00 C ATOM 834 O ILE A 49 1.228 -7.897 2.962 1.00 0.00 O ATOM 835 CB ILE A 49 -0.628 -8.154 0.829 1.00 0.00 C ATOM 836 CG1 ILE A 49 -0.432 -6.665 1.174 1.00 0.00 C ATOM 837 CG2 ILE A 49 -1.936 -8.282 0.035 1.00 0.00 C ATOM 838 CD1 ILE A 49 -1.136 -6.311 2.465 1.00 0.00 C ATOM 0 H ILE A 49 -2.537 -8.263 2.763 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.348 -10.067 1.768 1.00 0.00 H new ATOM 0 HB ILE A 49 0.234 -8.482 0.249 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.632 -6.446 1.264 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.818 -6.046 0.364 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.895 -7.633 -0.840 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.068 -9.316 -0.285 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.775 -7.988 0.666 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.982 -5.255 2.686 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.203 -6.509 2.364 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.731 -6.914 3.278 1.00 0.00 H new ATOM 850 N ARG A 50 0.073 -9.134 4.380 1.00 0.00 N ATOM 851 CA ARG A 50 0.961 -8.840 5.540 1.00 0.00 C ATOM 852 C ARG A 50 1.209 -7.360 5.782 1.00 0.00 C ATOM 853 O ARG A 50 0.988 -6.875 6.872 1.00 0.00 O ATOM 854 CB ARG A 50 2.295 -9.539 5.329 1.00 0.00 C ATOM 855 CG ARG A 50 2.060 -10.997 4.923 1.00 0.00 C ATOM 856 CD ARG A 50 1.769 -11.094 3.423 1.00 0.00 C ATOM 857 NE ARG A 50 2.457 -12.292 2.866 1.00 0.00 N ATOM 858 CZ ARG A 50 2.115 -12.756 1.696 1.00 0.00 C ATOM 859 NH1 ARG A 50 1.166 -12.172 1.016 1.00 0.00 N ATOM 860 NH2 ARG A 50 2.719 -13.804 1.208 1.00 0.00 N ATOM 0 H ARG A 50 -0.707 -9.754 4.600 1.00 0.00 H new ATOM 0 HA ARG A 50 0.442 -9.210 6.425 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.867 -9.025 4.557 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.886 -9.498 6.244 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.937 -11.595 5.169 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.224 -11.409 5.489 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.695 -11.165 3.253 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.113 -10.193 2.915 1.00 0.00 H new ATOM 0 HE ARG A 50 3.196 -12.750 3.400 1.00 0.00 H new ATOM 0 HH11 ARG A 50 0.693 -11.354 1.400 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.898 -12.534 0.101 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.459 -14.261 1.741 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.451 -14.167 0.293 1.00 0.00 H new ATOM 874 N LEU A 51 1.729 -6.676 4.816 1.00 0.00 N ATOM 875 CA LEU A 51 2.087 -5.225 5.003 1.00 0.00 C ATOM 876 C LEU A 51 1.648 -4.750 6.392 1.00 0.00 C ATOM 877 O LEU A 51 0.637 -4.104 6.556 1.00 0.00 O ATOM 878 CB LEU A 51 1.495 -4.336 3.897 1.00 0.00 C ATOM 879 CG LEU A 51 2.534 -4.123 2.788 1.00 0.00 C ATOM 880 CD1 LEU A 51 1.830 -3.627 1.525 1.00 0.00 C ATOM 881 CD2 LEU A 51 3.568 -3.080 3.225 1.00 0.00 C ATOM 0 H LEU A 51 1.930 -7.050 3.889 1.00 0.00 H new ATOM 0 HA LEU A 51 3.171 -5.135 4.928 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.600 -4.801 3.484 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.192 -3.375 4.313 1.00 0.00 H new ATOM 0 HG LEU A 51 3.039 -5.068 2.590 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.565 -3.474 0.735 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.098 -4.367 1.202 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.324 -2.685 1.737 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.300 -2.938 2.430 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.066 -2.134 3.430 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.074 -3.425 4.126 1.00 0.00 H new ATOM 893 N THR A 52 2.419 -5.114 7.394 1.00 0.00 N ATOM 894 CA THR A 52 2.106 -4.750 8.814 1.00 0.00 C ATOM 895 C THR A 52 1.060 -3.641 8.887 1.00 0.00 C ATOM 896 O THR A 52 1.128 -2.676 8.158 1.00 0.00 O ATOM 897 CB THR A 52 3.375 -4.277 9.513 1.00 0.00 C ATOM 898 OG1 THR A 52 4.115 -3.438 8.639 1.00 0.00 O ATOM 899 CG2 THR A 52 4.224 -5.485 9.910 1.00 0.00 C ATOM 0 H THR A 52 3.272 -5.661 7.282 1.00 0.00 H new ATOM 0 HA THR A 52 1.708 -5.637 9.307 1.00 0.00 H new ATOM 0 HB THR A 52 3.107 -3.717 10.409 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.930 -3.133 9.090 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.131 -5.144 10.410 1.00 0.00 H new ATOM 0 HG22 THR A 52 3.655 -6.123 10.586 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.492 -6.050 9.017 1.00 0.00 H new ATOM 907 N PRO A 53 0.119 -3.827 9.775 1.00 0.00 N ATOM 908 CA PRO A 53 -0.949 -2.818 9.910 1.00 0.00 C ATOM 909 C PRO A 53 -0.433 -1.412 9.599 1.00 0.00 C ATOM 910 O PRO A 53 -0.799 -0.820 8.605 1.00 0.00 O ATOM 911 CB PRO A 53 -1.439 -2.907 11.356 1.00 0.00 C ATOM 912 CG PRO A 53 -0.662 -4.047 12.034 1.00 0.00 C ATOM 913 CD PRO A 53 0.304 -4.635 11.000 1.00 0.00 C ATOM 0 HA PRO A 53 -1.755 -3.011 9.202 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.271 -1.965 11.877 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -2.511 -3.101 11.387 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.114 -3.674 12.900 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -1.347 -4.814 12.396 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.334 -4.582 11.352 1.00 0.00 H new ATOM 0 HD3 PRO A 53 0.085 -5.686 10.813 1.00 0.00 H new ATOM 921 N THR A 54 0.397 -0.857 10.434 1.00 0.00 N ATOM 922 CA THR A 54 0.892 0.511 10.144 1.00 0.00 C ATOM 923 C THR A 54 1.334 0.579 8.682 1.00 0.00 C ATOM 924 O THR A 54 0.827 1.370 7.913 1.00 0.00 O ATOM 925 CB THR A 54 2.061 0.865 11.062 1.00 0.00 C ATOM 926 OG1 THR A 54 1.583 1.038 12.389 1.00 0.00 O ATOM 927 CG2 THR A 54 2.700 2.165 10.573 1.00 0.00 C ATOM 0 H THR A 54 0.749 -1.284 11.291 1.00 0.00 H new ATOM 0 HA THR A 54 0.091 1.229 10.322 1.00 0.00 H new ATOM 0 HB THR A 54 2.800 0.064 11.048 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.332 1.263 12.980 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.536 2.426 11.222 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.060 2.032 9.553 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.960 2.965 10.595 1.00 0.00 H new ATOM 935 N GLN A 55 2.262 -0.252 8.281 1.00 0.00 N ATOM 936 CA GLN A 55 2.710 -0.223 6.862 1.00 0.00 C ATOM 937 C GLN A 55 1.487 -0.054 5.960 1.00 0.00 C ATOM 938 O GLN A 55 1.554 0.573 4.921 1.00 0.00 O ATOM 939 CB GLN A 55 3.430 -1.529 6.512 1.00 0.00 C ATOM 940 CG GLN A 55 4.878 -1.467 7.003 1.00 0.00 C ATOM 941 CD GLN A 55 5.695 -0.552 6.087 1.00 0.00 C ATOM 942 OE1 GLN A 55 6.671 0.033 6.512 1.00 0.00 O ATOM 943 NE2 GLN A 55 5.337 -0.402 4.841 1.00 0.00 N ATOM 0 H GLN A 55 2.724 -0.943 8.872 1.00 0.00 H new ATOM 0 HA GLN A 55 3.399 0.609 6.715 1.00 0.00 H new ATOM 0 HB2 GLN A 55 2.916 -2.373 6.971 1.00 0.00 H new ATOM 0 HB3 GLN A 55 3.408 -1.690 5.434 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.909 -1.094 8.027 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.311 -2.467 7.014 1.00 0.00 H new ATOM 0 HE21 GLN A 55 4.518 -0.893 4.483 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.877 0.206 4.225 1.00 0.00 H new ATOM 952 N VAL A 56 0.365 -0.599 6.351 1.00 0.00 N ATOM 953 CA VAL A 56 -0.857 -0.451 5.512 1.00 0.00 C ATOM 954 C VAL A 56 -1.270 1.013 5.501 1.00 0.00 C ATOM 955 O VAL A 56 -1.502 1.601 4.464 1.00 0.00 O ATOM 956 CB VAL A 56 -2.012 -1.276 6.093 1.00 0.00 C ATOM 957 CG1 VAL A 56 -3.086 -1.433 5.028 1.00 0.00 C ATOM 958 CG2 VAL A 56 -1.532 -2.663 6.517 1.00 0.00 C ATOM 0 H VAL A 56 0.244 -1.136 7.209 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.637 -0.802 4.504 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.406 -0.759 6.968 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.913 -2.018 5.429 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.449 -0.449 4.729 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.667 -1.944 4.161 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.369 -3.229 6.926 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.127 -3.188 5.652 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.756 -2.563 7.276 1.00 0.00 H new ATOM 968 N LYS A 57 -1.366 1.603 6.652 1.00 0.00 N ATOM 969 CA LYS A 57 -1.767 3.026 6.726 1.00 0.00 C ATOM 970 C LYS A 57 -0.754 3.867 5.960 1.00 0.00 C ATOM 971 O LYS A 57 -1.089 4.581 5.034 1.00 0.00 O ATOM 972 CB LYS A 57 -1.766 3.460 8.183 1.00 0.00 C ATOM 973 CG LYS A 57 -2.921 4.430 8.469 1.00 0.00 C ATOM 974 CD LYS A 57 -3.388 4.261 9.921 1.00 0.00 C ATOM 975 CE LYS A 57 -2.198 3.902 10.816 1.00 0.00 C ATOM 976 NZ LYS A 57 -2.490 4.313 12.218 1.00 0.00 N ATOM 0 H LYS A 57 -1.183 1.157 7.551 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.760 3.157 6.296 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.853 2.585 8.827 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.817 3.939 8.423 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.598 5.457 8.298 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.748 4.238 7.786 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.852 5.183 10.272 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -4.146 3.480 9.979 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.007 2.830 10.772 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.297 4.401 10.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.935 5.160 12.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.504 4.525 12.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.235 3.541 12.866 1.00 0.00 H new ATOM 990 N ILE A 58 0.490 3.792 6.348 1.00 0.00 N ATOM 991 CA ILE A 58 1.528 4.589 5.651 1.00 0.00 C ATOM 992 C ILE A 58 1.328 4.454 4.139 1.00 0.00 C ATOM 993 O ILE A 58 1.587 5.376 3.390 1.00 0.00 O ATOM 994 CB ILE A 58 2.929 4.094 6.036 1.00 0.00 C ATOM 995 CG1 ILE A 58 2.973 3.694 7.519 1.00 0.00 C ATOM 996 CG2 ILE A 58 3.947 5.210 5.785 1.00 0.00 C ATOM 997 CD1 ILE A 58 2.260 4.740 8.380 1.00 0.00 C ATOM 0 H ILE A 58 0.828 3.213 7.117 1.00 0.00 H new ATOM 0 HA ILE A 58 1.438 5.635 5.945 1.00 0.00 H new ATOM 0 HB ILE A 58 3.171 3.222 5.429 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.500 2.721 7.653 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.009 3.593 7.843 1.00 0.00 H new ATOM 0 HG21 ILE A 58 4.943 4.862 6.057 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.934 5.484 4.730 1.00 0.00 H new ATOM 0 HG23 ILE A 58 3.689 6.080 6.389 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.302 4.439 9.427 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.751 5.706 8.260 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.219 4.821 8.067 1.00 0.00 H new ATOM 1009 N TRP A 59 0.859 3.322 3.677 1.00 0.00 N ATOM 1010 CA TRP A 59 0.639 3.163 2.211 1.00 0.00 C ATOM 1011 C TRP A 59 -0.542 4.040 1.791 1.00 0.00 C ATOM 1012 O TRP A 59 -0.476 4.766 0.819 1.00 0.00 O ATOM 1013 CB TRP A 59 0.328 1.703 1.879 1.00 0.00 C ATOM 1014 CG TRP A 59 -0.309 1.632 0.527 1.00 0.00 C ATOM 1015 CD1 TRP A 59 0.362 1.627 -0.648 1.00 0.00 C ATOM 1016 CD2 TRP A 59 -1.724 1.563 0.191 1.00 0.00 C ATOM 1017 NE1 TRP A 59 -0.553 1.559 -1.684 1.00 0.00 N ATOM 1018 CE2 TRP A 59 -1.852 1.517 -1.217 1.00 0.00 C ATOM 1019 CE3 TRP A 59 -2.898 1.536 0.965 1.00 0.00 C ATOM 1020 CZ2 TRP A 59 -3.101 1.446 -1.836 1.00 0.00 C ATOM 1021 CZ3 TRP A 59 -4.157 1.464 0.345 1.00 0.00 C ATOM 1022 CH2 TRP A 59 -4.258 1.420 -1.052 1.00 0.00 C ATOM 0 H TRP A 59 0.622 2.510 4.247 1.00 0.00 H new ATOM 0 HA TRP A 59 1.540 3.462 1.676 1.00 0.00 H new ATOM 0 HB2 TRP A 59 1.243 1.111 1.895 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -0.338 1.280 2.631 1.00 0.00 H new ATOM 0 HD1 TRP A 59 1.435 1.669 -0.759 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -0.299 1.542 -2.672 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -2.831 1.571 2.042 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -3.173 1.411 -2.913 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -5.052 1.442 0.949 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -5.229 1.366 -1.522 1.00 0.00 H new ATOM 1033 N PHE A 60 -1.624 3.979 2.522 1.00 0.00 N ATOM 1034 CA PHE A 60 -2.812 4.811 2.170 1.00 0.00 C ATOM 1035 C PHE A 60 -2.367 6.247 1.881 1.00 0.00 C ATOM 1036 O PHE A 60 -2.609 6.776 0.817 1.00 0.00 O ATOM 1037 CB PHE A 60 -3.803 4.818 3.338 1.00 0.00 C ATOM 1038 CG PHE A 60 -4.830 3.731 3.133 1.00 0.00 C ATOM 1039 CD1 PHE A 60 -4.552 2.425 3.545 1.00 0.00 C ATOM 1040 CD2 PHE A 60 -6.058 4.028 2.528 1.00 0.00 C ATOM 1041 CE1 PHE A 60 -5.497 1.413 3.353 1.00 0.00 C ATOM 1042 CE2 PHE A 60 -7.007 3.014 2.336 1.00 0.00 C ATOM 1043 CZ PHE A 60 -6.725 1.706 2.750 1.00 0.00 C ATOM 0 H PHE A 60 -1.736 3.390 3.347 1.00 0.00 H new ATOM 0 HA PHE A 60 -3.292 4.391 1.286 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -3.274 4.661 4.278 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -4.294 5.789 3.407 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -3.605 2.197 4.013 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -6.274 5.037 2.210 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -5.279 0.404 3.670 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -7.954 3.241 1.870 1.00 0.00 H new ATOM 0 HZ PHE A 60 -7.455 0.924 2.604 1.00 0.00 H new ATOM 1053 N GLN A 61 -1.724 6.879 2.826 1.00 0.00 N ATOM 1054 CA GLN A 61 -1.264 8.285 2.621 1.00 0.00 C ATOM 1055 C GLN A 61 -0.959 8.527 1.140 1.00 0.00 C ATOM 1056 O GLN A 61 -1.726 9.150 0.432 1.00 0.00 O ATOM 1057 CB GLN A 61 0.002 8.530 3.445 1.00 0.00 C ATOM 1058 CG GLN A 61 0.425 9.994 3.307 1.00 0.00 C ATOM 1059 CD GLN A 61 1.806 10.192 3.935 1.00 0.00 C ATOM 1060 OE1 GLN A 61 2.235 11.308 4.150 1.00 0.00 O ATOM 1061 NE2 GLN A 61 2.526 9.147 4.239 1.00 0.00 N ATOM 0 H GLN A 61 -1.496 6.480 3.737 1.00 0.00 H new ATOM 0 HA GLN A 61 -2.051 8.968 2.940 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.181 8.290 4.492 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.804 7.875 3.103 1.00 0.00 H new ATOM 0 HG2 GLN A 61 0.449 10.278 2.255 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -0.304 10.641 3.796 1.00 0.00 H new ATOM 0 HE21 GLN A 61 2.166 8.210 4.059 1.00 0.00 H new ATOM 0 HE22 GLN A 61 3.449 9.267 4.657 1.00 0.00 H new ATOM 1070 N ASN A 62 0.158 8.046 0.669 1.00 0.00 N ATOM 1071 CA ASN A 62 0.516 8.253 -0.764 1.00 0.00 C ATOM 1072 C ASN A 62 -0.715 8.034 -1.648 1.00 0.00 C ATOM 1073 O ASN A 62 -0.923 8.733 -2.620 1.00 0.00 O ATOM 1074 CB ASN A 62 1.612 7.261 -1.161 1.00 0.00 C ATOM 1075 CG ASN A 62 2.634 7.959 -2.060 1.00 0.00 C ATOM 1076 OD1 ASN A 62 3.526 8.628 -1.579 1.00 0.00 O ATOM 1077 ND2 ASN A 62 2.542 7.830 -3.355 1.00 0.00 N ATOM 0 H ASN A 62 0.839 7.518 1.214 1.00 0.00 H new ATOM 0 HA ASN A 62 0.876 9.273 -0.900 1.00 0.00 H new ATOM 0 HB2 ASN A 62 2.103 6.870 -0.270 1.00 0.00 H new ATOM 0 HB3 ASN A 62 1.175 6.410 -1.683 1.00 0.00 H new ATOM 0 HD21 ASN A 62 3.219 8.291 -3.963 1.00 0.00 H new ATOM 0 HD22 ASN A 62 1.793 7.268 -3.760 1.00 0.00 H new ATOM 1084 N HIS A 63 -1.529 7.064 -1.327 1.00 0.00 N ATOM 1085 CA HIS A 63 -2.739 6.801 -2.160 1.00 0.00 C ATOM 1086 C HIS A 63 -3.881 7.724 -1.730 1.00 0.00 C ATOM 1087 O HIS A 63 -4.486 8.395 -2.542 1.00 0.00 O ATOM 1088 CB HIS A 63 -3.172 5.346 -1.984 1.00 0.00 C ATOM 1089 CG HIS A 63 -2.679 4.531 -3.147 1.00 0.00 C ATOM 1090 ND1 HIS A 63 -3.502 3.657 -3.838 1.00 0.00 N ATOM 1091 CD2 HIS A 63 -1.450 4.449 -3.755 1.00 0.00 C ATOM 1092 CE1 HIS A 63 -2.766 3.092 -4.813 1.00 0.00 C ATOM 1093 NE2 HIS A 63 -1.508 3.540 -4.807 1.00 0.00 N ATOM 0 H HIS A 63 -1.409 6.444 -0.526 1.00 0.00 H new ATOM 0 HA HIS A 63 -2.499 6.990 -3.206 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -2.773 4.947 -1.052 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -4.258 5.284 -1.918 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -0.572 5.005 -3.461 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.147 2.365 -5.515 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -0.752 3.273 -5.438 1.00 0.00 H new ATOM 1101 N ARG A 64 -4.184 7.756 -0.460 1.00 0.00 N ATOM 1102 CA ARG A 64 -5.290 8.630 0.028 1.00 0.00 C ATOM 1103 C ARG A 64 -5.371 9.893 -0.833 1.00 0.00 C ATOM 1104 O ARG A 64 -6.441 10.345 -1.182 1.00 0.00 O ATOM 1105 CB ARG A 64 -5.022 9.020 1.482 1.00 0.00 C ATOM 1106 CG ARG A 64 -6.339 9.027 2.260 1.00 0.00 C ATOM 1107 CD ARG A 64 -7.247 10.130 1.713 1.00 0.00 C ATOM 1108 NE ARG A 64 -7.860 10.875 2.847 1.00 0.00 N ATOM 1109 CZ ARG A 64 -8.424 12.033 2.636 1.00 0.00 C ATOM 1110 NH1 ARG A 64 -8.452 12.537 1.433 1.00 0.00 N ATOM 1111 NH2 ARG A 64 -8.960 12.688 3.630 1.00 0.00 N ATOM 0 H ARG A 64 -3.712 7.213 0.263 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.234 8.090 -0.039 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -4.323 8.317 1.935 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -4.556 10.005 1.526 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.831 8.059 2.172 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.147 9.191 3.320 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.673 10.811 1.085 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.026 9.697 1.085 1.00 0.00 H new ATOM 0 HE ARG A 64 -7.839 10.481 3.788 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.033 12.026 0.656 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.893 13.442 1.269 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -8.938 12.295 4.571 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.401 13.593 3.466 1.00 0.00 H new ATOM 1125 N TYR A 65 -4.248 10.471 -1.163 1.00 0.00 N ATOM 1126 CA TYR A 65 -4.255 11.716 -1.996 1.00 0.00 C ATOM 1127 C TYR A 65 -4.616 11.394 -3.454 1.00 0.00 C ATOM 1128 O TYR A 65 -5.437 12.059 -4.053 1.00 0.00 O ATOM 1129 CB TYR A 65 -2.870 12.363 -1.944 1.00 0.00 C ATOM 1130 CG TYR A 65 -3.017 13.864 -1.884 1.00 0.00 C ATOM 1131 CD1 TYR A 65 -3.337 14.488 -0.673 1.00 0.00 C ATOM 1132 CD2 TYR A 65 -2.832 14.632 -3.041 1.00 0.00 C ATOM 1133 CE1 TYR A 65 -3.472 15.880 -0.618 1.00 0.00 C ATOM 1134 CE2 TYR A 65 -2.967 16.024 -2.985 1.00 0.00 C ATOM 1135 CZ TYR A 65 -3.287 16.648 -1.775 1.00 0.00 C ATOM 1136 OH TYR A 65 -3.420 18.020 -1.721 1.00 0.00 O ATOM 0 H TYR A 65 -3.323 10.137 -0.893 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.004 12.401 -1.598 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -2.323 12.006 -1.072 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.291 12.079 -2.823 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -3.480 13.896 0.219 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -2.585 14.150 -3.976 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -3.719 16.362 0.316 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -2.824 16.616 -3.877 1.00 0.00 H new ATOM 0 HH TYR A 65 -3.258 18.400 -2.610 1.00 0.00 H new ATOM 1146 N LYS A 66 -4.006 10.399 -4.044 1.00 0.00 N ATOM 1147 CA LYS A 66 -4.330 10.073 -5.462 1.00 0.00 C ATOM 1148 C LYS A 66 -5.645 9.290 -5.528 1.00 0.00 C ATOM 1149 O LYS A 66 -6.491 9.559 -6.358 1.00 0.00 O ATOM 1150 CB LYS A 66 -3.203 9.234 -6.065 1.00 0.00 C ATOM 1151 CG LYS A 66 -1.852 9.778 -5.596 1.00 0.00 C ATOM 1152 CD LYS A 66 -0.729 8.902 -6.153 1.00 0.00 C ATOM 1153 CE LYS A 66 0.566 9.177 -5.386 1.00 0.00 C ATOM 1154 NZ LYS A 66 1.721 9.127 -6.327 1.00 0.00 N ATOM 0 H LYS A 66 -3.303 9.803 -3.608 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.436 10.999 -6.027 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.311 8.192 -5.765 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.259 9.260 -7.153 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.726 10.807 -5.932 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.811 9.791 -4.507 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.998 7.849 -6.066 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.586 9.108 -7.214 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.516 10.154 -4.906 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.696 8.439 -4.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.602 9.314 -5.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.771 8.185 -6.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.597 9.847 -7.067 1.00 0.00 H new ATOM 1168 N THR A 67 -5.832 8.326 -4.665 1.00 0.00 N ATOM 1169 CA THR A 67 -7.101 7.547 -4.697 1.00 0.00 C ATOM 1170 C THR A 67 -8.262 8.519 -4.901 1.00 0.00 C ATOM 1171 O THR A 67 -9.365 8.135 -5.237 1.00 0.00 O ATOM 1172 CB THR A 67 -7.276 6.799 -3.372 1.00 0.00 C ATOM 1173 OG1 THR A 67 -6.618 7.512 -2.334 1.00 0.00 O ATOM 1174 CG2 THR A 67 -6.674 5.397 -3.492 1.00 0.00 C ATOM 0 H THR A 67 -5.165 8.047 -3.945 1.00 0.00 H new ATOM 0 HA THR A 67 -7.077 6.822 -5.511 1.00 0.00 H new ATOM 0 HB THR A 67 -8.338 6.718 -3.139 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.119 8.263 -2.718 1.00 0.00 H new ATOM 0 HG21 THR A 67 -6.799 4.865 -2.549 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.181 4.850 -4.287 1.00 0.00 H new ATOM 0 HG23 THR A 67 -5.612 5.476 -3.726 1.00 0.00 H new ATOM 1182 N LYS A 68 -8.010 9.784 -4.708 1.00 0.00 N ATOM 1183 CA LYS A 68 -9.074 10.808 -4.895 1.00 0.00 C ATOM 1184 C LYS A 68 -9.100 11.232 -6.364 1.00 0.00 C ATOM 1185 O LYS A 68 -10.144 11.465 -6.938 1.00 0.00 O ATOM 1186 CB LYS A 68 -8.763 12.025 -4.014 1.00 0.00 C ATOM 1187 CG LYS A 68 -7.966 11.577 -2.791 1.00 0.00 C ATOM 1188 CD LYS A 68 -7.541 12.802 -1.980 1.00 0.00 C ATOM 1189 CE LYS A 68 -8.754 13.701 -1.738 1.00 0.00 C ATOM 1190 NZ LYS A 68 -8.464 14.631 -0.611 1.00 0.00 N ATOM 0 H LYS A 68 -7.103 10.155 -4.426 1.00 0.00 H new ATOM 0 HA LYS A 68 -10.043 10.396 -4.614 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.195 12.763 -4.581 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -9.689 12.507 -3.701 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.570 10.911 -2.174 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -7.088 11.012 -3.103 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.111 12.490 -1.028 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.767 13.354 -2.514 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.987 14.267 -2.640 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -9.630 13.094 -1.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.281 14.664 0.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.628 14.296 -0.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.280 15.584 -0.986 1.00 0.00 H new ATOM 1204 N ARG A 69 -7.950 11.330 -6.975 1.00 0.00 N ATOM 1205 CA ARG A 69 -7.892 11.733 -8.408 1.00 0.00 C ATOM 1206 C ARG A 69 -8.236 10.531 -9.288 1.00 0.00 C ATOM 1207 O ARG A 69 -8.726 10.675 -10.390 1.00 0.00 O ATOM 1208 CB ARG A 69 -6.479 12.218 -8.739 1.00 0.00 C ATOM 1209 CG ARG A 69 -6.297 13.650 -8.232 1.00 0.00 C ATOM 1210 CD ARG A 69 -6.012 13.626 -6.729 1.00 0.00 C ATOM 1211 NE ARG A 69 -6.926 14.578 -6.028 1.00 0.00 N ATOM 1212 CZ ARG A 69 -7.155 15.767 -6.520 1.00 0.00 C ATOM 1213 NH1 ARG A 69 -6.530 16.169 -7.592 1.00 0.00 N ATOM 1214 NH2 ARG A 69 -8.000 16.564 -5.924 1.00 0.00 N ATOM 0 H ARG A 69 -7.045 11.147 -6.541 1.00 0.00 H new ATOM 0 HA ARG A 69 -8.607 12.535 -8.592 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.741 11.562 -8.278 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.313 12.179 -9.816 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.476 14.133 -8.761 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -7.194 14.235 -8.434 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.152 12.618 -6.339 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -4.974 13.899 -6.542 1.00 0.00 H new ATOM 0 HE ARG A 69 -7.376 14.297 -5.157 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -5.858 15.554 -8.051 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -6.713 17.098 -7.971 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -8.479 16.258 -5.077 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -8.181 17.493 -6.305 1.00 0.00 H new ATOM 1228 N ALA A 70 -7.983 9.344 -8.809 1.00 0.00 N ATOM 1229 CA ALA A 70 -8.297 8.132 -9.617 1.00 0.00 C ATOM 1230 C ALA A 70 -9.807 8.052 -9.843 1.00 0.00 C ATOM 1231 O ALA A 70 -10.270 7.508 -10.825 1.00 0.00 O ATOM 1232 CB ALA A 70 -7.824 6.884 -8.867 1.00 0.00 C ATOM 0 H ALA A 70 -7.573 9.161 -7.893 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.788 8.191 -10.579 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.053 5.996 -9.457 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.748 6.944 -8.704 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -8.334 6.822 -7.906 1.00 0.00 H new ATOM 1238 N GLN A 71 -10.579 8.590 -8.938 1.00 0.00 N ATOM 1239 CA GLN A 71 -12.059 8.544 -9.099 1.00 0.00 C ATOM 1240 C GLN A 71 -12.468 9.373 -10.319 1.00 0.00 C ATOM 1241 O GLN A 71 -13.549 9.217 -10.853 1.00 0.00 O ATOM 1242 CB GLN A 71 -12.726 9.121 -7.847 1.00 0.00 C ATOM 1243 CG GLN A 71 -12.806 8.040 -6.766 1.00 0.00 C ATOM 1244 CD GLN A 71 -13.912 7.045 -7.120 1.00 0.00 C ATOM 1245 OE1 GLN A 71 -13.706 6.144 -7.907 1.00 0.00 O ATOM 1246 NE2 GLN A 71 -15.088 7.173 -6.568 1.00 0.00 N ATOM 0 H GLN A 71 -10.248 9.059 -8.095 1.00 0.00 H new ATOM 0 HA GLN A 71 -12.376 7.510 -9.239 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -12.157 9.975 -7.480 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -13.725 9.483 -8.089 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -11.850 7.523 -6.683 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -13.008 8.495 -5.796 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -15.261 7.930 -5.907 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -15.834 6.516 -6.798 1.00 0.00 H new ATOM 1255 N ASN A 72 -11.614 10.253 -10.764 1.00 0.00 N ATOM 1256 CA ASN A 72 -11.956 11.092 -11.948 1.00 0.00 C ATOM 1257 C ASN A 72 -11.894 10.241 -13.219 1.00 0.00 C ATOM 1258 O ASN A 72 -12.653 10.437 -14.146 1.00 0.00 O ATOM 1259 CB ASN A 72 -10.962 12.247 -12.058 1.00 0.00 C ATOM 1260 CG ASN A 72 -11.600 13.396 -12.840 1.00 0.00 C ATOM 1261 OD1 ASN A 72 -12.736 13.752 -12.599 1.00 0.00 O ATOM 1262 ND2 ASN A 72 -10.913 13.995 -13.774 1.00 0.00 N ATOM 0 H ASN A 72 -10.694 10.428 -10.359 1.00 0.00 H new ATOM 0 HA ASN A 72 -12.964 11.489 -11.830 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -10.671 12.587 -11.064 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -10.053 11.913 -12.559 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -11.330 14.762 -14.301 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -9.959 13.696 -13.977 1.00 0.00 H new ATOM 1269 N GLU A 73 -11.011 9.279 -13.259 1.00 0.00 N ATOM 1270 CA GLU A 73 -10.923 8.398 -14.454 1.00 0.00 C ATOM 1271 C GLU A 73 -11.906 7.266 -14.241 1.00 0.00 C ATOM 1272 O GLU A 73 -11.747 6.171 -14.744 1.00 0.00 O ATOM 1273 CB GLU A 73 -9.505 7.840 -14.589 1.00 0.00 C ATOM 1274 CG GLU A 73 -8.535 8.980 -14.907 1.00 0.00 C ATOM 1275 CD GLU A 73 -8.710 9.405 -16.365 1.00 0.00 C ATOM 1276 OE1 GLU A 73 -8.556 8.559 -17.232 1.00 0.00 O ATOM 1277 OE2 GLU A 73 -8.994 10.570 -16.592 1.00 0.00 O ATOM 0 H GLU A 73 -10.347 9.067 -12.514 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.155 8.951 -15.364 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -9.209 7.344 -13.665 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -9.472 7.089 -15.379 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -8.722 9.826 -14.245 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -7.508 8.658 -14.731 1.00 0.00 H new ATOM 1284 N LYS A 74 -12.895 7.519 -13.441 1.00 0.00 N ATOM 1285 CA LYS A 74 -13.875 6.468 -13.113 1.00 0.00 C ATOM 1286 C LYS A 74 -15.283 7.067 -13.062 1.00 0.00 C ATOM 1287 O LYS A 74 -15.553 8.089 -13.660 1.00 0.00 O ATOM 1288 CB LYS A 74 -13.485 5.923 -11.742 1.00 0.00 C ATOM 1289 CG LYS A 74 -13.341 4.396 -11.786 1.00 0.00 C ATOM 1290 CD LYS A 74 -12.253 3.966 -10.807 1.00 0.00 C ATOM 1291 CE LYS A 74 -12.644 2.638 -10.156 1.00 0.00 C ATOM 1292 NZ LYS A 74 -13.790 2.858 -9.228 1.00 0.00 N ATOM 0 H LYS A 74 -13.065 8.421 -12.997 1.00 0.00 H new ATOM 0 HA LYS A 74 -13.876 5.677 -13.863 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -12.546 6.373 -11.420 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -14.240 6.201 -11.006 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.288 3.922 -11.527 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -13.088 4.072 -12.795 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.302 3.861 -11.328 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.115 4.731 -10.043 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.916 1.912 -10.922 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.795 2.224 -9.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.752 2.160 -8.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.734 3.817 -8.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -14.684 2.751 -9.749 1.00 0.00 H new ATOM 1306 N GLY A 75 -16.181 6.441 -12.353 1.00 0.00 N ATOM 1307 CA GLY A 75 -17.568 6.977 -12.267 1.00 0.00 C ATOM 1308 C GLY A 75 -18.551 5.825 -12.057 1.00 0.00 C ATOM 1309 O GLY A 75 -18.668 5.285 -10.975 1.00 0.00 O ATOM 0 H GLY A 75 -16.014 5.582 -11.830 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -17.644 7.688 -11.444 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -17.817 7.519 -13.180 1.00 0.00 H new ATOM 1313 N TYR A 76 -19.258 5.443 -13.084 1.00 0.00 N ATOM 1314 CA TYR A 76 -20.234 4.325 -12.944 1.00 0.00 C ATOM 1315 C TYR A 76 -19.909 3.236 -13.968 1.00 0.00 C ATOM 1316 O TYR A 76 -20.170 2.070 -13.751 1.00 0.00 O ATOM 1317 CB TYR A 76 -21.650 4.851 -13.188 1.00 0.00 C ATOM 1318 CG TYR A 76 -22.045 5.781 -12.067 1.00 0.00 C ATOM 1319 CD1 TYR A 76 -22.108 5.306 -10.752 1.00 0.00 C ATOM 1320 CD2 TYR A 76 -22.347 7.121 -12.342 1.00 0.00 C ATOM 1321 CE1 TYR A 76 -22.475 6.169 -9.712 1.00 0.00 C ATOM 1322 CE2 TYR A 76 -22.714 7.984 -11.303 1.00 0.00 C ATOM 1323 CZ TYR A 76 -22.777 7.508 -9.987 1.00 0.00 C ATOM 1324 OH TYR A 76 -23.137 8.357 -8.962 1.00 0.00 O ATOM 0 H TYR A 76 -19.202 5.857 -14.015 1.00 0.00 H new ATOM 0 HA TYR A 76 -20.171 3.909 -11.939 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -21.694 5.376 -14.142 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -22.352 4.020 -13.249 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -21.873 4.273 -10.539 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -22.297 7.488 -13.356 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -22.525 5.802 -8.698 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -22.949 9.017 -11.516 1.00 0.00 H new ATOM 0 HH TYR A 76 -23.312 9.251 -9.324 1.00 0.00 H new ATOM 1334 N GLU A 77 -19.342 3.607 -15.084 1.00 0.00 N ATOM 1335 CA GLU A 77 -19.003 2.592 -16.120 1.00 0.00 C ATOM 1336 C GLU A 77 -17.590 2.852 -16.646 1.00 0.00 C ATOM 1337 O GLU A 77 -16.701 2.036 -16.495 1.00 0.00 O ATOM 1338 CB GLU A 77 -20.003 2.687 -17.275 1.00 0.00 C ATOM 1339 CG GLU A 77 -21.383 2.243 -16.790 1.00 0.00 C ATOM 1340 CD GLU A 77 -21.537 0.735 -16.995 1.00 0.00 C ATOM 1341 OE1 GLU A 77 -20.603 0.016 -16.681 1.00 0.00 O ATOM 1342 OE2 GLU A 77 -22.587 0.325 -17.463 1.00 0.00 O ATOM 0 H GLU A 77 -19.099 4.569 -15.322 1.00 0.00 H new ATOM 0 HA GLU A 77 -19.050 1.596 -15.681 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -20.048 3.710 -17.648 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -19.678 2.059 -18.105 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -21.507 2.492 -15.736 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -22.161 2.776 -17.337 1.00 0.00 H new ATOM 1349 N GLY A 78 -17.373 3.981 -17.262 1.00 0.00 N ATOM 1350 CA GLY A 78 -16.015 4.288 -17.795 1.00 0.00 C ATOM 1351 C GLY A 78 -15.880 5.792 -18.029 1.00 0.00 C ATOM 1352 O GLY A 78 -14.789 6.320 -18.118 1.00 0.00 O ATOM 0 H GLY A 78 -18.076 4.703 -17.419 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -15.253 3.950 -17.092 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -15.850 3.749 -18.728 1.00 0.00 H new ATOM 1356 N HIS A 79 -16.977 6.491 -18.129 1.00 0.00 N ATOM 1357 CA HIS A 79 -16.904 7.961 -18.357 1.00 0.00 C ATOM 1358 C HIS A 79 -17.328 8.694 -17.081 1.00 0.00 C ATOM 1359 O HIS A 79 -18.311 8.339 -16.460 1.00 0.00 O ATOM 1360 CB HIS A 79 -17.841 8.348 -19.503 1.00 0.00 C ATOM 1361 CG HIS A 79 -17.323 7.774 -20.793 1.00 0.00 C ATOM 1362 ND1 HIS A 79 -15.993 7.886 -21.171 1.00 0.00 N ATOM 1363 CD2 HIS A 79 -17.942 7.083 -21.805 1.00 0.00 C ATOM 1364 CE1 HIS A 79 -15.858 7.276 -22.363 1.00 0.00 C ATOM 1365 NE2 HIS A 79 -17.016 6.769 -22.795 1.00 0.00 N ATOM 0 H HIS A 79 -17.920 6.108 -18.063 1.00 0.00 H new ATOM 0 HA HIS A 79 -15.882 8.239 -18.615 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -18.846 7.976 -19.306 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -17.911 9.433 -19.578 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -18.990 6.822 -21.829 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -14.926 7.205 -22.905 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -17.185 6.261 -23.663 1.00 0.00 H new ATOM 1373 N PRO A 80 -16.568 9.697 -16.729 1.00 0.00 N ATOM 1374 CA PRO A 80 -16.909 10.457 -15.506 1.00 0.00 C ATOM 1375 C PRO A 80 -18.428 10.589 -15.378 1.00 0.00 C ATOM 1376 O PRO A 80 -19.041 11.088 -16.308 1.00 0.00 O ATOM 1377 CB PRO A 80 -16.266 11.837 -15.682 1.00 0.00 C ATOM 1378 CG PRO A 80 -15.540 11.844 -17.044 1.00 0.00 C ATOM 1379 CD PRO A 80 -15.743 10.466 -17.685 1.00 0.00 C ATOM 1380 OXT PRO A 80 -18.954 10.189 -14.353 1.00 0.00 O ATOM 0 HA PRO A 80 -16.549 9.960 -14.605 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -17.024 12.620 -15.648 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -15.564 12.038 -14.873 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -15.940 12.628 -17.687 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -14.478 12.052 -16.911 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -16.241 10.553 -18.650 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -14.788 9.972 -17.863 1.00 0.00 H new TER 1388 PRO A 80