USER MOD reduce.3.24.130724 H: found=0, std=0, add=1011, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1009 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 59 THR OG1 : rot -160:sc= 0.793 USER MOD Set 1.2: A 107 GLN : amide:sc= 0.262 X(o=1.9,f=1.5) USER MOD Set 1.3: A 109 LYS NZ :NH3+ -172:sc= 0.89 (180deg=0) USER MOD Set 2.1: A 17 SER OG : rot -126:sc= 1 USER MOD Set 2.2: A 98 MET CE :methyl -178:sc= -0.266 (180deg=-0.0522) USER MOD Set 3.1: A 9 TYR OH : rot 136:sc= 1.18 USER MOD Set 3.2: A 11 GLN : amide:sc= 1.89 K(o=4.1,f=-0.79) USER MOD Set 3.3: A 29 SER OG : rot -17:sc= 1.03 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 85:sc= 1.21 USER MOD Single : A 16 THR OG1 : rot 90:sc= 0.0444 USER MOD Single : A 20 ASN : amide:sc= -1.09 K(o=-1.1,f=-2.9!) USER MOD Single : A 26 ASN : amide:sc= -0.264 X(o=-0.26,f=-0.44) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0793 USER MOD Single : A 30 SER OG : rot 180:sc=-0.00464 USER MOD Single : A 31 GLN : amide:sc= -0.0782 X(o=-0.078,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 147:sc= 1.09 (180deg=0.436) USER MOD Single : A 36 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -0.0683 K(o=-0.068,f=-3.4!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 163:sc= -0.516 (180deg=-2.04) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 100:sc= 1.22 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot -167:sc= 0.0988 USER MOD Single : A 61 LYS NZ :NH3+ -155:sc= 0.994 (180deg=0.271) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -2.01 K(o=-2,f=0.085) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 152:sc= -0.213 (180deg=-1.19) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 39:sc= 0.496 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 ASN : amide:sc= -0.162 X(o=-0.16,f=-0.013) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot -2:sc= 1.22 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 ASN : amide:sc= -0.0561 K(o=-0.056,f=-1.4) USER MOD Single : A 105 SER OG : rot -120:sc= 0 USER MOD Single : A 112 SER OG : rot 113:sc= 0.34 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 81:sc= -0.0128 USER MOD Single : A 121 GLN : amide:sc= -0.87 K(o=-0.87,f=-1.8) USER MOD Single : A 122 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0251) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.013 16.623 -6.662 1.00 0.00 N ATOM 2 CA GLY A 1 -20.848 17.069 -5.274 1.00 0.00 C ATOM 3 C GLY A 1 -19.654 16.381 -4.643 1.00 0.00 C ATOM 4 O GLY A 1 -18.540 16.517 -5.155 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.834 17.101 -7.085 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.158 16.857 -7.206 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.164 15.594 -6.680 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.711 18.150 -5.245 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.749 16.846 -4.703 1.00 0.00 H new ATOM 8 N ALA A 2 -19.845 15.686 -3.519 1.00 0.00 N ATOM 9 CA ALA A 2 -18.913 14.700 -2.982 1.00 0.00 C ATOM 10 C ALA A 2 -19.710 13.786 -2.045 1.00 0.00 C ATOM 11 O ALA A 2 -19.483 13.771 -0.834 1.00 0.00 O ATOM 12 CB ALA A 2 -17.745 15.391 -2.256 1.00 0.00 C ATOM 0 H ALA A 2 -20.679 15.800 -2.942 1.00 0.00 H new ATOM 0 HA ALA A 2 -18.466 14.109 -3.782 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -17.063 14.637 -1.864 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -17.211 16.034 -2.956 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -18.132 15.992 -1.434 1.00 0.00 H new ATOM 18 N GLU A 3 -20.684 13.066 -2.601 1.00 0.00 N ATOM 19 CA GLU A 3 -21.654 12.241 -1.875 1.00 0.00 C ATOM 20 C GLU A 3 -21.055 10.891 -1.447 1.00 0.00 C ATOM 21 O GLU A 3 -21.638 9.829 -1.667 1.00 0.00 O ATOM 22 CB GLU A 3 -22.858 12.028 -2.792 1.00 0.00 C ATOM 23 CG GLU A 3 -24.068 11.386 -2.077 1.00 0.00 C ATOM 24 CD GLU A 3 -25.397 12.086 -2.366 1.00 0.00 C ATOM 25 OE1 GLU A 3 -25.689 12.400 -3.546 1.00 0.00 O ATOM 26 OE2 GLU A 3 -26.138 12.403 -1.403 1.00 0.00 O ATOM 0 H GLU A 3 -20.826 13.039 -3.611 1.00 0.00 H new ATOM 0 HA GLU A 3 -21.950 12.751 -0.958 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -23.160 12.988 -3.211 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -22.561 11.394 -3.628 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -24.145 10.342 -2.379 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -23.890 11.395 -1.002 1.00 0.00 H new ATOM 33 N ALA A 4 -19.859 10.911 -0.868 1.00 0.00 N ATOM 34 CA ALA A 4 -19.111 9.730 -0.476 1.00 0.00 C ATOM 35 C ALA A 4 -19.084 8.635 -1.553 1.00 0.00 C ATOM 36 O ALA A 4 -19.509 7.498 -1.322 1.00 0.00 O ATOM 37 CB ALA A 4 -19.618 9.227 0.884 1.00 0.00 C ATOM 0 H ALA A 4 -19.371 11.780 -0.653 1.00 0.00 H new ATOM 0 HA ALA A 4 -18.065 10.017 -0.368 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -19.055 8.340 1.177 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -19.483 10.007 1.634 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -20.676 8.977 0.808 1.00 0.00 H new ATOM 43 N LEU A 5 -18.578 8.980 -2.740 1.00 0.00 N ATOM 44 CA LEU A 5 -18.440 8.137 -3.892 1.00 0.00 C ATOM 45 C LEU A 5 -17.661 6.873 -3.553 1.00 0.00 C ATOM 46 O LEU A 5 -16.804 6.921 -2.669 1.00 0.00 O ATOM 47 CB LEU A 5 -17.641 8.937 -4.925 1.00 0.00 C ATOM 48 CG LEU A 5 -18.056 10.405 -5.076 1.00 0.00 C ATOM 49 CD1 LEU A 5 -19.542 10.528 -5.387 1.00 0.00 C ATOM 50 CD2 LEU A 5 -17.562 11.368 -3.998 1.00 0.00 C ATOM 0 H LEU A 5 -18.235 9.925 -2.915 1.00 0.00 H new ATOM 0 HA LEU A 5 -19.423 7.843 -4.261 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -16.586 8.900 -4.653 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -17.737 8.447 -5.894 1.00 0.00 H new ATOM 0 HG LEU A 5 -17.503 10.762 -5.945 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -19.807 11.581 -5.488 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -19.763 10.007 -6.318 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -20.121 10.085 -4.577 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -17.921 12.374 -4.216 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -17.940 11.051 -3.026 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -16.472 11.368 -3.981 1.00 0.00 H new ATOM 62 N PRO A 6 -17.876 5.783 -4.295 1.00 0.00 N ATOM 63 CA PRO A 6 -17.079 4.578 -4.180 1.00 0.00 C ATOM 64 C PRO A 6 -15.638 4.833 -4.637 1.00 0.00 C ATOM 65 O PRO A 6 -15.321 5.866 -5.228 1.00 0.00 O ATOM 66 CB PRO A 6 -17.786 3.553 -5.062 1.00 0.00 C ATOM 67 CG PRO A 6 -18.438 4.408 -6.145 1.00 0.00 C ATOM 68 CD PRO A 6 -18.780 5.715 -5.427 1.00 0.00 C ATOM 0 HA PRO A 6 -17.000 4.227 -3.151 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -17.084 2.835 -5.485 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -18.526 2.982 -4.501 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -17.760 4.578 -6.982 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -19.330 3.929 -6.549 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -18.647 6.572 -6.087 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -19.820 5.723 -5.100 1.00 0.00 H new ATOM 76 N LEU A 7 -14.760 3.878 -4.347 1.00 0.00 N ATOM 77 CA LEU A 7 -13.325 3.943 -4.591 1.00 0.00 C ATOM 78 C LEU A 7 -12.984 4.172 -6.072 1.00 0.00 C ATOM 79 O LEU A 7 -13.035 3.240 -6.876 1.00 0.00 O ATOM 80 CB LEU A 7 -12.687 2.664 -4.043 1.00 0.00 C ATOM 81 CG LEU A 7 -11.235 2.855 -3.595 1.00 0.00 C ATOM 82 CD1 LEU A 7 -10.692 1.485 -3.208 1.00 0.00 C ATOM 83 CD2 LEU A 7 -10.303 3.456 -4.633 1.00 0.00 C ATOM 0 H LEU A 7 -15.043 2.998 -3.916 1.00 0.00 H new ATOM 0 HA LEU A 7 -12.915 4.809 -4.072 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -13.276 2.305 -3.199 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -12.725 1.890 -4.810 1.00 0.00 H new ATOM 0 HG LEU A 7 -11.260 3.570 -2.773 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.656 1.583 -2.883 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -11.290 1.073 -2.395 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -10.740 0.818 -4.069 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -9.301 3.548 -4.213 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -10.271 2.810 -5.510 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -10.667 4.442 -4.921 1.00 0.00 H new ATOM 95 N TYR A 8 -12.583 5.391 -6.427 1.00 0.00 N ATOM 96 CA TYR A 8 -12.261 5.785 -7.791 1.00 0.00 C ATOM 97 C TYR A 8 -10.756 5.810 -8.100 1.00 0.00 C ATOM 98 O TYR A 8 -10.421 5.895 -9.284 1.00 0.00 O ATOM 99 CB TYR A 8 -12.971 7.100 -8.155 1.00 0.00 C ATOM 100 CG TYR A 8 -12.831 8.261 -7.182 1.00 0.00 C ATOM 101 CD1 TYR A 8 -11.689 9.084 -7.206 1.00 0.00 C ATOM 102 CD2 TYR A 8 -13.888 8.569 -6.304 1.00 0.00 C ATOM 103 CE1 TYR A 8 -11.601 10.199 -6.350 1.00 0.00 C ATOM 104 CE2 TYR A 8 -13.815 9.686 -5.454 1.00 0.00 C ATOM 105 CZ TYR A 8 -12.664 10.502 -5.469 1.00 0.00 C ATOM 106 OH TYR A 8 -12.607 11.600 -4.666 1.00 0.00 O ATOM 0 H TYR A 8 -12.471 6.149 -5.754 1.00 0.00 H new ATOM 0 HA TYR A 8 -12.648 5.001 -8.442 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -12.599 7.427 -9.126 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -14.033 6.888 -8.276 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -10.878 8.860 -7.883 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -14.765 7.939 -6.284 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -10.720 10.823 -6.367 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -14.636 9.919 -4.792 1.00 0.00 H new ATOM 0 HH TYR A 8 -13.424 11.654 -4.127 1.00 0.00 H new ATOM 116 N TYR A 9 -9.853 5.711 -7.113 1.00 0.00 N ATOM 117 CA TYR A 9 -8.402 5.732 -7.352 1.00 0.00 C ATOM 118 C TYR A 9 -7.663 4.975 -6.267 1.00 0.00 C ATOM 119 O TYR A 9 -7.855 5.240 -5.076 1.00 0.00 O ATOM 120 CB TYR A 9 -7.900 7.173 -7.364 1.00 0.00 C ATOM 121 CG TYR A 9 -6.393 7.414 -7.447 1.00 0.00 C ATOM 122 CD1 TYR A 9 -5.598 7.370 -6.281 1.00 0.00 C ATOM 123 CD2 TYR A 9 -5.788 7.740 -8.677 1.00 0.00 C ATOM 124 CE1 TYR A 9 -4.228 7.674 -6.334 1.00 0.00 C ATOM 125 CE2 TYR A 9 -4.407 8.006 -8.746 1.00 0.00 C ATOM 126 CZ TYR A 9 -3.623 7.989 -7.569 1.00 0.00 C ATOM 127 OH TYR A 9 -2.283 8.232 -7.624 1.00 0.00 O ATOM 0 H TYR A 9 -10.107 5.614 -6.130 1.00 0.00 H new ATOM 0 HA TYR A 9 -8.214 5.256 -8.314 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -8.365 7.680 -8.209 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -8.265 7.660 -6.460 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -6.049 7.099 -5.338 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.388 7.786 -9.574 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.638 7.667 -5.430 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -3.946 8.223 -9.698 1.00 0.00 H new ATOM 0 HH TYR A 9 -1.898 7.771 -8.398 1.00 0.00 H new ATOM 137 N LEU A 10 -6.753 4.102 -6.692 1.00 0.00 N ATOM 138 CA LEU A 10 -5.957 3.241 -5.850 1.00 0.00 C ATOM 139 C LEU A 10 -4.529 3.318 -6.354 1.00 0.00 C ATOM 140 O LEU A 10 -4.265 3.113 -7.542 1.00 0.00 O ATOM 141 CB LEU A 10 -6.499 1.832 -6.022 1.00 0.00 C ATOM 142 CG LEU A 10 -6.131 0.768 -4.992 1.00 0.00 C ATOM 143 CD1 LEU A 10 -4.722 0.869 -4.396 1.00 0.00 C ATOM 144 CD2 LEU A 10 -7.055 0.862 -3.778 1.00 0.00 C ATOM 0 H LEU A 10 -6.548 3.977 -7.683 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.991 3.527 -4.799 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.587 1.899 -6.052 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.175 1.471 -6.998 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.213 -0.157 -5.562 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.572 0.063 -3.678 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.983 0.787 -5.193 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.608 1.829 -3.893 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.781 0.097 -3.052 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.957 1.847 -3.322 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.087 0.709 -4.094 1.00 0.00 H new ATOM 156 N GLN A 11 -3.584 3.601 -5.470 1.00 0.00 N ATOM 157 CA GLN A 11 -2.185 3.703 -5.867 1.00 0.00 C ATOM 158 C GLN A 11 -1.289 3.534 -4.653 1.00 0.00 C ATOM 159 O GLN A 11 -1.567 4.149 -3.628 1.00 0.00 O ATOM 160 CB GLN A 11 -1.974 5.079 -6.526 1.00 0.00 C ATOM 161 CG GLN A 11 -0.980 5.055 -7.692 1.00 0.00 C ATOM 162 CD GLN A 11 -1.632 5.367 -9.044 1.00 0.00 C ATOM 163 OE1 GLN A 11 -1.506 6.482 -9.545 1.00 0.00 O ATOM 164 NE2 GLN A 11 -2.386 4.454 -9.634 1.00 0.00 N ATOM 0 H GLN A 11 -3.757 3.764 -4.478 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.928 2.917 -6.578 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.933 5.451 -6.885 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.621 5.783 -5.773 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.188 5.779 -7.501 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.509 4.073 -7.740 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.489 3.529 -9.216 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.865 4.675 -10.507 1.00 0.00 H new ATOM 173 N ILE A 12 -0.220 2.737 -4.756 1.00 0.00 N ATOM 174 CA ILE A 12 0.667 2.441 -3.619 1.00 0.00 C ATOM 175 C ILE A 12 1.175 3.695 -2.891 1.00 0.00 C ATOM 176 O ILE A 12 1.169 3.691 -1.668 1.00 0.00 O ATOM 177 CB ILE A 12 1.820 1.507 -4.024 1.00 0.00 C ATOM 178 CG1 ILE A 12 1.349 0.212 -4.723 1.00 0.00 C ATOM 179 CG2 ILE A 12 2.666 1.095 -2.800 1.00 0.00 C ATOM 180 CD1 ILE A 12 0.315 -0.630 -3.956 1.00 0.00 C ATOM 0 H ILE A 12 0.056 2.279 -5.625 1.00 0.00 H new ATOM 0 HA ILE A 12 0.050 1.911 -2.893 1.00 0.00 H new ATOM 0 HB ILE A 12 2.412 2.089 -4.730 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.925 0.479 -5.691 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.222 -0.410 -4.918 1.00 0.00 H new ATOM 0 HG21 ILE A 12 3.472 0.435 -3.120 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.089 1.985 -2.334 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.035 0.574 -2.080 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.059 -1.513 -4.541 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.735 -0.939 -2.999 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.582 -0.036 -3.784 1.00 0.00 H new ATOM 192 N THR A 13 1.531 4.772 -3.594 1.00 0.00 N ATOM 193 CA THR A 13 1.784 6.109 -3.043 1.00 0.00 C ATOM 194 C THR A 13 3.015 6.220 -2.117 1.00 0.00 C ATOM 195 O THR A 13 3.871 7.060 -2.396 1.00 0.00 O ATOM 196 CB THR A 13 0.477 6.688 -2.460 1.00 0.00 C ATOM 197 OG1 THR A 13 -0.546 6.596 -3.440 1.00 0.00 O ATOM 198 CG2 THR A 13 0.592 8.169 -2.115 1.00 0.00 C ATOM 0 H THR A 13 1.657 4.737 -4.606 1.00 0.00 H new ATOM 0 HA THR A 13 2.089 6.748 -3.872 1.00 0.00 H new ATOM 0 HB THR A 13 0.261 6.118 -1.557 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.953 5.705 -3.406 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.356 8.523 -1.709 1.00 0.00 H new ATOM 0 HG22 THR A 13 1.379 8.310 -1.374 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.835 8.734 -3.015 1.00 0.00 H new ATOM 206 N GLY A 14 3.170 5.404 -1.074 1.00 0.00 N ATOM 207 CA GLY A 14 4.369 5.304 -0.253 1.00 0.00 C ATOM 208 C GLY A 14 4.516 3.878 0.273 1.00 0.00 C ATOM 209 O GLY A 14 3.527 3.146 0.405 1.00 0.00 O ATOM 0 H GLY A 14 2.431 4.770 -0.769 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.246 5.578 -0.839 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.310 6.005 0.580 1.00 0.00 H new ATOM 213 N ILE A 15 5.752 3.488 0.565 1.00 0.00 N ATOM 214 CA ILE A 15 6.155 2.143 0.984 1.00 0.00 C ATOM 215 C ILE A 15 7.320 2.283 1.960 1.00 0.00 C ATOM 216 O ILE A 15 8.129 3.194 1.802 1.00 0.00 O ATOM 217 CB ILE A 15 6.567 1.315 -0.263 1.00 0.00 C ATOM 218 CG1 ILE A 15 6.817 -0.171 0.080 1.00 0.00 C ATOM 219 CG2 ILE A 15 7.790 1.923 -0.988 1.00 0.00 C ATOM 220 CD1 ILE A 15 7.177 -1.017 -1.151 1.00 0.00 C ATOM 0 H ILE A 15 6.542 4.131 0.515 1.00 0.00 H new ATOM 0 HA ILE A 15 5.332 1.623 1.475 1.00 0.00 H new ATOM 0 HB ILE A 15 5.720 1.358 -0.948 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.624 -0.239 0.810 1.00 0.00 H new ATOM 0 HG13 ILE A 15 5.925 -0.585 0.551 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.042 1.310 -1.854 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.552 2.935 -1.317 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.639 1.953 -0.306 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.341 -2.051 -0.847 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.361 -0.976 -1.872 1.00 0.00 H new ATOM 0 HD13 ILE A 15 8.085 -0.625 -1.609 1.00 0.00 H new ATOM 232 N THR A 16 7.466 1.356 2.903 1.00 0.00 N ATOM 233 CA THR A 16 8.743 1.166 3.569 1.00 0.00 C ATOM 234 C THR A 16 8.869 -0.264 4.096 1.00 0.00 C ATOM 235 O THR A 16 7.996 -1.108 3.850 1.00 0.00 O ATOM 236 CB THR A 16 8.957 2.272 4.624 1.00 0.00 C ATOM 237 OG1 THR A 16 10.305 2.294 5.035 1.00 0.00 O ATOM 238 CG2 THR A 16 8.031 2.162 5.842 1.00 0.00 C ATOM 0 H THR A 16 6.722 0.733 3.218 1.00 0.00 H new ATOM 0 HA THR A 16 9.563 1.275 2.859 1.00 0.00 H new ATOM 0 HB THR A 16 8.697 3.211 4.135 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.813 2.901 4.457 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.244 2.975 6.536 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.993 2.226 5.517 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.197 1.207 6.340 1.00 0.00 H new ATOM 246 N SER A 17 9.964 -0.519 4.814 1.00 0.00 N ATOM 247 CA SER A 17 10.214 -1.734 5.537 1.00 0.00 C ATOM 248 C SER A 17 10.753 -1.357 6.923 1.00 0.00 C ATOM 249 O SER A 17 11.192 -0.222 7.148 1.00 0.00 O ATOM 250 CB SER A 17 11.179 -2.603 4.722 1.00 0.00 C ATOM 251 OG SER A 17 11.331 -3.857 5.346 1.00 0.00 O ATOM 0 H SER A 17 10.725 0.155 4.901 1.00 0.00 H new ATOM 0 HA SER A 17 9.309 -2.323 5.685 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.799 -2.734 3.709 1.00 0.00 H new ATOM 0 HB3 SER A 17 12.147 -2.108 4.638 1.00 0.00 H new ATOM 0 HG SER A 17 12.283 -4.035 5.494 1.00 0.00 H new ATOM 257 N ASP A 18 10.720 -2.321 7.840 1.00 0.00 N ATOM 258 CA ASP A 18 11.256 -2.175 9.194 1.00 0.00 C ATOM 259 C ASP A 18 12.750 -1.861 9.154 1.00 0.00 C ATOM 260 O ASP A 18 13.180 -0.839 9.689 1.00 0.00 O ATOM 261 CB ASP A 18 10.990 -3.437 10.010 1.00 0.00 C ATOM 262 CG ASP A 18 11.625 -3.380 11.398 1.00 0.00 C ATOM 263 OD1 ASP A 18 12.812 -3.728 11.537 1.00 0.00 O ATOM 264 OD2 ASP A 18 10.879 -3.102 12.360 1.00 0.00 O ATOM 0 H ASP A 18 10.314 -3.240 7.662 1.00 0.00 H new ATOM 0 HA ASP A 18 10.749 -1.340 9.677 1.00 0.00 H new ATOM 0 HB2 ASP A 18 9.914 -3.580 10.112 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.377 -4.302 9.472 1.00 0.00 H new ATOM 269 N GLY A 19 13.533 -2.666 8.432 1.00 0.00 N ATOM 270 CA GLY A 19 14.979 -2.504 8.342 1.00 0.00 C ATOM 271 C GLY A 19 15.418 -1.308 7.492 1.00 0.00 C ATOM 272 O GLY A 19 16.560 -1.297 7.040 1.00 0.00 O ATOM 0 H GLY A 19 13.175 -3.453 7.891 1.00 0.00 H new ATOM 0 HA2 GLY A 19 15.385 -2.391 9.347 1.00 0.00 H new ATOM 0 HA3 GLY A 19 15.411 -3.413 7.923 1.00 0.00 H new ATOM 276 N ASN A 20 14.525 -0.345 7.226 1.00 0.00 N ATOM 277 CA ASN A 20 14.715 0.749 6.272 1.00 0.00 C ATOM 278 C ASN A 20 14.660 2.128 6.910 1.00 0.00 C ATOM 279 O ASN A 20 14.610 3.129 6.195 1.00 0.00 O ATOM 280 CB ASN A 20 13.663 0.658 5.150 1.00 0.00 C ATOM 281 CG ASN A 20 14.347 0.341 3.841 1.00 0.00 C ATOM 282 OD1 ASN A 20 15.275 -0.466 3.791 1.00 0.00 O ATOM 283 ND2 ASN A 20 13.915 0.962 2.771 1.00 0.00 N ATOM 0 H ASN A 20 13.617 -0.308 7.689 1.00 0.00 H new ATOM 0 HA ASN A 20 15.720 0.630 5.866 1.00 0.00 H new ATOM 0 HB2 ASN A 20 12.930 -0.114 5.386 1.00 0.00 H new ATOM 0 HB3 ASN A 20 13.119 1.599 5.070 1.00 0.00 H new ATOM 0 HD21 ASN A 20 14.350 0.782 1.866 1.00 0.00 H new ATOM 0 HD22 ASN A 20 13.144 1.626 2.843 1.00 0.00 H new ATOM 290 N ASP A 21 14.624 2.196 8.238 1.00 0.00 N ATOM 291 CA ASP A 21 14.422 3.414 9.013 1.00 0.00 C ATOM 292 C ASP A 21 12.992 3.948 8.814 1.00 0.00 C ATOM 293 O ASP A 21 12.723 5.138 8.999 1.00 0.00 O ATOM 294 CB ASP A 21 15.507 4.481 8.758 1.00 0.00 C ATOM 295 CG ASP A 21 16.958 4.096 9.087 1.00 0.00 C ATOM 296 OD1 ASP A 21 17.220 3.000 9.609 1.00 0.00 O ATOM 297 OD2 ASP A 21 17.850 4.962 8.876 1.00 0.00 O ATOM 0 H ASP A 21 14.739 1.370 8.826 1.00 0.00 H new ATOM 0 HA ASP A 21 14.533 3.155 10.066 1.00 0.00 H new ATOM 0 HB2 ASP A 21 15.462 4.764 7.706 1.00 0.00 H new ATOM 0 HB3 ASP A 21 15.252 5.368 9.338 1.00 0.00 H new ATOM 302 N PHE A 22 12.061 3.057 8.439 1.00 0.00 N ATOM 303 CA PHE A 22 10.645 3.326 8.195 1.00 0.00 C ATOM 304 C PHE A 22 10.445 4.503 7.224 1.00 0.00 C ATOM 305 O PHE A 22 9.469 5.249 7.347 1.00 0.00 O ATOM 306 CB PHE A 22 9.889 3.469 9.533 1.00 0.00 C ATOM 307 CG PHE A 22 9.745 2.184 10.331 1.00 0.00 C ATOM 308 CD1 PHE A 22 10.856 1.600 10.972 1.00 0.00 C ATOM 309 CD2 PHE A 22 8.482 1.564 10.434 1.00 0.00 C ATOM 310 CE1 PHE A 22 10.708 0.406 11.698 1.00 0.00 C ATOM 311 CE2 PHE A 22 8.331 0.383 11.181 1.00 0.00 C ATOM 312 CZ PHE A 22 9.443 -0.191 11.817 1.00 0.00 C ATOM 0 H PHE A 22 12.295 2.075 8.291 1.00 0.00 H new ATOM 0 HA PHE A 22 10.202 2.471 7.684 1.00 0.00 H new ATOM 0 HB2 PHE A 22 10.407 4.205 10.148 1.00 0.00 H new ATOM 0 HB3 PHE A 22 8.894 3.866 9.330 1.00 0.00 H new ATOM 0 HD1 PHE A 22 11.825 2.072 10.905 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.627 1.999 9.937 1.00 0.00 H new ATOM 0 HE1 PHE A 22 11.567 -0.052 12.164 1.00 0.00 H new ATOM 0 HE2 PHE A 22 7.360 -0.083 11.266 1.00 0.00 H new ATOM 0 HZ PHE A 22 9.325 -1.093 12.399 1.00 0.00 H new ATOM 322 N ALA A 23 11.385 4.678 6.288 1.00 0.00 N ATOM 323 CA ALA A 23 11.425 5.709 5.267 1.00 0.00 C ATOM 324 C ALA A 23 10.294 5.542 4.238 1.00 0.00 C ATOM 325 O ALA A 23 10.487 4.858 3.235 1.00 0.00 O ATOM 326 CB ALA A 23 12.810 5.699 4.612 1.00 0.00 C ATOM 0 H ALA A 23 12.190 4.055 6.228 1.00 0.00 H new ATOM 0 HA ALA A 23 11.259 6.682 5.730 1.00 0.00 H new ATOM 0 HB1 ALA A 23 12.854 6.469 3.842 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.571 5.896 5.367 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.992 4.724 4.160 1.00 0.00 H new ATOM 332 N TRP A 24 9.131 6.152 4.470 1.00 0.00 N ATOM 333 CA TRP A 24 7.882 5.948 3.722 1.00 0.00 C ATOM 334 C TRP A 24 7.913 6.287 2.231 1.00 0.00 C ATOM 335 O TRP A 24 6.999 5.871 1.512 1.00 0.00 O ATOM 336 CB TRP A 24 6.765 6.728 4.425 1.00 0.00 C ATOM 337 CG TRP A 24 6.110 5.946 5.516 1.00 0.00 C ATOM 338 CD1 TRP A 24 6.260 6.126 6.843 1.00 0.00 C ATOM 339 CD2 TRP A 24 5.245 4.794 5.361 1.00 0.00 C ATOM 340 NE1 TRP A 24 5.519 5.174 7.524 1.00 0.00 N ATOM 341 CE2 TRP A 24 4.834 4.349 6.651 1.00 0.00 C ATOM 342 CE3 TRP A 24 4.785 4.080 4.240 1.00 0.00 C ATOM 343 CZ2 TRP A 24 3.925 3.290 6.810 1.00 0.00 C ATOM 344 CZ3 TRP A 24 3.906 2.998 4.389 1.00 0.00 C ATOM 345 CH2 TRP A 24 3.444 2.626 5.665 1.00 0.00 C ATOM 0 H TRP A 24 9.025 6.835 5.220 1.00 0.00 H new ATOM 0 HA TRP A 24 7.707 4.872 3.731 1.00 0.00 H new ATOM 0 HB2 TRP A 24 7.177 7.648 4.840 1.00 0.00 H new ATOM 0 HB3 TRP A 24 6.013 7.018 3.691 1.00 0.00 H new ATOM 0 HD1 TRP A 24 6.864 6.893 7.304 1.00 0.00 H new ATOM 0 HE1 TRP A 24 5.483 5.092 8.540 1.00 0.00 H new ATOM 0 HE3 TRP A 24 5.113 4.369 3.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 3.600 2.990 7.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 3.581 2.447 3.519 1.00 0.00 H new ATOM 0 HH2 TRP A 24 2.720 1.831 5.766 1.00 0.00 H new ATOM 356 N ASP A 25 8.941 7.000 1.771 1.00 0.00 N ATOM 357 CA ASP A 25 9.190 7.358 0.373 1.00 0.00 C ATOM 358 C ASP A 25 7.964 7.945 -0.334 1.00 0.00 C ATOM 359 O ASP A 25 6.969 8.330 0.282 1.00 0.00 O ATOM 360 CB ASP A 25 9.841 6.172 -0.378 1.00 0.00 C ATOM 361 CG ASP A 25 11.348 6.071 -0.158 1.00 0.00 C ATOM 362 OD1 ASP A 25 11.980 6.928 0.507 1.00 0.00 O ATOM 363 OD2 ASP A 25 11.957 5.143 -0.736 1.00 0.00 O ATOM 0 H ASP A 25 9.661 7.363 2.396 1.00 0.00 H new ATOM 0 HA ASP A 25 9.908 8.178 0.363 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.371 5.244 -0.054 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.643 6.274 -1.445 1.00 0.00 H new ATOM 368 N ASN A 26 8.063 8.129 -1.646 1.00 0.00 N ATOM 369 CA ASN A 26 7.004 8.623 -2.492 1.00 0.00 C ATOM 370 C ASN A 26 7.102 7.930 -3.838 1.00 0.00 C ATOM 371 O ASN A 26 8.089 8.071 -4.555 1.00 0.00 O ATOM 372 CB ASN A 26 7.116 10.140 -2.636 1.00 0.00 C ATOM 373 CG ASN A 26 8.450 10.614 -3.201 1.00 0.00 C ATOM 374 OD1 ASN A 26 9.469 10.593 -2.509 1.00 0.00 O ATOM 375 ND2 ASN A 26 8.478 11.064 -4.445 1.00 0.00 N ATOM 0 H ASN A 26 8.920 7.928 -2.161 1.00 0.00 H new ATOM 0 HA ASN A 26 6.031 8.407 -2.051 1.00 0.00 H new ATOM 0 HB2 ASN A 26 6.313 10.493 -3.283 1.00 0.00 H new ATOM 0 HB3 ASN A 26 6.963 10.599 -1.659 1.00 0.00 H new ATOM 0 HD21 ASN A 26 9.353 11.401 -4.846 1.00 0.00 H new ATOM 0 HD22 ASN A 26 7.624 11.074 -5.003 1.00 0.00 H new ATOM 382 N LEU A 27 6.092 7.129 -4.160 1.00 0.00 N ATOM 383 CA LEU A 27 6.066 6.320 -5.368 1.00 0.00 C ATOM 384 C LEU A 27 5.252 7.029 -6.422 1.00 0.00 C ATOM 385 O LEU A 27 4.123 7.466 -6.159 1.00 0.00 O ATOM 386 CB LEU A 27 5.459 4.945 -5.103 1.00 0.00 C ATOM 387 CG LEU A 27 6.110 4.244 -3.912 1.00 0.00 C ATOM 388 CD1 LEU A 27 5.460 2.871 -3.771 1.00 0.00 C ATOM 389 CD2 LEU A 27 7.637 4.179 -3.988 1.00 0.00 C ATOM 0 H LEU A 27 5.259 7.024 -3.581 1.00 0.00 H new ATOM 0 HA LEU A 27 7.092 6.180 -5.709 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.390 5.052 -4.919 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.569 4.324 -5.992 1.00 0.00 H new ATOM 0 HG LEU A 27 5.932 4.834 -3.013 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.904 2.343 -2.927 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.390 2.991 -3.602 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.621 2.297 -4.683 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.024 3.667 -3.107 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.934 3.634 -4.884 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.043 5.190 -4.027 1.00 0.00 H new ATOM 401 N THR A 28 5.805 7.129 -7.616 1.00 0.00 N ATOM 402 CA THR A 28 5.208 7.916 -8.672 1.00 0.00 C ATOM 403 C THR A 28 3.910 7.285 -9.188 1.00 0.00 C ATOM 404 O THR A 28 3.699 6.074 -9.080 1.00 0.00 O ATOM 405 CB THR A 28 6.248 8.180 -9.780 1.00 0.00 C ATOM 406 OG1 THR A 28 7.559 7.773 -9.422 1.00 0.00 O ATOM 407 CG2 THR A 28 6.302 9.688 -9.960 1.00 0.00 C ATOM 0 H THR A 28 6.677 6.668 -7.878 1.00 0.00 H new ATOM 0 HA THR A 28 4.911 8.885 -8.271 1.00 0.00 H new ATOM 0 HB THR A 28 5.950 7.623 -10.668 1.00 0.00 H new ATOM 0 HG1 THR A 28 8.174 7.963 -10.161 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.026 9.936 -10.736 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.318 10.055 -10.251 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.601 10.156 -9.022 1.00 0.00 H new ATOM 415 N SER A 29 3.044 8.114 -9.776 1.00 0.00 N ATOM 416 CA SER A 29 1.659 7.795 -10.123 1.00 0.00 C ATOM 417 C SER A 29 1.510 6.800 -11.286 1.00 0.00 C ATOM 418 O SER A 29 0.418 6.654 -11.830 1.00 0.00 O ATOM 419 CB SER A 29 0.922 9.109 -10.430 1.00 0.00 C ATOM 420 OG SER A 29 -0.424 9.021 -10.009 1.00 0.00 O ATOM 0 H SER A 29 3.301 9.067 -10.034 1.00 0.00 H new ATOM 0 HA SER A 29 1.217 7.287 -9.266 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.416 9.939 -9.924 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.964 9.317 -11.499 1.00 0.00 H new ATOM 0 HG SER A 29 -0.663 8.081 -9.872 1.00 0.00 H new ATOM 426 N SER A 30 2.585 6.154 -11.729 1.00 0.00 N ATOM 427 CA SER A 30 2.549 5.128 -12.767 1.00 0.00 C ATOM 428 C SER A 30 3.603 4.047 -12.509 1.00 0.00 C ATOM 429 O SER A 30 3.842 3.221 -13.389 1.00 0.00 O ATOM 430 CB SER A 30 2.782 5.766 -14.148 1.00 0.00 C ATOM 431 OG SER A 30 2.326 7.110 -14.228 1.00 0.00 O ATOM 0 H SER A 30 3.523 6.332 -11.370 1.00 0.00 H new ATOM 0 HA SER A 30 1.565 4.659 -12.747 1.00 0.00 H new ATOM 0 HB2 SER A 30 3.847 5.736 -14.380 1.00 0.00 H new ATOM 0 HB3 SER A 30 2.274 5.171 -14.906 1.00 0.00 H new ATOM 0 HG SER A 30 2.502 7.462 -15.126 1.00 0.00 H new ATOM 437 N GLN A 31 4.294 4.107 -11.362 1.00 0.00 N ATOM 438 CA GLN A 31 5.510 3.353 -11.112 1.00 0.00 C ATOM 439 C GLN A 31 5.250 1.850 -11.216 1.00 0.00 C ATOM 440 O GLN A 31 4.123 1.388 -11.025 1.00 0.00 O ATOM 441 CB GLN A 31 6.085 3.777 -9.746 1.00 0.00 C ATOM 442 CG GLN A 31 7.542 3.338 -9.600 1.00 0.00 C ATOM 443 CD GLN A 31 8.465 4.319 -8.880 1.00 0.00 C ATOM 444 OE1 GLN A 31 9.493 4.719 -9.423 1.00 0.00 O ATOM 445 NE2 GLN A 31 8.155 4.687 -7.656 1.00 0.00 N ATOM 0 H GLN A 31 4.012 4.692 -10.576 1.00 0.00 H new ATOM 0 HA GLN A 31 6.258 3.576 -11.873 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.016 4.860 -9.640 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.488 3.339 -8.946 1.00 0.00 H new ATOM 0 HG2 GLN A 31 7.563 2.389 -9.064 1.00 0.00 H new ATOM 0 HG3 GLN A 31 7.947 3.152 -10.595 1.00 0.00 H new ATOM 0 HE21 GLN A 31 7.298 4.345 -7.222 1.00 0.00 H new ATOM 0 HE22 GLN A 31 8.772 5.315 -7.141 1.00 0.00 H new ATOM 454 N THR A 32 6.318 1.099 -11.482 1.00 0.00 N ATOM 455 CA THR A 32 6.307 -0.350 -11.644 1.00 0.00 C ATOM 456 C THR A 32 7.424 -1.039 -10.851 1.00 0.00 C ATOM 457 O THR A 32 7.464 -2.273 -10.770 1.00 0.00 O ATOM 458 CB THR A 32 6.316 -0.701 -13.145 1.00 0.00 C ATOM 459 OG1 THR A 32 7.193 0.129 -13.898 1.00 0.00 O ATOM 460 CG2 THR A 32 4.911 -0.490 -13.699 1.00 0.00 C ATOM 0 H THR A 32 7.249 1.501 -11.594 1.00 0.00 H new ATOM 0 HA THR A 32 5.386 -0.743 -11.215 1.00 0.00 H new ATOM 0 HB THR A 32 6.654 -1.733 -13.233 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.164 -0.135 -14.841 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.898 -0.734 -14.761 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.210 -1.136 -13.170 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.618 0.551 -13.562 1.00 0.00 H new ATOM 468 N LYS A 33 8.313 -0.270 -10.209 1.00 0.00 N ATOM 469 CA LYS A 33 9.352 -0.842 -9.350 1.00 0.00 C ATOM 470 C LYS A 33 9.648 0.028 -8.142 1.00 0.00 C ATOM 471 O LYS A 33 9.378 1.231 -8.149 1.00 0.00 O ATOM 472 CB LYS A 33 10.622 -1.141 -10.182 1.00 0.00 C ATOM 473 CG LYS A 33 11.291 -2.445 -9.720 1.00 0.00 C ATOM 474 CD LYS A 33 12.483 -2.278 -8.757 1.00 0.00 C ATOM 475 CE LYS A 33 13.835 -2.203 -9.482 1.00 0.00 C ATOM 476 NZ LYS A 33 14.500 -3.523 -9.578 1.00 0.00 N ATOM 0 H LYS A 33 8.332 0.748 -10.270 1.00 0.00 H new ATOM 0 HA LYS A 33 8.978 -1.784 -8.949 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.360 -1.217 -11.237 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.326 -0.314 -10.087 1.00 0.00 H new ATOM 0 HG2 LYS A 33 10.538 -3.066 -9.234 1.00 0.00 H new ATOM 0 HG3 LYS A 33 11.632 -2.989 -10.601 1.00 0.00 H new ATOM 0 HD2 LYS A 33 12.342 -1.372 -8.168 1.00 0.00 H new ATOM 0 HD3 LYS A 33 12.498 -3.114 -8.058 1.00 0.00 H new ATOM 0 HE2 LYS A 33 13.685 -1.802 -10.484 1.00 0.00 H new ATOM 0 HE3 LYS A 33 14.488 -1.508 -8.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 15.041 -3.575 -10.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 15.144 -3.647 -8.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 13.782 -4.275 -9.566 1.00 0.00 H new ATOM 490 N ALA A 34 10.105 -0.590 -7.058 1.00 0.00 N ATOM 491 CA ALA A 34 10.478 0.116 -5.843 1.00 0.00 C ATOM 492 C ALA A 34 11.602 1.120 -6.145 1.00 0.00 C ATOM 493 O ALA A 34 12.372 0.913 -7.086 1.00 0.00 O ATOM 494 CB ALA A 34 10.909 -0.905 -4.782 1.00 0.00 C ATOM 0 H ALA A 34 10.227 -1.601 -7.000 1.00 0.00 H new ATOM 0 HA ALA A 34 9.626 0.677 -5.459 1.00 0.00 H new ATOM 0 HB1 ALA A 34 11.190 -0.383 -3.868 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.082 -1.583 -4.573 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.761 -1.475 -5.151 1.00 0.00 H new ATOM 500 N PRO A 35 11.725 2.194 -5.353 1.00 0.00 N ATOM 501 CA PRO A 35 12.781 3.173 -5.542 1.00 0.00 C ATOM 502 C PRO A 35 14.153 2.650 -5.109 1.00 0.00 C ATOM 503 O PRO A 35 15.148 3.040 -5.711 1.00 0.00 O ATOM 504 CB PRO A 35 12.369 4.386 -4.711 1.00 0.00 C ATOM 505 CG PRO A 35 11.517 3.774 -3.596 1.00 0.00 C ATOM 506 CD PRO A 35 10.803 2.633 -4.317 1.00 0.00 C ATOM 0 HA PRO A 35 12.892 3.417 -6.598 1.00 0.00 H new ATOM 0 HB2 PRO A 35 13.235 4.914 -4.312 1.00 0.00 H new ATOM 0 HB3 PRO A 35 11.802 5.105 -5.302 1.00 0.00 H new ATOM 0 HG2 PRO A 35 12.129 3.412 -2.769 1.00 0.00 H new ATOM 0 HG3 PRO A 35 10.813 4.495 -3.180 1.00 0.00 H new ATOM 0 HD2 PRO A 35 10.568 1.820 -3.630 1.00 0.00 H new ATOM 0 HD3 PRO A 35 9.860 2.969 -4.747 1.00 0.00 H new ATOM 514 N ASN A 36 14.220 1.816 -4.064 1.00 0.00 N ATOM 515 CA ASN A 36 15.448 1.343 -3.442 1.00 0.00 C ATOM 516 C ASN A 36 15.058 0.060 -2.707 1.00 0.00 C ATOM 517 O ASN A 36 13.909 -0.072 -2.271 1.00 0.00 O ATOM 518 CB ASN A 36 15.948 2.365 -2.402 1.00 0.00 C ATOM 519 CG ASN A 36 16.824 3.500 -2.921 1.00 0.00 C ATOM 520 OD1 ASN A 36 17.527 3.410 -3.924 1.00 0.00 O ATOM 521 ND2 ASN A 36 16.826 4.596 -2.187 1.00 0.00 N ATOM 0 H ASN A 36 13.384 1.442 -3.616 1.00 0.00 H new ATOM 0 HA ASN A 36 16.234 1.192 -4.181 1.00 0.00 H new ATOM 0 HB2 ASN A 36 15.079 2.803 -1.911 1.00 0.00 H new ATOM 0 HB3 ASN A 36 16.508 1.826 -1.638 1.00 0.00 H new ATOM 0 HD21 ASN A 36 17.417 5.385 -2.450 1.00 0.00 H new ATOM 0 HD22 ASN A 36 16.236 4.655 -1.357 1.00 0.00 H new ATOM 528 N VAL A 37 15.997 -0.856 -2.513 1.00 0.00 N ATOM 529 CA VAL A 37 15.866 -2.093 -1.761 1.00 0.00 C ATOM 530 C VAL A 37 15.769 -1.821 -0.267 1.00 0.00 C ATOM 531 O VAL A 37 16.662 -1.365 0.442 1.00 0.00 O ATOM 532 CB VAL A 37 17.141 -2.931 -2.026 1.00 0.00 C ATOM 533 CG1 VAL A 37 16.889 -4.350 -1.554 1.00 0.00 C ATOM 534 CG2 VAL A 37 17.628 -2.953 -3.484 1.00 0.00 C ATOM 0 H VAL A 37 16.933 -0.745 -2.904 1.00 0.00 H new ATOM 0 HA VAL A 37 14.961 -2.614 -2.074 1.00 0.00 H new ATOM 0 HB VAL A 37 17.943 -2.444 -1.471 1.00 0.00 H new ATOM 0 HG11 VAL A 37 17.777 -4.956 -1.733 1.00 0.00 H new ATOM 0 HG12 VAL A 37 16.662 -4.344 -0.488 1.00 0.00 H new ATOM 0 HG13 VAL A 37 16.046 -4.771 -2.102 1.00 0.00 H new ATOM 0 HG21 VAL A 37 18.525 -3.567 -3.559 1.00 0.00 H new ATOM 0 HG22 VAL A 37 16.849 -3.370 -4.122 1.00 0.00 H new ATOM 0 HG23 VAL A 37 17.856 -1.937 -3.807 1.00 0.00 H new ATOM 544 N LEU A 38 14.587 -2.180 0.157 1.00 0.00 N ATOM 545 CA LEU A 38 14.118 -2.484 1.460 1.00 0.00 C ATOM 546 C LEU A 38 14.869 -3.633 2.105 1.00 0.00 C ATOM 547 O LEU A 38 15.128 -4.636 1.441 1.00 0.00 O ATOM 548 CB LEU A 38 12.694 -2.956 1.292 1.00 0.00 C ATOM 549 CG LEU A 38 11.824 -2.153 0.335 1.00 0.00 C ATOM 550 CD1 LEU A 38 11.694 -0.646 0.572 1.00 0.00 C ATOM 551 CD2 LEU A 38 11.841 -2.588 -1.107 1.00 0.00 C ATOM 0 H LEU A 38 13.827 -2.276 -0.517 1.00 0.00 H new ATOM 0 HA LEU A 38 14.239 -1.599 2.085 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.715 -3.990 0.949 1.00 0.00 H new ATOM 0 HB3 LEU A 38 12.216 -2.955 2.271 1.00 0.00 H new ATOM 0 HG LEU A 38 10.844 -2.484 0.677 1.00 0.00 H new ATOM 0 HD11 LEU A 38 11.044 -0.213 -0.188 1.00 0.00 H new ATOM 0 HD12 LEU A 38 11.266 -0.468 1.559 1.00 0.00 H new ATOM 0 HD13 LEU A 38 12.679 -0.182 0.515 1.00 0.00 H new ATOM 0 HD21 LEU A 38 11.184 -1.942 -1.690 1.00 0.00 H new ATOM 0 HD22 LEU A 38 12.857 -2.519 -1.496 1.00 0.00 H new ATOM 0 HD23 LEU A 38 11.494 -3.619 -1.180 1.00 0.00 H new ATOM 563 N LYS A 39 15.096 -3.552 3.410 1.00 0.00 N ATOM 564 CA LYS A 39 15.705 -4.617 4.193 1.00 0.00 C ATOM 565 C LYS A 39 14.748 -5.006 5.319 1.00 0.00 C ATOM 566 O LYS A 39 13.876 -4.211 5.686 1.00 0.00 O ATOM 567 CB LYS A 39 17.038 -4.077 4.711 1.00 0.00 C ATOM 568 CG LYS A 39 17.883 -3.472 3.571 1.00 0.00 C ATOM 569 CD LYS A 39 19.130 -2.783 4.093 1.00 0.00 C ATOM 570 CE LYS A 39 19.499 -1.618 3.169 1.00 0.00 C ATOM 571 NZ LYS A 39 20.894 -1.186 3.353 1.00 0.00 N ATOM 0 H LYS A 39 14.857 -2.729 3.963 1.00 0.00 H new ATOM 0 HA LYS A 39 15.892 -5.518 3.609 1.00 0.00 H new ATOM 0 HB2 LYS A 39 16.854 -3.318 5.471 1.00 0.00 H new ATOM 0 HB3 LYS A 39 17.596 -4.881 5.192 1.00 0.00 H new ATOM 0 HG2 LYS A 39 18.169 -4.260 2.874 1.00 0.00 H new ATOM 0 HG3 LYS A 39 17.280 -2.756 3.013 1.00 0.00 H new ATOM 0 HD2 LYS A 39 18.959 -2.417 5.105 1.00 0.00 H new ATOM 0 HD3 LYS A 39 19.955 -3.493 4.146 1.00 0.00 H new ATOM 0 HE2 LYS A 39 19.346 -1.916 2.132 1.00 0.00 H new ATOM 0 HE3 LYS A 39 18.831 -0.778 3.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 21.101 -0.396 2.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 21.035 -0.877 4.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 21.533 -1.979 3.145 1.00 0.00 H new ATOM 585 N GLY A 40 14.882 -6.203 5.890 1.00 0.00 N ATOM 586 CA GLY A 40 13.890 -6.723 6.836 1.00 0.00 C ATOM 587 C GLY A 40 12.786 -7.471 6.080 1.00 0.00 C ATOM 588 O GLY A 40 12.841 -7.592 4.852 1.00 0.00 O ATOM 0 H GLY A 40 15.666 -6.831 5.715 1.00 0.00 H new ATOM 0 HA2 GLY A 40 14.371 -7.392 7.549 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.458 -5.903 7.410 1.00 0.00 H new ATOM 592 N ASN A 41 11.779 -7.979 6.803 1.00 0.00 N ATOM 593 CA ASN A 41 10.629 -8.696 6.213 1.00 0.00 C ATOM 594 C ASN A 41 9.299 -7.957 6.381 1.00 0.00 C ATOM 595 O ASN A 41 8.308 -8.304 5.741 1.00 0.00 O ATOM 596 CB ASN A 41 10.485 -10.080 6.862 1.00 0.00 C ATOM 597 CG ASN A 41 9.456 -10.950 6.138 1.00 0.00 C ATOM 598 OD1 ASN A 41 9.654 -11.354 4.996 1.00 0.00 O ATOM 599 ND2 ASN A 41 8.337 -11.280 6.760 1.00 0.00 N ATOM 0 H ASN A 41 11.734 -7.906 7.819 1.00 0.00 H new ATOM 0 HA ASN A 41 10.840 -8.772 5.146 1.00 0.00 H new ATOM 0 HB2 ASN A 41 11.452 -10.584 6.859 1.00 0.00 H new ATOM 0 HB3 ASN A 41 10.190 -9.962 7.905 1.00 0.00 H new ATOM 0 HD21 ASN A 41 7.646 -11.866 6.291 1.00 0.00 H new ATOM 0 HD22 ASN A 41 8.164 -10.949 7.709 1.00 0.00 H new ATOM 606 N LYS A 42 9.240 -6.976 7.281 1.00 0.00 N ATOM 607 CA LYS A 42 8.010 -6.271 7.615 1.00 0.00 C ATOM 608 C LYS A 42 7.769 -5.197 6.573 1.00 0.00 C ATOM 609 O LYS A 42 8.413 -4.154 6.619 1.00 0.00 O ATOM 610 CB LYS A 42 8.115 -5.670 9.022 1.00 0.00 C ATOM 611 CG LYS A 42 8.279 -6.689 10.158 1.00 0.00 C ATOM 612 CD LYS A 42 7.030 -7.562 10.299 1.00 0.00 C ATOM 613 CE LYS A 42 7.177 -8.549 11.450 1.00 0.00 C ATOM 614 NZ LYS A 42 6.015 -9.456 11.516 1.00 0.00 N ATOM 0 H LYS A 42 10.054 -6.648 7.801 1.00 0.00 H new ATOM 0 HA LYS A 42 7.166 -6.961 7.614 1.00 0.00 H new ATOM 0 HB2 LYS A 42 8.963 -4.985 9.045 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.221 -5.077 9.214 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.147 -7.319 9.963 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.469 -6.166 11.095 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.158 -6.930 10.467 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.856 -8.105 9.370 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.090 -9.130 11.322 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.274 -8.006 12.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.137 -10.120 12.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.148 -8.900 11.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.940 -9.989 10.626 1.00 0.00 H new ATOM 628 N LEU A 43 6.881 -5.472 5.623 1.00 0.00 N ATOM 629 CA LEU A 43 6.510 -4.570 4.547 1.00 0.00 C ATOM 630 C LEU A 43 5.420 -3.652 5.089 1.00 0.00 C ATOM 631 O LEU A 43 4.493 -4.134 5.750 1.00 0.00 O ATOM 632 CB LEU A 43 5.972 -5.408 3.368 1.00 0.00 C ATOM 633 CG LEU A 43 6.381 -4.890 1.982 1.00 0.00 C ATOM 634 CD1 LEU A 43 5.811 -5.819 0.905 1.00 0.00 C ATOM 635 CD2 LEU A 43 5.876 -3.477 1.690 1.00 0.00 C ATOM 0 H LEU A 43 6.384 -6.362 5.583 1.00 0.00 H new ATOM 0 HA LEU A 43 7.358 -3.980 4.198 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.324 -6.434 3.477 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.884 -5.436 3.425 1.00 0.00 H new ATOM 0 HG LEU A 43 7.471 -4.868 1.972 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.100 -5.454 -0.081 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.203 -6.826 1.048 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.724 -5.839 0.980 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.201 -3.173 0.695 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.787 -3.463 1.737 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.280 -2.786 2.430 1.00 0.00 H new ATOM 647 N TYR A 44 5.476 -2.360 4.790 1.00 0.00 N ATOM 648 CA TYR A 44 4.441 -1.408 5.162 1.00 0.00 C ATOM 649 C TYR A 44 4.070 -0.599 3.921 1.00 0.00 C ATOM 650 O TYR A 44 4.948 -0.208 3.150 1.00 0.00 O ATOM 651 CB TYR A 44 4.940 -0.528 6.315 1.00 0.00 C ATOM 652 CG TYR A 44 5.286 -1.287 7.586 1.00 0.00 C ATOM 653 CD1 TYR A 44 4.255 -1.721 8.443 1.00 0.00 C ATOM 654 CD2 TYR A 44 6.629 -1.549 7.924 1.00 0.00 C ATOM 655 CE1 TYR A 44 4.564 -2.386 9.644 1.00 0.00 C ATOM 656 CE2 TYR A 44 6.945 -2.215 9.123 1.00 0.00 C ATOM 657 CZ TYR A 44 5.911 -2.616 10.001 1.00 0.00 C ATOM 658 OH TYR A 44 6.173 -3.254 11.176 1.00 0.00 O ATOM 0 H TYR A 44 6.251 -1.941 4.276 1.00 0.00 H new ATOM 0 HA TYR A 44 3.545 -1.915 5.520 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.822 0.018 5.982 1.00 0.00 H new ATOM 0 HB3 TYR A 44 4.175 0.213 6.547 1.00 0.00 H new ATOM 0 HD1 TYR A 44 3.224 -1.543 8.177 1.00 0.00 H new ATOM 0 HD2 TYR A 44 7.421 -1.237 7.259 1.00 0.00 H new ATOM 0 HE1 TYR A 44 3.769 -2.721 10.294 1.00 0.00 H new ATOM 0 HE2 TYR A 44 7.976 -2.420 9.372 1.00 0.00 H new ATOM 0 HH TYR A 44 7.142 -3.344 11.290 1.00 0.00 H new ATOM 668 N VAL A 45 2.770 -0.378 3.701 1.00 0.00 N ATOM 669 CA VAL A 45 2.240 0.278 2.506 1.00 0.00 C ATOM 670 C VAL A 45 1.181 1.293 2.934 1.00 0.00 C ATOM 671 O VAL A 45 0.408 1.022 3.858 1.00 0.00 O ATOM 672 CB VAL A 45 1.666 -0.757 1.517 1.00 0.00 C ATOM 673 CG1 VAL A 45 1.499 -0.095 0.165 1.00 0.00 C ATOM 674 CG2 VAL A 45 2.563 -1.996 1.366 1.00 0.00 C ATOM 0 H VAL A 45 2.045 -0.656 4.362 1.00 0.00 H new ATOM 0 HA VAL A 45 3.043 0.799 1.985 1.00 0.00 H new ATOM 0 HB VAL A 45 0.710 -1.099 1.913 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.094 -0.816 -0.545 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.816 0.749 0.255 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.467 0.258 -0.189 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.109 -2.690 0.658 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.544 -1.693 0.999 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.673 -2.485 2.334 1.00 0.00 H new ATOM 684 N LYS A 46 1.132 2.434 2.236 1.00 0.00 N ATOM 685 CA LYS A 46 0.205 3.537 2.480 1.00 0.00 C ATOM 686 C LYS A 46 -0.535 3.850 1.175 1.00 0.00 C ATOM 687 O LYS A 46 -0.555 4.994 0.713 1.00 0.00 O ATOM 688 CB LYS A 46 1.003 4.733 3.026 1.00 0.00 C ATOM 689 CG LYS A 46 0.080 5.809 3.619 1.00 0.00 C ATOM 690 CD LYS A 46 0.630 7.237 3.510 1.00 0.00 C ATOM 691 CE LYS A 46 1.900 7.466 4.337 1.00 0.00 C ATOM 692 NZ LYS A 46 2.475 8.802 4.078 1.00 0.00 N ATOM 0 H LYS A 46 1.763 2.618 1.456 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.548 3.282 3.225 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.698 4.388 3.791 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.601 5.168 2.225 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.885 5.763 3.114 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.099 5.580 4.669 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.842 7.458 2.464 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.137 7.940 3.835 1.00 0.00 H new ATOM 0 HE2 LYS A 46 1.669 7.366 5.398 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.636 6.698 4.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.333 8.928 4.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.717 8.886 3.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.780 9.534 4.330 1.00 0.00 H new ATOM 706 N ALA A 47 -1.128 2.838 0.545 1.00 0.00 N ATOM 707 CA ALA A 47 -1.747 2.987 -0.766 1.00 0.00 C ATOM 708 C ALA A 47 -2.955 3.896 -0.630 1.00 0.00 C ATOM 709 O ALA A 47 -3.808 3.566 0.178 1.00 0.00 O ATOM 710 CB ALA A 47 -2.119 1.615 -1.325 1.00 0.00 C ATOM 0 H ALA A 47 -1.192 1.895 0.929 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.051 3.442 -1.471 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.581 1.734 -2.305 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.221 1.005 -1.419 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.821 1.125 -0.650 1.00 0.00 H new ATOM 716 N ARG A 48 -3.026 5.027 -1.341 1.00 0.00 N ATOM 717 CA ARG A 48 -4.120 6.005 -1.259 1.00 0.00 C ATOM 718 C ARG A 48 -5.379 5.414 -1.867 1.00 0.00 C ATOM 719 O ARG A 48 -5.306 4.789 -2.924 1.00 0.00 O ATOM 720 CB ARG A 48 -3.680 7.318 -1.931 1.00 0.00 C ATOM 721 CG ARG A 48 -4.811 8.350 -2.108 1.00 0.00 C ATOM 722 CD ARG A 48 -4.323 9.808 -2.147 1.00 0.00 C ATOM 723 NE ARG A 48 -3.639 10.246 -0.915 1.00 0.00 N ATOM 724 CZ ARG A 48 -3.495 11.499 -0.462 1.00 0.00 C ATOM 725 NH1 ARG A 48 -3.979 12.543 -1.129 1.00 0.00 N ATOM 726 NH2 ARG A 48 -2.874 11.705 0.689 1.00 0.00 N ATOM 0 H ARG A 48 -2.304 5.296 -2.009 1.00 0.00 H new ATOM 0 HA ARG A 48 -4.354 6.240 -0.220 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -2.884 7.767 -1.337 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.257 7.088 -2.909 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -5.348 8.132 -3.031 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -5.524 8.237 -1.291 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.643 9.930 -2.990 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -5.177 10.461 -2.328 1.00 0.00 H new ATOM 0 HE ARG A 48 -3.228 9.509 -0.341 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.475 12.401 -2.009 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -3.855 13.486 -0.760 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -2.511 10.914 1.221 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -2.759 12.654 1.043 1.00 0.00 H new ATOM 740 N PHE A 49 -6.504 5.595 -1.171 1.00 0.00 N ATOM 741 CA PHE A 49 -7.821 5.069 -1.501 1.00 0.00 C ATOM 742 C PHE A 49 -8.712 6.297 -1.662 1.00 0.00 C ATOM 743 O PHE A 49 -9.234 6.785 -0.655 1.00 0.00 O ATOM 744 CB PHE A 49 -8.390 4.140 -0.388 1.00 0.00 C ATOM 745 CG PHE A 49 -7.757 2.774 -0.131 1.00 0.00 C ATOM 746 CD1 PHE A 49 -6.461 2.416 -0.550 1.00 0.00 C ATOM 747 CD2 PHE A 49 -8.492 1.843 0.622 1.00 0.00 C ATOM 748 CE1 PHE A 49 -5.896 1.183 -0.180 1.00 0.00 C ATOM 749 CE2 PHE A 49 -7.954 0.589 0.947 1.00 0.00 C ATOM 750 CZ PHE A 49 -6.653 0.255 0.542 1.00 0.00 C ATOM 0 H PHE A 49 -6.515 6.146 -0.312 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.773 4.456 -2.401 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -8.351 4.696 0.549 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -9.443 3.971 -0.615 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.893 3.099 -1.165 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -9.487 2.097 0.956 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -4.877 0.952 -0.453 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -8.542 -0.121 1.510 1.00 0.00 H new ATOM 0 HZ PHE A 49 -6.239 -0.712 0.786 1.00 0.00 H new ATOM 760 N MET A 50 -8.821 6.864 -2.869 1.00 0.00 N ATOM 761 CA MET A 50 -9.733 7.981 -3.088 1.00 0.00 C ATOM 762 C MET A 50 -11.113 7.368 -3.297 1.00 0.00 C ATOM 763 O MET A 50 -11.338 6.722 -4.317 1.00 0.00 O ATOM 764 CB MET A 50 -9.370 8.861 -4.295 1.00 0.00 C ATOM 765 CG MET A 50 -7.883 9.207 -4.421 1.00 0.00 C ATOM 766 SD MET A 50 -7.390 10.834 -3.820 1.00 0.00 S ATOM 767 CE MET A 50 -8.013 10.730 -2.134 1.00 0.00 C ATOM 0 H MET A 50 -8.297 6.571 -3.693 1.00 0.00 H new ATOM 0 HA MET A 50 -9.684 8.646 -2.226 1.00 0.00 H new ATOM 0 HB2 MET A 50 -9.687 8.352 -5.205 1.00 0.00 H new ATOM 0 HB3 MET A 50 -9.939 9.788 -4.234 1.00 0.00 H new ATOM 0 HG2 MET A 50 -7.309 8.454 -3.881 1.00 0.00 H new ATOM 0 HG3 MET A 50 -7.601 9.130 -5.471 1.00 0.00 H new ATOM 0 HE1 MET A 50 -7.546 11.504 -1.525 1.00 0.00 H new ATOM 0 HE2 MET A 50 -9.094 10.872 -2.136 1.00 0.00 H new ATOM 0 HE3 MET A 50 -7.777 9.750 -1.719 1.00 0.00 H new ATOM 777 N GLY A 51 -12.012 7.525 -2.340 1.00 0.00 N ATOM 778 CA GLY A 51 -13.376 7.007 -2.421 1.00 0.00 C ATOM 779 C GLY A 51 -13.644 5.897 -1.407 1.00 0.00 C ATOM 780 O GLY A 51 -12.720 5.255 -0.900 1.00 0.00 O ATOM 0 H GLY A 51 -11.817 8.022 -1.471 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -14.081 7.822 -2.256 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -13.557 6.627 -3.426 1.00 0.00 H new ATOM 784 N TYR A 52 -14.917 5.699 -1.068 1.00 0.00 N ATOM 785 CA TYR A 52 -15.387 4.817 -0.012 1.00 0.00 C ATOM 786 C TYR A 52 -15.190 3.357 -0.413 1.00 0.00 C ATOM 787 O TYR A 52 -15.623 2.918 -1.482 1.00 0.00 O ATOM 788 CB TYR A 52 -16.866 5.108 0.318 1.00 0.00 C ATOM 789 CG TYR A 52 -17.096 5.616 1.728 1.00 0.00 C ATOM 790 CD1 TYR A 52 -17.299 4.721 2.795 1.00 0.00 C ATOM 791 CD2 TYR A 52 -17.126 6.999 1.967 1.00 0.00 C ATOM 792 CE1 TYR A 52 -17.558 5.217 4.089 1.00 0.00 C ATOM 793 CE2 TYR A 52 -17.384 7.503 3.255 1.00 0.00 C ATOM 794 CZ TYR A 52 -17.600 6.609 4.326 1.00 0.00 C ATOM 795 OH TYR A 52 -17.842 7.084 5.583 1.00 0.00 O ATOM 0 H TYR A 52 -15.682 6.174 -1.548 1.00 0.00 H new ATOM 0 HA TYR A 52 -14.800 5.004 0.887 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -17.247 5.845 -0.389 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -17.446 4.197 0.172 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -17.256 3.656 2.623 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -16.949 7.685 1.152 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -17.725 4.529 4.904 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -17.417 8.569 3.424 1.00 0.00 H new ATOM 0 HH TYR A 52 -17.835 8.064 5.569 1.00 0.00 H new ATOM 805 N THR A 53 -14.574 2.600 0.484 1.00 0.00 N ATOM 806 CA THR A 53 -14.509 1.148 0.500 1.00 0.00 C ATOM 807 C THR A 53 -14.235 0.750 1.943 1.00 0.00 C ATOM 808 O THR A 53 -13.693 1.560 2.700 1.00 0.00 O ATOM 809 CB THR A 53 -13.425 0.657 -0.478 1.00 0.00 C ATOM 810 OG1 THR A 53 -13.326 -0.753 -0.465 1.00 0.00 O ATOM 811 CG2 THR A 53 -12.044 1.240 -0.159 1.00 0.00 C ATOM 0 H THR A 53 -14.074 3.013 1.271 1.00 0.00 H new ATOM 0 HA THR A 53 -15.437 0.685 0.166 1.00 0.00 H new ATOM 0 HB THR A 53 -13.734 1.002 -1.464 1.00 0.00 H new ATOM 0 HG1 THR A 53 -13.814 -1.122 -1.230 1.00 0.00 H new ATOM 0 HG21 THR A 53 -11.315 0.863 -0.877 1.00 0.00 H new ATOM 0 HG22 THR A 53 -12.085 2.327 -0.220 1.00 0.00 H new ATOM 0 HG23 THR A 53 -11.748 0.944 0.848 1.00 0.00 H new ATOM 819 N LYS A 54 -14.560 -0.493 2.304 1.00 0.00 N ATOM 820 CA LYS A 54 -14.132 -1.134 3.544 1.00 0.00 C ATOM 821 C LYS A 54 -13.811 -2.615 3.291 1.00 0.00 C ATOM 822 O LYS A 54 -14.072 -3.466 4.146 1.00 0.00 O ATOM 823 CB LYS A 54 -15.174 -0.880 4.665 1.00 0.00 C ATOM 824 CG LYS A 54 -14.924 0.430 5.438 1.00 0.00 C ATOM 825 CD LYS A 54 -14.462 0.230 6.889 1.00 0.00 C ATOM 826 CE LYS A 54 -13.894 1.532 7.482 1.00 0.00 C ATOM 827 NZ LYS A 54 -14.902 2.364 8.174 1.00 0.00 N ATOM 0 H LYS A 54 -15.144 -1.096 1.725 1.00 0.00 H new ATOM 0 HA LYS A 54 -13.203 -0.690 3.902 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -16.171 -0.851 4.226 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -15.158 -1.716 5.364 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -14.172 1.014 4.907 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -15.842 1.018 5.439 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -15.300 -0.112 7.495 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -13.702 -0.550 6.926 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -13.098 1.283 8.184 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -13.441 2.117 6.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.447 3.222 8.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -15.650 2.632 7.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -15.318 1.824 8.959 1.00 0.00 H new ATOM 841 N LEU A 55 -13.306 -2.960 2.098 1.00 0.00 N ATOM 842 CA LEU A 55 -13.068 -4.346 1.695 1.00 0.00 C ATOM 843 C LEU A 55 -11.734 -4.446 0.946 1.00 0.00 C ATOM 844 O LEU A 55 -11.684 -4.661 -0.270 1.00 0.00 O ATOM 845 CB LEU A 55 -14.281 -4.858 0.888 1.00 0.00 C ATOM 846 CG LEU A 55 -14.627 -6.343 1.089 1.00 0.00 C ATOM 847 CD1 LEU A 55 -13.446 -7.293 0.866 1.00 0.00 C ATOM 848 CD2 LEU A 55 -15.220 -6.589 2.481 1.00 0.00 C ATOM 0 H LEU A 55 -13.051 -2.278 1.384 1.00 0.00 H new ATOM 0 HA LEU A 55 -12.976 -4.997 2.564 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -15.152 -4.260 1.155 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -14.090 -4.687 -0.171 1.00 0.00 H new ATOM 0 HG LEU A 55 -15.367 -6.568 0.321 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -13.771 -8.321 1.027 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -13.079 -7.184 -0.154 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -12.647 -7.051 1.567 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -15.455 -7.647 2.595 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -14.497 -6.294 3.242 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -16.130 -6.001 2.598 1.00 0.00 H new ATOM 860 N THR A 56 -10.639 -4.256 1.681 1.00 0.00 N ATOM 861 CA THR A 56 -9.297 -4.322 1.122 1.00 0.00 C ATOM 862 C THR A 56 -8.951 -5.796 0.919 1.00 0.00 C ATOM 863 O THR A 56 -9.127 -6.574 1.859 1.00 0.00 O ATOM 864 CB THR A 56 -8.277 -3.702 2.099 1.00 0.00 C ATOM 865 OG1 THR A 56 -8.679 -2.446 2.624 1.00 0.00 O ATOM 866 CG2 THR A 56 -6.947 -3.534 1.359 1.00 0.00 C ATOM 0 H THR A 56 -10.661 -4.052 2.680 1.00 0.00 H new ATOM 0 HA THR A 56 -9.260 -3.772 0.182 1.00 0.00 H new ATOM 0 HB THR A 56 -8.190 -4.377 2.950 1.00 0.00 H new ATOM 0 HG1 THR A 56 -7.917 -2.018 3.067 1.00 0.00 H new ATOM 0 HG21 THR A 56 -6.209 -3.096 2.031 1.00 0.00 H new ATOM 0 HG22 THR A 56 -6.595 -4.508 1.018 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.089 -2.878 0.500 1.00 0.00 H new ATOM 874 N VAL A 57 -8.355 -6.201 -0.204 1.00 0.00 N ATOM 875 CA VAL A 57 -7.861 -7.567 -0.370 1.00 0.00 C ATOM 876 C VAL A 57 -6.390 -7.538 -0.806 1.00 0.00 C ATOM 877 O VAL A 57 -5.931 -6.635 -1.507 1.00 0.00 O ATOM 878 CB VAL A 57 -8.804 -8.363 -1.296 1.00 0.00 C ATOM 879 CG1 VAL A 57 -8.340 -9.810 -1.522 1.00 0.00 C ATOM 880 CG2 VAL A 57 -10.210 -8.429 -0.676 1.00 0.00 C ATOM 0 H VAL A 57 -8.203 -5.600 -1.014 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.873 -8.105 0.578 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.803 -7.839 -2.252 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -9.043 -10.319 -2.181 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.351 -9.808 -1.979 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.296 -10.332 -0.566 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.872 -8.992 -1.334 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.157 -8.923 0.294 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.599 -7.419 -0.548 1.00 0.00 H new ATOM 890 N ILE A 58 -5.651 -8.549 -0.352 1.00 0.00 N ATOM 891 CA ILE A 58 -4.269 -8.887 -0.649 1.00 0.00 C ATOM 892 C ILE A 58 -4.332 -10.410 -0.807 1.00 0.00 C ATOM 893 O ILE A 58 -4.706 -11.078 0.158 1.00 0.00 O ATOM 894 CB ILE A 58 -3.321 -8.466 0.508 1.00 0.00 C ATOM 895 CG1 ILE A 58 -3.350 -6.956 0.845 1.00 0.00 C ATOM 896 CG2 ILE A 58 -1.875 -8.862 0.167 1.00 0.00 C ATOM 897 CD1 ILE A 58 -2.751 -6.641 2.227 1.00 0.00 C ATOM 0 H ILE A 58 -6.054 -9.220 0.302 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.872 -8.378 -1.527 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.688 -8.993 1.389 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.798 -6.408 0.082 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.380 -6.601 0.811 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.215 -8.564 0.982 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.816 -9.942 0.028 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.567 -8.361 -0.751 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.799 -5.567 2.408 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.318 -7.164 2.997 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.712 -6.968 2.256 1.00 0.00 H new ATOM 909 N THR A 59 -4.087 -10.935 -2.007 1.00 0.00 N ATOM 910 CA THR A 59 -4.212 -12.332 -2.406 1.00 0.00 C ATOM 911 C THR A 59 -3.141 -13.227 -1.756 1.00 0.00 C ATOM 912 O THR A 59 -3.389 -14.401 -1.484 1.00 0.00 O ATOM 913 CB THR A 59 -4.098 -12.380 -3.946 1.00 0.00 C ATOM 914 OG1 THR A 59 -4.950 -11.398 -4.534 1.00 0.00 O ATOM 915 CG2 THR A 59 -4.426 -13.742 -4.559 1.00 0.00 C ATOM 0 H THR A 59 -3.773 -10.350 -2.781 1.00 0.00 H new ATOM 0 HA THR A 59 -5.173 -12.720 -2.068 1.00 0.00 H new ATOM 0 HB THR A 59 -3.049 -12.177 -4.164 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.120 -11.631 -5.471 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.321 -13.688 -5.643 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.741 -14.493 -4.165 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.450 -14.017 -4.307 1.00 0.00 H new ATOM 923 N GLY A 60 -1.953 -12.664 -1.514 1.00 0.00 N ATOM 924 CA GLY A 60 -0.745 -13.393 -1.142 1.00 0.00 C ATOM 925 C GLY A 60 -0.450 -14.548 -2.076 1.00 0.00 C ATOM 926 O GLY A 60 -0.991 -14.641 -3.177 1.00 0.00 O ATOM 0 H GLY A 60 -1.805 -11.657 -1.575 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.102 -12.707 -1.140 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.852 -13.771 -0.125 1.00 0.00 H new ATOM 930 N LYS A 61 0.455 -15.416 -1.630 1.00 0.00 N ATOM 931 CA LYS A 61 0.777 -16.625 -2.373 1.00 0.00 C ATOM 932 C LYS A 61 -0.203 -17.759 -2.089 1.00 0.00 C ATOM 933 O LYS A 61 -0.366 -18.641 -2.928 1.00 0.00 O ATOM 934 CB LYS A 61 2.236 -16.986 -2.105 1.00 0.00 C ATOM 935 CG LYS A 61 2.528 -17.714 -0.789 1.00 0.00 C ATOM 936 CD LYS A 61 4.028 -18.009 -0.659 1.00 0.00 C ATOM 937 CE LYS A 61 4.867 -16.752 -0.390 1.00 0.00 C ATOM 938 NZ LYS A 61 6.230 -16.772 -0.964 1.00 0.00 N ATOM 0 H LYS A 61 0.975 -15.303 -0.760 1.00 0.00 H new ATOM 0 HA LYS A 61 0.664 -16.442 -3.442 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.590 -17.610 -2.926 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.824 -16.068 -2.125 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.197 -17.104 0.052 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.963 -18.646 -0.749 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.183 -18.722 0.150 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.380 -18.484 -1.575 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.335 -15.887 -0.787 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.946 -16.610 0.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.847 -16.138 -0.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.608 -17.740 -0.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.195 -16.451 -1.953 1.00 0.00 H new ATOM 952 N ASP A 62 -0.870 -17.709 -0.935 1.00 0.00 N ATOM 953 CA ASP A 62 -1.883 -18.683 -0.526 1.00 0.00 C ATOM 954 C ASP A 62 -3.118 -18.678 -1.438 1.00 0.00 C ATOM 955 O ASP A 62 -3.867 -19.653 -1.473 1.00 0.00 O ATOM 956 CB ASP A 62 -2.307 -18.402 0.922 1.00 0.00 C ATOM 957 CG ASP A 62 -3.044 -19.595 1.545 1.00 0.00 C ATOM 958 OD1 ASP A 62 -2.406 -20.661 1.694 1.00 0.00 O ATOM 959 OD2 ASP A 62 -4.213 -19.452 1.959 1.00 0.00 O ATOM 0 H ASP A 62 -0.718 -16.974 -0.244 1.00 0.00 H new ATOM 0 HA ASP A 62 -1.432 -19.672 -0.607 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -1.426 -18.168 1.519 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -2.952 -17.524 0.947 1.00 0.00 H new ATOM 964 N GLY A 63 -3.348 -17.603 -2.202 1.00 0.00 N ATOM 965 CA GLY A 63 -4.546 -17.465 -3.024 1.00 0.00 C ATOM 966 C GLY A 63 -5.799 -17.299 -2.165 1.00 0.00 C ATOM 967 O GLY A 63 -6.897 -17.702 -2.567 1.00 0.00 O ATOM 0 H GLY A 63 -2.709 -16.810 -2.264 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.439 -16.604 -3.683 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.654 -18.343 -3.661 1.00 0.00 H new ATOM 971 N LYS A 64 -5.645 -16.722 -0.974 1.00 0.00 N ATOM 972 CA LYS A 64 -6.690 -16.364 -0.032 1.00 0.00 C ATOM 973 C LYS A 64 -6.257 -15.076 0.644 1.00 0.00 C ATOM 974 O LYS A 64 -5.060 -14.799 0.734 1.00 0.00 O ATOM 975 CB LYS A 64 -6.848 -17.446 1.039 1.00 0.00 C ATOM 976 CG LYS A 64 -7.234 -18.824 0.502 1.00 0.00 C ATOM 977 CD LYS A 64 -7.939 -19.607 1.616 1.00 0.00 C ATOM 978 CE LYS A 64 -8.283 -21.039 1.202 1.00 0.00 C ATOM 979 NZ LYS A 64 -9.129 -21.691 2.223 1.00 0.00 N ATOM 0 H LYS A 64 -4.719 -16.478 -0.623 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.640 -16.254 -0.555 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.910 -17.534 1.588 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.606 -17.124 1.753 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.891 -18.722 -0.362 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.347 -19.361 0.166 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -7.299 -19.632 2.498 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -8.853 -19.085 1.899 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -8.803 -21.031 0.244 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.366 -21.612 1.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -9.351 -22.662 1.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.621 -21.717 3.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -10.012 -21.154 2.337 1.00 0.00 H new ATOM 993 N ASN A 65 -7.201 -14.299 1.161 1.00 0.00 N ATOM 994 CA ASN A 65 -6.896 -12.970 1.666 1.00 0.00 C ATOM 995 C ASN A 65 -5.917 -13.000 2.848 1.00 0.00 C ATOM 996 O ASN A 65 -6.303 -13.450 3.919 1.00 0.00 O ATOM 997 CB ASN A 65 -8.194 -12.265 2.078 1.00 0.00 C ATOM 998 CG ASN A 65 -8.010 -10.814 2.459 1.00 0.00 C ATOM 999 OD1 ASN A 65 -8.874 -10.207 3.073 1.00 0.00 O ATOM 1000 ND2 ASN A 65 -6.903 -10.191 2.126 1.00 0.00 N ATOM 0 H ASN A 65 -8.182 -14.567 1.241 1.00 0.00 H new ATOM 0 HA ASN A 65 -6.409 -12.419 0.862 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -8.906 -12.327 1.255 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -8.634 -12.799 2.921 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -6.773 -9.212 2.380 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -6.174 -10.686 1.613 1.00 0.00 H new ATOM 1007 N LEU A 66 -4.700 -12.452 2.709 1.00 0.00 N ATOM 1008 CA LEU A 66 -3.721 -12.388 3.806 1.00 0.00 C ATOM 1009 C LEU A 66 -4.234 -11.635 5.038 1.00 0.00 C ATOM 1010 O LEU A 66 -3.891 -11.995 6.165 1.00 0.00 O ATOM 1011 CB LEU A 66 -2.414 -11.718 3.358 1.00 0.00 C ATOM 1012 CG LEU A 66 -1.655 -12.443 2.237 1.00 0.00 C ATOM 1013 CD1 LEU A 66 -0.295 -11.758 2.054 1.00 0.00 C ATOM 1014 CD2 LEU A 66 -1.428 -13.923 2.552 1.00 0.00 C ATOM 0 H LEU A 66 -4.367 -12.042 1.836 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.546 -13.428 4.080 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.640 -10.705 3.025 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.755 -11.630 4.222 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.256 -12.389 1.329 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.261 -12.259 1.261 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.447 -10.712 1.786 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.269 -11.815 2.985 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.888 -14.391 1.729 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.845 -14.015 3.468 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.390 -14.419 2.683 1.00 0.00 H new ATOM 1026 N LEU A 67 -5.066 -10.603 4.839 1.00 0.00 N ATOM 1027 CA LEU A 67 -5.735 -9.864 5.919 1.00 0.00 C ATOM 1028 C LEU A 67 -6.732 -10.739 6.688 1.00 0.00 C ATOM 1029 O LEU A 67 -7.325 -10.295 7.672 1.00 0.00 O ATOM 1030 CB LEU A 67 -6.509 -8.666 5.331 1.00 0.00 C ATOM 1031 CG LEU A 67 -6.031 -7.275 5.772 1.00 0.00 C ATOM 1032 CD1 LEU A 67 -4.707 -6.839 5.156 1.00 0.00 C ATOM 1033 CD2 LEU A 67 -7.117 -6.246 5.424 1.00 0.00 C ATOM 0 H LEU A 67 -5.297 -10.253 3.909 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.956 -9.532 6.606 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.452 -8.720 4.244 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.560 -8.770 5.601 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.856 -7.334 6.846 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.445 -5.846 5.522 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.926 -7.546 5.435 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.802 -6.812 4.070 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.790 -5.253 5.732 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.293 -6.252 4.348 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.040 -6.501 5.944 1.00 0.00 H new ATOM 1045 N TYR A 68 -6.992 -11.940 6.181 1.00 0.00 N ATOM 1046 CA TYR A 68 -7.907 -12.928 6.701 1.00 0.00 C ATOM 1047 C TYR A 68 -7.180 -14.278 6.824 1.00 0.00 C ATOM 1048 O TYR A 68 -7.792 -15.344 6.742 1.00 0.00 O ATOM 1049 CB TYR A 68 -9.133 -12.940 5.775 1.00 0.00 C ATOM 1050 CG TYR A 68 -10.407 -13.219 6.546 1.00 0.00 C ATOM 1051 CD1 TYR A 68 -10.851 -12.290 7.504 1.00 0.00 C ATOM 1052 CD2 TYR A 68 -11.083 -14.445 6.397 1.00 0.00 C ATOM 1053 CE1 TYR A 68 -11.944 -12.591 8.329 1.00 0.00 C ATOM 1054 CE2 TYR A 68 -12.197 -14.743 7.201 1.00 0.00 C ATOM 1055 CZ TYR A 68 -12.614 -13.825 8.191 1.00 0.00 C ATOM 1056 OH TYR A 68 -13.665 -14.112 9.003 1.00 0.00 O ATOM 0 H TYR A 68 -6.529 -12.264 5.332 1.00 0.00 H new ATOM 0 HA TYR A 68 -8.259 -12.699 7.707 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -9.217 -11.979 5.267 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -9.000 -13.698 5.003 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -10.347 -11.340 7.605 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -10.744 -15.160 5.662 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -12.273 -11.878 9.070 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -12.732 -15.671 7.062 1.00 0.00 H new ATOM 0 HH TYR A 68 -14.018 -14.999 8.781 1.00 0.00 H new ATOM 1066 N ASN A 69 -5.853 -14.233 6.967 1.00 0.00 N ATOM 1067 CA ASN A 69 -4.990 -15.380 7.204 1.00 0.00 C ATOM 1068 C ASN A 69 -4.549 -15.351 8.659 1.00 0.00 C ATOM 1069 O ASN A 69 -4.935 -16.222 9.434 1.00 0.00 O ATOM 1070 CB ASN A 69 -3.799 -15.340 6.241 1.00 0.00 C ATOM 1071 CG ASN A 69 -2.961 -16.600 6.362 1.00 0.00 C ATOM 1072 OD1 ASN A 69 -1.883 -16.572 6.940 1.00 0.00 O ATOM 1073 ND2 ASN A 69 -3.421 -17.708 5.816 1.00 0.00 N ATOM 0 H ASN A 69 -5.334 -13.356 6.918 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.521 -16.314 7.019 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -4.158 -15.234 5.217 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -3.183 -14.467 6.455 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -2.875 -18.568 5.870 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -4.323 -17.705 5.340 1.00 0.00 H new ATOM 1080 N GLY A 70 -3.822 -14.295 9.033 1.00 0.00 N ATOM 1081 CA GLY A 70 -3.375 -14.047 10.395 1.00 0.00 C ATOM 1082 C GLY A 70 -2.234 -13.037 10.451 1.00 0.00 C ATOM 1083 O GLY A 70 -2.073 -12.372 11.471 1.00 0.00 O ATOM 0 H GLY A 70 -3.523 -13.574 8.376 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -4.212 -13.681 10.989 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -3.050 -14.985 10.846 1.00 0.00 H new ATOM 1087 N THR A 71 -1.449 -12.877 9.378 1.00 0.00 N ATOM 1088 CA THR A 71 -0.301 -11.975 9.414 1.00 0.00 C ATOM 1089 C THR A 71 -0.765 -10.532 9.222 1.00 0.00 C ATOM 1090 O THR A 71 -0.509 -9.671 10.058 1.00 0.00 O ATOM 1091 CB THR A 71 0.744 -12.351 8.347 1.00 0.00 C ATOM 1092 OG1 THR A 71 0.750 -13.739 8.079 1.00 0.00 O ATOM 1093 CG2 THR A 71 2.156 -11.913 8.757 1.00 0.00 C ATOM 0 H THR A 71 -1.588 -13.355 8.488 1.00 0.00 H new ATOM 0 HA THR A 71 0.175 -12.071 10.390 1.00 0.00 H new ATOM 0 HB THR A 71 0.455 -11.819 7.441 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.424 -13.937 7.396 1.00 0.00 H new ATOM 0 HG21 THR A 71 2.865 -12.196 7.979 1.00 0.00 H new ATOM 0 HG22 THR A 71 2.177 -10.832 8.891 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.431 -12.400 9.693 1.00 0.00 H new ATOM 1101 N ALA A 72 -1.397 -10.267 8.077 1.00 0.00 N ATOM 1102 CA ALA A 72 -1.636 -8.911 7.634 1.00 0.00 C ATOM 1103 C ALA A 72 -2.896 -8.357 8.295 1.00 0.00 C ATOM 1104 O ALA A 72 -3.803 -9.103 8.686 1.00 0.00 O ATOM 1105 CB ALA A 72 -1.721 -8.899 6.104 1.00 0.00 C ATOM 0 H ALA A 72 -1.750 -10.984 7.444 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.814 -8.260 7.932 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.901 -7.881 5.758 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.784 -9.264 5.685 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.539 -9.543 5.780 1.00 0.00 H new ATOM 1111 N LYS A 73 -2.982 -7.031 8.382 1.00 0.00 N ATOM 1112 CA LYS A 73 -4.074 -6.331 9.049 1.00 0.00 C ATOM 1113 C LYS A 73 -4.072 -4.884 8.570 1.00 0.00 C ATOM 1114 O LYS A 73 -3.005 -4.340 8.270 1.00 0.00 O ATOM 1115 CB LYS A 73 -3.821 -6.459 10.561 1.00 0.00 C ATOM 1116 CG LYS A 73 -4.814 -5.779 11.503 1.00 0.00 C ATOM 1117 CD LYS A 73 -6.252 -6.337 11.457 1.00 0.00 C ATOM 1118 CE LYS A 73 -6.400 -7.805 11.917 1.00 0.00 C ATOM 1119 NZ LYS A 73 -7.284 -7.964 13.096 1.00 0.00 N ATOM 0 H LYS A 73 -2.283 -6.404 7.984 1.00 0.00 H new ATOM 0 HA LYS A 73 -5.056 -6.746 8.822 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -3.795 -7.520 10.809 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.829 -6.058 10.771 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -4.440 -5.866 12.523 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -4.846 -4.716 11.265 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -6.888 -5.711 12.082 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -6.625 -6.253 10.436 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -6.795 -8.399 11.093 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -5.414 -8.205 12.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -7.341 -8.970 13.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -6.897 -7.423 13.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -8.235 -7.611 12.867 1.00 0.00 H new ATOM 1133 N MET A 74 -5.244 -4.245 8.513 1.00 0.00 N ATOM 1134 CA MET A 74 -5.305 -2.791 8.483 1.00 0.00 C ATOM 1135 C MET A 74 -5.165 -2.360 9.938 1.00 0.00 C ATOM 1136 O MET A 74 -6.056 -2.655 10.743 1.00 0.00 O ATOM 1137 CB MET A 74 -6.627 -2.269 7.910 1.00 0.00 C ATOM 1138 CG MET A 74 -6.457 -0.786 7.542 1.00 0.00 C ATOM 1139 SD MET A 74 -7.976 0.053 7.034 1.00 0.00 S ATOM 1140 CE MET A 74 -8.842 -0.132 8.605 1.00 0.00 C ATOM 0 H MET A 74 -6.151 -4.710 8.487 1.00 0.00 H new ATOM 0 HA MET A 74 -4.524 -2.389 7.838 1.00 0.00 H new ATOM 0 HB2 MET A 74 -6.911 -2.846 7.030 1.00 0.00 H new ATOM 0 HB3 MET A 74 -7.428 -2.387 8.640 1.00 0.00 H new ATOM 0 HG2 MET A 74 -6.038 -0.260 8.400 1.00 0.00 H new ATOM 0 HG3 MET A 74 -5.729 -0.709 6.734 1.00 0.00 H new ATOM 0 HE1 MET A 74 -9.553 0.685 8.727 1.00 0.00 H new ATOM 0 HE2 MET A 74 -9.376 -1.082 8.616 1.00 0.00 H new ATOM 0 HE3 MET A 74 -8.121 -0.111 9.422 1.00 0.00 H new ATOM 1150 N PHE A 75 -4.028 -1.766 10.290 1.00 0.00 N ATOM 1151 CA PHE A 75 -3.661 -1.508 11.679 1.00 0.00 C ATOM 1152 C PHE A 75 -3.706 -0.020 12.034 1.00 0.00 C ATOM 1153 O PHE A 75 -3.720 0.321 13.220 1.00 0.00 O ATOM 1154 CB PHE A 75 -2.285 -2.132 11.968 1.00 0.00 C ATOM 1155 CG PHE A 75 -1.093 -1.416 11.350 1.00 0.00 C ATOM 1156 CD1 PHE A 75 -0.850 -1.476 9.960 1.00 0.00 C ATOM 1157 CD2 PHE A 75 -0.205 -0.700 12.175 1.00 0.00 C ATOM 1158 CE1 PHE A 75 0.260 -0.816 9.404 1.00 0.00 C ATOM 1159 CE2 PHE A 75 0.911 -0.052 11.616 1.00 0.00 C ATOM 1160 CZ PHE A 75 1.141 -0.102 10.232 1.00 0.00 C ATOM 0 H PHE A 75 -3.332 -1.448 9.616 1.00 0.00 H new ATOM 0 HA PHE A 75 -4.404 -1.980 12.322 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.143 -2.169 13.048 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.292 -3.162 11.612 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -1.520 -2.032 9.321 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.381 -0.648 13.239 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.435 -0.858 8.339 1.00 0.00 H new ATOM 0 HE2 PHE A 75 1.595 0.487 12.255 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.993 0.407 9.806 1.00 0.00 H new ATOM 1170 N LYS A 76 -3.764 0.858 11.031 1.00 0.00 N ATOM 1171 CA LYS A 76 -3.821 2.308 11.139 1.00 0.00 C ATOM 1172 C LYS A 76 -4.580 2.778 9.895 1.00 0.00 C ATOM 1173 O LYS A 76 -4.553 2.105 8.860 1.00 0.00 O ATOM 1174 CB LYS A 76 -2.379 2.850 11.263 1.00 0.00 C ATOM 1175 CG LYS A 76 -2.249 4.382 11.236 1.00 0.00 C ATOM 1176 CD LYS A 76 -0.775 4.818 11.235 1.00 0.00 C ATOM 1177 CE LYS A 76 -0.589 6.270 10.774 1.00 0.00 C ATOM 1178 NZ LYS A 76 -1.086 7.267 11.743 1.00 0.00 N ATOM 0 H LYS A 76 -3.773 0.549 10.059 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.342 2.679 12.021 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.949 2.482 12.194 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.782 2.437 10.450 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.747 4.776 10.350 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.756 4.807 12.102 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.366 4.704 12.239 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.205 4.157 10.582 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.470 6.451 10.590 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.106 6.410 9.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.929 8.224 11.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.103 7.120 11.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.576 7.160 12.643 1.00 0.00 H new ATOM 1192 N SER A 77 -5.271 3.909 9.968 1.00 0.00 N ATOM 1193 CA SER A 77 -6.085 4.425 8.880 1.00 0.00 C ATOM 1194 C SER A 77 -6.330 5.909 9.132 1.00 0.00 C ATOM 1195 O SER A 77 -7.020 6.182 10.118 1.00 0.00 O ATOM 1196 CB SER A 77 -7.412 3.651 8.831 1.00 0.00 C ATOM 1197 OG SER A 77 -8.055 3.593 10.095 1.00 0.00 O ATOM 0 H SER A 77 -5.280 4.501 10.799 1.00 0.00 H new ATOM 0 HA SER A 77 -5.581 4.301 7.922 1.00 0.00 H new ATOM 0 HB2 SER A 77 -8.078 4.124 8.110 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.225 2.638 8.475 1.00 0.00 H new ATOM 0 HG SER A 77 -7.950 4.452 10.555 1.00 0.00 H new ATOM 1203 N ASP A 78 -5.863 6.863 8.311 1.00 0.00 N ATOM 1204 CA ASP A 78 -6.168 8.273 8.597 1.00 0.00 C ATOM 1205 C ASP A 78 -7.204 8.810 7.627 1.00 0.00 C ATOM 1206 O ASP A 78 -7.929 8.011 7.028 1.00 0.00 O ATOM 1207 CB ASP A 78 -4.904 9.124 8.747 1.00 0.00 C ATOM 1208 CG ASP A 78 -5.075 10.182 9.844 1.00 0.00 C ATOM 1209 OD1 ASP A 78 -6.226 10.472 10.263 1.00 0.00 O ATOM 1210 OD2 ASP A 78 -4.043 10.655 10.359 1.00 0.00 O ATOM 0 H ASP A 78 -5.297 6.696 7.479 1.00 0.00 H new ATOM 0 HA ASP A 78 -6.636 8.338 9.579 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -4.056 8.482 8.986 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -4.677 9.612 7.799 1.00 0.00 H new ATOM 1215 N ALA A 79 -7.406 10.119 7.572 1.00 0.00 N ATOM 1216 CA ALA A 79 -8.311 10.771 6.644 1.00 0.00 C ATOM 1217 C ALA A 79 -7.513 11.666 5.703 1.00 0.00 C ATOM 1218 O ALA A 79 -6.469 12.215 6.062 1.00 0.00 O ATOM 1219 CB ALA A 79 -9.353 11.555 7.436 1.00 0.00 C ATOM 0 H ALA A 79 -6.929 10.774 8.192 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.835 10.036 6.033 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.038 12.049 6.747 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.912 10.873 8.077 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.855 12.304 8.051 1.00 0.00 H new ATOM 1225 N ILE A 80 -8.043 11.846 4.497 1.00 0.00 N ATOM 1226 CA ILE A 80 -7.416 12.594 3.428 1.00 0.00 C ATOM 1227 C ILE A 80 -8.387 13.722 3.110 1.00 0.00 C ATOM 1228 O ILE A 80 -9.389 13.517 2.421 1.00 0.00 O ATOM 1229 CB ILE A 80 -7.113 11.685 2.220 1.00 0.00 C ATOM 1230 CG1 ILE A 80 -6.272 10.445 2.610 1.00 0.00 C ATOM 1231 CG2 ILE A 80 -6.412 12.513 1.132 1.00 0.00 C ATOM 1232 CD1 ILE A 80 -6.122 9.405 1.493 1.00 0.00 C ATOM 0 H ILE A 80 -8.950 11.460 4.235 1.00 0.00 H new ATOM 0 HA ILE A 80 -6.444 13.000 3.710 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.057 11.300 1.835 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -5.280 10.776 2.917 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -6.731 9.967 3.475 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.194 11.877 0.274 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.062 13.331 0.822 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.481 12.920 1.527 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.519 8.571 1.851 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -7.107 9.042 1.200 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.633 9.863 0.633 1.00 0.00 H new ATOM 1244 N LEU A 81 -8.101 14.906 3.646 1.00 0.00 N ATOM 1245 CA LEU A 81 -8.864 16.102 3.327 1.00 0.00 C ATOM 1246 C LEU A 81 -8.379 16.647 1.990 1.00 0.00 C ATOM 1247 O LEU A 81 -7.183 16.888 1.806 1.00 0.00 O ATOM 1248 CB LEU A 81 -8.742 17.193 4.403 1.00 0.00 C ATOM 1249 CG LEU A 81 -9.150 16.772 5.827 1.00 0.00 C ATOM 1250 CD1 LEU A 81 -9.145 18.022 6.713 1.00 0.00 C ATOM 1251 CD2 LEU A 81 -10.535 16.118 5.894 1.00 0.00 C ATOM 0 H LEU A 81 -7.340 15.059 4.308 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.916 15.822 3.280 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.709 17.540 4.428 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.356 18.043 4.105 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.434 16.025 6.168 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.431 17.749 7.729 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.146 18.457 6.722 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.854 18.750 6.319 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.759 15.846 6.925 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.287 16.820 5.532 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.545 15.223 5.272 1.00 0.00 H new ATOM 1263 N GLY A 82 -9.306 16.879 1.072 1.00 0.00 N ATOM 1264 CA GLY A 82 -9.141 17.759 -0.071 1.00 0.00 C ATOM 1265 C GLY A 82 -9.653 19.159 0.284 1.00 0.00 C ATOM 1266 O GLY A 82 -10.329 19.345 1.296 1.00 0.00 O ATOM 0 H GLY A 82 -10.227 16.442 1.106 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.091 17.806 -0.358 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.689 17.366 -0.928 1.00 0.00 H new ATOM 1270 N GLN A 83 -9.386 20.104 -0.607 1.00 0.00 N ATOM 1271 CA GLN A 83 -9.343 21.569 -0.506 1.00 0.00 C ATOM 1272 C GLN A 83 -10.463 22.312 0.235 1.00 0.00 C ATOM 1273 O GLN A 83 -10.300 23.509 0.516 1.00 0.00 O ATOM 1274 CB GLN A 83 -9.260 22.119 -1.939 1.00 0.00 C ATOM 1275 CG GLN A 83 -10.408 21.547 -2.812 1.00 0.00 C ATOM 1276 CD GLN A 83 -10.579 22.216 -4.172 1.00 0.00 C ATOM 1277 OE1 GLN A 83 -10.615 21.540 -5.197 1.00 0.00 O ATOM 1278 NE2 GLN A 83 -10.767 23.519 -4.232 1.00 0.00 N ATOM 0 H GLN A 83 -9.160 19.824 -1.561 1.00 0.00 H new ATOM 0 HA GLN A 83 -8.478 21.759 0.130 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -9.318 23.207 -1.920 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -8.297 21.859 -2.379 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -10.230 20.483 -2.967 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -11.343 21.637 -2.260 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -10.737 24.078 -3.380 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -10.943 23.968 -5.131 1.00 0.00 H new ATOM 1287 N ASN A 84 -11.593 21.683 0.529 1.00 0.00 N ATOM 1288 CA ASN A 84 -12.704 22.281 1.275 1.00 0.00 C ATOM 1289 C ASN A 84 -13.158 21.283 2.338 1.00 0.00 C ATOM 1290 O ASN A 84 -14.338 20.937 2.413 1.00 0.00 O ATOM 1291 CB ASN A 84 -13.845 22.724 0.341 1.00 0.00 C ATOM 1292 CG ASN A 84 -13.377 23.652 -0.770 1.00 0.00 C ATOM 1293 OD1 ASN A 84 -12.936 24.774 -0.539 1.00 0.00 O ATOM 1294 ND2 ASN A 84 -13.412 23.188 -2.009 1.00 0.00 N ATOM 0 H ASN A 84 -11.772 20.718 0.250 1.00 0.00 H new ATOM 0 HA ASN A 84 -12.373 23.194 1.770 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -14.309 21.842 -0.101 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -14.613 23.227 0.928 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -13.071 23.764 -2.779 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -13.780 22.255 -2.194 1.00 0.00 H new ATOM 1301 N LYS A 85 -12.198 20.753 3.107 1.00 0.00 N ATOM 1302 CA LYS A 85 -12.389 19.746 4.159 1.00 0.00 C ATOM 1303 C LYS A 85 -13.158 18.523 3.640 1.00 0.00 C ATOM 1304 O LYS A 85 -13.865 17.851 4.393 1.00 0.00 O ATOM 1305 CB LYS A 85 -13.032 20.413 5.393 1.00 0.00 C ATOM 1306 CG LYS A 85 -12.203 21.607 5.902 1.00 0.00 C ATOM 1307 CD LYS A 85 -12.894 22.353 7.045 1.00 0.00 C ATOM 1308 CE LYS A 85 -12.145 23.666 7.298 1.00 0.00 C ATOM 1309 NZ LYS A 85 -12.739 24.449 8.397 1.00 0.00 N ATOM 0 H LYS A 85 -11.221 21.028 3.008 1.00 0.00 H new ATOM 0 HA LYS A 85 -11.422 19.352 4.472 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -14.037 20.751 5.140 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -13.135 19.677 6.190 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -11.229 21.252 6.240 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -12.022 22.298 5.078 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -13.934 22.554 6.790 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -12.899 21.741 7.947 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -11.103 23.447 7.533 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -12.148 24.264 6.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -12.198 25.327 8.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -13.725 24.682 8.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -12.713 23.891 9.274 1.00 0.00 H new ATOM 1323 N VAL A 86 -13.042 18.250 2.341 1.00 0.00 N ATOM 1324 CA VAL A 86 -13.743 17.177 1.659 1.00 0.00 C ATOM 1325 C VAL A 86 -12.985 15.904 2.007 1.00 0.00 C ATOM 1326 O VAL A 86 -11.788 15.834 1.732 1.00 0.00 O ATOM 1327 CB VAL A 86 -13.771 17.437 0.138 1.00 0.00 C ATOM 1328 CG1 VAL A 86 -14.598 16.360 -0.577 1.00 0.00 C ATOM 1329 CG2 VAL A 86 -14.343 18.811 -0.225 1.00 0.00 C ATOM 0 H VAL A 86 -12.438 18.789 1.721 1.00 0.00 H new ATOM 0 HA VAL A 86 -14.785 17.100 1.970 1.00 0.00 H new ATOM 0 HB VAL A 86 -12.732 17.406 -0.190 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -14.607 16.560 -1.649 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -14.156 15.381 -0.394 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -15.620 16.374 -0.197 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -14.336 18.933 -1.308 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -15.366 18.888 0.142 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -13.734 19.591 0.232 1.00 0.00 H new ATOM 1339 N VAL A 87 -13.622 14.914 2.623 1.00 0.00 N ATOM 1340 CA VAL A 87 -12.985 13.635 2.902 1.00 0.00 C ATOM 1341 C VAL A 87 -12.977 12.851 1.586 1.00 0.00 C ATOM 1342 O VAL A 87 -13.900 12.095 1.274 1.00 0.00 O ATOM 1343 CB VAL A 87 -13.666 12.918 4.083 1.00 0.00 C ATOM 1344 CG1 VAL A 87 -12.746 11.800 4.581 1.00 0.00 C ATOM 1345 CG2 VAL A 87 -13.900 13.861 5.275 1.00 0.00 C ATOM 0 H VAL A 87 -14.589 14.976 2.941 1.00 0.00 H new ATOM 0 HA VAL A 87 -11.954 13.751 3.237 1.00 0.00 H new ATOM 0 HB VAL A 87 -14.624 12.543 3.724 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -13.219 11.285 5.418 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -12.566 11.090 3.774 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -11.798 12.227 4.907 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -14.382 13.312 6.084 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -12.944 14.253 5.622 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -14.540 14.687 4.965 1.00 0.00 H new ATOM 1355 N ILE A 88 -11.964 13.106 0.758 1.00 0.00 N ATOM 1356 CA ILE A 88 -11.809 12.480 -0.550 1.00 0.00 C ATOM 1357 C ILE A 88 -11.293 11.044 -0.421 1.00 0.00 C ATOM 1358 O ILE A 88 -11.437 10.252 -1.352 1.00 0.00 O ATOM 1359 CB ILE A 88 -10.902 13.344 -1.459 1.00 0.00 C ATOM 1360 CG1 ILE A 88 -9.528 13.663 -0.829 1.00 0.00 C ATOM 1361 CG2 ILE A 88 -11.637 14.651 -1.793 1.00 0.00 C ATOM 1362 CD1 ILE A 88 -8.532 14.266 -1.824 1.00 0.00 C ATOM 0 H ILE A 88 -11.218 13.764 0.983 1.00 0.00 H new ATOM 0 HA ILE A 88 -12.789 12.420 -1.023 1.00 0.00 H new ATOM 0 HB ILE A 88 -10.699 12.766 -2.360 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -9.668 14.357 0.000 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -9.106 12.749 -0.412 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -11.008 15.269 -2.434 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -12.568 14.422 -2.311 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -11.857 15.190 -0.872 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -7.588 14.466 -1.318 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -8.364 13.564 -2.641 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -8.935 15.197 -2.223 1.00 0.00 H new ATOM 1374 N GLY A 89 -10.701 10.694 0.717 1.00 0.00 N ATOM 1375 CA GLY A 89 -10.162 9.369 0.960 1.00 0.00 C ATOM 1376 C GLY A 89 -9.734 9.202 2.410 1.00 0.00 C ATOM 1377 O GLY A 89 -9.917 10.102 3.232 1.00 0.00 O ATOM 0 H GLY A 89 -10.583 11.333 1.503 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -10.912 8.618 0.712 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -9.308 9.196 0.305 1.00 0.00 H new ATOM 1381 N TRP A 90 -9.144 8.046 2.704 1.00 0.00 N ATOM 1382 CA TRP A 90 -8.634 7.655 4.009 1.00 0.00 C ATOM 1383 C TRP A 90 -7.410 6.826 3.734 1.00 0.00 C ATOM 1384 O TRP A 90 -7.540 5.831 3.024 1.00 0.00 O ATOM 1385 CB TRP A 90 -9.652 6.793 4.765 1.00 0.00 C ATOM 1386 CG TRP A 90 -10.956 7.455 4.990 1.00 0.00 C ATOM 1387 CD1 TRP A 90 -11.283 8.247 6.030 1.00 0.00 C ATOM 1388 CD2 TRP A 90 -12.040 7.544 4.037 1.00 0.00 C ATOM 1389 NE1 TRP A 90 -12.553 8.748 5.820 1.00 0.00 N ATOM 1390 CE2 TRP A 90 -13.029 8.417 4.566 1.00 0.00 C ATOM 1391 CE3 TRP A 90 -12.208 7.057 2.727 1.00 0.00 C ATOM 1392 CZ2 TRP A 90 -14.135 8.822 3.807 1.00 0.00 C ATOM 1393 CZ3 TRP A 90 -13.305 7.468 1.955 1.00 0.00 C ATOM 1394 CH2 TRP A 90 -14.250 8.368 2.482 1.00 0.00 C ATOM 0 H TRP A 90 -9.003 7.322 2.000 1.00 0.00 H new ATOM 0 HA TRP A 90 -8.425 8.534 4.619 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -9.816 5.871 4.207 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -9.229 6.511 5.729 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -10.657 8.455 6.885 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -13.075 9.294 6.505 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -11.490 6.364 2.315 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -14.886 9.471 4.233 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -13.425 7.091 0.950 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -15.067 8.711 1.865 1.00 0.00 H new ATOM 1405 N ASP A 91 -6.259 7.240 4.246 1.00 0.00 N ATOM 1406 CA ASP A 91 -4.988 6.559 4.096 1.00 0.00 C ATOM 1407 C ASP A 91 -5.019 5.321 4.956 1.00 0.00 C ATOM 1408 O ASP A 91 -4.802 5.388 6.159 1.00 0.00 O ATOM 1409 CB ASP A 91 -3.792 7.455 4.480 1.00 0.00 C ATOM 1410 CG ASP A 91 -3.934 8.488 5.576 1.00 0.00 C ATOM 1411 OD1 ASP A 91 -4.936 9.236 5.542 1.00 0.00 O ATOM 1412 OD2 ASP A 91 -2.974 8.609 6.375 1.00 0.00 O ATOM 0 H ASP A 91 -6.186 8.094 4.799 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.849 6.298 3.047 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -2.972 6.795 4.763 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -3.481 7.982 3.578 1.00 0.00 H new ATOM 1417 N LYS A 92 -5.356 4.191 4.350 1.00 0.00 N ATOM 1418 CA LYS A 92 -5.343 2.895 5.000 1.00 0.00 C ATOM 1419 C LYS A 92 -3.900 2.389 5.001 1.00 0.00 C ATOM 1420 O LYS A 92 -3.262 2.372 3.945 1.00 0.00 O ATOM 1421 CB LYS A 92 -6.291 1.933 4.268 1.00 0.00 C ATOM 1422 CG LYS A 92 -7.748 2.392 4.051 1.00 0.00 C ATOM 1423 CD LYS A 92 -8.330 3.223 5.202 1.00 0.00 C ATOM 1424 CE LYS A 92 -9.855 3.119 5.271 1.00 0.00 C ATOM 1425 NZ LYS A 92 -10.449 3.497 6.570 1.00 0.00 N ATOM 0 H LYS A 92 -5.651 4.152 3.374 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.697 2.965 6.029 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -5.859 1.714 3.292 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -6.313 0.996 4.824 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -7.798 2.979 3.134 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -8.374 1.513 3.901 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -7.901 2.886 6.146 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -8.043 4.267 5.076 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -10.283 3.753 4.495 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -10.145 2.094 5.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -11.483 3.395 6.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -10.075 2.877 7.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -10.208 4.485 6.787 1.00 0.00 H new ATOM 1439 N TYR A 93 -3.392 2.004 6.171 1.00 0.00 N ATOM 1440 CA TYR A 93 -2.058 1.451 6.341 1.00 0.00 C ATOM 1441 C TYR A 93 -2.208 -0.039 6.583 1.00 0.00 C ATOM 1442 O TYR A 93 -3.094 -0.465 7.335 1.00 0.00 O ATOM 1443 CB TYR A 93 -1.352 2.070 7.550 1.00 0.00 C ATOM 1444 CG TYR A 93 -1.135 3.566 7.481 1.00 0.00 C ATOM 1445 CD1 TYR A 93 -2.212 4.451 7.668 1.00 0.00 C ATOM 1446 CD2 TYR A 93 0.144 4.081 7.218 1.00 0.00 C ATOM 1447 CE1 TYR A 93 -2.027 5.835 7.563 1.00 0.00 C ATOM 1448 CE2 TYR A 93 0.338 5.468 7.121 1.00 0.00 C ATOM 1449 CZ TYR A 93 -0.752 6.354 7.265 1.00 0.00 C ATOM 1450 OH TYR A 93 -0.588 7.694 7.097 1.00 0.00 O ATOM 0 H TYR A 93 -3.913 2.072 7.045 1.00 0.00 H new ATOM 0 HA TYR A 93 -1.465 1.662 5.451 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -1.935 1.846 8.443 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -0.383 1.585 7.671 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -3.192 4.059 7.895 1.00 0.00 H new ATOM 0 HD2 TYR A 93 0.980 3.409 7.090 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -2.862 6.504 7.710 1.00 0.00 H new ATOM 0 HE2 TYR A 93 1.327 5.860 6.935 1.00 0.00 H new ATOM 0 HH TYR A 93 -1.453 8.144 7.192 1.00 0.00 H new ATOM 1460 N PHE A 94 -1.315 -0.825 5.992 1.00 0.00 N ATOM 1461 CA PHE A 94 -1.386 -2.273 6.045 1.00 0.00 C ATOM 1462 C PHE A 94 -0.043 -2.809 6.489 1.00 0.00 C ATOM 1463 O PHE A 94 0.993 -2.434 5.936 1.00 0.00 O ATOM 1464 CB PHE A 94 -1.809 -2.827 4.684 1.00 0.00 C ATOM 1465 CG PHE A 94 -3.151 -2.301 4.243 1.00 0.00 C ATOM 1466 CD1 PHE A 94 -4.333 -2.837 4.786 1.00 0.00 C ATOM 1467 CD2 PHE A 94 -3.206 -1.214 3.355 1.00 0.00 C ATOM 1468 CE1 PHE A 94 -5.575 -2.287 4.428 1.00 0.00 C ATOM 1469 CE2 PHE A 94 -4.444 -0.666 3.001 1.00 0.00 C ATOM 1470 CZ PHE A 94 -5.628 -1.203 3.538 1.00 0.00 C ATOM 0 H PHE A 94 -0.520 -0.470 5.461 1.00 0.00 H new ATOM 0 HA PHE A 94 -2.138 -2.594 6.766 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -1.057 -2.567 3.939 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -1.846 -3.915 4.733 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.286 -3.667 5.475 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -2.295 -0.802 2.946 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -6.487 -2.697 4.837 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -4.490 0.168 2.316 1.00 0.00 H new ATOM 0 HZ PHE A 94 -6.583 -0.779 3.264 1.00 0.00 H new ATOM 1480 N GLU A 95 -0.082 -3.658 7.510 1.00 0.00 N ATOM 1481 CA GLU A 95 1.021 -4.515 7.903 1.00 0.00 C ATOM 1482 C GLU A 95 0.971 -5.704 6.941 1.00 0.00 C ATOM 1483 O GLU A 95 -0.104 -6.295 6.793 1.00 0.00 O ATOM 1484 CB GLU A 95 0.784 -4.906 9.372 1.00 0.00 C ATOM 1485 CG GLU A 95 1.960 -5.617 10.050 1.00 0.00 C ATOM 1486 CD GLU A 95 1.981 -5.352 11.560 1.00 0.00 C ATOM 1487 OE1 GLU A 95 0.966 -5.610 12.250 1.00 0.00 O ATOM 1488 OE2 GLU A 95 2.994 -4.808 12.062 1.00 0.00 O ATOM 0 H GLU A 95 -0.906 -3.769 8.101 1.00 0.00 H new ATOM 0 HA GLU A 95 2.008 -4.056 7.845 1.00 0.00 H new ATOM 0 HB2 GLU A 95 0.548 -4.005 9.939 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -0.091 -5.554 9.423 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.892 -6.690 9.869 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.896 -5.278 9.607 1.00 0.00 H new ATOM 1495 N ILE A 96 2.067 -5.999 6.233 1.00 0.00 N ATOM 1496 CA ILE A 96 2.197 -7.158 5.349 1.00 0.00 C ATOM 1497 C ILE A 96 3.529 -7.858 5.647 1.00 0.00 C ATOM 1498 O ILE A 96 4.537 -7.175 5.846 1.00 0.00 O ATOM 1499 CB ILE A 96 2.085 -6.863 3.837 1.00 0.00 C ATOM 1500 CG1 ILE A 96 1.962 -5.405 3.432 1.00 0.00 C ATOM 1501 CG2 ILE A 96 1.007 -7.734 3.158 1.00 0.00 C ATOM 1502 CD1 ILE A 96 0.578 -4.820 3.549 1.00 0.00 C ATOM 0 H ILE A 96 2.908 -5.423 6.261 1.00 0.00 H new ATOM 0 HA ILE A 96 1.341 -7.796 5.568 1.00 0.00 H new ATOM 0 HB ILE A 96 3.067 -7.148 3.459 1.00 0.00 H new ATOM 0 HG12 ILE A 96 2.641 -4.815 4.047 1.00 0.00 H new ATOM 0 HG13 ILE A 96 2.296 -5.302 2.400 1.00 0.00 H new ATOM 0 HG21 ILE A 96 0.962 -7.494 2.096 1.00 0.00 H new ATOM 0 HG22 ILE A 96 1.259 -8.787 3.282 1.00 0.00 H new ATOM 0 HG23 ILE A 96 0.038 -7.537 3.616 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.597 -3.776 3.237 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -0.108 -5.377 2.911 1.00 0.00 H new ATOM 0 HD13 ILE A 96 0.243 -4.883 4.584 1.00 0.00 H new ATOM 1514 N PRO A 97 3.602 -9.195 5.624 1.00 0.00 N ATOM 1515 CA PRO A 97 4.859 -9.891 5.391 1.00 0.00 C ATOM 1516 C PRO A 97 5.334 -9.585 3.965 1.00 0.00 C ATOM 1517 O PRO A 97 4.515 -9.441 3.057 1.00 0.00 O ATOM 1518 CB PRO A 97 4.528 -11.377 5.526 1.00 0.00 C ATOM 1519 CG PRO A 97 3.048 -11.445 5.168 1.00 0.00 C ATOM 1520 CD PRO A 97 2.489 -10.120 5.651 1.00 0.00 C ATOM 0 HA PRO A 97 5.644 -9.591 6.085 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.132 -11.986 4.853 1.00 0.00 H new ATOM 0 HB3 PRO A 97 4.714 -11.739 6.537 1.00 0.00 H new ATOM 0 HG2 PRO A 97 2.903 -11.571 4.095 1.00 0.00 H new ATOM 0 HG3 PRO A 97 2.558 -12.287 5.657 1.00 0.00 H new ATOM 0 HD2 PRO A 97 1.679 -9.778 5.006 1.00 0.00 H new ATOM 0 HD3 PRO A 97 2.079 -10.211 6.657 1.00 0.00 H new ATOM 1528 N MET A 98 6.645 -9.559 3.735 1.00 0.00 N ATOM 1529 CA MET A 98 7.194 -9.646 2.382 1.00 0.00 C ATOM 1530 C MET A 98 7.127 -11.085 1.897 1.00 0.00 C ATOM 1531 O MET A 98 6.606 -11.356 0.813 1.00 0.00 O ATOM 1532 CB MET A 98 8.657 -9.194 2.310 1.00 0.00 C ATOM 1533 CG MET A 98 8.814 -7.691 2.448 1.00 0.00 C ATOM 1534 SD MET A 98 10.537 -7.184 2.327 1.00 0.00 S ATOM 1535 CE MET A 98 10.354 -5.576 3.119 1.00 0.00 C ATOM 0 H MET A 98 7.349 -9.478 4.469 1.00 0.00 H new ATOM 0 HA MET A 98 6.596 -8.983 1.757 1.00 0.00 H new ATOM 0 HB2 MET A 98 9.225 -9.688 3.098 1.00 0.00 H new ATOM 0 HB3 MET A 98 9.085 -9.514 1.360 1.00 0.00 H new ATOM 0 HG2 MET A 98 8.233 -7.192 1.672 1.00 0.00 H new ATOM 0 HG3 MET A 98 8.407 -7.370 3.407 1.00 0.00 H new ATOM 0 HE1 MET A 98 11.314 -5.060 3.121 1.00 0.00 H new ATOM 0 HE2 MET A 98 9.623 -4.981 2.571 1.00 0.00 H new ATOM 0 HE3 MET A 98 10.014 -5.713 4.145 1.00 0.00 H new ATOM 1545 N ASP A 99 7.718 -12.005 2.658 1.00 0.00 N ATOM 1546 CA ASP A 99 8.028 -13.336 2.151 1.00 0.00 C ATOM 1547 C ASP A 99 6.777 -14.187 1.920 1.00 0.00 C ATOM 1548 O ASP A 99 6.814 -15.076 1.080 1.00 0.00 O ATOM 1549 CB ASP A 99 9.069 -14.003 3.058 1.00 0.00 C ATOM 1550 CG ASP A 99 9.421 -15.415 2.602 1.00 0.00 C ATOM 1551 OD1 ASP A 99 9.921 -15.580 1.467 1.00 0.00 O ATOM 1552 OD2 ASP A 99 9.199 -16.355 3.402 1.00 0.00 O ATOM 0 H ASP A 99 7.991 -11.850 3.629 1.00 0.00 H new ATOM 0 HA ASP A 99 8.470 -13.238 1.159 1.00 0.00 H new ATOM 0 HB2 ASP A 99 9.973 -13.395 3.077 1.00 0.00 H new ATOM 0 HB3 ASP A 99 8.688 -14.039 4.079 1.00 0.00 H new ATOM 1557 N ALA A 100 5.636 -13.888 2.556 1.00 0.00 N ATOM 1558 CA ALA A 100 4.373 -14.594 2.289 1.00 0.00 C ATOM 1559 C ALA A 100 3.639 -14.099 1.021 1.00 0.00 C ATOM 1560 O ALA A 100 2.575 -14.626 0.678 1.00 0.00 O ATOM 1561 CB ALA A 100 3.442 -14.507 3.498 1.00 0.00 C ATOM 0 H ALA A 100 5.561 -13.157 3.264 1.00 0.00 H new ATOM 0 HA ALA A 100 4.646 -15.633 2.104 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.513 -15.035 3.281 1.00 0.00 H new ATOM 0 HB2 ALA A 100 3.925 -14.962 4.363 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.223 -13.461 3.714 1.00 0.00 H new ATOM 1567 N LEU A 101 4.147 -13.076 0.325 1.00 0.00 N ATOM 1568 CA LEU A 101 3.480 -12.522 -0.857 1.00 0.00 C ATOM 1569 C LEU A 101 3.639 -13.433 -2.064 1.00 0.00 C ATOM 1570 O LEU A 101 4.547 -14.255 -2.128 1.00 0.00 O ATOM 1571 CB LEU A 101 4.054 -11.154 -1.230 1.00 0.00 C ATOM 1572 CG LEU A 101 3.723 -10.077 -0.192 1.00 0.00 C ATOM 1573 CD1 LEU A 101 4.628 -8.890 -0.474 1.00 0.00 C ATOM 1574 CD2 LEU A 101 2.252 -9.637 -0.247 1.00 0.00 C ATOM 0 H LEU A 101 5.024 -12.613 0.563 1.00 0.00 H new ATOM 0 HA LEU A 101 2.426 -12.429 -0.596 1.00 0.00 H new ATOM 0 HB2 LEU A 101 5.136 -11.234 -1.334 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.662 -10.851 -2.201 1.00 0.00 H new ATOM 0 HG LEU A 101 3.885 -10.482 0.807 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.424 -8.097 0.246 1.00 0.00 H new ATOM 0 HD12 LEU A 101 5.670 -9.198 -0.388 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.441 -8.521 -1.482 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.072 -8.873 0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 101 2.031 -9.230 -1.234 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.608 -10.495 -0.056 1.00 0.00 H new ATOM 1586 N GLN A 102 2.769 -13.223 -3.052 1.00 0.00 N ATOM 1587 CA GLN A 102 2.681 -14.018 -4.263 1.00 0.00 C ATOM 1588 C GLN A 102 4.008 -14.110 -5.017 1.00 0.00 C ATOM 1589 O GLN A 102 4.245 -15.135 -5.660 1.00 0.00 O ATOM 1590 CB GLN A 102 1.566 -13.419 -5.132 1.00 0.00 C ATOM 1591 CG GLN A 102 1.164 -14.379 -6.250 1.00 0.00 C ATOM 1592 CD GLN A 102 -0.040 -13.889 -7.040 1.00 0.00 C ATOM 1593 OE1 GLN A 102 -1.172 -13.916 -6.565 1.00 0.00 O ATOM 1594 NE2 GLN A 102 0.176 -13.421 -8.259 1.00 0.00 N ATOM 0 H GLN A 102 2.085 -12.467 -3.024 1.00 0.00 H new ATOM 0 HA GLN A 102 2.444 -15.049 -3.999 1.00 0.00 H new ATOM 0 HB2 GLN A 102 0.698 -13.195 -4.512 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.903 -12.476 -5.562 1.00 0.00 H new ATOM 0 HG2 GLN A 102 2.007 -14.515 -6.927 1.00 0.00 H new ATOM 0 HG3 GLN A 102 0.939 -15.356 -5.821 1.00 0.00 H new ATOM 0 HE21 GLN A 102 1.122 -13.405 -8.639 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -0.604 -13.076 -8.818 1.00 0.00 H new ATOM 1603 N ASP A 103 4.824 -13.053 -4.973 1.00 0.00 N ATOM 1604 CA ASP A 103 6.079 -12.908 -5.700 1.00 0.00 C ATOM 1605 C ASP A 103 6.907 -11.795 -5.034 1.00 0.00 C ATOM 1606 O ASP A 103 6.490 -11.238 -4.011 1.00 0.00 O ATOM 1607 CB ASP A 103 5.750 -12.563 -7.158 1.00 0.00 C ATOM 1608 CG ASP A 103 6.931 -12.723 -8.107 1.00 0.00 C ATOM 1609 OD1 ASP A 103 7.630 -11.718 -8.341 1.00 0.00 O ATOM 1610 OD2 ASP A 103 7.064 -13.807 -8.718 1.00 0.00 O ATOM 0 H ASP A 103 4.612 -12.237 -4.399 1.00 0.00 H new ATOM 0 HA ASP A 103 6.662 -13.829 -5.679 1.00 0.00 H new ATOM 0 HB2 ASP A 103 4.934 -13.200 -7.498 1.00 0.00 H new ATOM 0 HB3 ASP A 103 5.393 -11.534 -7.207 1.00 0.00 H new ATOM 1615 N ASN A 104 8.048 -11.417 -5.610 1.00 0.00 N ATOM 1616 CA ASN A 104 8.864 -10.253 -5.270 1.00 0.00 C ATOM 1617 C ASN A 104 8.262 -8.981 -5.892 1.00 0.00 C ATOM 1618 O ASN A 104 8.980 -8.069 -6.297 1.00 0.00 O ATOM 1619 CB ASN A 104 10.315 -10.481 -5.738 1.00 0.00 C ATOM 1620 CG ASN A 104 11.011 -11.608 -4.985 1.00 0.00 C ATOM 1621 OD1 ASN A 104 10.505 -12.723 -4.896 1.00 0.00 O ATOM 1622 ND2 ASN A 104 12.173 -11.346 -4.421 1.00 0.00 N ATOM 0 H ASN A 104 8.453 -11.952 -6.378 1.00 0.00 H new ATOM 0 HA ASN A 104 8.874 -10.118 -4.188 1.00 0.00 H new ATOM 0 HB2 ASN A 104 10.316 -10.708 -6.804 1.00 0.00 H new ATOM 0 HB3 ASN A 104 10.882 -9.559 -5.608 1.00 0.00 H new ATOM 0 HD21 ASN A 104 12.664 -12.074 -3.902 1.00 0.00 H new ATOM 0 HD22 ASN A 104 12.581 -10.415 -4.503 1.00 0.00 H new ATOM 1629 N SER A 105 6.934 -8.883 -5.973 1.00 0.00 N ATOM 1630 CA SER A 105 6.267 -7.607 -6.161 1.00 0.00 C ATOM 1631 C SER A 105 5.111 -7.537 -5.172 1.00 0.00 C ATOM 1632 O SER A 105 4.585 -8.556 -4.718 1.00 0.00 O ATOM 1633 CB SER A 105 5.868 -7.387 -7.633 1.00 0.00 C ATOM 1634 OG SER A 105 5.018 -8.412 -8.118 1.00 0.00 O ATOM 0 H SER A 105 6.302 -9.681 -5.910 1.00 0.00 H new ATOM 0 HA SER A 105 6.940 -6.776 -5.949 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.366 -6.425 -7.731 1.00 0.00 H new ATOM 0 HB3 SER A 105 6.767 -7.342 -8.248 1.00 0.00 H new ATOM 0 HG SER A 105 5.445 -8.858 -8.879 1.00 0.00 H new ATOM 1640 N ILE A 106 4.721 -6.316 -4.841 1.00 0.00 N ATOM 1641 CA ILE A 106 3.583 -5.993 -4.002 1.00 0.00 C ATOM 1642 C ILE A 106 2.472 -5.472 -4.930 1.00 0.00 C ATOM 1643 O ILE A 106 2.643 -5.448 -6.155 1.00 0.00 O ATOM 1644 CB ILE A 106 4.077 -5.098 -2.831 1.00 0.00 C ATOM 1645 CG1 ILE A 106 3.020 -4.715 -1.771 1.00 0.00 C ATOM 1646 CG2 ILE A 106 4.809 -3.826 -3.291 1.00 0.00 C ATOM 1647 CD1 ILE A 106 2.276 -5.920 -1.192 1.00 0.00 C ATOM 0 H ILE A 106 5.215 -5.485 -5.167 1.00 0.00 H new ATOM 0 HA ILE A 106 3.121 -6.832 -3.482 1.00 0.00 H new ATOM 0 HB ILE A 106 4.783 -5.768 -2.339 1.00 0.00 H new ATOM 0 HG12 ILE A 106 3.509 -4.175 -0.960 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.298 -4.032 -2.219 1.00 0.00 H new ATOM 0 HG21 ILE A 106 5.124 -3.252 -2.419 1.00 0.00 H new ATOM 0 HG22 ILE A 106 5.684 -4.102 -3.879 1.00 0.00 H new ATOM 0 HG23 ILE A 106 4.138 -3.221 -3.901 1.00 0.00 H new ATOM 0 HD11 ILE A 106 1.549 -5.579 -0.455 1.00 0.00 H new ATOM 0 HD12 ILE A 106 1.759 -6.448 -1.993 1.00 0.00 H new ATOM 0 HD13 ILE A 106 2.989 -6.593 -0.715 1.00 0.00 H new ATOM 1659 N GLN A 107 1.301 -5.191 -4.356 1.00 0.00 N ATOM 1660 CA GLN A 107 0.038 -4.760 -4.949 1.00 0.00 C ATOM 1661 C GLN A 107 -0.972 -4.729 -3.792 1.00 0.00 C ATOM 1662 O GLN A 107 -0.741 -5.366 -2.757 1.00 0.00 O ATOM 1663 CB GLN A 107 -0.391 -5.744 -6.060 1.00 0.00 C ATOM 1664 CG GLN A 107 -1.763 -5.483 -6.691 1.00 0.00 C ATOM 1665 CD GLN A 107 -1.959 -6.349 -7.925 1.00 0.00 C ATOM 1666 OE1 GLN A 107 -1.715 -7.554 -7.887 1.00 0.00 O ATOM 1667 NE2 GLN A 107 -2.374 -5.764 -9.029 1.00 0.00 N ATOM 0 H GLN A 107 1.207 -5.270 -3.343 1.00 0.00 H new ATOM 0 HA GLN A 107 0.114 -3.781 -5.422 1.00 0.00 H new ATOM 0 HB2 GLN A 107 0.361 -5.721 -6.849 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -0.389 -6.752 -5.646 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -2.549 -5.692 -5.965 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -1.851 -4.431 -6.961 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -2.569 -4.763 -9.033 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -2.500 -6.312 -9.880 1.00 0.00 H new ATOM 1676 N ILE A 108 -2.100 -4.051 -3.975 1.00 0.00 N ATOM 1677 CA ILE A 108 -3.328 -4.190 -3.199 1.00 0.00 C ATOM 1678 C ILE A 108 -4.475 -4.150 -4.221 1.00 0.00 C ATOM 1679 O ILE A 108 -4.277 -3.707 -5.358 1.00 0.00 O ATOM 1680 CB ILE A 108 -3.484 -3.074 -2.129 1.00 0.00 C ATOM 1681 CG1 ILE A 108 -2.146 -2.513 -1.596 1.00 0.00 C ATOM 1682 CG2 ILE A 108 -4.337 -3.601 -0.963 1.00 0.00 C ATOM 1683 CD1 ILE A 108 -2.250 -1.693 -0.306 1.00 0.00 C ATOM 0 H ILE A 108 -2.187 -3.350 -4.711 1.00 0.00 H new ATOM 0 HA ILE A 108 -3.322 -5.122 -2.635 1.00 0.00 H new ATOM 0 HB ILE A 108 -3.977 -2.238 -2.625 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -1.464 -3.346 -1.424 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -1.698 -1.889 -2.369 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -4.448 -2.820 -0.211 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -5.320 -3.890 -1.333 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -3.848 -4.467 -0.517 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -1.259 -1.345 -0.015 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -2.902 -0.835 -0.472 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -2.664 -2.315 0.488 1.00 0.00 H new ATOM 1695 N LYS A 109 -5.671 -4.599 -3.847 1.00 0.00 N ATOM 1696 CA LYS A 109 -6.879 -4.454 -4.652 1.00 0.00 C ATOM 1697 C LYS A 109 -8.064 -4.208 -3.711 1.00 0.00 C ATOM 1698 O LYS A 109 -7.966 -4.578 -2.535 1.00 0.00 O ATOM 1699 CB LYS A 109 -7.000 -5.685 -5.588 1.00 0.00 C ATOM 1700 CG LYS A 109 -7.017 -7.069 -4.908 1.00 0.00 C ATOM 1701 CD LYS A 109 -6.209 -8.139 -5.664 1.00 0.00 C ATOM 1702 CE LYS A 109 -4.685 -7.910 -5.592 1.00 0.00 C ATOM 1703 NZ LYS A 109 -3.932 -9.110 -6.028 1.00 0.00 N ATOM 0 H LYS A 109 -5.829 -5.081 -2.962 1.00 0.00 H new ATOM 0 HA LYS A 109 -6.852 -3.590 -5.315 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -7.915 -5.581 -6.172 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -6.168 -5.661 -6.292 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -6.620 -6.973 -3.898 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -8.050 -7.405 -4.814 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -6.443 -9.121 -5.252 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -6.520 -8.150 -6.709 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -4.414 -7.061 -6.220 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -4.403 -7.654 -4.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -2.919 -8.971 -5.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -4.271 -9.942 -5.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -4.078 -9.260 -7.047 1.00 0.00 H new ATOM 1717 N ALA A 110 -9.143 -3.529 -4.128 1.00 0.00 N ATOM 1718 CA ALA A 110 -10.246 -3.206 -3.208 1.00 0.00 C ATOM 1719 C ALA A 110 -11.587 -3.156 -3.925 1.00 0.00 C ATOM 1720 O ALA A 110 -11.652 -2.681 -5.057 1.00 0.00 O ATOM 1721 CB ALA A 110 -9.998 -1.846 -2.551 1.00 0.00 C ATOM 0 H ALA A 110 -9.276 -3.196 -5.083 1.00 0.00 H new ATOM 0 HA ALA A 110 -10.280 -3.996 -2.458 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -10.819 -1.615 -1.872 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -9.063 -1.877 -1.992 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -9.936 -1.076 -3.320 1.00 0.00 H new ATOM 1727 N LEU A 111 -12.653 -3.571 -3.230 1.00 0.00 N ATOM 1728 CA LEU A 111 -14.022 -3.486 -3.727 1.00 0.00 C ATOM 1729 C LEU A 111 -14.447 -2.021 -3.777 1.00 0.00 C ATOM 1730 O LEU A 111 -14.530 -1.360 -2.740 1.00 0.00 O ATOM 1731 CB LEU A 111 -14.983 -4.273 -2.827 1.00 0.00 C ATOM 1732 CG LEU A 111 -16.406 -4.373 -3.410 1.00 0.00 C ATOM 1733 CD1 LEU A 111 -16.501 -5.343 -4.593 1.00 0.00 C ATOM 1734 CD2 LEU A 111 -17.337 -4.855 -2.302 1.00 0.00 C ATOM 0 H LEU A 111 -12.583 -3.979 -2.298 1.00 0.00 H new ATOM 0 HA LEU A 111 -14.059 -3.920 -4.726 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -14.588 -5.277 -2.673 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -15.030 -3.795 -1.849 1.00 0.00 H new ATOM 0 HG LEU A 111 -16.686 -3.387 -3.781 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -17.527 -5.370 -4.960 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -15.839 -5.009 -5.392 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -16.205 -6.341 -4.270 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -18.353 -4.934 -2.689 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -17.006 -5.831 -1.948 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -17.318 -4.144 -1.476 1.00 0.00 H new ATOM 1746 N SER A 112 -14.726 -1.526 -4.971 1.00 0.00 N ATOM 1747 CA SER A 112 -15.168 -0.173 -5.242 1.00 0.00 C ATOM 1748 C SER A 112 -16.700 -0.136 -5.199 1.00 0.00 C ATOM 1749 O SER A 112 -17.277 0.368 -4.233 1.00 0.00 O ATOM 1750 CB SER A 112 -14.554 0.266 -6.584 1.00 0.00 C ATOM 1751 OG SER A 112 -15.291 1.297 -7.204 1.00 0.00 O ATOM 0 H SER A 112 -14.646 -2.087 -5.819 1.00 0.00 H new ATOM 0 HA SER A 112 -14.830 0.541 -4.491 1.00 0.00 H new ATOM 0 HB2 SER A 112 -13.531 0.604 -6.418 1.00 0.00 H new ATOM 0 HB3 SER A 112 -14.502 -0.592 -7.254 1.00 0.00 H new ATOM 0 HG SER A 112 -14.757 2.118 -7.217 1.00 0.00 H new ATOM 1757 N SER A 113 -17.351 -0.655 -6.242 1.00 0.00 N ATOM 1758 CA SER A 113 -18.738 -0.382 -6.572 1.00 0.00 C ATOM 1759 C SER A 113 -19.297 -1.626 -7.248 1.00 0.00 C ATOM 1760 O SER A 113 -18.753 -2.060 -8.270 1.00 0.00 O ATOM 1761 CB SER A 113 -18.779 0.836 -7.509 1.00 0.00 C ATOM 1762 OG SER A 113 -20.095 1.266 -7.791 1.00 0.00 O ATOM 0 H SER A 113 -16.906 -1.297 -6.898 1.00 0.00 H new ATOM 0 HA SER A 113 -19.337 -0.155 -5.690 1.00 0.00 H new ATOM 0 HB2 SER A 113 -18.223 1.656 -7.055 1.00 0.00 H new ATOM 0 HB3 SER A 113 -18.275 0.587 -8.443 1.00 0.00 H new ATOM 0 HG SER A 113 -20.065 2.042 -8.388 1.00 0.00 H new ATOM 1768 N GLY A 114 -20.359 -2.206 -6.689 1.00 0.00 N ATOM 1769 CA GLY A 114 -21.001 -3.418 -7.166 1.00 0.00 C ATOM 1770 C GLY A 114 -20.061 -4.606 -7.008 1.00 0.00 C ATOM 1771 O GLY A 114 -20.021 -5.229 -5.944 1.00 0.00 O ATOM 0 H GLY A 114 -20.809 -1.824 -5.858 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -21.920 -3.595 -6.608 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -21.281 -3.303 -8.213 1.00 0.00 H new ATOM 1775 N THR A 115 -19.269 -4.874 -8.043 1.00 0.00 N ATOM 1776 CA THR A 115 -18.258 -5.924 -8.107 1.00 0.00 C ATOM 1777 C THR A 115 -16.931 -5.398 -8.672 1.00 0.00 C ATOM 1778 O THR A 115 -15.992 -6.177 -8.828 1.00 0.00 O ATOM 1779 CB THR A 115 -18.810 -7.110 -8.923 1.00 0.00 C ATOM 1780 OG1 THR A 115 -19.439 -6.648 -10.110 1.00 0.00 O ATOM 1781 CG2 THR A 115 -19.830 -7.900 -8.097 1.00 0.00 C ATOM 0 H THR A 115 -19.319 -4.334 -8.907 1.00 0.00 H new ATOM 0 HA THR A 115 -18.037 -6.271 -7.097 1.00 0.00 H new ATOM 0 HB THR A 115 -17.972 -7.756 -9.183 1.00 0.00 H new ATOM 0 HG1 THR A 115 -19.782 -7.413 -10.617 1.00 0.00 H new ATOM 0 HG21 THR A 115 -20.210 -8.733 -8.688 1.00 0.00 H new ATOM 0 HG22 THR A 115 -19.350 -8.283 -7.196 1.00 0.00 H new ATOM 0 HG23 THR A 115 -20.657 -7.247 -7.818 1.00 0.00 H new ATOM 1789 N THR A 116 -16.823 -4.090 -8.955 1.00 0.00 N ATOM 1790 CA THR A 116 -15.569 -3.478 -9.365 1.00 0.00 C ATOM 1791 C THR A 116 -14.594 -3.708 -8.235 1.00 0.00 C ATOM 1792 O THR A 116 -14.872 -3.377 -7.079 1.00 0.00 O ATOM 1793 CB THR A 116 -15.696 -1.970 -9.615 1.00 0.00 C ATOM 1794 OG1 THR A 116 -16.606 -1.714 -10.669 1.00 0.00 O ATOM 1795 CG2 THR A 116 -14.342 -1.297 -9.928 1.00 0.00 C ATOM 0 H THR A 116 -17.605 -3.437 -8.903 1.00 0.00 H new ATOM 0 HA THR A 116 -15.244 -3.923 -10.306 1.00 0.00 H new ATOM 0 HB THR A 116 -16.071 -1.537 -8.688 1.00 0.00 H new ATOM 0 HG1 THR A 116 -16.676 -0.747 -10.813 1.00 0.00 H new ATOM 0 HG21 THR A 116 -14.496 -0.231 -10.096 1.00 0.00 H new ATOM 0 HG22 THR A 116 -13.663 -1.438 -9.087 1.00 0.00 H new ATOM 0 HG23 THR A 116 -13.910 -1.746 -10.822 1.00 0.00 H new ATOM 1803 N PHE A 117 -13.436 -4.214 -8.605 1.00 0.00 N ATOM 1804 CA PHE A 117 -12.312 -4.415 -7.738 1.00 0.00 C ATOM 1805 C PHE A 117 -11.188 -3.658 -8.417 1.00 0.00 C ATOM 1806 O PHE A 117 -10.757 -4.055 -9.494 1.00 0.00 O ATOM 1807 CB PHE A 117 -12.075 -5.919 -7.557 1.00 0.00 C ATOM 1808 CG PHE A 117 -12.111 -6.346 -6.107 1.00 0.00 C ATOM 1809 CD1 PHE A 117 -10.973 -6.192 -5.298 1.00 0.00 C ATOM 1810 CD2 PHE A 117 -13.301 -6.856 -5.556 1.00 0.00 C ATOM 1811 CE1 PHE A 117 -11.023 -6.548 -3.939 1.00 0.00 C ATOM 1812 CE2 PHE A 117 -13.345 -7.232 -4.202 1.00 0.00 C ATOM 1813 CZ PHE A 117 -12.209 -7.070 -3.394 1.00 0.00 C ATOM 0 H PHE A 117 -13.253 -4.507 -9.565 1.00 0.00 H new ATOM 0 HA PHE A 117 -12.434 -4.043 -6.721 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -12.833 -6.471 -8.113 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -11.109 -6.184 -7.986 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -10.059 -5.800 -5.720 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -14.181 -6.959 -6.174 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -10.151 -6.421 -3.314 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -14.251 -7.645 -3.784 1.00 0.00 H new ATOM 0 HZ PHE A 117 -12.246 -7.347 -2.351 1.00 0.00 H new ATOM 1823 N VAL A 118 -10.771 -2.517 -7.862 1.00 0.00 N ATOM 1824 CA VAL A 118 -9.573 -1.862 -8.366 1.00 0.00 C ATOM 1825 C VAL A 118 -8.406 -2.761 -8.063 1.00 0.00 C ATOM 1826 O VAL A 118 -8.352 -3.351 -6.984 1.00 0.00 O ATOM 1827 CB VAL A 118 -9.347 -0.466 -7.753 1.00 0.00 C ATOM 1828 CG1 VAL A 118 -9.550 -0.418 -6.251 1.00 0.00 C ATOM 1829 CG2 VAL A 118 -8.124 0.262 -8.325 1.00 0.00 C ATOM 0 H VAL A 118 -11.233 -2.043 -7.086 1.00 0.00 H new ATOM 0 HA VAL A 118 -9.686 -1.701 -9.438 1.00 0.00 H new ATOM 0 HB VAL A 118 -10.164 0.166 -8.101 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -9.374 0.596 -5.892 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -10.571 -0.715 -6.012 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -8.851 -1.101 -5.767 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -8.026 1.237 -7.849 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -7.227 -0.327 -8.134 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -8.249 0.394 -9.400 1.00 0.00 H new ATOM 1839 N TYR A 119 -7.430 -2.772 -8.962 1.00 0.00 N ATOM 1840 CA TYR A 119 -6.148 -3.390 -8.745 1.00 0.00 C ATOM 1841 C TYR A 119 -5.134 -2.273 -8.841 1.00 0.00 C ATOM 1842 O TYR A 119 -5.061 -1.572 -9.857 1.00 0.00 O ATOM 1843 CB TYR A 119 -5.912 -4.498 -9.786 1.00 0.00 C ATOM 1844 CG TYR A 119 -7.078 -5.448 -9.987 1.00 0.00 C ATOM 1845 CD1 TYR A 119 -8.099 -5.142 -10.911 1.00 0.00 C ATOM 1846 CD2 TYR A 119 -7.164 -6.625 -9.225 1.00 0.00 C ATOM 1847 CE1 TYR A 119 -9.210 -5.991 -11.050 1.00 0.00 C ATOM 1848 CE2 TYR A 119 -8.282 -7.468 -9.346 1.00 0.00 C ATOM 1849 CZ TYR A 119 -9.313 -7.149 -10.254 1.00 0.00 C ATOM 1850 OH TYR A 119 -10.406 -7.954 -10.319 1.00 0.00 O ATOM 0 H TYR A 119 -7.520 -2.338 -9.881 1.00 0.00 H new ATOM 0 HA TYR A 119 -6.076 -3.879 -7.773 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -5.673 -4.032 -10.742 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -5.038 -5.077 -9.486 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -8.026 -4.250 -11.515 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -6.367 -6.883 -8.543 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -9.984 -5.756 -11.766 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -8.352 -8.361 -8.743 1.00 0.00 H new ATOM 0 HH TYR A 119 -10.297 -8.704 -9.698 1.00 0.00 H new ATOM 1860 N SER A 120 -4.390 -2.057 -7.758 1.00 0.00 N ATOM 1861 CA SER A 120 -3.329 -1.078 -7.763 1.00 0.00 C ATOM 1862 C SER A 120 -2.256 -1.510 -8.765 1.00 0.00 C ATOM 1863 O SER A 120 -2.206 -2.676 -9.175 1.00 0.00 O ATOM 1864 CB SER A 120 -2.757 -0.957 -6.350 1.00 0.00 C ATOM 1865 OG SER A 120 -1.697 -1.858 -6.059 1.00 0.00 O ATOM 0 H SER A 120 -4.509 -2.550 -6.873 1.00 0.00 H new ATOM 0 HA SER A 120 -3.706 -0.101 -8.065 1.00 0.00 H new ATOM 0 HB2 SER A 120 -2.400 0.062 -6.203 1.00 0.00 H new ATOM 0 HB3 SER A 120 -3.561 -1.119 -5.632 1.00 0.00 H new ATOM 0 HG SER A 120 -0.859 -1.506 -6.424 1.00 0.00 H new ATOM 1871 N GLN A 121 -1.322 -0.603 -9.043 1.00 0.00 N ATOM 1872 CA GLN A 121 -0.153 -0.915 -9.842 1.00 0.00 C ATOM 1873 C GLN A 121 0.688 -1.988 -9.146 1.00 0.00 C ATOM 1874 O GLN A 121 0.660 -2.105 -7.910 1.00 0.00 O ATOM 1875 CB GLN A 121 0.637 0.371 -10.133 1.00 0.00 C ATOM 1876 CG GLN A 121 1.243 1.003 -8.870 1.00 0.00 C ATOM 1877 CD GLN A 121 1.486 2.508 -8.961 1.00 0.00 C ATOM 1878 OE1 GLN A 121 0.778 3.247 -9.627 1.00 0.00 O ATOM 1879 NE2 GLN A 121 2.382 3.010 -8.130 1.00 0.00 N ATOM 0 H GLN A 121 -1.359 0.364 -8.719 1.00 0.00 H new ATOM 0 HA GLN A 121 -0.456 -1.328 -10.804 1.00 0.00 H new ATOM 0 HB2 GLN A 121 1.436 0.148 -10.840 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -0.021 1.094 -10.614 1.00 0.00 H new ATOM 0 HG2 GLN A 121 0.579 0.807 -8.028 1.00 0.00 H new ATOM 0 HG3 GLN A 121 2.190 0.509 -8.652 1.00 0.00 H new ATOM 0 HE21 GLN A 121 2.970 2.387 -7.577 1.00 0.00 H new ATOM 0 HE22 GLN A 121 2.486 4.021 -8.042 1.00 0.00 H new ATOM 1888 N LYS A 122 1.435 -2.748 -9.943 1.00 0.00 N ATOM 1889 CA LYS A 122 2.389 -3.769 -9.532 1.00 0.00 C ATOM 1890 C LYS A 122 3.729 -3.094 -9.295 1.00 0.00 C ATOM 1891 O LYS A 122 4.262 -2.509 -10.231 1.00 0.00 O ATOM 1892 CB LYS A 122 2.463 -4.793 -10.684 1.00 0.00 C ATOM 1893 CG LYS A 122 3.508 -5.917 -10.554 1.00 0.00 C ATOM 1894 CD LYS A 122 4.900 -5.533 -11.093 1.00 0.00 C ATOM 1895 CE LYS A 122 5.823 -6.739 -11.301 1.00 0.00 C ATOM 1896 NZ LYS A 122 5.409 -7.632 -12.405 1.00 0.00 N ATOM 0 H LYS A 122 1.385 -2.660 -10.958 1.00 0.00 H new ATOM 0 HA LYS A 122 2.099 -4.277 -8.612 1.00 0.00 H new ATOM 0 HB2 LYS A 122 1.481 -5.254 -10.791 1.00 0.00 H new ATOM 0 HB3 LYS A 122 2.663 -4.250 -11.608 1.00 0.00 H new ATOM 0 HG2 LYS A 122 3.599 -6.197 -9.505 1.00 0.00 H new ATOM 0 HG3 LYS A 122 3.151 -6.797 -11.089 1.00 0.00 H new ATOM 0 HD2 LYS A 122 4.783 -5.006 -12.040 1.00 0.00 H new ATOM 0 HD3 LYS A 122 5.372 -4.838 -10.398 1.00 0.00 H new ATOM 0 HE2 LYS A 122 6.833 -6.380 -11.497 1.00 0.00 H new ATOM 0 HE3 LYS A 122 5.864 -7.316 -10.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 6.149 -8.344 -12.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 4.521 -8.109 -12.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 5.266 -7.072 -13.270 1.00 0.00 H new ATOM 1910 N ILE A 123 4.289 -3.191 -8.092 1.00 0.00 N ATOM 1911 CA ILE A 123 5.621 -2.690 -7.775 1.00 0.00 C ATOM 1912 C ILE A 123 6.468 -3.895 -7.417 1.00 0.00 C ATOM 1913 O ILE A 123 6.313 -4.473 -6.341 1.00 0.00 O ATOM 1914 CB ILE A 123 5.555 -1.590 -6.675 1.00 0.00 C ATOM 1915 CG1 ILE A 123 4.629 -0.386 -6.986 1.00 0.00 C ATOM 1916 CG2 ILE A 123 6.935 -1.005 -6.333 1.00 0.00 C ATOM 1917 CD1 ILE A 123 4.929 0.377 -8.278 1.00 0.00 C ATOM 0 H ILE A 123 3.821 -3.627 -7.298 1.00 0.00 H new ATOM 0 HA ILE A 123 6.085 -2.185 -8.622 1.00 0.00 H new ATOM 0 HB ILE A 123 5.134 -2.143 -5.835 1.00 0.00 H new ATOM 0 HG12 ILE A 123 3.601 -0.746 -7.031 1.00 0.00 H new ATOM 0 HG13 ILE A 123 4.685 0.314 -6.153 1.00 0.00 H new ATOM 0 HG21 ILE A 123 6.826 -0.244 -5.561 1.00 0.00 H new ATOM 0 HG22 ILE A 123 7.587 -1.799 -5.970 1.00 0.00 H new ATOM 0 HG23 ILE A 123 7.372 -0.557 -7.226 1.00 0.00 H new ATOM 0 HD11 ILE A 123 4.219 1.196 -8.390 1.00 0.00 H new ATOM 0 HD12 ILE A 123 5.942 0.778 -8.237 1.00 0.00 H new ATOM 0 HD13 ILE A 123 4.841 -0.299 -9.129 1.00 0.00 H new ATOM 1929 N ASP A 124 7.337 -4.291 -8.347 1.00 0.00 N ATOM 1930 CA ASP A 124 8.475 -5.156 -8.055 1.00 0.00 C ATOM 1931 C ASP A 124 9.285 -4.495 -6.952 1.00 0.00 C ATOM 1932 O ASP A 124 9.484 -3.278 -6.962 1.00 0.00 O ATOM 1933 CB ASP A 124 9.333 -5.373 -9.308 1.00 0.00 C ATOM 1934 CG ASP A 124 9.383 -6.802 -9.839 1.00 0.00 C ATOM 1935 OD1 ASP A 124 8.329 -7.435 -10.045 1.00 0.00 O ATOM 1936 OD2 ASP A 124 10.506 -7.203 -10.226 1.00 0.00 O ATOM 0 H ASP A 124 7.269 -4.018 -9.328 1.00 0.00 H new ATOM 0 HA ASP A 124 8.129 -6.138 -7.732 1.00 0.00 H new ATOM 0 HB2 ASP A 124 8.957 -4.724 -10.099 1.00 0.00 H new ATOM 0 HB3 ASP A 124 10.351 -5.051 -9.088 1.00 0.00 H new ATOM 1941 N PHE A 125 9.764 -5.276 -5.996 1.00 0.00 N ATOM 1942 CA PHE A 125 10.672 -4.793 -4.982 1.00 0.00 C ATOM 1943 C PHE A 125 11.776 -5.809 -4.799 1.00 0.00 C ATOM 1944 O PHE A 125 11.619 -6.978 -5.143 1.00 0.00 O ATOM 1945 CB PHE A 125 9.927 -4.503 -3.680 1.00 0.00 C ATOM 1946 CG PHE A 125 9.359 -5.701 -2.946 1.00 0.00 C ATOM 1947 CD1 PHE A 125 10.157 -6.418 -2.032 1.00 0.00 C ATOM 1948 CD2 PHE A 125 8.012 -6.056 -3.120 1.00 0.00 C ATOM 1949 CE1 PHE A 125 9.610 -7.483 -1.299 1.00 0.00 C ATOM 1950 CE2 PHE A 125 7.465 -7.123 -2.389 1.00 0.00 C ATOM 1951 CZ PHE A 125 8.263 -7.842 -1.482 1.00 0.00 C ATOM 0 H PHE A 125 9.530 -6.265 -5.906 1.00 0.00 H new ATOM 0 HA PHE A 125 11.118 -3.849 -5.295 1.00 0.00 H new ATOM 0 HB2 PHE A 125 10.607 -3.981 -3.007 1.00 0.00 H new ATOM 0 HB3 PHE A 125 9.108 -3.818 -3.900 1.00 0.00 H new ATOM 0 HD1 PHE A 125 11.193 -6.147 -1.895 1.00 0.00 H new ATOM 0 HD2 PHE A 125 7.396 -5.508 -3.817 1.00 0.00 H new ATOM 0 HE1 PHE A 125 10.223 -8.026 -0.595 1.00 0.00 H new ATOM 0 HE2 PHE A 125 6.428 -7.392 -2.524 1.00 0.00 H new ATOM 0 HZ PHE A 125 7.843 -8.668 -0.927 1.00 0.00 H new ATOM 1961 N GLU A 126 12.880 -5.362 -4.216 1.00 0.00 N ATOM 1962 CA GLU A 126 14.007 -6.214 -3.933 1.00 0.00 C ATOM 1963 C GLU A 126 14.094 -6.412 -2.434 1.00 0.00 C ATOM 1964 O GLU A 126 13.604 -5.585 -1.653 1.00 0.00 O ATOM 1965 CB GLU A 126 15.246 -5.618 -4.588 1.00 0.00 C ATOM 1966 CG GLU A 126 15.065 -5.638 -6.117 1.00 0.00 C ATOM 1967 CD GLU A 126 16.349 -5.406 -6.894 1.00 0.00 C ATOM 1968 OE1 GLU A 126 17.301 -6.211 -6.765 1.00 0.00 O ATOM 1969 OE2 GLU A 126 16.388 -4.475 -7.728 1.00 0.00 O ATOM 0 H GLU A 126 13.011 -4.392 -3.928 1.00 0.00 H new ATOM 0 HA GLU A 126 13.903 -7.212 -4.359 1.00 0.00 H new ATOM 0 HB2 GLU A 126 15.401 -4.596 -4.241 1.00 0.00 H new ATOM 0 HB3 GLU A 126 16.131 -6.188 -4.306 1.00 0.00 H new ATOM 0 HG2 GLU A 126 14.644 -6.600 -6.410 1.00 0.00 H new ATOM 0 HG3 GLU A 126 14.340 -4.874 -6.397 1.00 0.00 H new ATOM 1976 N ARG A 127 14.687 -7.541 -2.061 1.00 0.00 N ATOM 1977 CA ARG A 127 14.829 -7.965 -0.688 1.00 0.00 C ATOM 1978 C ARG A 127 16.319 -7.955 -0.426 1.00 0.00 C ATOM 1979 O ARG A 127 17.016 -8.859 -0.881 1.00 0.00 O ATOM 1980 CB ARG A 127 14.149 -9.321 -0.436 1.00 0.00 C ATOM 1981 CG ARG A 127 12.715 -9.398 -0.979 1.00 0.00 C ATOM 1982 CD ARG A 127 11.770 -10.204 -0.086 1.00 0.00 C ATOM 1983 NE ARG A 127 12.214 -11.589 0.162 1.00 0.00 N ATOM 1984 CZ ARG A 127 11.477 -12.707 0.102 1.00 0.00 C ATOM 1985 NH1 ARG A 127 10.310 -12.747 -0.533 1.00 0.00 N ATOM 1986 NH2 ARG A 127 11.910 -13.804 0.709 1.00 0.00 N ATOM 0 H ARG A 127 15.090 -8.198 -2.729 1.00 0.00 H new ATOM 0 HA ARG A 127 14.322 -7.301 0.012 1.00 0.00 H new ATOM 0 HB2 ARG A 127 14.746 -10.109 -0.896 1.00 0.00 H new ATOM 0 HB3 ARG A 127 14.134 -9.517 0.636 1.00 0.00 H new ATOM 0 HG2 ARG A 127 12.322 -8.387 -1.092 1.00 0.00 H new ATOM 0 HG3 ARG A 127 12.734 -9.846 -1.973 1.00 0.00 H new ATOM 0 HD2 ARG A 127 11.664 -9.691 0.870 1.00 0.00 H new ATOM 0 HD3 ARG A 127 10.782 -10.227 -0.547 1.00 0.00 H new ATOM 0 HE ARG A 127 13.197 -11.710 0.408 1.00 0.00 H new ATOM 0 HH11 ARG A 127 9.951 -11.911 -0.993 1.00 0.00 H new ATOM 0 HH12 ARG A 127 9.774 -13.614 -0.560 1.00 0.00 H new ATOM 0 HH21 ARG A 127 12.796 -13.791 1.215 1.00 0.00 H new ATOM 0 HH22 ARG A 127 11.357 -14.660 0.670 1.00 0.00 H new ATOM 2000 N GLU A 128 16.753 -6.900 0.251 1.00 0.00 N ATOM 2001 CA GLU A 128 18.092 -6.693 0.816 1.00 0.00 C ATOM 2002 C GLU A 128 19.243 -7.082 -0.119 1.00 0.00 C ATOM 2003 O GLU A 128 19.552 -6.292 -1.033 1.00 0.00 O ATOM 2004 CB GLU A 128 18.169 -7.322 2.230 1.00 0.00 C ATOM 2005 CG GLU A 128 17.679 -8.782 2.283 1.00 0.00 C ATOM 2006 CD GLU A 128 18.116 -9.544 3.526 1.00 0.00 C ATOM 2007 OE1 GLU A 128 19.322 -9.546 3.865 1.00 0.00 O ATOM 2008 OE2 GLU A 128 17.246 -10.116 4.222 1.00 0.00 O ATOM 0 H GLU A 128 16.139 -6.106 0.436 1.00 0.00 H new ATOM 0 HA GLU A 128 18.242 -5.619 0.926 1.00 0.00 H new ATOM 0 HB2 GLU A 128 19.200 -7.281 2.581 1.00 0.00 H new ATOM 0 HB3 GLU A 128 17.573 -6.722 2.918 1.00 0.00 H new ATOM 0 HG2 GLU A 128 16.590 -8.790 2.230 1.00 0.00 H new ATOM 0 HG3 GLU A 128 18.045 -9.308 1.401 1.00 0.00 H new TER 2015 GLU A 128