USER MOD reduce.3.24.130724 H: found=0, std=0, add=1130, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1130 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 61 TYR OH : rot 89:sc= -5.84! USER MOD Set 1.2: A 93 SER OG : rot -148:sc= -0.462! USER MOD Set 2.1: A 58 ASN : amide:sc= -3.65 K(o=-3.7,f=-7!) USER MOD Set 2.2: A 90 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 66 MET CE :methyl -154:sc= -5.09! (180deg=-1.89!) USER MOD Set 3.2: A 69 TYR OH : rot 164:sc= -3.95! USER MOD Set 4.1: A 21 GLN : amide:sc= -7.76! C(o=-19!,f=-10!) USER MOD Set 4.2: A 79 GLN : amide:sc= -10.9! C(o=-19!,f=-10!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 168:sc= -0.0079 (180deg=-0.138) USER MOD Single : A 2 LYS NZ :NH3+ -162:sc= 0.0633 (180deg=0.0271) USER MOD Single : A 12 CYS SG : rot -173:sc= -3.41! USER MOD Single : A 15 GLN : amide:sc= -0.0615 K(o=-0.061,f=-1.4) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0.451 K(o=0.45,f=-0.66) USER MOD Single : A 25 ASN : amide:sc= -1.34 K(o=-1.3,f=-0.58) USER MOD Single : A 32 TYR OH : rot 89:sc= -3.18! USER MOD Single : A 33 GLN : amide:sc= -0.158 X(o=-0.16,f=-0.0095) USER MOD Single : A 38 GLN : amide:sc= -0.435 K(o=-0.44,f=-2.9!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 94:sc= 1.39 USER MOD Single : A 57 THR OG1 : rot -75:sc= 1.25 USER MOD Single : A 59 THR OG1 : rot -87:sc= 0.808 USER MOD Single : A 67 LYS NZ :NH3+ -158:sc= -0.17 (180deg=-0.508) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -161:sc= -3.41! (180deg=-4.06!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 78:sc= -3.89! USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.217 K(o=-0.22,f=-1.8!) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 HIS : no HE2:sc= -2.44! C(o=-2.4!,f=-5.8!) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 ASN : amide:sc= -4.89! C(o=-4.9!,f=-6.2!) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 ASN : amide:sc= -2.87! C(o=-2.9!,f=-2.6!) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 128.453 3.043 -19.653 1.00 0.00 N ATOM 2 CA MET A 1 129.751 3.439 -19.047 1.00 0.00 C ATOM 3 C MET A 1 130.107 2.538 -17.870 1.00 0.00 C ATOM 4 O MET A 1 130.682 2.992 -16.880 1.00 0.00 O ATOM 5 CB MET A 1 129.651 4.894 -18.587 1.00 0.00 C ATOM 6 CG MET A 1 130.443 5.862 -19.451 1.00 0.00 C ATOM 7 SD MET A 1 130.896 7.369 -18.570 1.00 0.00 S ATOM 8 CE MET A 1 131.043 8.525 -19.931 1.00 0.00 C ATOM 0 H1 MET A 1 128.136 3.784 -20.311 1.00 0.00 H new ATOM 0 H2 MET A 1 128.570 2.148 -20.170 1.00 0.00 H new ATOM 0 H3 MET A 1 127.743 2.919 -18.903 1.00 0.00 H new ATOM 0 HA MET A 1 130.540 3.334 -19.791 1.00 0.00 H new ATOM 0 HB2 MET A 1 128.603 5.195 -18.586 1.00 0.00 H new ATOM 0 HB3 MET A 1 130.004 4.966 -17.558 1.00 0.00 H new ATOM 0 HG2 MET A 1 131.347 5.368 -19.807 1.00 0.00 H new ATOM 0 HG3 MET A 1 129.854 6.123 -20.331 1.00 0.00 H new ATOM 0 HE1 MET A 1 131.319 9.507 -19.546 1.00 0.00 H new ATOM 0 HE2 MET A 1 131.810 8.177 -20.623 1.00 0.00 H new ATOM 0 HE3 MET A 1 130.089 8.596 -20.453 1.00 0.00 H new ATOM 20 N LYS A 2 129.764 1.260 -17.984 1.00 0.00 N ATOM 21 CA LYS A 2 130.047 0.294 -16.929 1.00 0.00 C ATOM 22 C LYS A 2 129.402 -1.054 -17.236 1.00 0.00 C ATOM 23 O LYS A 2 128.561 -1.162 -18.128 1.00 0.00 O ATOM 24 CB LYS A 2 129.545 0.817 -15.582 1.00 0.00 C ATOM 25 CG LYS A 2 130.661 1.224 -14.633 1.00 0.00 C ATOM 26 CD LYS A 2 130.156 1.357 -13.205 1.00 0.00 C ATOM 27 CE LYS A 2 128.982 2.317 -13.117 1.00 0.00 C ATOM 28 NZ LYS A 2 129.045 3.159 -11.890 1.00 0.00 N ATOM 0 H LYS A 2 129.289 0.868 -18.797 1.00 0.00 H new ATOM 0 HA LYS A 2 131.127 0.156 -16.879 1.00 0.00 H new ATOM 0 HB2 LYS A 2 128.895 1.675 -15.754 1.00 0.00 H new ATOM 0 HB3 LYS A 2 128.938 0.047 -15.106 1.00 0.00 H new ATOM 0 HG2 LYS A 2 131.460 0.484 -14.670 1.00 0.00 H new ATOM 0 HG3 LYS A 2 131.089 2.172 -14.958 1.00 0.00 H new ATOM 0 HD2 LYS A 2 129.856 0.378 -12.831 1.00 0.00 H new ATOM 0 HD3 LYS A 2 130.964 1.709 -12.563 1.00 0.00 H new ATOM 0 HE2 LYS A 2 128.971 2.959 -13.998 1.00 0.00 H new ATOM 0 HE3 LYS A 2 128.050 1.752 -13.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 128.108 3.570 -11.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 129.334 2.573 -11.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 129.737 3.923 -12.028 1.00 0.00 H new ATOM 42 N PRO A 3 129.794 -2.100 -16.495 1.00 0.00 N ATOM 43 CA PRO A 3 129.258 -3.452 -16.681 1.00 0.00 C ATOM 44 C PRO A 3 127.734 -3.479 -16.671 1.00 0.00 C ATOM 45 O PRO A 3 127.108 -4.127 -17.510 1.00 0.00 O ATOM 46 CB PRO A 3 129.817 -4.211 -15.476 1.00 0.00 C ATOM 47 CG PRO A 3 131.075 -3.498 -15.141 1.00 0.00 C ATOM 48 CD PRO A 3 130.793 -2.049 -15.412 1.00 0.00 C ATOM 0 HA PRO A 3 129.539 -3.879 -17.644 1.00 0.00 H new ATOM 0 HB2 PRO A 3 129.118 -4.198 -14.639 1.00 0.00 H new ATOM 0 HB3 PRO A 3 130.006 -5.257 -15.718 1.00 0.00 H new ATOM 0 HG2 PRO A 3 131.351 -3.657 -14.099 1.00 0.00 H new ATOM 0 HG3 PRO A 3 131.905 -3.858 -15.749 1.00 0.00 H new ATOM 0 HD2 PRO A 3 130.405 -1.542 -14.529 1.00 0.00 H new ATOM 0 HD3 PRO A 3 131.692 -1.514 -15.718 1.00 0.00 H new ATOM 56 N ALA A 4 127.140 -2.770 -15.716 1.00 0.00 N ATOM 57 CA ALA A 4 125.689 -2.713 -15.596 1.00 0.00 C ATOM 58 C ALA A 4 125.251 -1.494 -14.792 1.00 0.00 C ATOM 59 O ALA A 4 125.568 -1.371 -13.609 1.00 0.00 O ATOM 60 CB ALA A 4 125.162 -3.987 -14.953 1.00 0.00 C ATOM 0 H ALA A 4 127.643 -2.227 -15.014 1.00 0.00 H new ATOM 0 HA ALA A 4 125.271 -2.624 -16.599 1.00 0.00 H new ATOM 0 HB1 ALA A 4 124.077 -3.930 -14.870 1.00 0.00 H new ATOM 0 HB2 ALA A 4 125.435 -4.845 -15.568 1.00 0.00 H new ATOM 0 HB3 ALA A 4 125.597 -4.100 -13.960 1.00 0.00 H new ATOM 66 N ALA A 5 124.521 -0.593 -15.443 1.00 0.00 N ATOM 67 CA ALA A 5 124.041 0.618 -14.788 1.00 0.00 C ATOM 68 C ALA A 5 122.522 0.600 -14.651 1.00 0.00 C ATOM 69 O ALA A 5 121.857 1.612 -14.872 1.00 0.00 O ATOM 70 CB ALA A 5 124.488 1.848 -15.562 1.00 0.00 C ATOM 0 H ALA A 5 124.250 -0.679 -16.422 1.00 0.00 H new ATOM 0 HA ALA A 5 124.471 0.656 -13.787 1.00 0.00 H new ATOM 0 HB1 ALA A 5 124.123 2.745 -15.062 1.00 0.00 H new ATOM 0 HB2 ALA A 5 125.577 1.875 -15.606 1.00 0.00 H new ATOM 0 HB3 ALA A 5 124.085 1.807 -16.574 1.00 0.00 H new ATOM 76 N ARG A 6 121.980 -0.557 -14.285 1.00 0.00 N ATOM 77 CA ARG A 6 120.538 -0.706 -14.119 1.00 0.00 C ATOM 78 C ARG A 6 120.046 0.080 -12.909 1.00 0.00 C ATOM 79 O ARG A 6 118.914 0.563 -12.889 1.00 0.00 O ATOM 80 CB ARG A 6 120.173 -2.184 -13.964 1.00 0.00 C ATOM 81 CG ARG A 6 120.386 -3.000 -15.228 1.00 0.00 C ATOM 82 CD ARG A 6 119.198 -3.905 -15.513 1.00 0.00 C ATOM 83 NE ARG A 6 118.841 -3.910 -16.929 1.00 0.00 N ATOM 84 CZ ARG A 6 118.025 -4.803 -17.479 1.00 0.00 C ATOM 85 NH1 ARG A 6 117.484 -5.758 -16.734 1.00 0.00 N ATOM 86 NH2 ARG A 6 117.747 -4.743 -18.775 1.00 0.00 N ATOM 0 H ARG A 6 122.516 -1.404 -14.098 1.00 0.00 H new ATOM 0 HA ARG A 6 120.051 -0.309 -15.010 1.00 0.00 H new ATOM 0 HB2 ARG A 6 120.769 -2.614 -13.159 1.00 0.00 H new ATOM 0 HB3 ARG A 6 119.128 -2.262 -13.663 1.00 0.00 H new ATOM 0 HG2 ARG A 6 120.545 -2.330 -16.073 1.00 0.00 H new ATOM 0 HG3 ARG A 6 121.288 -3.603 -15.125 1.00 0.00 H new ATOM 0 HD2 ARG A 6 119.432 -4.921 -15.195 1.00 0.00 H new ATOM 0 HD3 ARG A 6 118.342 -3.575 -14.924 1.00 0.00 H new ATOM 0 HE ARG A 6 119.240 -3.188 -17.529 1.00 0.00 H new ATOM 0 HH11 ARG A 6 117.694 -5.808 -15.737 1.00 0.00 H new ATOM 0 HH12 ARG A 6 116.858 -6.443 -17.158 1.00 0.00 H new ATOM 0 HH21 ARG A 6 118.160 -4.010 -19.352 1.00 0.00 H new ATOM 0 HH22 ARG A 6 117.120 -5.430 -19.194 1.00 0.00 H new ATOM 100 N ARG A 7 120.904 0.208 -11.903 1.00 0.00 N ATOM 101 CA ARG A 7 120.557 0.936 -10.688 1.00 0.00 C ATOM 102 C ARG A 7 119.355 0.301 -9.998 1.00 0.00 C ATOM 103 O ARG A 7 118.208 0.616 -10.311 1.00 0.00 O ATOM 104 CB ARG A 7 120.256 2.400 -11.016 1.00 0.00 C ATOM 105 CG ARG A 7 120.618 2.793 -12.439 1.00 0.00 C ATOM 106 CD ARG A 7 120.951 4.272 -12.542 1.00 0.00 C ATOM 107 NE ARG A 7 120.536 4.840 -13.821 1.00 0.00 N ATOM 108 CZ ARG A 7 120.360 6.140 -14.028 1.00 0.00 C ATOM 109 NH1 ARG A 7 120.562 7.004 -13.042 1.00 0.00 N ATOM 110 NH2 ARG A 7 119.982 6.580 -15.221 1.00 0.00 N ATOM 0 H ARG A 7 121.846 -0.183 -11.905 1.00 0.00 H new ATOM 0 HA ARG A 7 121.409 0.889 -10.010 1.00 0.00 H new ATOM 0 HB2 ARG A 7 119.195 2.589 -10.855 1.00 0.00 H new ATOM 0 HB3 ARG A 7 120.802 3.039 -10.322 1.00 0.00 H new ATOM 0 HG2 ARG A 7 121.471 2.203 -12.774 1.00 0.00 H new ATOM 0 HG3 ARG A 7 119.787 2.559 -13.105 1.00 0.00 H new ATOM 0 HD2 ARG A 7 120.462 4.811 -11.731 1.00 0.00 H new ATOM 0 HD3 ARG A 7 122.025 4.411 -12.415 1.00 0.00 H new ATOM 0 HE ARG A 7 120.372 4.202 -14.600 1.00 0.00 H new ATOM 0 HH11 ARG A 7 120.853 6.670 -12.123 1.00 0.00 H new ATOM 0 HH12 ARG A 7 120.426 8.002 -13.203 1.00 0.00 H new ATOM 0 HH21 ARG A 7 119.826 5.919 -15.982 1.00 0.00 H new ATOM 0 HH22 ARG A 7 119.848 7.579 -15.377 1.00 0.00 H new ATOM 124 N ARG A 8 119.627 -0.596 -9.055 1.00 0.00 N ATOM 125 CA ARG A 8 118.570 -1.277 -8.319 1.00 0.00 C ATOM 126 C ARG A 8 118.690 -1.010 -6.822 1.00 0.00 C ATOM 127 O ARG A 8 117.752 -0.511 -6.200 1.00 0.00 O ATOM 128 CB ARG A 8 118.620 -2.782 -8.586 1.00 0.00 C ATOM 129 CG ARG A 8 118.095 -3.174 -9.958 1.00 0.00 C ATOM 130 CD ARG A 8 117.051 -4.274 -9.861 1.00 0.00 C ATOM 131 NE ARG A 8 116.822 -4.926 -11.147 1.00 0.00 N ATOM 132 CZ ARG A 8 117.670 -5.789 -11.697 1.00 0.00 C ATOM 133 NH1 ARG A 8 118.798 -6.102 -11.073 1.00 0.00 N ATOM 134 NH2 ARG A 8 117.391 -6.341 -12.869 1.00 0.00 N ATOM 0 H ARG A 8 120.572 -0.868 -8.783 1.00 0.00 H new ATOM 0 HA ARG A 8 117.613 -0.886 -8.664 1.00 0.00 H new ATOM 0 HB2 ARG A 8 119.650 -3.126 -8.488 1.00 0.00 H new ATOM 0 HB3 ARG A 8 118.038 -3.298 -7.822 1.00 0.00 H new ATOM 0 HG2 ARG A 8 117.661 -2.301 -10.446 1.00 0.00 H new ATOM 0 HG3 ARG A 8 118.922 -3.510 -10.583 1.00 0.00 H new ATOM 0 HD2 ARG A 8 117.373 -5.016 -9.131 1.00 0.00 H new ATOM 0 HD3 ARG A 8 116.114 -3.853 -9.496 1.00 0.00 H new ATOM 0 HE ARG A 8 115.963 -4.707 -11.652 1.00 0.00 H new ATOM 0 HH11 ARG A 8 119.015 -5.680 -10.170 1.00 0.00 H new ATOM 0 HH12 ARG A 8 119.448 -6.764 -11.496 1.00 0.00 H new ATOM 0 HH21 ARG A 8 116.524 -6.104 -13.351 1.00 0.00 H new ATOM 0 HH22 ARG A 8 118.043 -7.003 -13.289 1.00 0.00 H new ATOM 148 N ALA A 9 119.858 -1.352 -6.265 1.00 0.00 N ATOM 149 CA ALA A 9 120.153 -1.168 -4.839 1.00 0.00 C ATOM 150 C ALA A 9 118.895 -0.896 -4.013 1.00 0.00 C ATOM 151 O ALA A 9 118.376 -1.792 -3.351 1.00 0.00 O ATOM 152 CB ALA A 9 121.177 -0.053 -4.653 1.00 0.00 C ATOM 0 H ALA A 9 120.627 -1.765 -6.792 1.00 0.00 H new ATOM 0 HA ALA A 9 120.573 -2.103 -4.470 1.00 0.00 H new ATOM 0 HB1 ALA A 9 121.388 0.074 -3.591 1.00 0.00 H new ATOM 0 HB2 ALA A 9 122.097 -0.313 -5.177 1.00 0.00 H new ATOM 0 HB3 ALA A 9 120.779 0.878 -5.058 1.00 0.00 H new ATOM 158 N ARG A 10 118.413 0.343 -4.055 1.00 0.00 N ATOM 159 CA ARG A 10 117.222 0.734 -3.306 1.00 0.00 C ATOM 160 C ARG A 10 116.220 -0.412 -3.214 1.00 0.00 C ATOM 161 O ARG A 10 116.064 -1.031 -2.161 1.00 0.00 O ATOM 162 CB ARG A 10 116.562 1.949 -3.960 1.00 0.00 C ATOM 163 CG ARG A 10 117.332 3.243 -3.757 1.00 0.00 C ATOM 164 CD ARG A 10 116.757 4.372 -4.597 1.00 0.00 C ATOM 165 NE ARG A 10 116.138 3.879 -5.824 1.00 0.00 N ATOM 166 CZ ARG A 10 114.909 3.377 -5.878 1.00 0.00 C ATOM 167 NH1 ARG A 10 114.171 3.301 -4.778 1.00 0.00 N ATOM 168 NH2 ARG A 10 114.415 2.950 -7.032 1.00 0.00 N ATOM 0 H ARG A 10 118.830 1.096 -4.602 1.00 0.00 H new ATOM 0 HA ARG A 10 117.536 0.992 -2.295 1.00 0.00 H new ATOM 0 HB2 ARG A 10 116.456 1.763 -5.029 1.00 0.00 H new ATOM 0 HB3 ARG A 10 115.557 2.067 -3.556 1.00 0.00 H new ATOM 0 HG2 ARG A 10 117.305 3.522 -2.704 1.00 0.00 H new ATOM 0 HG3 ARG A 10 118.379 3.090 -4.020 1.00 0.00 H new ATOM 0 HD2 ARG A 10 116.018 4.919 -4.012 1.00 0.00 H new ATOM 0 HD3 ARG A 10 117.549 5.077 -4.848 1.00 0.00 H new ATOM 0 HE ARG A 10 116.679 3.922 -6.688 1.00 0.00 H new ATOM 0 HH11 ARG A 10 114.547 3.628 -3.888 1.00 0.00 H new ATOM 0 HH12 ARG A 10 113.228 2.915 -4.822 1.00 0.00 H new ATOM 0 HH21 ARG A 10 114.979 3.007 -7.880 1.00 0.00 H new ATOM 0 HH22 ARG A 10 113.471 2.565 -7.072 1.00 0.00 H new ATOM 182 N GLU A 11 115.543 -0.688 -4.322 1.00 0.00 N ATOM 183 CA GLU A 11 114.553 -1.757 -4.367 1.00 0.00 C ATOM 184 C GLU A 11 115.202 -3.111 -4.105 1.00 0.00 C ATOM 185 O GLU A 11 114.596 -3.998 -3.505 1.00 0.00 O ATOM 186 CB GLU A 11 113.847 -1.769 -5.724 1.00 0.00 C ATOM 187 CG GLU A 11 113.368 -0.397 -6.175 1.00 0.00 C ATOM 188 CD GLU A 11 113.142 -0.322 -7.673 1.00 0.00 C ATOM 189 OE1 GLU A 11 113.601 -1.237 -8.389 1.00 0.00 O ATOM 190 OE2 GLU A 11 112.506 0.651 -8.129 1.00 0.00 O ATOM 0 H GLU A 11 115.662 -0.186 -5.202 1.00 0.00 H new ATOM 0 HA GLU A 11 113.817 -1.571 -3.585 1.00 0.00 H new ATOM 0 HB2 GLU A 11 114.527 -2.172 -6.474 1.00 0.00 H new ATOM 0 HB3 GLU A 11 112.993 -2.444 -5.674 1.00 0.00 H new ATOM 0 HG2 GLU A 11 112.440 -0.152 -5.658 1.00 0.00 H new ATOM 0 HG3 GLU A 11 114.102 0.354 -5.884 1.00 0.00 H new ATOM 197 N CYS A 12 116.444 -3.260 -4.552 1.00 0.00 N ATOM 198 CA CYS A 12 117.180 -4.504 -4.365 1.00 0.00 C ATOM 199 C CYS A 12 117.416 -4.772 -2.885 1.00 0.00 C ATOM 200 O CYS A 12 117.477 -5.923 -2.448 1.00 0.00 O ATOM 201 CB CYS A 12 118.518 -4.440 -5.102 1.00 0.00 C ATOM 202 SG CYS A 12 119.320 -6.047 -5.316 1.00 0.00 S ATOM 0 H CYS A 12 116.962 -2.534 -5.047 1.00 0.00 H new ATOM 0 HA CYS A 12 116.585 -5.320 -4.775 1.00 0.00 H new ATOM 0 HB2 CYS A 12 118.359 -3.992 -6.083 1.00 0.00 H new ATOM 0 HB3 CYS A 12 119.191 -3.780 -4.555 1.00 0.00 H new ATOM 0 HG CYS A 12 120.507 -5.876 -5.817 1.00 0.00 H new ATOM 208 N ALA A 13 117.554 -3.698 -2.120 1.00 0.00 N ATOM 209 CA ALA A 13 117.799 -3.798 -0.691 1.00 0.00 C ATOM 210 C ALA A 13 116.647 -4.501 0.029 1.00 0.00 C ATOM 211 O ALA A 13 116.848 -5.177 1.037 1.00 0.00 O ATOM 212 CB ALA A 13 118.036 -2.413 -0.103 1.00 0.00 C ATOM 0 H ALA A 13 117.500 -2.741 -2.470 1.00 0.00 H new ATOM 0 HA ALA A 13 118.693 -4.403 -0.543 1.00 0.00 H new ATOM 0 HB1 ALA A 13 118.219 -2.499 0.968 1.00 0.00 H new ATOM 0 HB2 ALA A 13 118.902 -1.957 -0.583 1.00 0.00 H new ATOM 0 HB3 ALA A 13 117.157 -1.791 -0.273 1.00 0.00 H new ATOM 218 N VAL A 14 115.437 -4.345 -0.486 1.00 0.00 N ATOM 219 CA VAL A 14 114.277 -4.970 0.136 1.00 0.00 C ATOM 220 C VAL A 14 114.453 -6.483 0.235 1.00 0.00 C ATOM 221 O VAL A 14 114.056 -7.097 1.225 1.00 0.00 O ATOM 222 CB VAL A 14 112.986 -4.644 -0.635 1.00 0.00 C ATOM 223 CG1 VAL A 14 112.827 -3.141 -0.776 1.00 0.00 C ATOM 224 CG2 VAL A 14 112.983 -5.312 -2.000 1.00 0.00 C ATOM 0 H VAL A 14 115.232 -3.798 -1.322 1.00 0.00 H new ATOM 0 HA VAL A 14 114.193 -4.561 1.143 1.00 0.00 H new ATOM 0 HB VAL A 14 112.140 -5.035 -0.069 1.00 0.00 H new ATOM 0 HG11 VAL A 14 111.910 -2.922 -1.323 1.00 0.00 H new ATOM 0 HG12 VAL A 14 112.777 -2.686 0.213 1.00 0.00 H new ATOM 0 HG13 VAL A 14 113.680 -2.734 -1.319 1.00 0.00 H new ATOM 0 HG21 VAL A 14 112.060 -5.065 -2.524 1.00 0.00 H new ATOM 0 HG22 VAL A 14 113.835 -4.958 -2.580 1.00 0.00 H new ATOM 0 HG23 VAL A 14 113.052 -6.393 -1.876 1.00 0.00 H new ATOM 234 N GLN A 15 115.080 -7.076 -0.775 1.00 0.00 N ATOM 235 CA GLN A 15 115.329 -8.510 -0.780 1.00 0.00 C ATOM 236 C GLN A 15 116.251 -8.862 0.371 1.00 0.00 C ATOM 237 O GLN A 15 116.044 -9.850 1.076 1.00 0.00 O ATOM 238 CB GLN A 15 115.953 -8.942 -2.110 1.00 0.00 C ATOM 239 CG GLN A 15 115.173 -8.475 -3.327 1.00 0.00 C ATOM 240 CD GLN A 15 115.866 -8.816 -4.631 1.00 0.00 C ATOM 241 OE1 GLN A 15 116.730 -9.692 -4.676 1.00 0.00 O ATOM 242 NE2 GLN A 15 115.491 -8.124 -5.700 1.00 0.00 N ATOM 0 H GLN A 15 115.424 -6.585 -1.600 1.00 0.00 H new ATOM 0 HA GLN A 15 114.383 -9.038 -0.661 1.00 0.00 H new ATOM 0 HB2 GLN A 15 116.969 -8.552 -2.169 1.00 0.00 H new ATOM 0 HB3 GLN A 15 116.027 -10.029 -2.131 1.00 0.00 H new ATOM 0 HG2 GLN A 15 114.183 -8.931 -3.316 1.00 0.00 H new ATOM 0 HG3 GLN A 15 115.028 -7.396 -3.269 1.00 0.00 H new ATOM 0 HE21 GLN A 15 114.771 -7.407 -5.616 1.00 0.00 H new ATOM 0 HE22 GLN A 15 115.923 -8.310 -6.605 1.00 0.00 H new ATOM 251 N ALA A 16 117.253 -8.016 0.576 1.00 0.00 N ATOM 252 CA ALA A 16 118.194 -8.198 1.663 1.00 0.00 C ATOM 253 C ALA A 16 117.489 -7.927 2.978 1.00 0.00 C ATOM 254 O ALA A 16 117.824 -8.508 4.011 1.00 0.00 O ATOM 255 CB ALA A 16 119.379 -7.272 1.487 1.00 0.00 C ATOM 0 H ALA A 16 117.431 -7.195 -0.002 1.00 0.00 H new ATOM 0 HA ALA A 16 118.565 -9.223 1.662 1.00 0.00 H new ATOM 0 HB1 ALA A 16 120.080 -7.417 2.309 1.00 0.00 H new ATOM 0 HB2 ALA A 16 119.877 -7.493 0.543 1.00 0.00 H new ATOM 0 HB3 ALA A 16 119.035 -6.238 1.482 1.00 0.00 H new ATOM 261 N LEU A 17 116.481 -7.057 2.923 1.00 0.00 N ATOM 262 CA LEU A 17 115.699 -6.735 4.101 1.00 0.00 C ATOM 263 C LEU A 17 114.994 -7.993 4.572 1.00 0.00 C ATOM 264 O LEU A 17 114.769 -8.191 5.766 1.00 0.00 O ATOM 265 CB LEU A 17 114.681 -5.636 3.794 1.00 0.00 C ATOM 266 CG LEU A 17 114.786 -4.389 4.674 1.00 0.00 C ATOM 267 CD1 LEU A 17 114.106 -3.206 4.007 1.00 0.00 C ATOM 268 CD2 LEU A 17 114.180 -4.654 6.044 1.00 0.00 C ATOM 0 H LEU A 17 116.193 -6.568 2.076 1.00 0.00 H new ATOM 0 HA LEU A 17 116.359 -6.364 4.885 1.00 0.00 H new ATOM 0 HB2 LEU A 17 114.796 -5.337 2.752 1.00 0.00 H new ATOM 0 HB3 LEU A 17 113.679 -6.052 3.898 1.00 0.00 H new ATOM 0 HG LEU A 17 115.841 -4.146 4.805 1.00 0.00 H new ATOM 0 HD11 LEU A 17 114.191 -2.329 4.648 1.00 0.00 H new ATOM 0 HD12 LEU A 17 114.585 -3.004 3.049 1.00 0.00 H new ATOM 0 HD13 LEU A 17 113.053 -3.436 3.845 1.00 0.00 H new ATOM 0 HD21 LEU A 17 114.263 -3.757 6.658 1.00 0.00 H new ATOM 0 HD22 LEU A 17 113.129 -4.921 5.932 1.00 0.00 H new ATOM 0 HD23 LEU A 17 114.713 -5.474 6.525 1.00 0.00 H new ATOM 280 N TYR A 18 114.665 -8.854 3.612 1.00 0.00 N ATOM 281 CA TYR A 18 114.005 -10.117 3.917 1.00 0.00 C ATOM 282 C TYR A 18 114.949 -11.028 4.700 1.00 0.00 C ATOM 283 O TYR A 18 114.527 -11.762 5.592 1.00 0.00 O ATOM 284 CB TYR A 18 113.556 -10.809 2.628 1.00 0.00 C ATOM 285 CG TYR A 18 112.773 -12.081 2.863 1.00 0.00 C ATOM 286 CD1 TYR A 18 112.096 -12.292 4.058 1.00 0.00 C ATOM 287 CD2 TYR A 18 112.711 -13.071 1.891 1.00 0.00 C ATOM 288 CE1 TYR A 18 111.380 -13.453 4.276 1.00 0.00 C ATOM 289 CE2 TYR A 18 111.998 -14.235 2.102 1.00 0.00 C ATOM 290 CZ TYR A 18 111.334 -14.422 3.296 1.00 0.00 C ATOM 291 OH TYR A 18 110.622 -15.580 3.510 1.00 0.00 O ATOM 0 H TYR A 18 114.845 -8.699 2.620 1.00 0.00 H new ATOM 0 HA TYR A 18 113.125 -9.911 4.527 1.00 0.00 H new ATOM 0 HB2 TYR A 18 112.944 -10.118 2.049 1.00 0.00 H new ATOM 0 HB3 TYR A 18 114.434 -11.039 2.025 1.00 0.00 H new ATOM 0 HD1 TYR A 18 112.130 -11.536 4.829 1.00 0.00 H new ATOM 0 HD2 TYR A 18 113.229 -12.928 0.954 1.00 0.00 H new ATOM 0 HE1 TYR A 18 110.858 -13.601 5.210 1.00 0.00 H new ATOM 0 HE2 TYR A 18 111.961 -14.995 1.336 1.00 0.00 H new ATOM 0 HH TYR A 18 110.691 -16.157 2.721 1.00 0.00 H new ATOM 301 N SER A 19 116.231 -10.966 4.351 1.00 0.00 N ATOM 302 CA SER A 19 117.257 -11.773 5.007 1.00 0.00 C ATOM 303 C SER A 19 117.328 -11.470 6.502 1.00 0.00 C ATOM 304 O SER A 19 117.664 -12.340 7.306 1.00 0.00 O ATOM 305 CB SER A 19 118.620 -11.523 4.361 1.00 0.00 C ATOM 306 OG SER A 19 119.466 -12.652 4.500 1.00 0.00 O ATOM 0 H SER A 19 116.587 -10.360 3.611 1.00 0.00 H new ATOM 0 HA SER A 19 116.987 -12.822 4.884 1.00 0.00 H new ATOM 0 HB2 SER A 19 118.488 -11.292 3.304 1.00 0.00 H new ATOM 0 HB3 SER A 19 119.090 -10.654 4.821 1.00 0.00 H new ATOM 0 HG SER A 19 120.331 -12.467 4.077 1.00 0.00 H new ATOM 312 N TRP A 20 117.023 -10.229 6.866 1.00 0.00 N ATOM 313 CA TRP A 20 117.066 -9.805 8.262 1.00 0.00 C ATOM 314 C TRP A 20 116.120 -10.642 9.115 1.00 0.00 C ATOM 315 O TRP A 20 116.472 -11.063 10.218 1.00 0.00 O ATOM 316 CB TRP A 20 116.676 -8.330 8.370 1.00 0.00 C ATOM 317 CG TRP A 20 117.336 -7.614 9.508 1.00 0.00 C ATOM 318 CD1 TRP A 20 118.488 -7.970 10.148 1.00 0.00 C ATOM 319 CD2 TRP A 20 116.879 -6.412 10.141 1.00 0.00 C ATOM 320 NE1 TRP A 20 118.777 -7.061 11.138 1.00 0.00 N ATOM 321 CE2 TRP A 20 117.805 -6.094 11.153 1.00 0.00 C ATOM 322 CE3 TRP A 20 115.778 -5.573 9.947 1.00 0.00 C ATOM 323 CZ2 TRP A 20 117.661 -4.971 11.967 1.00 0.00 C ATOM 324 CZ3 TRP A 20 115.636 -4.461 10.756 1.00 0.00 C ATOM 325 CH2 TRP A 20 116.574 -4.169 11.754 1.00 0.00 C ATOM 0 H TRP A 20 116.743 -9.497 6.213 1.00 0.00 H new ATOM 0 HA TRP A 20 118.083 -9.945 8.628 1.00 0.00 H new ATOM 0 HB2 TRP A 20 116.933 -7.826 7.438 1.00 0.00 H new ATOM 0 HB3 TRP A 20 115.595 -8.257 8.485 1.00 0.00 H new ATOM 0 HD1 TRP A 20 119.085 -8.838 9.911 1.00 0.00 H new ATOM 0 HE1 TRP A 20 119.584 -7.100 11.761 1.00 0.00 H new ATOM 0 HE3 TRP A 20 115.051 -5.790 9.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 118.382 -4.743 12.738 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 114.788 -3.807 10.616 1.00 0.00 H new ATOM 0 HH2 TRP A 20 116.436 -3.292 12.369 1.00 0.00 H new ATOM 336 N GLN A 21 114.920 -10.881 8.602 1.00 0.00 N ATOM 337 CA GLN A 21 113.929 -11.670 9.323 1.00 0.00 C ATOM 338 C GLN A 21 114.454 -13.073 9.613 1.00 0.00 C ATOM 339 O GLN A 21 114.387 -13.550 10.746 1.00 0.00 O ATOM 340 CB GLN A 21 112.630 -11.755 8.516 1.00 0.00 C ATOM 341 CG GLN A 21 111.677 -12.833 9.006 1.00 0.00 C ATOM 342 CD GLN A 21 110.358 -12.268 9.495 1.00 0.00 C ATOM 343 OE1 GLN A 21 110.299 -11.611 10.535 1.00 0.00 O ATOM 344 NE2 GLN A 21 109.290 -12.522 8.748 1.00 0.00 N ATOM 0 H GLN A 21 114.610 -10.541 7.692 1.00 0.00 H new ATOM 0 HA GLN A 21 113.728 -11.175 10.273 1.00 0.00 H new ATOM 0 HB2 GLN A 21 112.124 -10.790 8.555 1.00 0.00 H new ATOM 0 HB3 GLN A 21 112.874 -11.945 7.471 1.00 0.00 H new ATOM 0 HG2 GLN A 21 111.488 -13.540 8.198 1.00 0.00 H new ATOM 0 HG3 GLN A 21 112.150 -13.391 9.814 1.00 0.00 H new ATOM 0 HE21 GLN A 21 109.384 -13.071 7.893 1.00 0.00 H new ATOM 0 HE22 GLN A 21 108.375 -12.168 9.029 1.00 0.00 H new ATOM 353 N LEU A 22 114.971 -13.732 8.580 1.00 0.00 N ATOM 354 CA LEU A 22 115.501 -15.084 8.722 1.00 0.00 C ATOM 355 C LEU A 22 116.897 -15.081 9.344 1.00 0.00 C ATOM 356 O LEU A 22 117.167 -15.829 10.283 1.00 0.00 O ATOM 357 CB LEU A 22 115.544 -15.779 7.360 1.00 0.00 C ATOM 358 CG LEU A 22 114.337 -15.513 6.458 1.00 0.00 C ATOM 359 CD1 LEU A 22 114.413 -16.362 5.200 1.00 0.00 C ATOM 360 CD2 LEU A 22 113.042 -15.784 7.210 1.00 0.00 C ATOM 0 H LEU A 22 115.034 -13.352 7.636 1.00 0.00 H new ATOM 0 HA LEU A 22 114.835 -15.630 9.391 1.00 0.00 H new ATOM 0 HB2 LEU A 22 116.446 -15.463 6.836 1.00 0.00 H new ATOM 0 HB3 LEU A 22 115.629 -16.854 7.520 1.00 0.00 H new ATOM 0 HG LEU A 22 114.351 -14.464 6.163 1.00 0.00 H new ATOM 0 HD11 LEU A 22 113.546 -16.159 4.571 1.00 0.00 H new ATOM 0 HD12 LEU A 22 115.324 -16.120 4.652 1.00 0.00 H new ATOM 0 HD13 LEU A 22 114.424 -17.417 5.473 1.00 0.00 H new ATOM 0 HD21 LEU A 22 112.193 -15.590 6.554 1.00 0.00 H new ATOM 0 HD22 LEU A 22 113.020 -16.825 7.534 1.00 0.00 H new ATOM 0 HD23 LEU A 22 112.984 -15.132 8.081 1.00 0.00 H new ATOM 372 N SER A 23 117.782 -14.248 8.806 1.00 0.00 N ATOM 373 CA SER A 23 119.153 -14.165 9.306 1.00 0.00 C ATOM 374 C SER A 23 119.236 -13.329 10.579 1.00 0.00 C ATOM 375 O SER A 23 119.842 -13.746 11.566 1.00 0.00 O ATOM 376 CB SER A 23 120.068 -13.571 8.234 1.00 0.00 C ATOM 377 OG SER A 23 121.368 -14.132 8.305 1.00 0.00 O ATOM 0 H SER A 23 117.577 -13.622 8.027 1.00 0.00 H new ATOM 0 HA SER A 23 119.481 -15.176 9.546 1.00 0.00 H new ATOM 0 HB2 SER A 23 119.643 -13.754 7.247 1.00 0.00 H new ATOM 0 HB3 SER A 23 120.128 -12.490 8.360 1.00 0.00 H new ATOM 0 HG SER A 23 121.933 -13.737 7.608 1.00 0.00 H new ATOM 383 N GLN A 24 118.626 -12.150 10.553 1.00 0.00 N ATOM 384 CA GLN A 24 118.637 -11.260 11.708 1.00 0.00 C ATOM 385 C GLN A 24 120.062 -10.838 12.063 1.00 0.00 C ATOM 386 O GLN A 24 120.304 -10.272 13.129 1.00 0.00 O ATOM 387 CB GLN A 24 117.982 -11.944 12.910 1.00 0.00 C ATOM 388 CG GLN A 24 117.007 -13.045 12.527 1.00 0.00 C ATOM 389 CD GLN A 24 116.167 -13.512 13.699 1.00 0.00 C ATOM 390 OE1 GLN A 24 116.452 -13.186 14.852 1.00 0.00 O ATOM 391 NE2 GLN A 24 115.124 -14.282 13.410 1.00 0.00 N ATOM 0 H GLN A 24 118.118 -11.788 9.746 1.00 0.00 H new ATOM 0 HA GLN A 24 118.069 -10.367 11.450 1.00 0.00 H new ATOM 0 HB2 GLN A 24 118.760 -12.365 13.547 1.00 0.00 H new ATOM 0 HB3 GLN A 24 117.457 -11.195 13.502 1.00 0.00 H new ATOM 0 HG2 GLN A 24 116.351 -12.685 11.735 1.00 0.00 H new ATOM 0 HG3 GLN A 24 117.561 -13.891 12.122 1.00 0.00 H new ATOM 0 HE21 GLN A 24 114.925 -14.528 12.440 1.00 0.00 H new ATOM 0 HE22 GLN A 24 114.522 -14.628 14.158 1.00 0.00 H new ATOM 400 N ASN A 25 121.001 -11.113 11.161 1.00 0.00 N ATOM 401 CA ASN A 25 122.399 -10.759 11.379 1.00 0.00 C ATOM 402 C ASN A 25 122.617 -9.267 11.159 1.00 0.00 C ATOM 403 O ASN A 25 122.198 -8.715 10.143 1.00 0.00 O ATOM 404 CB ASN A 25 123.302 -11.559 10.439 1.00 0.00 C ATOM 405 CG ASN A 25 124.689 -11.773 11.014 1.00 0.00 C ATOM 406 OD1 ASN A 25 125.014 -12.858 11.495 1.00 0.00 O ATOM 407 ND2 ASN A 25 125.516 -10.735 10.965 1.00 0.00 N ATOM 0 H ASN A 25 120.818 -11.580 10.273 1.00 0.00 H new ATOM 0 HA ASN A 25 122.655 -11.001 12.411 1.00 0.00 H new ATOM 0 HB2 ASN A 25 122.843 -12.526 10.234 1.00 0.00 H new ATOM 0 HB3 ASN A 25 123.383 -11.037 9.486 1.00 0.00 H new ATOM 0 HD21 ASN A 25 126.463 -10.819 11.335 1.00 0.00 H new ATOM 0 HD22 ASN A 25 125.204 -9.854 10.557 1.00 0.00 H new ATOM 414 N ASP A 26 123.271 -8.621 12.122 1.00 0.00 N ATOM 415 CA ASP A 26 123.540 -7.190 12.039 1.00 0.00 C ATOM 416 C ASP A 26 122.384 -6.474 11.340 1.00 0.00 C ATOM 417 O ASP A 26 121.307 -6.334 11.917 1.00 0.00 O ATOM 418 CB ASP A 26 124.861 -6.940 11.307 1.00 0.00 C ATOM 419 CG ASP A 26 126.043 -7.571 12.017 1.00 0.00 C ATOM 420 OD1 ASP A 26 126.355 -7.142 13.148 1.00 0.00 O ATOM 421 OD2 ASP A 26 126.656 -8.495 11.441 1.00 0.00 O ATOM 0 H ASP A 26 123.624 -9.067 12.969 1.00 0.00 H new ATOM 0 HA ASP A 26 123.629 -6.788 13.048 1.00 0.00 H new ATOM 0 HB2 ASP A 26 124.794 -7.339 10.295 1.00 0.00 H new ATOM 0 HB3 ASP A 26 125.026 -5.866 11.217 1.00 0.00 H new ATOM 426 N ILE A 27 122.598 -6.046 10.093 1.00 0.00 N ATOM 427 CA ILE A 27 121.552 -5.375 9.327 1.00 0.00 C ATOM 428 C ILE A 27 122.130 -4.432 8.276 1.00 0.00 C ATOM 429 O ILE A 27 121.904 -4.611 7.079 1.00 0.00 O ATOM 430 CB ILE A 27 120.598 -4.573 10.232 1.00 0.00 C ATOM 431 CG1 ILE A 27 119.754 -3.612 9.393 1.00 0.00 C ATOM 432 CG2 ILE A 27 121.384 -3.812 11.290 1.00 0.00 C ATOM 433 CD1 ILE A 27 118.860 -4.312 8.393 1.00 0.00 C ATOM 0 H ILE A 27 123.483 -6.153 9.597 1.00 0.00 H new ATOM 0 HA ILE A 27 120.995 -6.170 8.831 1.00 0.00 H new ATOM 0 HB ILE A 27 119.929 -5.269 10.737 1.00 0.00 H new ATOM 0 HG12 ILE A 27 119.138 -3.006 10.058 1.00 0.00 H new ATOM 0 HG13 ILE A 27 120.416 -2.929 8.861 1.00 0.00 H new ATOM 0 HG21 ILE A 27 120.695 -3.250 11.921 1.00 0.00 H new ATOM 0 HG22 ILE A 27 121.946 -4.517 11.903 1.00 0.00 H new ATOM 0 HG23 ILE A 27 122.075 -3.123 10.804 1.00 0.00 H new ATOM 0 HD11 ILE A 27 118.290 -3.571 7.833 1.00 0.00 H new ATOM 0 HD12 ILE A 27 119.471 -4.896 7.705 1.00 0.00 H new ATOM 0 HD13 ILE A 27 118.173 -4.975 8.920 1.00 0.00 H new ATOM 445 N ALA A 28 122.865 -3.425 8.721 1.00 0.00 N ATOM 446 CA ALA A 28 123.453 -2.466 7.801 1.00 0.00 C ATOM 447 C ALA A 28 124.356 -3.163 6.792 1.00 0.00 C ATOM 448 O ALA A 28 124.216 -2.981 5.584 1.00 0.00 O ATOM 449 CB ALA A 28 124.231 -1.407 8.568 1.00 0.00 C ATOM 0 H ALA A 28 123.067 -3.252 9.706 1.00 0.00 H new ATOM 0 HA ALA A 28 122.646 -1.980 7.253 1.00 0.00 H new ATOM 0 HB1 ALA A 28 124.666 -0.695 7.866 1.00 0.00 H new ATOM 0 HB2 ALA A 28 123.559 -0.882 9.247 1.00 0.00 H new ATOM 0 HB3 ALA A 28 125.026 -1.884 9.141 1.00 0.00 H new ATOM 455 N ASP A 29 125.290 -3.951 7.304 1.00 0.00 N ATOM 456 CA ASP A 29 126.234 -4.673 6.464 1.00 0.00 C ATOM 457 C ASP A 29 125.599 -5.862 5.738 1.00 0.00 C ATOM 458 O ASP A 29 126.052 -6.232 4.657 1.00 0.00 O ATOM 459 CB ASP A 29 127.414 -5.159 7.307 1.00 0.00 C ATOM 460 CG ASP A 29 128.592 -4.206 7.258 1.00 0.00 C ATOM 461 OD1 ASP A 29 128.590 -3.304 6.394 1.00 0.00 O ATOM 462 OD2 ASP A 29 129.517 -4.363 8.083 1.00 0.00 O ATOM 0 H ASP A 29 125.415 -4.107 8.304 1.00 0.00 H new ATOM 0 HA ASP A 29 126.575 -3.974 5.700 1.00 0.00 H new ATOM 0 HB2 ASP A 29 127.092 -5.281 8.341 1.00 0.00 H new ATOM 0 HB3 ASP A 29 127.730 -6.141 6.953 1.00 0.00 H new ATOM 467 N VAL A 30 124.593 -6.493 6.348 1.00 0.00 N ATOM 468 CA VAL A 30 123.969 -7.678 5.748 1.00 0.00 C ATOM 469 C VAL A 30 123.111 -7.384 4.521 1.00 0.00 C ATOM 470 O VAL A 30 123.291 -8.006 3.475 1.00 0.00 O ATOM 471 CB VAL A 30 123.072 -8.430 6.758 1.00 0.00 C ATOM 472 CG1 VAL A 30 121.945 -7.543 7.240 1.00 0.00 C ATOM 473 CG2 VAL A 30 122.510 -9.700 6.127 1.00 0.00 C ATOM 0 H VAL A 30 124.196 -6.210 7.244 1.00 0.00 H new ATOM 0 HA VAL A 30 124.820 -8.287 5.442 1.00 0.00 H new ATOM 0 HB VAL A 30 123.684 -8.706 7.617 1.00 0.00 H new ATOM 0 HG11 VAL A 30 121.327 -8.093 7.950 1.00 0.00 H new ATOM 0 HG12 VAL A 30 122.360 -6.661 7.728 1.00 0.00 H new ATOM 0 HG13 VAL A 30 121.335 -7.235 6.390 1.00 0.00 H new ATOM 0 HG21 VAL A 30 121.881 -10.218 6.851 1.00 0.00 H new ATOM 0 HG22 VAL A 30 121.916 -9.439 5.251 1.00 0.00 H new ATOM 0 HG23 VAL A 30 123.331 -10.352 5.828 1.00 0.00 H new ATOM 483 N GLU A 31 122.152 -6.477 4.652 1.00 0.00 N ATOM 484 CA GLU A 31 121.250 -6.194 3.546 1.00 0.00 C ATOM 485 C GLU A 31 121.990 -5.806 2.279 1.00 0.00 C ATOM 486 O GLU A 31 121.784 -6.400 1.221 1.00 0.00 O ATOM 487 CB GLU A 31 120.248 -5.098 3.930 1.00 0.00 C ATOM 488 CG GLU A 31 120.347 -3.822 3.099 1.00 0.00 C ATOM 489 CD GLU A 31 120.011 -4.025 1.641 1.00 0.00 C ATOM 490 OE1 GLU A 31 119.031 -4.731 1.365 1.00 0.00 O ATOM 491 OE2 GLU A 31 120.731 -3.479 0.779 1.00 0.00 O ATOM 0 H GLU A 31 121.981 -5.933 5.498 1.00 0.00 H new ATOM 0 HA GLU A 31 120.709 -7.117 3.337 1.00 0.00 H new ATOM 0 HB2 GLU A 31 119.239 -5.499 3.836 1.00 0.00 H new ATOM 0 HB3 GLU A 31 120.394 -4.844 4.980 1.00 0.00 H new ATOM 0 HG2 GLU A 31 119.675 -3.072 3.517 1.00 0.00 H new ATOM 0 HG3 GLU A 31 121.358 -3.424 3.179 1.00 0.00 H new ATOM 498 N TYR A 32 122.833 -4.803 2.385 1.00 0.00 N ATOM 499 CA TYR A 32 123.586 -4.325 1.245 1.00 0.00 C ATOM 500 C TYR A 32 124.638 -5.341 0.813 1.00 0.00 C ATOM 501 O TYR A 32 125.058 -5.355 -0.345 1.00 0.00 O ATOM 502 CB TYR A 32 124.194 -2.964 1.556 1.00 0.00 C ATOM 503 CG TYR A 32 123.149 -1.871 1.682 1.00 0.00 C ATOM 504 CD1 TYR A 32 122.665 -1.209 0.561 1.00 0.00 C ATOM 505 CD2 TYR A 32 122.646 -1.500 2.924 1.00 0.00 C ATOM 506 CE1 TYR A 32 121.713 -0.210 0.676 1.00 0.00 C ATOM 507 CE2 TYR A 32 121.698 -0.502 3.041 1.00 0.00 C ATOM 508 CZ TYR A 32 121.236 0.138 1.917 1.00 0.00 C ATOM 509 OH TYR A 32 120.289 1.130 2.033 1.00 0.00 O ATOM 0 H TYR A 32 123.015 -4.300 3.253 1.00 0.00 H new ATOM 0 HA TYR A 32 122.908 -4.203 0.400 1.00 0.00 H new ATOM 0 HB2 TYR A 32 124.761 -3.028 2.485 1.00 0.00 H new ATOM 0 HB3 TYR A 32 124.900 -2.697 0.769 1.00 0.00 H new ATOM 0 HD1 TYR A 32 123.037 -1.478 -0.417 1.00 0.00 H new ATOM 0 HD2 TYR A 32 123.002 -2.000 3.812 1.00 0.00 H new ATOM 0 HE1 TYR A 32 121.347 0.294 -0.206 1.00 0.00 H new ATOM 0 HE2 TYR A 32 121.321 -0.226 4.015 1.00 0.00 H new ATOM 0 HH TYR A 32 119.394 0.737 1.963 1.00 0.00 H new ATOM 519 N GLN A 33 125.058 -6.196 1.743 1.00 0.00 N ATOM 520 CA GLN A 33 126.057 -7.213 1.438 1.00 0.00 C ATOM 521 C GLN A 33 125.536 -8.164 0.367 1.00 0.00 C ATOM 522 O GLN A 33 126.303 -8.697 -0.434 1.00 0.00 O ATOM 523 CB GLN A 33 126.422 -7.994 2.699 1.00 0.00 C ATOM 524 CG GLN A 33 127.760 -7.592 3.298 1.00 0.00 C ATOM 525 CD GLN A 33 128.925 -8.333 2.672 1.00 0.00 C ATOM 526 OE1 GLN A 33 129.846 -7.721 2.131 1.00 0.00 O ATOM 527 NE2 GLN A 33 128.890 -9.659 2.742 1.00 0.00 N ATOM 0 H GLN A 33 124.724 -6.204 2.707 1.00 0.00 H new ATOM 0 HA GLN A 33 126.951 -6.716 1.061 1.00 0.00 H new ATOM 0 HB2 GLN A 33 125.641 -7.848 3.445 1.00 0.00 H new ATOM 0 HB3 GLN A 33 126.444 -9.058 2.464 1.00 0.00 H new ATOM 0 HG2 GLN A 33 127.904 -6.519 3.168 1.00 0.00 H new ATOM 0 HG3 GLN A 33 127.746 -7.784 4.371 1.00 0.00 H new ATOM 0 HE21 GLN A 33 128.107 -10.125 3.200 1.00 0.00 H new ATOM 0 HE22 GLN A 33 129.646 -10.211 2.338 1.00 0.00 H new ATOM 536 N PHE A 34 124.222 -8.363 0.356 1.00 0.00 N ATOM 537 CA PHE A 34 123.585 -9.240 -0.620 1.00 0.00 C ATOM 538 C PHE A 34 123.898 -8.776 -2.033 1.00 0.00 C ATOM 539 O PHE A 34 124.147 -9.582 -2.929 1.00 0.00 O ATOM 540 CB PHE A 34 122.074 -9.248 -0.411 1.00 0.00 C ATOM 541 CG PHE A 34 121.302 -9.676 -1.627 1.00 0.00 C ATOM 542 CD1 PHE A 34 121.771 -10.697 -2.437 1.00 0.00 C ATOM 543 CD2 PHE A 34 120.108 -9.056 -1.960 1.00 0.00 C ATOM 544 CE1 PHE A 34 121.063 -11.093 -3.556 1.00 0.00 C ATOM 545 CE2 PHE A 34 119.396 -9.448 -3.078 1.00 0.00 C ATOM 546 CZ PHE A 34 119.874 -10.468 -3.876 1.00 0.00 C ATOM 0 H PHE A 34 123.576 -7.927 1.014 1.00 0.00 H new ATOM 0 HA PHE A 34 123.974 -10.249 -0.482 1.00 0.00 H new ATOM 0 HB2 PHE A 34 121.833 -9.916 0.416 1.00 0.00 H new ATOM 0 HB3 PHE A 34 121.751 -8.249 -0.118 1.00 0.00 H new ATOM 0 HD1 PHE A 34 122.700 -11.189 -2.191 1.00 0.00 H new ATOM 0 HD2 PHE A 34 119.730 -8.258 -1.339 1.00 0.00 H new ATOM 0 HE1 PHE A 34 121.439 -11.890 -4.180 1.00 0.00 H new ATOM 0 HE2 PHE A 34 118.467 -8.957 -3.327 1.00 0.00 H new ATOM 0 HZ PHE A 34 119.319 -10.777 -4.749 1.00 0.00 H new ATOM 556 N LEU A 35 123.878 -7.465 -2.216 1.00 0.00 N ATOM 557 CA LEU A 35 124.153 -6.866 -3.515 1.00 0.00 C ATOM 558 C LEU A 35 125.536 -7.275 -4.014 1.00 0.00 C ATOM 559 O LEU A 35 125.826 -7.199 -5.208 1.00 0.00 O ATOM 560 CB LEU A 35 124.056 -5.341 -3.425 1.00 0.00 C ATOM 561 CG LEU A 35 122.806 -4.810 -2.717 1.00 0.00 C ATOM 562 CD1 LEU A 35 123.033 -3.390 -2.220 1.00 0.00 C ATOM 563 CD2 LEU A 35 121.605 -4.866 -3.650 1.00 0.00 C ATOM 0 H LEU A 35 123.673 -6.791 -1.478 1.00 0.00 H new ATOM 0 HA LEU A 35 123.409 -7.227 -4.225 1.00 0.00 H new ATOM 0 HB2 LEU A 35 124.937 -4.967 -2.903 1.00 0.00 H new ATOM 0 HB3 LEU A 35 124.085 -4.930 -4.434 1.00 0.00 H new ATOM 0 HG LEU A 35 122.603 -5.444 -1.854 1.00 0.00 H new ATOM 0 HD11 LEU A 35 122.133 -3.031 -1.720 1.00 0.00 H new ATOM 0 HD12 LEU A 35 123.867 -3.379 -1.518 1.00 0.00 H new ATOM 0 HD13 LEU A 35 123.262 -2.741 -3.065 1.00 0.00 H new ATOM 0 HD21 LEU A 35 120.724 -4.485 -3.133 1.00 0.00 H new ATOM 0 HD22 LEU A 35 121.800 -4.255 -4.531 1.00 0.00 H new ATOM 0 HD23 LEU A 35 121.429 -5.898 -3.955 1.00 0.00 H new ATOM 575 N ALA A 36 126.385 -7.715 -3.092 1.00 0.00 N ATOM 576 CA ALA A 36 127.735 -8.142 -3.439 1.00 0.00 C ATOM 577 C ALA A 36 127.717 -9.490 -4.153 1.00 0.00 C ATOM 578 O ALA A 36 128.734 -9.934 -4.687 1.00 0.00 O ATOM 579 CB ALA A 36 128.601 -8.216 -2.191 1.00 0.00 C ATOM 0 H ALA A 36 126.162 -7.785 -2.099 1.00 0.00 H new ATOM 0 HA ALA A 36 128.160 -7.405 -4.120 1.00 0.00 H new ATOM 0 HB1 ALA A 36 129.606 -8.536 -2.464 1.00 0.00 H new ATOM 0 HB2 ALA A 36 128.648 -7.233 -1.722 1.00 0.00 H new ATOM 0 HB3 ALA A 36 128.170 -8.932 -1.491 1.00 0.00 H new ATOM 585 N GLU A 37 126.555 -10.136 -4.159 1.00 0.00 N ATOM 586 CA GLU A 37 126.404 -11.435 -4.807 1.00 0.00 C ATOM 587 C GLU A 37 126.203 -11.276 -6.311 1.00 0.00 C ATOM 588 O GLU A 37 126.939 -11.856 -7.109 1.00 0.00 O ATOM 589 CB GLU A 37 125.222 -12.196 -4.201 1.00 0.00 C ATOM 590 CG GLU A 37 125.633 -13.254 -3.191 1.00 0.00 C ATOM 591 CD GLU A 37 124.588 -13.469 -2.115 1.00 0.00 C ATOM 592 OE1 GLU A 37 123.485 -13.951 -2.446 1.00 0.00 O ATOM 593 OE2 GLU A 37 124.874 -13.157 -0.939 1.00 0.00 O ATOM 0 H GLU A 37 125.704 -9.781 -3.723 1.00 0.00 H new ATOM 0 HA GLU A 37 127.319 -12.003 -4.640 1.00 0.00 H new ATOM 0 HB2 GLU A 37 124.552 -11.485 -3.717 1.00 0.00 H new ATOM 0 HB3 GLU A 37 124.657 -12.671 -5.003 1.00 0.00 H new ATOM 0 HG2 GLU A 37 125.814 -14.195 -3.710 1.00 0.00 H new ATOM 0 HG3 GLU A 37 126.574 -12.961 -2.725 1.00 0.00 H new ATOM 600 N GLN A 38 125.203 -10.486 -6.691 1.00 0.00 N ATOM 601 CA GLN A 38 124.908 -10.253 -8.101 1.00 0.00 C ATOM 602 C GLN A 38 125.820 -9.174 -8.677 1.00 0.00 C ATOM 603 O GLN A 38 125.358 -8.240 -9.332 1.00 0.00 O ATOM 604 CB GLN A 38 123.443 -9.846 -8.275 1.00 0.00 C ATOM 605 CG GLN A 38 122.465 -10.988 -8.059 1.00 0.00 C ATOM 606 CD GLN A 38 121.738 -11.382 -9.330 1.00 0.00 C ATOM 607 OE1 GLN A 38 121.777 -10.663 -10.329 1.00 0.00 O ATOM 608 NE2 GLN A 38 121.071 -12.529 -9.300 1.00 0.00 N ATOM 0 H GLN A 38 124.584 -9.997 -6.044 1.00 0.00 H new ATOM 0 HA GLN A 38 125.088 -11.181 -8.643 1.00 0.00 H new ATOM 0 HB2 GLN A 38 123.212 -9.043 -7.575 1.00 0.00 H new ATOM 0 HB3 GLN A 38 123.303 -9.444 -9.278 1.00 0.00 H new ATOM 0 HG2 GLN A 38 123.002 -11.853 -7.669 1.00 0.00 H new ATOM 0 HG3 GLN A 38 121.736 -10.699 -7.303 1.00 0.00 H new ATOM 0 HE21 GLN A 38 121.065 -13.094 -8.451 1.00 0.00 H new ATOM 0 HE22 GLN A 38 120.564 -12.846 -10.126 1.00 0.00 H new ATOM 617 N ASP A 39 127.118 -9.312 -8.428 1.00 0.00 N ATOM 618 CA ASP A 39 128.100 -8.355 -8.919 1.00 0.00 C ATOM 619 C ASP A 39 127.557 -6.931 -8.876 1.00 0.00 C ATOM 620 O ASP A 39 127.947 -6.086 -9.681 1.00 0.00 O ATOM 621 CB ASP A 39 128.519 -8.706 -10.345 1.00 0.00 C ATOM 622 CG ASP A 39 129.124 -10.092 -10.447 1.00 0.00 C ATOM 623 OD1 ASP A 39 130.078 -10.379 -9.694 1.00 0.00 O ATOM 624 OD2 ASP A 39 128.643 -10.890 -11.278 1.00 0.00 O ATOM 0 H ASP A 39 127.514 -10.081 -7.887 1.00 0.00 H new ATOM 0 HA ASP A 39 128.970 -8.409 -8.265 1.00 0.00 H new ATOM 0 HB2 ASP A 39 127.651 -8.643 -11.001 1.00 0.00 H new ATOM 0 HB3 ASP A 39 129.241 -7.971 -10.700 1.00 0.00 H new ATOM 629 N VAL A 40 126.663 -6.663 -7.928 1.00 0.00 N ATOM 630 CA VAL A 40 126.091 -5.332 -7.791 1.00 0.00 C ATOM 631 C VAL A 40 127.142 -4.353 -7.285 1.00 0.00 C ATOM 632 O VAL A 40 126.953 -3.137 -7.340 1.00 0.00 O ATOM 633 CB VAL A 40 124.884 -5.318 -6.833 1.00 0.00 C ATOM 634 CG1 VAL A 40 124.033 -4.080 -7.066 1.00 0.00 C ATOM 635 CG2 VAL A 40 124.051 -6.582 -6.994 1.00 0.00 C ATOM 0 H VAL A 40 126.323 -7.345 -7.250 1.00 0.00 H new ATOM 0 HA VAL A 40 125.746 -5.030 -8.780 1.00 0.00 H new ATOM 0 HB VAL A 40 125.260 -5.289 -5.810 1.00 0.00 H new ATOM 0 HG11 VAL A 40 123.185 -4.087 -6.381 1.00 0.00 H new ATOM 0 HG12 VAL A 40 124.634 -3.187 -6.891 1.00 0.00 H new ATOM 0 HG13 VAL A 40 123.669 -4.077 -8.093 1.00 0.00 H new ATOM 0 HG21 VAL A 40 123.205 -6.550 -6.308 1.00 0.00 H new ATOM 0 HG22 VAL A 40 123.685 -6.649 -8.019 1.00 0.00 H new ATOM 0 HG23 VAL A 40 124.666 -7.454 -6.771 1.00 0.00 H new ATOM 645 N LYS A 41 128.256 -4.892 -6.798 1.00 0.00 N ATOM 646 CA LYS A 41 129.343 -4.068 -6.292 1.00 0.00 C ATOM 647 C LYS A 41 129.854 -3.139 -7.387 1.00 0.00 C ATOM 648 O LYS A 41 130.182 -1.981 -7.131 1.00 0.00 O ATOM 649 CB LYS A 41 130.483 -4.945 -5.774 1.00 0.00 C ATOM 650 CG LYS A 41 131.126 -4.417 -4.501 1.00 0.00 C ATOM 651 CD LYS A 41 132.349 -5.234 -4.116 1.00 0.00 C ATOM 652 CE LYS A 41 133.279 -5.438 -5.301 1.00 0.00 C ATOM 653 NZ LYS A 41 134.675 -5.726 -4.869 1.00 0.00 N ATOM 0 H LYS A 41 128.427 -5.896 -6.744 1.00 0.00 H new ATOM 0 HA LYS A 41 128.964 -3.466 -5.466 1.00 0.00 H new ATOM 0 HB2 LYS A 41 130.103 -5.950 -5.589 1.00 0.00 H new ATOM 0 HB3 LYS A 41 131.246 -5.030 -6.548 1.00 0.00 H new ATOM 0 HG2 LYS A 41 131.413 -3.375 -4.642 1.00 0.00 H new ATOM 0 HG3 LYS A 41 130.400 -4.441 -3.688 1.00 0.00 H new ATOM 0 HD2 LYS A 41 132.887 -4.730 -3.313 1.00 0.00 H new ATOM 0 HD3 LYS A 41 132.033 -6.203 -3.729 1.00 0.00 H new ATOM 0 HE2 LYS A 41 132.911 -6.261 -5.913 1.00 0.00 H new ATOM 0 HE3 LYS A 41 133.270 -4.546 -5.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 135.277 -5.859 -5.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 135.036 -4.929 -4.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 134.688 -6.591 -4.292 1.00 0.00 H new ATOM 667 N ASP A 42 129.908 -3.655 -8.612 1.00 0.00 N ATOM 668 CA ASP A 42 130.367 -2.866 -9.747 1.00 0.00 C ATOM 669 C ASP A 42 129.499 -1.625 -9.918 1.00 0.00 C ATOM 670 O ASP A 42 129.886 -0.669 -10.589 1.00 0.00 O ATOM 671 CB ASP A 42 130.339 -3.706 -11.026 1.00 0.00 C ATOM 672 CG ASP A 42 131.118 -5.000 -10.885 1.00 0.00 C ATOM 673 OD1 ASP A 42 132.364 -4.939 -10.832 1.00 0.00 O ATOM 674 OD2 ASP A 42 130.482 -6.072 -10.830 1.00 0.00 O ATOM 0 H ASP A 42 129.640 -4.612 -8.842 1.00 0.00 H new ATOM 0 HA ASP A 42 131.393 -2.552 -9.555 1.00 0.00 H new ATOM 0 HB2 ASP A 42 129.305 -3.934 -11.285 1.00 0.00 H new ATOM 0 HB3 ASP A 42 130.753 -3.124 -11.849 1.00 0.00 H new ATOM 679 N VAL A 43 128.322 -1.649 -9.299 1.00 0.00 N ATOM 680 CA VAL A 43 127.394 -0.528 -9.372 1.00 0.00 C ATOM 681 C VAL A 43 127.699 0.500 -8.288 1.00 0.00 C ATOM 682 O VAL A 43 127.195 1.623 -8.322 1.00 0.00 O ATOM 683 CB VAL A 43 125.932 -0.992 -9.221 1.00 0.00 C ATOM 684 CG1 VAL A 43 124.993 -0.043 -9.949 1.00 0.00 C ATOM 685 CG2 VAL A 43 125.761 -2.416 -9.732 1.00 0.00 C ATOM 0 H VAL A 43 127.989 -2.435 -8.740 1.00 0.00 H new ATOM 0 HA VAL A 43 127.522 -0.075 -10.355 1.00 0.00 H new ATOM 0 HB VAL A 43 125.678 -0.980 -8.161 1.00 0.00 H new ATOM 0 HG11 VAL A 43 123.965 -0.387 -9.831 1.00 0.00 H new ATOM 0 HG12 VAL A 43 125.091 0.958 -9.530 1.00 0.00 H new ATOM 0 HG13 VAL A 43 125.249 -0.020 -11.008 1.00 0.00 H new ATOM 0 HG21 VAL A 43 124.721 -2.722 -9.615 1.00 0.00 H new ATOM 0 HG22 VAL A 43 126.036 -2.460 -10.786 1.00 0.00 H new ATOM 0 HG23 VAL A 43 126.403 -3.087 -9.161 1.00 0.00 H new ATOM 695 N ASP A 44 128.527 0.107 -7.325 1.00 0.00 N ATOM 696 CA ASP A 44 128.901 0.991 -6.228 1.00 0.00 C ATOM 697 C ASP A 44 127.770 1.100 -5.211 1.00 0.00 C ATOM 698 O ASP A 44 126.894 1.956 -5.334 1.00 0.00 O ATOM 699 CB ASP A 44 129.259 2.380 -6.762 1.00 0.00 C ATOM 700 CG ASP A 44 130.206 2.319 -7.944 1.00 0.00 C ATOM 701 OD1 ASP A 44 129.799 1.802 -9.006 1.00 0.00 O ATOM 702 OD2 ASP A 44 131.356 2.789 -7.808 1.00 0.00 O ATOM 0 H ASP A 44 128.952 -0.819 -7.283 1.00 0.00 H new ATOM 0 HA ASP A 44 129.773 0.566 -5.732 1.00 0.00 H new ATOM 0 HB2 ASP A 44 128.347 2.899 -7.057 1.00 0.00 H new ATOM 0 HB3 ASP A 44 129.715 2.966 -5.964 1.00 0.00 H new ATOM 707 N VAL A 45 127.793 0.228 -4.208 1.00 0.00 N ATOM 708 CA VAL A 45 126.767 0.230 -3.173 1.00 0.00 C ATOM 709 C VAL A 45 127.379 0.319 -1.782 1.00 0.00 C ATOM 710 O VAL A 45 126.674 0.219 -0.779 1.00 0.00 O ATOM 711 CB VAL A 45 125.898 -1.035 -3.234 1.00 0.00 C ATOM 712 CG1 VAL A 45 124.514 -0.709 -3.776 1.00 0.00 C ATOM 713 CG2 VAL A 45 126.572 -2.110 -4.073 1.00 0.00 C ATOM 0 H VAL A 45 128.510 -0.488 -4.091 1.00 0.00 H new ATOM 0 HA VAL A 45 126.148 1.108 -3.361 1.00 0.00 H new ATOM 0 HB VAL A 45 125.782 -1.421 -2.221 1.00 0.00 H new ATOM 0 HG11 VAL A 45 123.914 -1.618 -3.811 1.00 0.00 H new ATOM 0 HG12 VAL A 45 124.031 0.020 -3.125 1.00 0.00 H new ATOM 0 HG13 VAL A 45 124.605 -0.295 -4.780 1.00 0.00 H new ATOM 0 HG21 VAL A 45 125.940 -2.998 -4.103 1.00 0.00 H new ATOM 0 HG22 VAL A 45 126.725 -1.738 -5.086 1.00 0.00 H new ATOM 0 HG23 VAL A 45 127.535 -2.366 -3.631 1.00 0.00 H new ATOM 723 N LEU A 46 128.690 0.509 -1.724 1.00 0.00 N ATOM 724 CA LEU A 46 129.378 0.606 -0.444 1.00 0.00 C ATOM 725 C LEU A 46 128.742 1.701 0.399 1.00 0.00 C ATOM 726 O LEU A 46 128.451 1.500 1.578 1.00 0.00 O ATOM 727 CB LEU A 46 130.864 0.901 -0.656 1.00 0.00 C ATOM 728 CG LEU A 46 131.729 -0.322 -0.969 1.00 0.00 C ATOM 729 CD1 LEU A 46 132.970 0.087 -1.747 1.00 0.00 C ATOM 730 CD2 LEU A 46 132.113 -1.044 0.312 1.00 0.00 C ATOM 0 H LEU A 46 129.294 0.598 -2.541 1.00 0.00 H new ATOM 0 HA LEU A 46 129.287 -0.347 0.078 1.00 0.00 H new ATOM 0 HB2 LEU A 46 130.964 1.616 -1.472 1.00 0.00 H new ATOM 0 HB3 LEU A 46 131.254 1.383 0.240 1.00 0.00 H new ATOM 0 HG LEU A 46 131.148 -1.006 -1.587 1.00 0.00 H new ATOM 0 HD11 LEU A 46 133.573 -0.796 -1.961 1.00 0.00 H new ATOM 0 HD12 LEU A 46 132.673 0.559 -2.684 1.00 0.00 H new ATOM 0 HD13 LEU A 46 133.555 0.791 -1.155 1.00 0.00 H new ATOM 0 HD21 LEU A 46 132.728 -1.911 0.071 1.00 0.00 H new ATOM 0 HD22 LEU A 46 132.676 -0.368 0.956 1.00 0.00 H new ATOM 0 HD23 LEU A 46 131.211 -1.371 0.829 1.00 0.00 H new ATOM 742 N TYR A 47 128.504 2.849 -0.219 1.00 0.00 N ATOM 743 CA TYR A 47 127.874 3.962 0.470 1.00 0.00 C ATOM 744 C TYR A 47 126.450 3.591 0.858 1.00 0.00 C ATOM 745 O TYR A 47 125.952 3.991 1.911 1.00 0.00 O ATOM 746 CB TYR A 47 127.865 5.206 -0.419 1.00 0.00 C ATOM 747 CG TYR A 47 126.798 5.182 -1.490 1.00 0.00 C ATOM 748 CD1 TYR A 47 126.840 4.253 -2.522 1.00 0.00 C ATOM 749 CD2 TYR A 47 125.748 6.091 -1.469 1.00 0.00 C ATOM 750 CE1 TYR A 47 125.866 4.231 -3.502 1.00 0.00 C ATOM 751 CE2 TYR A 47 124.770 6.075 -2.445 1.00 0.00 C ATOM 752 CZ TYR A 47 124.834 5.143 -3.459 1.00 0.00 C ATOM 753 OH TYR A 47 123.862 5.124 -4.433 1.00 0.00 O ATOM 0 H TYR A 47 128.738 3.032 -1.195 1.00 0.00 H new ATOM 0 HA TYR A 47 128.446 4.183 1.371 1.00 0.00 H new ATOM 0 HB2 TYR A 47 127.720 6.087 0.206 1.00 0.00 H new ATOM 0 HB3 TYR A 47 128.841 5.309 -0.893 1.00 0.00 H new ATOM 0 HD1 TYR A 47 127.647 3.536 -2.559 1.00 0.00 H new ATOM 0 HD2 TYR A 47 125.695 6.823 -0.676 1.00 0.00 H new ATOM 0 HE1 TYR A 47 125.913 3.502 -4.298 1.00 0.00 H new ATOM 0 HE2 TYR A 47 123.960 6.789 -2.414 1.00 0.00 H new ATOM 0 HH TYR A 47 123.108 4.575 -4.132 1.00 0.00 H new ATOM 763 N PHE A 48 125.802 2.811 -0.003 1.00 0.00 N ATOM 764 CA PHE A 48 124.436 2.370 0.240 1.00 0.00 C ATOM 765 C PHE A 48 124.349 1.561 1.529 1.00 0.00 C ATOM 766 O PHE A 48 123.324 1.569 2.203 1.00 0.00 O ATOM 767 CB PHE A 48 123.890 1.561 -0.945 1.00 0.00 C ATOM 768 CG PHE A 48 122.788 2.273 -1.677 1.00 0.00 C ATOM 769 CD1 PHE A 48 122.870 3.639 -1.897 1.00 0.00 C ATOM 770 CD2 PHE A 48 121.669 1.589 -2.136 1.00 0.00 C ATOM 771 CE1 PHE A 48 121.863 4.310 -2.560 1.00 0.00 C ATOM 772 CE2 PHE A 48 120.660 2.260 -2.799 1.00 0.00 C ATOM 773 CZ PHE A 48 120.758 3.621 -3.012 1.00 0.00 C ATOM 0 H PHE A 48 126.204 2.472 -0.877 1.00 0.00 H new ATOM 0 HA PHE A 48 123.816 3.260 0.350 1.00 0.00 H new ATOM 0 HB2 PHE A 48 124.703 1.348 -1.639 1.00 0.00 H new ATOM 0 HB3 PHE A 48 123.520 0.601 -0.584 1.00 0.00 H new ATOM 0 HD1 PHE A 48 123.733 4.185 -1.545 1.00 0.00 H new ATOM 0 HD2 PHE A 48 121.588 0.524 -1.973 1.00 0.00 H new ATOM 0 HE1 PHE A 48 121.941 5.375 -2.725 1.00 0.00 H new ATOM 0 HE2 PHE A 48 119.794 1.720 -3.151 1.00 0.00 H new ATOM 0 HZ PHE A 48 119.970 4.145 -3.532 1.00 0.00 H new ATOM 783 N ARG A 49 125.425 0.861 1.871 1.00 0.00 N ATOM 784 CA ARG A 49 125.436 0.051 3.084 1.00 0.00 C ATOM 785 C ARG A 49 125.051 0.893 4.301 1.00 0.00 C ATOM 786 O ARG A 49 124.291 0.448 5.165 1.00 0.00 O ATOM 787 CB ARG A 49 126.817 -0.579 3.297 1.00 0.00 C ATOM 788 CG ARG A 49 126.764 -1.949 3.962 1.00 0.00 C ATOM 789 CD ARG A 49 127.024 -3.071 2.965 1.00 0.00 C ATOM 790 NE ARG A 49 128.449 -3.261 2.716 1.00 0.00 N ATOM 791 CZ ARG A 49 128.935 -3.836 1.621 1.00 0.00 C ATOM 792 NH1 ARG A 49 128.111 -4.277 0.680 1.00 0.00 N ATOM 793 NH2 ARG A 49 130.245 -3.972 1.467 1.00 0.00 N ATOM 0 H ARG A 49 126.291 0.837 1.333 1.00 0.00 H new ATOM 0 HA ARG A 49 124.701 -0.745 2.966 1.00 0.00 H new ATOM 0 HB2 ARG A 49 127.318 -0.671 2.333 1.00 0.00 H new ATOM 0 HB3 ARG A 49 127.422 0.090 3.909 1.00 0.00 H new ATOM 0 HG2 ARG A 49 127.504 -1.994 4.761 1.00 0.00 H new ATOM 0 HG3 ARG A 49 125.787 -2.092 4.423 1.00 0.00 H new ATOM 0 HD2 ARG A 49 126.595 -3.999 3.343 1.00 0.00 H new ATOM 0 HD3 ARG A 49 126.519 -2.846 2.026 1.00 0.00 H new ATOM 0 HE ARG A 49 129.109 -2.934 3.422 1.00 0.00 H new ATOM 0 HH11 ARG A 49 127.103 -4.175 0.796 1.00 0.00 H new ATOM 0 HH12 ARG A 49 128.485 -4.718 -0.160 1.00 0.00 H new ATOM 0 HH21 ARG A 49 130.881 -3.635 2.190 1.00 0.00 H new ATOM 0 HH22 ARG A 49 130.617 -4.414 0.626 1.00 0.00 H new ATOM 807 N GLU A 50 125.565 2.115 4.353 1.00 0.00 N ATOM 808 CA GLU A 50 125.280 3.031 5.455 1.00 0.00 C ATOM 809 C GLU A 50 123.787 3.353 5.568 1.00 0.00 C ATOM 810 O GLU A 50 123.293 3.657 6.654 1.00 0.00 O ATOM 811 CB GLU A 50 126.073 4.327 5.278 1.00 0.00 C ATOM 812 CG GLU A 50 127.564 4.164 5.526 1.00 0.00 C ATOM 813 CD GLU A 50 128.382 4.294 4.255 1.00 0.00 C ATOM 814 OE1 GLU A 50 128.482 3.297 3.510 1.00 0.00 O ATOM 815 OE2 GLU A 50 128.922 5.393 4.006 1.00 0.00 O ATOM 0 H GLU A 50 126.186 2.499 3.641 1.00 0.00 H new ATOM 0 HA GLU A 50 125.582 2.533 6.376 1.00 0.00 H new ATOM 0 HB2 GLU A 50 125.920 4.702 4.266 1.00 0.00 H new ATOM 0 HB3 GLU A 50 125.679 5.081 5.960 1.00 0.00 H new ATOM 0 HG2 GLU A 50 127.894 4.914 6.245 1.00 0.00 H new ATOM 0 HG3 GLU A 50 127.750 3.189 5.976 1.00 0.00 H new ATOM 822 N LEU A 51 123.080 3.320 4.442 1.00 0.00 N ATOM 823 CA LEU A 51 121.654 3.649 4.421 1.00 0.00 C ATOM 824 C LEU A 51 120.826 2.768 5.358 1.00 0.00 C ATOM 825 O LEU A 51 119.843 3.233 5.936 1.00 0.00 O ATOM 826 CB LEU A 51 121.100 3.534 2.997 1.00 0.00 C ATOM 827 CG LEU A 51 120.812 4.867 2.306 1.00 0.00 C ATOM 828 CD1 LEU A 51 121.168 4.791 0.829 1.00 0.00 C ATOM 829 CD2 LEU A 51 119.351 5.255 2.486 1.00 0.00 C ATOM 0 H LEU A 51 123.468 3.070 3.533 1.00 0.00 H new ATOM 0 HA LEU A 51 121.570 4.676 4.776 1.00 0.00 H new ATOM 0 HB2 LEU A 51 121.812 2.974 2.391 1.00 0.00 H new ATOM 0 HB3 LEU A 51 120.179 2.951 3.027 1.00 0.00 H new ATOM 0 HG LEU A 51 121.431 5.636 2.768 1.00 0.00 H new ATOM 0 HD11 LEU A 51 120.956 5.749 0.354 1.00 0.00 H new ATOM 0 HD12 LEU A 51 122.228 4.559 0.722 1.00 0.00 H new ATOM 0 HD13 LEU A 51 120.576 4.010 0.352 1.00 0.00 H new ATOM 0 HD21 LEU A 51 119.163 6.206 1.988 1.00 0.00 H new ATOM 0 HD22 LEU A 51 118.714 4.485 2.050 1.00 0.00 H new ATOM 0 HD23 LEU A 51 119.128 5.352 3.549 1.00 0.00 H new ATOM 841 N LEU A 52 121.204 1.503 5.508 1.00 0.00 N ATOM 842 CA LEU A 52 120.451 0.597 6.377 1.00 0.00 C ATOM 843 C LEU A 52 120.535 1.027 7.833 1.00 0.00 C ATOM 844 O LEU A 52 119.603 0.808 8.608 1.00 0.00 O ATOM 845 CB LEU A 52 120.944 -0.842 6.235 1.00 0.00 C ATOM 846 CG LEU A 52 120.183 -1.722 5.235 1.00 0.00 C ATOM 847 CD1 LEU A 52 119.520 -2.895 5.935 1.00 0.00 C ATOM 848 CD2 LEU A 52 119.147 -0.920 4.461 1.00 0.00 C ATOM 0 H LEU A 52 122.013 1.084 5.049 1.00 0.00 H new ATOM 0 HA LEU A 52 119.409 0.644 6.061 1.00 0.00 H new ATOM 0 HB2 LEU A 52 121.993 -0.817 5.941 1.00 0.00 H new ATOM 0 HB3 LEU A 52 120.899 -1.318 7.214 1.00 0.00 H new ATOM 0 HG LEU A 52 120.914 -2.108 4.524 1.00 0.00 H new ATOM 0 HD11 LEU A 52 118.988 -3.502 5.203 1.00 0.00 H new ATOM 0 HD12 LEU A 52 120.280 -3.502 6.426 1.00 0.00 H new ATOM 0 HD13 LEU A 52 118.816 -2.524 6.679 1.00 0.00 H new ATOM 0 HD21 LEU A 52 118.627 -1.575 3.762 1.00 0.00 H new ATOM 0 HD22 LEU A 52 118.428 -0.488 5.156 1.00 0.00 H new ATOM 0 HD23 LEU A 52 119.643 -0.121 3.909 1.00 0.00 H new ATOM 860 N ALA A 53 121.652 1.634 8.207 1.00 0.00 N ATOM 861 CA ALA A 53 121.837 2.079 9.578 1.00 0.00 C ATOM 862 C ALA A 53 120.718 3.029 9.985 1.00 0.00 C ATOM 863 O ALA A 53 120.303 3.053 11.143 1.00 0.00 O ATOM 864 CB ALA A 53 123.192 2.753 9.737 1.00 0.00 C ATOM 0 H ALA A 53 122.437 1.828 7.585 1.00 0.00 H new ATOM 0 HA ALA A 53 121.804 1.208 10.233 1.00 0.00 H new ATOM 0 HB1 ALA A 53 123.316 3.081 10.769 1.00 0.00 H new ATOM 0 HB2 ALA A 53 123.982 2.046 9.483 1.00 0.00 H new ATOM 0 HB3 ALA A 53 123.250 3.615 9.073 1.00 0.00 H new ATOM 870 N GLY A 54 120.214 3.796 9.022 1.00 0.00 N ATOM 871 CA GLY A 54 119.141 4.725 9.312 1.00 0.00 C ATOM 872 C GLY A 54 117.925 4.023 9.874 1.00 0.00 C ATOM 873 O GLY A 54 117.330 4.479 10.850 1.00 0.00 O ATOM 0 H GLY A 54 120.529 3.790 8.052 1.00 0.00 H new ATOM 0 HA2 GLY A 54 119.490 5.473 10.024 1.00 0.00 H new ATOM 0 HA3 GLY A 54 118.865 5.257 8.401 1.00 0.00 H new ATOM 877 N VAL A 55 117.573 2.894 9.275 1.00 0.00 N ATOM 878 CA VAL A 55 116.438 2.113 9.736 1.00 0.00 C ATOM 879 C VAL A 55 116.741 1.512 11.098 1.00 0.00 C ATOM 880 O VAL A 55 115.855 1.358 11.939 1.00 0.00 O ATOM 881 CB VAL A 55 116.089 0.983 8.749 1.00 0.00 C ATOM 882 CG1 VAL A 55 114.656 0.516 8.955 1.00 0.00 C ATOM 883 CG2 VAL A 55 116.307 1.440 7.315 1.00 0.00 C ATOM 0 H VAL A 55 118.058 2.500 8.469 1.00 0.00 H new ATOM 0 HA VAL A 55 115.582 2.784 9.806 1.00 0.00 H new ATOM 0 HB VAL A 55 116.752 0.140 8.942 1.00 0.00 H new ATOM 0 HG11 VAL A 55 114.428 -0.282 8.249 1.00 0.00 H new ATOM 0 HG12 VAL A 55 114.537 0.145 9.973 1.00 0.00 H new ATOM 0 HG13 VAL A 55 113.974 1.351 8.791 1.00 0.00 H new ATOM 0 HG21 VAL A 55 116.055 0.628 6.632 1.00 0.00 H new ATOM 0 HG22 VAL A 55 115.671 2.300 7.107 1.00 0.00 H new ATOM 0 HG23 VAL A 55 117.351 1.719 7.177 1.00 0.00 H new ATOM 893 N ALA A 56 118.009 1.171 11.300 1.00 0.00 N ATOM 894 CA ALA A 56 118.459 0.581 12.548 1.00 0.00 C ATOM 895 C ALA A 56 118.467 1.607 13.676 1.00 0.00 C ATOM 896 O ALA A 56 118.448 1.249 14.854 1.00 0.00 O ATOM 897 CB ALA A 56 119.839 -0.021 12.355 1.00 0.00 C ATOM 0 H ALA A 56 118.746 1.296 10.607 1.00 0.00 H new ATOM 0 HA ALA A 56 117.762 -0.207 12.833 1.00 0.00 H new ATOM 0 HB1 ALA A 56 120.177 -0.464 13.292 1.00 0.00 H new ATOM 0 HB2 ALA A 56 119.796 -0.791 11.584 1.00 0.00 H new ATOM 0 HB3 ALA A 56 120.537 0.759 12.050 1.00 0.00 H new ATOM 903 N THR A 57 118.499 2.885 13.309 1.00 0.00 N ATOM 904 CA THR A 57 118.514 3.960 14.295 1.00 0.00 C ATOM 905 C THR A 57 117.367 4.932 14.054 1.00 0.00 C ATOM 906 O THR A 57 117.381 6.060 14.548 1.00 0.00 O ATOM 907 CB THR A 57 119.849 4.704 14.249 1.00 0.00 C ATOM 908 OG1 THR A 57 120.244 4.945 12.910 1.00 0.00 O ATOM 909 CG2 THR A 57 120.976 3.956 14.931 1.00 0.00 C ATOM 0 H THR A 57 118.515 3.200 12.339 1.00 0.00 H new ATOM 0 HA THR A 57 118.389 3.517 15.283 1.00 0.00 H new ATOM 0 HB THR A 57 119.677 5.638 14.785 1.00 0.00 H new ATOM 0 HG1 THR A 57 120.570 4.112 12.510 1.00 0.00 H new ATOM 0 HG21 THR A 57 121.894 4.539 14.862 1.00 0.00 H new ATOM 0 HG22 THR A 57 120.725 3.797 15.980 1.00 0.00 H new ATOM 0 HG23 THR A 57 121.121 2.992 14.443 1.00 0.00 H new ATOM 917 N ASN A 58 116.374 4.489 13.291 1.00 0.00 N ATOM 918 CA ASN A 58 115.219 5.322 12.984 1.00 0.00 C ATOM 919 C ASN A 58 114.052 4.474 12.488 1.00 0.00 C ATOM 920 O ASN A 58 113.174 4.966 11.779 1.00 0.00 O ATOM 921 CB ASN A 58 115.585 6.371 11.933 1.00 0.00 C ATOM 922 CG ASN A 58 115.222 7.776 12.369 1.00 0.00 C ATOM 923 OD1 ASN A 58 114.577 7.973 13.400 1.00 0.00 O ATOM 924 ND2 ASN A 58 115.634 8.764 11.584 1.00 0.00 N ATOM 0 H ASN A 58 116.346 3.558 12.874 1.00 0.00 H new ATOM 0 HA ASN A 58 114.914 5.827 13.900 1.00 0.00 H new ATOM 0 HB2 ASN A 58 116.655 6.321 11.731 1.00 0.00 H new ATOM 0 HB3 ASN A 58 115.073 6.140 10.999 1.00 0.00 H new ATOM 0 HD21 ASN A 58 115.419 9.731 11.826 1.00 0.00 H new ATOM 0 HD22 ASN A 58 116.166 8.556 10.739 1.00 0.00 H new ATOM 931 N THR A 59 114.045 3.200 12.866 1.00 0.00 N ATOM 932 CA THR A 59 112.978 2.295 12.454 1.00 0.00 C ATOM 933 C THR A 59 111.621 2.849 12.872 1.00 0.00 C ATOM 934 O THR A 59 110.692 2.919 12.066 1.00 0.00 O ATOM 935 CB THR A 59 113.183 0.905 13.060 1.00 0.00 C ATOM 936 OG1 THR A 59 114.437 0.818 13.712 1.00 0.00 O ATOM 937 CG2 THR A 59 113.121 -0.209 12.036 1.00 0.00 C ATOM 0 H THR A 59 114.761 2.773 13.453 1.00 0.00 H new ATOM 0 HA THR A 59 113.006 2.209 11.368 1.00 0.00 H new ATOM 0 HB THR A 59 112.363 0.776 13.766 1.00 0.00 H new ATOM 0 HG1 THR A 59 115.126 0.562 13.063 1.00 0.00 H new ATOM 0 HG21 THR A 59 113.274 -1.168 12.532 1.00 0.00 H new ATOM 0 HG22 THR A 59 112.145 -0.203 11.551 1.00 0.00 H new ATOM 0 HG23 THR A 59 113.899 -0.059 11.288 1.00 0.00 H new ATOM 945 N ALA A 60 111.518 3.259 14.133 1.00 0.00 N ATOM 946 CA ALA A 60 110.278 3.819 14.651 1.00 0.00 C ATOM 947 C ALA A 60 109.881 5.055 13.855 1.00 0.00 C ATOM 948 O ALA A 60 108.698 5.311 13.632 1.00 0.00 O ATOM 949 CB ALA A 60 110.425 4.159 16.127 1.00 0.00 C ATOM 0 H ALA A 60 112.278 3.213 14.812 1.00 0.00 H new ATOM 0 HA ALA A 60 109.490 3.073 14.546 1.00 0.00 H new ATOM 0 HB1 ALA A 60 109.489 4.577 16.499 1.00 0.00 H new ATOM 0 HB2 ALA A 60 110.667 3.255 16.686 1.00 0.00 H new ATOM 0 HB3 ALA A 60 111.224 4.889 16.254 1.00 0.00 H new ATOM 955 N TYR A 61 110.884 5.802 13.408 1.00 0.00 N ATOM 956 CA TYR A 61 110.648 6.997 12.613 1.00 0.00 C ATOM 957 C TYR A 61 109.953 6.601 11.326 1.00 0.00 C ATOM 958 O TYR A 61 108.994 7.240 10.893 1.00 0.00 O ATOM 959 CB TYR A 61 111.965 7.710 12.307 1.00 0.00 C ATOM 960 CG TYR A 61 111.940 8.502 11.019 1.00 0.00 C ATOM 961 CD1 TYR A 61 110.864 9.324 10.708 1.00 0.00 C ATOM 962 CD2 TYR A 61 112.992 8.427 10.116 1.00 0.00 C ATOM 963 CE1 TYR A 61 110.839 10.051 9.534 1.00 0.00 C ATOM 964 CE2 TYR A 61 112.974 9.150 8.938 1.00 0.00 C ATOM 965 CZ TYR A 61 111.896 9.961 8.652 1.00 0.00 C ATOM 966 OH TYR A 61 111.876 10.684 7.482 1.00 0.00 O ATOM 0 H TYR A 61 111.868 5.599 13.584 1.00 0.00 H new ATOM 0 HA TYR A 61 110.017 7.685 13.175 1.00 0.00 H new ATOM 0 HB2 TYR A 61 112.205 8.381 13.132 1.00 0.00 H new ATOM 0 HB3 TYR A 61 112.765 6.971 12.254 1.00 0.00 H new ATOM 0 HD1 TYR A 61 110.034 9.396 11.395 1.00 0.00 H new ATOM 0 HD2 TYR A 61 113.838 7.793 10.338 1.00 0.00 H new ATOM 0 HE1 TYR A 61 109.996 10.687 9.307 1.00 0.00 H new ATOM 0 HE2 TYR A 61 113.800 9.080 8.245 1.00 0.00 H new ATOM 0 HH TYR A 61 112.273 11.567 7.636 1.00 0.00 H new ATOM 976 N LEU A 62 110.427 5.508 10.742 1.00 0.00 N ATOM 977 CA LEU A 62 109.841 4.976 9.528 1.00 0.00 C ATOM 978 C LEU A 62 108.461 4.433 9.853 1.00 0.00 C ATOM 979 O LEU A 62 107.561 4.429 9.012 1.00 0.00 O ATOM 980 CB LEU A 62 110.723 3.873 8.940 1.00 0.00 C ATOM 981 CG LEU A 62 111.951 4.363 8.171 1.00 0.00 C ATOM 982 CD1 LEU A 62 112.656 3.198 7.495 1.00 0.00 C ATOM 983 CD2 LEU A 62 111.553 5.415 7.147 1.00 0.00 C ATOM 0 H LEU A 62 111.220 4.973 11.095 1.00 0.00 H new ATOM 0 HA LEU A 62 109.761 5.769 8.784 1.00 0.00 H new ATOM 0 HB2 LEU A 62 111.056 3.225 9.751 1.00 0.00 H new ATOM 0 HB3 LEU A 62 110.116 3.261 8.272 1.00 0.00 H new ATOM 0 HG LEU A 62 112.643 4.818 8.880 1.00 0.00 H new ATOM 0 HD11 LEU A 62 113.527 3.565 6.953 1.00 0.00 H new ATOM 0 HD12 LEU A 62 112.975 2.479 8.249 1.00 0.00 H new ATOM 0 HD13 LEU A 62 111.972 2.714 6.798 1.00 0.00 H new ATOM 0 HD21 LEU A 62 112.439 5.753 6.609 1.00 0.00 H new ATOM 0 HD22 LEU A 62 110.842 4.985 6.442 1.00 0.00 H new ATOM 0 HD23 LEU A 62 111.093 6.262 7.656 1.00 0.00 H new ATOM 995 N ASP A 63 108.308 3.975 11.095 1.00 0.00 N ATOM 996 CA ASP A 63 107.040 3.429 11.558 1.00 0.00 C ATOM 997 C ASP A 63 105.931 4.466 11.433 1.00 0.00 C ATOM 998 O ASP A 63 104.756 4.122 11.309 1.00 0.00 O ATOM 999 CB ASP A 63 107.160 2.965 13.011 1.00 0.00 C ATOM 1000 CG ASP A 63 106.002 2.084 13.435 1.00 0.00 C ATOM 1001 OD1 ASP A 63 105.711 1.101 12.722 1.00 0.00 O ATOM 1002 OD2 ASP A 63 105.384 2.378 14.481 1.00 0.00 O ATOM 0 H ASP A 63 109.049 3.973 11.796 1.00 0.00 H new ATOM 0 HA ASP A 63 106.788 2.573 10.932 1.00 0.00 H new ATOM 0 HB2 ASP A 63 108.094 2.418 13.139 1.00 0.00 H new ATOM 0 HB3 ASP A 63 107.208 3.836 13.665 1.00 0.00 H new ATOM 1007 N GLY A 64 106.314 5.739 11.460 1.00 0.00 N ATOM 1008 CA GLY A 64 105.341 6.808 11.345 1.00 0.00 C ATOM 1009 C GLY A 64 104.598 6.763 10.027 1.00 0.00 C ATOM 1010 O GLY A 64 103.409 7.073 9.966 1.00 0.00 O ATOM 0 H GLY A 64 107.281 6.048 11.559 1.00 0.00 H new ATOM 0 HA2 GLY A 64 104.627 6.737 12.166 1.00 0.00 H new ATOM 0 HA3 GLY A 64 105.846 7.769 11.443 1.00 0.00 H new ATOM 1014 N LEU A 65 105.299 6.368 8.969 1.00 0.00 N ATOM 1015 CA LEU A 65 104.695 6.273 7.646 1.00 0.00 C ATOM 1016 C LEU A 65 103.674 5.139 7.614 1.00 0.00 C ATOM 1017 O LEU A 65 102.583 5.285 7.065 1.00 0.00 O ATOM 1018 CB LEU A 65 105.772 6.043 6.583 1.00 0.00 C ATOM 1019 CG LEU A 65 106.742 7.210 6.376 1.00 0.00 C ATOM 1020 CD1 LEU A 65 106.726 7.673 4.926 1.00 0.00 C ATOM 1021 CD2 LEU A 65 106.396 8.360 7.307 1.00 0.00 C ATOM 0 H LEU A 65 106.285 6.109 9.003 1.00 0.00 H new ATOM 0 HA LEU A 65 104.186 7.212 7.428 1.00 0.00 H new ATOM 0 HB2 LEU A 65 106.346 5.158 6.856 1.00 0.00 H new ATOM 0 HB3 LEU A 65 105.283 5.825 5.634 1.00 0.00 H new ATOM 0 HG LEU A 65 107.748 6.865 6.612 1.00 0.00 H new ATOM 0 HD11 LEU A 65 107.422 8.503 4.801 1.00 0.00 H new ATOM 0 HD12 LEU A 65 107.024 6.849 4.278 1.00 0.00 H new ATOM 0 HD13 LEU A 65 105.721 8.000 4.659 1.00 0.00 H new ATOM 0 HD21 LEU A 65 107.095 9.181 7.147 1.00 0.00 H new ATOM 0 HD22 LEU A 65 105.382 8.702 7.102 1.00 0.00 H new ATOM 0 HD23 LEU A 65 106.463 8.023 8.342 1.00 0.00 H new ATOM 1033 N MET A 66 104.035 4.014 8.221 1.00 0.00 N ATOM 1034 CA MET A 66 103.153 2.855 8.279 1.00 0.00 C ATOM 1035 C MET A 66 102.062 3.074 9.317 1.00 0.00 C ATOM 1036 O MET A 66 101.008 2.438 9.274 1.00 0.00 O ATOM 1037 CB MET A 66 103.953 1.600 8.626 1.00 0.00 C ATOM 1038 CG MET A 66 105.102 1.336 7.673 1.00 0.00 C ATOM 1039 SD MET A 66 105.120 -0.359 7.058 1.00 0.00 S ATOM 1040 CE MET A 66 106.290 -0.221 5.709 1.00 0.00 C ATOM 0 H MET A 66 104.935 3.880 8.681 1.00 0.00 H new ATOM 0 HA MET A 66 102.690 2.722 7.301 1.00 0.00 H new ATOM 0 HB2 MET A 66 104.345 1.696 9.638 1.00 0.00 H new ATOM 0 HB3 MET A 66 103.284 0.739 8.624 1.00 0.00 H new ATOM 0 HG2 MET A 66 105.035 2.023 6.830 1.00 0.00 H new ATOM 0 HG3 MET A 66 106.044 1.544 8.180 1.00 0.00 H new ATOM 0 HE1 MET A 66 106.083 -0.992 4.967 1.00 0.00 H new ATOM 0 HE2 MET A 66 106.198 0.762 5.246 1.00 0.00 H new ATOM 0 HE3 MET A 66 107.303 -0.348 6.091 1.00 0.00 H new ATOM 1050 N LYS A 67 102.333 3.980 10.249 1.00 0.00 N ATOM 1051 CA LYS A 67 101.390 4.305 11.316 1.00 0.00 C ATOM 1052 C LYS A 67 99.944 4.142 10.850 1.00 0.00 C ATOM 1053 O LYS A 67 99.174 3.388 11.444 1.00 0.00 O ATOM 1054 CB LYS A 67 101.619 5.736 11.806 1.00 0.00 C ATOM 1055 CG LYS A 67 100.522 6.247 12.725 1.00 0.00 C ATOM 1056 CD LYS A 67 101.097 6.858 13.992 1.00 0.00 C ATOM 1057 CE LYS A 67 100.000 7.364 14.915 1.00 0.00 C ATOM 1058 NZ LYS A 67 98.936 8.088 14.166 1.00 0.00 N ATOM 0 H LYS A 67 103.205 4.507 10.288 1.00 0.00 H new ATOM 0 HA LYS A 67 101.563 3.609 12.137 1.00 0.00 H new ATOM 0 HB2 LYS A 67 102.573 5.783 12.331 1.00 0.00 H new ATOM 0 HB3 LYS A 67 101.697 6.398 10.944 1.00 0.00 H new ATOM 0 HG2 LYS A 67 99.923 6.991 12.200 1.00 0.00 H new ATOM 0 HG3 LYS A 67 99.853 5.427 12.986 1.00 0.00 H new ATOM 0 HD2 LYS A 67 101.699 6.115 14.515 1.00 0.00 H new ATOM 0 HD3 LYS A 67 101.762 7.681 13.731 1.00 0.00 H new ATOM 0 HE2 LYS A 67 99.559 6.523 15.451 1.00 0.00 H new ATOM 0 HE3 LYS A 67 100.433 8.027 15.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 98.425 8.721 14.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 99.368 8.648 13.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 98.271 7.401 13.757 1.00 0.00 H new ATOM 1072 N PRO A 68 99.557 4.849 9.777 1.00 0.00 N ATOM 1073 CA PRO A 68 98.196 4.777 9.233 1.00 0.00 C ATOM 1074 C PRO A 68 97.850 3.380 8.732 1.00 0.00 C ATOM 1075 O PRO A 68 96.706 2.938 8.832 1.00 0.00 O ATOM 1076 CB PRO A 68 98.214 5.776 8.071 1.00 0.00 C ATOM 1077 CG PRO A 68 99.654 5.942 7.724 1.00 0.00 C ATOM 1078 CD PRO A 68 100.411 5.770 9.010 1.00 0.00 C ATOM 0 HA PRO A 68 97.444 5.005 9.989 1.00 0.00 H new ATOM 0 HB2 PRO A 68 97.644 5.402 7.221 1.00 0.00 H new ATOM 0 HB3 PRO A 68 97.766 6.726 8.361 1.00 0.00 H new ATOM 0 HG2 PRO A 68 99.965 5.203 6.986 1.00 0.00 H new ATOM 0 HG3 PRO A 68 99.840 6.924 7.290 1.00 0.00 H new ATOM 0 HD2 PRO A 68 101.404 5.353 8.841 1.00 0.00 H new ATOM 0 HD3 PRO A 68 100.548 6.719 9.528 1.00 0.00 H new ATOM 1086 N TYR A 69 98.849 2.688 8.194 1.00 0.00 N ATOM 1087 CA TYR A 69 98.656 1.338 7.681 1.00 0.00 C ATOM 1088 C TYR A 69 99.638 0.368 8.333 1.00 0.00 C ATOM 1089 O TYR A 69 100.844 0.430 8.094 1.00 0.00 O ATOM 1090 CB TYR A 69 98.815 1.319 6.158 1.00 0.00 C ATOM 1091 CG TYR A 69 100.225 1.033 5.696 1.00 0.00 C ATOM 1092 CD1 TYR A 69 100.699 -0.269 5.625 1.00 0.00 C ATOM 1093 CD2 TYR A 69 101.081 2.066 5.335 1.00 0.00 C ATOM 1094 CE1 TYR A 69 101.988 -0.536 5.206 1.00 0.00 C ATOM 1095 CE2 TYR A 69 102.370 1.808 4.914 1.00 0.00 C ATOM 1096 CZ TYR A 69 102.820 0.505 4.852 1.00 0.00 C ATOM 1097 OH TYR A 69 104.104 0.245 4.434 1.00 0.00 O ATOM 0 H TYR A 69 99.801 3.041 8.102 1.00 0.00 H new ATOM 0 HA TYR A 69 97.644 1.017 7.929 1.00 0.00 H new ATOM 0 HB2 TYR A 69 98.146 0.566 5.742 1.00 0.00 H new ATOM 0 HB3 TYR A 69 98.499 2.282 5.757 1.00 0.00 H new ATOM 0 HD1 TYR A 69 100.050 -1.087 5.902 1.00 0.00 H new ATOM 0 HD2 TYR A 69 100.732 3.087 5.385 1.00 0.00 H new ATOM 0 HE1 TYR A 69 102.342 -1.555 5.156 1.00 0.00 H new ATOM 0 HE2 TYR A 69 103.023 2.622 4.635 1.00 0.00 H new ATOM 0 HH TYR A 69 104.469 1.037 3.986 1.00 0.00 H new ATOM 1107 N LEU A 70 99.116 -0.519 9.172 1.00 0.00 N ATOM 1108 CA LEU A 70 99.943 -1.492 9.870 1.00 0.00 C ATOM 1109 C LEU A 70 99.799 -2.880 9.257 1.00 0.00 C ATOM 1110 O LEU A 70 100.680 -3.728 9.405 1.00 0.00 O ATOM 1111 CB LEU A 70 99.560 -1.537 11.349 1.00 0.00 C ATOM 1112 CG LEU A 70 99.673 -0.203 12.086 1.00 0.00 C ATOM 1113 CD1 LEU A 70 101.119 0.267 12.122 1.00 0.00 C ATOM 1114 CD2 LEU A 70 98.785 0.845 11.432 1.00 0.00 C ATOM 0 H LEU A 70 98.121 -0.583 9.385 1.00 0.00 H new ATOM 0 HA LEU A 70 100.984 -1.183 9.772 1.00 0.00 H new ATOM 0 HB2 LEU A 70 98.534 -1.895 11.432 1.00 0.00 H new ATOM 0 HB3 LEU A 70 100.194 -2.267 11.851 1.00 0.00 H new ATOM 0 HG LEU A 70 99.334 -0.347 13.112 1.00 0.00 H new ATOM 0 HD11 LEU A 70 101.179 1.218 12.651 1.00 0.00 H new ATOM 0 HD12 LEU A 70 101.730 -0.474 12.638 1.00 0.00 H new ATOM 0 HD13 LEU A 70 101.486 0.394 11.103 1.00 0.00 H new ATOM 0 HD21 LEU A 70 98.878 1.788 11.970 1.00 0.00 H new ATOM 0 HD22 LEU A 70 99.092 0.987 10.396 1.00 0.00 H new ATOM 0 HD23 LEU A 70 97.747 0.512 11.461 1.00 0.00 H new ATOM 1126 N SER A 71 98.683 -3.108 8.575 1.00 0.00 N ATOM 1127 CA SER A 71 98.425 -4.398 7.948 1.00 0.00 C ATOM 1128 C SER A 71 98.182 -5.469 9.005 1.00 0.00 C ATOM 1129 O SER A 71 98.597 -6.617 8.847 1.00 0.00 O ATOM 1130 CB SER A 71 99.603 -4.802 7.058 1.00 0.00 C ATOM 1131 OG SER A 71 99.353 -4.474 5.702 1.00 0.00 O ATOM 0 H SER A 71 97.944 -2.418 8.442 1.00 0.00 H new ATOM 0 HA SER A 71 97.531 -4.306 7.332 1.00 0.00 H new ATOM 0 HB2 SER A 71 100.508 -4.298 7.396 1.00 0.00 H new ATOM 0 HB3 SER A 71 99.781 -5.873 7.149 1.00 0.00 H new ATOM 0 HG SER A 71 100.121 -4.740 5.154 1.00 0.00 H new ATOM 1137 N ARG A 72 97.513 -5.079 10.087 1.00 0.00 N ATOM 1138 CA ARG A 72 97.211 -5.996 11.182 1.00 0.00 C ATOM 1139 C ARG A 72 98.354 -6.029 12.190 1.00 0.00 C ATOM 1140 O ARG A 72 98.215 -5.551 13.316 1.00 0.00 O ATOM 1141 CB ARG A 72 96.942 -7.404 10.647 1.00 0.00 C ATOM 1142 CG ARG A 72 96.022 -7.431 9.437 1.00 0.00 C ATOM 1143 CD ARG A 72 95.448 -8.818 9.204 1.00 0.00 C ATOM 1144 NE ARG A 72 94.595 -9.249 10.308 1.00 0.00 N ATOM 1145 CZ ARG A 72 93.704 -10.231 10.210 1.00 0.00 C ATOM 1146 NH1 ARG A 72 93.551 -10.877 9.063 1.00 0.00 N ATOM 1147 NH2 ARG A 72 92.966 -10.565 11.260 1.00 0.00 N ATOM 0 H ARG A 72 97.168 -4.129 10.229 1.00 0.00 H new ATOM 0 HA ARG A 72 96.314 -5.636 11.686 1.00 0.00 H new ATOM 0 HB2 ARG A 72 97.891 -7.870 10.382 1.00 0.00 H new ATOM 0 HB3 ARG A 72 96.502 -8.007 11.441 1.00 0.00 H new ATOM 0 HG2 ARG A 72 95.209 -6.719 9.581 1.00 0.00 H new ATOM 0 HG3 ARG A 72 96.573 -7.111 8.553 1.00 0.00 H new ATOM 0 HD2 ARG A 72 94.872 -8.821 8.278 1.00 0.00 H new ATOM 0 HD3 ARG A 72 96.263 -9.531 9.076 1.00 0.00 H new ATOM 0 HE ARG A 72 94.688 -8.770 11.204 1.00 0.00 H new ATOM 0 HH11 ARG A 72 94.117 -10.621 8.254 1.00 0.00 H new ATOM 0 HH12 ARG A 72 92.867 -11.630 8.989 1.00 0.00 H new ATOM 0 HH21 ARG A 72 93.082 -10.068 12.143 1.00 0.00 H new ATOM 0 HH22 ARG A 72 92.283 -11.318 11.184 1.00 0.00 H new ATOM 1161 N LEU A 73 99.485 -6.595 11.780 1.00 0.00 N ATOM 1162 CA LEU A 73 100.649 -6.689 12.649 1.00 0.00 C ATOM 1163 C LEU A 73 101.939 -6.664 11.837 1.00 0.00 C ATOM 1164 O LEU A 73 102.082 -7.395 10.856 1.00 0.00 O ATOM 1165 CB LEU A 73 100.584 -7.967 13.484 1.00 0.00 C ATOM 1166 CG LEU A 73 99.187 -8.353 13.969 1.00 0.00 C ATOM 1167 CD1 LEU A 73 98.427 -9.090 12.878 1.00 0.00 C ATOM 1168 CD2 LEU A 73 99.277 -9.203 15.227 1.00 0.00 C ATOM 0 H LEU A 73 99.618 -6.995 10.851 1.00 0.00 H new ATOM 0 HA LEU A 73 100.644 -5.826 13.315 1.00 0.00 H new ATOM 0 HB2 LEU A 73 100.987 -8.790 12.893 1.00 0.00 H new ATOM 0 HB3 LEU A 73 101.233 -7.849 14.351 1.00 0.00 H new ATOM 0 HG LEU A 73 98.641 -7.441 14.209 1.00 0.00 H new ATOM 0 HD11 LEU A 73 97.435 -9.356 13.242 1.00 0.00 H new ATOM 0 HD12 LEU A 73 98.332 -8.447 12.003 1.00 0.00 H new ATOM 0 HD13 LEU A 73 98.969 -9.996 12.605 1.00 0.00 H new ATOM 0 HD21 LEU A 73 98.273 -9.469 15.559 1.00 0.00 H new ATOM 0 HD22 LEU A 73 99.841 -10.111 15.013 1.00 0.00 H new ATOM 0 HD23 LEU A 73 99.781 -8.639 16.012 1.00 0.00 H new ATOM 1180 N LEU A 74 102.876 -5.820 12.253 1.00 0.00 N ATOM 1181 CA LEU A 74 104.157 -5.700 11.567 1.00 0.00 C ATOM 1182 C LEU A 74 105.006 -6.948 11.782 1.00 0.00 C ATOM 1183 O LEU A 74 105.736 -7.377 10.889 1.00 0.00 O ATOM 1184 CB LEU A 74 104.911 -4.462 12.060 1.00 0.00 C ATOM 1185 CG LEU A 74 104.366 -3.127 11.549 1.00 0.00 C ATOM 1186 CD1 LEU A 74 104.233 -2.133 12.693 1.00 0.00 C ATOM 1187 CD2 LEU A 74 105.266 -2.567 10.457 1.00 0.00 C ATOM 0 H LEU A 74 102.773 -5.208 13.063 1.00 0.00 H new ATOM 0 HA LEU A 74 103.962 -5.595 10.500 1.00 0.00 H new ATOM 0 HB2 LEU A 74 104.890 -4.453 13.150 1.00 0.00 H new ATOM 0 HB3 LEU A 74 105.956 -4.549 11.762 1.00 0.00 H new ATOM 0 HG LEU A 74 103.376 -3.298 11.125 1.00 0.00 H new ATOM 0 HD11 LEU A 74 103.844 -1.189 12.311 1.00 0.00 H new ATOM 0 HD12 LEU A 74 103.549 -2.531 13.443 1.00 0.00 H new ATOM 0 HD13 LEU A 74 105.210 -1.966 13.146 1.00 0.00 H new ATOM 0 HD21 LEU A 74 104.863 -1.617 10.105 1.00 0.00 H new ATOM 0 HD22 LEU A 74 106.268 -2.411 10.856 1.00 0.00 H new ATOM 0 HD23 LEU A 74 105.312 -3.272 9.627 1.00 0.00 H new ATOM 1199 N GLU A 75 104.907 -7.525 12.976 1.00 0.00 N ATOM 1200 CA GLU A 75 105.666 -8.724 13.312 1.00 0.00 C ATOM 1201 C GLU A 75 105.339 -9.866 12.354 1.00 0.00 C ATOM 1202 O GLU A 75 106.236 -10.545 11.855 1.00 0.00 O ATOM 1203 CB GLU A 75 105.373 -9.152 14.752 1.00 0.00 C ATOM 1204 CG GLU A 75 106.613 -9.563 15.529 1.00 0.00 C ATOM 1205 CD GLU A 75 106.410 -9.491 17.029 1.00 0.00 C ATOM 1206 OE1 GLU A 75 105.248 -9.584 17.476 1.00 0.00 O ATOM 1207 OE2 GLU A 75 107.413 -9.342 17.758 1.00 0.00 O ATOM 0 H GLU A 75 104.308 -7.181 13.727 1.00 0.00 H new ATOM 0 HA GLU A 75 106.726 -8.488 13.217 1.00 0.00 H new ATOM 0 HB2 GLU A 75 104.883 -8.330 15.274 1.00 0.00 H new ATOM 0 HB3 GLU A 75 104.670 -9.985 14.739 1.00 0.00 H new ATOM 0 HG2 GLU A 75 106.891 -10.580 15.252 1.00 0.00 H new ATOM 0 HG3 GLU A 75 107.445 -8.917 15.247 1.00 0.00 H new ATOM 1214 N GLU A 76 104.051 -10.069 12.100 1.00 0.00 N ATOM 1215 CA GLU A 76 103.610 -11.129 11.199 1.00 0.00 C ATOM 1216 C GLU A 76 103.977 -10.800 9.756 1.00 0.00 C ATOM 1217 O GLU A 76 104.465 -11.657 9.018 1.00 0.00 O ATOM 1218 CB GLU A 76 102.100 -11.336 11.319 1.00 0.00 C ATOM 1219 CG GLU A 76 101.295 -10.458 10.378 1.00 0.00 C ATOM 1220 CD GLU A 76 99.805 -10.529 10.645 1.00 0.00 C ATOM 1221 OE1 GLU A 76 99.371 -11.467 11.348 1.00 0.00 O ATOM 1222 OE2 GLU A 76 99.070 -9.648 10.150 1.00 0.00 O ATOM 0 H GLU A 76 103.295 -9.516 12.504 1.00 0.00 H new ATOM 0 HA GLU A 76 104.118 -12.050 11.485 1.00 0.00 H new ATOM 0 HB2 GLU A 76 101.867 -12.381 11.117 1.00 0.00 H new ATOM 0 HB3 GLU A 76 101.793 -11.133 12.345 1.00 0.00 H new ATOM 0 HG2 GLU A 76 101.629 -9.425 10.476 1.00 0.00 H new ATOM 0 HG3 GLU A 76 101.491 -10.760 9.349 1.00 0.00 H new ATOM 1229 N LEU A 77 103.740 -9.554 9.361 1.00 0.00 N ATOM 1230 CA LEU A 77 104.048 -9.108 8.007 1.00 0.00 C ATOM 1231 C LEU A 77 105.235 -8.150 8.010 1.00 0.00 C ATOM 1232 O LEU A 77 105.143 -7.037 8.526 1.00 0.00 O ATOM 1233 CB LEU A 77 102.828 -8.429 7.381 1.00 0.00 C ATOM 1234 CG LEU A 77 102.487 -8.887 5.962 1.00 0.00 C ATOM 1235 CD1 LEU A 77 101.288 -9.823 5.979 1.00 0.00 C ATOM 1236 CD2 LEU A 77 102.217 -7.688 5.067 1.00 0.00 C ATOM 0 H LEU A 77 103.335 -8.834 9.960 1.00 0.00 H new ATOM 0 HA LEU A 77 104.311 -9.983 7.412 1.00 0.00 H new ATOM 0 HB2 LEU A 77 101.964 -8.607 8.021 1.00 0.00 H new ATOM 0 HB3 LEU A 77 102.998 -7.352 7.368 1.00 0.00 H new ATOM 0 HG LEU A 77 103.341 -9.431 5.559 1.00 0.00 H new ATOM 0 HD11 LEU A 77 101.059 -10.139 4.961 1.00 0.00 H new ATOM 0 HD12 LEU A 77 101.518 -10.697 6.588 1.00 0.00 H new ATOM 0 HD13 LEU A 77 100.427 -9.304 6.400 1.00 0.00 H new ATOM 0 HD21 LEU A 77 101.976 -8.032 4.061 1.00 0.00 H new ATOM 0 HD22 LEU A 77 101.378 -7.118 5.466 1.00 0.00 H new ATOM 0 HD23 LEU A 77 103.103 -7.054 5.031 1.00 0.00 H new ATOM 1248 N GLY A 78 106.347 -8.591 7.431 1.00 0.00 N ATOM 1249 CA GLY A 78 107.535 -7.759 7.381 1.00 0.00 C ATOM 1250 C GLY A 78 108.591 -8.310 6.443 1.00 0.00 C ATOM 1251 O GLY A 78 109.782 -8.063 6.627 1.00 0.00 O ATOM 0 H GLY A 78 106.447 -9.508 6.996 1.00 0.00 H new ATOM 0 HA2 GLY A 78 107.258 -6.755 7.061 1.00 0.00 H new ATOM 0 HA3 GLY A 78 107.955 -7.670 8.383 1.00 0.00 H new ATOM 1255 N GLN A 79 108.155 -9.065 5.440 1.00 0.00 N ATOM 1256 CA GLN A 79 109.074 -9.660 4.478 1.00 0.00 C ATOM 1257 C GLN A 79 109.407 -8.682 3.359 1.00 0.00 C ATOM 1258 O GLN A 79 109.491 -7.477 3.591 1.00 0.00 O ATOM 1259 CB GLN A 79 108.486 -10.958 3.923 1.00 0.00 C ATOM 1260 CG GLN A 79 108.082 -11.943 5.011 1.00 0.00 C ATOM 1261 CD GLN A 79 108.554 -11.509 6.386 1.00 0.00 C ATOM 1262 OE1 GLN A 79 107.752 -11.316 7.299 1.00 0.00 O ATOM 1263 NE2 GLN A 79 109.864 -11.352 6.539 1.00 0.00 N ATOM 0 H GLN A 79 107.172 -9.279 5.273 1.00 0.00 H new ATOM 0 HA GLN A 79 110.007 -9.896 4.990 1.00 0.00 H new ATOM 0 HB2 GLN A 79 107.615 -10.723 3.312 1.00 0.00 H new ATOM 0 HB3 GLN A 79 109.217 -11.430 3.267 1.00 0.00 H new ATOM 0 HG2 GLN A 79 106.997 -12.048 5.018 1.00 0.00 H new ATOM 0 HG3 GLN A 79 108.496 -12.925 4.781 1.00 0.00 H new ATOM 0 HE21 GLN A 79 110.493 -11.523 5.755 1.00 0.00 H new ATOM 0 HE22 GLN A 79 110.241 -11.060 7.441 1.00 0.00 H new ATOM 1272 N VAL A 80 109.625 -9.194 2.152 1.00 0.00 N ATOM 1273 CA VAL A 80 109.979 -8.337 1.033 1.00 0.00 C ATOM 1274 C VAL A 80 108.901 -7.304 0.743 1.00 0.00 C ATOM 1275 O VAL A 80 109.185 -6.110 0.686 1.00 0.00 O ATOM 1276 CB VAL A 80 110.237 -9.149 -0.251 1.00 0.00 C ATOM 1277 CG1 VAL A 80 111.694 -9.572 -0.336 1.00 0.00 C ATOM 1278 CG2 VAL A 80 109.314 -10.356 -0.318 1.00 0.00 C ATOM 0 H VAL A 80 109.563 -10.187 1.928 1.00 0.00 H new ATOM 0 HA VAL A 80 110.895 -7.826 1.329 1.00 0.00 H new ATOM 0 HB VAL A 80 110.021 -8.512 -1.108 1.00 0.00 H new ATOM 0 HG11 VAL A 80 111.854 -10.144 -1.250 1.00 0.00 H new ATOM 0 HG12 VAL A 80 112.330 -8.687 -0.346 1.00 0.00 H new ATOM 0 HG13 VAL A 80 111.945 -10.189 0.527 1.00 0.00 H new ATOM 0 HG21 VAL A 80 109.513 -10.916 -1.232 1.00 0.00 H new ATOM 0 HG22 VAL A 80 109.490 -10.997 0.546 1.00 0.00 H new ATOM 0 HG23 VAL A 80 108.277 -10.021 -0.316 1.00 0.00 H new ATOM 1288 N GLU A 81 107.663 -7.750 0.566 1.00 0.00 N ATOM 1289 CA GLU A 81 106.584 -6.818 0.270 1.00 0.00 C ATOM 1290 C GLU A 81 106.499 -5.744 1.341 1.00 0.00 C ATOM 1291 O GLU A 81 106.574 -4.551 1.042 1.00 0.00 O ATOM 1292 CB GLU A 81 105.249 -7.562 0.181 1.00 0.00 C ATOM 1293 CG GLU A 81 104.861 -7.957 -1.234 1.00 0.00 C ATOM 1294 CD GLU A 81 104.796 -6.771 -2.175 1.00 0.00 C ATOM 1295 OE1 GLU A 81 105.118 -5.647 -1.737 1.00 0.00 O ATOM 1296 OE2 GLU A 81 104.420 -6.965 -3.350 1.00 0.00 O ATOM 0 H GLU A 81 107.385 -8.730 0.621 1.00 0.00 H new ATOM 0 HA GLU A 81 106.795 -6.345 -0.689 1.00 0.00 H new ATOM 0 HB2 GLU A 81 105.302 -8.459 0.797 1.00 0.00 H new ATOM 0 HB3 GLU A 81 104.464 -6.933 0.601 1.00 0.00 H new ATOM 0 HG2 GLU A 81 105.582 -8.680 -1.616 1.00 0.00 H new ATOM 0 HG3 GLU A 81 103.891 -8.454 -1.215 1.00 0.00 H new ATOM 1303 N LYS A 82 106.391 -6.168 2.591 1.00 0.00 N ATOM 1304 CA LYS A 82 106.329 -5.231 3.701 1.00 0.00 C ATOM 1305 C LYS A 82 107.623 -4.445 3.784 1.00 0.00 C ATOM 1306 O LYS A 82 107.630 -3.271 4.152 1.00 0.00 O ATOM 1307 CB LYS A 82 106.080 -5.972 5.017 1.00 0.00 C ATOM 1308 CG LYS A 82 105.854 -5.047 6.205 1.00 0.00 C ATOM 1309 CD LYS A 82 107.160 -4.451 6.710 1.00 0.00 C ATOM 1310 CE LYS A 82 107.116 -4.200 8.209 1.00 0.00 C ATOM 1311 NZ LYS A 82 107.025 -5.467 8.985 1.00 0.00 N ATOM 0 H LYS A 82 106.345 -7.151 2.861 1.00 0.00 H new ATOM 0 HA LYS A 82 105.501 -4.542 3.531 1.00 0.00 H new ATOM 0 HB2 LYS A 82 105.211 -6.619 4.901 1.00 0.00 H new ATOM 0 HB3 LYS A 82 106.932 -6.618 5.227 1.00 0.00 H new ATOM 0 HG2 LYS A 82 105.175 -4.244 5.917 1.00 0.00 H new ATOM 0 HG3 LYS A 82 105.371 -5.600 7.010 1.00 0.00 H new ATOM 0 HD2 LYS A 82 107.983 -5.126 6.477 1.00 0.00 H new ATOM 0 HD3 LYS A 82 107.359 -3.514 6.189 1.00 0.00 H new ATOM 0 HE2 LYS A 82 108.009 -3.653 8.511 1.00 0.00 H new ATOM 0 HE3 LYS A 82 106.260 -3.568 8.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 106.679 -5.263 9.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 106.367 -6.118 8.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 107.966 -5.907 9.043 1.00 0.00 H new ATOM 1325 N ALA A 83 108.717 -5.100 3.420 1.00 0.00 N ATOM 1326 CA ALA A 83 110.017 -4.464 3.437 1.00 0.00 C ATOM 1327 C ALA A 83 110.126 -3.445 2.313 1.00 0.00 C ATOM 1328 O ALA A 83 110.717 -2.378 2.482 1.00 0.00 O ATOM 1329 CB ALA A 83 111.117 -5.513 3.334 1.00 0.00 C ATOM 0 H ALA A 83 108.725 -6.072 3.110 1.00 0.00 H new ATOM 0 HA ALA A 83 110.138 -3.935 4.382 1.00 0.00 H new ATOM 0 HB1 ALA A 83 112.090 -5.022 3.348 1.00 0.00 H new ATOM 0 HB2 ALA A 83 111.045 -6.200 4.177 1.00 0.00 H new ATOM 0 HB3 ALA A 83 111.004 -6.069 2.403 1.00 0.00 H new ATOM 1335 N VAL A 84 109.540 -3.778 1.166 1.00 0.00 N ATOM 1336 CA VAL A 84 109.576 -2.897 0.009 1.00 0.00 C ATOM 1337 C VAL A 84 108.970 -1.548 0.337 1.00 0.00 C ATOM 1338 O VAL A 84 109.534 -0.503 0.011 1.00 0.00 O ATOM 1339 CB VAL A 84 108.837 -3.518 -1.188 1.00 0.00 C ATOM 1340 CG1 VAL A 84 108.002 -2.468 -1.905 1.00 0.00 C ATOM 1341 CG2 VAL A 84 109.829 -4.170 -2.142 1.00 0.00 C ATOM 0 H VAL A 84 109.036 -4.652 1.016 1.00 0.00 H new ATOM 0 HA VAL A 84 110.623 -2.759 -0.261 1.00 0.00 H new ATOM 0 HB VAL A 84 108.162 -4.289 -0.818 1.00 0.00 H new ATOM 0 HG11 VAL A 84 107.487 -2.927 -2.749 1.00 0.00 H new ATOM 0 HG12 VAL A 84 107.268 -2.053 -1.214 1.00 0.00 H new ATOM 0 HG13 VAL A 84 108.652 -1.671 -2.266 1.00 0.00 H new ATOM 0 HG21 VAL A 84 109.291 -4.605 -2.984 1.00 0.00 H new ATOM 0 HG22 VAL A 84 110.530 -3.419 -2.508 1.00 0.00 H new ATOM 0 HG23 VAL A 84 110.377 -4.953 -1.618 1.00 0.00 H new ATOM 1351 N LEU A 85 107.826 -1.576 0.997 1.00 0.00 N ATOM 1352 CA LEU A 85 107.151 -0.355 1.387 1.00 0.00 C ATOM 1353 C LEU A 85 107.937 0.364 2.477 1.00 0.00 C ATOM 1354 O LEU A 85 107.941 1.593 2.543 1.00 0.00 O ATOM 1355 CB LEU A 85 105.737 -0.665 1.878 1.00 0.00 C ATOM 1356 CG LEU A 85 104.884 -1.489 0.912 1.00 0.00 C ATOM 1357 CD1 LEU A 85 103.752 -2.181 1.655 1.00 0.00 C ATOM 1358 CD2 LEU A 85 104.336 -0.606 -0.198 1.00 0.00 C ATOM 0 H LEU A 85 107.346 -2.433 1.273 1.00 0.00 H new ATOM 0 HA LEU A 85 107.087 0.297 0.516 1.00 0.00 H new ATOM 0 HB2 LEU A 85 105.806 -1.200 2.825 1.00 0.00 H new ATOM 0 HB3 LEU A 85 105.224 0.275 2.080 1.00 0.00 H new ATOM 0 HG LEU A 85 105.515 -2.255 0.462 1.00 0.00 H new ATOM 0 HD11 LEU A 85 103.156 -2.762 0.951 1.00 0.00 H new ATOM 0 HD12 LEU A 85 104.167 -2.845 2.414 1.00 0.00 H new ATOM 0 HD13 LEU A 85 103.120 -1.433 2.134 1.00 0.00 H new ATOM 0 HD21 LEU A 85 103.731 -1.208 -0.877 1.00 0.00 H new ATOM 0 HD22 LEU A 85 103.720 0.182 0.235 1.00 0.00 H new ATOM 0 HD23 LEU A 85 105.163 -0.159 -0.749 1.00 0.00 H new ATOM 1370 N ARG A 86 108.611 -0.408 3.328 1.00 0.00 N ATOM 1371 CA ARG A 86 109.386 0.172 4.418 1.00 0.00 C ATOM 1372 C ARG A 86 110.440 1.119 3.874 1.00 0.00 C ATOM 1373 O ARG A 86 110.569 2.252 4.339 1.00 0.00 O ATOM 1374 CB ARG A 86 110.049 -0.930 5.247 1.00 0.00 C ATOM 1375 CG ARG A 86 110.934 -0.403 6.364 1.00 0.00 C ATOM 1376 CD ARG A 86 110.622 -1.079 7.690 1.00 0.00 C ATOM 1377 NE ARG A 86 111.790 -1.752 8.250 1.00 0.00 N ATOM 1378 CZ ARG A 86 111.717 -2.782 9.087 1.00 0.00 C ATOM 1379 NH1 ARG A 86 110.535 -3.254 9.459 1.00 0.00 N ATOM 1380 NH2 ARG A 86 112.826 -3.340 9.553 1.00 0.00 N ATOM 0 H ARG A 86 108.635 -1.427 3.283 1.00 0.00 H new ATOM 0 HA ARG A 86 108.708 0.734 5.060 1.00 0.00 H new ATOM 0 HB2 ARG A 86 109.275 -1.565 5.677 1.00 0.00 H new ATOM 0 HB3 ARG A 86 110.647 -1.559 4.588 1.00 0.00 H new ATOM 0 HG2 ARG A 86 111.981 -0.567 6.108 1.00 0.00 H new ATOM 0 HG3 ARG A 86 110.795 0.674 6.462 1.00 0.00 H new ATOM 0 HD2 ARG A 86 110.258 -0.335 8.399 1.00 0.00 H new ATOM 0 HD3 ARG A 86 109.820 -1.803 7.548 1.00 0.00 H new ATOM 0 HE ARG A 86 112.714 -1.413 7.984 1.00 0.00 H new ATOM 0 HH11 ARG A 86 109.680 -2.827 9.103 1.00 0.00 H new ATOM 0 HH12 ARG A 86 110.481 -4.044 10.101 1.00 0.00 H new ATOM 0 HH21 ARG A 86 113.737 -2.979 9.269 1.00 0.00 H new ATOM 0 HH22 ARG A 86 112.768 -4.130 10.195 1.00 0.00 H new ATOM 1394 N ILE A 87 111.174 0.664 2.871 1.00 0.00 N ATOM 1395 CA ILE A 87 112.193 1.491 2.258 1.00 0.00 C ATOM 1396 C ILE A 87 111.551 2.682 1.563 1.00 0.00 C ATOM 1397 O ILE A 87 112.111 3.780 1.539 1.00 0.00 O ATOM 1398 CB ILE A 87 113.028 0.697 1.234 1.00 0.00 C ATOM 1399 CG1 ILE A 87 112.115 0.042 0.193 1.00 0.00 C ATOM 1400 CG2 ILE A 87 113.873 -0.353 1.940 1.00 0.00 C ATOM 1401 CD1 ILE A 87 112.831 -0.345 -1.083 1.00 0.00 C ATOM 0 H ILE A 87 111.082 -0.269 2.468 1.00 0.00 H new ATOM 0 HA ILE A 87 112.857 1.835 3.051 1.00 0.00 H new ATOM 0 HB ILE A 87 113.696 1.388 0.720 1.00 0.00 H new ATOM 0 HG12 ILE A 87 111.661 -0.848 0.629 1.00 0.00 H new ATOM 0 HG13 ILE A 87 111.303 0.728 -0.049 1.00 0.00 H new ATOM 0 HG21 ILE A 87 114.457 -0.905 1.204 1.00 0.00 H new ATOM 0 HG22 ILE A 87 114.546 0.135 2.645 1.00 0.00 H new ATOM 0 HG23 ILE A 87 113.222 -1.042 2.478 1.00 0.00 H new ATOM 0 HD11 ILE A 87 112.122 -0.803 -1.773 1.00 0.00 H new ATOM 0 HD12 ILE A 87 113.262 0.544 -1.542 1.00 0.00 H new ATOM 0 HD13 ILE A 87 113.625 -1.056 -0.854 1.00 0.00 H new ATOM 1413 N ALA A 88 110.358 2.461 1.014 1.00 0.00 N ATOM 1414 CA ALA A 88 109.633 3.516 0.325 1.00 0.00 C ATOM 1415 C ALA A 88 109.344 4.670 1.267 1.00 0.00 C ATOM 1416 O ALA A 88 109.302 5.828 0.855 1.00 0.00 O ATOM 1417 CB ALA A 88 108.340 2.973 -0.264 1.00 0.00 C ATOM 0 H ALA A 88 109.877 1.562 1.035 1.00 0.00 H new ATOM 0 HA ALA A 88 110.256 3.887 -0.489 1.00 0.00 H new ATOM 0 HB1 ALA A 88 107.809 3.775 -0.777 1.00 0.00 H new ATOM 0 HB2 ALA A 88 108.569 2.178 -0.974 1.00 0.00 H new ATOM 0 HB3 ALA A 88 107.714 2.576 0.536 1.00 0.00 H new ATOM 1423 N LEU A 89 109.158 4.346 2.539 1.00 0.00 N ATOM 1424 CA LEU A 89 108.874 5.359 3.537 1.00 0.00 C ATOM 1425 C LEU A 89 110.017 6.359 3.615 1.00 0.00 C ATOM 1426 O LEU A 89 109.796 7.571 3.637 1.00 0.00 O ATOM 1427 CB LEU A 89 108.652 4.706 4.904 1.00 0.00 C ATOM 1428 CG LEU A 89 107.570 3.624 4.940 1.00 0.00 C ATOM 1429 CD1 LEU A 89 107.359 3.126 6.362 1.00 0.00 C ATOM 1430 CD2 LEU A 89 106.268 4.153 4.356 1.00 0.00 C ATOM 0 H LEU A 89 109.199 3.393 2.900 1.00 0.00 H new ATOM 0 HA LEU A 89 107.966 5.888 3.247 1.00 0.00 H new ATOM 0 HB2 LEU A 89 109.593 4.268 5.237 1.00 0.00 H new ATOM 0 HB3 LEU A 89 108.391 5.483 5.622 1.00 0.00 H new ATOM 0 HG LEU A 89 107.902 2.784 4.330 1.00 0.00 H new ATOM 0 HD11 LEU A 89 106.586 2.357 6.367 1.00 0.00 H new ATOM 0 HD12 LEU A 89 108.290 2.707 6.743 1.00 0.00 H new ATOM 0 HD13 LEU A 89 107.049 3.957 6.996 1.00 0.00 H new ATOM 0 HD21 LEU A 89 105.510 3.371 4.389 1.00 0.00 H new ATOM 0 HD22 LEU A 89 105.930 5.011 4.938 1.00 0.00 H new ATOM 0 HD23 LEU A 89 106.430 4.457 3.322 1.00 0.00 H new ATOM 1442 N TYR A 90 111.245 5.853 3.629 1.00 0.00 N ATOM 1443 CA TYR A 90 112.408 6.721 3.687 1.00 0.00 C ATOM 1444 C TYR A 90 112.549 7.495 2.386 1.00 0.00 C ATOM 1445 O TYR A 90 113.075 8.608 2.364 1.00 0.00 O ATOM 1446 CB TYR A 90 113.682 5.922 3.971 1.00 0.00 C ATOM 1447 CG TYR A 90 114.563 6.541 5.038 1.00 0.00 C ATOM 1448 CD1 TYR A 90 114.376 7.858 5.454 1.00 0.00 C ATOM 1449 CD2 TYR A 90 115.584 5.806 5.634 1.00 0.00 C ATOM 1450 CE1 TYR A 90 115.180 8.419 6.429 1.00 0.00 C ATOM 1451 CE2 TYR A 90 116.390 6.363 6.610 1.00 0.00 C ATOM 1452 CZ TYR A 90 116.184 7.668 7.003 1.00 0.00 C ATOM 1453 OH TYR A 90 116.984 8.225 7.974 1.00 0.00 O ATOM 0 H TYR A 90 111.457 4.856 3.601 1.00 0.00 H new ATOM 0 HA TYR A 90 112.264 7.426 4.506 1.00 0.00 H new ATOM 0 HB2 TYR A 90 113.407 4.913 4.279 1.00 0.00 H new ATOM 0 HB3 TYR A 90 114.255 5.828 3.048 1.00 0.00 H new ATOM 0 HD1 TYR A 90 113.591 8.450 5.008 1.00 0.00 H new ATOM 0 HD2 TYR A 90 115.749 4.783 5.329 1.00 0.00 H new ATOM 0 HE1 TYR A 90 115.022 9.441 6.740 1.00 0.00 H new ATOM 0 HE2 TYR A 90 117.177 5.778 7.062 1.00 0.00 H new ATOM 0 HH TYR A 90 117.641 7.563 8.276 1.00 0.00 H new ATOM 1463 N GLU A 91 112.070 6.896 1.303 1.00 0.00 N ATOM 1464 CA GLU A 91 112.137 7.527 -0.006 1.00 0.00 C ATOM 1465 C GLU A 91 111.515 8.915 0.039 1.00 0.00 C ATOM 1466 O GLU A 91 111.979 9.837 -0.631 1.00 0.00 O ATOM 1467 CB GLU A 91 111.420 6.666 -1.049 1.00 0.00 C ATOM 1468 CG GLU A 91 112.098 6.668 -2.410 1.00 0.00 C ATOM 1469 CD GLU A 91 111.363 5.817 -3.428 1.00 0.00 C ATOM 1470 OE1 GLU A 91 110.245 5.355 -3.119 1.00 0.00 O ATOM 1471 OE2 GLU A 91 111.907 5.614 -4.534 1.00 0.00 O ATOM 0 H GLU A 91 111.632 5.975 1.307 1.00 0.00 H new ATOM 0 HA GLU A 91 113.186 7.622 -0.288 1.00 0.00 H new ATOM 0 HB2 GLU A 91 111.361 5.641 -0.683 1.00 0.00 H new ATOM 0 HB3 GLU A 91 110.397 7.024 -1.162 1.00 0.00 H new ATOM 0 HG2 GLU A 91 112.164 7.692 -2.778 1.00 0.00 H new ATOM 0 HG3 GLU A 91 113.119 6.301 -2.304 1.00 0.00 H new ATOM 1478 N LEU A 92 110.461 9.060 0.837 1.00 0.00 N ATOM 1479 CA LEU A 92 109.780 10.338 0.970 1.00 0.00 C ATOM 1480 C LEU A 92 110.652 11.346 1.713 1.00 0.00 C ATOM 1481 O LEU A 92 110.665 12.533 1.384 1.00 0.00 O ATOM 1482 CB LEU A 92 108.448 10.149 1.697 1.00 0.00 C ATOM 1483 CG LEU A 92 107.530 9.089 1.088 1.00 0.00 C ATOM 1484 CD1 LEU A 92 106.905 8.234 2.178 1.00 0.00 C ATOM 1485 CD2 LEU A 92 106.455 9.744 0.236 1.00 0.00 C ATOM 0 H LEU A 92 110.063 8.308 1.399 1.00 0.00 H new ATOM 0 HA LEU A 92 109.587 10.730 -0.029 1.00 0.00 H new ATOM 0 HB2 LEU A 92 108.651 9.881 2.734 1.00 0.00 H new ATOM 0 HB3 LEU A 92 107.920 11.102 1.711 1.00 0.00 H new ATOM 0 HG LEU A 92 108.128 8.441 0.447 1.00 0.00 H new ATOM 0 HD11 LEU A 92 106.255 7.485 1.725 1.00 0.00 H new ATOM 0 HD12 LEU A 92 107.691 7.736 2.746 1.00 0.00 H new ATOM 0 HD13 LEU A 92 106.320 8.866 2.846 1.00 0.00 H new ATOM 0 HD21 LEU A 92 105.810 8.976 -0.190 1.00 0.00 H new ATOM 0 HD22 LEU A 92 105.859 10.416 0.854 1.00 0.00 H new ATOM 0 HD23 LEU A 92 106.924 10.311 -0.568 1.00 0.00 H new ATOM 1497 N SER A 93 111.378 10.865 2.718 1.00 0.00 N ATOM 1498 CA SER A 93 112.251 11.723 3.511 1.00 0.00 C ATOM 1499 C SER A 93 113.523 12.070 2.745 1.00 0.00 C ATOM 1500 O SER A 93 113.932 13.230 2.693 1.00 0.00 O ATOM 1501 CB SER A 93 112.608 11.040 4.832 1.00 0.00 C ATOM 1502 OG SER A 93 113.998 10.771 4.909 1.00 0.00 O ATOM 0 H SER A 93 111.379 9.885 3.002 1.00 0.00 H new ATOM 0 HA SER A 93 111.714 12.648 3.720 1.00 0.00 H new ATOM 0 HB2 SER A 93 112.311 11.676 5.666 1.00 0.00 H new ATOM 0 HB3 SER A 93 112.049 10.109 4.926 1.00 0.00 H new ATOM 0 HG SER A 93 114.145 9.958 5.436 1.00 0.00 H new ATOM 1508 N LYS A 94 114.147 11.057 2.153 1.00 0.00 N ATOM 1509 CA LYS A 94 115.374 11.256 1.390 1.00 0.00 C ATOM 1510 C LYS A 94 115.065 11.691 -0.039 1.00 0.00 C ATOM 1511 O LYS A 94 115.946 11.709 -0.897 1.00 0.00 O ATOM 1512 CB LYS A 94 116.203 9.971 1.377 1.00 0.00 C ATOM 1513 CG LYS A 94 116.535 9.448 2.765 1.00 0.00 C ATOM 1514 CD LYS A 94 117.376 10.443 3.549 1.00 0.00 C ATOM 1515 CE LYS A 94 117.065 10.388 5.036 1.00 0.00 C ATOM 1516 NZ LYS A 94 117.422 11.657 5.726 1.00 0.00 N ATOM 0 H LYS A 94 113.823 10.090 2.187 1.00 0.00 H new ATOM 0 HA LYS A 94 115.948 12.047 1.873 1.00 0.00 H new ATOM 0 HB2 LYS A 94 115.658 9.202 0.829 1.00 0.00 H new ATOM 0 HB3 LYS A 94 117.131 10.152 0.834 1.00 0.00 H new ATOM 0 HG2 LYS A 94 115.612 9.243 3.308 1.00 0.00 H new ATOM 0 HG3 LYS A 94 117.072 8.503 2.680 1.00 0.00 H new ATOM 0 HD2 LYS A 94 118.433 10.232 3.390 1.00 0.00 H new ATOM 0 HD3 LYS A 94 117.192 11.450 3.175 1.00 0.00 H new ATOM 0 HE2 LYS A 94 116.004 10.184 5.177 1.00 0.00 H new ATOM 0 HE3 LYS A 94 117.611 9.562 5.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 117.194 11.578 6.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 118.440 11.839 5.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 116.882 12.442 5.310 1.00 0.00 H new ATOM 1530 N ARG A 95 113.807 12.042 -0.287 1.00 0.00 N ATOM 1531 CA ARG A 95 113.382 12.478 -1.611 1.00 0.00 C ATOM 1532 C ARG A 95 114.335 13.530 -2.169 1.00 0.00 C ATOM 1533 O ARG A 95 114.705 14.477 -1.477 1.00 0.00 O ATOM 1534 CB ARG A 95 111.960 13.039 -1.551 1.00 0.00 C ATOM 1535 CG ARG A 95 111.902 14.557 -1.586 1.00 0.00 C ATOM 1536 CD ARG A 95 112.489 15.166 -0.322 1.00 0.00 C ATOM 1537 NE ARG A 95 111.481 15.348 0.718 1.00 0.00 N ATOM 1538 CZ ARG A 95 111.742 15.865 1.914 1.00 0.00 C ATOM 1539 NH1 ARG A 95 112.975 16.247 2.219 1.00 0.00 N ATOM 1540 NH2 ARG A 95 110.771 15.999 2.807 1.00 0.00 N ATOM 0 H ARG A 95 113.065 12.033 0.412 1.00 0.00 H new ATOM 0 HA ARG A 95 113.397 11.614 -2.275 1.00 0.00 H new ATOM 0 HB2 ARG A 95 111.387 12.643 -2.389 1.00 0.00 H new ATOM 0 HB3 ARG A 95 111.478 12.686 -0.639 1.00 0.00 H new ATOM 0 HG2 ARG A 95 112.448 14.923 -2.455 1.00 0.00 H new ATOM 0 HG3 ARG A 95 110.867 14.880 -1.700 1.00 0.00 H new ATOM 0 HD2 ARG A 95 113.285 14.523 0.054 1.00 0.00 H new ATOM 0 HD3 ARG A 95 112.942 16.129 -0.560 1.00 0.00 H new ATOM 0 HE ARG A 95 110.523 15.062 0.515 1.00 0.00 H new ATOM 0 HH11 ARG A 95 113.725 16.144 1.535 1.00 0.00 H new ATOM 0 HH12 ARG A 95 113.174 16.644 3.138 1.00 0.00 H new ATOM 0 HH21 ARG A 95 109.822 15.705 2.576 1.00 0.00 H new ATOM 0 HH22 ARG A 95 110.973 16.396 3.725 1.00 0.00 H new ATOM 1554 N SER A 96 114.730 13.356 -3.427 1.00 0.00 N ATOM 1555 CA SER A 96 115.639 14.291 -4.079 1.00 0.00 C ATOM 1556 C SER A 96 114.877 15.482 -4.650 1.00 0.00 C ATOM 1557 O SER A 96 115.207 16.634 -4.369 1.00 0.00 O ATOM 1558 CB SER A 96 116.417 13.586 -5.192 1.00 0.00 C ATOM 1559 OG SER A 96 117.267 12.582 -4.664 1.00 0.00 O ATOM 0 H SER A 96 114.434 12.576 -4.014 1.00 0.00 H new ATOM 0 HA SER A 96 116.342 14.658 -3.331 1.00 0.00 H new ATOM 0 HB2 SER A 96 115.720 13.140 -5.901 1.00 0.00 H new ATOM 0 HB3 SER A 96 117.010 14.316 -5.744 1.00 0.00 H new ATOM 0 HG SER A 96 117.751 12.146 -5.396 1.00 0.00 H new ATOM 1565 N ASP A 97 113.857 15.196 -5.451 1.00 0.00 N ATOM 1566 CA ASP A 97 113.046 16.244 -6.061 1.00 0.00 C ATOM 1567 C ASP A 97 111.713 15.686 -6.548 1.00 0.00 C ATOM 1568 O ASP A 97 111.360 15.825 -7.719 1.00 0.00 O ATOM 1569 CB ASP A 97 113.798 16.886 -7.228 1.00 0.00 C ATOM 1570 CG ASP A 97 114.872 15.978 -7.796 1.00 0.00 C ATOM 1571 OD1 ASP A 97 115.980 15.937 -7.222 1.00 0.00 O ATOM 1572 OD2 ASP A 97 114.603 15.307 -8.815 1.00 0.00 O ATOM 0 H ASP A 97 113.572 14.247 -5.693 1.00 0.00 H new ATOM 0 HA ASP A 97 112.848 17.002 -5.303 1.00 0.00 H new ATOM 0 HB2 ASP A 97 113.089 17.142 -8.016 1.00 0.00 H new ATOM 0 HB3 ASP A 97 114.254 17.818 -6.894 1.00 0.00 H new ATOM 1577 N VAL A 98 110.975 15.052 -5.640 1.00 0.00 N ATOM 1578 CA VAL A 98 109.681 14.473 -5.977 1.00 0.00 C ATOM 1579 C VAL A 98 108.565 15.095 -5.145 1.00 0.00 C ATOM 1580 O VAL A 98 108.721 15.320 -3.945 1.00 0.00 O ATOM 1581 CB VAL A 98 109.676 12.949 -5.765 1.00 0.00 C ATOM 1582 CG1 VAL A 98 110.159 12.232 -7.015 1.00 0.00 C ATOM 1583 CG2 VAL A 98 110.531 12.575 -4.563 1.00 0.00 C ATOM 0 H VAL A 98 111.252 14.927 -4.666 1.00 0.00 H new ATOM 0 HA VAL A 98 109.505 14.686 -7.031 1.00 0.00 H new ATOM 0 HB VAL A 98 108.652 12.632 -5.567 1.00 0.00 H new ATOM 0 HG11 VAL A 98 110.148 11.156 -6.844 1.00 0.00 H new ATOM 0 HG12 VAL A 98 109.501 12.474 -7.850 1.00 0.00 H new ATOM 0 HG13 VAL A 98 111.175 12.552 -7.248 1.00 0.00 H new ATOM 0 HG21 VAL A 98 110.516 11.493 -4.428 1.00 0.00 H new ATOM 0 HG22 VAL A 98 111.556 12.906 -4.729 1.00 0.00 H new ATOM 0 HG23 VAL A 98 110.134 13.058 -3.670 1.00 0.00 H new ATOM 1593 N PRO A 99 107.419 15.379 -5.780 1.00 0.00 N ATOM 1594 CA PRO A 99 106.263 15.980 -5.105 1.00 0.00 C ATOM 1595 C PRO A 99 105.704 15.088 -4.001 1.00 0.00 C ATOM 1596 O PRO A 99 105.981 15.300 -2.819 1.00 0.00 O ATOM 1597 CB PRO A 99 105.232 16.147 -6.229 1.00 0.00 C ATOM 1598 CG PRO A 99 105.666 15.205 -7.299 1.00 0.00 C ATOM 1599 CD PRO A 99 107.163 15.140 -7.208 1.00 0.00 C ATOM 0 HA PRO A 99 106.527 16.915 -4.610 1.00 0.00 H new ATOM 0 HB2 PRO A 99 104.227 15.911 -5.880 1.00 0.00 H new ATOM 0 HB3 PRO A 99 105.209 17.174 -6.594 1.00 0.00 H new ATOM 0 HG2 PRO A 99 105.223 14.220 -7.155 1.00 0.00 H new ATOM 0 HG3 PRO A 99 105.349 15.557 -8.281 1.00 0.00 H new ATOM 0 HD2 PRO A 99 107.545 14.171 -7.530 1.00 0.00 H new ATOM 0 HD3 PRO A 99 107.638 15.894 -7.835 1.00 0.00 H new ATOM 1607 N TYR A 100 104.910 14.096 -4.390 1.00 0.00 N ATOM 1608 CA TYR A 100 104.307 13.177 -3.431 1.00 0.00 C ATOM 1609 C TYR A 100 103.681 11.983 -4.146 1.00 0.00 C ATOM 1610 O TYR A 100 103.946 10.831 -3.801 1.00 0.00 O ATOM 1611 CB TYR A 100 103.249 13.913 -2.598 1.00 0.00 C ATOM 1612 CG TYR A 100 102.326 13.004 -1.808 1.00 0.00 C ATOM 1613 CD1 TYR A 100 101.449 12.137 -2.452 1.00 0.00 C ATOM 1614 CD2 TYR A 100 102.324 13.021 -0.418 1.00 0.00 C ATOM 1615 CE1 TYR A 100 100.603 11.316 -1.733 1.00 0.00 C ATOM 1616 CE2 TYR A 100 101.477 12.203 0.305 1.00 0.00 C ATOM 1617 CZ TYR A 100 100.621 11.352 -0.359 1.00 0.00 C ATOM 1618 OH TYR A 100 99.770 10.541 0.351 1.00 0.00 O ATOM 0 H TYR A 100 104.669 13.908 -5.363 1.00 0.00 H new ATOM 0 HA TYR A 100 105.088 12.805 -2.768 1.00 0.00 H new ATOM 0 HB2 TYR A 100 103.754 14.587 -1.906 1.00 0.00 H new ATOM 0 HB3 TYR A 100 102.647 14.532 -3.263 1.00 0.00 H new ATOM 0 HD1 TYR A 100 101.430 12.106 -3.531 1.00 0.00 H new ATOM 0 HD2 TYR A 100 102.996 13.685 0.106 1.00 0.00 H new ATOM 0 HE1 TYR A 100 99.929 10.648 -2.249 1.00 0.00 H new ATOM 0 HE2 TYR A 100 101.486 12.231 1.385 1.00 0.00 H new ATOM 0 HH TYR A 100 100.125 9.628 0.366 1.00 0.00 H new ATOM 1628 N LYS A 101 102.845 12.268 -5.139 1.00 0.00 N ATOM 1629 CA LYS A 101 102.171 11.219 -5.897 1.00 0.00 C ATOM 1630 C LYS A 101 103.175 10.291 -6.573 1.00 0.00 C ATOM 1631 O LYS A 101 102.960 9.081 -6.650 1.00 0.00 O ATOM 1632 CB LYS A 101 101.246 11.837 -6.947 1.00 0.00 C ATOM 1633 CG LYS A 101 101.695 11.584 -8.377 1.00 0.00 C ATOM 1634 CD LYS A 101 101.342 10.177 -8.830 1.00 0.00 C ATOM 1635 CE LYS A 101 100.038 10.153 -9.612 1.00 0.00 C ATOM 1636 NZ LYS A 101 99.370 8.824 -9.540 1.00 0.00 N ATOM 0 H LYS A 101 102.618 13.216 -5.438 1.00 0.00 H new ATOM 0 HA LYS A 101 101.580 10.629 -5.197 1.00 0.00 H new ATOM 0 HB2 LYS A 101 100.241 11.437 -6.814 1.00 0.00 H new ATOM 0 HB3 LYS A 101 101.186 12.912 -6.779 1.00 0.00 H new ATOM 0 HG2 LYS A 101 101.225 12.310 -9.041 1.00 0.00 H new ATOM 0 HG3 LYS A 101 102.772 11.733 -8.453 1.00 0.00 H new ATOM 0 HD2 LYS A 101 102.146 9.781 -9.450 1.00 0.00 H new ATOM 0 HD3 LYS A 101 101.258 9.524 -7.961 1.00 0.00 H new ATOM 0 HE2 LYS A 101 99.367 10.918 -9.222 1.00 0.00 H new ATOM 0 HE3 LYS A 101 100.235 10.404 -10.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 98.485 8.850 -10.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 100.000 8.097 -9.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 99.158 8.595 -8.548 1.00 0.00 H new ATOM 1650 N VAL A 102 104.269 10.863 -7.063 1.00 0.00 N ATOM 1651 CA VAL A 102 105.294 10.080 -7.737 1.00 0.00 C ATOM 1652 C VAL A 102 105.855 9.000 -6.821 1.00 0.00 C ATOM 1653 O VAL A 102 106.174 7.899 -7.270 1.00 0.00 O ATOM 1654 CB VAL A 102 106.451 10.972 -8.226 1.00 0.00 C ATOM 1655 CG1 VAL A 102 107.269 11.478 -7.050 1.00 0.00 C ATOM 1656 CG2 VAL A 102 107.329 10.215 -9.211 1.00 0.00 C ATOM 0 H VAL A 102 104.467 11.862 -7.006 1.00 0.00 H new ATOM 0 HA VAL A 102 104.816 9.610 -8.597 1.00 0.00 H new ATOM 0 HB VAL A 102 106.028 11.835 -8.741 1.00 0.00 H new ATOM 0 HG11 VAL A 102 108.081 12.106 -7.415 1.00 0.00 H new ATOM 0 HG12 VAL A 102 106.630 12.061 -6.386 1.00 0.00 H new ATOM 0 HG13 VAL A 102 107.683 10.631 -6.503 1.00 0.00 H new ATOM 0 HG21 VAL A 102 108.141 10.861 -9.546 1.00 0.00 H new ATOM 0 HG22 VAL A 102 107.744 9.332 -8.724 1.00 0.00 H new ATOM 0 HG23 VAL A 102 106.732 9.909 -10.070 1.00 0.00 H new ATOM 1666 N ALA A 103 105.963 9.311 -5.533 1.00 0.00 N ATOM 1667 CA ALA A 103 106.477 8.353 -4.565 1.00 0.00 C ATOM 1668 C ALA A 103 105.599 7.109 -4.523 1.00 0.00 C ATOM 1669 O ALA A 103 106.095 5.988 -4.413 1.00 0.00 O ATOM 1670 CB ALA A 103 106.566 8.989 -3.185 1.00 0.00 C ATOM 0 H ALA A 103 105.702 10.215 -5.138 1.00 0.00 H new ATOM 0 HA ALA A 103 107.479 8.055 -4.875 1.00 0.00 H new ATOM 0 HB1 ALA A 103 106.952 8.260 -2.473 1.00 0.00 H new ATOM 0 HB2 ALA A 103 107.235 9.849 -3.223 1.00 0.00 H new ATOM 0 HB3 ALA A 103 105.575 9.315 -2.870 1.00 0.00 H new ATOM 1676 N ILE A 104 104.289 7.317 -4.614 1.00 0.00 N ATOM 1677 CA ILE A 104 103.333 6.220 -4.588 1.00 0.00 C ATOM 1678 C ILE A 104 103.493 5.318 -5.807 1.00 0.00 C ATOM 1679 O ILE A 104 103.225 4.118 -5.745 1.00 0.00 O ATOM 1680 CB ILE A 104 101.887 6.743 -4.529 1.00 0.00 C ATOM 1681 CG1 ILE A 104 101.598 7.340 -3.149 1.00 0.00 C ATOM 1682 CG2 ILE A 104 100.905 5.626 -4.849 1.00 0.00 C ATOM 1683 CD1 ILE A 104 102.834 7.845 -2.432 1.00 0.00 C ATOM 0 H ILE A 104 103.866 8.240 -4.707 1.00 0.00 H new ATOM 0 HA ILE A 104 103.538 5.640 -3.688 1.00 0.00 H new ATOM 0 HB ILE A 104 101.766 7.527 -5.277 1.00 0.00 H new ATOM 0 HG12 ILE A 104 100.892 8.163 -3.260 1.00 0.00 H new ATOM 0 HG13 ILE A 104 101.113 6.585 -2.531 1.00 0.00 H new ATOM 0 HG21 ILE A 104 99.887 6.012 -4.803 1.00 0.00 H new ATOM 0 HG22 ILE A 104 101.103 5.243 -5.850 1.00 0.00 H new ATOM 0 HG23 ILE A 104 101.021 4.821 -4.123 1.00 0.00 H new ATOM 0 HD11 ILE A 104 102.551 8.253 -1.462 1.00 0.00 H new ATOM 0 HD12 ILE A 104 103.533 7.021 -2.289 1.00 0.00 H new ATOM 0 HD13 ILE A 104 103.308 8.624 -3.029 1.00 0.00 H new ATOM 1695 N ASN A 105 103.931 5.905 -6.914 1.00 0.00 N ATOM 1696 CA ASN A 105 104.126 5.157 -8.151 1.00 0.00 C ATOM 1697 C ASN A 105 105.120 4.016 -7.952 1.00 0.00 C ATOM 1698 O ASN A 105 105.042 2.989 -8.627 1.00 0.00 O ATOM 1699 CB ASN A 105 104.617 6.088 -9.261 1.00 0.00 C ATOM 1700 CG ASN A 105 103.923 5.828 -10.583 1.00 0.00 C ATOM 1701 OD1 ASN A 105 103.250 4.811 -10.756 1.00 0.00 O ATOM 1702 ND2 ASN A 105 104.084 6.749 -11.527 1.00 0.00 N ATOM 0 H ASN A 105 104.158 6.897 -6.981 1.00 0.00 H new ATOM 0 HA ASN A 105 103.166 4.729 -8.440 1.00 0.00 H new ATOM 0 HB2 ASN A 105 104.450 7.123 -8.964 1.00 0.00 H new ATOM 0 HB3 ASN A 105 105.692 5.962 -9.387 1.00 0.00 H new ATOM 0 HD21 ASN A 105 103.641 6.628 -12.438 1.00 0.00 H new ATOM 0 HD22 ASN A 105 104.650 7.577 -11.341 1.00 0.00 H new ATOM 1709 N GLU A 106 106.057 4.204 -7.028 1.00 0.00 N ATOM 1710 CA GLU A 106 107.069 3.190 -6.748 1.00 0.00 C ATOM 1711 C GLU A 106 106.481 2.016 -5.970 1.00 0.00 C ATOM 1712 O GLU A 106 106.894 0.870 -6.154 1.00 0.00 O ATOM 1713 CB GLU A 106 108.229 3.805 -5.963 1.00 0.00 C ATOM 1714 CG GLU A 106 108.734 5.114 -6.548 1.00 0.00 C ATOM 1715 CD GLU A 106 109.724 4.905 -7.676 1.00 0.00 C ATOM 1716 OE1 GLU A 106 109.961 3.736 -8.050 1.00 0.00 O ATOM 1717 OE2 GLU A 106 110.264 5.909 -8.188 1.00 0.00 O ATOM 0 H GLU A 106 106.137 5.048 -6.461 1.00 0.00 H new ATOM 0 HA GLU A 106 107.437 2.814 -7.703 1.00 0.00 H new ATOM 0 HB2 GLU A 106 107.911 3.975 -4.935 1.00 0.00 H new ATOM 0 HB3 GLU A 106 109.052 3.091 -5.928 1.00 0.00 H new ATOM 0 HG2 GLU A 106 107.887 5.694 -6.915 1.00 0.00 H new ATOM 0 HG3 GLU A 106 109.205 5.702 -5.760 1.00 0.00 H new ATOM 1724 N ALA A 107 105.514 2.304 -5.105 1.00 0.00 N ATOM 1725 CA ALA A 107 104.872 1.272 -4.306 1.00 0.00 C ATOM 1726 C ALA A 107 104.531 0.064 -5.163 1.00 0.00 C ATOM 1727 O ALA A 107 105.173 -0.983 -5.070 1.00 0.00 O ATOM 1728 CB ALA A 107 103.615 1.821 -3.653 1.00 0.00 C ATOM 0 H ALA A 107 105.159 3.246 -4.941 1.00 0.00 H new ATOM 0 HA ALA A 107 105.567 0.958 -3.528 1.00 0.00 H new ATOM 0 HB1 ALA A 107 103.143 1.039 -3.058 1.00 0.00 H new ATOM 0 HB2 ALA A 107 103.877 2.660 -3.008 1.00 0.00 H new ATOM 0 HB3 ALA A 107 102.922 2.158 -4.424 1.00 0.00 H new ATOM 1734 N ILE A 108 103.510 0.222 -5.995 1.00 0.00 N ATOM 1735 CA ILE A 108 103.063 -0.848 -6.871 1.00 0.00 C ATOM 1736 C ILE A 108 104.226 -1.478 -7.631 1.00 0.00 C ATOM 1737 O ILE A 108 104.198 -2.668 -7.947 1.00 0.00 O ATOM 1738 CB ILE A 108 102.015 -0.348 -7.882 1.00 0.00 C ATOM 1739 CG1 ILE A 108 101.067 0.650 -7.216 1.00 0.00 C ATOM 1740 CG2 ILE A 108 101.239 -1.519 -8.464 1.00 0.00 C ATOM 1741 CD1 ILE A 108 99.810 0.916 -8.015 1.00 0.00 C ATOM 0 H ILE A 108 102.975 1.086 -6.080 1.00 0.00 H new ATOM 0 HA ILE A 108 102.610 -1.603 -6.228 1.00 0.00 H new ATOM 0 HB ILE A 108 102.531 0.160 -8.697 1.00 0.00 H new ATOM 0 HG12 ILE A 108 100.789 0.273 -6.232 1.00 0.00 H new ATOM 0 HG13 ILE A 108 101.594 1.591 -7.060 1.00 0.00 H new ATOM 0 HG21 ILE A 108 100.502 -1.149 -9.177 1.00 0.00 H new ATOM 0 HG22 ILE A 108 101.927 -2.195 -8.971 1.00 0.00 H new ATOM 0 HG23 ILE A 108 100.731 -2.054 -7.661 1.00 0.00 H new ATOM 0 HD11 ILE A 108 99.185 1.633 -7.482 1.00 0.00 H new ATOM 0 HD12 ILE A 108 100.078 1.323 -8.990 1.00 0.00 H new ATOM 0 HD13 ILE A 108 99.260 -0.016 -8.149 1.00 0.00 H new ATOM 1753 N GLU A 109 105.243 -0.677 -7.926 1.00 0.00 N ATOM 1754 CA GLU A 109 106.407 -1.166 -8.655 1.00 0.00 C ATOM 1755 C GLU A 109 107.146 -2.232 -7.852 1.00 0.00 C ATOM 1756 O GLU A 109 107.431 -3.319 -8.356 1.00 0.00 O ATOM 1757 CB GLU A 109 107.355 -0.010 -8.978 1.00 0.00 C ATOM 1758 CG GLU A 109 107.587 0.187 -10.468 1.00 0.00 C ATOM 1759 CD GLU A 109 109.046 0.042 -10.854 1.00 0.00 C ATOM 1760 OE1 GLU A 109 109.915 0.321 -10.003 1.00 0.00 O ATOM 1761 OE2 GLU A 109 109.318 -0.350 -12.008 1.00 0.00 O ATOM 0 H GLU A 109 105.285 0.310 -7.673 1.00 0.00 H new ATOM 0 HA GLU A 109 106.058 -1.614 -9.585 1.00 0.00 H new ATOM 0 HB2 GLU A 109 106.950 0.910 -8.557 1.00 0.00 H new ATOM 0 HB3 GLU A 109 108.313 -0.189 -8.490 1.00 0.00 H new ATOM 0 HG2 GLU A 109 106.994 -0.539 -11.024 1.00 0.00 H new ATOM 0 HG3 GLU A 109 107.234 1.176 -10.759 1.00 0.00 H new ATOM 1768 N LEU A 110 107.450 -1.912 -6.600 1.00 0.00 N ATOM 1769 CA LEU A 110 108.158 -2.837 -5.723 1.00 0.00 C ATOM 1770 C LEU A 110 107.216 -3.900 -5.166 1.00 0.00 C ATOM 1771 O LEU A 110 107.610 -4.715 -4.331 1.00 0.00 O ATOM 1772 CB LEU A 110 108.820 -2.066 -4.580 1.00 0.00 C ATOM 1773 CG LEU A 110 109.891 -1.062 -5.013 1.00 0.00 C ATOM 1774 CD1 LEU A 110 111.037 -1.043 -4.013 1.00 0.00 C ATOM 1775 CD2 LEU A 110 110.403 -1.391 -6.408 1.00 0.00 C ATOM 0 H LEU A 110 107.217 -1.018 -6.169 1.00 0.00 H new ATOM 0 HA LEU A 110 108.926 -3.343 -6.308 1.00 0.00 H new ATOM 0 HB2 LEU A 110 108.047 -1.534 -4.025 1.00 0.00 H new ATOM 0 HB3 LEU A 110 109.271 -2.781 -3.892 1.00 0.00 H new ATOM 0 HG LEU A 110 109.441 -0.070 -5.040 1.00 0.00 H new ATOM 0 HD11 LEU A 110 111.790 -0.324 -4.336 1.00 0.00 H new ATOM 0 HD12 LEU A 110 110.659 -0.756 -3.032 1.00 0.00 H new ATOM 0 HD13 LEU A 110 111.485 -2.035 -3.954 1.00 0.00 H new ATOM 0 HD21 LEU A 110 111.163 -0.666 -6.697 1.00 0.00 H new ATOM 0 HD22 LEU A 110 110.836 -2.391 -6.410 1.00 0.00 H new ATOM 0 HD23 LEU A 110 109.576 -1.352 -7.117 1.00 0.00 H new ATOM 1787 N ALA A 111 105.975 -3.893 -5.640 1.00 0.00 N ATOM 1788 CA ALA A 111 104.985 -4.863 -5.196 1.00 0.00 C ATOM 1789 C ALA A 111 104.565 -5.777 -6.342 1.00 0.00 C ATOM 1790 O ALA A 111 103.728 -6.663 -6.167 1.00 0.00 O ATOM 1791 CB ALA A 111 103.773 -4.151 -4.615 1.00 0.00 C ATOM 0 H ALA A 111 105.632 -3.226 -6.331 1.00 0.00 H new ATOM 0 HA ALA A 111 105.437 -5.480 -4.419 1.00 0.00 H new ATOM 0 HB1 ALA A 111 103.040 -4.888 -4.287 1.00 0.00 H new ATOM 0 HB2 ALA A 111 104.081 -3.543 -3.765 1.00 0.00 H new ATOM 0 HB3 ALA A 111 103.327 -3.511 -5.376 1.00 0.00 H new ATOM 1797 N LYS A 112 105.149 -5.557 -7.518 1.00 0.00 N ATOM 1798 CA LYS A 112 104.830 -6.362 -8.691 1.00 0.00 C ATOM 1799 C LYS A 112 106.012 -7.239 -9.095 1.00 0.00 C ATOM 1800 O LYS A 112 105.968 -7.920 -10.119 1.00 0.00 O ATOM 1801 CB LYS A 112 104.436 -5.457 -9.858 1.00 0.00 C ATOM 1802 CG LYS A 112 102.963 -5.541 -10.222 1.00 0.00 C ATOM 1803 CD LYS A 112 102.516 -4.324 -11.016 1.00 0.00 C ATOM 1804 CE LYS A 112 101.035 -4.389 -11.347 1.00 0.00 C ATOM 1805 NZ LYS A 112 100.797 -4.469 -12.815 1.00 0.00 N ATOM 0 H LYS A 112 105.844 -4.829 -7.682 1.00 0.00 H new ATOM 0 HA LYS A 112 103.992 -7.011 -8.436 1.00 0.00 H new ATOM 0 HB2 LYS A 112 104.681 -4.425 -9.606 1.00 0.00 H new ATOM 0 HB3 LYS A 112 105.033 -5.722 -10.730 1.00 0.00 H new ATOM 0 HG2 LYS A 112 102.782 -6.444 -10.805 1.00 0.00 H new ATOM 0 HG3 LYS A 112 102.367 -5.623 -9.313 1.00 0.00 H new ATOM 0 HD2 LYS A 112 102.723 -3.419 -10.444 1.00 0.00 H new ATOM 0 HD3 LYS A 112 103.093 -4.258 -11.938 1.00 0.00 H new ATOM 0 HE2 LYS A 112 100.592 -5.257 -10.860 1.00 0.00 H new ATOM 0 HE3 LYS A 112 100.534 -3.508 -10.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 99.774 -4.512 -12.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 101.197 -3.628 -13.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 101.253 -5.323 -13.195 1.00 0.00 H new ATOM 1819 N SER A 113 107.068 -7.213 -8.290 1.00 0.00 N ATOM 1820 CA SER A 113 108.261 -8.005 -8.572 1.00 0.00 C ATOM 1821 C SER A 113 109.146 -8.134 -7.338 1.00 0.00 C ATOM 1822 O SER A 113 109.751 -9.180 -7.101 1.00 0.00 O ATOM 1823 CB SER A 113 109.054 -7.369 -9.715 1.00 0.00 C ATOM 1824 OG SER A 113 109.857 -8.330 -10.377 1.00 0.00 O ATOM 0 H SER A 113 107.123 -6.654 -7.439 1.00 0.00 H new ATOM 0 HA SER A 113 107.939 -9.004 -8.864 1.00 0.00 H new ATOM 0 HB2 SER A 113 108.367 -6.912 -10.427 1.00 0.00 H new ATOM 0 HB3 SER A 113 109.685 -6.571 -9.324 1.00 0.00 H new ATOM 0 HG SER A 113 110.352 -7.898 -11.104 1.00 0.00 H new ATOM 1830 N PHE A 114 109.225 -7.062 -6.555 1.00 0.00 N ATOM 1831 CA PHE A 114 110.044 -7.051 -5.349 1.00 0.00 C ATOM 1832 C PHE A 114 109.321 -7.712 -4.178 1.00 0.00 C ATOM 1833 O PHE A 114 109.772 -7.632 -3.036 1.00 0.00 O ATOM 1834 CB PHE A 114 110.424 -5.616 -4.985 1.00 0.00 C ATOM 1835 CG PHE A 114 111.502 -5.046 -5.860 1.00 0.00 C ATOM 1836 CD1 PHE A 114 111.192 -4.501 -7.094 1.00 0.00 C ATOM 1837 CD2 PHE A 114 112.825 -5.055 -5.448 1.00 0.00 C ATOM 1838 CE1 PHE A 114 112.180 -3.974 -7.903 1.00 0.00 C ATOM 1839 CE2 PHE A 114 113.819 -4.530 -6.253 1.00 0.00 C ATOM 1840 CZ PHE A 114 113.495 -3.988 -7.482 1.00 0.00 C ATOM 0 H PHE A 114 108.730 -6.188 -6.735 1.00 0.00 H new ATOM 0 HA PHE A 114 110.948 -7.624 -5.554 1.00 0.00 H new ATOM 0 HB2 PHE A 114 109.538 -4.985 -5.054 1.00 0.00 H new ATOM 0 HB3 PHE A 114 110.756 -5.588 -3.947 1.00 0.00 H new ATOM 0 HD1 PHE A 114 110.165 -4.488 -7.428 1.00 0.00 H new ATOM 0 HD2 PHE A 114 113.083 -5.477 -4.488 1.00 0.00 H new ATOM 0 HE1 PHE A 114 111.924 -3.552 -8.863 1.00 0.00 H new ATOM 0 HE2 PHE A 114 114.847 -4.544 -5.922 1.00 0.00 H new ATOM 0 HZ PHE A 114 114.269 -3.576 -8.112 1.00 0.00 H new ATOM 1850 N GLY A 115 108.199 -8.362 -4.467 1.00 0.00 N ATOM 1851 CA GLY A 115 107.438 -9.025 -3.424 1.00 0.00 C ATOM 1852 C GLY A 115 106.385 -9.963 -3.981 1.00 0.00 C ATOM 1853 O GLY A 115 106.703 -11.062 -4.437 1.00 0.00 O ATOM 0 H GLY A 115 107.803 -8.442 -5.404 1.00 0.00 H new ATOM 0 HA2 GLY A 115 108.118 -9.587 -2.784 1.00 0.00 H new ATOM 0 HA3 GLY A 115 106.956 -8.275 -2.797 1.00 0.00 H new ATOM 1857 N ALA A 116 105.129 -9.531 -3.943 1.00 0.00 N ATOM 1858 CA ALA A 116 104.026 -10.341 -4.447 1.00 0.00 C ATOM 1859 C ALA A 116 103.159 -9.543 -5.416 1.00 0.00 C ATOM 1860 O ALA A 116 102.688 -8.454 -5.090 1.00 0.00 O ATOM 1861 CB ALA A 116 103.186 -10.864 -3.292 1.00 0.00 C ATOM 0 H ALA A 116 104.849 -8.624 -3.568 1.00 0.00 H new ATOM 0 HA ALA A 116 104.446 -11.188 -4.989 1.00 0.00 H new ATOM 0 HB1 ALA A 116 102.366 -11.467 -3.682 1.00 0.00 H new ATOM 0 HB2 ALA A 116 103.807 -11.476 -2.638 1.00 0.00 H new ATOM 0 HB3 ALA A 116 102.782 -10.024 -2.727 1.00 0.00 H new ATOM 1867 N GLU A 117 102.950 -10.094 -6.607 1.00 0.00 N ATOM 1868 CA GLU A 117 102.139 -9.434 -7.623 1.00 0.00 C ATOM 1869 C GLU A 117 100.670 -9.403 -7.212 1.00 0.00 C ATOM 1870 O GLU A 117 99.946 -8.461 -7.532 1.00 0.00 O ATOM 1871 CB GLU A 117 102.289 -10.145 -8.969 1.00 0.00 C ATOM 1872 CG GLU A 117 101.942 -9.271 -10.161 1.00 0.00 C ATOM 1873 CD GLU A 117 101.120 -10.003 -11.204 1.00 0.00 C ATOM 1874 OE1 GLU A 117 100.451 -10.994 -10.842 1.00 0.00 O ATOM 1875 OE2 GLU A 117 101.146 -9.586 -12.381 1.00 0.00 O ATOM 0 H GLU A 117 103.331 -10.996 -6.892 1.00 0.00 H new ATOM 0 HA GLU A 117 102.492 -8.407 -7.722 1.00 0.00 H new ATOM 0 HB2 GLU A 117 103.316 -10.495 -9.073 1.00 0.00 H new ATOM 0 HB3 GLU A 117 101.649 -11.027 -8.978 1.00 0.00 H new ATOM 0 HG2 GLU A 117 101.389 -8.397 -9.817 1.00 0.00 H new ATOM 0 HG3 GLU A 117 102.862 -8.907 -10.619 1.00 0.00 H new ATOM 1882 N ASP A 118 100.239 -10.439 -6.501 1.00 0.00 N ATOM 1883 CA ASP A 118 98.856 -10.530 -6.046 1.00 0.00 C ATOM 1884 C ASP A 118 98.318 -9.154 -5.663 1.00 0.00 C ATOM 1885 O ASP A 118 97.643 -8.499 -6.456 1.00 0.00 O ATOM 1886 CB ASP A 118 98.753 -11.481 -4.853 1.00 0.00 C ATOM 1887 CG ASP A 118 97.903 -12.700 -5.157 1.00 0.00 C ATOM 1888 OD1 ASP A 118 96.875 -12.550 -5.851 1.00 0.00 O ATOM 1889 OD2 ASP A 118 98.265 -13.805 -4.701 1.00 0.00 O ATOM 0 H ASP A 118 100.826 -11.227 -6.227 1.00 0.00 H new ATOM 0 HA ASP A 118 98.254 -10.920 -6.866 1.00 0.00 H new ATOM 0 HB2 ASP A 118 99.753 -11.802 -4.561 1.00 0.00 H new ATOM 0 HB3 ASP A 118 98.328 -10.948 -4.003 1.00 0.00 H new ATOM 1894 N SER A 119 98.626 -8.723 -4.445 1.00 0.00 N ATOM 1895 CA SER A 119 98.175 -7.424 -3.959 1.00 0.00 C ATOM 1896 C SER A 119 99.197 -6.339 -4.282 1.00 0.00 C ATOM 1897 O SER A 119 99.921 -5.873 -3.402 1.00 0.00 O ATOM 1898 CB SER A 119 97.930 -7.478 -2.449 1.00 0.00 C ATOM 1899 OG SER A 119 97.026 -8.515 -2.115 1.00 0.00 O ATOM 0 H SER A 119 99.185 -9.253 -3.777 1.00 0.00 H new ATOM 0 HA SER A 119 97.240 -7.179 -4.463 1.00 0.00 H new ATOM 0 HB2 SER A 119 98.875 -7.635 -1.930 1.00 0.00 H new ATOM 0 HB3 SER A 119 97.533 -6.522 -2.108 1.00 0.00 H new ATOM 0 HG SER A 119 96.888 -8.529 -1.145 1.00 0.00 H new ATOM 1905 N HIS A 120 99.253 -5.946 -5.549 1.00 0.00 N ATOM 1906 CA HIS A 120 100.189 -4.918 -5.990 1.00 0.00 C ATOM 1907 C HIS A 120 99.584 -3.526 -5.836 1.00 0.00 C ATOM 1908 O HIS A 120 100.207 -2.629 -5.271 1.00 0.00 O ATOM 1909 CB HIS A 120 100.588 -5.154 -7.447 1.00 0.00 C ATOM 1910 CG HIS A 120 99.425 -5.185 -8.389 1.00 0.00 C ATOM 1911 ND1 HIS A 120 98.829 -6.356 -8.812 1.00 0.00 N ATOM 1912 CD2 HIS A 120 98.744 -4.182 -8.991 1.00 0.00 C ATOM 1913 CE1 HIS A 120 97.834 -6.070 -9.632 1.00 0.00 C ATOM 1914 NE2 HIS A 120 97.761 -4.757 -9.757 1.00 0.00 N ATOM 0 H HIS A 120 98.661 -6.323 -6.289 1.00 0.00 H new ATOM 0 HA HIS A 120 101.078 -4.979 -5.362 1.00 0.00 H new ATOM 0 HB2 HIS A 120 101.276 -4.368 -7.758 1.00 0.00 H new ATOM 0 HB3 HIS A 120 101.128 -6.098 -7.519 1.00 0.00 H new ATOM 0 HD1 HIS A 120 99.113 -7.296 -8.535 1.00 0.00 H new ATOM 0 HD2 HIS A 120 98.938 -3.125 -8.888 1.00 0.00 H new ATOM 0 HE1 HIS A 120 97.190 -6.788 -10.118 1.00 0.00 H new ATOM 1923 N LYS A 121 98.370 -3.352 -6.344 1.00 0.00 N ATOM 1924 CA LYS A 121 97.686 -2.066 -6.263 1.00 0.00 C ATOM 1925 C LYS A 121 97.493 -1.639 -4.810 1.00 0.00 C ATOM 1926 O LYS A 121 97.615 -0.460 -4.478 1.00 0.00 O ATOM 1927 CB LYS A 121 96.332 -2.139 -6.969 1.00 0.00 C ATOM 1928 CG LYS A 121 95.308 -2.990 -6.235 1.00 0.00 C ATOM 1929 CD LYS A 121 94.368 -3.690 -7.203 1.00 0.00 C ATOM 1930 CE LYS A 121 92.950 -3.749 -6.658 1.00 0.00 C ATOM 1931 NZ LYS A 121 92.040 -4.510 -7.558 1.00 0.00 N ATOM 0 H LYS A 121 97.839 -4.084 -6.816 1.00 0.00 H new ATOM 0 HA LYS A 121 98.308 -1.322 -6.761 1.00 0.00 H new ATOM 0 HB2 LYS A 121 95.937 -1.130 -7.085 1.00 0.00 H new ATOM 0 HB3 LYS A 121 96.476 -2.542 -7.971 1.00 0.00 H new ATOM 0 HG2 LYS A 121 95.821 -3.732 -5.624 1.00 0.00 H new ATOM 0 HG3 LYS A 121 94.731 -2.362 -5.556 1.00 0.00 H new ATOM 0 HD2 LYS A 121 94.370 -3.165 -8.158 1.00 0.00 H new ATOM 0 HD3 LYS A 121 94.728 -4.701 -7.394 1.00 0.00 H new ATOM 0 HE2 LYS A 121 92.959 -4.215 -5.673 1.00 0.00 H new ATOM 0 HE3 LYS A 121 92.569 -2.736 -6.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 91.083 -4.527 -7.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 92.011 -4.051 -8.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 92.389 -5.484 -7.662 1.00 0.00 H new ATOM 1945 N PHE A 122 97.190 -2.605 -3.949 1.00 0.00 N ATOM 1946 CA PHE A 122 96.976 -2.327 -2.534 1.00 0.00 C ATOM 1947 C PHE A 122 98.214 -1.693 -1.909 1.00 0.00 C ATOM 1948 O PHE A 122 98.109 -0.856 -1.013 1.00 0.00 O ATOM 1949 CB PHE A 122 96.618 -3.614 -1.787 1.00 0.00 C ATOM 1950 CG PHE A 122 96.741 -3.495 -0.294 1.00 0.00 C ATOM 1951 CD1 PHE A 122 97.987 -3.417 0.307 1.00 0.00 C ATOM 1952 CD2 PHE A 122 95.611 -3.463 0.507 1.00 0.00 C ATOM 1953 CE1 PHE A 122 98.104 -3.308 1.679 1.00 0.00 C ATOM 1954 CE2 PHE A 122 95.722 -3.354 1.879 1.00 0.00 C ATOM 1955 CZ PHE A 122 96.970 -3.276 2.467 1.00 0.00 C ATOM 0 H PHE A 122 97.087 -3.587 -4.206 1.00 0.00 H new ATOM 0 HA PHE A 122 96.148 -1.623 -2.451 1.00 0.00 H new ATOM 0 HB2 PHE A 122 95.596 -3.898 -2.038 1.00 0.00 H new ATOM 0 HB3 PHE A 122 97.267 -4.418 -2.134 1.00 0.00 H new ATOM 0 HD1 PHE A 122 98.877 -3.442 -0.304 1.00 0.00 H new ATOM 0 HD2 PHE A 122 94.633 -3.524 0.053 1.00 0.00 H new ATOM 0 HE1 PHE A 122 99.081 -3.248 2.135 1.00 0.00 H new ATOM 0 HE2 PHE A 122 94.833 -3.330 2.492 1.00 0.00 H new ATOM 0 HZ PHE A 122 97.059 -3.190 3.540 1.00 0.00 H new ATOM 1965 N VAL A 123 99.386 -2.092 -2.391 1.00 0.00 N ATOM 1966 CA VAL A 123 100.641 -1.558 -1.880 1.00 0.00 C ATOM 1967 C VAL A 123 100.701 -0.045 -2.050 1.00 0.00 C ATOM 1968 O VAL A 123 101.179 0.672 -1.173 1.00 0.00 O ATOM 1969 CB VAL A 123 101.856 -2.190 -2.582 1.00 0.00 C ATOM 1970 CG1 VAL A 123 101.578 -3.643 -2.934 1.00 0.00 C ATOM 1971 CG2 VAL A 123 102.239 -1.394 -3.820 1.00 0.00 C ATOM 0 H VAL A 123 99.492 -2.783 -3.134 1.00 0.00 H new ATOM 0 HA VAL A 123 100.679 -1.807 -0.819 1.00 0.00 H new ATOM 0 HB VAL A 123 102.699 -2.165 -1.892 1.00 0.00 H new ATOM 0 HG11 VAL A 123 102.450 -4.071 -3.429 1.00 0.00 H new ATOM 0 HG12 VAL A 123 101.367 -4.204 -2.024 1.00 0.00 H new ATOM 0 HG13 VAL A 123 100.718 -3.698 -3.602 1.00 0.00 H new ATOM 0 HG21 VAL A 123 103.100 -1.859 -4.300 1.00 0.00 H new ATOM 0 HG22 VAL A 123 101.400 -1.378 -4.516 1.00 0.00 H new ATOM 0 HG23 VAL A 123 102.491 -0.373 -3.533 1.00 0.00 H new ATOM 1981 N ASN A 124 100.217 0.434 -3.188 1.00 0.00 N ATOM 1982 CA ASN A 124 100.219 1.863 -3.477 1.00 0.00 C ATOM 1983 C ASN A 124 99.483 2.642 -2.393 1.00 0.00 C ATOM 1984 O ASN A 124 99.910 3.728 -1.996 1.00 0.00 O ATOM 1985 CB ASN A 124 99.574 2.130 -4.838 1.00 0.00 C ATOM 1986 CG ASN A 124 98.365 3.038 -4.739 1.00 0.00 C ATOM 1987 OD1 ASN A 124 97.387 2.718 -4.062 1.00 0.00 O ATOM 1988 ND2 ASN A 124 98.424 4.181 -5.413 1.00 0.00 N ATOM 0 H ASN A 124 99.818 -0.145 -3.927 1.00 0.00 H new ATOM 0 HA ASN A 124 101.255 2.200 -3.499 1.00 0.00 H new ATOM 0 HB2 ASN A 124 100.310 2.582 -5.503 1.00 0.00 H new ATOM 0 HB3 ASN A 124 99.277 1.183 -5.288 1.00 0.00 H new ATOM 0 HD21 ASN A 124 97.640 4.833 -5.382 1.00 0.00 H new ATOM 0 HD22 ASN A 124 99.254 4.407 -5.962 1.00 0.00 H new ATOM 1995 N GLY A 125 98.381 2.079 -1.909 1.00 0.00 N ATOM 1996 CA GLY A 125 97.610 2.745 -0.879 1.00 0.00 C ATOM 1997 C GLY A 125 98.417 2.978 0.380 1.00 0.00 C ATOM 1998 O GLY A 125 98.258 4.001 1.045 1.00 0.00 O ATOM 0 H GLY A 125 98.010 1.178 -2.211 1.00 0.00 H new ATOM 0 HA2 GLY A 125 97.249 3.701 -1.259 1.00 0.00 H new ATOM 0 HA3 GLY A 125 96.732 2.145 -0.640 1.00 0.00 H new ATOM 2002 N VAL A 126 99.300 2.040 0.699 1.00 0.00 N ATOM 2003 CA VAL A 126 100.143 2.174 1.879 1.00 0.00 C ATOM 2004 C VAL A 126 100.976 3.440 1.787 1.00 0.00 C ATOM 2005 O VAL A 126 101.133 4.165 2.768 1.00 0.00 O ATOM 2006 CB VAL A 126 101.093 0.973 2.055 1.00 0.00 C ATOM 2007 CG1 VAL A 126 100.481 -0.297 1.481 1.00 0.00 C ATOM 2008 CG2 VAL A 126 102.445 1.268 1.415 1.00 0.00 C ATOM 0 H VAL A 126 99.450 1.186 0.162 1.00 0.00 H new ATOM 0 HA VAL A 126 99.476 2.216 2.740 1.00 0.00 H new ATOM 0 HB VAL A 126 101.247 0.811 3.122 1.00 0.00 H new ATOM 0 HG11 VAL A 126 101.172 -1.128 1.619 1.00 0.00 H new ATOM 0 HG12 VAL A 126 99.545 -0.514 1.995 1.00 0.00 H new ATOM 0 HG13 VAL A 126 100.287 -0.159 0.417 1.00 0.00 H new ATOM 0 HG21 VAL A 126 103.105 0.411 1.547 1.00 0.00 H new ATOM 0 HG22 VAL A 126 102.309 1.461 0.351 1.00 0.00 H new ATOM 0 HG23 VAL A 126 102.888 2.144 1.889 1.00 0.00 H new ATOM 2018 N LEU A 127 101.499 3.707 0.595 1.00 0.00 N ATOM 2019 CA LEU A 127 102.309 4.892 0.373 1.00 0.00 C ATOM 2020 C LEU A 127 101.453 6.147 0.454 1.00 0.00 C ATOM 2021 O LEU A 127 101.928 7.209 0.853 1.00 0.00 O ATOM 2022 CB LEU A 127 103.030 4.815 -0.972 1.00 0.00 C ATOM 2023 CG LEU A 127 104.556 4.784 -0.874 1.00 0.00 C ATOM 2024 CD1 LEU A 127 105.186 4.956 -2.243 1.00 0.00 C ATOM 2025 CD2 LEU A 127 105.048 5.866 0.077 1.00 0.00 C ATOM 0 H LEU A 127 101.375 3.118 -0.229 1.00 0.00 H new ATOM 0 HA LEU A 127 103.064 4.940 1.158 1.00 0.00 H new ATOM 0 HB2 LEU A 127 102.694 3.922 -1.499 1.00 0.00 H new ATOM 0 HB3 LEU A 127 102.735 5.672 -1.577 1.00 0.00 H new ATOM 0 HG LEU A 127 104.854 3.812 -0.481 1.00 0.00 H new ATOM 0 HD11 LEU A 127 106.272 4.931 -2.150 1.00 0.00 H new ATOM 0 HD12 LEU A 127 104.859 4.148 -2.898 1.00 0.00 H new ATOM 0 HD13 LEU A 127 104.880 5.913 -2.667 1.00 0.00 H new ATOM 0 HD21 LEU A 127 106.136 5.831 0.136 1.00 0.00 H new ATOM 0 HD22 LEU A 127 104.736 6.843 -0.291 1.00 0.00 H new ATOM 0 HD23 LEU A 127 104.625 5.699 1.068 1.00 0.00 H new ATOM 2037 N ASP A 128 100.183 6.016 0.084 1.00 0.00 N ATOM 2038 CA ASP A 128 99.266 7.145 0.132 1.00 0.00 C ATOM 2039 C ASP A 128 99.148 7.644 1.565 1.00 0.00 C ATOM 2040 O ASP A 128 99.201 8.844 1.823 1.00 0.00 O ATOM 2041 CB ASP A 128 97.890 6.742 -0.402 1.00 0.00 C ATOM 2042 CG ASP A 128 97.722 7.073 -1.872 1.00 0.00 C ATOM 2043 OD1 ASP A 128 98.477 7.931 -2.378 1.00 0.00 O ATOM 2044 OD2 ASP A 128 96.837 6.474 -2.518 1.00 0.00 O ATOM 0 H ASP A 128 99.769 5.145 -0.250 1.00 0.00 H new ATOM 0 HA ASP A 128 99.656 7.945 -0.497 1.00 0.00 H new ATOM 0 HB2 ASP A 128 97.745 5.672 -0.254 1.00 0.00 H new ATOM 0 HB3 ASP A 128 97.117 7.251 0.173 1.00 0.00 H new ATOM 2049 N LYS A 129 99.004 6.712 2.496 1.00 0.00 N ATOM 2050 CA LYS A 129 98.906 7.055 3.907 1.00 0.00 C ATOM 2051 C LYS A 129 100.289 7.361 4.481 1.00 0.00 C ATOM 2052 O LYS A 129 100.459 8.302 5.254 1.00 0.00 O ATOM 2053 CB LYS A 129 98.254 5.914 4.690 1.00 0.00 C ATOM 2054 CG LYS A 129 97.091 5.262 3.961 1.00 0.00 C ATOM 2055 CD LYS A 129 96.033 6.284 3.574 1.00 0.00 C ATOM 2056 CE LYS A 129 94.853 5.628 2.877 1.00 0.00 C ATOM 2057 NZ LYS A 129 94.607 6.213 1.530 1.00 0.00 N ATOM 0 H LYS A 129 98.952 5.712 2.300 1.00 0.00 H new ATOM 0 HA LYS A 129 98.284 7.945 4.000 1.00 0.00 H new ATOM 0 HB2 LYS A 129 99.007 5.156 4.906 1.00 0.00 H new ATOM 0 HB3 LYS A 129 97.903 6.297 5.648 1.00 0.00 H new ATOM 0 HG2 LYS A 129 97.457 4.759 3.066 1.00 0.00 H new ATOM 0 HG3 LYS A 129 96.645 4.497 4.596 1.00 0.00 H new ATOM 0 HD2 LYS A 129 95.686 6.805 4.466 1.00 0.00 H new ATOM 0 HD3 LYS A 129 96.473 7.034 2.917 1.00 0.00 H new ATOM 0 HE2 LYS A 129 95.038 4.558 2.780 1.00 0.00 H new ATOM 0 HE3 LYS A 129 93.960 5.742 3.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 93.794 5.738 1.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 94.405 7.229 1.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 95.450 6.081 0.935 1.00 0.00 H new ATOM 2071 N ALA A 130 101.269 6.539 4.105 1.00 0.00 N ATOM 2072 CA ALA A 130 102.643 6.691 4.585 1.00 0.00 C ATOM 2073 C ALA A 130 103.383 7.884 3.966 1.00 0.00 C ATOM 2074 O ALA A 130 104.299 8.430 4.580 1.00 0.00 O ATOM 2075 CB ALA A 130 103.423 5.413 4.321 1.00 0.00 C ATOM 0 H ALA A 130 101.135 5.756 3.465 1.00 0.00 H new ATOM 0 HA ALA A 130 102.576 6.888 5.655 1.00 0.00 H new ATOM 0 HB1 ALA A 130 104.446 5.530 4.680 1.00 0.00 H new ATOM 0 HB2 ALA A 130 102.948 4.582 4.843 1.00 0.00 H new ATOM 0 HB3 ALA A 130 103.435 5.209 3.250 1.00 0.00 H new ATOM 2081 N ALA A 131 103.020 8.264 2.745 1.00 0.00 N ATOM 2082 CA ALA A 131 103.702 9.364 2.056 1.00 0.00 C ATOM 2083 C ALA A 131 103.505 10.706 2.759 1.00 0.00 C ATOM 2084 O ALA A 131 104.454 11.470 2.937 1.00 0.00 O ATOM 2085 CB ALA A 131 103.241 9.451 0.605 1.00 0.00 C ATOM 0 H ALA A 131 102.264 7.833 2.212 1.00 0.00 H new ATOM 0 HA ALA A 131 104.769 9.143 2.082 1.00 0.00 H new ATOM 0 HB1 ALA A 131 103.757 10.273 0.108 1.00 0.00 H new ATOM 0 HB2 ALA A 131 103.470 8.516 0.094 1.00 0.00 H new ATOM 0 HB3 ALA A 131 102.166 9.627 0.575 1.00 0.00 H new ATOM 2091 N PRO A 132 102.268 11.011 3.151 1.00 0.00 N ATOM 2092 CA PRO A 132 101.927 12.263 3.821 1.00 0.00 C ATOM 2093 C PRO A 132 102.206 12.228 5.320 1.00 0.00 C ATOM 2094 O PRO A 132 101.350 12.586 6.130 1.00 0.00 O ATOM 2095 CB PRO A 132 100.432 12.385 3.551 1.00 0.00 C ATOM 2096 CG PRO A 132 99.949 10.974 3.478 1.00 0.00 C ATOM 2097 CD PRO A 132 101.097 10.151 2.956 1.00 0.00 C ATOM 0 HA PRO A 132 102.519 13.103 3.457 1.00 0.00 H new ATOM 0 HB2 PRO A 132 99.929 12.936 4.345 1.00 0.00 H new ATOM 0 HB3 PRO A 132 100.239 12.919 2.621 1.00 0.00 H new ATOM 0 HG2 PRO A 132 99.635 10.621 4.460 1.00 0.00 H new ATOM 0 HG3 PRO A 132 99.084 10.894 2.819 1.00 0.00 H new ATOM 0 HD2 PRO A 132 101.196 9.213 3.502 1.00 0.00 H new ATOM 0 HD3 PRO A 132 100.960 9.896 1.905 1.00 0.00 H new ATOM 2105 N VAL A 133 103.411 11.804 5.681 1.00 0.00 N ATOM 2106 CA VAL A 133 103.812 11.732 7.080 1.00 0.00 C ATOM 2107 C VAL A 133 105.269 12.156 7.240 1.00 0.00 C ATOM 2108 O VAL A 133 105.574 13.092 7.979 1.00 0.00 O ATOM 2109 CB VAL A 133 103.619 10.316 7.652 1.00 0.00 C ATOM 2110 CG1 VAL A 133 104.564 10.076 8.820 1.00 0.00 C ATOM 2111 CG2 VAL A 133 102.174 10.107 8.076 1.00 0.00 C ATOM 0 H VAL A 133 104.129 11.504 5.022 1.00 0.00 H new ATOM 0 HA VAL A 133 103.172 12.416 7.638 1.00 0.00 H new ATOM 0 HB VAL A 133 103.855 9.593 6.871 1.00 0.00 H new ATOM 0 HG11 VAL A 133 104.412 9.070 9.210 1.00 0.00 H new ATOM 0 HG12 VAL A 133 105.595 10.182 8.482 1.00 0.00 H new ATOM 0 HG13 VAL A 133 104.363 10.804 9.606 1.00 0.00 H new ATOM 0 HG21 VAL A 133 102.055 9.101 8.478 1.00 0.00 H new ATOM 0 HG22 VAL A 133 101.910 10.837 8.841 1.00 0.00 H new ATOM 0 HG23 VAL A 133 101.520 10.233 7.213 1.00 0.00 H new ATOM 2121 N ILE A 134 106.165 11.473 6.530 1.00 0.00 N ATOM 2122 CA ILE A 134 107.581 11.794 6.580 1.00 0.00 C ATOM 2123 C ILE A 134 107.814 13.218 6.089 1.00 0.00 C ATOM 2124 O ILE A 134 108.822 13.845 6.416 1.00 0.00 O ATOM 2125 CB ILE A 134 108.393 10.822 5.705 1.00 0.00 C ATOM 2126 CG1 ILE A 134 109.490 10.150 6.526 1.00 0.00 C ATOM 2127 CG2 ILE A 134 108.995 11.559 4.520 1.00 0.00 C ATOM 2128 CD1 ILE A 134 109.285 8.666 6.727 1.00 0.00 C ATOM 0 H ILE A 134 105.931 10.694 5.914 1.00 0.00 H new ATOM 0 HA ILE A 134 107.910 11.702 7.615 1.00 0.00 H new ATOM 0 HB ILE A 134 107.721 10.049 5.331 1.00 0.00 H new ATOM 0 HG12 ILE A 134 110.449 10.311 6.033 1.00 0.00 H new ATOM 0 HG13 ILE A 134 109.548 10.634 7.501 1.00 0.00 H new ATOM 0 HG21 ILE A 134 109.567 10.860 3.909 1.00 0.00 H new ATOM 0 HG22 ILE A 134 108.197 11.997 3.920 1.00 0.00 H new ATOM 0 HG23 ILE A 134 109.654 12.350 4.880 1.00 0.00 H new ATOM 0 HD11 ILE A 134 110.106 8.262 7.320 1.00 0.00 H new ATOM 0 HD12 ILE A 134 108.343 8.496 7.249 1.00 0.00 H new ATOM 0 HD13 ILE A 134 109.258 8.168 5.758 1.00 0.00 H new ATOM 2140 N ARG A 135 106.868 13.719 5.301 1.00 0.00 N ATOM 2141 CA ARG A 135 106.946 15.063 4.756 1.00 0.00 C ATOM 2142 C ARG A 135 106.229 16.057 5.664 1.00 0.00 C ATOM 2143 O ARG A 135 105.573 15.670 6.632 1.00 0.00 O ATOM 2144 CB ARG A 135 106.327 15.093 3.356 1.00 0.00 C ATOM 2145 CG ARG A 135 107.343 15.272 2.240 1.00 0.00 C ATOM 2146 CD ARG A 135 106.666 15.597 0.919 1.00 0.00 C ATOM 2147 NE ARG A 135 107.435 16.556 0.131 1.00 0.00 N ATOM 2148 CZ ARG A 135 106.910 17.307 -0.831 1.00 0.00 C ATOM 2149 NH1 ARG A 135 105.619 17.210 -1.120 1.00 0.00 N ATOM 2150 NH2 ARG A 135 107.673 18.157 -1.504 1.00 0.00 N ATOM 0 H ARG A 135 106.031 13.205 5.025 1.00 0.00 H new ATOM 0 HA ARG A 135 107.996 15.350 4.693 1.00 0.00 H new ATOM 0 HB2 ARG A 135 105.780 14.165 3.191 1.00 0.00 H new ATOM 0 HB3 ARG A 135 105.601 15.904 3.307 1.00 0.00 H new ATOM 0 HG2 ARG A 135 108.036 16.072 2.502 1.00 0.00 H new ATOM 0 HG3 ARG A 135 107.933 14.362 2.134 1.00 0.00 H new ATOM 0 HD2 ARG A 135 106.533 14.680 0.345 1.00 0.00 H new ATOM 0 HD3 ARG A 135 105.672 16.000 1.111 1.00 0.00 H new ATOM 0 HE ARG A 135 108.430 16.655 0.330 1.00 0.00 H new ATOM 0 HH11 ARG A 135 105.028 16.558 -0.603 1.00 0.00 H new ATOM 0 HH12 ARG A 135 105.217 17.787 -1.859 1.00 0.00 H new ATOM 0 HH21 ARG A 135 108.666 18.236 -1.284 1.00 0.00 H new ATOM 0 HH22 ARG A 135 107.267 18.732 -2.242 1.00 0.00 H new ATOM 2164 N PRO A 136 106.343 17.355 5.356 1.00 0.00 N ATOM 2165 CA PRO A 136 105.704 18.418 6.139 1.00 0.00 C ATOM 2166 C PRO A 136 104.182 18.356 6.069 1.00 0.00 C ATOM 2167 O PRO A 136 103.489 19.010 6.849 1.00 0.00 O ATOM 2168 CB PRO A 136 106.217 19.704 5.483 1.00 0.00 C ATOM 2169 CG PRO A 136 106.608 19.299 4.104 1.00 0.00 C ATOM 2170 CD PRO A 136 107.104 17.886 4.217 1.00 0.00 C ATOM 0 HA PRO A 136 105.944 18.340 7.200 1.00 0.00 H new ATOM 0 HB2 PRO A 136 105.445 20.474 5.465 1.00 0.00 H new ATOM 0 HB3 PRO A 136 107.065 20.116 6.030 1.00 0.00 H new ATOM 0 HG2 PRO A 136 105.760 19.362 3.423 1.00 0.00 H new ATOM 0 HG3 PRO A 136 107.384 19.955 3.709 1.00 0.00 H new ATOM 0 HD2 PRO A 136 106.914 17.318 3.306 1.00 0.00 H new ATOM 0 HD3 PRO A 136 108.178 17.849 4.398 1.00 0.00 H new ATOM 2178 N ASN A 137 103.665 17.569 5.130 1.00 0.00 N ATOM 2179 CA ASN A 137 102.223 17.427 4.963 1.00 0.00 C ATOM 2180 C ASN A 137 101.896 16.370 3.912 1.00 0.00 C ATOM 2181 O ASN A 137 102.756 15.578 3.526 1.00 0.00 O ATOM 2182 CB ASN A 137 101.599 18.767 4.564 1.00 0.00 C ATOM 2183 CG ASN A 137 102.643 19.814 4.229 1.00 0.00 C ATOM 2184 OD1 ASN A 137 103.302 19.741 3.192 1.00 0.00 O ATOM 2185 ND2 ASN A 137 102.797 20.798 5.108 1.00 0.00 N ATOM 0 H ASN A 137 104.222 17.021 4.475 1.00 0.00 H new ATOM 0 HA ASN A 137 101.804 17.107 5.917 1.00 0.00 H new ATOM 0 HB2 ASN A 137 100.947 18.619 3.703 1.00 0.00 H new ATOM 0 HB3 ASN A 137 100.973 19.130 5.379 1.00 0.00 H new ATOM 0 HD21 ASN A 137 103.483 21.533 4.936 1.00 0.00 H new ATOM 0 HD22 ASN A 137 102.229 20.819 5.955 1.00 0.00 H new ATOM 2192 N LYS A 138 100.649 16.364 3.454 1.00 0.00 N ATOM 2193 CA LYS A 138 100.207 15.404 2.450 1.00 0.00 C ATOM 2194 C LYS A 138 100.050 16.072 1.087 1.00 0.00 C ATOM 2195 O LYS A 138 99.198 15.684 0.288 1.00 0.00 O ATOM 2196 CB LYS A 138 98.882 14.767 2.871 1.00 0.00 C ATOM 2197 CG LYS A 138 97.687 15.695 2.726 1.00 0.00 C ATOM 2198 CD LYS A 138 96.659 15.456 3.821 1.00 0.00 C ATOM 2199 CE LYS A 138 95.900 14.159 3.598 1.00 0.00 C ATOM 2200 NZ LYS A 138 95.624 13.449 4.878 1.00 0.00 N ATOM 0 H LYS A 138 99.926 17.014 3.763 1.00 0.00 H new ATOM 0 HA LYS A 138 100.968 14.628 2.369 1.00 0.00 H new ATOM 0 HB2 LYS A 138 98.712 13.873 2.271 1.00 0.00 H new ATOM 0 HB3 LYS A 138 98.957 14.445 3.910 1.00 0.00 H new ATOM 0 HG2 LYS A 138 98.023 16.731 2.761 1.00 0.00 H new ATOM 0 HG3 LYS A 138 97.224 15.543 1.751 1.00 0.00 H new ATOM 0 HD2 LYS A 138 97.158 15.425 4.790 1.00 0.00 H new ATOM 0 HD3 LYS A 138 95.957 16.289 3.851 1.00 0.00 H new ATOM 0 HE2 LYS A 138 94.959 14.372 3.091 1.00 0.00 H new ATOM 0 HE3 LYS A 138 96.477 13.509 2.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 95.105 12.569 4.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 96.523 13.223 5.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 95.052 14.058 5.497 1.00 0.00 H new ATOM 2214 N LYS A 139 100.878 17.079 0.827 1.00 0.00 N ATOM 2215 CA LYS A 139 100.830 17.800 -0.440 1.00 0.00 C ATOM 2216 C LYS A 139 100.606 16.842 -1.603 1.00 0.00 C ATOM 2217 O LYS A 139 101.358 15.850 -1.706 1.00 0.00 O ATOM 2218 CB LYS A 139 102.126 18.585 -0.652 1.00 0.00 C ATOM 2219 CG LYS A 139 101.988 19.726 -1.647 1.00 0.00 C ATOM 2220 CD LYS A 139 102.949 20.861 -1.331 1.00 0.00 C ATOM 2221 CE LYS A 139 102.492 21.656 -0.119 1.00 0.00 C ATOM 2222 NZ LYS A 139 101.920 22.976 -0.504 1.00 0.00 N ATOM 2223 OXT LYS A 139 99.680 17.089 -2.403 1.00 0.00 O ATOM 0 H LYS A 139 101.590 17.414 1.476 1.00 0.00 H new ATOM 0 HA LYS A 139 99.993 18.497 -0.402 1.00 0.00 H new ATOM 0 HB2 LYS A 139 102.459 18.986 0.305 1.00 0.00 H new ATOM 0 HB3 LYS A 139 102.902 17.903 -0.999 1.00 0.00 H new ATOM 0 HG2 LYS A 139 102.179 19.356 -2.655 1.00 0.00 H new ATOM 0 HG3 LYS A 139 100.964 20.100 -1.633 1.00 0.00 H new ATOM 0 HD2 LYS A 139 103.944 20.456 -1.148 1.00 0.00 H new ATOM 0 HD3 LYS A 139 103.028 21.523 -2.193 1.00 0.00 H new ATOM 0 HE2 LYS A 139 101.745 21.083 0.430 1.00 0.00 H new ATOM 0 HE3 LYS A 139 103.336 21.808 0.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 101.620 23.487 0.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 102.640 23.533 -1.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 101.099 22.831 -1.126 1.00 0.00 H new TER 2237 LYS A 139