USER MOD reduce.3.24.130724 H: found=0, std=0, add=1130, rem=0, adj=22 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 58 ASN : amide:sc= -6.43! C(o=-6.4!,f=-11!) USER MOD Set 1.2: A 90 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 66 MET CE :methyl -161:sc= -4.39! (180deg=-1.38) USER MOD Set 2.2: A 69 TYR OH : rot 150:sc= -5.09! USER MOD Set 3.1: A 23 SER OG : rot 180:sc= -2.18! USER MOD Set 3.2: A 25 ASN : amide:sc= -5.95! K(o=-8.1!,f=0.53) USER MOD Set 4.1: A 12 CYS SG : rot -37:sc= -2.45! USER MOD Set 4.2: A 15 GLN : amide:sc= -3.85! C(o=-6.3!,f=-13!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= -0.0112 (180deg=-0.181) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= -0.146 USER MOD Single : A 19 SER OG : rot 85:sc= -0.788 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 TYR OH : rot -48:sc= -2.08! USER MOD Single : A 33 GLN : amide:sc= -0.219 K(o=-0.22,f=-1.1!) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -61:sc= 0.897 USER MOD Single : A 59 THR OG1 : rot -85:sc= 0.99 USER MOD Single : A 61 TYR OH : rot 180:sc= -3.66! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 52:sc= 0.786 USER MOD Single : A 79 GLN : amide:sc= -6.29! C(o=-6.3!,f=-7.7!) USER MOD Single : A 82 LYS NZ :NH3+ -174:sc= -9.33! (180deg=-9.57!) USER MOD Single : A 93 SER OG : rot -142:sc= -3.3! USER MOD Single : A 96 SER OG : rot 180:sc= -0.0244 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=-0.12) 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 59:sc= 1.2 USER MOD Single : A 120 HIS : no HE2:sc= -3.79! C(o=-3.8!,f=-6.6!) USER MOD Single : A 121 LYS NZ :NH3+ -158:sc= -0.0126 (180deg=-0.175) USER MOD Single : A 124 ASN : amide:sc= -7.78! C(o=-7.8!,f=-12!) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 ASN : amide:sc= -1.37 K(o=-1.4,f=-3.5!) 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 1 111.472 8.227 -17.028 1.00 0.00 N ATOM 2 CA MET A 1 111.681 7.663 -18.387 1.00 0.00 C ATOM 3 C MET A 1 111.836 6.146 -18.337 1.00 0.00 C ATOM 4 O MET A 1 111.415 5.438 -19.252 1.00 0.00 O ATOM 5 CB MET A 1 112.933 8.301 -18.992 1.00 0.00 C ATOM 6 CG MET A 1 114.038 7.303 -19.297 1.00 0.00 C ATOM 7 SD MET A 1 115.408 8.040 -20.208 1.00 0.00 S ATOM 8 CE MET A 1 114.836 7.847 -21.894 1.00 0.00 C ATOM 0 H1 MET A 1 111.169 9.219 -17.107 1.00 0.00 H new ATOM 0 H2 MET A 1 110.739 7.679 -16.534 1.00 0.00 H new ATOM 0 H3 MET A 1 112.361 8.178 -16.491 1.00 0.00 H new ATOM 0 HA MET A 1 110.810 7.884 -19.004 1.00 0.00 H new ATOM 0 HB2 MET A 1 112.659 8.819 -19.911 1.00 0.00 H new ATOM 0 HB3 MET A 1 113.315 9.055 -18.304 1.00 0.00 H new ATOM 0 HG2 MET A 1 114.412 6.884 -18.363 1.00 0.00 H new ATOM 0 HG3 MET A 1 113.626 6.476 -19.875 1.00 0.00 H new ATOM 0 HE1 MET A 1 115.578 8.257 -22.579 1.00 0.00 H new ATOM 0 HE2 MET A 1 114.689 6.789 -22.109 1.00 0.00 H new ATOM 0 HE3 MET A 1 113.893 8.378 -22.021 1.00 0.00 H new ATOM 20 N LYS A 2 112.442 5.654 -17.261 1.00 0.00 N ATOM 21 CA LYS A 2 112.652 4.221 -17.091 1.00 0.00 C ATOM 22 C LYS A 2 111.827 3.684 -15.926 1.00 0.00 C ATOM 23 O LYS A 2 111.684 4.343 -14.896 1.00 0.00 O ATOM 24 CB LYS A 2 114.135 3.926 -16.860 1.00 0.00 C ATOM 25 CG LYS A 2 114.829 3.316 -18.065 1.00 0.00 C ATOM 26 CD LYS A 2 116.092 4.081 -18.426 1.00 0.00 C ATOM 27 CE LYS A 2 116.169 4.359 -19.918 1.00 0.00 C ATOM 28 NZ LYS A 2 117.059 3.391 -20.619 1.00 0.00 N ATOM 0 H LYS A 2 112.796 6.226 -16.494 1.00 0.00 H new ATOM 0 HA LYS A 2 112.327 3.721 -18.003 1.00 0.00 H new ATOM 0 HB2 LYS A 2 114.643 4.852 -16.589 1.00 0.00 H new ATOM 0 HB3 LYS A 2 114.234 3.248 -16.012 1.00 0.00 H new ATOM 0 HG2 LYS A 2 115.080 2.276 -17.854 1.00 0.00 H new ATOM 0 HG3 LYS A 2 114.148 3.314 -18.916 1.00 0.00 H new ATOM 0 HD2 LYS A 2 116.117 5.023 -17.878 1.00 0.00 H new ATOM 0 HD3 LYS A 2 116.966 3.508 -18.116 1.00 0.00 H new ATOM 0 HE2 LYS A 2 115.169 4.310 -20.348 1.00 0.00 H new ATOM 0 HE3 LYS A 2 116.536 5.372 -20.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 117.084 3.615 -21.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 118.020 3.455 -20.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 116.695 2.426 -20.486 1.00 0.00 H new ATOM 42 N PRO A 3 111.272 2.473 -16.078 1.00 0.00 N ATOM 43 CA PRO A 3 110.456 1.835 -15.041 1.00 0.00 C ATOM 44 C PRO A 3 111.157 1.805 -13.687 1.00 0.00 C ATOM 45 O PRO A 3 110.713 2.445 -12.733 1.00 0.00 O ATOM 46 CB PRO A 3 110.265 0.416 -15.578 1.00 0.00 C ATOM 47 CG PRO A 3 110.363 0.561 -17.053 1.00 0.00 C ATOM 48 CD PRO A 3 111.398 1.624 -17.277 1.00 0.00 C ATOM 0 HA PRO A 3 109.524 2.371 -14.862 1.00 0.00 H new ATOM 0 HB2 PRO A 3 111.029 -0.260 -15.194 1.00 0.00 H new ATOM 0 HB3 PRO A 3 109.299 0.006 -15.283 1.00 0.00 H new ATOM 0 HG2 PRO A 3 110.656 -0.378 -17.522 1.00 0.00 H new ATOM 0 HG3 PRO A 3 109.404 0.848 -17.485 1.00 0.00 H new ATOM 0 HD2 PRO A 3 112.398 1.200 -17.367 1.00 0.00 H new ATOM 0 HD3 PRO A 3 111.207 2.186 -18.191 1.00 0.00 H new ATOM 56 N ALA A 4 112.253 1.058 -13.611 1.00 0.00 N ATOM 57 CA ALA A 4 113.017 0.946 -12.374 1.00 0.00 C ATOM 58 C ALA A 4 114.494 0.703 -12.661 1.00 0.00 C ATOM 59 O ALA A 4 115.040 -0.345 -12.315 1.00 0.00 O ATOM 60 CB ALA A 4 112.455 -0.172 -11.508 1.00 0.00 C ATOM 0 H ALA A 4 112.632 0.521 -14.391 1.00 0.00 H new ATOM 0 HA ALA A 4 112.929 1.889 -11.835 1.00 0.00 H new ATOM 0 HB1 ALA A 4 113.034 -0.245 -10.587 1.00 0.00 H new ATOM 0 HB2 ALA A 4 111.414 0.043 -11.266 1.00 0.00 H new ATOM 0 HB3 ALA A 4 112.513 -1.116 -12.050 1.00 0.00 H new ATOM 66 N ALA A 5 115.136 1.677 -13.297 1.00 0.00 N ATOM 67 CA ALA A 5 116.551 1.569 -13.631 1.00 0.00 C ATOM 68 C ALA A 5 117.275 2.888 -13.384 1.00 0.00 C ATOM 69 O ALA A 5 117.606 3.611 -14.323 1.00 0.00 O ATOM 70 CB ALA A 5 116.720 1.136 -15.079 1.00 0.00 C ATOM 0 H ALA A 5 114.699 2.550 -13.591 1.00 0.00 H new ATOM 0 HA ALA A 5 116.995 0.813 -12.983 1.00 0.00 H new ATOM 0 HB1 ALA A 5 117.782 1.060 -15.314 1.00 0.00 H new ATOM 0 HB2 ALA A 5 116.245 0.166 -15.227 1.00 0.00 H new ATOM 0 HB3 ALA A 5 116.255 1.872 -15.735 1.00 0.00 H new ATOM 76 N ARG A 6 117.518 3.195 -12.114 1.00 0.00 N ATOM 77 CA ARG A 6 118.203 4.427 -11.743 1.00 0.00 C ATOM 78 C ARG A 6 119.353 4.143 -10.781 1.00 0.00 C ATOM 79 O ARG A 6 120.521 4.318 -11.126 1.00 0.00 O ATOM 80 CB ARG A 6 117.220 5.410 -11.104 1.00 0.00 C ATOM 81 CG ARG A 6 117.555 6.868 -11.375 1.00 0.00 C ATOM 82 CD ARG A 6 117.961 7.591 -10.101 1.00 0.00 C ATOM 83 NE ARG A 6 116.803 8.048 -9.338 1.00 0.00 N ATOM 84 CZ ARG A 6 116.028 9.061 -9.712 1.00 0.00 C ATOM 85 NH1 ARG A 6 116.288 9.718 -10.834 1.00 0.00 N ATOM 86 NH2 ARG A 6 114.992 9.418 -8.965 1.00 0.00 N ATOM 0 H ARG A 6 117.250 2.607 -11.325 1.00 0.00 H new ATOM 0 HA ARG A 6 118.613 4.871 -12.650 1.00 0.00 H new ATOM 0 HB2 ARG A 6 116.217 5.201 -11.476 1.00 0.00 H new ATOM 0 HB3 ARG A 6 117.202 5.244 -10.027 1.00 0.00 H new ATOM 0 HG2 ARG A 6 118.365 6.928 -12.102 1.00 0.00 H new ATOM 0 HG3 ARG A 6 116.692 7.365 -11.818 1.00 0.00 H new ATOM 0 HD2 ARG A 6 118.563 6.925 -9.482 1.00 0.00 H new ATOM 0 HD3 ARG A 6 118.589 8.445 -10.354 1.00 0.00 H new ATOM 0 HE ARG A 6 116.576 7.563 -8.470 1.00 0.00 H new ATOM 0 HH11 ARG A 6 117.084 9.446 -11.411 1.00 0.00 H new ATOM 0 HH12 ARG A 6 115.692 10.495 -11.120 1.00 0.00 H new ATOM 0 HH21 ARG A 6 114.789 8.915 -8.101 1.00 0.00 H new ATOM 0 HH22 ARG A 6 114.399 10.196 -9.254 1.00 0.00 H new ATOM 100 N ARG A 7 119.013 3.705 -9.573 1.00 0.00 N ATOM 101 CA ARG A 7 120.017 3.398 -8.561 1.00 0.00 C ATOM 102 C ARG A 7 119.932 1.937 -8.132 1.00 0.00 C ATOM 103 O ARG A 7 120.839 1.417 -7.483 1.00 0.00 O ATOM 104 CB ARG A 7 119.841 4.309 -7.345 1.00 0.00 C ATOM 105 CG ARG A 7 121.140 4.606 -6.612 1.00 0.00 C ATOM 106 CD ARG A 7 120.902 4.841 -5.130 1.00 0.00 C ATOM 107 NE ARG A 7 122.141 5.146 -4.419 1.00 0.00 N ATOM 108 CZ ARG A 7 122.644 6.371 -4.310 1.00 0.00 C ATOM 109 NH1 ARG A 7 122.017 7.400 -4.863 1.00 0.00 N ATOM 110 NH2 ARG A 7 123.776 6.568 -3.648 1.00 0.00 N ATOM 0 H ARG A 7 118.050 3.555 -9.271 1.00 0.00 H new ATOM 0 HA ARG A 7 121.000 3.572 -8.998 1.00 0.00 H new ATOM 0 HB2 ARG A 7 119.393 5.249 -7.668 1.00 0.00 H new ATOM 0 HB3 ARG A 7 119.141 3.844 -6.651 1.00 0.00 H new ATOM 0 HG2 ARG A 7 121.831 3.774 -6.743 1.00 0.00 H new ATOM 0 HG3 ARG A 7 121.613 5.485 -7.049 1.00 0.00 H new ATOM 0 HD2 ARG A 7 120.198 5.664 -5.002 1.00 0.00 H new ATOM 0 HD3 ARG A 7 120.441 3.956 -4.692 1.00 0.00 H new ATOM 0 HE ARG A 7 122.648 4.376 -3.982 1.00 0.00 H new ATOM 0 HH11 ARG A 7 121.146 7.252 -5.374 1.00 0.00 H new ATOM 0 HH12 ARG A 7 122.405 8.339 -4.778 1.00 0.00 H new ATOM 0 HH21 ARG A 7 124.262 5.779 -3.222 1.00 0.00 H new ATOM 0 HH22 ARG A 7 124.161 7.509 -3.565 1.00 0.00 H new ATOM 124 N ARG A 8 118.836 1.280 -8.498 1.00 0.00 N ATOM 125 CA ARG A 8 118.633 -0.122 -8.149 1.00 0.00 C ATOM 126 C ARG A 8 118.638 -0.311 -6.635 1.00 0.00 C ATOM 127 O ARG A 8 117.579 -0.479 -6.024 1.00 0.00 O ATOM 128 CB ARG A 8 119.718 -0.991 -8.787 1.00 0.00 C ATOM 129 CG ARG A 8 119.217 -1.835 -9.948 1.00 0.00 C ATOM 130 CD ARG A 8 118.425 -3.038 -9.460 1.00 0.00 C ATOM 131 NE ARG A 8 117.504 -3.534 -10.478 1.00 0.00 N ATOM 132 CZ ARG A 8 116.273 -3.063 -10.650 1.00 0.00 C ATOM 133 NH1 ARG A 8 115.821 -2.086 -9.874 1.00 0.00 N ATOM 134 NH2 ARG A 8 115.495 -3.565 -11.598 1.00 0.00 N ATOM 0 H ARG A 8 118.075 1.695 -9.036 1.00 0.00 H new ATOM 0 HA ARG A 8 117.660 -0.429 -8.533 1.00 0.00 H new ATOM 0 HB2 ARG A 8 120.526 -0.349 -9.137 1.00 0.00 H new ATOM 0 HB3 ARG A 8 120.140 -1.648 -8.026 1.00 0.00 H new ATOM 0 HG2 ARG A 8 118.591 -1.225 -10.599 1.00 0.00 H new ATOM 0 HG3 ARG A 8 120.064 -2.173 -10.546 1.00 0.00 H new ATOM 0 HD2 ARG A 8 119.113 -3.834 -9.175 1.00 0.00 H new ATOM 0 HD3 ARG A 8 117.865 -2.765 -8.566 1.00 0.00 H new ATOM 0 HE ARG A 8 117.823 -4.284 -11.092 1.00 0.00 H new ATOM 0 HH11 ARG A 8 116.418 -1.696 -9.145 1.00 0.00 H new ATOM 0 HH12 ARG A 8 114.876 -1.725 -10.007 1.00 0.00 H new ATOM 0 HH21 ARG A 8 115.840 -4.314 -12.198 1.00 0.00 H new ATOM 0 HH22 ARG A 8 114.551 -3.202 -11.728 1.00 0.00 H new ATOM 148 N ALA A 9 119.841 -0.275 -6.049 1.00 0.00 N ATOM 149 CA ALA A 9 120.028 -0.436 -4.604 1.00 0.00 C ATOM 150 C ALA A 9 118.723 -0.242 -3.841 1.00 0.00 C ATOM 151 O ALA A 9 118.254 -1.151 -3.155 1.00 0.00 O ATOM 152 CB ALA A 9 121.087 0.536 -4.105 1.00 0.00 C ATOM 0 H ALA A 9 120.710 -0.134 -6.563 1.00 0.00 H new ATOM 0 HA ALA A 9 120.363 -1.457 -4.421 1.00 0.00 H new ATOM 0 HB1 ALA A 9 121.220 0.410 -3.030 1.00 0.00 H new ATOM 0 HB2 ALA A 9 122.031 0.338 -4.613 1.00 0.00 H new ATOM 0 HB3 ALA A 9 120.770 1.558 -4.314 1.00 0.00 H new ATOM 158 N ARG A 10 118.140 0.944 -3.976 1.00 0.00 N ATOM 159 CA ARG A 10 116.885 1.264 -3.306 1.00 0.00 C ATOM 160 C ARG A 10 115.990 0.034 -3.192 1.00 0.00 C ATOM 161 O ARG A 10 115.879 -0.571 -2.125 1.00 0.00 O ATOM 162 CB ARG A 10 116.149 2.370 -4.063 1.00 0.00 C ATOM 163 CG ARG A 10 116.147 3.706 -3.339 1.00 0.00 C ATOM 164 CD ARG A 10 117.065 4.709 -4.018 1.00 0.00 C ATOM 165 NE ARG A 10 116.774 4.840 -5.443 1.00 0.00 N ATOM 166 CZ ARG A 10 115.818 5.624 -5.931 1.00 0.00 C ATOM 167 NH1 ARG A 10 115.066 6.345 -5.109 1.00 0.00 N ATOM 168 NH2 ARG A 10 115.613 5.689 -7.239 1.00 0.00 N ATOM 0 H ARG A 10 118.518 1.702 -4.545 1.00 0.00 H new ATOM 0 HA ARG A 10 117.122 1.610 -2.300 1.00 0.00 H new ATOM 0 HB2 ARG A 10 116.611 2.498 -5.042 1.00 0.00 H new ATOM 0 HB3 ARG A 10 115.119 2.058 -4.235 1.00 0.00 H new ATOM 0 HG2 ARG A 10 115.132 4.103 -3.308 1.00 0.00 H new ATOM 0 HG3 ARG A 10 116.464 3.562 -2.306 1.00 0.00 H new ATOM 0 HD2 ARG A 10 116.960 5.681 -3.536 1.00 0.00 H new ATOM 0 HD3 ARG A 10 118.102 4.398 -3.887 1.00 0.00 H new ATOM 0 HE ARG A 10 117.336 4.300 -6.101 1.00 0.00 H new ATOM 0 HH11 ARG A 10 115.221 6.298 -4.102 1.00 0.00 H new ATOM 0 HH12 ARG A 10 114.333 6.946 -5.484 1.00 0.00 H new ATOM 0 HH21 ARG A 10 116.190 5.137 -7.874 1.00 0.00 H new ATOM 0 HH22 ARG A 10 114.879 6.291 -7.611 1.00 0.00 H new ATOM 182 N GLU A 11 115.357 -0.330 -4.301 1.00 0.00 N ATOM 183 CA GLU A 11 114.468 -1.486 -4.329 1.00 0.00 C ATOM 184 C GLU A 11 115.237 -2.773 -4.057 1.00 0.00 C ATOM 185 O GLU A 11 114.695 -3.723 -3.495 1.00 0.00 O ATOM 186 CB GLU A 11 113.760 -1.576 -5.682 1.00 0.00 C ATOM 187 CG GLU A 11 113.545 -0.226 -6.347 1.00 0.00 C ATOM 188 CD GLU A 11 112.534 -0.285 -7.473 1.00 0.00 C ATOM 189 OE1 GLU A 11 111.929 -1.359 -7.673 1.00 0.00 O ATOM 190 OE2 GLU A 11 112.345 0.743 -8.157 1.00 0.00 O ATOM 0 H GLU A 11 115.443 0.158 -5.193 1.00 0.00 H new ATOM 0 HA GLU A 11 113.723 -1.359 -3.543 1.00 0.00 H new ATOM 0 HB2 GLU A 11 114.345 -2.210 -6.348 1.00 0.00 H new ATOM 0 HB3 GLU A 11 112.794 -2.063 -5.546 1.00 0.00 H new ATOM 0 HG2 GLU A 11 113.209 0.493 -5.600 1.00 0.00 H new ATOM 0 HG3 GLU A 11 114.496 0.139 -6.736 1.00 0.00 H new ATOM 197 N CYS A 12 116.501 -2.799 -4.456 1.00 0.00 N ATOM 198 CA CYS A 12 117.335 -3.974 -4.252 1.00 0.00 C ATOM 199 C CYS A 12 117.535 -4.243 -2.767 1.00 0.00 C ATOM 200 O CYS A 12 117.653 -5.392 -2.343 1.00 0.00 O ATOM 201 CB CYS A 12 118.690 -3.789 -4.938 1.00 0.00 C ATOM 202 SG CYS A 12 119.371 -5.305 -5.648 1.00 0.00 S ATOM 0 H CYS A 12 116.970 -2.022 -4.922 1.00 0.00 H new ATOM 0 HA CYS A 12 116.828 -4.832 -4.694 1.00 0.00 H new ATOM 0 HB2 CYS A 12 118.587 -3.045 -5.728 1.00 0.00 H new ATOM 0 HB3 CYS A 12 119.400 -3.389 -4.214 1.00 0.00 H new ATOM 0 HG CYS A 12 119.095 -6.310 -4.871 1.00 0.00 H new ATOM 208 N ALA A 13 117.572 -3.174 -1.982 1.00 0.00 N ATOM 209 CA ALA A 13 117.765 -3.293 -0.546 1.00 0.00 C ATOM 210 C ALA A 13 116.628 -4.078 0.107 1.00 0.00 C ATOM 211 O ALA A 13 116.829 -4.774 1.100 1.00 0.00 O ATOM 212 CB ALA A 13 117.892 -1.910 0.080 1.00 0.00 C ATOM 0 H ALA A 13 117.471 -2.216 -2.317 1.00 0.00 H new ATOM 0 HA ALA A 13 118.688 -3.847 -0.372 1.00 0.00 H new ATOM 0 HB1 ALA A 13 118.036 -2.009 1.156 1.00 0.00 H new ATOM 0 HB2 ALA A 13 118.747 -1.391 -0.354 1.00 0.00 H new ATOM 0 HB3 ALA A 13 116.984 -1.338 -0.113 1.00 0.00 H new ATOM 218 N VAL A 14 115.431 -3.969 -0.452 1.00 0.00 N ATOM 219 CA VAL A 14 114.283 -4.673 0.101 1.00 0.00 C ATOM 220 C VAL A 14 114.517 -6.179 0.145 1.00 0.00 C ATOM 221 O VAL A 14 114.115 -6.847 1.097 1.00 0.00 O ATOM 222 CB VAL A 14 113.000 -4.366 -0.690 1.00 0.00 C ATOM 223 CG1 VAL A 14 112.820 -2.866 -0.828 1.00 0.00 C ATOM 224 CG2 VAL A 14 113.027 -5.026 -2.058 1.00 0.00 C ATOM 0 H VAL A 14 115.230 -3.406 -1.279 1.00 0.00 H new ATOM 0 HA VAL A 14 114.156 -4.314 1.122 1.00 0.00 H new ATOM 0 HB VAL A 14 112.153 -4.776 -0.139 1.00 0.00 H new ATOM 0 HG11 VAL A 14 111.909 -2.659 -1.389 1.00 0.00 H new ATOM 0 HG12 VAL A 14 112.746 -2.416 0.162 1.00 0.00 H new ATOM 0 HG13 VAL A 14 113.675 -2.444 -1.356 1.00 0.00 H new ATOM 0 HG21 VAL A 14 112.107 -4.791 -2.594 1.00 0.00 H new ATOM 0 HG22 VAL A 14 113.881 -4.655 -2.624 1.00 0.00 H new ATOM 0 HG23 VAL A 14 113.112 -6.106 -1.939 1.00 0.00 H new ATOM 234 N GLN A 15 115.199 -6.706 -0.866 1.00 0.00 N ATOM 235 CA GLN A 15 115.503 -8.126 -0.912 1.00 0.00 C ATOM 236 C GLN A 15 116.466 -8.455 0.210 1.00 0.00 C ATOM 237 O GLN A 15 116.353 -9.487 0.870 1.00 0.00 O ATOM 238 CB GLN A 15 116.112 -8.504 -2.262 1.00 0.00 C ATOM 239 CG GLN A 15 117.625 -8.389 -2.294 1.00 0.00 C ATOM 240 CD GLN A 15 118.193 -8.533 -3.692 1.00 0.00 C ATOM 241 OE1 GLN A 15 118.792 -7.602 -4.231 1.00 0.00 O ATOM 242 NE2 GLN A 15 118.009 -9.706 -4.287 1.00 0.00 N ATOM 0 H GLN A 15 115.549 -6.171 -1.661 1.00 0.00 H new ATOM 0 HA GLN A 15 114.583 -8.698 -0.788 1.00 0.00 H new ATOM 0 HB2 GLN A 15 115.828 -9.527 -2.507 1.00 0.00 H new ATOM 0 HB3 GLN A 15 115.690 -7.862 -3.035 1.00 0.00 H new ATOM 0 HG2 GLN A 15 117.921 -7.423 -1.884 1.00 0.00 H new ATOM 0 HG3 GLN A 15 118.057 -9.155 -1.650 1.00 0.00 H new ATOM 0 HE21 GLN A 15 117.506 -10.450 -3.803 1.00 0.00 H new ATOM 0 HE22 GLN A 15 118.370 -9.863 -5.228 1.00 0.00 H new ATOM 251 N ALA A 16 117.394 -7.536 0.441 1.00 0.00 N ATOM 252 CA ALA A 16 118.362 -7.687 1.505 1.00 0.00 C ATOM 253 C ALA A 16 117.660 -7.512 2.838 1.00 0.00 C ATOM 254 O ALA A 16 118.063 -8.086 3.849 1.00 0.00 O ATOM 255 CB ALA A 16 119.482 -6.679 1.340 1.00 0.00 C ATOM 0 H ALA A 16 117.492 -6.677 -0.100 1.00 0.00 H new ATOM 0 HA ALA A 16 118.804 -8.682 1.466 1.00 0.00 H new ATOM 0 HB1 ALA A 16 120.204 -6.802 2.147 1.00 0.00 H new ATOM 0 HB2 ALA A 16 119.977 -6.839 0.382 1.00 0.00 H new ATOM 0 HB3 ALA A 16 119.071 -5.670 1.372 1.00 0.00 H new ATOM 261 N LEU A 17 116.575 -6.737 2.819 1.00 0.00 N ATOM 262 CA LEU A 17 115.788 -6.520 4.017 1.00 0.00 C ATOM 263 C LEU A 17 115.196 -7.849 4.447 1.00 0.00 C ATOM 264 O LEU A 17 115.014 -8.112 5.635 1.00 0.00 O ATOM 265 CB LEU A 17 114.676 -5.501 3.758 1.00 0.00 C ATOM 266 CG LEU A 17 114.730 -4.247 4.633 1.00 0.00 C ATOM 267 CD1 LEU A 17 114.125 -3.060 3.901 1.00 0.00 C ATOM 268 CD2 LEU A 17 114.007 -4.488 5.950 1.00 0.00 C ATOM 0 H LEU A 17 116.229 -6.255 1.989 1.00 0.00 H new ATOM 0 HA LEU A 17 116.425 -6.121 4.807 1.00 0.00 H new ATOM 0 HB2 LEU A 17 114.719 -5.198 2.712 1.00 0.00 H new ATOM 0 HB3 LEU A 17 113.714 -5.990 3.909 1.00 0.00 H new ATOM 0 HG LEU A 17 115.774 -4.020 4.849 1.00 0.00 H new ATOM 0 HD11 LEU A 17 114.172 -2.177 4.538 1.00 0.00 H new ATOM 0 HD12 LEU A 17 114.684 -2.875 2.983 1.00 0.00 H new ATOM 0 HD13 LEU A 17 113.085 -3.275 3.656 1.00 0.00 H new ATOM 0 HD21 LEU A 17 114.054 -3.587 6.561 1.00 0.00 H new ATOM 0 HD22 LEU A 17 112.965 -4.738 5.752 1.00 0.00 H new ATOM 0 HD23 LEU A 17 114.483 -5.312 6.481 1.00 0.00 H new ATOM 280 N TYR A 18 114.922 -8.693 3.456 1.00 0.00 N ATOM 281 CA TYR A 18 114.373 -10.018 3.714 1.00 0.00 C ATOM 282 C TYR A 18 115.387 -10.870 4.474 1.00 0.00 C ATOM 283 O TYR A 18 115.026 -11.666 5.341 1.00 0.00 O ATOM 284 CB TYR A 18 113.997 -10.704 2.400 1.00 0.00 C ATOM 285 CG TYR A 18 113.399 -12.080 2.582 1.00 0.00 C ATOM 286 CD1 TYR A 18 112.117 -12.240 3.093 1.00 0.00 C ATOM 287 CD2 TYR A 18 114.117 -13.220 2.242 1.00 0.00 C ATOM 288 CE1 TYR A 18 111.568 -13.497 3.260 1.00 0.00 C ATOM 289 CE2 TYR A 18 113.574 -14.481 2.407 1.00 0.00 C ATOM 290 CZ TYR A 18 112.299 -14.613 2.915 1.00 0.00 C ATOM 291 OH TYR A 18 111.756 -15.866 3.080 1.00 0.00 O ATOM 0 H TYR A 18 115.071 -8.482 2.469 1.00 0.00 H new ATOM 0 HA TYR A 18 113.475 -9.908 4.322 1.00 0.00 H new ATOM 0 HB2 TYR A 18 113.285 -10.076 1.864 1.00 0.00 H new ATOM 0 HB3 TYR A 18 114.886 -10.784 1.775 1.00 0.00 H new ATOM 0 HD1 TYR A 18 111.540 -11.368 3.364 1.00 0.00 H new ATOM 0 HD2 TYR A 18 115.115 -13.120 1.842 1.00 0.00 H new ATOM 0 HE1 TYR A 18 110.570 -13.604 3.659 1.00 0.00 H new ATOM 0 HE2 TYR A 18 114.145 -15.358 2.139 1.00 0.00 H new ATOM 0 HH TYR A 18 112.401 -16.543 2.788 1.00 0.00 H new ATOM 301 N SER A 19 116.663 -10.690 4.137 1.00 0.00 N ATOM 302 CA SER A 19 117.747 -11.432 4.776 1.00 0.00 C ATOM 303 C SER A 19 117.851 -11.082 6.259 1.00 0.00 C ATOM 304 O SER A 19 118.242 -11.913 7.078 1.00 0.00 O ATOM 305 CB SER A 19 119.079 -11.143 4.080 1.00 0.00 C ATOM 306 OG SER A 19 118.939 -10.119 3.109 1.00 0.00 O ATOM 0 H SER A 19 116.972 -10.033 3.421 1.00 0.00 H new ATOM 0 HA SER A 19 117.522 -12.495 4.686 1.00 0.00 H new ATOM 0 HB2 SER A 19 119.822 -10.847 4.820 1.00 0.00 H new ATOM 0 HB3 SER A 19 119.448 -12.051 3.604 1.00 0.00 H new ATOM 0 HG SER A 19 119.019 -9.244 3.543 1.00 0.00 H new ATOM 312 N TRP A 20 117.508 -9.844 6.593 1.00 0.00 N ATOM 313 CA TRP A 20 117.570 -9.372 7.975 1.00 0.00 C ATOM 314 C TRP A 20 116.678 -10.211 8.880 1.00 0.00 C ATOM 315 O TRP A 20 117.106 -10.674 9.938 1.00 0.00 O ATOM 316 CB TRP A 20 117.113 -7.916 8.038 1.00 0.00 C ATOM 317 CG TRP A 20 117.450 -7.231 9.328 1.00 0.00 C ATOM 318 CD1 TRP A 20 118.077 -7.777 10.411 1.00 0.00 C ATOM 319 CD2 TRP A 20 117.171 -5.868 9.669 1.00 0.00 C ATOM 320 NE1 TRP A 20 118.210 -6.834 11.403 1.00 0.00 N ATOM 321 CE2 TRP A 20 117.661 -5.654 10.972 1.00 0.00 C ATOM 322 CE3 TRP A 20 116.558 -4.807 8.998 1.00 0.00 C ATOM 323 CZ2 TRP A 20 117.555 -4.423 11.615 1.00 0.00 C ATOM 324 CZ3 TRP A 20 116.452 -3.585 9.638 1.00 0.00 C ATOM 325 CH2 TRP A 20 116.949 -3.402 10.934 1.00 0.00 C ATOM 0 H TRP A 20 117.183 -9.145 5.925 1.00 0.00 H new ATOM 0 HA TRP A 20 118.600 -9.460 8.319 1.00 0.00 H new ATOM 0 HB2 TRP A 20 117.570 -7.366 7.215 1.00 0.00 H new ATOM 0 HB3 TRP A 20 116.034 -7.877 7.888 1.00 0.00 H new ATOM 0 HD1 TRP A 20 118.418 -8.799 10.479 1.00 0.00 H new ATOM 0 HE1 TRP A 20 118.646 -6.988 12.312 1.00 0.00 H new ATOM 0 HE3 TRP A 20 116.174 -4.938 7.997 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 117.937 -4.279 12.615 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 115.978 -2.759 9.129 1.00 0.00 H new ATOM 0 HH2 TRP A 20 116.852 -2.435 11.406 1.00 0.00 H new ATOM 336 N GLN A 21 115.437 -10.395 8.458 1.00 0.00 N ATOM 337 CA GLN A 21 114.474 -11.173 9.228 1.00 0.00 C ATOM 338 C GLN A 21 114.958 -12.603 9.447 1.00 0.00 C ATOM 339 O GLN A 21 114.922 -13.116 10.567 1.00 0.00 O ATOM 340 CB GLN A 21 113.119 -11.186 8.520 1.00 0.00 C ATOM 341 CG GLN A 21 112.022 -10.466 9.288 1.00 0.00 C ATOM 342 CD GLN A 21 111.392 -11.336 10.358 1.00 0.00 C ATOM 343 OE1 GLN A 21 111.649 -11.160 11.548 1.00 0.00 O ATOM 344 NE2 GLN A 21 110.562 -12.283 9.936 1.00 0.00 N ATOM 0 H GLN A 21 115.070 -10.016 7.585 1.00 0.00 H new ATOM 0 HA GLN A 21 114.369 -10.698 10.204 1.00 0.00 H new ATOM 0 HB2 GLN A 21 113.227 -10.724 7.539 1.00 0.00 H new ATOM 0 HB3 GLN A 21 112.816 -12.220 8.354 1.00 0.00 H new ATOM 0 HG2 GLN A 21 112.436 -9.570 9.751 1.00 0.00 H new ATOM 0 HG3 GLN A 21 111.251 -10.138 8.591 1.00 0.00 H new ATOM 0 HE21 GLN A 21 110.378 -12.393 8.939 1.00 0.00 H new ATOM 0 HE22 GLN A 21 110.108 -12.901 10.609 1.00 0.00 H new ATOM 353 N LEU A 22 115.398 -13.249 8.372 1.00 0.00 N ATOM 354 CA LEU A 22 115.875 -14.628 8.447 1.00 0.00 C ATOM 355 C LEU A 22 117.294 -14.710 9.008 1.00 0.00 C ATOM 356 O LEU A 22 117.568 -15.503 9.907 1.00 0.00 O ATOM 357 CB LEU A 22 115.826 -15.276 7.062 1.00 0.00 C ATOM 358 CG LEU A 22 114.504 -15.103 6.313 1.00 0.00 C ATOM 359 CD1 LEU A 22 114.554 -15.814 4.970 1.00 0.00 C ATOM 360 CD2 LEU A 22 113.346 -15.624 7.150 1.00 0.00 C ATOM 0 H LEU A 22 115.435 -12.841 7.438 1.00 0.00 H new ATOM 0 HA LEU A 22 115.216 -15.167 9.128 1.00 0.00 H new ATOM 0 HB2 LEU A 22 116.628 -14.858 6.454 1.00 0.00 H new ATOM 0 HB3 LEU A 22 116.029 -16.342 7.169 1.00 0.00 H new ATOM 0 HG LEU A 22 114.347 -14.040 6.132 1.00 0.00 H new ATOM 0 HD11 LEU A 22 113.605 -15.680 4.452 1.00 0.00 H new ATOM 0 HD12 LEU A 22 115.359 -15.395 4.366 1.00 0.00 H new ATOM 0 HD13 LEU A 22 114.734 -16.877 5.128 1.00 0.00 H new ATOM 0 HD21 LEU A 22 112.413 -15.493 6.602 1.00 0.00 H new ATOM 0 HD22 LEU A 22 113.497 -16.683 7.361 1.00 0.00 H new ATOM 0 HD23 LEU A 22 113.297 -15.070 8.088 1.00 0.00 H new ATOM 372 N SER A 23 118.196 -13.899 8.463 1.00 0.00 N ATOM 373 CA SER A 23 119.588 -13.897 8.903 1.00 0.00 C ATOM 374 C SER A 23 119.734 -13.313 10.305 1.00 0.00 C ATOM 375 O SER A 23 120.390 -13.900 11.166 1.00 0.00 O ATOM 376 CB SER A 23 120.453 -13.108 7.918 1.00 0.00 C ATOM 377 OG SER A 23 121.737 -13.693 7.784 1.00 0.00 O ATOM 0 H SER A 23 117.989 -13.235 7.717 1.00 0.00 H new ATOM 0 HA SER A 23 119.926 -14.933 8.933 1.00 0.00 H new ATOM 0 HB2 SER A 23 119.962 -13.074 6.945 1.00 0.00 H new ATOM 0 HB3 SER A 23 120.553 -12.078 8.261 1.00 0.00 H new ATOM 0 HG SER A 23 122.270 -13.171 7.149 1.00 0.00 H new ATOM 383 N GLN A 24 119.124 -12.155 10.531 1.00 0.00 N ATOM 384 CA GLN A 24 119.193 -11.496 11.831 1.00 0.00 C ATOM 385 C GLN A 24 120.644 -11.292 12.265 1.00 0.00 C ATOM 386 O GLN A 24 121.093 -11.866 13.257 1.00 0.00 O ATOM 387 CB GLN A 24 118.447 -12.319 12.883 1.00 0.00 C ATOM 388 CG GLN A 24 116.937 -12.159 12.822 1.00 0.00 C ATOM 389 CD GLN A 24 116.264 -12.467 14.145 1.00 0.00 C ATOM 390 OE1 GLN A 24 116.138 -13.628 14.535 1.00 0.00 O ATOM 391 NE2 GLN A 24 115.824 -11.426 14.842 1.00 0.00 N ATOM 0 H GLN A 24 118.576 -11.653 9.832 1.00 0.00 H new ATOM 0 HA GLN A 24 118.720 -10.518 11.739 1.00 0.00 H new ATOM 0 HB2 GLN A 24 118.698 -13.372 12.754 1.00 0.00 H new ATOM 0 HB3 GLN A 24 118.795 -12.028 13.874 1.00 0.00 H new ATOM 0 HG2 GLN A 24 116.695 -11.139 12.525 1.00 0.00 H new ATOM 0 HG3 GLN A 24 116.536 -12.819 12.052 1.00 0.00 H new ATOM 0 HE21 GLN A 24 115.950 -10.480 14.481 1.00 0.00 H new ATOM 0 HE22 GLN A 24 115.360 -11.572 15.739 1.00 0.00 H new ATOM 400 N ASN A 25 121.369 -10.468 11.514 1.00 0.00 N ATOM 401 CA ASN A 25 122.769 -10.180 11.818 1.00 0.00 C ATOM 402 C ASN A 25 123.076 -8.704 11.561 1.00 0.00 C ATOM 403 O ASN A 25 122.234 -7.843 11.813 1.00 0.00 O ATOM 404 CB ASN A 25 123.683 -11.072 10.973 1.00 0.00 C ATOM 405 CG ASN A 25 123.253 -12.526 10.996 1.00 0.00 C ATOM 406 OD1 ASN A 25 123.560 -13.262 11.934 1.00 0.00 O ATOM 407 ND2 ASN A 25 122.539 -12.947 9.959 1.00 0.00 N ATOM 0 H ASN A 25 121.010 -9.987 10.689 1.00 0.00 H new ATOM 0 HA ASN A 25 122.951 -10.391 12.872 1.00 0.00 H new ATOM 0 HB2 ASN A 25 123.686 -10.713 9.944 1.00 0.00 H new ATOM 0 HB3 ASN A 25 124.706 -10.992 11.342 1.00 0.00 H new ATOM 0 HD21 ASN A 25 122.222 -13.916 9.918 1.00 0.00 H new ATOM 0 HD22 ASN A 25 122.308 -12.302 9.204 1.00 0.00 H new ATOM 414 N ASP A 26 124.274 -8.411 11.053 1.00 0.00 N ATOM 415 CA ASP A 26 124.652 -7.030 10.763 1.00 0.00 C ATOM 416 C ASP A 26 123.792 -6.484 9.630 1.00 0.00 C ATOM 417 O ASP A 26 124.293 -6.153 8.555 1.00 0.00 O ATOM 418 CB ASP A 26 126.132 -6.931 10.383 1.00 0.00 C ATOM 419 CG ASP A 26 126.961 -8.070 10.948 1.00 0.00 C ATOM 420 OD1 ASP A 26 127.374 -7.977 12.123 1.00 0.00 O ATOM 421 OD2 ASP A 26 127.196 -9.054 10.215 1.00 0.00 O ATOM 0 H ASP A 26 124.991 -9.104 10.836 1.00 0.00 H new ATOM 0 HA ASP A 26 124.489 -6.437 11.663 1.00 0.00 H new ATOM 0 HB2 ASP A 26 126.224 -6.924 9.297 1.00 0.00 H new ATOM 0 HB3 ASP A 26 126.532 -5.983 10.743 1.00 0.00 H new ATOM 426 N ILE A 27 122.493 -6.413 9.882 1.00 0.00 N ATOM 427 CA ILE A 27 121.535 -5.931 8.898 1.00 0.00 C ATOM 428 C ILE A 27 122.139 -4.885 7.970 1.00 0.00 C ATOM 429 O ILE A 27 121.993 -4.967 6.750 1.00 0.00 O ATOM 430 CB ILE A 27 120.294 -5.330 9.581 1.00 0.00 C ATOM 431 CG1 ILE A 27 119.579 -4.362 8.636 1.00 0.00 C ATOM 432 CG2 ILE A 27 120.686 -4.628 10.872 1.00 0.00 C ATOM 433 CD1 ILE A 27 119.090 -5.014 7.362 1.00 0.00 C ATOM 0 H ILE A 27 122.075 -6.687 10.771 1.00 0.00 H new ATOM 0 HA ILE A 27 121.246 -6.798 8.304 1.00 0.00 H new ATOM 0 HB ILE A 27 119.607 -6.140 9.826 1.00 0.00 H new ATOM 0 HG12 ILE A 27 118.730 -3.918 9.157 1.00 0.00 H new ATOM 0 HG13 ILE A 27 120.257 -3.548 8.381 1.00 0.00 H new ATOM 0 HG21 ILE A 27 119.797 -4.208 11.343 1.00 0.00 H new ATOM 0 HG22 ILE A 27 121.151 -5.345 11.549 1.00 0.00 H new ATOM 0 HG23 ILE A 27 121.392 -3.827 10.651 1.00 0.00 H new ATOM 0 HD11 ILE A 27 118.593 -4.270 6.740 1.00 0.00 H new ATOM 0 HD12 ILE A 27 119.937 -5.433 6.819 1.00 0.00 H new ATOM 0 HD13 ILE A 27 118.387 -5.810 7.607 1.00 0.00 H new ATOM 445 N ALA A 28 122.805 -3.894 8.548 1.00 0.00 N ATOM 446 CA ALA A 28 123.411 -2.827 7.763 1.00 0.00 C ATOM 447 C ALA A 28 124.394 -3.379 6.739 1.00 0.00 C ATOM 448 O ALA A 28 124.311 -3.068 5.552 1.00 0.00 O ATOM 449 CB ALA A 28 124.104 -1.828 8.676 1.00 0.00 C ATOM 0 H ALA A 28 122.939 -3.807 9.555 1.00 0.00 H new ATOM 0 HA ALA A 28 122.615 -2.318 7.220 1.00 0.00 H new ATOM 0 HB1 ALA A 28 124.552 -1.036 8.076 1.00 0.00 H new ATOM 0 HB2 ALA A 28 123.375 -1.395 9.361 1.00 0.00 H new ATOM 0 HB3 ALA A 28 124.882 -2.335 9.247 1.00 0.00 H new ATOM 455 N ASP A 29 125.329 -4.191 7.208 1.00 0.00 N ATOM 456 CA ASP A 29 126.335 -4.780 6.337 1.00 0.00 C ATOM 457 C ASP A 29 125.745 -5.862 5.436 1.00 0.00 C ATOM 458 O ASP A 29 126.054 -5.923 4.250 1.00 0.00 O ATOM 459 CB ASP A 29 127.475 -5.366 7.171 1.00 0.00 C ATOM 460 CG ASP A 29 128.840 -4.942 6.665 1.00 0.00 C ATOM 461 OD1 ASP A 29 129.196 -3.758 6.839 1.00 0.00 O ATOM 462 OD2 ASP A 29 129.552 -5.794 6.093 1.00 0.00 O ATOM 0 H ASP A 29 125.412 -4.458 8.189 1.00 0.00 H new ATOM 0 HA ASP A 29 126.719 -3.986 5.697 1.00 0.00 H new ATOM 0 HB2 ASP A 29 127.361 -5.051 8.208 1.00 0.00 H new ATOM 0 HB3 ASP A 29 127.408 -6.454 7.159 1.00 0.00 H new ATOM 467 N VAL A 30 124.921 -6.733 6.012 1.00 0.00 N ATOM 468 CA VAL A 30 124.326 -7.836 5.259 1.00 0.00 C ATOM 469 C VAL A 30 123.457 -7.377 4.093 1.00 0.00 C ATOM 470 O VAL A 30 123.617 -7.850 2.968 1.00 0.00 O ATOM 471 CB VAL A 30 123.446 -8.729 6.162 1.00 0.00 C ATOM 472 CG1 VAL A 30 122.260 -7.951 6.689 1.00 0.00 C ATOM 473 CG2 VAL A 30 122.970 -9.958 5.400 1.00 0.00 C ATOM 0 H VAL A 30 124.650 -6.698 6.995 1.00 0.00 H new ATOM 0 HA VAL A 30 125.179 -8.392 4.869 1.00 0.00 H new ATOM 0 HB VAL A 30 124.051 -9.056 7.008 1.00 0.00 H new ATOM 0 HG11 VAL A 30 121.653 -8.598 7.323 1.00 0.00 H new ATOM 0 HG12 VAL A 30 122.613 -7.100 7.272 1.00 0.00 H new ATOM 0 HG13 VAL A 30 121.659 -7.594 5.853 1.00 0.00 H new ATOM 0 HG21 VAL A 30 122.352 -10.574 6.053 1.00 0.00 H new ATOM 0 HG22 VAL A 30 122.385 -9.646 4.535 1.00 0.00 H new ATOM 0 HG23 VAL A 30 123.832 -10.535 5.066 1.00 0.00 H new ATOM 483 N GLU A 31 122.519 -6.485 4.365 1.00 0.00 N ATOM 484 CA GLU A 31 121.596 -6.030 3.338 1.00 0.00 C ATOM 485 C GLU A 31 122.314 -5.514 2.097 1.00 0.00 C ATOM 486 O GLU A 31 122.043 -5.958 0.982 1.00 0.00 O ATOM 487 CB GLU A 31 120.678 -4.944 3.913 1.00 0.00 C ATOM 488 CG GLU A 31 120.678 -3.645 3.126 1.00 0.00 C ATOM 489 CD GLU A 31 120.143 -3.811 1.725 1.00 0.00 C ATOM 490 OE1 GLU A 31 118.956 -4.154 1.593 1.00 0.00 O ATOM 491 OE2 GLU A 31 120.910 -3.599 0.762 1.00 0.00 O ATOM 0 H GLU A 31 122.377 -6.063 5.283 1.00 0.00 H new ATOM 0 HA GLU A 31 121.002 -6.889 3.026 1.00 0.00 H new ATOM 0 HB2 GLU A 31 119.660 -5.330 3.954 1.00 0.00 H new ATOM 0 HB3 GLU A 31 120.981 -4.734 4.939 1.00 0.00 H new ATOM 0 HG2 GLU A 31 120.077 -2.905 3.654 1.00 0.00 H new ATOM 0 HG3 GLU A 31 121.694 -3.254 3.078 1.00 0.00 H new ATOM 498 N TYR A 32 123.207 -4.570 2.286 1.00 0.00 N ATOM 499 CA TYR A 32 123.938 -3.988 1.174 1.00 0.00 C ATOM 500 C TYR A 32 124.964 -4.942 0.572 1.00 0.00 C ATOM 501 O TYR A 32 125.327 -4.806 -0.596 1.00 0.00 O ATOM 502 CB TYR A 32 124.582 -2.685 1.610 1.00 0.00 C ATOM 503 CG TYR A 32 123.577 -1.566 1.721 1.00 0.00 C ATOM 504 CD1 TYR A 32 123.243 -0.795 0.613 1.00 0.00 C ATOM 505 CD2 TYR A 32 122.955 -1.278 2.932 1.00 0.00 C ATOM 506 CE1 TYR A 32 122.322 0.226 0.710 1.00 0.00 C ATOM 507 CE2 TYR A 32 122.033 -0.253 3.028 1.00 0.00 C ATOM 508 CZ TYR A 32 121.721 0.493 1.917 1.00 0.00 C ATOM 509 OH TYR A 32 120.802 1.510 2.012 1.00 0.00 O ATOM 0 H TYR A 32 123.448 -4.185 3.199 1.00 0.00 H new ATOM 0 HA TYR A 32 123.220 -3.785 0.379 1.00 0.00 H new ATOM 0 HB2 TYR A 32 125.073 -2.828 2.573 1.00 0.00 H new ATOM 0 HB3 TYR A 32 125.357 -2.407 0.895 1.00 0.00 H new ATOM 0 HD1 TYR A 32 123.712 -0.999 -0.338 1.00 0.00 H new ATOM 0 HD2 TYR A 32 123.196 -1.863 3.808 1.00 0.00 H new ATOM 0 HE1 TYR A 32 122.073 0.815 -0.160 1.00 0.00 H new ATOM 0 HE2 TYR A 32 121.559 -0.039 3.974 1.00 0.00 H new ATOM 0 HH TYR A 32 121.159 2.314 1.581 1.00 0.00 H new ATOM 519 N GLN A 33 125.442 -5.899 1.362 1.00 0.00 N ATOM 520 CA GLN A 33 126.436 -6.843 0.864 1.00 0.00 C ATOM 521 C GLN A 33 125.820 -7.783 -0.165 1.00 0.00 C ATOM 522 O GLN A 33 126.499 -8.252 -1.077 1.00 0.00 O ATOM 523 CB GLN A 33 127.059 -7.631 2.015 1.00 0.00 C ATOM 524 CG GLN A 33 126.268 -8.866 2.412 1.00 0.00 C ATOM 525 CD GLN A 33 126.861 -10.142 1.850 1.00 0.00 C ATOM 526 OE1 GLN A 33 127.375 -10.162 0.731 1.00 0.00 O ATOM 527 NE2 GLN A 33 126.792 -11.218 2.625 1.00 0.00 N ATOM 0 H GLN A 33 125.163 -6.040 2.333 1.00 0.00 H new ATOM 0 HA GLN A 33 127.228 -6.276 0.374 1.00 0.00 H new ATOM 0 HB2 GLN A 33 128.068 -7.932 1.732 1.00 0.00 H new ATOM 0 HB3 GLN A 33 127.153 -6.977 2.882 1.00 0.00 H new ATOM 0 HG2 GLN A 33 126.230 -8.935 3.499 1.00 0.00 H new ATOM 0 HG3 GLN A 33 125.240 -8.763 2.063 1.00 0.00 H new ATOM 0 HE21 GLN A 33 126.357 -11.156 3.546 1.00 0.00 H new ATOM 0 HE22 GLN A 33 127.174 -12.106 2.300 1.00 0.00 H new ATOM 536 N PHE A 34 124.526 -8.043 -0.020 1.00 0.00 N ATOM 537 CA PHE A 34 123.816 -8.916 -0.945 1.00 0.00 C ATOM 538 C PHE A 34 123.947 -8.392 -2.370 1.00 0.00 C ATOM 539 O PHE A 34 124.039 -9.164 -3.324 1.00 0.00 O ATOM 540 CB PHE A 34 122.341 -9.011 -0.559 1.00 0.00 C ATOM 541 CG PHE A 34 121.552 -9.946 -1.430 1.00 0.00 C ATOM 542 CD1 PHE A 34 121.247 -9.604 -2.738 1.00 0.00 C ATOM 543 CD2 PHE A 34 121.117 -11.168 -0.941 1.00 0.00 C ATOM 544 CE1 PHE A 34 120.521 -10.462 -3.542 1.00 0.00 C ATOM 545 CE2 PHE A 34 120.390 -12.030 -1.742 1.00 0.00 C ATOM 546 CZ PHE A 34 120.093 -11.677 -3.043 1.00 0.00 C ATOM 0 H PHE A 34 123.948 -7.662 0.729 1.00 0.00 H new ATOM 0 HA PHE A 34 124.259 -9.911 -0.892 1.00 0.00 H new ATOM 0 HB2 PHE A 34 122.265 -9.342 0.477 1.00 0.00 H new ATOM 0 HB3 PHE A 34 121.896 -8.017 -0.610 1.00 0.00 H new ATOM 0 HD1 PHE A 34 121.581 -8.656 -3.133 1.00 0.00 H new ATOM 0 HD2 PHE A 34 121.348 -11.450 0.076 1.00 0.00 H new ATOM 0 HE1 PHE A 34 120.289 -10.183 -4.559 1.00 0.00 H new ATOM 0 HE2 PHE A 34 120.055 -12.979 -1.350 1.00 0.00 H new ATOM 0 HZ PHE A 34 119.527 -12.350 -3.670 1.00 0.00 H new ATOM 556 N LEU A 35 123.958 -7.069 -2.505 1.00 0.00 N ATOM 557 CA LEU A 35 124.082 -6.433 -3.812 1.00 0.00 C ATOM 558 C LEU A 35 125.371 -6.867 -4.502 1.00 0.00 C ATOM 559 O LEU A 35 125.412 -7.020 -5.723 1.00 0.00 O ATOM 560 CB LEU A 35 124.063 -4.909 -3.668 1.00 0.00 C ATOM 561 CG LEU A 35 122.850 -4.336 -2.933 1.00 0.00 C ATOM 562 CD1 LEU A 35 123.200 -3.006 -2.283 1.00 0.00 C ATOM 563 CD2 LEU A 35 121.680 -4.173 -3.889 1.00 0.00 C ATOM 0 H LEU A 35 123.882 -6.417 -1.725 1.00 0.00 H new ATOM 0 HA LEU A 35 123.234 -6.745 -4.422 1.00 0.00 H new ATOM 0 HB2 LEU A 35 124.966 -4.599 -3.141 1.00 0.00 H new ATOM 0 HB3 LEU A 35 124.107 -4.466 -4.663 1.00 0.00 H new ATOM 0 HG LEU A 35 122.559 -5.034 -2.148 1.00 0.00 H new ATOM 0 HD11 LEU A 35 122.325 -2.613 -1.765 1.00 0.00 H new ATOM 0 HD12 LEU A 35 124.010 -3.152 -1.568 1.00 0.00 H new ATOM 0 HD13 LEU A 35 123.516 -2.298 -3.050 1.00 0.00 H new ATOM 0 HD21 LEU A 35 120.825 -3.764 -3.351 1.00 0.00 H new ATOM 0 HD22 LEU A 35 121.960 -3.494 -4.694 1.00 0.00 H new ATOM 0 HD23 LEU A 35 121.415 -5.144 -4.308 1.00 0.00 H new ATOM 575 N ALA A 36 126.421 -7.064 -3.711 1.00 0.00 N ATOM 576 CA ALA A 36 127.712 -7.480 -4.244 1.00 0.00 C ATOM 577 C ALA A 36 127.615 -8.848 -4.911 1.00 0.00 C ATOM 578 O ALA A 36 128.152 -9.057 -5.998 1.00 0.00 O ATOM 579 CB ALA A 36 128.755 -7.503 -3.137 1.00 0.00 C ATOM 0 H ALA A 36 126.402 -6.942 -2.698 1.00 0.00 H new ATOM 0 HA ALA A 36 128.016 -6.757 -5.001 1.00 0.00 H new ATOM 0 HB1 ALA A 36 129.715 -7.815 -3.548 1.00 0.00 H new ATOM 0 HB2 ALA A 36 128.851 -6.506 -2.707 1.00 0.00 H new ATOM 0 HB3 ALA A 36 128.447 -8.204 -2.361 1.00 0.00 H new ATOM 585 N GLU A 37 126.923 -9.774 -4.255 1.00 0.00 N ATOM 586 CA GLU A 37 126.755 -11.120 -4.789 1.00 0.00 C ATOM 587 C GLU A 37 126.254 -11.071 -6.228 1.00 0.00 C ATOM 588 O GLU A 37 126.690 -11.851 -7.075 1.00 0.00 O ATOM 589 CB GLU A 37 125.778 -11.917 -3.922 1.00 0.00 C ATOM 590 CG GLU A 37 126.420 -12.530 -2.688 1.00 0.00 C ATOM 591 CD GLU A 37 125.508 -12.492 -1.476 1.00 0.00 C ATOM 592 OE1 GLU A 37 124.397 -11.932 -1.587 1.00 0.00 O ATOM 593 OE2 GLU A 37 125.907 -13.020 -0.417 1.00 0.00 O ATOM 0 H GLU A 37 126.470 -9.617 -3.354 1.00 0.00 H new ATOM 0 HA GLU A 37 127.726 -11.615 -4.776 1.00 0.00 H new ATOM 0 HB2 GLU A 37 124.964 -11.262 -3.611 1.00 0.00 H new ATOM 0 HB3 GLU A 37 125.336 -12.711 -4.524 1.00 0.00 H new ATOM 0 HG2 GLU A 37 126.693 -13.564 -2.900 1.00 0.00 H new ATOM 0 HG3 GLU A 37 127.343 -11.997 -2.460 1.00 0.00 H new ATOM 600 N GLN A 38 125.337 -10.148 -6.496 1.00 0.00 N ATOM 601 CA GLN A 38 124.776 -9.992 -7.832 1.00 0.00 C ATOM 602 C GLN A 38 124.980 -8.569 -8.341 1.00 0.00 C ATOM 603 O GLN A 38 124.104 -7.716 -8.196 1.00 0.00 O ATOM 604 CB GLN A 38 123.284 -10.336 -7.827 1.00 0.00 C ATOM 605 CG GLN A 38 122.978 -11.722 -8.367 1.00 0.00 C ATOM 606 CD GLN A 38 121.498 -11.934 -8.622 1.00 0.00 C ATOM 607 OE1 GLN A 38 120.716 -12.122 -7.689 1.00 0.00 O ATOM 608 NE2 GLN A 38 121.105 -11.905 -9.890 1.00 0.00 N ATOM 0 H GLN A 38 124.966 -9.496 -5.805 1.00 0.00 H new ATOM 0 HA GLN A 38 125.296 -10.678 -8.501 1.00 0.00 H new ATOM 0 HB2 GLN A 38 122.906 -10.261 -6.808 1.00 0.00 H new ATOM 0 HB3 GLN A 38 122.747 -9.597 -8.422 1.00 0.00 H new ATOM 0 HG2 GLN A 38 123.529 -11.876 -9.295 1.00 0.00 H new ATOM 0 HG3 GLN A 38 123.332 -12.471 -7.658 1.00 0.00 H new ATOM 0 HE21 GLN A 38 121.787 -11.746 -10.632 1.00 0.00 H new ATOM 0 HE22 GLN A 38 120.121 -12.042 -10.122 1.00 0.00 H new ATOM 617 N ASP A 39 126.142 -8.320 -8.936 1.00 0.00 N ATOM 618 CA ASP A 39 126.465 -6.999 -9.465 1.00 0.00 C ATOM 619 C ASP A 39 125.224 -6.323 -10.038 1.00 0.00 C ATOM 620 O ASP A 39 124.671 -6.768 -11.043 1.00 0.00 O ATOM 621 CB ASP A 39 127.543 -7.110 -10.545 1.00 0.00 C ATOM 622 CG ASP A 39 127.559 -8.473 -11.209 1.00 0.00 C ATOM 623 OD1 ASP A 39 126.473 -9.070 -11.364 1.00 0.00 O ATOM 624 OD2 ASP A 39 128.658 -8.943 -11.573 1.00 0.00 O ATOM 0 H ASP A 39 126.876 -9.016 -9.064 1.00 0.00 H new ATOM 0 HA ASP A 39 126.842 -6.389 -8.644 1.00 0.00 H new ATOM 0 HB2 ASP A 39 127.376 -6.343 -11.301 1.00 0.00 H new ATOM 0 HB3 ASP A 39 128.519 -6.914 -10.102 1.00 0.00 H new ATOM 629 N VAL A 40 124.793 -5.245 -9.392 1.00 0.00 N ATOM 630 CA VAL A 40 123.619 -4.507 -9.838 1.00 0.00 C ATOM 631 C VAL A 40 123.867 -3.850 -11.191 1.00 0.00 C ATOM 632 O VAL A 40 123.090 -4.022 -12.129 1.00 0.00 O ATOM 633 CB VAL A 40 123.214 -3.425 -8.818 1.00 0.00 C ATOM 634 CG1 VAL A 40 122.038 -2.612 -9.336 1.00 0.00 C ATOM 635 CG2 VAL A 40 122.882 -4.056 -7.474 1.00 0.00 C ATOM 0 H VAL A 40 125.240 -4.864 -8.558 1.00 0.00 H new ATOM 0 HA VAL A 40 122.807 -5.228 -9.931 1.00 0.00 H new ATOM 0 HB VAL A 40 124.059 -2.750 -8.680 1.00 0.00 H new ATOM 0 HG11 VAL A 40 121.768 -1.854 -8.601 1.00 0.00 H new ATOM 0 HG12 VAL A 40 122.315 -2.127 -10.272 1.00 0.00 H new ATOM 0 HG13 VAL A 40 121.187 -3.271 -9.507 1.00 0.00 H new ATOM 0 HG21 VAL A 40 122.598 -3.277 -6.766 1.00 0.00 H new ATOM 0 HG22 VAL A 40 122.055 -4.755 -7.595 1.00 0.00 H new ATOM 0 HG23 VAL A 40 123.755 -4.589 -7.097 1.00 0.00 H new ATOM 645 N LYS A 41 124.958 -3.095 -11.285 1.00 0.00 N ATOM 646 CA LYS A 41 125.310 -2.412 -12.525 1.00 0.00 C ATOM 647 C LYS A 41 126.808 -2.132 -12.588 1.00 0.00 C ATOM 648 O LYS A 41 127.256 -1.265 -13.339 1.00 0.00 O ATOM 649 CB LYS A 41 124.532 -1.103 -12.646 1.00 0.00 C ATOM 650 CG LYS A 41 124.597 -0.482 -14.032 1.00 0.00 C ATOM 651 CD LYS A 41 124.567 1.035 -13.965 1.00 0.00 C ATOM 652 CE LYS A 41 123.663 1.525 -12.846 1.00 0.00 C ATOM 653 NZ LYS A 41 123.334 2.970 -12.988 1.00 0.00 N ATOM 0 H LYS A 41 125.613 -2.941 -10.518 1.00 0.00 H new ATOM 0 HA LYS A 41 125.046 -3.065 -13.357 1.00 0.00 H new ATOM 0 HB2 LYS A 41 123.489 -1.285 -12.387 1.00 0.00 H new ATOM 0 HB3 LYS A 41 124.921 -0.390 -11.919 1.00 0.00 H new ATOM 0 HG2 LYS A 41 125.508 -0.807 -14.535 1.00 0.00 H new ATOM 0 HG3 LYS A 41 123.758 -0.837 -14.631 1.00 0.00 H new ATOM 0 HD2 LYS A 41 125.577 1.413 -13.810 1.00 0.00 H new ATOM 0 HD3 LYS A 41 124.219 1.436 -14.917 1.00 0.00 H new ATOM 0 HE2 LYS A 41 122.742 0.942 -12.842 1.00 0.00 H new ATOM 0 HE3 LYS A 41 124.151 1.357 -11.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 122.716 3.264 -12.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 124.210 3.529 -12.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 122.846 3.128 -13.893 1.00 0.00 H new ATOM 667 N ASP A 42 127.578 -2.868 -11.795 1.00 0.00 N ATOM 668 CA ASP A 42 129.026 -2.696 -11.761 1.00 0.00 C ATOM 669 C ASP A 42 129.396 -1.339 -11.171 1.00 0.00 C ATOM 670 O ASP A 42 130.426 -0.760 -11.518 1.00 0.00 O ATOM 671 CB ASP A 42 129.610 -2.830 -13.168 1.00 0.00 C ATOM 672 CG ASP A 42 131.108 -3.059 -13.153 1.00 0.00 C ATOM 673 OD1 ASP A 42 131.699 -3.052 -12.053 1.00 0.00 O ATOM 674 OD2 ASP A 42 131.692 -3.246 -14.242 1.00 0.00 O ATOM 0 H ASP A 42 127.224 -3.590 -11.167 1.00 0.00 H new ATOM 0 HA ASP A 42 129.446 -3.476 -11.126 1.00 0.00 H new ATOM 0 HB2 ASP A 42 129.124 -3.659 -13.683 1.00 0.00 H new ATOM 0 HB3 ASP A 42 129.389 -1.927 -13.738 1.00 0.00 H new ATOM 679 N VAL A 43 128.549 -0.838 -10.279 1.00 0.00 N ATOM 680 CA VAL A 43 128.783 0.451 -9.641 1.00 0.00 C ATOM 681 C VAL A 43 129.054 0.285 -8.149 1.00 0.00 C ATOM 682 O VAL A 43 129.142 -0.834 -7.644 1.00 0.00 O ATOM 683 CB VAL A 43 127.582 1.396 -9.828 1.00 0.00 C ATOM 684 CG1 VAL A 43 127.577 1.980 -11.233 1.00 0.00 C ATOM 685 CG2 VAL A 43 126.280 0.666 -9.541 1.00 0.00 C ATOM 0 H VAL A 43 127.693 -1.306 -9.981 1.00 0.00 H new ATOM 0 HA VAL A 43 129.659 0.887 -10.122 1.00 0.00 H new ATOM 0 HB VAL A 43 127.674 2.218 -9.118 1.00 0.00 H new ATOM 0 HG11 VAL A 43 126.721 2.645 -11.347 1.00 0.00 H new ATOM 0 HG12 VAL A 43 128.497 2.541 -11.397 1.00 0.00 H new ATOM 0 HG13 VAL A 43 127.509 1.173 -11.962 1.00 0.00 H new ATOM 0 HG21 VAL A 43 125.442 1.349 -9.678 1.00 0.00 H new ATOM 0 HG22 VAL A 43 126.177 -0.177 -10.225 1.00 0.00 H new ATOM 0 HG23 VAL A 43 126.286 0.301 -8.514 1.00 0.00 H new ATOM 695 N ASP A 44 129.181 1.407 -7.449 1.00 0.00 N ATOM 696 CA ASP A 44 129.439 1.387 -6.014 1.00 0.00 C ATOM 697 C ASP A 44 128.185 1.765 -5.232 1.00 0.00 C ATOM 698 O ASP A 44 127.458 2.682 -5.613 1.00 0.00 O ATOM 699 CB ASP A 44 130.580 2.346 -5.665 1.00 0.00 C ATOM 700 CG ASP A 44 130.388 3.719 -6.277 1.00 0.00 C ATOM 701 OD1 ASP A 44 129.228 4.175 -6.362 1.00 0.00 O ATOM 702 OD2 ASP A 44 131.397 4.339 -6.673 1.00 0.00 O ATOM 0 H ASP A 44 129.110 2.341 -7.852 1.00 0.00 H new ATOM 0 HA ASP A 44 129.728 0.374 -5.736 1.00 0.00 H new ATOM 0 HB2 ASP A 44 130.653 2.441 -4.582 1.00 0.00 H new ATOM 0 HB3 ASP A 44 131.524 1.925 -6.012 1.00 0.00 H new ATOM 707 N VAL A 45 127.939 1.052 -4.138 1.00 0.00 N ATOM 708 CA VAL A 45 126.771 1.312 -3.305 1.00 0.00 C ATOM 709 C VAL A 45 127.162 1.465 -1.841 1.00 0.00 C ATOM 710 O VAL A 45 126.306 1.449 -0.956 1.00 0.00 O ATOM 711 CB VAL A 45 125.736 0.183 -3.417 1.00 0.00 C ATOM 712 CG1 VAL A 45 124.391 0.730 -3.867 1.00 0.00 C ATOM 713 CG2 VAL A 45 126.226 -0.901 -4.364 1.00 0.00 C ATOM 0 H VAL A 45 128.532 0.291 -3.808 1.00 0.00 H new ATOM 0 HA VAL A 45 126.332 2.242 -3.667 1.00 0.00 H new ATOM 0 HB VAL A 45 125.606 -0.262 -2.431 1.00 0.00 H new ATOM 0 HG11 VAL A 45 123.672 -0.086 -3.940 1.00 0.00 H new ATOM 0 HG12 VAL A 45 124.036 1.463 -3.143 1.00 0.00 H new ATOM 0 HG13 VAL A 45 124.499 1.206 -4.842 1.00 0.00 H new ATOM 0 HG21 VAL A 45 125.479 -1.692 -4.430 1.00 0.00 H new ATOM 0 HG22 VAL A 45 126.390 -0.473 -5.353 1.00 0.00 H new ATOM 0 HG23 VAL A 45 127.161 -1.316 -3.989 1.00 0.00 H new ATOM 723 N LEU A 46 128.455 1.614 -1.590 1.00 0.00 N ATOM 724 CA LEU A 46 128.949 1.764 -0.229 1.00 0.00 C ATOM 725 C LEU A 46 128.256 2.931 0.459 1.00 0.00 C ATOM 726 O LEU A 46 127.864 2.835 1.622 1.00 0.00 O ATOM 727 CB LEU A 46 130.465 1.981 -0.230 1.00 0.00 C ATOM 728 CG LEU A 46 131.300 0.712 -0.058 1.00 0.00 C ATOM 729 CD1 LEU A 46 131.307 0.270 1.397 1.00 0.00 C ATOM 730 CD2 LEU A 46 130.770 -0.399 -0.952 1.00 0.00 C ATOM 0 H LEU A 46 129.179 1.634 -2.309 1.00 0.00 H new ATOM 0 HA LEU A 46 128.727 0.849 0.320 1.00 0.00 H new ATOM 0 HB2 LEU A 46 130.748 2.459 -1.168 1.00 0.00 H new ATOM 0 HB3 LEU A 46 130.718 2.676 0.571 1.00 0.00 H new ATOM 0 HG LEU A 46 132.326 0.932 -0.354 1.00 0.00 H new ATOM 0 HD11 LEU A 46 131.906 -0.635 1.500 1.00 0.00 H new ATOM 0 HD12 LEU A 46 131.734 1.060 2.015 1.00 0.00 H new ATOM 0 HD13 LEU A 46 130.286 0.067 1.721 1.00 0.00 H new ATOM 0 HD21 LEU A 46 131.376 -1.295 -0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 46 129.736 -0.617 -0.687 1.00 0.00 H new ATOM 0 HD23 LEU A 46 130.818 -0.082 -1.994 1.00 0.00 H new ATOM 742 N TYR A 47 128.085 4.026 -0.272 1.00 0.00 N ATOM 743 CA TYR A 47 127.415 5.197 0.270 1.00 0.00 C ATOM 744 C TYR A 47 125.986 4.844 0.663 1.00 0.00 C ATOM 745 O TYR A 47 125.495 5.262 1.713 1.00 0.00 O ATOM 746 CB TYR A 47 127.413 6.334 -0.753 1.00 0.00 C ATOM 747 CG TYR A 47 126.970 7.662 -0.182 1.00 0.00 C ATOM 748 CD1 TYR A 47 127.890 8.536 0.386 1.00 0.00 C ATOM 749 CD2 TYR A 47 125.635 8.043 -0.210 1.00 0.00 C ATOM 750 CE1 TYR A 47 127.489 9.751 0.911 1.00 0.00 C ATOM 751 CE2 TYR A 47 125.227 9.255 0.312 1.00 0.00 C ATOM 752 CZ TYR A 47 126.158 10.105 0.870 1.00 0.00 C ATOM 753 OH TYR A 47 125.756 11.314 1.391 1.00 0.00 O ATOM 0 H TYR A 47 128.400 4.126 -1.237 1.00 0.00 H new ATOM 0 HA TYR A 47 127.956 5.529 1.156 1.00 0.00 H new ATOM 0 HB2 TYR A 47 128.416 6.442 -1.166 1.00 0.00 H new ATOM 0 HB3 TYR A 47 126.755 6.066 -1.580 1.00 0.00 H new ATOM 0 HD1 TYR A 47 128.934 8.262 0.418 1.00 0.00 H new ATOM 0 HD2 TYR A 47 124.903 7.380 -0.647 1.00 0.00 H new ATOM 0 HE1 TYR A 47 128.215 10.419 1.351 1.00 0.00 H new ATOM 0 HE2 TYR A 47 124.184 9.535 0.283 1.00 0.00 H new ATOM 0 HH TYR A 47 124.787 11.411 1.282 1.00 0.00 H new ATOM 763 N PHE A 48 125.328 4.054 -0.182 1.00 0.00 N ATOM 764 CA PHE A 48 123.960 3.628 0.079 1.00 0.00 C ATOM 765 C PHE A 48 123.897 2.780 1.343 1.00 0.00 C ATOM 766 O PHE A 48 122.887 2.767 2.041 1.00 0.00 O ATOM 767 CB PHE A 48 123.379 2.849 -1.111 1.00 0.00 C ATOM 768 CG PHE A 48 121.938 3.188 -1.386 1.00 0.00 C ATOM 769 CD1 PHE A 48 121.512 4.505 -1.329 1.00 0.00 C ATOM 770 CD2 PHE A 48 121.006 2.199 -1.687 1.00 0.00 C ATOM 771 CE1 PHE A 48 120.192 4.836 -1.569 1.00 0.00 C ATOM 772 CE2 PHE A 48 119.686 2.529 -1.925 1.00 0.00 C ATOM 773 CZ PHE A 48 119.279 3.846 -1.866 1.00 0.00 C ATOM 0 H PHE A 48 125.722 3.697 -1.053 1.00 0.00 H new ATOM 0 HA PHE A 48 123.356 4.524 0.223 1.00 0.00 H new ATOM 0 HB2 PHE A 48 123.973 3.059 -2.001 1.00 0.00 H new ATOM 0 HB3 PHE A 48 123.465 1.780 -0.916 1.00 0.00 H new ATOM 0 HD1 PHE A 48 122.222 5.284 -1.094 1.00 0.00 H new ATOM 0 HD2 PHE A 48 121.317 1.166 -1.735 1.00 0.00 H new ATOM 0 HE1 PHE A 48 119.876 5.868 -1.524 1.00 0.00 H new ATOM 0 HE2 PHE A 48 118.971 1.754 -2.158 1.00 0.00 H new ATOM 0 HZ PHE A 48 118.246 4.101 -2.052 1.00 0.00 H new ATOM 783 N ARG A 49 124.979 2.056 1.620 1.00 0.00 N ATOM 784 CA ARG A 49 125.028 1.185 2.788 1.00 0.00 C ATOM 785 C ARG A 49 124.727 1.944 4.079 1.00 0.00 C ATOM 786 O ARG A 49 124.131 1.394 5.006 1.00 0.00 O ATOM 787 CB ARG A 49 126.393 0.491 2.887 1.00 0.00 C ATOM 788 CG ARG A 49 126.329 -0.899 3.509 1.00 0.00 C ATOM 789 CD ARG A 49 127.178 -1.905 2.738 1.00 0.00 C ATOM 790 NE ARG A 49 128.607 -1.653 2.903 1.00 0.00 N ATOM 791 CZ ARG A 49 129.541 -2.586 2.758 1.00 0.00 C ATOM 792 NH1 ARG A 49 129.197 -3.828 2.446 1.00 0.00 N ATOM 793 NH2 ARG A 49 130.820 -2.279 2.925 1.00 0.00 N ATOM 0 H ARG A 49 125.828 2.056 1.055 1.00 0.00 H new ATOM 0 HA ARG A 49 124.253 0.430 2.660 1.00 0.00 H new ATOM 0 HB2 ARG A 49 126.825 0.413 1.889 1.00 0.00 H new ATOM 0 HB3 ARG A 49 127.065 1.113 3.478 1.00 0.00 H new ATOM 0 HG2 ARG A 49 126.672 -0.851 4.543 1.00 0.00 H new ATOM 0 HG3 ARG A 49 125.294 -1.239 3.532 1.00 0.00 H new ATOM 0 HD2 ARG A 49 126.946 -2.913 3.080 1.00 0.00 H new ATOM 0 HD3 ARG A 49 126.922 -1.860 1.680 1.00 0.00 H new ATOM 0 HE ARG A 49 128.904 -0.707 3.143 1.00 0.00 H new ATOM 0 HH11 ARG A 49 128.214 -4.068 2.317 1.00 0.00 H new ATOM 0 HH12 ARG A 49 129.915 -4.544 2.335 1.00 0.00 H new ATOM 0 HH21 ARG A 49 131.088 -1.325 3.165 1.00 0.00 H new ATOM 0 HH22 ARG A 49 131.536 -2.997 2.813 1.00 0.00 H new ATOM 807 N GLU A 50 125.125 3.207 4.134 1.00 0.00 N ATOM 808 CA GLU A 50 124.890 4.031 5.316 1.00 0.00 C ATOM 809 C GLU A 50 123.399 4.134 5.635 1.00 0.00 C ATOM 810 O GLU A 50 123.012 4.305 6.792 1.00 0.00 O ATOM 811 CB GLU A 50 125.474 5.429 5.111 1.00 0.00 C ATOM 812 CG GLU A 50 126.932 5.423 4.683 1.00 0.00 C ATOM 813 CD GLU A 50 127.882 5.611 5.849 1.00 0.00 C ATOM 814 OE1 GLU A 50 127.464 5.372 7.001 1.00 0.00 O ATOM 815 OE2 GLU A 50 129.046 5.997 5.610 1.00 0.00 O ATOM 0 H GLU A 50 125.612 3.685 3.376 1.00 0.00 H new ATOM 0 HA GLU A 50 125.387 3.552 6.160 1.00 0.00 H new ATOM 0 HB2 GLU A 50 124.885 5.953 4.358 1.00 0.00 H new ATOM 0 HB3 GLU A 50 125.379 5.993 6.039 1.00 0.00 H new ATOM 0 HG2 GLU A 50 127.157 4.480 4.184 1.00 0.00 H new ATOM 0 HG3 GLU A 50 127.096 6.216 3.954 1.00 0.00 H new ATOM 822 N LEU A 51 122.570 4.056 4.602 1.00 0.00 N ATOM 823 CA LEU A 51 121.121 4.170 4.759 1.00 0.00 C ATOM 824 C LEU A 51 120.539 3.119 5.707 1.00 0.00 C ATOM 825 O LEU A 51 119.629 3.423 6.479 1.00 0.00 O ATOM 826 CB LEU A 51 120.437 4.062 3.398 1.00 0.00 C ATOM 827 CG LEU A 51 120.214 5.390 2.678 1.00 0.00 C ATOM 828 CD1 LEU A 51 120.491 5.237 1.190 1.00 0.00 C ATOM 829 CD2 LEU A 51 118.796 5.891 2.912 1.00 0.00 C ATOM 0 H LEU A 51 122.876 3.913 3.640 1.00 0.00 H new ATOM 0 HA LEU A 51 120.930 5.147 5.203 1.00 0.00 H new ATOM 0 HB2 LEU A 51 121.037 3.415 2.758 1.00 0.00 H new ATOM 0 HB3 LEU A 51 119.472 3.572 3.531 1.00 0.00 H new ATOM 0 HG LEU A 51 120.908 6.127 3.083 1.00 0.00 H new ATOM 0 HD11 LEU A 51 120.328 6.191 0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 51 121.524 4.922 1.043 1.00 0.00 H new ATOM 0 HD13 LEU A 51 119.820 4.488 0.770 1.00 0.00 H new ATOM 0 HD21 LEU A 51 118.654 6.838 2.392 1.00 0.00 H new ATOM 0 HD22 LEU A 51 118.084 5.158 2.532 1.00 0.00 H new ATOM 0 HD23 LEU A 51 118.633 6.036 3.980 1.00 0.00 H new ATOM 841 N LEU A 52 121.037 1.886 5.648 1.00 0.00 N ATOM 842 CA LEU A 52 120.512 0.831 6.515 1.00 0.00 C ATOM 843 C LEU A 52 120.625 1.229 7.981 1.00 0.00 C ATOM 844 O LEU A 52 119.785 0.857 8.801 1.00 0.00 O ATOM 845 CB LEU A 52 121.240 -0.496 6.283 1.00 0.00 C ATOM 846 CG LEU A 52 120.543 -1.482 5.334 1.00 0.00 C ATOM 847 CD1 LEU A 52 119.989 -2.677 6.089 1.00 0.00 C ATOM 848 CD2 LEU A 52 119.436 -0.800 4.545 1.00 0.00 C ATOM 0 H LEU A 52 121.788 1.595 5.023 1.00 0.00 H new ATOM 0 HA LEU A 52 119.460 0.697 6.262 1.00 0.00 H new ATOM 0 HB2 LEU A 52 122.233 -0.280 5.888 1.00 0.00 H new ATOM 0 HB3 LEU A 52 121.380 -0.986 7.247 1.00 0.00 H new ATOM 0 HG LEU A 52 121.296 -1.839 4.631 1.00 0.00 H new ATOM 0 HD11 LEU A 52 119.502 -3.356 5.389 1.00 0.00 H new ATOM 0 HD12 LEU A 52 120.803 -3.198 6.593 1.00 0.00 H new ATOM 0 HD13 LEU A 52 119.264 -2.336 6.828 1.00 0.00 H new ATOM 0 HD21 LEU A 52 118.962 -1.524 3.882 1.00 0.00 H new ATOM 0 HD22 LEU A 52 118.693 -0.398 5.234 1.00 0.00 H new ATOM 0 HD23 LEU A 52 119.858 0.012 3.952 1.00 0.00 H new ATOM 860 N ALA A 53 121.662 1.991 8.306 1.00 0.00 N ATOM 861 CA ALA A 53 121.869 2.434 9.677 1.00 0.00 C ATOM 862 C ALA A 53 120.659 3.212 10.175 1.00 0.00 C ATOM 863 O ALA A 53 120.261 3.086 11.333 1.00 0.00 O ATOM 864 CB ALA A 53 123.126 3.285 9.773 1.00 0.00 C ATOM 0 H ALA A 53 122.368 2.313 7.643 1.00 0.00 H new ATOM 0 HA ALA A 53 121.996 1.555 10.310 1.00 0.00 H new ATOM 0 HB1 ALA A 53 123.268 3.609 10.804 1.00 0.00 H new ATOM 0 HB2 ALA A 53 123.988 2.698 9.455 1.00 0.00 H new ATOM 0 HB3 ALA A 53 123.024 4.158 9.129 1.00 0.00 H new ATOM 870 N GLY A 54 120.068 4.004 9.288 1.00 0.00 N ATOM 871 CA GLY A 54 118.903 4.783 9.659 1.00 0.00 C ATOM 872 C GLY A 54 117.770 3.908 10.144 1.00 0.00 C ATOM 873 O GLY A 54 117.095 4.239 11.119 1.00 0.00 O ATOM 0 H GLY A 54 120.374 4.120 8.322 1.00 0.00 H new ATOM 0 HA2 GLY A 54 119.175 5.492 10.441 1.00 0.00 H new ATOM 0 HA3 GLY A 54 118.569 5.367 8.802 1.00 0.00 H new ATOM 877 N VAL A 55 117.573 2.776 9.480 1.00 0.00 N ATOM 878 CA VAL A 55 116.527 1.845 9.869 1.00 0.00 C ATOM 879 C VAL A 55 116.865 1.216 11.210 1.00 0.00 C ATOM 880 O VAL A 55 115.986 0.926 12.021 1.00 0.00 O ATOM 881 CB VAL A 55 116.333 0.736 8.820 1.00 0.00 C ATOM 882 CG1 VAL A 55 115.013 0.013 9.043 1.00 0.00 C ATOM 883 CG2 VAL A 55 116.402 1.312 7.413 1.00 0.00 C ATOM 0 H VAL A 55 118.123 2.483 8.672 1.00 0.00 H new ATOM 0 HA VAL A 55 115.597 2.408 9.945 1.00 0.00 H new ATOM 0 HB VAL A 55 117.140 0.012 8.932 1.00 0.00 H new ATOM 0 HG11 VAL A 55 114.894 -0.767 8.291 1.00 0.00 H new ATOM 0 HG12 VAL A 55 115.007 -0.436 10.036 1.00 0.00 H new ATOM 0 HG13 VAL A 55 114.191 0.724 8.961 1.00 0.00 H new ATOM 0 HG21 VAL A 55 116.263 0.513 6.685 1.00 0.00 H new ATOM 0 HG22 VAL A 55 115.618 2.058 7.287 1.00 0.00 H new ATOM 0 HG23 VAL A 55 117.375 1.778 7.258 1.00 0.00 H new ATOM 893 N ALA A 56 118.158 1.011 11.427 1.00 0.00 N ATOM 894 CA ALA A 56 118.650 0.418 12.659 1.00 0.00 C ATOM 895 C ALA A 56 118.516 1.383 13.831 1.00 0.00 C ATOM 896 O ALA A 56 118.514 0.969 14.991 1.00 0.00 O ATOM 897 CB ALA A 56 120.095 -0.006 12.475 1.00 0.00 C ATOM 0 H ALA A 56 118.889 1.250 10.757 1.00 0.00 H new ATOM 0 HA ALA A 56 118.045 -0.459 12.889 1.00 0.00 H new ATOM 0 HB1 ALA A 56 120.464 -0.451 13.399 1.00 0.00 H new ATOM 0 HB2 ALA A 56 120.160 -0.737 11.669 1.00 0.00 H new ATOM 0 HB3 ALA A 56 120.701 0.865 12.224 1.00 0.00 H new ATOM 903 N THR A 57 118.407 2.672 13.525 1.00 0.00 N ATOM 904 CA THR A 57 118.278 3.693 14.558 1.00 0.00 C ATOM 905 C THR A 57 117.116 4.630 14.251 1.00 0.00 C ATOM 906 O THR A 57 117.035 5.733 14.789 1.00 0.00 O ATOM 907 CB THR A 57 119.575 4.495 14.679 1.00 0.00 C ATOM 908 OG1 THR A 57 120.010 4.941 13.406 1.00 0.00 O ATOM 909 CG2 THR A 57 120.709 3.707 15.300 1.00 0.00 C ATOM 0 H THR A 57 118.405 3.034 12.571 1.00 0.00 H new ATOM 0 HA THR A 57 118.080 3.192 15.506 1.00 0.00 H new ATOM 0 HB THR A 57 119.336 5.335 15.331 1.00 0.00 H new ATOM 0 HG1 THR A 57 120.187 4.167 12.831 1.00 0.00 H new ATOM 0 HG21 THR A 57 121.599 4.334 15.357 1.00 0.00 H new ATOM 0 HG22 THR A 57 120.425 3.389 16.303 1.00 0.00 H new ATOM 0 HG23 THR A 57 120.921 2.830 14.688 1.00 0.00 H new ATOM 917 N ASN A 58 116.218 4.180 13.382 1.00 0.00 N ATOM 918 CA ASN A 58 115.059 4.975 13.002 1.00 0.00 C ATOM 919 C ASN A 58 113.952 4.089 12.444 1.00 0.00 C ATOM 920 O ASN A 58 113.110 4.545 11.670 1.00 0.00 O ATOM 921 CB ASN A 58 115.455 6.031 11.968 1.00 0.00 C ATOM 922 CG ASN A 58 114.902 7.402 12.300 1.00 0.00 C ATOM 923 OD1 ASN A 58 114.067 7.548 13.194 1.00 0.00 O ATOM 924 ND2 ASN A 58 115.367 8.418 11.582 1.00 0.00 N ATOM 0 H ASN A 58 116.271 3.268 12.928 1.00 0.00 H new ATOM 0 HA ASN A 58 114.684 5.475 13.895 1.00 0.00 H new ATOM 0 HB2 ASN A 58 116.542 6.086 11.907 1.00 0.00 H new ATOM 0 HB3 ASN A 58 115.096 5.726 10.985 1.00 0.00 H new ATOM 0 HD21 ASN A 58 115.033 9.365 11.762 1.00 0.00 H new ATOM 0 HD22 ASN A 58 116.058 8.252 10.851 1.00 0.00 H new ATOM 931 N THR A 59 113.955 2.820 12.840 1.00 0.00 N ATOM 932 CA THR A 59 112.942 1.881 12.376 1.00 0.00 C ATOM 933 C THR A 59 111.554 2.352 12.793 1.00 0.00 C ATOM 934 O THR A 59 110.633 2.407 11.976 1.00 0.00 O ATOM 935 CB THR A 59 113.207 0.479 12.930 1.00 0.00 C ATOM 936 OG1 THR A 59 114.410 0.449 13.675 1.00 0.00 O ATOM 937 CG2 THR A 59 113.308 -0.579 11.852 1.00 0.00 C ATOM 0 H THR A 59 114.644 2.421 13.478 1.00 0.00 H new ATOM 0 HA THR A 59 112.990 1.838 11.288 1.00 0.00 H new ATOM 0 HB THR A 59 112.348 0.253 13.562 1.00 0.00 H new ATOM 0 HG1 THR A 59 115.166 0.301 13.069 1.00 0.00 H new ATOM 0 HG21 THR A 59 113.496 -1.549 12.311 1.00 0.00 H new ATOM 0 HG22 THR A 59 112.374 -0.618 11.292 1.00 0.00 H new ATOM 0 HG23 THR A 59 114.127 -0.332 11.176 1.00 0.00 H new ATOM 945 N ALA A 60 111.415 2.706 14.067 1.00 0.00 N ATOM 946 CA ALA A 60 110.141 3.185 14.588 1.00 0.00 C ATOM 947 C ALA A 60 109.698 4.433 13.839 1.00 0.00 C ATOM 948 O ALA A 60 108.504 4.684 13.676 1.00 0.00 O ATOM 949 CB ALA A 60 110.253 3.469 16.078 1.00 0.00 C ATOM 0 H ALA A 60 112.167 2.670 14.755 1.00 0.00 H new ATOM 0 HA ALA A 60 109.390 2.409 14.439 1.00 0.00 H new ATOM 0 HB1 ALA A 60 109.294 3.826 16.453 1.00 0.00 H new ATOM 0 HB2 ALA A 60 110.531 2.555 16.603 1.00 0.00 H new ATOM 0 HB3 ALA A 60 111.015 4.230 16.247 1.00 0.00 H new ATOM 955 N TYR A 61 110.672 5.198 13.361 1.00 0.00 N ATOM 956 CA TYR A 61 110.389 6.408 12.605 1.00 0.00 C ATOM 957 C TYR A 61 109.689 6.029 11.316 1.00 0.00 C ATOM 958 O TYR A 61 108.689 6.635 10.930 1.00 0.00 O ATOM 959 CB TYR A 61 111.677 7.175 12.302 1.00 0.00 C ATOM 960 CG TYR A 61 111.605 7.995 11.034 1.00 0.00 C ATOM 961 CD1 TYR A 61 110.482 8.759 10.747 1.00 0.00 C ATOM 962 CD2 TYR A 61 112.655 8.003 10.127 1.00 0.00 C ATOM 963 CE1 TYR A 61 110.408 9.510 9.591 1.00 0.00 C ATOM 964 CE2 TYR A 61 112.590 8.752 8.966 1.00 0.00 C ATOM 965 CZ TYR A 61 111.464 9.503 8.703 1.00 0.00 C ATOM 966 OH TYR A 61 111.394 10.251 7.550 1.00 0.00 O ATOM 0 H TYR A 61 111.665 5.000 13.485 1.00 0.00 H new ATOM 0 HA TYR A 61 109.745 7.058 13.198 1.00 0.00 H new ATOM 0 HB2 TYR A 61 111.904 7.835 13.140 1.00 0.00 H new ATOM 0 HB3 TYR A 61 112.502 6.467 12.221 1.00 0.00 H new ATOM 0 HD1 TYR A 61 109.653 8.766 11.439 1.00 0.00 H new ATOM 0 HD2 TYR A 61 113.537 7.415 10.331 1.00 0.00 H new ATOM 0 HE1 TYR A 61 109.528 10.100 9.383 1.00 0.00 H new ATOM 0 HE2 TYR A 61 113.416 8.749 8.270 1.00 0.00 H new ATOM 0 HH TYR A 61 112.220 10.136 7.035 1.00 0.00 H new ATOM 976 N LEU A 62 110.205 4.988 10.675 1.00 0.00 N ATOM 977 CA LEU A 62 109.614 4.484 9.453 1.00 0.00 C ATOM 978 C LEU A 62 108.201 4.017 9.757 1.00 0.00 C ATOM 979 O LEU A 62 107.314 4.068 8.905 1.00 0.00 O ATOM 980 CB LEU A 62 110.445 3.331 8.883 1.00 0.00 C ATOM 981 CG LEU A 62 111.737 3.748 8.178 1.00 0.00 C ATOM 982 CD1 LEU A 62 112.333 2.571 7.422 1.00 0.00 C ATOM 983 CD2 LEU A 62 111.476 4.914 7.236 1.00 0.00 C ATOM 0 H LEU A 62 111.033 4.479 10.986 1.00 0.00 H new ATOM 0 HA LEU A 62 109.591 5.277 8.705 1.00 0.00 H new ATOM 0 HB2 LEU A 62 110.697 2.649 9.695 1.00 0.00 H new ATOM 0 HB3 LEU A 62 109.829 2.773 8.178 1.00 0.00 H new ATOM 0 HG LEU A 62 112.455 4.070 8.932 1.00 0.00 H new ATOM 0 HD11 LEU A 62 113.252 2.885 6.926 1.00 0.00 H new ATOM 0 HD12 LEU A 62 112.555 1.765 8.121 1.00 0.00 H new ATOM 0 HD13 LEU A 62 111.620 2.219 6.676 1.00 0.00 H new ATOM 0 HD21 LEU A 62 112.405 5.198 6.743 1.00 0.00 H new ATOM 0 HD22 LEU A 62 110.743 4.619 6.486 1.00 0.00 H new ATOM 0 HD23 LEU A 62 111.093 5.762 7.804 1.00 0.00 H new ATOM 995 N ASP A 63 108.006 3.569 10.995 1.00 0.00 N ATOM 996 CA ASP A 63 106.701 3.096 11.439 1.00 0.00 C ATOM 997 C ASP A 63 105.668 4.212 11.344 1.00 0.00 C ATOM 998 O ASP A 63 104.471 3.956 11.208 1.00 0.00 O ATOM 999 CB ASP A 63 106.781 2.577 12.877 1.00 0.00 C ATOM 1000 CG ASP A 63 105.584 1.726 13.251 1.00 0.00 C ATOM 1001 OD1 ASP A 63 105.094 0.974 12.382 1.00 0.00 O ATOM 1002 OD2 ASP A 63 105.135 1.811 14.413 1.00 0.00 O ATOM 0 H ASP A 63 108.735 3.524 11.707 1.00 0.00 H new ATOM 0 HA ASP A 63 106.394 2.278 10.787 1.00 0.00 H new ATOM 0 HB2 ASP A 63 107.692 1.991 12.999 1.00 0.00 H new ATOM 0 HB3 ASP A 63 106.851 3.422 13.562 1.00 0.00 H new ATOM 1007 N GLY A 64 106.140 5.454 11.412 1.00 0.00 N ATOM 1008 CA GLY A 64 105.245 6.591 11.328 1.00 0.00 C ATOM 1009 C GLY A 64 104.505 6.637 10.006 1.00 0.00 C ATOM 1010 O GLY A 64 103.318 6.958 9.962 1.00 0.00 O ATOM 0 H GLY A 64 107.126 5.691 11.524 1.00 0.00 H new ATOM 0 HA2 GLY A 64 104.525 6.546 12.145 1.00 0.00 H new ATOM 0 HA3 GLY A 64 105.815 7.511 11.456 1.00 0.00 H new ATOM 1014 N LEU A 65 105.207 6.306 8.927 1.00 0.00 N ATOM 1015 CA LEU A 65 104.604 6.301 7.601 1.00 0.00 C ATOM 1016 C LEU A 65 103.512 5.239 7.522 1.00 0.00 C ATOM 1017 O LEU A 65 102.455 5.461 6.933 1.00 0.00 O ATOM 1018 CB LEU A 65 105.666 6.036 6.529 1.00 0.00 C ATOM 1019 CG LEU A 65 106.558 7.228 6.163 1.00 0.00 C ATOM 1020 CD1 LEU A 65 106.707 7.335 4.654 1.00 0.00 C ATOM 1021 CD2 LEU A 65 106.005 8.523 6.733 1.00 0.00 C ATOM 0 H LEU A 65 106.191 6.039 8.945 1.00 0.00 H new ATOM 0 HA LEU A 65 104.161 7.281 7.421 1.00 0.00 H new ATOM 0 HB2 LEU A 65 106.304 5.221 6.870 1.00 0.00 H new ATOM 0 HB3 LEU A 65 105.164 5.691 5.625 1.00 0.00 H new ATOM 0 HG LEU A 65 107.541 7.059 6.602 1.00 0.00 H new ATOM 0 HD11 LEU A 65 107.343 8.186 4.411 1.00 0.00 H new ATOM 0 HD12 LEU A 65 107.159 6.422 4.267 1.00 0.00 H new ATOM 0 HD13 LEU A 65 105.726 7.474 4.200 1.00 0.00 H new ATOM 0 HD21 LEU A 65 106.659 9.350 6.457 1.00 0.00 H new ATOM 0 HD22 LEU A 65 105.007 8.700 6.332 1.00 0.00 H new ATOM 0 HD23 LEU A 65 105.952 8.449 7.819 1.00 0.00 H new ATOM 1033 N MET A 66 103.775 4.088 8.134 1.00 0.00 N ATOM 1034 CA MET A 66 102.816 2.990 8.150 1.00 0.00 C ATOM 1035 C MET A 66 101.705 3.276 9.147 1.00 0.00 C ATOM 1036 O MET A 66 100.586 2.783 9.011 1.00 0.00 O ATOM 1037 CB MET A 66 103.513 1.683 8.521 1.00 0.00 C ATOM 1038 CG MET A 66 104.614 1.291 7.556 1.00 0.00 C ATOM 1039 SD MET A 66 104.493 -0.427 7.020 1.00 0.00 S ATOM 1040 CE MET A 66 105.828 -0.504 5.829 1.00 0.00 C ATOM 0 H MET A 66 104.647 3.892 8.626 1.00 0.00 H new ATOM 0 HA MET A 66 102.386 2.894 7.153 1.00 0.00 H new ATOM 0 HB2 MET A 66 103.934 1.776 9.522 1.00 0.00 H new ATOM 0 HB3 MET A 66 102.773 0.884 8.560 1.00 0.00 H new ATOM 0 HG2 MET A 66 104.575 1.943 6.683 1.00 0.00 H new ATOM 0 HG3 MET A 66 105.582 1.452 8.031 1.00 0.00 H new ATOM 0 HE1 MET A 66 105.682 -1.363 5.174 1.00 0.00 H new ATOM 0 HE2 MET A 66 105.837 0.409 5.233 1.00 0.00 H new ATOM 0 HE3 MET A 66 106.778 -0.605 6.354 1.00 0.00 H new ATOM 1050 N LYS A 67 102.034 4.076 10.152 1.00 0.00 N ATOM 1051 CA LYS A 67 101.079 4.446 11.191 1.00 0.00 C ATOM 1052 C LYS A 67 99.660 4.533 10.633 1.00 0.00 C ATOM 1053 O LYS A 67 98.745 3.891 11.146 1.00 0.00 O ATOM 1054 CB LYS A 67 101.474 5.781 11.825 1.00 0.00 C ATOM 1055 CG LYS A 67 100.474 6.287 12.851 1.00 0.00 C ATOM 1056 CD LYS A 67 101.068 6.292 14.250 1.00 0.00 C ATOM 1057 CE LYS A 67 101.114 4.894 14.841 1.00 0.00 C ATOM 1058 NZ LYS A 67 101.765 4.877 16.180 1.00 0.00 N ATOM 0 H LYS A 67 102.961 4.484 10.271 1.00 0.00 H new ATOM 0 HA LYS A 67 101.098 3.668 11.954 1.00 0.00 H new ATOM 0 HB2 LYS A 67 102.448 5.673 12.302 1.00 0.00 H new ATOM 0 HB3 LYS A 67 101.585 6.528 11.039 1.00 0.00 H new ATOM 0 HG2 LYS A 67 100.157 7.295 12.585 1.00 0.00 H new ATOM 0 HG3 LYS A 67 99.584 5.658 12.834 1.00 0.00 H new ATOM 0 HD2 LYS A 67 102.075 6.707 14.217 1.00 0.00 H new ATOM 0 HD3 LYS A 67 100.476 6.941 14.895 1.00 0.00 H new ATOM 0 HE2 LYS A 67 100.100 4.502 14.925 1.00 0.00 H new ATOM 0 HE3 LYS A 67 101.656 4.232 14.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 101.776 3.904 16.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 102.741 5.227 16.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 101.233 5.488 16.832 1.00 0.00 H new ATOM 1072 N PRO A 68 99.454 5.332 9.573 1.00 0.00 N ATOM 1073 CA PRO A 68 98.134 5.495 8.951 1.00 0.00 C ATOM 1074 C PRO A 68 97.628 4.203 8.315 1.00 0.00 C ATOM 1075 O PRO A 68 96.422 3.960 8.260 1.00 0.00 O ATOM 1076 CB PRO A 68 98.367 6.562 7.879 1.00 0.00 C ATOM 1077 CG PRO A 68 99.830 6.511 7.598 1.00 0.00 C ATOM 1078 CD PRO A 68 100.484 6.140 8.898 1.00 0.00 C ATOM 0 HA PRO A 68 97.374 5.770 9.683 1.00 0.00 H new ATOM 0 HB2 PRO A 68 97.785 6.354 6.981 1.00 0.00 H new ATOM 0 HB3 PRO A 68 98.067 7.549 8.232 1.00 0.00 H new ATOM 0 HG2 PRO A 68 100.054 5.777 6.824 1.00 0.00 H new ATOM 0 HG3 PRO A 68 100.193 7.474 7.239 1.00 0.00 H new ATOM 0 HD2 PRO A 68 101.401 5.573 8.740 1.00 0.00 H new ATOM 0 HD3 PRO A 68 100.751 7.022 9.481 1.00 0.00 H new ATOM 1086 N TYR A 69 98.554 3.378 7.836 1.00 0.00 N ATOM 1087 CA TYR A 69 98.196 2.113 7.204 1.00 0.00 C ATOM 1088 C TYR A 69 98.904 0.939 7.876 1.00 0.00 C ATOM 1089 O TYR A 69 100.125 0.805 7.795 1.00 0.00 O ATOM 1090 CB TYR A 69 98.534 2.150 5.711 1.00 0.00 C ATOM 1091 CG TYR A 69 99.942 1.705 5.394 1.00 0.00 C ATOM 1092 CD1 TYR A 69 100.256 0.357 5.279 1.00 0.00 C ATOM 1093 CD2 TYR A 69 100.958 2.634 5.213 1.00 0.00 C ATOM 1094 CE1 TYR A 69 101.543 -0.053 4.991 1.00 0.00 C ATOM 1095 CE2 TYR A 69 102.248 2.232 4.924 1.00 0.00 C ATOM 1096 CZ TYR A 69 102.535 0.887 4.814 1.00 0.00 C ATOM 1097 OH TYR A 69 103.818 0.484 4.525 1.00 0.00 O ATOM 0 H TYR A 69 99.556 3.562 7.873 1.00 0.00 H new ATOM 0 HA TYR A 69 97.122 1.972 7.321 1.00 0.00 H new ATOM 0 HB2 TYR A 69 97.832 1.513 5.173 1.00 0.00 H new ATOM 0 HB3 TYR A 69 98.392 3.165 5.341 1.00 0.00 H new ATOM 0 HD1 TYR A 69 99.481 -0.383 5.417 1.00 0.00 H new ATOM 0 HD2 TYR A 69 100.736 3.687 5.299 1.00 0.00 H new ATOM 0 HE1 TYR A 69 101.771 -1.105 4.905 1.00 0.00 H new ATOM 0 HE2 TYR A 69 103.027 2.967 4.785 1.00 0.00 H new ATOM 0 HH TYR A 69 104.262 1.169 3.983 1.00 0.00 H new ATOM 1107 N LEU A 70 98.126 0.095 8.545 1.00 0.00 N ATOM 1108 CA LEU A 70 98.664 -1.067 9.237 1.00 0.00 C ATOM 1109 C LEU A 70 98.146 -2.356 8.595 1.00 0.00 C ATOM 1110 O LEU A 70 97.938 -2.410 7.383 1.00 0.00 O ATOM 1111 CB LEU A 70 98.280 -1.021 10.719 1.00 0.00 C ATOM 1112 CG LEU A 70 98.614 0.283 11.446 1.00 0.00 C ATOM 1113 CD1 LEU A 70 100.119 0.485 11.519 1.00 0.00 C ATOM 1114 CD2 LEU A 70 97.947 1.472 10.773 1.00 0.00 C ATOM 0 H LEU A 70 97.114 0.197 8.622 1.00 0.00 H new ATOM 0 HA LEU A 70 99.751 -1.051 9.155 1.00 0.00 H new ATOM 0 HB2 LEU A 70 97.208 -1.200 10.804 1.00 0.00 H new ATOM 0 HB3 LEU A 70 98.782 -1.841 11.232 1.00 0.00 H new ATOM 0 HG LEU A 70 98.225 0.210 12.462 1.00 0.00 H new ATOM 0 HD11 LEU A 70 100.336 1.418 12.040 1.00 0.00 H new ATOM 0 HD12 LEU A 70 100.572 -0.346 12.060 1.00 0.00 H new ATOM 0 HD13 LEU A 70 100.530 0.528 10.510 1.00 0.00 H new ATOM 0 HD21 LEU A 70 98.202 2.385 11.311 1.00 0.00 H new ATOM 0 HD22 LEU A 70 98.294 1.549 9.743 1.00 0.00 H new ATOM 0 HD23 LEU A 70 96.866 1.336 10.782 1.00 0.00 H new ATOM 1126 N SER A 71 97.938 -3.390 9.408 1.00 0.00 N ATOM 1127 CA SER A 71 97.442 -4.666 8.906 1.00 0.00 C ATOM 1128 C SER A 71 97.183 -5.636 10.052 1.00 0.00 C ATOM 1129 O SER A 71 96.102 -6.216 10.157 1.00 0.00 O ATOM 1130 CB SER A 71 98.445 -5.276 7.926 1.00 0.00 C ATOM 1131 OG SER A 71 98.073 -5.012 6.584 1.00 0.00 O ATOM 0 H SER A 71 98.105 -3.368 10.414 1.00 0.00 H new ATOM 0 HA SER A 71 96.501 -4.483 8.387 1.00 0.00 H new ATOM 0 HB2 SER A 71 99.438 -4.870 8.118 1.00 0.00 H new ATOM 0 HB3 SER A 71 98.505 -6.353 8.085 1.00 0.00 H new ATOM 0 HG SER A 71 97.918 -4.051 6.470 1.00 0.00 H new ATOM 1137 N ARG A 72 98.184 -5.808 10.910 1.00 0.00 N ATOM 1138 CA ARG A 72 98.070 -6.707 12.052 1.00 0.00 C ATOM 1139 C ARG A 72 99.426 -6.897 12.727 1.00 0.00 C ATOM 1140 O ARG A 72 99.673 -6.359 13.806 1.00 0.00 O ATOM 1141 CB ARG A 72 97.514 -8.061 11.605 1.00 0.00 C ATOM 1142 CG ARG A 72 96.362 -8.553 12.464 1.00 0.00 C ATOM 1143 CD ARG A 72 95.125 -8.839 11.628 1.00 0.00 C ATOM 1144 NE ARG A 72 93.953 -9.103 12.456 1.00 0.00 N ATOM 1145 CZ ARG A 72 93.375 -8.186 13.227 1.00 0.00 C ATOM 1146 NH1 ARG A 72 93.860 -6.953 13.273 1.00 0.00 N ATOM 1147 NH2 ARG A 72 92.309 -8.502 13.950 1.00 0.00 N ATOM 0 H ARG A 72 99.085 -5.335 10.835 1.00 0.00 H new ATOM 0 HA ARG A 72 97.384 -6.261 12.772 1.00 0.00 H new ATOM 0 HB2 ARG A 72 97.179 -7.984 10.570 1.00 0.00 H new ATOM 0 HB3 ARG A 72 98.315 -8.800 11.627 1.00 0.00 H new ATOM 0 HG2 ARG A 72 96.662 -9.458 12.993 1.00 0.00 H new ATOM 0 HG3 ARG A 72 96.126 -7.805 13.221 1.00 0.00 H new ATOM 0 HD2 ARG A 72 94.924 -7.989 10.976 1.00 0.00 H new ATOM 0 HD3 ARG A 72 95.314 -9.697 10.983 1.00 0.00 H new ATOM 0 HE ARG A 72 93.555 -10.042 12.443 1.00 0.00 H new ATOM 0 HH11 ARG A 72 94.678 -6.706 12.716 1.00 0.00 H new ATOM 0 HH12 ARG A 72 93.415 -6.252 13.865 1.00 0.00 H new ATOM 0 HH21 ARG A 72 91.932 -9.449 13.915 1.00 0.00 H new ATOM 0 HH22 ARG A 72 91.867 -7.798 14.541 1.00 0.00 H new ATOM 1161 N LEU A 73 100.303 -7.657 12.077 1.00 0.00 N ATOM 1162 CA LEU A 73 101.640 -7.907 12.610 1.00 0.00 C ATOM 1163 C LEU A 73 102.702 -7.677 11.539 1.00 0.00 C ATOM 1164 O LEU A 73 102.898 -8.509 10.654 1.00 0.00 O ATOM 1165 CB LEU A 73 101.764 -9.331 13.171 1.00 0.00 C ATOM 1166 CG LEU A 73 100.674 -10.324 12.754 1.00 0.00 C ATOM 1167 CD1 LEU A 73 99.366 -10.019 13.468 1.00 0.00 C ATOM 1168 CD2 LEU A 73 100.481 -10.318 11.245 1.00 0.00 C ATOM 0 H LEU A 73 100.113 -8.110 11.183 1.00 0.00 H new ATOM 0 HA LEU A 73 101.801 -7.203 13.426 1.00 0.00 H new ATOM 0 HB2 LEU A 73 102.729 -9.735 12.867 1.00 0.00 H new ATOM 0 HB3 LEU A 73 101.773 -9.270 14.259 1.00 0.00 H new ATOM 0 HG LEU A 73 100.997 -11.323 13.047 1.00 0.00 H new ATOM 0 HD11 LEU A 73 98.606 -10.736 13.157 1.00 0.00 H new ATOM 0 HD12 LEU A 73 99.514 -10.091 14.545 1.00 0.00 H new ATOM 0 HD13 LEU A 73 99.039 -9.011 13.214 1.00 0.00 H new ATOM 0 HD21 LEU A 73 99.702 -11.031 10.975 1.00 0.00 H new ATOM 0 HD22 LEU A 73 100.188 -9.320 10.920 1.00 0.00 H new ATOM 0 HD23 LEU A 73 101.415 -10.599 10.758 1.00 0.00 H new ATOM 1180 N LEU A 74 103.383 -6.539 11.626 1.00 0.00 N ATOM 1181 CA LEU A 74 104.424 -6.196 10.664 1.00 0.00 C ATOM 1182 C LEU A 74 105.487 -7.290 10.597 1.00 0.00 C ATOM 1183 O LEU A 74 106.010 -7.593 9.525 1.00 0.00 O ATOM 1184 CB LEU A 74 105.073 -4.862 11.038 1.00 0.00 C ATOM 1185 CG LEU A 74 104.220 -3.624 10.754 1.00 0.00 C ATOM 1186 CD1 LEU A 74 102.997 -3.600 11.655 1.00 0.00 C ATOM 1187 CD2 LEU A 74 105.043 -2.357 10.934 1.00 0.00 C ATOM 0 H LEU A 74 103.233 -5.839 12.353 1.00 0.00 H new ATOM 0 HA LEU A 74 103.960 -6.105 9.682 1.00 0.00 H new ATOM 0 HB2 LEU A 74 105.318 -4.880 12.100 1.00 0.00 H new ATOM 0 HB3 LEU A 74 106.014 -4.768 10.495 1.00 0.00 H new ATOM 0 HG LEU A 74 103.881 -3.669 9.719 1.00 0.00 H new ATOM 0 HD11 LEU A 74 102.403 -2.712 11.438 1.00 0.00 H new ATOM 0 HD12 LEU A 74 102.396 -4.492 11.476 1.00 0.00 H new ATOM 0 HD13 LEU A 74 103.314 -3.579 12.698 1.00 0.00 H new ATOM 0 HD21 LEU A 74 104.420 -1.486 10.728 1.00 0.00 H new ATOM 0 HD22 LEU A 74 105.412 -2.305 11.958 1.00 0.00 H new ATOM 0 HD23 LEU A 74 105.887 -2.371 10.245 1.00 0.00 H new ATOM 1199 N GLU A 75 105.799 -7.876 11.747 1.00 0.00 N ATOM 1200 CA GLU A 75 106.800 -8.936 11.816 1.00 0.00 C ATOM 1201 C GLU A 75 106.279 -10.218 11.172 1.00 0.00 C ATOM 1202 O GLU A 75 107.054 -11.111 10.830 1.00 0.00 O ATOM 1203 CB GLU A 75 107.191 -9.203 13.270 1.00 0.00 C ATOM 1204 CG GLU A 75 108.685 -9.086 13.528 1.00 0.00 C ATOM 1205 CD GLU A 75 109.008 -8.860 14.992 1.00 0.00 C ATOM 1206 OE1 GLU A 75 108.301 -8.059 15.640 1.00 0.00 O ATOM 1207 OE2 GLU A 75 109.969 -9.484 15.490 1.00 0.00 O ATOM 0 H GLU A 75 105.375 -7.636 12.643 1.00 0.00 H new ATOM 0 HA GLU A 75 107.681 -8.607 11.266 1.00 0.00 H new ATOM 0 HB2 GLU A 75 106.663 -8.500 13.915 1.00 0.00 H new ATOM 0 HB3 GLU A 75 106.859 -10.203 13.549 1.00 0.00 H new ATOM 0 HG2 GLU A 75 109.181 -9.994 13.186 1.00 0.00 H new ATOM 0 HG3 GLU A 75 109.088 -8.262 12.939 1.00 0.00 H new ATOM 1214 N GLU A 76 104.962 -10.299 11.008 1.00 0.00 N ATOM 1215 CA GLU A 76 104.338 -11.471 10.404 1.00 0.00 C ATOM 1216 C GLU A 76 103.581 -11.090 9.136 1.00 0.00 C ATOM 1217 O GLU A 76 102.716 -11.832 8.670 1.00 0.00 O ATOM 1218 CB GLU A 76 103.387 -12.137 11.400 1.00 0.00 C ATOM 1219 CG GLU A 76 104.015 -12.401 12.758 1.00 0.00 C ATOM 1220 CD GLU A 76 103.724 -13.797 13.273 1.00 0.00 C ATOM 1221 OE1 GLU A 76 104.457 -14.734 12.893 1.00 0.00 O ATOM 1222 OE2 GLU A 76 102.765 -13.953 14.057 1.00 0.00 O ATOM 0 H GLU A 76 104.307 -9.568 11.285 1.00 0.00 H new ATOM 0 HA GLU A 76 105.125 -12.176 10.137 1.00 0.00 H new ATOM 0 HB2 GLU A 76 102.510 -11.503 11.532 1.00 0.00 H new ATOM 0 HB3 GLU A 76 103.038 -13.081 10.981 1.00 0.00 H new ATOM 0 HG2 GLU A 76 105.094 -12.261 12.689 1.00 0.00 H new ATOM 0 HG3 GLU A 76 103.644 -11.668 13.475 1.00 0.00 H new ATOM 1229 N LEU A 77 103.913 -9.929 8.582 1.00 0.00 N ATOM 1230 CA LEU A 77 103.266 -9.447 7.366 1.00 0.00 C ATOM 1231 C LEU A 77 104.141 -9.713 6.144 1.00 0.00 C ATOM 1232 O LEU A 77 105.221 -10.291 6.258 1.00 0.00 O ATOM 1233 CB LEU A 77 102.971 -7.951 7.482 1.00 0.00 C ATOM 1234 CG LEU A 77 101.856 -7.438 6.570 1.00 0.00 C ATOM 1235 CD1 LEU A 77 100.773 -6.751 7.385 1.00 0.00 C ATOM 1236 CD2 LEU A 77 102.420 -6.490 5.522 1.00 0.00 C ATOM 0 H LEU A 77 104.627 -9.303 8.956 1.00 0.00 H new ATOM 0 HA LEU A 77 102.327 -9.987 7.242 1.00 0.00 H new ATOM 0 HB2 LEU A 77 102.706 -7.728 8.515 1.00 0.00 H new ATOM 0 HB3 LEU A 77 103.884 -7.398 7.261 1.00 0.00 H new ATOM 0 HG LEU A 77 101.410 -8.291 6.058 1.00 0.00 H new ATOM 0 HD11 LEU A 77 99.988 -6.393 6.719 1.00 0.00 H new ATOM 0 HD12 LEU A 77 100.349 -7.459 8.097 1.00 0.00 H new ATOM 0 HD13 LEU A 77 101.204 -5.908 7.925 1.00 0.00 H new ATOM 0 HD21 LEU A 77 101.613 -6.134 4.881 1.00 0.00 H new ATOM 0 HD22 LEU A 77 102.892 -5.641 6.016 1.00 0.00 H new ATOM 0 HD23 LEU A 77 103.159 -7.015 4.917 1.00 0.00 H new ATOM 1248 N GLY A 78 103.667 -9.284 4.977 1.00 0.00 N ATOM 1249 CA GLY A 78 104.419 -9.484 3.752 1.00 0.00 C ATOM 1250 C GLY A 78 105.914 -9.363 3.968 1.00 0.00 C ATOM 1251 O GLY A 78 106.460 -8.260 3.981 1.00 0.00 O ATOM 0 H GLY A 78 102.776 -8.802 4.859 1.00 0.00 H new ATOM 0 HA2 GLY A 78 104.192 -10.470 3.346 1.00 0.00 H new ATOM 0 HA3 GLY A 78 104.101 -8.752 3.010 1.00 0.00 H new ATOM 1255 N GLN A 79 106.577 -10.501 4.142 1.00 0.00 N ATOM 1256 CA GLN A 79 108.017 -10.520 4.365 1.00 0.00 C ATOM 1257 C GLN A 79 108.719 -9.469 3.510 1.00 0.00 C ATOM 1258 O GLN A 79 109.184 -8.450 4.021 1.00 0.00 O ATOM 1259 CB GLN A 79 108.583 -11.907 4.054 1.00 0.00 C ATOM 1260 CG GLN A 79 108.863 -12.739 5.294 1.00 0.00 C ATOM 1261 CD GLN A 79 110.299 -12.618 5.766 1.00 0.00 C ATOM 1262 OE1 GLN A 79 111.044 -13.598 5.785 1.00 0.00 O ATOM 1263 NE2 GLN A 79 110.696 -11.410 6.152 1.00 0.00 N ATOM 0 H GLN A 79 106.140 -11.422 4.133 1.00 0.00 H new ATOM 0 HA GLN A 79 108.198 -10.286 5.414 1.00 0.00 H new ATOM 0 HB2 GLN A 79 107.879 -12.443 3.417 1.00 0.00 H new ATOM 0 HB3 GLN A 79 109.506 -11.795 3.485 1.00 0.00 H new ATOM 0 HG2 GLN A 79 108.194 -12.426 6.095 1.00 0.00 H new ATOM 0 HG3 GLN A 79 108.641 -13.785 5.083 1.00 0.00 H new ATOM 0 HE21 GLN A 79 110.046 -10.625 6.120 1.00 0.00 H new ATOM 0 HE22 GLN A 79 111.651 -11.268 6.480 1.00 0.00 H new ATOM 1272 N VAL A 80 108.803 -9.728 2.209 1.00 0.00 N ATOM 1273 CA VAL A 80 109.460 -8.804 1.289 1.00 0.00 C ATOM 1274 C VAL A 80 108.644 -7.534 1.078 1.00 0.00 C ATOM 1275 O VAL A 80 109.169 -6.425 1.192 1.00 0.00 O ATOM 1276 CB VAL A 80 109.720 -9.451 -0.088 1.00 0.00 C ATOM 1277 CG1 VAL A 80 111.087 -10.118 -0.120 1.00 0.00 C ATOM 1278 CG2 VAL A 80 108.624 -10.446 -0.439 1.00 0.00 C ATOM 0 H VAL A 80 108.426 -10.567 1.768 1.00 0.00 H new ATOM 0 HA VAL A 80 110.412 -8.549 1.756 1.00 0.00 H new ATOM 0 HB VAL A 80 109.709 -8.661 -0.839 1.00 0.00 H new ATOM 0 HG11 VAL A 80 111.250 -10.568 -1.100 1.00 0.00 H new ATOM 0 HG12 VAL A 80 111.860 -9.373 0.070 1.00 0.00 H new ATOM 0 HG13 VAL A 80 111.132 -10.892 0.646 1.00 0.00 H new ATOM 0 HG21 VAL A 80 108.832 -10.887 -1.414 1.00 0.00 H new ATOM 0 HG22 VAL A 80 108.591 -11.232 0.315 1.00 0.00 H new ATOM 0 HG23 VAL A 80 107.663 -9.933 -0.470 1.00 0.00 H new ATOM 1288 N GLU A 81 107.364 -7.695 0.759 1.00 0.00 N ATOM 1289 CA GLU A 81 106.500 -6.543 0.511 1.00 0.00 C ATOM 1290 C GLU A 81 106.524 -5.580 1.686 1.00 0.00 C ATOM 1291 O GLU A 81 106.754 -4.383 1.509 1.00 0.00 O ATOM 1292 CB GLU A 81 105.058 -6.983 0.241 1.00 0.00 C ATOM 1293 CG GLU A 81 104.718 -8.364 0.784 1.00 0.00 C ATOM 1294 CD GLU A 81 104.924 -9.460 -0.241 1.00 0.00 C ATOM 1295 OE1 GLU A 81 105.879 -9.354 -1.040 1.00 0.00 O ATOM 1296 OE2 GLU A 81 104.130 -10.424 -0.247 1.00 0.00 O ATOM 0 H GLU A 81 106.904 -8.601 0.666 1.00 0.00 H new ATOM 0 HA GLU A 81 106.885 -6.034 -0.372 1.00 0.00 H new ATOM 0 HB2 GLU A 81 104.378 -6.254 0.682 1.00 0.00 H new ATOM 0 HB3 GLU A 81 104.882 -6.974 -0.835 1.00 0.00 H new ATOM 0 HG2 GLU A 81 105.336 -8.569 1.658 1.00 0.00 H new ATOM 0 HG3 GLU A 81 103.680 -8.374 1.117 1.00 0.00 H new ATOM 1303 N LYS A 82 106.309 -6.099 2.888 1.00 0.00 N ATOM 1304 CA LYS A 82 106.318 -5.258 4.073 1.00 0.00 C ATOM 1305 C LYS A 82 107.637 -4.511 4.154 1.00 0.00 C ATOM 1306 O LYS A 82 107.678 -3.333 4.507 1.00 0.00 O ATOM 1307 CB LYS A 82 106.110 -6.099 5.335 1.00 0.00 C ATOM 1308 CG LYS A 82 105.912 -5.269 6.593 1.00 0.00 C ATOM 1309 CD LYS A 82 107.238 -4.785 7.158 1.00 0.00 C ATOM 1310 CE LYS A 82 107.190 -3.306 7.507 1.00 0.00 C ATOM 1311 NZ LYS A 82 106.447 -3.059 8.774 1.00 0.00 N ATOM 0 H LYS A 82 106.128 -7.087 3.065 1.00 0.00 H new ATOM 0 HA LYS A 82 105.499 -4.542 4.003 1.00 0.00 H new ATOM 0 HB2 LYS A 82 105.242 -6.742 5.194 1.00 0.00 H new ATOM 0 HB3 LYS A 82 106.972 -6.752 5.472 1.00 0.00 H new ATOM 0 HG2 LYS A 82 105.277 -4.412 6.368 1.00 0.00 H new ATOM 0 HG3 LYS A 82 105.391 -5.863 7.344 1.00 0.00 H new ATOM 0 HD2 LYS A 82 107.487 -5.362 8.049 1.00 0.00 H new ATOM 0 HD3 LYS A 82 108.031 -4.963 6.431 1.00 0.00 H new ATOM 0 HE2 LYS A 82 108.206 -2.922 7.601 1.00 0.00 H new ATOM 0 HE3 LYS A 82 106.715 -2.756 6.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 106.349 -2.035 8.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 105.504 -3.492 8.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 106.969 -3.477 9.570 1.00 0.00 H new ATOM 1325 N ALA A 83 108.712 -5.199 3.793 1.00 0.00 N ATOM 1326 CA ALA A 83 110.028 -4.593 3.791 1.00 0.00 C ATOM 1327 C ALA A 83 110.143 -3.590 2.650 1.00 0.00 C ATOM 1328 O ALA A 83 110.691 -2.501 2.815 1.00 0.00 O ATOM 1329 CB ALA A 83 111.106 -5.661 3.673 1.00 0.00 C ATOM 0 H ALA A 83 108.694 -6.176 3.499 1.00 0.00 H new ATOM 0 HA ALA A 83 110.170 -4.065 4.734 1.00 0.00 H new ATOM 0 HB1 ALA A 83 112.088 -5.188 3.673 1.00 0.00 H new ATOM 0 HB2 ALA A 83 111.033 -6.346 4.517 1.00 0.00 H new ATOM 0 HB3 ALA A 83 110.970 -6.214 2.744 1.00 0.00 H new ATOM 1335 N VAL A 84 109.609 -3.970 1.490 1.00 0.00 N ATOM 1336 CA VAL A 84 109.653 -3.118 0.311 1.00 0.00 C ATOM 1337 C VAL A 84 108.993 -1.781 0.577 1.00 0.00 C ATOM 1338 O VAL A 84 109.521 -0.729 0.216 1.00 0.00 O ATOM 1339 CB VAL A 84 108.967 -3.788 -0.893 1.00 0.00 C ATOM 1340 CG1 VAL A 84 107.880 -2.885 -1.460 1.00 0.00 C ATOM 1341 CG2 VAL A 84 109.993 -4.143 -1.960 1.00 0.00 C ATOM 0 H VAL A 84 109.141 -4.865 1.345 1.00 0.00 H new ATOM 0 HA VAL A 84 110.705 -2.959 0.076 1.00 0.00 H new ATOM 0 HB VAL A 84 108.496 -4.711 -0.555 1.00 0.00 H new ATOM 0 HG11 VAL A 84 107.406 -3.376 -2.310 1.00 0.00 H new ATOM 0 HG12 VAL A 84 107.132 -2.689 -0.691 1.00 0.00 H new ATOM 0 HG13 VAL A 84 108.322 -1.943 -1.785 1.00 0.00 H new ATOM 0 HG21 VAL A 84 109.491 -4.616 -2.804 1.00 0.00 H new ATOM 0 HG22 VAL A 84 110.495 -3.236 -2.298 1.00 0.00 H new ATOM 0 HG23 VAL A 84 110.728 -4.831 -1.543 1.00 0.00 H new ATOM 1351 N LEU A 85 107.839 -1.826 1.218 1.00 0.00 N ATOM 1352 CA LEU A 85 107.109 -0.616 1.540 1.00 0.00 C ATOM 1353 C LEU A 85 107.847 0.185 2.604 1.00 0.00 C ATOM 1354 O LEU A 85 107.807 1.415 2.605 1.00 0.00 O ATOM 1355 CB LEU A 85 105.705 -0.966 2.032 1.00 0.00 C ATOM 1356 CG LEU A 85 104.940 -1.956 1.152 1.00 0.00 C ATOM 1357 CD1 LEU A 85 104.235 -2.995 2.009 1.00 0.00 C ATOM 1358 CD2 LEU A 85 103.942 -1.223 0.269 1.00 0.00 C ATOM 0 H LEU A 85 107.388 -2.688 1.525 1.00 0.00 H new ATOM 0 HA LEU A 85 107.030 -0.009 0.638 1.00 0.00 H new ATOM 0 HB2 LEU A 85 105.781 -1.380 3.037 1.00 0.00 H new ATOM 0 HB3 LEU A 85 105.124 -0.047 2.109 1.00 0.00 H new ATOM 0 HG LEU A 85 105.654 -2.470 0.508 1.00 0.00 H new ATOM 0 HD11 LEU A 85 103.696 -3.691 1.367 1.00 0.00 H new ATOM 0 HD12 LEU A 85 104.972 -3.541 2.598 1.00 0.00 H new ATOM 0 HD13 LEU A 85 103.531 -2.499 2.677 1.00 0.00 H new ATOM 0 HD21 LEU A 85 103.407 -1.943 -0.350 1.00 0.00 H new ATOM 0 HD22 LEU A 85 103.231 -0.683 0.894 1.00 0.00 H new ATOM 0 HD23 LEU A 85 104.472 -0.517 -0.371 1.00 0.00 H new ATOM 1370 N ARG A 86 108.531 -0.517 3.505 1.00 0.00 N ATOM 1371 CA ARG A 86 109.264 0.147 4.573 1.00 0.00 C ATOM 1372 C ARG A 86 110.302 1.094 3.998 1.00 0.00 C ATOM 1373 O ARG A 86 110.380 2.258 4.391 1.00 0.00 O ATOM 1374 CB ARG A 86 109.940 -0.884 5.478 1.00 0.00 C ATOM 1375 CG ARG A 86 111.192 -0.364 6.163 1.00 0.00 C ATOM 1376 CD ARG A 86 111.609 -1.258 7.319 1.00 0.00 C ATOM 1377 NE ARG A 86 110.477 -1.612 8.171 1.00 0.00 N ATOM 1378 CZ ARG A 86 110.432 -2.712 8.917 1.00 0.00 C ATOM 1379 NH1 ARG A 86 111.452 -3.559 8.912 1.00 0.00 N ATOM 1380 NH2 ARG A 86 109.368 -2.965 9.666 1.00 0.00 N ATOM 0 H ARG A 86 108.591 -1.535 3.515 1.00 0.00 H new ATOM 0 HA ARG A 86 108.555 0.724 5.166 1.00 0.00 H new ATOM 0 HB2 ARG A 86 109.229 -1.210 6.237 1.00 0.00 H new ATOM 0 HB3 ARG A 86 110.198 -1.762 4.885 1.00 0.00 H new ATOM 0 HG2 ARG A 86 112.004 -0.302 5.439 1.00 0.00 H new ATOM 0 HG3 ARG A 86 111.014 0.647 6.530 1.00 0.00 H new ATOM 0 HD2 ARG A 86 112.067 -2.167 6.928 1.00 0.00 H new ATOM 0 HD3 ARG A 86 112.367 -0.750 7.915 1.00 0.00 H new ATOM 0 HE ARG A 86 109.676 -0.980 8.195 1.00 0.00 H new ATOM 0 HH11 ARG A 86 112.272 -3.367 8.336 1.00 0.00 H new ATOM 0 HH12 ARG A 86 111.417 -4.403 9.484 1.00 0.00 H new ATOM 0 HH21 ARG A 86 108.582 -2.315 9.671 1.00 0.00 H new ATOM 0 HH22 ARG A 86 109.336 -3.809 10.237 1.00 0.00 H new ATOM 1394 N ILE A 87 111.080 0.603 3.046 1.00 0.00 N ATOM 1395 CA ILE A 87 112.091 1.427 2.413 1.00 0.00 C ATOM 1396 C ILE A 87 111.435 2.571 1.656 1.00 0.00 C ATOM 1397 O ILE A 87 111.976 3.675 1.586 1.00 0.00 O ATOM 1398 CB ILE A 87 112.976 0.611 1.445 1.00 0.00 C ATOM 1399 CG1 ILE A 87 112.149 0.069 0.275 1.00 0.00 C ATOM 1400 CG2 ILE A 87 113.659 -0.527 2.187 1.00 0.00 C ATOM 1401 CD1 ILE A 87 112.940 -0.071 -1.009 1.00 0.00 C ATOM 0 H ILE A 87 111.030 -0.355 2.699 1.00 0.00 H new ATOM 0 HA ILE A 87 112.729 1.822 3.203 1.00 0.00 H new ATOM 0 HB ILE A 87 113.741 1.273 1.040 1.00 0.00 H new ATOM 0 HG12 ILE A 87 111.740 -0.904 0.549 1.00 0.00 H new ATOM 0 HG13 ILE A 87 111.302 0.733 0.100 1.00 0.00 H new ATOM 0 HG21 ILE A 87 114.279 -1.094 1.493 1.00 0.00 H new ATOM 0 HG22 ILE A 87 114.283 -0.120 2.982 1.00 0.00 H new ATOM 0 HG23 ILE A 87 112.904 -1.184 2.619 1.00 0.00 H new ATOM 0 HD11 ILE A 87 112.292 -0.460 -1.795 1.00 0.00 H new ATOM 0 HD12 ILE A 87 113.326 0.904 -1.306 1.00 0.00 H new ATOM 0 HD13 ILE A 87 113.771 -0.758 -0.851 1.00 0.00 H new ATOM 1413 N ALA A 88 110.249 2.307 1.109 1.00 0.00 N ATOM 1414 CA ALA A 88 109.520 3.318 0.364 1.00 0.00 C ATOM 1415 C ALA A 88 109.236 4.516 1.247 1.00 0.00 C ATOM 1416 O ALA A 88 109.287 5.660 0.798 1.00 0.00 O ATOM 1417 CB ALA A 88 108.224 2.743 -0.184 1.00 0.00 C ATOM 0 H ALA A 88 109.779 1.404 1.170 1.00 0.00 H new ATOM 0 HA ALA A 88 110.135 3.642 -0.476 1.00 0.00 H new ATOM 0 HB1 ALA A 88 107.690 3.514 -0.740 1.00 0.00 H new ATOM 0 HB2 ALA A 88 108.448 1.907 -0.847 1.00 0.00 H new ATOM 0 HB3 ALA A 88 107.603 2.395 0.641 1.00 0.00 H new ATOM 1423 N LEU A 89 108.959 4.247 2.513 1.00 0.00 N ATOM 1424 CA LEU A 89 108.677 5.307 3.458 1.00 0.00 C ATOM 1425 C LEU A 89 109.879 6.232 3.573 1.00 0.00 C ATOM 1426 O LEU A 89 109.742 7.457 3.524 1.00 0.00 O ATOM 1427 CB LEU A 89 108.333 4.711 4.827 1.00 0.00 C ATOM 1428 CG LEU A 89 107.343 3.542 4.793 1.00 0.00 C ATOM 1429 CD1 LEU A 89 106.976 3.107 6.205 1.00 0.00 C ATOM 1430 CD2 LEU A 89 106.095 3.922 4.008 1.00 0.00 C ATOM 0 H LEU A 89 108.924 3.306 2.905 1.00 0.00 H new ATOM 0 HA LEU A 89 107.823 5.883 3.103 1.00 0.00 H new ATOM 0 HB2 LEU A 89 109.254 4.374 5.302 1.00 0.00 H new ATOM 0 HB3 LEU A 89 107.920 5.499 5.457 1.00 0.00 H new ATOM 0 HG LEU A 89 107.822 2.702 4.291 1.00 0.00 H new ATOM 0 HD11 LEU A 89 106.272 2.276 6.158 1.00 0.00 H new ATOM 0 HD12 LEU A 89 107.875 2.792 6.734 1.00 0.00 H new ATOM 0 HD13 LEU A 89 106.517 3.942 6.735 1.00 0.00 H new ATOM 0 HD21 LEU A 89 105.403 3.080 3.994 1.00 0.00 H new ATOM 0 HD22 LEU A 89 105.615 4.779 4.481 1.00 0.00 H new ATOM 0 HD23 LEU A 89 106.373 4.180 2.986 1.00 0.00 H new ATOM 1442 N TYR A 90 111.062 5.645 3.685 1.00 0.00 N ATOM 1443 CA TYR A 90 112.278 6.430 3.780 1.00 0.00 C ATOM 1444 C TYR A 90 112.584 7.077 2.440 1.00 0.00 C ATOM 1445 O TYR A 90 113.222 8.128 2.374 1.00 0.00 O ATOM 1446 CB TYR A 90 113.461 5.581 4.247 1.00 0.00 C ATOM 1447 CG TYR A 90 114.316 6.262 5.298 1.00 0.00 C ATOM 1448 CD1 TYR A 90 114.158 7.615 5.593 1.00 0.00 C ATOM 1449 CD2 TYR A 90 115.283 5.548 5.999 1.00 0.00 C ATOM 1450 CE1 TYR A 90 114.940 8.230 6.554 1.00 0.00 C ATOM 1451 CE2 TYR A 90 116.068 6.160 6.962 1.00 0.00 C ATOM 1452 CZ TYR A 90 115.890 7.500 7.234 1.00 0.00 C ATOM 1453 OH TYR A 90 116.668 8.111 8.190 1.00 0.00 O ATOM 0 H TYR A 90 111.203 4.635 3.712 1.00 0.00 H new ATOM 0 HA TYR A 90 112.119 7.209 4.526 1.00 0.00 H new ATOM 0 HB2 TYR A 90 113.086 4.640 4.649 1.00 0.00 H new ATOM 0 HB3 TYR A 90 114.084 5.335 3.387 1.00 0.00 H new ATOM 0 HD1 TYR A 90 113.414 8.192 5.063 1.00 0.00 H new ATOM 0 HD2 TYR A 90 115.424 4.498 5.788 1.00 0.00 H new ATOM 0 HE1 TYR A 90 114.806 9.280 6.771 1.00 0.00 H new ATOM 0 HE2 TYR A 90 116.815 5.591 7.496 1.00 0.00 H new ATOM 0 HH TYR A 90 117.287 7.456 8.575 1.00 0.00 H new ATOM 1463 N GLU A 91 112.123 6.438 1.373 1.00 0.00 N ATOM 1464 CA GLU A 91 112.344 6.947 0.031 1.00 0.00 C ATOM 1465 C GLU A 91 111.900 8.399 -0.056 1.00 0.00 C ATOM 1466 O GLU A 91 112.508 9.200 -0.764 1.00 0.00 O ATOM 1467 CB GLU A 91 111.582 6.102 -0.993 1.00 0.00 C ATOM 1468 CG GLU A 91 112.139 6.207 -2.402 1.00 0.00 C ATOM 1469 CD GLU A 91 111.325 5.420 -3.410 1.00 0.00 C ATOM 1470 OE1 GLU A 91 110.162 5.801 -3.662 1.00 0.00 O ATOM 1471 OE2 GLU A 91 111.849 4.423 -3.948 1.00 0.00 O ATOM 0 H GLU A 91 111.594 5.567 1.413 1.00 0.00 H new ATOM 0 HA GLU A 91 113.409 6.888 -0.193 1.00 0.00 H new ATOM 0 HB2 GLU A 91 111.604 5.058 -0.679 1.00 0.00 H new ATOM 0 HB3 GLU A 91 110.537 6.410 -1.000 1.00 0.00 H new ATOM 0 HG2 GLU A 91 112.166 7.255 -2.701 1.00 0.00 H new ATOM 0 HG3 GLU A 91 113.168 5.846 -2.410 1.00 0.00 H new ATOM 1478 N LEU A 92 110.842 8.735 0.676 1.00 0.00 N ATOM 1479 CA LEU A 92 110.331 10.098 0.681 1.00 0.00 C ATOM 1480 C LEU A 92 111.304 11.037 1.387 1.00 0.00 C ATOM 1481 O LEU A 92 111.457 12.194 1.001 1.00 0.00 O ATOM 1482 CB LEU A 92 108.962 10.137 1.359 1.00 0.00 C ATOM 1483 CG LEU A 92 107.957 9.116 0.824 1.00 0.00 C ATOM 1484 CD1 LEU A 92 107.295 8.359 1.965 1.00 0.00 C ATOM 1485 CD2 LEU A 92 106.914 9.802 -0.041 1.00 0.00 C ATOM 0 H LEU A 92 110.326 8.085 1.269 1.00 0.00 H new ATOM 0 HA LEU A 92 110.225 10.435 -0.350 1.00 0.00 H new ATOM 0 HB2 LEU A 92 109.096 9.970 2.428 1.00 0.00 H new ATOM 0 HB3 LEU A 92 108.542 11.136 1.243 1.00 0.00 H new ATOM 0 HG LEU A 92 108.496 8.395 0.209 1.00 0.00 H new ATOM 0 HD11 LEU A 92 106.584 7.639 1.560 1.00 0.00 H new ATOM 0 HD12 LEU A 92 108.055 7.833 2.542 1.00 0.00 H new ATOM 0 HD13 LEU A 92 106.770 9.062 2.612 1.00 0.00 H new ATOM 0 HD21 LEU A 92 106.206 9.061 -0.414 1.00 0.00 H new ATOM 0 HD22 LEU A 92 106.382 10.546 0.552 1.00 0.00 H new ATOM 0 HD23 LEU A 92 107.404 10.291 -0.883 1.00 0.00 H new ATOM 1497 N SER A 93 111.959 10.527 2.427 1.00 0.00 N ATOM 1498 CA SER A 93 112.918 11.317 3.191 1.00 0.00 C ATOM 1499 C SER A 93 114.238 11.469 2.440 1.00 0.00 C ATOM 1500 O SER A 93 114.787 12.567 2.349 1.00 0.00 O ATOM 1501 CB SER A 93 113.167 10.671 4.555 1.00 0.00 C ATOM 1502 OG SER A 93 114.522 10.280 4.695 1.00 0.00 O ATOM 0 H SER A 93 111.842 9.570 2.759 1.00 0.00 H new ATOM 0 HA SER A 93 112.493 12.310 3.334 1.00 0.00 H new ATOM 0 HB2 SER A 93 112.904 11.373 5.347 1.00 0.00 H new ATOM 0 HB3 SER A 93 112.520 9.801 4.672 1.00 0.00 H new ATOM 0 HG SER A 93 114.569 9.429 5.180 1.00 0.00 H new ATOM 1508 N LYS A 94 114.746 10.360 1.914 1.00 0.00 N ATOM 1509 CA LYS A 94 116.009 10.370 1.184 1.00 0.00 C ATOM 1510 C LYS A 94 115.789 10.588 -0.310 1.00 0.00 C ATOM 1511 O LYS A 94 116.663 10.291 -1.123 1.00 0.00 O ATOM 1512 CB LYS A 94 116.761 9.060 1.415 1.00 0.00 C ATOM 1513 CG LYS A 94 116.821 8.645 2.876 1.00 0.00 C ATOM 1514 CD LYS A 94 117.096 9.835 3.783 1.00 0.00 C ATOM 1515 CE LYS A 94 117.117 9.427 5.247 1.00 0.00 C ATOM 1516 NZ LYS A 94 118.418 9.749 5.895 1.00 0.00 N ATOM 0 H LYS A 94 114.303 9.443 1.979 1.00 0.00 H new ATOM 0 HA LYS A 94 116.605 11.201 1.561 1.00 0.00 H new ATOM 0 HB2 LYS A 94 116.281 8.268 0.840 1.00 0.00 H new ATOM 0 HB3 LYS A 94 117.777 9.161 1.032 1.00 0.00 H new ATOM 0 HG2 LYS A 94 115.878 8.179 3.162 1.00 0.00 H new ATOM 0 HG3 LYS A 94 117.601 7.896 3.011 1.00 0.00 H new ATOM 0 HD2 LYS A 94 118.053 10.284 3.516 1.00 0.00 H new ATOM 0 HD3 LYS A 94 116.332 10.597 3.627 1.00 0.00 H new ATOM 0 HE2 LYS A 94 116.312 9.936 5.777 1.00 0.00 H new ATOM 0 HE3 LYS A 94 116.926 8.357 5.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 118.391 9.455 6.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 119.184 9.244 5.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 118.589 10.773 5.840 1.00 0.00 H new ATOM 1530 N ARG A 95 114.622 11.113 -0.667 1.00 0.00 N ATOM 1531 CA ARG A 95 114.301 11.372 -2.067 1.00 0.00 C ATOM 1532 C ARG A 95 115.173 12.494 -2.620 1.00 0.00 C ATOM 1533 O ARG A 95 115.893 13.157 -1.874 1.00 0.00 O ATOM 1534 CB ARG A 95 112.823 11.736 -2.221 1.00 0.00 C ATOM 1535 CG ARG A 95 112.375 12.863 -1.307 1.00 0.00 C ATOM 1536 CD ARG A 95 112.501 14.215 -1.989 1.00 0.00 C ATOM 1537 NE ARG A 95 111.581 15.198 -1.424 1.00 0.00 N ATOM 1538 CZ ARG A 95 111.774 16.510 -1.493 1.00 0.00 C ATOM 1539 NH1 ARG A 95 112.851 16.993 -2.098 1.00 0.00 N ATOM 1540 NH2 ARG A 95 110.892 17.342 -0.956 1.00 0.00 N ATOM 0 H ARG A 95 113.885 11.367 -0.010 1.00 0.00 H new ATOM 0 HA ARG A 95 114.500 10.462 -2.634 1.00 0.00 H new ATOM 0 HB2 ARG A 95 112.634 12.022 -3.256 1.00 0.00 H new ATOM 0 HB3 ARG A 95 112.217 10.853 -2.019 1.00 0.00 H new ATOM 0 HG2 ARG A 95 111.340 12.700 -1.007 1.00 0.00 H new ATOM 0 HG3 ARG A 95 112.975 12.856 -0.397 1.00 0.00 H new ATOM 0 HD2 ARG A 95 113.524 14.577 -1.891 1.00 0.00 H new ATOM 0 HD3 ARG A 95 112.303 14.104 -3.055 1.00 0.00 H new ATOM 0 HE ARG A 95 110.744 14.858 -0.950 1.00 0.00 H new ATOM 0 HH11 ARG A 95 113.532 16.356 -2.511 1.00 0.00 H new ATOM 0 HH12 ARG A 95 112.998 18.001 -2.150 1.00 0.00 H new ATOM 0 HH21 ARG A 95 110.063 16.975 -0.489 1.00 0.00 H new ATOM 0 HH22 ARG A 95 111.042 18.349 -1.010 1.00 0.00 H new ATOM 1554 N SER A 96 115.104 12.704 -3.930 1.00 0.00 N ATOM 1555 CA SER A 96 115.890 13.747 -4.577 1.00 0.00 C ATOM 1556 C SER A 96 115.137 14.343 -5.763 1.00 0.00 C ATOM 1557 O SER A 96 114.671 13.621 -6.642 1.00 0.00 O ATOM 1558 CB SER A 96 117.236 13.188 -5.043 1.00 0.00 C ATOM 1559 OG SER A 96 117.530 11.961 -4.395 1.00 0.00 O ATOM 0 H SER A 96 114.513 12.166 -4.564 1.00 0.00 H new ATOM 0 HA SER A 96 116.065 14.537 -3.847 1.00 0.00 H new ATOM 0 HB2 SER A 96 117.217 13.038 -6.122 1.00 0.00 H new ATOM 0 HB3 SER A 96 118.025 13.911 -4.836 1.00 0.00 H new ATOM 0 HG SER A 96 118.394 11.623 -4.711 1.00 0.00 H new ATOM 1565 N ASP A 97 115.027 15.669 -5.780 1.00 0.00 N ATOM 1566 CA ASP A 97 114.334 16.365 -6.857 1.00 0.00 C ATOM 1567 C ASP A 97 113.054 15.635 -7.249 1.00 0.00 C ATOM 1568 O ASP A 97 112.599 15.727 -8.389 1.00 0.00 O ATOM 1569 CB ASP A 97 115.250 16.501 -8.075 1.00 0.00 C ATOM 1570 CG ASP A 97 115.252 17.906 -8.644 1.00 0.00 C ATOM 1571 OD1 ASP A 97 115.176 18.868 -7.850 1.00 0.00 O ATOM 1572 OD2 ASP A 97 115.332 18.046 -9.882 1.00 0.00 O ATOM 0 H ASP A 97 115.409 16.282 -5.060 1.00 0.00 H new ATOM 0 HA ASP A 97 114.065 17.358 -6.497 1.00 0.00 H new ATOM 0 HB2 ASP A 97 116.266 16.224 -7.794 1.00 0.00 H new ATOM 0 HB3 ASP A 97 114.930 15.800 -8.846 1.00 0.00 H new ATOM 1577 N VAL A 98 112.476 14.911 -6.296 1.00 0.00 N ATOM 1578 CA VAL A 98 111.248 14.166 -6.543 1.00 0.00 C ATOM 1579 C VAL A 98 110.206 14.452 -5.467 1.00 0.00 C ATOM 1580 O VAL A 98 110.515 14.457 -4.275 1.00 0.00 O ATOM 1581 CB VAL A 98 111.509 12.649 -6.598 1.00 0.00 C ATOM 1582 CG1 VAL A 98 110.987 11.971 -5.340 1.00 0.00 C ATOM 1583 CG2 VAL A 98 110.876 12.042 -7.840 1.00 0.00 C ATOM 0 H VAL A 98 112.838 14.825 -5.346 1.00 0.00 H new ATOM 0 HA VAL A 98 110.869 14.496 -7.510 1.00 0.00 H new ATOM 0 HB VAL A 98 112.586 12.487 -6.651 1.00 0.00 H new ATOM 0 HG11 VAL A 98 111.180 10.900 -5.397 1.00 0.00 H new ATOM 0 HG12 VAL A 98 111.492 12.385 -4.467 1.00 0.00 H new ATOM 0 HG13 VAL A 98 109.914 12.142 -5.253 1.00 0.00 H new ATOM 0 HG21 VAL A 98 111.071 10.970 -7.861 1.00 0.00 H new ATOM 0 HG22 VAL A 98 109.800 12.215 -7.821 1.00 0.00 H new ATOM 0 HG23 VAL A 98 111.302 12.506 -8.729 1.00 0.00 H new ATOM 1593 N PRO A 99 108.954 14.692 -5.879 1.00 0.00 N ATOM 1594 CA PRO A 99 107.856 14.980 -4.952 1.00 0.00 C ATOM 1595 C PRO A 99 107.542 13.794 -4.046 1.00 0.00 C ATOM 1596 O PRO A 99 108.358 12.883 -3.895 1.00 0.00 O ATOM 1597 CB PRO A 99 106.669 15.276 -5.874 1.00 0.00 C ATOM 1598 CG PRO A 99 107.014 14.625 -7.168 1.00 0.00 C ATOM 1599 CD PRO A 99 108.510 14.701 -7.282 1.00 0.00 C ATOM 0 HA PRO A 99 108.100 15.802 -4.278 1.00 0.00 H new ATOM 0 HB2 PRO A 99 105.742 14.874 -5.465 1.00 0.00 H new ATOM 0 HB3 PRO A 99 106.524 16.349 -5.998 1.00 0.00 H new ATOM 0 HG2 PRO A 99 106.673 13.590 -7.187 1.00 0.00 H new ATOM 0 HG3 PRO A 99 106.532 15.135 -8.002 1.00 0.00 H new ATOM 0 HD2 PRO A 99 108.915 13.856 -7.838 1.00 0.00 H new ATOM 0 HD3 PRO A 99 108.829 15.606 -7.800 1.00 0.00 H new ATOM 1607 N TYR A 100 106.358 13.811 -3.443 1.00 0.00 N ATOM 1608 CA TYR A 100 105.942 12.737 -2.550 1.00 0.00 C ATOM 1609 C TYR A 100 104.988 11.777 -3.258 1.00 0.00 C ATOM 1610 O TYR A 100 105.103 10.559 -3.121 1.00 0.00 O ATOM 1611 CB TYR A 100 105.273 13.316 -1.300 1.00 0.00 C ATOM 1612 CG TYR A 100 103.773 13.457 -1.421 1.00 0.00 C ATOM 1613 CD1 TYR A 100 103.210 14.445 -2.219 1.00 0.00 C ATOM 1614 CD2 TYR A 100 102.919 12.599 -0.741 1.00 0.00 C ATOM 1615 CE1 TYR A 100 101.839 14.574 -2.335 1.00 0.00 C ATOM 1616 CE2 TYR A 100 101.549 12.719 -0.852 1.00 0.00 C ATOM 1617 CZ TYR A 100 101.013 13.708 -1.650 1.00 0.00 C ATOM 1618 OH TYR A 100 99.648 13.831 -1.764 1.00 0.00 O ATOM 0 H TYR A 100 105.671 14.556 -3.557 1.00 0.00 H new ATOM 0 HA TYR A 100 106.830 12.180 -2.252 1.00 0.00 H new ATOM 0 HB2 TYR A 100 105.501 12.676 -0.448 1.00 0.00 H new ATOM 0 HB3 TYR A 100 105.705 14.294 -1.088 1.00 0.00 H new ATOM 0 HD1 TYR A 100 103.855 15.124 -2.758 1.00 0.00 H new ATOM 0 HD2 TYR A 100 103.334 11.824 -0.114 1.00 0.00 H new ATOM 0 HE1 TYR A 100 101.417 15.348 -2.958 1.00 0.00 H new ATOM 0 HE2 TYR A 100 100.900 12.042 -0.317 1.00 0.00 H new ATOM 0 HH TYR A 100 99.211 13.143 -1.219 1.00 0.00 H new ATOM 1628 N LYS A 101 104.048 12.334 -4.016 1.00 0.00 N ATOM 1629 CA LYS A 101 103.074 11.530 -4.744 1.00 0.00 C ATOM 1630 C LYS A 101 103.762 10.607 -5.744 1.00 0.00 C ATOM 1631 O LYS A 101 103.302 9.492 -5.993 1.00 0.00 O ATOM 1632 CB LYS A 101 102.077 12.433 -5.471 1.00 0.00 C ATOM 1633 CG LYS A 101 100.632 12.202 -5.058 1.00 0.00 C ATOM 1634 CD LYS A 101 99.822 11.588 -6.187 1.00 0.00 C ATOM 1635 CE LYS A 101 98.336 11.867 -6.022 1.00 0.00 C ATOM 1636 NZ LYS A 101 97.500 10.887 -6.768 1.00 0.00 N ATOM 0 H LYS A 101 103.941 13.341 -4.142 1.00 0.00 H new ATOM 0 HA LYS A 101 102.539 10.915 -4.020 1.00 0.00 H new ATOM 0 HB2 LYS A 101 102.338 13.474 -5.282 1.00 0.00 H new ATOM 0 HB3 LYS A 101 102.169 12.271 -6.545 1.00 0.00 H new ATOM 0 HG2 LYS A 101 100.601 11.546 -4.188 1.00 0.00 H new ATOM 0 HG3 LYS A 101 100.182 13.149 -4.759 1.00 0.00 H new ATOM 0 HD2 LYS A 101 100.165 11.988 -7.141 1.00 0.00 H new ATOM 0 HD3 LYS A 101 99.990 10.511 -6.214 1.00 0.00 H new ATOM 0 HE2 LYS A 101 98.076 11.834 -4.964 1.00 0.00 H new ATOM 0 HE3 LYS A 101 98.115 12.875 -6.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 96.494 11.112 -6.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 97.729 10.935 -7.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 97.692 9.928 -6.415 1.00 0.00 H new ATOM 1650 N VAL A 102 104.866 11.076 -6.315 1.00 0.00 N ATOM 1651 CA VAL A 102 105.613 10.291 -7.289 1.00 0.00 C ATOM 1652 C VAL A 102 106.125 8.993 -6.674 1.00 0.00 C ATOM 1653 O VAL A 102 106.180 7.959 -7.339 1.00 0.00 O ATOM 1654 CB VAL A 102 106.807 11.082 -7.853 1.00 0.00 C ATOM 1655 CG1 VAL A 102 107.856 11.308 -6.775 1.00 0.00 C ATOM 1656 CG2 VAL A 102 107.408 10.363 -9.050 1.00 0.00 C ATOM 0 H VAL A 102 105.263 11.995 -6.120 1.00 0.00 H new ATOM 0 HA VAL A 102 104.924 10.059 -8.101 1.00 0.00 H new ATOM 0 HB VAL A 102 106.448 12.055 -8.187 1.00 0.00 H new ATOM 0 HG11 VAL A 102 108.692 11.869 -7.193 1.00 0.00 H new ATOM 0 HG12 VAL A 102 107.416 11.871 -5.952 1.00 0.00 H new ATOM 0 HG13 VAL A 102 108.212 10.346 -6.407 1.00 0.00 H new ATOM 0 HG21 VAL A 102 108.251 10.938 -9.434 1.00 0.00 H new ATOM 0 HG22 VAL A 102 107.752 9.374 -8.746 1.00 0.00 H new ATOM 0 HG23 VAL A 102 106.653 10.260 -9.830 1.00 0.00 H new ATOM 1666 N ALA A 103 106.500 9.054 -5.400 1.00 0.00 N ATOM 1667 CA ALA A 103 107.010 7.882 -4.699 1.00 0.00 C ATOM 1668 C ALA A 103 105.953 6.788 -4.613 1.00 0.00 C ATOM 1669 O ALA A 103 106.277 5.604 -4.550 1.00 0.00 O ATOM 1670 CB ALA A 103 107.487 8.268 -3.308 1.00 0.00 C ATOM 0 H ALA A 103 106.460 9.901 -4.833 1.00 0.00 H new ATOM 0 HA ALA A 103 107.854 7.489 -5.266 1.00 0.00 H new ATOM 0 HB1 ALA A 103 107.865 7.384 -2.795 1.00 0.00 H new ATOM 0 HB2 ALA A 103 108.282 9.009 -3.389 1.00 0.00 H new ATOM 0 HB3 ALA A 103 106.656 8.688 -2.742 1.00 0.00 H new ATOM 1676 N ILE A 104 104.687 7.195 -4.616 1.00 0.00 N ATOM 1677 CA ILE A 104 103.578 6.249 -4.536 1.00 0.00 C ATOM 1678 C ILE A 104 103.630 5.254 -5.686 1.00 0.00 C ATOM 1679 O ILE A 104 103.304 4.079 -5.523 1.00 0.00 O ATOM 1680 CB ILE A 104 102.216 6.972 -4.568 1.00 0.00 C ATOM 1681 CG1 ILE A 104 101.851 7.487 -3.175 1.00 0.00 C ATOM 1682 CG2 ILE A 104 101.135 6.038 -5.091 1.00 0.00 C ATOM 1683 CD1 ILE A 104 102.966 8.261 -2.506 1.00 0.00 C ATOM 0 H ILE A 104 104.403 8.173 -4.673 1.00 0.00 H new ATOM 0 HA ILE A 104 103.680 5.721 -3.588 1.00 0.00 H new ATOM 0 HB ILE A 104 102.292 7.826 -5.241 1.00 0.00 H new ATOM 0 HG12 ILE A 104 100.971 8.126 -3.252 1.00 0.00 H new ATOM 0 HG13 ILE A 104 101.577 6.641 -2.544 1.00 0.00 H new ATOM 0 HG21 ILE A 104 100.179 6.561 -5.108 1.00 0.00 H new ATOM 0 HG22 ILE A 104 101.390 5.715 -6.100 1.00 0.00 H new ATOM 0 HG23 ILE A 104 101.060 5.167 -4.440 1.00 0.00 H new ATOM 0 HD11 ILE A 104 102.637 8.596 -1.522 1.00 0.00 H new ATOM 0 HD12 ILE A 104 103.840 7.619 -2.397 1.00 0.00 H new ATOM 0 HD13 ILE A 104 103.225 9.127 -3.116 1.00 0.00 H new ATOM 1695 N ASN A 105 104.045 5.738 -6.848 1.00 0.00 N ATOM 1696 CA ASN A 105 104.143 4.896 -8.036 1.00 0.00 C ATOM 1697 C ASN A 105 105.096 3.727 -7.803 1.00 0.00 C ATOM 1698 O ASN A 105 104.938 2.657 -8.392 1.00 0.00 O ATOM 1699 CB ASN A 105 104.614 5.722 -9.235 1.00 0.00 C ATOM 1700 CG ASN A 105 104.154 5.136 -10.555 1.00 0.00 C ATOM 1701 OD1 ASN A 105 103.876 3.941 -10.656 1.00 0.00 O ATOM 1702 ND2 ASN A 105 104.071 5.978 -11.579 1.00 0.00 N ATOM 0 H ASN A 105 104.320 6.709 -6.995 1.00 0.00 H new ATOM 0 HA ASN A 105 103.152 4.494 -8.246 1.00 0.00 H new ATOM 0 HB2 ASN A 105 104.238 6.741 -9.142 1.00 0.00 H new ATOM 0 HB3 ASN A 105 105.702 5.782 -9.227 1.00 0.00 H new ATOM 0 HD21 ASN A 105 103.767 5.641 -12.493 1.00 0.00 H new ATOM 0 HD22 ASN A 105 104.311 6.961 -11.452 1.00 0.00 H new ATOM 1709 N GLU A 106 106.089 3.940 -6.945 1.00 0.00 N ATOM 1710 CA GLU A 106 107.072 2.906 -6.638 1.00 0.00 C ATOM 1711 C GLU A 106 106.438 1.740 -5.884 1.00 0.00 C ATOM 1712 O GLU A 106 106.799 0.583 -6.096 1.00 0.00 O ATOM 1713 CB GLU A 106 108.219 3.495 -5.815 1.00 0.00 C ATOM 1714 CG GLU A 106 109.489 3.724 -6.619 1.00 0.00 C ATOM 1715 CD GLU A 106 110.529 2.646 -6.384 1.00 0.00 C ATOM 1716 OE1 GLU A 106 110.254 1.717 -5.596 1.00 0.00 O ATOM 1717 OE2 GLU A 106 111.618 2.729 -6.990 1.00 0.00 O ATOM 0 H GLU A 106 106.234 4.820 -6.450 1.00 0.00 H new ATOM 0 HA GLU A 106 107.462 2.527 -7.583 1.00 0.00 H new ATOM 0 HB2 GLU A 106 107.896 4.442 -5.383 1.00 0.00 H new ATOM 0 HB3 GLU A 106 108.441 2.825 -4.984 1.00 0.00 H new ATOM 0 HG2 GLU A 106 109.242 3.760 -7.680 1.00 0.00 H new ATOM 0 HG3 GLU A 106 109.911 4.694 -6.357 1.00 0.00 H new ATOM 1724 N ALA A 107 105.490 2.049 -5.004 1.00 0.00 N ATOM 1725 CA ALA A 107 104.810 1.026 -4.223 1.00 0.00 C ATOM 1726 C ALA A 107 104.417 -0.151 -5.104 1.00 0.00 C ATOM 1727 O ALA A 107 104.917 -1.264 -4.937 1.00 0.00 O ATOM 1728 CB ALA A 107 103.580 1.613 -3.549 1.00 0.00 C ATOM 0 H ALA A 107 105.177 3.001 -4.815 1.00 0.00 H new ATOM 0 HA ALA A 107 105.495 0.666 -3.456 1.00 0.00 H new ATOM 0 HB1 ALA A 107 103.079 0.839 -2.968 1.00 0.00 H new ATOM 0 HB2 ALA A 107 103.880 2.426 -2.888 1.00 0.00 H new ATOM 0 HB3 ALA A 107 102.897 1.996 -4.308 1.00 0.00 H new ATOM 1734 N ILE A 108 103.513 0.107 -6.042 1.00 0.00 N ATOM 1735 CA ILE A 108 103.036 -0.924 -6.951 1.00 0.00 C ATOM 1736 C ILE A 108 104.188 -1.709 -7.571 1.00 0.00 C ATOM 1737 O ILE A 108 104.096 -2.923 -7.751 1.00 0.00 O ATOM 1738 CB ILE A 108 102.177 -0.324 -8.081 1.00 0.00 C ATOM 1739 CG1 ILE A 108 101.314 0.819 -7.547 1.00 0.00 C ATOM 1740 CG2 ILE A 108 101.308 -1.401 -8.714 1.00 0.00 C ATOM 1741 CD1 ILE A 108 100.010 0.992 -8.293 1.00 0.00 C ATOM 0 H ILE A 108 103.095 1.025 -6.192 1.00 0.00 H new ATOM 0 HA ILE A 108 102.426 -1.601 -6.353 1.00 0.00 H new ATOM 0 HB ILE A 108 102.841 0.077 -8.847 1.00 0.00 H new ATOM 0 HG12 ILE A 108 101.099 0.640 -6.494 1.00 0.00 H new ATOM 0 HG13 ILE A 108 101.881 1.748 -7.603 1.00 0.00 H new ATOM 0 HG21 ILE A 108 100.707 -0.962 -9.510 1.00 0.00 H new ATOM 0 HG22 ILE A 108 101.943 -2.184 -9.128 1.00 0.00 H new ATOM 0 HG23 ILE A 108 100.651 -1.829 -7.957 1.00 0.00 H new ATOM 0 HD11 ILE A 108 99.450 1.821 -7.860 1.00 0.00 H new ATOM 0 HD12 ILE A 108 100.216 1.203 -9.342 1.00 0.00 H new ATOM 0 HD13 ILE A 108 99.422 0.077 -8.216 1.00 0.00 H new ATOM 1753 N GLU A 109 105.269 -1.011 -7.902 1.00 0.00 N ATOM 1754 CA GLU A 109 106.430 -1.650 -8.509 1.00 0.00 C ATOM 1755 C GLU A 109 107.104 -2.606 -7.529 1.00 0.00 C ATOM 1756 O GLU A 109 107.455 -3.731 -7.887 1.00 0.00 O ATOM 1757 CB GLU A 109 107.427 -0.591 -8.984 1.00 0.00 C ATOM 1758 CG GLU A 109 108.878 -0.982 -8.772 1.00 0.00 C ATOM 1759 CD GLU A 109 109.296 -2.159 -9.630 1.00 0.00 C ATOM 1760 OE1 GLU A 109 108.447 -3.038 -9.888 1.00 0.00 O ATOM 1761 OE2 GLU A 109 110.473 -2.203 -10.046 1.00 0.00 O ATOM 0 H GLU A 109 105.365 -0.005 -7.761 1.00 0.00 H new ATOM 0 HA GLU A 109 106.089 -2.228 -9.368 1.00 0.00 H new ATOM 0 HB2 GLU A 109 107.263 -0.399 -10.044 1.00 0.00 H new ATOM 0 HB3 GLU A 109 107.231 0.343 -8.457 1.00 0.00 H new ATOM 0 HG2 GLU A 109 109.517 -0.128 -8.997 1.00 0.00 H new ATOM 0 HG3 GLU A 109 109.034 -1.229 -7.722 1.00 0.00 H new ATOM 1768 N LEU A 110 107.273 -2.157 -6.290 1.00 0.00 N ATOM 1769 CA LEU A 110 107.899 -2.975 -5.257 1.00 0.00 C ATOM 1770 C LEU A 110 106.936 -4.035 -4.736 1.00 0.00 C ATOM 1771 O LEU A 110 107.269 -4.805 -3.836 1.00 0.00 O ATOM 1772 CB LEU A 110 108.377 -2.089 -4.106 1.00 0.00 C ATOM 1773 CG LEU A 110 109.120 -0.824 -4.532 1.00 0.00 C ATOM 1774 CD1 LEU A 110 109.815 -0.184 -3.339 1.00 0.00 C ATOM 1775 CD2 LEU A 110 110.123 -1.148 -5.626 1.00 0.00 C ATOM 0 H LEU A 110 106.985 -1.230 -5.976 1.00 0.00 H new ATOM 0 HA LEU A 110 108.756 -3.484 -5.699 1.00 0.00 H new ATOM 0 HB2 LEU A 110 107.514 -1.801 -3.506 1.00 0.00 H new ATOM 0 HB3 LEU A 110 109.031 -2.677 -3.462 1.00 0.00 H new ATOM 0 HG LEU A 110 108.396 -0.111 -4.926 1.00 0.00 H new ATOM 0 HD11 LEU A 110 110.339 0.716 -3.663 1.00 0.00 H new ATOM 0 HD12 LEU A 110 109.074 0.079 -2.584 1.00 0.00 H new ATOM 0 HD13 LEU A 110 110.531 -0.888 -2.914 1.00 0.00 H new ATOM 0 HD21 LEU A 110 110.646 -0.238 -5.921 1.00 0.00 H new ATOM 0 HD22 LEU A 110 110.844 -1.877 -5.255 1.00 0.00 H new ATOM 0 HD23 LEU A 110 109.600 -1.562 -6.488 1.00 0.00 H new ATOM 1787 N ALA A 111 105.740 -4.068 -5.310 1.00 0.00 N ATOM 1788 CA ALA A 111 104.728 -5.030 -4.906 1.00 0.00 C ATOM 1789 C ALA A 111 104.256 -5.863 -6.093 1.00 0.00 C ATOM 1790 O ALA A 111 103.395 -6.730 -5.951 1.00 0.00 O ATOM 1791 CB ALA A 111 103.561 -4.307 -4.261 1.00 0.00 C ATOM 0 H ALA A 111 105.449 -3.438 -6.057 1.00 0.00 H new ATOM 0 HA ALA A 111 105.169 -5.712 -4.179 1.00 0.00 H new ATOM 0 HB1 ALA A 111 102.805 -5.032 -3.960 1.00 0.00 H new ATOM 0 HB2 ALA A 111 103.910 -3.762 -3.384 1.00 0.00 H new ATOM 0 HB3 ALA A 111 103.128 -3.606 -4.975 1.00 0.00 H new ATOM 1797 N LYS A 112 104.829 -5.598 -7.265 1.00 0.00 N ATOM 1798 CA LYS A 112 104.467 -6.329 -8.473 1.00 0.00 C ATOM 1799 C LYS A 112 105.639 -7.171 -8.970 1.00 0.00 C ATOM 1800 O LYS A 112 105.522 -7.895 -9.959 1.00 0.00 O ATOM 1801 CB LYS A 112 104.023 -5.358 -9.568 1.00 0.00 C ATOM 1802 CG LYS A 112 102.514 -5.281 -9.735 1.00 0.00 C ATOM 1803 CD LYS A 112 102.130 -4.460 -10.955 1.00 0.00 C ATOM 1804 CE LYS A 112 100.620 -4.373 -11.113 1.00 0.00 C ATOM 1805 NZ LYS A 112 100.209 -4.410 -12.544 1.00 0.00 N ATOM 0 H LYS A 112 105.544 -4.884 -7.402 1.00 0.00 H new ATOM 0 HA LYS A 112 103.639 -6.996 -8.230 1.00 0.00 H new ATOM 0 HB2 LYS A 112 104.406 -4.364 -9.338 1.00 0.00 H new ATOM 0 HB3 LYS A 112 104.470 -5.661 -10.515 1.00 0.00 H new ATOM 0 HG2 LYS A 112 102.105 -6.287 -9.829 1.00 0.00 H new ATOM 0 HG3 LYS A 112 102.070 -4.839 -8.843 1.00 0.00 H new ATOM 0 HD2 LYS A 112 102.546 -3.457 -10.866 1.00 0.00 H new ATOM 0 HD3 LYS A 112 102.566 -4.908 -11.848 1.00 0.00 H new ATOM 0 HE2 LYS A 112 100.151 -5.199 -10.579 1.00 0.00 H new ATOM 0 HE3 LYS A 112 100.259 -3.452 -10.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 99.173 -4.348 -12.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 100.636 -3.607 -13.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 100.531 -5.300 -12.975 1.00 0.00 H new ATOM 1819 N SER A 113 106.768 -7.072 -8.274 1.00 0.00 N ATOM 1820 CA SER A 113 107.964 -7.822 -8.639 1.00 0.00 C ATOM 1821 C SER A 113 108.794 -8.148 -7.402 1.00 0.00 C ATOM 1822 O SER A 113 109.325 -9.251 -7.271 1.00 0.00 O ATOM 1823 CB SER A 113 108.807 -7.024 -9.635 1.00 0.00 C ATOM 1824 OG SER A 113 109.604 -7.882 -10.434 1.00 0.00 O ATOM 0 H SER A 113 106.879 -6.478 -7.452 1.00 0.00 H new ATOM 0 HA SER A 113 107.651 -8.756 -9.105 1.00 0.00 H new ATOM 0 HB2 SER A 113 108.154 -6.430 -10.274 1.00 0.00 H new ATOM 0 HB3 SER A 113 109.447 -6.326 -9.096 1.00 0.00 H new ATOM 0 HG SER A 113 110.131 -7.347 -11.063 1.00 0.00 H new ATOM 1830 N PHE A 114 108.902 -7.179 -6.500 1.00 0.00 N ATOM 1831 CA PHE A 114 109.667 -7.354 -5.271 1.00 0.00 C ATOM 1832 C PHE A 114 108.878 -8.161 -4.243 1.00 0.00 C ATOM 1833 O PHE A 114 109.364 -8.421 -3.141 1.00 0.00 O ATOM 1834 CB PHE A 114 110.042 -5.991 -4.689 1.00 0.00 C ATOM 1835 CG PHE A 114 110.988 -5.208 -5.555 1.00 0.00 C ATOM 1836 CD1 PHE A 114 110.539 -4.595 -6.712 1.00 0.00 C ATOM 1837 CD2 PHE A 114 112.324 -5.086 -5.209 1.00 0.00 C ATOM 1838 CE1 PHE A 114 111.405 -3.873 -7.510 1.00 0.00 C ATOM 1839 CE2 PHE A 114 113.196 -4.365 -6.003 1.00 0.00 C ATOM 1840 CZ PHE A 114 112.736 -3.757 -7.156 1.00 0.00 C ATOM 0 H PHE A 114 108.468 -6.261 -6.597 1.00 0.00 H new ATOM 0 HA PHE A 114 110.576 -7.905 -5.512 1.00 0.00 H new ATOM 0 HB2 PHE A 114 109.134 -5.408 -4.537 1.00 0.00 H new ATOM 0 HB3 PHE A 114 110.495 -6.136 -3.708 1.00 0.00 H new ATOM 0 HD1 PHE A 114 109.500 -4.682 -6.994 1.00 0.00 H new ATOM 0 HD2 PHE A 114 112.688 -5.559 -4.309 1.00 0.00 H new ATOM 0 HE1 PHE A 114 111.042 -3.399 -8.410 1.00 0.00 H new ATOM 0 HE2 PHE A 114 114.235 -4.277 -5.723 1.00 0.00 H new ATOM 0 HZ PHE A 114 113.415 -3.193 -7.779 1.00 0.00 H new ATOM 1850 N GLY A 115 107.661 -8.554 -4.606 1.00 0.00 N ATOM 1851 CA GLY A 115 106.831 -9.326 -3.700 1.00 0.00 C ATOM 1852 C GLY A 115 105.871 -10.245 -4.430 1.00 0.00 C ATOM 1853 O GLY A 115 106.286 -11.237 -5.030 1.00 0.00 O ATOM 0 H GLY A 115 107.235 -8.352 -5.511 1.00 0.00 H new ATOM 0 HA2 GLY A 115 107.469 -9.919 -3.045 1.00 0.00 H new ATOM 0 HA3 GLY A 115 106.265 -8.646 -3.063 1.00 0.00 H new ATOM 1857 N ALA A 116 104.584 -9.916 -4.378 1.00 0.00 N ATOM 1858 CA ALA A 116 103.562 -10.720 -5.038 1.00 0.00 C ATOM 1859 C ALA A 116 102.604 -9.842 -5.837 1.00 0.00 C ATOM 1860 O ALA A 116 102.293 -8.721 -5.435 1.00 0.00 O ATOM 1861 CB ALA A 116 102.796 -11.543 -4.015 1.00 0.00 C ATOM 0 H ALA A 116 104.224 -9.098 -3.886 1.00 0.00 H new ATOM 0 HA ALA A 116 104.060 -11.396 -5.733 1.00 0.00 H new ATOM 0 HB1 ALA A 116 102.036 -12.138 -4.522 1.00 0.00 H new ATOM 0 HB2 ALA A 116 103.485 -12.205 -3.491 1.00 0.00 H new ATOM 0 HB3 ALA A 116 102.316 -10.877 -3.298 1.00 0.00 H new ATOM 1867 N GLU A 117 102.142 -10.358 -6.971 1.00 0.00 N ATOM 1868 CA GLU A 117 101.220 -9.621 -7.827 1.00 0.00 C ATOM 1869 C GLU A 117 99.818 -9.591 -7.226 1.00 0.00 C ATOM 1870 O GLU A 117 99.068 -8.636 -7.426 1.00 0.00 O ATOM 1871 CB GLU A 117 101.174 -10.248 -9.222 1.00 0.00 C ATOM 1872 CG GLU A 117 100.605 -9.325 -10.286 1.00 0.00 C ATOM 1873 CD GLU A 117 100.319 -10.044 -11.590 1.00 0.00 C ATOM 1874 OE1 GLU A 117 100.639 -11.247 -11.687 1.00 0.00 O ATOM 1875 OE2 GLU A 117 99.777 -9.403 -12.514 1.00 0.00 O ATOM 0 H GLU A 117 102.391 -11.284 -7.319 1.00 0.00 H new ATOM 0 HA GLU A 117 101.582 -8.596 -7.906 1.00 0.00 H new ATOM 0 HB2 GLU A 117 102.182 -10.544 -9.511 1.00 0.00 H new ATOM 0 HB3 GLU A 117 100.574 -11.157 -9.183 1.00 0.00 H new ATOM 0 HG2 GLU A 117 99.685 -8.873 -9.915 1.00 0.00 H new ATOM 0 HG3 GLU A 117 101.308 -8.512 -10.470 1.00 0.00 H new ATOM 1882 N ASP A 118 99.471 -10.641 -6.489 1.00 0.00 N ATOM 1883 CA ASP A 118 98.159 -10.733 -5.859 1.00 0.00 C ATOM 1884 C ASP A 118 97.689 -9.362 -5.383 1.00 0.00 C ATOM 1885 O ASP A 118 96.924 -8.686 -6.070 1.00 0.00 O ATOM 1886 CB ASP A 118 98.202 -11.709 -4.682 1.00 0.00 C ATOM 1887 CG ASP A 118 96.872 -11.802 -3.960 1.00 0.00 C ATOM 1888 OD1 ASP A 118 95.974 -12.515 -4.456 1.00 0.00 O ATOM 1889 OD2 ASP A 118 96.729 -11.163 -2.896 1.00 0.00 O ATOM 0 H ASP A 118 100.080 -11.440 -6.313 1.00 0.00 H new ATOM 0 HA ASP A 118 97.451 -11.103 -6.601 1.00 0.00 H new ATOM 0 HB2 ASP A 118 98.486 -12.697 -5.043 1.00 0.00 H new ATOM 0 HB3 ASP A 118 98.973 -11.393 -3.979 1.00 0.00 H new ATOM 1894 N SER A 119 98.151 -8.959 -4.205 1.00 0.00 N ATOM 1895 CA SER A 119 97.781 -7.667 -3.639 1.00 0.00 C ATOM 1896 C SER A 119 98.859 -6.626 -3.919 1.00 0.00 C ATOM 1897 O SER A 119 99.678 -6.317 -3.052 1.00 0.00 O ATOM 1898 CB SER A 119 97.553 -7.792 -2.132 1.00 0.00 C ATOM 1899 OG SER A 119 96.501 -8.697 -1.847 1.00 0.00 O ATOM 0 H SER A 119 98.783 -9.509 -3.623 1.00 0.00 H new ATOM 0 HA SER A 119 96.854 -7.342 -4.111 1.00 0.00 H new ATOM 0 HB2 SER A 119 98.469 -8.132 -1.650 1.00 0.00 H new ATOM 0 HB3 SER A 119 97.317 -6.813 -1.715 1.00 0.00 H new ATOM 0 HG SER A 119 96.715 -9.576 -2.223 1.00 0.00 H new ATOM 1905 N HIS A 120 98.857 -6.092 -5.135 1.00 0.00 N ATOM 1906 CA HIS A 120 99.839 -5.089 -5.531 1.00 0.00 C ATOM 1907 C HIS A 120 99.251 -3.683 -5.458 1.00 0.00 C ATOM 1908 O HIS A 120 99.902 -2.753 -4.986 1.00 0.00 O ATOM 1909 CB HIS A 120 100.341 -5.370 -6.949 1.00 0.00 C ATOM 1910 CG HIS A 120 99.297 -5.168 -8.004 1.00 0.00 C ATOM 1911 ND1 HIS A 120 98.632 -6.211 -8.614 1.00 0.00 N ATOM 1912 CD2 HIS A 120 98.802 -4.035 -8.556 1.00 0.00 C ATOM 1913 CE1 HIS A 120 97.775 -5.727 -9.496 1.00 0.00 C ATOM 1914 NE2 HIS A 120 97.859 -4.411 -9.480 1.00 0.00 N ATOM 0 H HIS A 120 98.187 -6.337 -5.864 1.00 0.00 H new ATOM 0 HA HIS A 120 100.676 -5.146 -4.835 1.00 0.00 H new ATOM 0 HB2 HIS A 120 101.190 -4.720 -7.161 1.00 0.00 H new ATOM 0 HB3 HIS A 120 100.704 -6.396 -7.000 1.00 0.00 H new ATOM 0 HD1 HIS A 120 98.779 -7.201 -8.416 1.00 0.00 H new ATOM 0 HD2 HIS A 120 99.095 -3.024 -8.314 1.00 0.00 H new ATOM 0 HE1 HIS A 120 97.117 -6.310 -10.123 1.00 0.00 H new ATOM 1923 N LYS A 121 98.019 -3.534 -5.933 1.00 0.00 N ATOM 1924 CA LYS A 121 97.350 -2.239 -5.925 1.00 0.00 C ATOM 1925 C LYS A 121 97.217 -1.696 -4.504 1.00 0.00 C ATOM 1926 O LYS A 121 97.369 -0.496 -4.271 1.00 0.00 O ATOM 1927 CB LYS A 121 95.967 -2.352 -6.569 1.00 0.00 C ATOM 1928 CG LYS A 121 95.712 -1.312 -7.648 1.00 0.00 C ATOM 1929 CD LYS A 121 95.143 -0.029 -7.062 1.00 0.00 C ATOM 1930 CE LYS A 121 93.770 0.282 -7.631 1.00 0.00 C ATOM 1931 NZ LYS A 121 93.818 0.521 -9.101 1.00 0.00 N ATOM 0 H LYS A 121 97.464 -4.293 -6.328 1.00 0.00 H new ATOM 0 HA LYS A 121 97.960 -1.544 -6.502 1.00 0.00 H new ATOM 0 HB2 LYS A 121 95.857 -3.347 -7.001 1.00 0.00 H new ATOM 0 HB3 LYS A 121 95.206 -2.255 -5.795 1.00 0.00 H new ATOM 0 HG2 LYS A 121 96.643 -1.093 -8.171 1.00 0.00 H new ATOM 0 HG3 LYS A 121 95.019 -1.715 -8.386 1.00 0.00 H new ATOM 0 HD2 LYS A 121 95.076 -0.121 -5.978 1.00 0.00 H new ATOM 0 HD3 LYS A 121 95.820 0.799 -7.270 1.00 0.00 H new ATOM 0 HE2 LYS A 121 93.094 -0.546 -7.420 1.00 0.00 H new ATOM 0 HE3 LYS A 121 93.362 1.162 -7.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 92.988 1.077 -9.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 94.685 1.044 -9.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 93.815 -0.391 -9.601 1.00 0.00 H new ATOM 1945 N PHE A 122 96.934 -2.585 -3.558 1.00 0.00 N ATOM 1946 CA PHE A 122 96.778 -2.193 -2.163 1.00 0.00 C ATOM 1947 C PHE A 122 98.046 -1.529 -1.639 1.00 0.00 C ATOM 1948 O PHE A 122 97.987 -0.624 -0.807 1.00 0.00 O ATOM 1949 CB PHE A 122 96.434 -3.411 -1.304 1.00 0.00 C ATOM 1950 CG PHE A 122 95.349 -4.271 -1.889 1.00 0.00 C ATOM 1951 CD1 PHE A 122 94.019 -4.029 -1.588 1.00 0.00 C ATOM 1952 CD2 PHE A 122 95.662 -5.320 -2.739 1.00 0.00 C ATOM 1953 CE1 PHE A 122 93.019 -4.818 -2.126 1.00 0.00 C ATOM 1954 CE2 PHE A 122 94.666 -6.112 -3.278 1.00 0.00 C ATOM 1955 CZ PHE A 122 93.343 -5.861 -2.971 1.00 0.00 C ATOM 0 H PHE A 122 96.808 -3.582 -3.732 1.00 0.00 H new ATOM 0 HA PHE A 122 95.962 -1.473 -2.104 1.00 0.00 H new ATOM 0 HB2 PHE A 122 97.331 -4.015 -1.168 1.00 0.00 H new ATOM 0 HB3 PHE A 122 96.125 -3.072 -0.315 1.00 0.00 H new ATOM 0 HD1 PHE A 122 93.760 -3.216 -0.926 1.00 0.00 H new ATOM 0 HD2 PHE A 122 96.695 -5.521 -2.983 1.00 0.00 H new ATOM 0 HE1 PHE A 122 91.985 -4.619 -1.885 1.00 0.00 H new ATOM 0 HE2 PHE A 122 94.922 -6.927 -3.939 1.00 0.00 H new ATOM 0 HZ PHE A 122 92.563 -6.479 -3.391 1.00 0.00 H new ATOM 1965 N VAL A 123 99.192 -1.981 -2.133 1.00 0.00 N ATOM 1966 CA VAL A 123 100.474 -1.427 -1.716 1.00 0.00 C ATOM 1967 C VAL A 123 100.560 0.059 -2.040 1.00 0.00 C ATOM 1968 O VAL A 123 101.082 0.849 -1.256 1.00 0.00 O ATOM 1969 CB VAL A 123 101.654 -2.154 -2.385 1.00 0.00 C ATOM 1970 CG1 VAL A 123 101.330 -3.625 -2.592 1.00 0.00 C ATOM 1971 CG2 VAL A 123 102.022 -1.488 -3.703 1.00 0.00 C ATOM 0 H VAL A 123 99.260 -2.729 -2.823 1.00 0.00 H new ATOM 0 HA VAL A 123 100.539 -1.569 -0.637 1.00 0.00 H new ATOM 0 HB VAL A 123 102.516 -2.087 -1.722 1.00 0.00 H new ATOM 0 HG11 VAL A 123 102.177 -4.121 -3.066 1.00 0.00 H new ATOM 0 HG12 VAL A 123 101.129 -4.092 -1.628 1.00 0.00 H new ATOM 0 HG13 VAL A 123 100.451 -3.718 -3.230 1.00 0.00 H new ATOM 0 HG21 VAL A 123 102.858 -2.019 -4.158 1.00 0.00 H new ATOM 0 HG22 VAL A 123 101.165 -1.516 -4.376 1.00 0.00 H new ATOM 0 HG23 VAL A 123 102.306 -0.452 -3.520 1.00 0.00 H new ATOM 1981 N ASN A 124 100.048 0.434 -3.203 1.00 0.00 N ATOM 1982 CA ASN A 124 100.074 1.827 -3.630 1.00 0.00 C ATOM 1983 C ASN A 124 99.406 2.724 -2.595 1.00 0.00 C ATOM 1984 O ASN A 124 99.918 3.794 -2.263 1.00 0.00 O ATOM 1985 CB ASN A 124 99.373 1.981 -4.980 1.00 0.00 C ATOM 1986 CG ASN A 124 99.889 3.170 -5.767 1.00 0.00 C ATOM 1987 OD1 ASN A 124 100.994 3.137 -6.311 1.00 0.00 O ATOM 1988 ND2 ASN A 124 99.093 4.230 -5.829 1.00 0.00 N ATOM 0 H ASN A 124 99.610 -0.204 -3.867 1.00 0.00 H new ATOM 0 HA ASN A 124 101.116 2.131 -3.732 1.00 0.00 H new ATOM 0 HB2 ASN A 124 99.514 1.072 -5.565 1.00 0.00 H new ATOM 0 HB3 ASN A 124 98.301 2.093 -4.819 1.00 0.00 H new ATOM 0 HD21 ASN A 124 99.389 5.060 -6.342 1.00 0.00 H new ATOM 0 HD22 ASN A 124 98.186 4.214 -5.364 1.00 0.00 H new ATOM 1995 N GLY A 125 98.265 2.279 -2.082 1.00 0.00 N ATOM 1996 CA GLY A 125 97.549 3.062 -1.097 1.00 0.00 C ATOM 1997 C GLY A 125 98.366 3.307 0.152 1.00 0.00 C ATOM 1998 O GLY A 125 98.275 4.376 0.758 1.00 0.00 O ATOM 0 H GLY A 125 97.825 1.393 -2.330 1.00 0.00 H new ATOM 0 HA2 GLY A 125 97.264 4.019 -1.535 1.00 0.00 H new ATOM 0 HA3 GLY A 125 96.626 2.547 -0.829 1.00 0.00 H new ATOM 2002 N VAL A 126 99.183 2.332 0.537 1.00 0.00 N ATOM 2003 CA VAL A 126 100.021 2.482 1.717 1.00 0.00 C ATOM 2004 C VAL A 126 100.934 3.686 1.561 1.00 0.00 C ATOM 2005 O VAL A 126 101.129 4.458 2.500 1.00 0.00 O ATOM 2006 CB VAL A 126 100.886 1.236 1.983 1.00 0.00 C ATOM 2007 CG1 VAL A 126 100.197 -0.025 1.482 1.00 0.00 C ATOM 2008 CG2 VAL A 126 102.262 1.404 1.349 1.00 0.00 C ATOM 0 H VAL A 126 99.281 1.439 0.054 1.00 0.00 H new ATOM 0 HA VAL A 126 99.350 2.619 2.565 1.00 0.00 H new ATOM 0 HB VAL A 126 101.017 1.130 3.060 1.00 0.00 H new ATOM 0 HG11 VAL A 126 100.830 -0.890 1.683 1.00 0.00 H new ATOM 0 HG12 VAL A 126 99.243 -0.147 1.995 1.00 0.00 H new ATOM 0 HG13 VAL A 126 100.024 0.057 0.409 1.00 0.00 H new ATOM 0 HG21 VAL A 126 102.864 0.516 1.544 1.00 0.00 H new ATOM 0 HG22 VAL A 126 102.153 1.539 0.273 1.00 0.00 H new ATOM 0 HG23 VAL A 126 102.755 2.277 1.776 1.00 0.00 H new ATOM 2018 N LEU A 127 101.485 3.848 0.362 1.00 0.00 N ATOM 2019 CA LEU A 127 102.367 4.968 0.083 1.00 0.00 C ATOM 2020 C LEU A 127 101.578 6.267 0.064 1.00 0.00 C ATOM 2021 O LEU A 127 102.096 7.327 0.414 1.00 0.00 O ATOM 2022 CB LEU A 127 103.104 4.761 -1.239 1.00 0.00 C ATOM 2023 CG LEU A 127 104.590 4.429 -1.090 1.00 0.00 C ATOM 2024 CD1 LEU A 127 105.305 4.574 -2.421 1.00 0.00 C ATOM 2025 CD2 LEU A 127 105.232 5.325 -0.042 1.00 0.00 C ATOM 0 H LEU A 127 101.335 3.219 -0.427 1.00 0.00 H new ATOM 0 HA LEU A 127 103.112 5.028 0.876 1.00 0.00 H new ATOM 0 HB2 LEU A 127 102.618 3.956 -1.790 1.00 0.00 H new ATOM 0 HB3 LEU A 127 103.005 5.664 -1.841 1.00 0.00 H new ATOM 0 HG LEU A 127 104.680 3.393 -0.762 1.00 0.00 H new ATOM 0 HD11 LEU A 127 106.361 4.334 -2.295 1.00 0.00 H new ATOM 0 HD12 LEU A 127 104.862 3.893 -3.148 1.00 0.00 H new ATOM 0 HD13 LEU A 127 105.206 5.599 -2.777 1.00 0.00 H new ATOM 0 HD21 LEU A 127 106.289 5.076 0.052 1.00 0.00 H new ATOM 0 HD22 LEU A 127 105.130 6.368 -0.343 1.00 0.00 H new ATOM 0 HD23 LEU A 127 104.737 5.175 0.918 1.00 0.00 H new ATOM 2037 N ASP A 128 100.314 6.175 -0.338 1.00 0.00 N ATOM 2038 CA ASP A 128 99.449 7.343 -0.390 1.00 0.00 C ATOM 2039 C ASP A 128 99.295 7.934 1.003 1.00 0.00 C ATOM 2040 O ASP A 128 99.367 9.146 1.184 1.00 0.00 O ATOM 2041 CB ASP A 128 98.079 6.970 -0.959 1.00 0.00 C ATOM 2042 CG ASP A 128 97.898 7.441 -2.388 1.00 0.00 C ATOM 2043 OD1 ASP A 128 97.583 8.634 -2.584 1.00 0.00 O ATOM 2044 OD2 ASP A 128 98.071 6.618 -3.311 1.00 0.00 O ATOM 0 H ASP A 128 99.869 5.305 -0.631 1.00 0.00 H new ATOM 0 HA ASP A 128 99.903 8.087 -1.045 1.00 0.00 H new ATOM 0 HB2 ASP A 128 97.954 5.888 -0.918 1.00 0.00 H new ATOM 0 HB3 ASP A 128 97.299 7.405 -0.335 1.00 0.00 H new ATOM 2049 N LYS A 129 99.086 7.065 1.985 1.00 0.00 N ATOM 2050 CA LYS A 129 98.937 7.493 3.370 1.00 0.00 C ATOM 2051 C LYS A 129 100.297 7.780 4.011 1.00 0.00 C ATOM 2052 O LYS A 129 100.456 8.759 4.741 1.00 0.00 O ATOM 2053 CB LYS A 129 98.197 6.425 4.178 1.00 0.00 C ATOM 2054 CG LYS A 129 97.006 5.826 3.447 1.00 0.00 C ATOM 2055 CD LYS A 129 95.809 6.763 3.472 1.00 0.00 C ATOM 2056 CE LYS A 129 94.560 6.083 2.936 1.00 0.00 C ATOM 2057 NZ LYS A 129 93.427 6.160 3.899 1.00 0.00 N ATOM 0 H LYS A 129 99.016 6.057 1.847 1.00 0.00 H new ATOM 0 HA LYS A 129 98.356 8.415 3.374 1.00 0.00 H new ATOM 0 HB2 LYS A 129 98.894 5.627 4.434 1.00 0.00 H new ATOM 0 HB3 LYS A 129 97.855 6.863 5.116 1.00 0.00 H new ATOM 0 HG2 LYS A 129 97.281 5.613 2.414 1.00 0.00 H new ATOM 0 HG3 LYS A 129 96.735 4.876 3.907 1.00 0.00 H new ATOM 0 HD2 LYS A 129 95.631 7.101 4.493 1.00 0.00 H new ATOM 0 HD3 LYS A 129 96.027 7.649 2.876 1.00 0.00 H new ATOM 0 HE2 LYS A 129 94.269 6.550 1.995 1.00 0.00 H new ATOM 0 HE3 LYS A 129 94.781 5.038 2.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 92.595 5.685 3.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 93.695 5.692 4.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 93.199 7.157 4.087 1.00 0.00 H new ATOM 2071 N ALA A 130 101.267 6.903 3.747 1.00 0.00 N ATOM 2072 CA ALA A 130 102.609 7.036 4.315 1.00 0.00 C ATOM 2073 C ALA A 130 103.405 8.189 3.700 1.00 0.00 C ATOM 2074 O ALA A 130 104.098 8.919 4.407 1.00 0.00 O ATOM 2075 CB ALA A 130 103.373 5.732 4.140 1.00 0.00 C ATOM 0 H ALA A 130 101.147 6.091 3.142 1.00 0.00 H new ATOM 0 HA ALA A 130 102.486 7.263 5.374 1.00 0.00 H new ATOM 0 HB1 ALA A 130 104.372 5.836 4.564 1.00 0.00 H new ATOM 0 HB2 ALA A 130 102.843 4.928 4.651 1.00 0.00 H new ATOM 0 HB3 ALA A 130 103.452 5.496 3.079 1.00 0.00 H new ATOM 2081 N ALA A 131 103.320 8.334 2.383 1.00 0.00 N ATOM 2082 CA ALA A 131 104.053 9.383 1.677 1.00 0.00 C ATOM 2083 C ALA A 131 103.828 10.755 2.305 1.00 0.00 C ATOM 2084 O ALA A 131 104.777 11.419 2.723 1.00 0.00 O ATOM 2085 CB ALA A 131 103.661 9.394 0.207 1.00 0.00 C ATOM 0 H ALA A 131 102.751 7.739 1.780 1.00 0.00 H new ATOM 0 HA ALA A 131 105.117 9.161 1.761 1.00 0.00 H new ATOM 0 HB1 ALA A 131 104.212 10.179 -0.311 1.00 0.00 H new ATOM 0 HB2 ALA A 131 103.898 8.429 -0.240 1.00 0.00 H new ATOM 0 HB3 ALA A 131 102.591 9.582 0.117 1.00 0.00 H new ATOM 2091 N PRO A 132 102.566 11.197 2.375 1.00 0.00 N ATOM 2092 CA PRO A 132 102.198 12.501 2.953 1.00 0.00 C ATOM 2093 C PRO A 132 102.567 12.619 4.428 1.00 0.00 C ATOM 2094 O PRO A 132 101.717 12.905 5.271 1.00 0.00 O ATOM 2095 CB PRO A 132 100.675 12.541 2.782 1.00 0.00 C ATOM 2096 CG PRO A 132 100.281 11.111 2.660 1.00 0.00 C ATOM 2097 CD PRO A 132 101.392 10.465 1.896 1.00 0.00 C ATOM 0 HA PRO A 132 102.725 13.322 2.467 1.00 0.00 H new ATOM 0 HB2 PRO A 132 100.191 13.015 3.636 1.00 0.00 H new ATOM 0 HB3 PRO A 132 100.389 13.109 1.897 1.00 0.00 H new ATOM 0 HG2 PRO A 132 100.157 10.651 3.640 1.00 0.00 H new ATOM 0 HG3 PRO A 132 99.330 11.007 2.137 1.00 0.00 H new ATOM 0 HD2 PRO A 132 101.464 9.398 2.107 1.00 0.00 H new ATOM 0 HD3 PRO A 132 101.259 10.569 0.819 1.00 0.00 H new ATOM 2105 N VAL A 133 103.840 12.404 4.730 1.00 0.00 N ATOM 2106 CA VAL A 133 104.337 12.492 6.096 1.00 0.00 C ATOM 2107 C VAL A 133 105.721 13.126 6.113 1.00 0.00 C ATOM 2108 O VAL A 133 105.911 14.215 6.656 1.00 0.00 O ATOM 2109 CB VAL A 133 104.408 11.107 6.760 1.00 0.00 C ATOM 2110 CG1 VAL A 133 105.323 11.140 7.973 1.00 0.00 C ATOM 2111 CG2 VAL A 133 103.016 10.627 7.147 1.00 0.00 C ATOM 0 H VAL A 133 104.553 12.165 4.041 1.00 0.00 H new ATOM 0 HA VAL A 133 103.639 13.111 6.659 1.00 0.00 H new ATOM 0 HB VAL A 133 104.824 10.402 6.040 1.00 0.00 H new ATOM 0 HG11 VAL A 133 105.359 10.150 8.428 1.00 0.00 H new ATOM 0 HG12 VAL A 133 106.326 11.435 7.664 1.00 0.00 H new ATOM 0 HG13 VAL A 133 104.941 11.859 8.698 1.00 0.00 H new ATOM 0 HG21 VAL A 133 103.087 9.645 7.615 1.00 0.00 H new ATOM 0 HG22 VAL A 133 102.570 11.332 7.848 1.00 0.00 H new ATOM 0 HG23 VAL A 133 102.393 10.559 6.255 1.00 0.00 H new ATOM 2121 N ILE A 134 106.683 12.444 5.499 1.00 0.00 N ATOM 2122 CA ILE A 134 108.045 12.940 5.425 1.00 0.00 C ATOM 2123 C ILE A 134 108.086 14.265 4.673 1.00 0.00 C ATOM 2124 O ILE A 134 109.028 15.045 4.812 1.00 0.00 O ATOM 2125 CB ILE A 134 108.961 11.930 4.711 1.00 0.00 C ATOM 2126 CG1 ILE A 134 109.611 10.993 5.730 1.00 0.00 C ATOM 2127 CG2 ILE A 134 110.018 12.665 3.904 1.00 0.00 C ATOM 2128 CD1 ILE A 134 108.617 10.285 6.619 1.00 0.00 C ATOM 0 H ILE A 134 106.539 11.542 5.045 1.00 0.00 H new ATOM 0 HA ILE A 134 108.401 13.085 6.445 1.00 0.00 H new ATOM 0 HB ILE A 134 108.362 11.329 4.028 1.00 0.00 H new ATOM 0 HG12 ILE A 134 110.206 10.249 5.200 1.00 0.00 H new ATOM 0 HG13 ILE A 134 110.298 11.566 6.352 1.00 0.00 H new ATOM 0 HG21 ILE A 134 110.661 11.942 3.403 1.00 0.00 H new ATOM 0 HG22 ILE A 134 109.533 13.297 3.160 1.00 0.00 H new ATOM 0 HG23 ILE A 134 110.619 13.284 4.570 1.00 0.00 H new ATOM 0 HD11 ILE A 134 109.149 9.638 7.316 1.00 0.00 H new ATOM 0 HD12 ILE A 134 108.039 11.022 7.177 1.00 0.00 H new ATOM 0 HD13 ILE A 134 107.945 9.684 6.007 1.00 0.00 H new ATOM 2140 N ARG A 135 107.049 14.509 3.877 1.00 0.00 N ATOM 2141 CA ARG A 135 106.947 15.736 3.098 1.00 0.00 C ATOM 2142 C ARG A 135 105.492 16.182 2.994 1.00 0.00 C ATOM 2143 O ARG A 135 104.716 15.633 2.212 1.00 0.00 O ATOM 2144 CB ARG A 135 107.531 15.529 1.699 1.00 0.00 C ATOM 2145 CG ARG A 135 107.614 16.808 0.881 1.00 0.00 C ATOM 2146 CD ARG A 135 106.910 16.660 -0.458 1.00 0.00 C ATOM 2147 NE ARG A 135 107.530 17.477 -1.497 1.00 0.00 N ATOM 2148 CZ ARG A 135 108.537 17.061 -2.259 1.00 0.00 C ATOM 2149 NH1 ARG A 135 109.039 15.844 -2.094 1.00 0.00 N ATOM 2150 NH2 ARG A 135 109.045 17.862 -3.185 1.00 0.00 N ATOM 0 H ARG A 135 106.264 13.869 3.755 1.00 0.00 H new ATOM 0 HA ARG A 135 107.517 16.514 3.606 1.00 0.00 H new ATOM 0 HB2 ARG A 135 108.529 15.100 1.790 1.00 0.00 H new ATOM 0 HB3 ARG A 135 106.920 14.803 1.163 1.00 0.00 H new ATOM 0 HG2 ARG A 135 107.165 17.629 1.440 1.00 0.00 H new ATOM 0 HG3 ARG A 135 108.660 17.069 0.717 1.00 0.00 H new ATOM 0 HD2 ARG A 135 106.927 15.613 -0.762 1.00 0.00 H new ATOM 0 HD3 ARG A 135 105.863 16.944 -0.350 1.00 0.00 H new ATOM 0 HE ARG A 135 107.171 18.420 -1.647 1.00 0.00 H new ATOM 0 HH11 ARG A 135 108.652 15.225 -1.381 1.00 0.00 H new ATOM 0 HH12 ARG A 135 109.812 15.527 -2.680 1.00 0.00 H new ATOM 0 HH21 ARG A 135 108.663 18.799 -3.314 1.00 0.00 H new ATOM 0 HH22 ARG A 135 109.818 17.541 -3.769 1.00 0.00 H new ATOM 2164 N PRO A 136 105.106 17.186 3.793 1.00 0.00 N ATOM 2165 CA PRO A 136 103.739 17.716 3.807 1.00 0.00 C ATOM 2166 C PRO A 136 103.462 18.643 2.629 1.00 0.00 C ATOM 2167 O PRO A 136 102.864 19.707 2.791 1.00 0.00 O ATOM 2168 CB PRO A 136 103.690 18.495 5.120 1.00 0.00 C ATOM 2169 CG PRO A 136 105.092 18.950 5.336 1.00 0.00 C ATOM 2170 CD PRO A 136 105.978 17.880 4.754 1.00 0.00 C ATOM 0 HA PRO A 136 102.990 16.928 3.727 1.00 0.00 H new ATOM 0 HB2 PRO A 136 103.004 19.340 5.055 1.00 0.00 H new ATOM 0 HB3 PRO A 136 103.345 17.867 5.942 1.00 0.00 H new ATOM 0 HG2 PRO A 136 105.269 19.909 4.849 1.00 0.00 H new ATOM 0 HG3 PRO A 136 105.296 19.089 6.398 1.00 0.00 H new ATOM 0 HD2 PRO A 136 106.853 18.308 4.264 1.00 0.00 H new ATOM 0 HD3 PRO A 136 106.344 17.201 5.524 1.00 0.00 H new ATOM 2178 N ASN A 137 103.897 18.232 1.445 1.00 0.00 N ATOM 2179 CA ASN A 137 103.695 19.025 0.238 1.00 0.00 C ATOM 2180 C ASN A 137 103.029 18.193 -0.854 1.00 0.00 C ATOM 2181 O ASN A 137 103.069 16.964 -0.823 1.00 0.00 O ATOM 2182 CB ASN A 137 105.031 19.573 -0.266 1.00 0.00 C ATOM 2183 CG ASN A 137 105.874 20.160 0.848 1.00 0.00 C ATOM 2184 OD1 ASN A 137 105.364 20.498 1.916 1.00 0.00 O ATOM 2185 ND2 ASN A 137 107.174 20.282 0.605 1.00 0.00 N ATOM 0 H ASN A 137 104.393 17.353 1.294 1.00 0.00 H new ATOM 0 HA ASN A 137 103.038 19.859 0.486 1.00 0.00 H new ATOM 0 HB2 ASN A 137 105.587 18.773 -0.755 1.00 0.00 H new ATOM 0 HB3 ASN A 137 104.845 20.339 -1.019 1.00 0.00 H new ATOM 0 HD21 ASN A 137 107.792 20.669 1.318 1.00 0.00 H new ATOM 0 HD22 ASN A 137 107.554 19.989 -0.295 1.00 0.00 H new ATOM 2192 N LYS A 138 102.417 18.874 -1.817 1.00 0.00 N ATOM 2193 CA LYS A 138 101.743 18.197 -2.919 1.00 0.00 C ATOM 2194 C LYS A 138 102.629 18.163 -4.160 1.00 0.00 C ATOM 2195 O LYS A 138 102.336 17.456 -5.125 1.00 0.00 O ATOM 2196 CB LYS A 138 100.421 18.897 -3.242 1.00 0.00 C ATOM 2197 CG LYS A 138 100.430 20.386 -2.936 1.00 0.00 C ATOM 2198 CD LYS A 138 100.141 20.654 -1.469 1.00 0.00 C ATOM 2199 CE LYS A 138 98.653 20.563 -1.168 1.00 0.00 C ATOM 2200 NZ LYS A 138 98.119 21.837 -0.612 1.00 0.00 N ATOM 0 H LYS A 138 102.374 19.892 -1.857 1.00 0.00 H new ATOM 0 HA LYS A 138 101.539 17.171 -2.612 1.00 0.00 H new ATOM 0 HB2 LYS A 138 100.192 18.753 -4.298 1.00 0.00 H new ATOM 0 HB3 LYS A 138 99.620 18.423 -2.674 1.00 0.00 H new ATOM 0 HG2 LYS A 138 101.400 20.807 -3.200 1.00 0.00 H new ATOM 0 HG3 LYS A 138 99.686 20.890 -3.553 1.00 0.00 H new ATOM 0 HD2 LYS A 138 100.682 19.936 -0.853 1.00 0.00 H new ATOM 0 HD3 LYS A 138 100.508 21.645 -1.200 1.00 0.00 H new ATOM 0 HE2 LYS A 138 98.113 20.311 -2.081 1.00 0.00 H new ATOM 0 HE3 LYS A 138 98.475 19.755 -0.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 97.102 21.733 -0.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 98.616 22.065 0.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 98.265 22.604 -1.299 1.00 0.00 H new ATOM 2214 N LYS A 139 103.714 18.930 -4.129 1.00 0.00 N ATOM 2215 CA LYS A 139 104.643 18.986 -5.251 1.00 0.00 C ATOM 2216 C LYS A 139 106.043 19.364 -4.779 1.00 0.00 C ATOM 2217 O LYS A 139 106.239 19.491 -3.552 1.00 0.00 O ATOM 2218 CB LYS A 139 104.155 19.993 -6.294 1.00 0.00 C ATOM 2219 CG LYS A 139 103.426 19.352 -7.464 1.00 0.00 C ATOM 2220 CD LYS A 139 102.823 20.399 -8.386 1.00 0.00 C ATOM 2221 CE LYS A 139 103.725 21.616 -8.511 1.00 0.00 C ATOM 2222 NZ LYS A 139 103.425 22.407 -9.737 1.00 0.00 N ATOM 2223 OXT LYS A 139 106.933 19.528 -5.640 1.00 0.00 O ATOM 0 H LYS A 139 103.971 19.521 -3.339 1.00 0.00 H new ATOM 0 HA LYS A 139 104.687 17.996 -5.704 1.00 0.00 H new ATOM 0 HB2 LYS A 139 103.491 20.710 -5.812 1.00 0.00 H new ATOM 0 HB3 LYS A 139 105.009 20.554 -6.672 1.00 0.00 H new ATOM 0 HG2 LYS A 139 104.119 18.726 -8.027 1.00 0.00 H new ATOM 0 HG3 LYS A 139 102.638 18.699 -7.089 1.00 0.00 H new ATOM 0 HD2 LYS A 139 102.657 19.965 -9.372 1.00 0.00 H new ATOM 0 HD3 LYS A 139 101.849 20.704 -8.004 1.00 0.00 H new ATOM 0 HE2 LYS A 139 103.604 22.249 -7.632 1.00 0.00 H new ATOM 0 HE3 LYS A 139 104.767 21.295 -8.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 104.062 23.228 -9.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 103.565 21.811 -10.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 102.439 22.735 -9.706 1.00 0.00 H new TER 2237 LYS A 139