USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 658 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 Single : A 1 SER N :NH3+ -128:sc= 0.092 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.151 USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 168:sc=-0.00529 (180deg=-0.127) USER MOD Single : A 12 ASN : amide:sc= -0.26 X(o=-0.26,f=0) USER MOD Single : A 14 THR OG1 : rot 38:sc= 0.518 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.788 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0.439 K(o=0.44,f=-3.2) USER MOD Single : A 26 LYS NZ :NH3+ -167:sc= 0.894 (180deg=0.769) USER MOD Single : A 29 GLN : amide:sc= 0.15 X(o=0.15,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot -128:sc= 0.589 USER MOD Single : A 32 HIS : no HD1:sc=-0.00448 X(o=-0.0045,f=0) USER MOD Single : A 33 TYR OH : rot 130:sc= 0.0903 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 44 MET CE :methyl 165:sc= -0.0314 (180deg=-0.386) USER MOD Single : A 46 THR OG1 : rot -71:sc= 0.835 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.104 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 58 GLN : amide:sc= -0.144 K(o=-0.14,f=-1.4) USER MOD Single : A 59 ASN : amide:sc= 0.601 K(o=0.6,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 171:sc=-0.00956 (180deg=-0.112) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 21.343 27.555 2.258 1.00 55.15 N ATOM 2 CA SER A 1 22.501 27.850 3.157 1.00 42.20 C ATOM 3 C SER A 1 23.828 27.824 2.355 1.00 45.01 C ATOM 4 O SER A 1 23.803 27.848 1.119 1.00 41.35 O ATOM 5 CB SER A 1 22.521 26.820 4.318 1.00 50.21 C ATOM 6 OG SER A 1 23.531 27.116 5.276 1.00 22.14 O ATOM 0 H1 SER A 1 20.621 28.296 2.367 1.00 55.15 H new ATOM 0 H2 SER A 1 21.668 27.531 1.270 1.00 55.15 H new ATOM 0 H3 SER A 1 20.934 26.633 2.510 1.00 55.15 H new ATOM 0 HA SER A 1 22.394 28.849 3.579 1.00 42.20 H new ATOM 0 HB2 SER A 1 21.548 26.808 4.809 1.00 50.21 H new ATOM 0 HB3 SER A 1 22.686 25.821 3.914 1.00 50.21 H new ATOM 0 HG SER A 1 23.510 26.446 5.991 1.00 22.14 H new ATOM 14 N HIS A 2 24.984 27.808 3.061 1.00 41.51 N ATOM 15 CA HIS A 2 26.326 27.687 2.432 1.00 32.05 C ATOM 16 C HIS A 2 26.438 26.383 1.594 1.00 33.10 C ATOM 17 O HIS A 2 25.998 25.317 2.046 1.00 64.01 O ATOM 18 CB HIS A 2 27.429 27.733 3.516 1.00 21.32 C ATOM 19 CG HIS A 2 27.390 28.975 4.377 1.00 10.33 C ATOM 20 ND1 HIS A 2 26.826 28.999 5.638 1.00 32.03 N ATOM 21 CD2 HIS A 2 27.833 30.240 4.150 1.00 44.43 C ATOM 22 CE1 HIS A 2 26.930 30.209 6.147 1.00 64.24 C ATOM 23 NE2 HIS A 2 27.536 30.980 5.270 1.00 15.24 N ATOM 0 H HIS A 2 25.015 27.878 4.078 1.00 41.51 H new ATOM 0 HA HIS A 2 26.462 28.530 1.755 1.00 32.05 H new ATOM 0 HB2 HIS A 2 27.333 26.856 4.156 1.00 21.32 H new ATOM 0 HB3 HIS A 2 28.403 27.669 3.032 1.00 21.32 H new ATOM 0 HD2 HIS A 2 28.326 30.597 3.258 1.00 44.43 H new ATOM 0 HE1 HIS A 2 26.577 30.517 7.120 1.00 64.24 H new ATOM 0 HE2 HIS A 2 27.751 31.969 5.400 1.00 15.24 H new ATOM 32 N MET A 3 27.019 26.502 0.373 1.00 11.40 N ATOM 33 CA MET A 3 27.057 25.423 -0.663 1.00 32.14 C ATOM 34 C MET A 3 25.627 25.094 -1.213 1.00 32.12 C ATOM 35 O MET A 3 24.628 25.660 -0.753 1.00 51.44 O ATOM 36 CB MET A 3 27.779 24.142 -0.128 1.00 25.15 C ATOM 37 CG MET A 3 29.204 24.385 0.400 1.00 31.13 C ATOM 38 SD MET A 3 29.927 22.920 1.183 1.00 13.51 S ATOM 39 CE MET A 3 31.453 23.581 1.868 1.00 3.24 C ATOM 0 H MET A 3 27.482 27.359 0.071 1.00 11.40 H new ATOM 0 HA MET A 3 27.642 25.800 -1.502 1.00 32.14 H new ATOM 0 HB2 MET A 3 27.178 23.709 0.672 1.00 25.15 H new ATOM 0 HB3 MET A 3 27.823 23.404 -0.929 1.00 25.15 H new ATOM 0 HG2 MET A 3 29.842 24.702 -0.425 1.00 31.13 H new ATOM 0 HG3 MET A 3 29.184 25.203 1.120 1.00 31.13 H new ATOM 0 HE1 MET A 3 31.997 22.786 2.378 1.00 3.24 H new ATOM 0 HE2 MET A 3 32.068 23.984 1.064 1.00 3.24 H new ATOM 0 HE3 MET A 3 31.219 24.374 2.578 1.00 3.24 H new ATOM 49 N SER A 4 25.558 24.190 -2.217 1.00 5.42 N ATOM 50 CA SER A 4 24.294 23.796 -2.915 1.00 2.13 C ATOM 51 C SER A 4 23.585 25.013 -3.578 1.00 41.32 C ATOM 52 O SER A 4 22.723 25.662 -2.973 1.00 62.42 O ATOM 53 CB SER A 4 23.330 23.037 -1.963 1.00 72.00 C ATOM 54 OG SER A 4 22.162 22.581 -2.634 1.00 72.40 O ATOM 0 H SER A 4 26.380 23.704 -2.575 1.00 5.42 H new ATOM 0 HA SER A 4 24.578 23.114 -3.716 1.00 2.13 H new ATOM 0 HB2 SER A 4 23.851 22.186 -1.524 1.00 72.00 H new ATOM 0 HB3 SER A 4 23.042 23.693 -1.141 1.00 72.00 H new ATOM 0 HG SER A 4 21.584 22.108 -2.000 1.00 72.40 H new ATOM 60 N ASN A 5 23.985 25.327 -4.824 1.00 24.21 N ATOM 61 CA ASN A 5 23.499 26.525 -5.561 1.00 22.22 C ATOM 62 C ASN A 5 22.161 26.271 -6.305 1.00 21.10 C ATOM 63 O ASN A 5 21.692 25.132 -6.398 1.00 73.32 O ATOM 64 CB ASN A 5 24.589 26.995 -6.560 1.00 62.00 C ATOM 65 CG ASN A 5 25.900 27.413 -5.887 1.00 74.41 C ATOM 66 OD1 ASN A 5 25.913 27.873 -4.746 1.00 43.41 O ATOM 67 ND2 ASN A 5 27.013 27.260 -6.587 1.00 45.05 N ATOM 0 H ASN A 5 24.651 24.765 -5.353 1.00 24.21 H new ATOM 0 HA ASN A 5 23.303 27.305 -4.825 1.00 22.22 H new ATOM 0 HB2 ASN A 5 24.794 26.190 -7.266 1.00 62.00 H new ATOM 0 HB3 ASN A 5 24.203 27.835 -7.137 1.00 62.00 H new ATOM 0 HD21 ASN A 5 27.911 27.526 -6.182 1.00 45.05 H new ATOM 0 HD22 ASN A 5 26.973 26.876 -7.531 1.00 45.05 H new ATOM 74 N LYS A 6 21.561 27.361 -6.828 1.00 2.35 N ATOM 75 CA LYS A 6 20.319 27.304 -7.634 1.00 64.24 C ATOM 76 C LYS A 6 20.565 26.584 -8.989 1.00 62.24 C ATOM 77 O LYS A 6 21.149 27.157 -9.917 1.00 63.21 O ATOM 78 CB LYS A 6 19.773 28.744 -7.873 1.00 34.32 C ATOM 79 CG LYS A 6 19.390 29.514 -6.584 1.00 43.43 C ATOM 80 CD LYS A 6 18.974 30.980 -6.857 1.00 10.32 C ATOM 81 CE LYS A 6 17.716 31.107 -7.743 1.00 43.45 C ATOM 82 NZ LYS A 6 17.357 32.527 -8.002 1.00 50.52 N ATOM 0 H LYS A 6 21.923 28.307 -6.704 1.00 2.35 H new ATOM 0 HA LYS A 6 19.576 26.730 -7.080 1.00 64.24 H new ATOM 0 HB2 LYS A 6 20.526 29.318 -8.413 1.00 34.32 H new ATOM 0 HB3 LYS A 6 18.896 28.683 -8.518 1.00 34.32 H new ATOM 0 HG2 LYS A 6 18.570 28.996 -6.088 1.00 43.43 H new ATOM 0 HG3 LYS A 6 20.236 29.504 -5.896 1.00 43.43 H new ATOM 0 HD2 LYS A 6 18.791 31.481 -5.906 1.00 10.32 H new ATOM 0 HD3 LYS A 6 19.802 31.501 -7.338 1.00 10.32 H new ATOM 0 HE2 LYS A 6 17.888 30.598 -8.691 1.00 43.45 H new ATOM 0 HE3 LYS A 6 16.879 30.604 -7.258 1.00 43.45 H new ATOM 0 HZ1 LYS A 6 16.507 32.567 -8.600 1.00 50.52 H new ATOM 0 HZ2 LYS A 6 17.168 33.007 -7.099 1.00 50.52 H new ATOM 0 HZ3 LYS A 6 18.145 33.001 -8.488 1.00 50.52 H new ATOM 96 N GLY A 7 20.126 25.319 -9.073 1.00 61.44 N ATOM 97 CA GLY A 7 20.272 24.512 -10.293 1.00 53.14 C ATOM 98 C GLY A 7 19.214 23.415 -10.402 1.00 75.22 C ATOM 99 O GLY A 7 18.700 22.953 -9.374 1.00 22.25 O ATOM 0 H GLY A 7 19.664 24.831 -8.305 1.00 61.44 H new ATOM 0 HA2 GLY A 7 20.206 25.163 -11.165 1.00 53.14 H new ATOM 0 HA3 GLY A 7 21.263 24.059 -10.308 1.00 53.14 H new ATOM 103 N LYS A 8 18.914 22.990 -11.654 1.00 13.45 N ATOM 104 CA LYS A 8 17.880 21.959 -11.963 1.00 1.41 C ATOM 105 C LYS A 8 16.446 22.414 -11.548 1.00 71.42 C ATOM 106 O LYS A 8 16.245 23.543 -11.089 1.00 71.54 O ATOM 107 CB LYS A 8 18.253 20.578 -11.330 1.00 55.42 C ATOM 108 CG LYS A 8 19.628 20.017 -11.781 1.00 30.23 C ATOM 109 CD LYS A 8 19.988 18.663 -11.122 1.00 4.25 C ATOM 110 CE LYS A 8 19.019 17.530 -11.510 1.00 3.32 C ATOM 111 NZ LYS A 8 19.387 16.231 -10.889 1.00 44.03 N ATOM 0 H LYS A 8 19.382 23.352 -12.485 1.00 13.45 H new ATOM 0 HA LYS A 8 17.865 21.836 -13.046 1.00 1.41 H new ATOM 0 HB2 LYS A 8 18.253 20.678 -10.245 1.00 55.42 H new ATOM 0 HB3 LYS A 8 17.478 19.855 -11.584 1.00 55.42 H new ATOM 0 HG2 LYS A 8 19.624 19.895 -12.864 1.00 30.23 H new ATOM 0 HG3 LYS A 8 20.404 20.745 -11.544 1.00 30.23 H new ATOM 0 HD2 LYS A 8 21.001 18.382 -11.411 1.00 4.25 H new ATOM 0 HD3 LYS A 8 19.986 18.780 -10.038 1.00 4.25 H new ATOM 0 HE2 LYS A 8 18.008 17.801 -11.207 1.00 3.32 H new ATOM 0 HE3 LYS A 8 19.008 17.421 -12.594 1.00 3.32 H new ATOM 0 HZ1 LYS A 8 18.705 15.501 -11.180 1.00 44.03 H new ATOM 0 HZ2 LYS A 8 20.341 15.956 -11.198 1.00 44.03 H new ATOM 0 HZ3 LYS A 8 19.372 16.325 -9.853 1.00 44.03 H new ATOM 125 N LYS A 9 15.445 21.541 -11.766 1.00 50.40 N ATOM 126 CA LYS A 9 14.036 21.823 -11.387 1.00 71.35 C ATOM 127 C LYS A 9 13.721 21.187 -10.004 1.00 51.23 C ATOM 128 O LYS A 9 13.806 21.872 -8.977 1.00 43.45 O ATOM 129 CB LYS A 9 13.038 21.341 -12.493 1.00 62.13 C ATOM 130 CG LYS A 9 13.137 22.092 -13.851 1.00 74.25 C ATOM 131 CD LYS A 9 14.386 21.706 -14.687 1.00 70.34 C ATOM 132 CE LYS A 9 14.575 22.604 -15.922 1.00 74.44 C ATOM 133 NZ LYS A 9 14.876 24.017 -15.553 1.00 53.43 N ATOM 0 H LYS A 9 15.580 20.630 -12.204 1.00 50.40 H new ATOM 0 HA LYS A 9 13.907 22.902 -11.302 1.00 71.35 H new ATOM 0 HB2 LYS A 9 13.205 20.279 -12.671 1.00 62.13 H new ATOM 0 HB3 LYS A 9 12.022 21.445 -12.112 1.00 62.13 H new ATOM 0 HG2 LYS A 9 12.241 21.886 -14.436 1.00 74.25 H new ATOM 0 HG3 LYS A 9 13.154 23.165 -13.662 1.00 74.25 H new ATOM 0 HD2 LYS A 9 15.273 21.770 -14.057 1.00 70.34 H new ATOM 0 HD3 LYS A 9 14.297 20.668 -15.008 1.00 70.34 H new ATOM 0 HE2 LYS A 9 15.386 22.210 -16.534 1.00 74.44 H new ATOM 0 HE3 LYS A 9 13.672 22.574 -16.532 1.00 74.44 H new ATOM 0 HZ1 LYS A 9 15.193 24.536 -16.396 1.00 53.43 H new ATOM 0 HZ2 LYS A 9 14.019 24.466 -15.172 1.00 53.43 H new ATOM 0 HZ3 LYS A 9 15.626 24.035 -14.833 1.00 53.43 H new ATOM 147 N ARG A 10 13.382 19.870 -9.996 1.00 63.33 N ATOM 148 CA ARG A 10 13.179 19.053 -8.759 1.00 62.40 C ATOM 149 C ARG A 10 11.971 19.541 -7.887 1.00 31.12 C ATOM 150 O ARG A 10 11.423 20.622 -8.119 1.00 31.21 O ATOM 151 CB ARG A 10 14.510 18.999 -7.940 1.00 40.12 C ATOM 152 CG ARG A 10 14.599 17.874 -6.887 1.00 32.24 C ATOM 153 CD ARG A 10 15.967 17.825 -6.177 1.00 51.31 C ATOM 154 NE ARG A 10 16.093 16.642 -5.304 1.00 15.55 N ATOM 155 CZ ARG A 10 16.558 15.461 -5.677 1.00 32.13 C ATOM 156 NH1 ARG A 10 16.989 15.249 -6.886 1.00 53.03 N ATOM 157 NH2 ARG A 10 16.617 14.495 -4.824 1.00 63.10 N ATOM 0 H ARG A 10 13.240 19.337 -10.854 1.00 63.33 H new ATOM 0 HA ARG A 10 12.913 18.043 -9.070 1.00 62.40 H new ATOM 0 HB2 ARG A 10 15.340 18.886 -8.637 1.00 40.12 H new ATOM 0 HB3 ARG A 10 14.645 19.956 -7.436 1.00 40.12 H new ATOM 0 HG2 ARG A 10 13.814 18.016 -6.144 1.00 32.24 H new ATOM 0 HG3 ARG A 10 14.411 16.915 -7.370 1.00 32.24 H new ATOM 0 HD2 ARG A 10 16.762 17.812 -6.922 1.00 51.31 H new ATOM 0 HD3 ARG A 10 16.100 18.730 -5.584 1.00 51.31 H new ATOM 0 HE ARG A 10 15.797 16.743 -4.333 1.00 15.55 H new ATOM 0 HH11 ARG A 10 16.973 16.003 -7.573 1.00 53.03 H new ATOM 0 HH12 ARG A 10 17.342 14.329 -7.147 1.00 53.03 H new ATOM 0 HH21 ARG A 10 16.305 14.643 -3.864 1.00 63.10 H new ATOM 0 HH22 ARG A 10 16.975 13.584 -5.110 1.00 63.10 H new ATOM 171 N ARG A 11 11.511 18.681 -6.938 1.00 4.01 N ATOM 172 CA ARG A 11 10.517 19.056 -5.880 1.00 33.51 C ATOM 173 C ARG A 11 9.139 19.497 -6.458 1.00 54.45 C ATOM 174 O ARG A 11 8.419 20.293 -5.844 1.00 10.24 O ATOM 175 CB ARG A 11 11.133 20.148 -4.949 1.00 11.22 C ATOM 176 CG ARG A 11 12.280 19.647 -4.036 1.00 14.43 C ATOM 177 CD ARG A 11 13.014 20.795 -3.307 1.00 32.32 C ATOM 178 NE ARG A 11 12.084 21.787 -2.730 1.00 34.31 N ATOM 179 CZ ARG A 11 11.721 21.874 -1.468 1.00 13.01 C ATOM 180 NH1 ARG A 11 12.129 21.014 -0.583 1.00 22.05 N ATOM 181 NH2 ARG A 11 10.930 22.829 -1.104 1.00 25.14 N ATOM 0 H ARG A 11 11.815 17.709 -6.880 1.00 4.01 H new ATOM 0 HA ARG A 11 10.306 18.162 -5.293 1.00 33.51 H new ATOM 0 HB2 ARG A 11 11.509 20.964 -5.567 1.00 11.22 H new ATOM 0 HB3 ARG A 11 10.342 20.561 -4.323 1.00 11.22 H new ATOM 0 HG2 ARG A 11 11.874 18.955 -3.298 1.00 14.43 H new ATOM 0 HG3 ARG A 11 12.997 19.087 -4.636 1.00 14.43 H new ATOM 0 HD2 ARG A 11 13.634 20.379 -2.513 1.00 32.32 H new ATOM 0 HD3 ARG A 11 13.685 21.295 -4.006 1.00 32.32 H new ATOM 0 HE ARG A 11 11.684 22.471 -3.372 1.00 34.31 H new ATOM 0 HH11 ARG A 11 12.745 20.250 -0.861 1.00 22.05 H new ATOM 0 HH12 ARG A 11 11.833 21.103 0.389 1.00 22.05 H new ATOM 0 HH21 ARG A 11 10.595 23.504 -1.792 1.00 25.14 H new ATOM 0 HH22 ARG A 11 10.641 22.908 -0.129 1.00 25.14 H new ATOM 195 N ASN A 12 8.762 18.917 -7.614 1.00 23.40 N ATOM 196 CA ASN A 12 7.516 19.272 -8.343 1.00 34.20 C ATOM 197 C ASN A 12 6.547 18.064 -8.454 1.00 74.02 C ATOM 198 O ASN A 12 6.951 16.913 -8.233 1.00 75.31 O ATOM 199 CB ASN A 12 7.878 19.821 -9.749 1.00 41.23 C ATOM 200 CG ASN A 12 8.701 18.834 -10.585 1.00 54.35 C ATOM 201 OD1 ASN A 12 8.160 18.011 -11.317 1.00 63.11 O ATOM 202 ND2 ASN A 12 10.016 18.923 -10.494 1.00 34.41 N ATOM 0 H ASN A 12 9.309 18.189 -8.074 1.00 23.40 H new ATOM 0 HA ASN A 12 6.995 20.044 -7.776 1.00 34.20 H new ATOM 0 HB2 ASN A 12 6.961 20.065 -10.285 1.00 41.23 H new ATOM 0 HB3 ASN A 12 8.439 20.749 -9.637 1.00 41.23 H new ATOM 0 HD21 ASN A 12 10.608 18.298 -11.041 1.00 34.41 H new ATOM 0 HD22 ASN A 12 10.439 19.617 -9.877 1.00 34.41 H new ATOM 209 N ARG A 13 5.270 18.357 -8.818 1.00 22.41 N ATOM 210 CA ARG A 13 4.189 17.351 -9.024 1.00 42.50 C ATOM 211 C ARG A 13 3.787 16.632 -7.702 1.00 55.12 C ATOM 212 O ARG A 13 4.532 15.800 -7.168 1.00 3.52 O ATOM 213 CB ARG A 13 4.567 16.330 -10.144 1.00 24.41 C ATOM 214 CG ARG A 13 3.552 15.185 -10.384 1.00 41.44 C ATOM 215 CD ARG A 13 2.167 15.665 -10.853 1.00 62.13 C ATOM 216 NE ARG A 13 1.243 14.534 -11.045 1.00 51.21 N ATOM 217 CZ ARG A 13 -0.068 14.584 -10.953 1.00 72.41 C ATOM 218 NH1 ARG A 13 -0.690 15.681 -10.653 1.00 23.10 N ATOM 219 NH2 ARG A 13 -0.756 13.514 -11.141 1.00 65.53 N ATOM 0 H ARG A 13 4.956 19.314 -8.980 1.00 22.41 H new ATOM 0 HA ARG A 13 3.308 17.898 -9.359 1.00 42.50 H new ATOM 0 HB2 ARG A 13 4.697 16.876 -11.078 1.00 24.41 H new ATOM 0 HB3 ARG A 13 5.532 15.888 -9.896 1.00 24.41 H new ATOM 0 HG2 ARG A 13 3.960 14.502 -11.129 1.00 41.44 H new ATOM 0 HG3 ARG A 13 3.435 14.617 -9.461 1.00 41.44 H new ATOM 0 HD2 ARG A 13 1.752 16.356 -10.119 1.00 62.13 H new ATOM 0 HD3 ARG A 13 2.269 16.217 -11.788 1.00 62.13 H new ATOM 0 HE ARG A 13 1.658 13.630 -11.270 1.00 51.21 H new ATOM 0 HH11 ARG A 13 -0.161 16.536 -10.481 1.00 23.10 H new ATOM 0 HH12 ARG A 13 -1.708 15.689 -10.589 1.00 23.10 H new ATOM 0 HH21 ARG A 13 -0.284 12.636 -11.359 1.00 65.53 H new ATOM 0 HH22 ARG A 13 -1.773 13.543 -11.072 1.00 65.53 H new ATOM 233 N THR A 14 2.595 16.974 -7.186 1.00 24.51 N ATOM 234 CA THR A 14 2.013 16.322 -5.994 1.00 51.13 C ATOM 235 C THR A 14 1.469 14.918 -6.357 1.00 53.40 C ATOM 236 O THR A 14 0.455 14.791 -7.055 1.00 23.14 O ATOM 237 CB THR A 14 0.877 17.193 -5.353 1.00 11.45 C ATOM 238 OG1 THR A 14 -0.193 17.402 -6.298 1.00 3.50 O ATOM 239 CG2 THR A 14 1.403 18.563 -4.874 1.00 64.24 C ATOM 0 H THR A 14 2.006 17.708 -7.580 1.00 24.51 H new ATOM 0 HA THR A 14 2.809 16.217 -5.256 1.00 51.13 H new ATOM 0 HB THR A 14 0.505 16.645 -4.487 1.00 11.45 H new ATOM 0 HG1 THR A 14 -0.329 16.586 -6.823 1.00 3.50 H new ATOM 0 HG21 THR A 14 0.584 19.134 -4.437 1.00 64.24 H new ATOM 0 HG22 THR A 14 2.181 18.413 -4.125 1.00 64.24 H new ATOM 0 HG23 THR A 14 1.816 19.111 -5.721 1.00 64.24 H new ATOM 247 N THR A 15 2.180 13.864 -5.914 1.00 44.34 N ATOM 248 CA THR A 15 1.799 12.455 -6.186 1.00 60.35 C ATOM 249 C THR A 15 1.403 11.739 -4.870 1.00 51.51 C ATOM 250 O THR A 15 0.219 11.537 -4.605 1.00 62.10 O ATOM 251 CB THR A 15 2.955 11.682 -6.918 1.00 34.23 C ATOM 252 OG1 THR A 15 3.346 12.401 -8.104 1.00 34.41 O ATOM 253 CG2 THR A 15 2.545 10.245 -7.308 1.00 11.40 C ATOM 0 H THR A 15 3.031 13.958 -5.360 1.00 44.34 H new ATOM 0 HA THR A 15 0.935 12.461 -6.851 1.00 60.35 H new ATOM 0 HB THR A 15 3.790 11.613 -6.220 1.00 34.23 H new ATOM 0 HG1 THR A 15 4.068 11.917 -8.557 1.00 34.41 H new ATOM 0 HG21 THR A 15 3.378 9.753 -7.811 1.00 11.40 H new ATOM 0 HG22 THR A 15 2.281 9.686 -6.410 1.00 11.40 H new ATOM 0 HG23 THR A 15 1.686 10.281 -7.979 1.00 11.40 H new ATOM 261 N PHE A 16 2.400 11.377 -4.032 1.00 41.53 N ATOM 262 CA PHE A 16 2.154 10.726 -2.721 1.00 2.11 C ATOM 263 C PHE A 16 2.674 11.621 -1.573 1.00 53.01 C ATOM 264 O PHE A 16 3.815 12.099 -1.621 1.00 54.24 O ATOM 265 CB PHE A 16 2.823 9.322 -2.655 1.00 42.13 C ATOM 266 CG PHE A 16 2.291 8.308 -3.673 1.00 10.13 C ATOM 267 CD1 PHE A 16 0.938 7.972 -3.702 1.00 52.35 C ATOM 268 CD2 PHE A 16 3.141 7.685 -4.593 1.00 24.32 C ATOM 269 CE1 PHE A 16 0.452 7.051 -4.614 1.00 1.20 C ATOM 270 CE2 PHE A 16 2.650 6.762 -5.504 1.00 44.23 C ATOM 271 CZ PHE A 16 1.305 6.447 -5.515 1.00 54.04 C ATOM 0 H PHE A 16 3.388 11.525 -4.240 1.00 41.53 H new ATOM 0 HA PHE A 16 1.078 10.592 -2.608 1.00 2.11 H new ATOM 0 HB2 PHE A 16 3.896 9.439 -2.807 1.00 42.13 H new ATOM 0 HB3 PHE A 16 2.685 8.916 -1.653 1.00 42.13 H new ATOM 0 HD1 PHE A 16 0.259 8.437 -3.003 1.00 52.35 H new ATOM 0 HD2 PHE A 16 4.194 7.926 -4.594 1.00 24.32 H new ATOM 0 HE1 PHE A 16 -0.599 6.804 -4.620 1.00 1.20 H new ATOM 0 HE2 PHE A 16 3.320 6.289 -6.206 1.00 44.23 H new ATOM 0 HZ PHE A 16 0.922 5.730 -6.227 1.00 54.04 H new ATOM 281 N THR A 17 1.831 11.846 -0.546 1.00 20.25 N ATOM 282 CA THR A 17 2.196 12.670 0.632 1.00 0.33 C ATOM 283 C THR A 17 3.057 11.861 1.630 1.00 35.21 C ATOM 284 O THR A 17 3.161 10.633 1.520 1.00 72.43 O ATOM 285 CB THR A 17 0.929 13.218 1.381 1.00 74.14 C ATOM 286 OG1 THR A 17 0.258 12.155 2.082 1.00 62.35 O ATOM 287 CG2 THR A 17 -0.062 13.893 0.411 1.00 2.10 C ATOM 0 H THR A 17 0.885 11.467 -0.506 1.00 20.25 H new ATOM 0 HA THR A 17 2.770 13.515 0.252 1.00 0.33 H new ATOM 0 HB THR A 17 1.277 13.966 2.093 1.00 74.14 H new ATOM 0 HG1 THR A 17 -0.528 12.513 2.545 1.00 62.35 H new ATOM 0 HG21 THR A 17 -0.925 14.259 0.968 1.00 2.10 H new ATOM 0 HG22 THR A 17 0.429 14.729 -0.087 1.00 2.10 H new ATOM 0 HG23 THR A 17 -0.392 13.169 -0.334 1.00 2.10 H new ATOM 295 N SER A 18 3.646 12.555 2.620 1.00 5.02 N ATOM 296 CA SER A 18 4.497 11.922 3.657 1.00 42.22 C ATOM 297 C SER A 18 3.693 10.917 4.524 1.00 2.54 C ATOM 298 O SER A 18 4.204 9.850 4.872 1.00 73.33 O ATOM 299 CB SER A 18 5.131 13.005 4.551 1.00 75.21 C ATOM 300 OG SER A 18 5.925 13.909 3.795 1.00 0.42 O ATOM 0 H SER A 18 3.550 13.565 2.728 1.00 5.02 H new ATOM 0 HA SER A 18 5.284 11.365 3.148 1.00 42.22 H new ATOM 0 HB2 SER A 18 4.346 13.555 5.069 1.00 75.21 H new ATOM 0 HB3 SER A 18 5.746 12.532 5.316 1.00 75.21 H new ATOM 0 HG SER A 18 6.311 14.584 4.392 1.00 0.42 H new ATOM 306 N TYR A 19 2.434 11.275 4.858 1.00 53.24 N ATOM 307 CA TYR A 19 1.507 10.386 5.601 1.00 70.35 C ATOM 308 C TYR A 19 1.168 9.116 4.778 1.00 53.23 C ATOM 309 O TYR A 19 1.131 8.008 5.323 1.00 15.12 O ATOM 310 CB TYR A 19 0.204 11.148 5.981 1.00 10.42 C ATOM 311 CG TYR A 19 -0.864 10.265 6.669 1.00 2.30 C ATOM 312 CD1 TYR A 19 -0.793 9.967 8.033 1.00 25.25 C ATOM 313 CD2 TYR A 19 -1.916 9.698 5.943 1.00 72.34 C ATOM 314 CE1 TYR A 19 -1.731 9.149 8.640 1.00 43.45 C ATOM 315 CE2 TYR A 19 -2.847 8.876 6.545 1.00 41.13 C ATOM 316 CZ TYR A 19 -2.754 8.603 7.892 1.00 24.11 C ATOM 317 OH TYR A 19 -3.684 7.771 8.491 1.00 20.00 O ATOM 0 H TYR A 19 2.031 12.182 4.623 1.00 53.24 H new ATOM 0 HA TYR A 19 2.008 10.072 6.517 1.00 70.35 H new ATOM 0 HB2 TYR A 19 0.459 11.975 6.644 1.00 10.42 H new ATOM 0 HB3 TYR A 19 -0.226 11.584 5.079 1.00 10.42 H new ATOM 0 HD1 TYR A 19 0.009 10.383 8.625 1.00 25.25 H new ATOM 0 HD2 TYR A 19 -2.002 9.908 4.887 1.00 72.34 H new ATOM 0 HE1 TYR A 19 -1.662 8.939 9.697 1.00 43.45 H new ATOM 0 HE2 TYR A 19 -3.648 8.447 5.961 1.00 41.13 H new ATOM 0 HH TYR A 19 -4.336 7.475 7.822 1.00 20.00 H new ATOM 327 N GLN A 20 0.902 9.297 3.468 1.00 33.14 N ATOM 328 CA GLN A 20 0.590 8.170 2.559 1.00 30.13 C ATOM 329 C GLN A 20 1.768 7.182 2.478 1.00 20.33 C ATOM 330 O GLN A 20 1.572 5.983 2.617 1.00 24.44 O ATOM 331 CB GLN A 20 0.198 8.673 1.147 1.00 5.13 C ATOM 332 CG GLN A 20 -1.127 9.457 1.109 1.00 5.34 C ATOM 333 CD GLN A 20 -1.545 9.906 -0.293 1.00 11.24 C ATOM 334 OE1 GLN A 20 -0.718 10.148 -1.164 1.00 3.23 O ATOM 335 NE2 GLN A 20 -2.839 10.037 -0.510 1.00 30.02 N ATOM 0 H GLN A 20 0.897 10.211 3.015 1.00 33.14 H new ATOM 0 HA GLN A 20 -0.269 7.643 2.975 1.00 30.13 H new ATOM 0 HB2 GLN A 20 0.996 9.309 0.764 1.00 5.13 H new ATOM 0 HB3 GLN A 20 0.122 7.818 0.476 1.00 5.13 H new ATOM 0 HG2 GLN A 20 -1.917 8.836 1.531 1.00 5.34 H new ATOM 0 HG3 GLN A 20 -1.036 10.335 1.748 1.00 5.34 H new ATOM 0 HE21 GLN A 20 -3.505 9.828 0.234 1.00 30.02 H new ATOM 0 HE22 GLN A 20 -3.174 10.347 -1.422 1.00 30.02 H new ATOM 344 N LEU A 21 2.994 7.712 2.309 1.00 75.53 N ATOM 345 CA LEU A 21 4.226 6.888 2.260 1.00 42.24 C ATOM 346 C LEU A 21 4.487 6.137 3.591 1.00 73.20 C ATOM 347 O LEU A 21 5.135 5.084 3.583 1.00 2.13 O ATOM 348 CB LEU A 21 5.448 7.761 1.870 1.00 1.31 C ATOM 349 CG LEU A 21 5.412 8.359 0.429 1.00 1.43 C ATOM 350 CD1 LEU A 21 6.651 9.230 0.152 1.00 13.11 C ATOM 351 CD2 LEU A 21 5.262 7.251 -0.637 1.00 70.51 C ATOM 0 H LEU A 21 3.163 8.712 2.203 1.00 75.53 H new ATOM 0 HA LEU A 21 4.076 6.128 1.493 1.00 42.24 H new ATOM 0 HB2 LEU A 21 5.529 8.581 2.583 1.00 1.31 H new ATOM 0 HB3 LEU A 21 6.351 7.159 1.972 1.00 1.31 H new ATOM 0 HG LEU A 21 4.534 9.002 0.365 1.00 1.43 H new ATOM 0 HD11 LEU A 21 6.595 9.631 -0.860 1.00 13.11 H new ATOM 0 HD12 LEU A 21 6.685 10.052 0.867 1.00 13.11 H new ATOM 0 HD13 LEU A 21 7.552 8.624 0.253 1.00 13.11 H new ATOM 0 HD21 LEU A 21 5.240 7.701 -1.629 1.00 70.51 H new ATOM 0 HD22 LEU A 21 6.105 6.564 -0.569 1.00 70.51 H new ATOM 0 HD23 LEU A 21 4.334 6.705 -0.466 1.00 70.51 H new ATOM 363 N GLU A 22 3.985 6.679 4.731 1.00 25.54 N ATOM 364 CA GLU A 22 3.992 5.945 6.017 1.00 11.14 C ATOM 365 C GLU A 22 3.094 4.695 5.915 1.00 44.23 C ATOM 366 O GLU A 22 3.581 3.583 6.028 1.00 42.11 O ATOM 367 CB GLU A 22 3.503 6.824 7.206 1.00 10.45 C ATOM 368 CG GLU A 22 4.418 7.993 7.593 1.00 41.34 C ATOM 369 CD GLU A 22 3.954 8.719 8.876 1.00 55.22 C ATOM 370 OE1 GLU A 22 3.143 9.670 8.782 1.00 45.35 O ATOM 371 OE2 GLU A 22 4.410 8.347 9.983 1.00 61.00 O ATOM 0 H GLU A 22 3.575 7.612 4.783 1.00 25.54 H new ATOM 0 HA GLU A 22 5.025 5.659 6.213 1.00 11.14 H new ATOM 0 HB2 GLU A 22 2.520 7.224 6.957 1.00 10.45 H new ATOM 0 HB3 GLU A 22 3.375 6.183 8.078 1.00 10.45 H new ATOM 0 HG2 GLU A 22 5.432 7.621 7.738 1.00 41.34 H new ATOM 0 HG3 GLU A 22 4.455 8.707 6.770 1.00 41.34 H new ATOM 378 N GLU A 23 1.797 4.911 5.628 1.00 3.42 N ATOM 379 CA GLU A 23 0.762 3.840 5.649 1.00 73.33 C ATOM 380 C GLU A 23 1.047 2.724 4.611 1.00 15.22 C ATOM 381 O GLU A 23 0.881 1.538 4.901 1.00 63.14 O ATOM 382 CB GLU A 23 -0.639 4.441 5.386 1.00 45.44 C ATOM 383 CG GLU A 23 -1.035 5.623 6.292 1.00 61.12 C ATOM 384 CD GLU A 23 -1.036 5.282 7.793 1.00 21.03 C ATOM 385 OE1 GLU A 23 -1.934 4.528 8.237 1.00 5.33 O ATOM 386 OE2 GLU A 23 -0.157 5.771 8.537 1.00 53.41 O ATOM 0 H GLU A 23 1.429 5.828 5.375 1.00 3.42 H new ATOM 0 HA GLU A 23 0.793 3.389 6.641 1.00 73.33 H new ATOM 0 HB2 GLU A 23 -0.685 4.770 4.348 1.00 45.44 H new ATOM 0 HB3 GLU A 23 -1.382 3.652 5.503 1.00 45.44 H new ATOM 0 HG2 GLU A 23 -0.346 6.449 6.117 1.00 61.12 H new ATOM 0 HG3 GLU A 23 -2.028 5.970 6.007 1.00 61.12 H new ATOM 393 N LEU A 24 1.461 3.144 3.400 1.00 52.54 N ATOM 394 CA LEU A 24 1.853 2.237 2.296 1.00 34.51 C ATOM 395 C LEU A 24 3.011 1.297 2.734 1.00 13.03 C ATOM 396 O LEU A 24 2.937 0.079 2.542 1.00 74.40 O ATOM 397 CB LEU A 24 2.256 3.080 1.049 1.00 12.20 C ATOM 398 CG LEU A 24 1.105 3.870 0.331 1.00 62.22 C ATOM 399 CD1 LEU A 24 1.664 4.920 -0.660 1.00 30.11 C ATOM 400 CD2 LEU A 24 0.125 2.912 -0.379 1.00 51.21 C ATOM 0 H LEU A 24 1.535 4.131 3.155 1.00 52.54 H new ATOM 0 HA LEU A 24 1.003 1.606 2.035 1.00 34.51 H new ATOM 0 HB2 LEU A 24 3.021 3.795 1.354 1.00 12.20 H new ATOM 0 HB3 LEU A 24 2.716 2.412 0.321 1.00 12.20 H new ATOM 0 HG LEU A 24 0.553 4.406 1.103 1.00 62.22 H new ATOM 0 HD11 LEU A 24 0.837 5.446 -1.137 1.00 30.11 H new ATOM 0 HD12 LEU A 24 2.286 5.634 -0.121 1.00 30.11 H new ATOM 0 HD13 LEU A 24 2.263 4.420 -1.421 1.00 30.11 H new ATOM 0 HD21 LEU A 24 -0.660 3.490 -0.866 1.00 51.21 H new ATOM 0 HD22 LEU A 24 0.663 2.329 -1.126 1.00 51.21 H new ATOM 0 HD23 LEU A 24 -0.321 2.239 0.354 1.00 51.21 H new ATOM 412 N GLU A 25 4.065 1.879 3.350 1.00 42.32 N ATOM 413 CA GLU A 25 5.199 1.096 3.906 1.00 10.35 C ATOM 414 C GLU A 25 4.767 0.238 5.115 1.00 70.51 C ATOM 415 O GLU A 25 5.229 -0.880 5.246 1.00 63.43 O ATOM 416 CB GLU A 25 6.411 2.019 4.276 1.00 34.43 C ATOM 417 CG GLU A 25 7.451 2.238 3.149 1.00 14.35 C ATOM 418 CD GLU A 25 8.296 0.981 2.816 1.00 74.21 C ATOM 419 OE1 GLU A 25 7.791 0.066 2.136 1.00 44.21 O ATOM 420 OE2 GLU A 25 9.484 0.913 3.207 1.00 4.01 O ATOM 0 H GLU A 25 4.156 2.887 3.476 1.00 42.32 H new ATOM 0 HA GLU A 25 5.527 0.414 3.121 1.00 10.35 H new ATOM 0 HB2 GLU A 25 6.025 2.991 4.584 1.00 34.43 H new ATOM 0 HB3 GLU A 25 6.921 1.591 5.139 1.00 34.43 H new ATOM 0 HG2 GLU A 25 6.931 2.563 2.248 1.00 14.35 H new ATOM 0 HG3 GLU A 25 8.121 3.047 3.440 1.00 14.35 H new ATOM 427 N LYS A 26 3.865 0.757 5.969 1.00 43.42 N ATOM 428 CA LYS A 26 3.396 0.047 7.190 1.00 55.13 C ATOM 429 C LYS A 26 2.698 -1.281 6.836 1.00 33.31 C ATOM 430 O LYS A 26 2.969 -2.309 7.451 1.00 51.14 O ATOM 431 CB LYS A 26 2.446 0.944 8.031 1.00 4.22 C ATOM 432 CG LYS A 26 3.142 2.117 8.749 1.00 51.01 C ATOM 433 CD LYS A 26 2.135 3.089 9.399 1.00 22.41 C ATOM 434 CE LYS A 26 2.824 4.289 10.070 1.00 35.21 C ATOM 435 NZ LYS A 26 1.848 5.277 10.593 1.00 52.01 N ATOM 0 H LYS A 26 3.439 1.675 5.840 1.00 43.42 H new ATOM 0 HA LYS A 26 4.278 -0.180 7.789 1.00 55.13 H new ATOM 0 HB2 LYS A 26 1.671 1.344 7.377 1.00 4.22 H new ATOM 0 HB3 LYS A 26 1.946 0.324 8.775 1.00 4.22 H new ATOM 0 HG2 LYS A 26 3.811 1.725 9.515 1.00 51.01 H new ATOM 0 HG3 LYS A 26 3.760 2.662 8.035 1.00 51.01 H new ATOM 0 HD2 LYS A 26 1.442 3.450 8.640 1.00 22.41 H new ATOM 0 HD3 LYS A 26 1.544 2.552 10.141 1.00 22.41 H new ATOM 0 HE2 LYS A 26 3.452 3.934 10.887 1.00 35.21 H new ATOM 0 HE3 LYS A 26 3.482 4.777 9.351 1.00 35.21 H new ATOM 0 HZ1 LYS A 26 2.343 6.159 10.835 1.00 52.01 H new ATOM 0 HZ2 LYS A 26 1.128 5.471 9.868 1.00 52.01 H new ATOM 0 HZ3 LYS A 26 1.388 4.894 11.444 1.00 52.01 H new ATOM 449 N VAL A 27 1.820 -1.239 5.824 1.00 5.22 N ATOM 450 CA VAL A 27 1.145 -2.441 5.297 1.00 34.04 C ATOM 451 C VAL A 27 2.160 -3.373 4.579 1.00 2.20 C ATOM 452 O VAL A 27 2.017 -4.591 4.638 1.00 11.40 O ATOM 453 CB VAL A 27 -0.052 -2.040 4.356 1.00 43.14 C ATOM 454 CG1 VAL A 27 -0.728 -3.272 3.698 1.00 25.42 C ATOM 455 CG2 VAL A 27 -1.096 -1.201 5.144 1.00 71.21 C ATOM 0 H VAL A 27 1.556 -0.377 5.347 1.00 5.22 H new ATOM 0 HA VAL A 27 0.728 -3.000 6.134 1.00 34.04 H new ATOM 0 HB VAL A 27 0.360 -1.436 3.548 1.00 43.14 H new ATOM 0 HG11 VAL A 27 -1.547 -2.940 3.059 1.00 25.42 H new ATOM 0 HG12 VAL A 27 0.005 -3.812 3.098 1.00 25.42 H new ATOM 0 HG13 VAL A 27 -1.117 -3.931 4.474 1.00 25.42 H new ATOM 0 HG21 VAL A 27 -1.919 -0.930 4.483 1.00 71.21 H new ATOM 0 HG22 VAL A 27 -1.480 -1.788 5.978 1.00 71.21 H new ATOM 0 HG23 VAL A 27 -0.623 -0.296 5.525 1.00 71.21 H new ATOM 465 N PHE A 28 3.208 -2.784 3.950 1.00 50.13 N ATOM 466 CA PHE A 28 4.332 -3.552 3.348 1.00 44.43 C ATOM 467 C PHE A 28 5.194 -4.243 4.450 1.00 24.54 C ATOM 468 O PHE A 28 5.799 -5.290 4.203 1.00 54.24 O ATOM 469 CB PHE A 28 5.201 -2.611 2.459 1.00 43.33 C ATOM 470 CG PHE A 28 6.232 -3.306 1.558 1.00 2.50 C ATOM 471 CD1 PHE A 28 5.822 -4.077 0.467 1.00 63.41 C ATOM 472 CD2 PHE A 28 7.605 -3.167 1.775 1.00 42.45 C ATOM 473 CE1 PHE A 28 6.742 -4.689 -0.365 1.00 43.11 C ATOM 474 CE2 PHE A 28 8.527 -3.781 0.942 1.00 40.32 C ATOM 475 CZ PHE A 28 8.092 -4.538 -0.129 1.00 4.35 C ATOM 0 H PHE A 28 3.300 -1.774 3.845 1.00 50.13 H new ATOM 0 HA PHE A 28 3.919 -4.340 2.718 1.00 44.43 H new ATOM 0 HB2 PHE A 28 4.535 -2.021 1.829 1.00 43.33 H new ATOM 0 HB3 PHE A 28 5.727 -1.912 3.109 1.00 43.33 H new ATOM 0 HD1 PHE A 28 4.767 -4.197 0.270 1.00 63.41 H new ATOM 0 HD2 PHE A 28 7.954 -2.571 2.606 1.00 42.45 H new ATOM 0 HE1 PHE A 28 6.403 -5.285 -1.199 1.00 43.11 H new ATOM 0 HE2 PHE A 28 9.585 -3.668 1.130 1.00 40.32 H new ATOM 0 HZ PHE A 28 8.810 -5.012 -0.782 1.00 4.35 H new ATOM 485 N GLN A 29 5.235 -3.651 5.671 1.00 24.14 N ATOM 486 CA GLN A 29 5.943 -4.253 6.838 1.00 25.41 C ATOM 487 C GLN A 29 5.127 -5.435 7.412 1.00 71.03 C ATOM 488 O GLN A 29 5.681 -6.492 7.737 1.00 71.52 O ATOM 489 CB GLN A 29 6.194 -3.212 7.976 1.00 74.11 C ATOM 490 CG GLN A 29 6.898 -1.898 7.573 1.00 1.04 C ATOM 491 CD GLN A 29 8.172 -2.092 6.751 1.00 13.42 C ATOM 492 OE1 GLN A 29 9.262 -2.236 7.295 1.00 3.12 O ATOM 493 NE2 GLN A 29 8.050 -2.067 5.433 1.00 3.14 N ATOM 0 H GLN A 29 4.787 -2.758 5.876 1.00 24.14 H new ATOM 0 HA GLN A 29 6.909 -4.604 6.474 1.00 25.41 H new ATOM 0 HB2 GLN A 29 5.233 -2.959 8.424 1.00 74.11 H new ATOM 0 HB3 GLN A 29 6.790 -3.693 8.751 1.00 74.11 H new ATOM 0 HG2 GLN A 29 6.200 -1.287 7.001 1.00 1.04 H new ATOM 0 HG3 GLN A 29 7.144 -1.340 8.476 1.00 1.04 H new ATOM 0 HE21 GLN A 29 7.131 -1.946 5.008 1.00 3.14 H new ATOM 0 HE22 GLN A 29 8.875 -2.169 4.842 1.00 3.14 H new ATOM 502 N LYS A 30 3.804 -5.217 7.538 1.00 2.31 N ATOM 503 CA LYS A 30 2.843 -6.229 8.041 1.00 25.23 C ATOM 504 C LYS A 30 2.722 -7.422 7.060 1.00 55.01 C ATOM 505 O LYS A 30 2.549 -8.571 7.480 1.00 42.33 O ATOM 506 CB LYS A 30 1.449 -5.574 8.262 1.00 51.25 C ATOM 507 CG LYS A 30 1.439 -4.411 9.283 1.00 73.43 C ATOM 508 CD LYS A 30 0.069 -3.694 9.369 1.00 15.31 C ATOM 509 CE LYS A 30 0.106 -2.439 10.269 1.00 71.21 C ATOM 510 NZ LYS A 30 0.495 -2.747 11.676 1.00 64.54 N ATOM 0 H LYS A 30 3.365 -4.330 7.293 1.00 2.31 H new ATOM 0 HA LYS A 30 3.216 -6.610 8.991 1.00 25.23 H new ATOM 0 HB2 LYS A 30 1.080 -5.204 7.305 1.00 51.25 H new ATOM 0 HB3 LYS A 30 0.751 -6.341 8.597 1.00 51.25 H new ATOM 0 HG2 LYS A 30 1.704 -4.797 10.268 1.00 73.43 H new ATOM 0 HG3 LYS A 30 2.206 -3.687 9.008 1.00 73.43 H new ATOM 0 HD2 LYS A 30 -0.250 -3.408 8.367 1.00 15.31 H new ATOM 0 HD3 LYS A 30 -0.677 -4.390 9.754 1.00 15.31 H new ATOM 0 HE2 LYS A 30 0.810 -1.719 9.852 1.00 71.21 H new ATOM 0 HE3 LYS A 30 -0.875 -1.965 10.264 1.00 71.21 H new ATOM 0 HZ1 LYS A 30 0.503 -1.869 12.234 1.00 64.54 H new ATOM 0 HZ2 LYS A 30 -0.190 -3.413 12.088 1.00 64.54 H new ATOM 0 HZ3 LYS A 30 1.443 -3.174 11.688 1.00 64.54 H new ATOM 524 N THR A 31 2.807 -7.115 5.750 1.00 13.12 N ATOM 525 CA THR A 31 2.740 -8.114 4.661 1.00 30.51 C ATOM 526 C THR A 31 3.268 -7.526 3.322 1.00 33.11 C ATOM 527 O THR A 31 2.761 -6.515 2.830 1.00 53.14 O ATOM 528 CB THR A 31 1.285 -8.690 4.475 1.00 23.33 C ATOM 529 OG1 THR A 31 1.258 -9.622 3.384 1.00 43.24 O ATOM 530 CG2 THR A 31 0.214 -7.598 4.250 1.00 51.44 C ATOM 0 H THR A 31 2.925 -6.159 5.414 1.00 13.12 H new ATOM 0 HA THR A 31 3.387 -8.941 4.953 1.00 30.51 H new ATOM 0 HB THR A 31 1.034 -9.191 5.410 1.00 23.33 H new ATOM 0 HG1 THR A 31 0.535 -9.382 2.767 1.00 43.24 H new ATOM 0 HG21 THR A 31 -0.763 -8.066 4.130 1.00 51.44 H new ATOM 0 HG22 THR A 31 0.192 -6.927 5.109 1.00 51.44 H new ATOM 0 HG23 THR A 31 0.457 -7.030 3.352 1.00 51.44 H new ATOM 538 N HIS A 32 4.310 -8.167 2.739 1.00 72.15 N ATOM 539 CA HIS A 32 4.870 -7.771 1.418 1.00 21.53 C ATOM 540 C HIS A 32 3.854 -8.014 0.260 1.00 71.43 C ATOM 541 O HIS A 32 4.020 -7.491 -0.848 1.00 22.55 O ATOM 542 CB HIS A 32 6.208 -8.516 1.141 1.00 62.02 C ATOM 543 CG HIS A 32 7.325 -8.181 2.110 1.00 11.23 C ATOM 544 ND1 HIS A 32 8.133 -9.133 2.699 1.00 63.51 N ATOM 545 CD2 HIS A 32 7.784 -6.988 2.563 1.00 4.44 C ATOM 546 CE1 HIS A 32 9.030 -8.542 3.464 1.00 53.04 C ATOM 547 NE2 HIS A 32 8.841 -7.242 3.402 1.00 20.11 N ATOM 0 H HIS A 32 4.783 -8.965 3.163 1.00 72.15 H new ATOM 0 HA HIS A 32 5.070 -6.700 1.457 1.00 21.53 H new ATOM 0 HB2 HIS A 32 6.025 -9.590 1.174 1.00 62.02 H new ATOM 0 HB3 HIS A 32 6.538 -8.280 0.129 1.00 62.02 H new ATOM 0 HD2 HIS A 32 7.390 -6.015 2.310 1.00 4.44 H new ATOM 0 HE1 HIS A 32 9.792 -9.042 4.044 1.00 53.04 H new ATOM 0 HE2 HIS A 32 9.389 -6.538 3.896 1.00 20.11 H new ATOM 556 N TYR A 33 2.815 -8.829 0.541 1.00 74.43 N ATOM 557 CA TYR A 33 1.681 -9.093 -0.377 1.00 63.25 C ATOM 558 C TYR A 33 0.330 -8.781 0.324 1.00 20.24 C ATOM 559 O TYR A 33 -0.234 -9.658 1.000 1.00 35.51 O ATOM 560 CB TYR A 33 1.713 -10.568 -0.866 1.00 42.34 C ATOM 561 CG TYR A 33 2.844 -10.874 -1.854 1.00 44.14 C ATOM 562 CD1 TYR A 33 4.119 -11.263 -1.421 1.00 15.34 C ATOM 563 CD2 TYR A 33 2.637 -10.759 -3.230 1.00 2.32 C ATOM 564 CE1 TYR A 33 5.136 -11.513 -2.326 1.00 14.44 C ATOM 565 CE2 TYR A 33 3.647 -11.015 -4.130 1.00 4.53 C ATOM 566 CZ TYR A 33 4.892 -11.392 -3.682 1.00 70.34 C ATOM 567 OH TYR A 33 5.901 -11.624 -4.595 1.00 45.25 O ATOM 0 H TYR A 33 2.737 -9.331 1.425 1.00 74.43 H new ATOM 0 HA TYR A 33 1.777 -8.439 -1.244 1.00 63.25 H new ATOM 0 HB2 TYR A 33 1.813 -11.224 -0.001 1.00 42.34 H new ATOM 0 HB3 TYR A 33 0.759 -10.804 -1.337 1.00 42.34 H new ATOM 0 HD1 TYR A 33 4.311 -11.369 -0.364 1.00 15.34 H new ATOM 0 HD2 TYR A 33 1.665 -10.463 -3.596 1.00 2.32 H new ATOM 0 HE1 TYR A 33 6.116 -11.801 -1.975 1.00 14.44 H new ATOM 0 HE2 TYR A 33 3.462 -10.920 -5.190 1.00 4.53 H new ATOM 0 HH TYR A 33 5.583 -12.244 -5.284 1.00 45.25 H new ATOM 577 N PRO A 34 -0.188 -7.509 0.217 1.00 71.15 N ATOM 578 CA PRO A 34 -1.499 -7.115 0.806 1.00 74.12 C ATOM 579 C PRO A 34 -2.695 -7.971 0.302 1.00 34.33 C ATOM 580 O PRO A 34 -2.901 -8.123 -0.905 1.00 35.03 O ATOM 581 CB PRO A 34 -1.653 -5.627 0.382 1.00 15.40 C ATOM 582 CG PRO A 34 -0.254 -5.157 0.147 1.00 4.44 C ATOM 583 CD PRO A 34 0.473 -6.347 -0.444 1.00 51.51 C ATOM 0 HA PRO A 34 -1.511 -7.269 1.885 1.00 74.12 H new ATOM 0 HB2 PRO A 34 -2.260 -5.532 -0.518 1.00 15.40 H new ATOM 0 HB3 PRO A 34 -2.143 -5.041 1.160 1.00 15.40 H new ATOM 0 HG2 PRO A 34 -0.234 -4.306 -0.534 1.00 4.44 H new ATOM 0 HG3 PRO A 34 0.213 -4.832 1.077 1.00 4.44 H new ATOM 0 HD2 PRO A 34 0.367 -6.386 -1.528 1.00 51.51 H new ATOM 0 HD3 PRO A 34 1.541 -6.315 -0.229 1.00 51.51 H new ATOM 591 N ASP A 35 -3.454 -8.547 1.248 1.00 14.01 N ATOM 592 CA ASP A 35 -4.691 -9.310 0.960 1.00 31.05 C ATOM 593 C ASP A 35 -5.837 -8.374 0.503 1.00 71.23 C ATOM 594 O ASP A 35 -5.723 -7.154 0.613 1.00 63.32 O ATOM 595 CB ASP A 35 -5.118 -10.083 2.226 1.00 10.50 C ATOM 596 CG ASP A 35 -3.988 -10.958 2.789 1.00 64.43 C ATOM 597 OD1 ASP A 35 -3.146 -10.436 3.557 1.00 50.35 O ATOM 598 OD2 ASP A 35 -3.923 -12.158 2.456 1.00 62.31 O ATOM 0 H ASP A 35 -3.230 -8.499 2.242 1.00 14.01 H new ATOM 0 HA ASP A 35 -4.486 -10.008 0.148 1.00 31.05 H new ATOM 0 HB2 ASP A 35 -5.439 -9.375 2.989 1.00 10.50 H new ATOM 0 HB3 ASP A 35 -5.977 -10.711 1.992 1.00 10.50 H new ATOM 603 N VAL A 36 -6.948 -8.967 0.024 1.00 71.25 N ATOM 604 CA VAL A 36 -8.137 -8.203 -0.440 1.00 51.32 C ATOM 605 C VAL A 36 -8.655 -7.217 0.642 1.00 51.33 C ATOM 606 O VAL A 36 -9.047 -6.096 0.334 1.00 22.11 O ATOM 607 CB VAL A 36 -9.296 -9.170 -0.896 1.00 4.42 C ATOM 608 CG1 VAL A 36 -9.841 -10.024 0.281 1.00 30.31 C ATOM 609 CG2 VAL A 36 -10.437 -8.402 -1.623 1.00 2.11 C ATOM 0 H VAL A 36 -7.053 -9.979 -0.054 1.00 71.25 H new ATOM 0 HA VAL A 36 -7.815 -7.615 -1.300 1.00 51.32 H new ATOM 0 HB VAL A 36 -8.862 -9.863 -1.617 1.00 4.42 H new ATOM 0 HG11 VAL A 36 -10.637 -10.675 -0.080 1.00 30.31 H new ATOM 0 HG12 VAL A 36 -9.035 -10.631 0.694 1.00 30.31 H new ATOM 0 HG13 VAL A 36 -10.233 -9.366 1.057 1.00 30.31 H new ATOM 0 HG21 VAL A 36 -11.216 -9.104 -1.921 1.00 2.11 H new ATOM 0 HG22 VAL A 36 -10.859 -7.656 -0.950 1.00 2.11 H new ATOM 0 HG23 VAL A 36 -10.036 -7.907 -2.508 1.00 2.11 H new ATOM 619 N TYR A 37 -8.604 -7.648 1.917 1.00 31.32 N ATOM 620 CA TYR A 37 -9.054 -6.838 3.066 1.00 4.43 C ATOM 621 C TYR A 37 -7.970 -5.815 3.487 1.00 43.33 C ATOM 622 O TYR A 37 -8.289 -4.695 3.896 1.00 2.12 O ATOM 623 CB TYR A 37 -9.440 -7.764 4.250 1.00 44.01 C ATOM 624 CG TYR A 37 -10.117 -7.036 5.415 1.00 41.01 C ATOM 625 CD1 TYR A 37 -11.327 -6.368 5.224 1.00 32.21 C ATOM 626 CD2 TYR A 37 -9.549 -6.998 6.694 1.00 15.21 C ATOM 627 CE1 TYR A 37 -11.944 -5.692 6.262 1.00 3.41 C ATOM 628 CE2 TYR A 37 -10.162 -6.324 7.732 1.00 13.24 C ATOM 629 CZ TYR A 37 -11.358 -5.672 7.512 1.00 32.30 C ATOM 630 OH TYR A 37 -11.967 -4.991 8.544 1.00 13.23 O ATOM 0 H TYR A 37 -8.250 -8.568 2.180 1.00 31.32 H new ATOM 0 HA TYR A 37 -9.936 -6.272 2.767 1.00 4.43 H new ATOM 0 HB2 TYR A 37 -10.108 -8.544 3.885 1.00 44.01 H new ATOM 0 HB3 TYR A 37 -8.542 -8.260 4.618 1.00 44.01 H new ATOM 0 HD1 TYR A 37 -11.790 -6.379 4.249 1.00 32.21 H new ATOM 0 HD2 TYR A 37 -8.613 -7.506 6.873 1.00 15.21 H new ATOM 0 HE1 TYR A 37 -12.881 -5.182 6.095 1.00 3.41 H new ATOM 0 HE2 TYR A 37 -9.707 -6.307 8.711 1.00 13.24 H new ATOM 0 HH TYR A 37 -11.426 -5.077 9.357 1.00 13.23 H new ATOM 640 N ALA A 38 -6.691 -6.215 3.373 1.00 21.12 N ATOM 641 CA ALA A 38 -5.532 -5.333 3.676 1.00 34.34 C ATOM 642 C ALA A 38 -5.455 -4.122 2.709 1.00 41.51 C ATOM 643 O ALA A 38 -5.012 -3.036 3.095 1.00 34.21 O ATOM 644 CB ALA A 38 -4.226 -6.140 3.632 1.00 3.24 C ATOM 0 H ALA A 38 -6.425 -7.152 3.071 1.00 21.12 H new ATOM 0 HA ALA A 38 -5.674 -4.936 4.681 1.00 34.34 H new ATOM 0 HB1 ALA A 38 -3.385 -5.484 3.855 1.00 3.24 H new ATOM 0 HB2 ALA A 38 -4.268 -6.940 4.371 1.00 3.24 H new ATOM 0 HB3 ALA A 38 -4.097 -6.570 2.639 1.00 3.24 H new ATOM 650 N ARG A 39 -5.900 -4.329 1.451 1.00 12.43 N ATOM 651 CA ARG A 39 -5.965 -3.260 0.425 1.00 12.11 C ATOM 652 C ARG A 39 -7.131 -2.289 0.714 1.00 32.31 C ATOM 653 O ARG A 39 -7.026 -1.105 0.429 1.00 2.03 O ATOM 654 CB ARG A 39 -6.116 -3.871 -0.994 1.00 54.22 C ATOM 655 CG ARG A 39 -4.966 -4.823 -1.398 1.00 62.52 C ATOM 656 CD ARG A 39 -5.132 -5.425 -2.812 1.00 3.43 C ATOM 657 NE ARG A 39 -4.453 -6.732 -2.931 1.00 71.25 N ATOM 658 CZ ARG A 39 -3.625 -7.105 -3.886 1.00 31.22 C ATOM 659 NH1 ARG A 39 -3.222 -6.281 -4.803 1.00 40.11 N ATOM 660 NH2 ARG A 39 -3.189 -8.323 -3.890 1.00 24.13 N ATOM 0 H ARG A 39 -6.223 -5.237 1.117 1.00 12.43 H new ATOM 0 HA ARG A 39 -5.031 -2.699 0.466 1.00 12.11 H new ATOM 0 HB2 ARG A 39 -7.059 -4.416 -1.045 1.00 54.22 H new ATOM 0 HB3 ARG A 39 -6.176 -3.062 -1.722 1.00 54.22 H new ATOM 0 HG2 ARG A 39 -4.022 -4.280 -1.351 1.00 62.52 H new ATOM 0 HG3 ARG A 39 -4.904 -5.633 -0.672 1.00 62.52 H new ATOM 0 HD2 ARG A 39 -6.192 -5.544 -3.035 1.00 3.43 H new ATOM 0 HD3 ARG A 39 -4.726 -4.735 -3.552 1.00 3.43 H new ATOM 0 HE ARG A 39 -4.645 -7.416 -2.199 1.00 71.25 H new ATOM 0 HH11 ARG A 39 -3.546 -5.314 -4.798 1.00 40.11 H new ATOM 0 HH12 ARG A 39 -2.581 -6.600 -5.529 1.00 40.11 H new ATOM 0 HH21 ARG A 39 -3.487 -8.974 -3.163 1.00 24.13 H new ATOM 0 HH22 ARG A 39 -2.547 -8.633 -4.620 1.00 24.13 H new ATOM 674 N GLU A 40 -8.242 -2.813 1.281 1.00 61.33 N ATOM 675 CA GLU A 40 -9.406 -1.985 1.696 1.00 22.03 C ATOM 676 C GLU A 40 -9.051 -1.077 2.898 1.00 21.54 C ATOM 677 O GLU A 40 -9.424 0.102 2.931 1.00 2.41 O ATOM 678 CB GLU A 40 -10.619 -2.887 2.046 1.00 34.12 C ATOM 679 CG GLU A 40 -11.155 -3.725 0.870 1.00 62.41 C ATOM 680 CD GLU A 40 -11.687 -2.869 -0.297 1.00 62.54 C ATOM 681 OE1 GLU A 40 -12.848 -2.405 -0.221 1.00 73.14 O ATOM 682 OE2 GLU A 40 -10.965 -2.662 -1.294 1.00 35.43 O ATOM 0 H GLU A 40 -8.360 -3.810 1.464 1.00 61.33 H new ATOM 0 HA GLU A 40 -9.673 -1.344 0.856 1.00 22.03 H new ATOM 0 HB2 GLU A 40 -10.333 -3.560 2.854 1.00 34.12 H new ATOM 0 HB3 GLU A 40 -11.425 -2.259 2.424 1.00 34.12 H new ATOM 0 HG2 GLU A 40 -10.359 -4.373 0.503 1.00 62.41 H new ATOM 0 HG3 GLU A 40 -11.954 -4.373 1.229 1.00 62.41 H new ATOM 689 N GLN A 41 -8.327 -1.659 3.879 1.00 22.50 N ATOM 690 CA GLN A 41 -7.802 -0.924 5.053 1.00 70.24 C ATOM 691 C GLN A 41 -6.857 0.215 4.612 1.00 20.14 C ATOM 692 O GLN A 41 -7.007 1.360 5.029 1.00 5.23 O ATOM 693 CB GLN A 41 -7.048 -1.893 6.004 1.00 43.12 C ATOM 694 CG GLN A 41 -7.941 -2.924 6.720 1.00 2.43 C ATOM 695 CD GLN A 41 -7.154 -3.886 7.620 1.00 64.23 C ATOM 696 OE1 GLN A 41 -6.014 -4.242 7.330 1.00 52.41 O ATOM 697 NE2 GLN A 41 -7.743 -4.298 8.726 1.00 42.03 N ATOM 0 H GLN A 41 -8.090 -2.651 3.880 1.00 22.50 H new ATOM 0 HA GLN A 41 -8.648 -0.488 5.584 1.00 70.24 H new ATOM 0 HB2 GLN A 41 -6.291 -2.427 5.430 1.00 43.12 H new ATOM 0 HB3 GLN A 41 -6.522 -1.305 6.756 1.00 43.12 H new ATOM 0 HG2 GLN A 41 -8.681 -2.397 7.322 1.00 2.43 H new ATOM 0 HG3 GLN A 41 -8.488 -3.501 5.974 1.00 2.43 H new ATOM 0 HE21 GLN A 41 -8.690 -3.989 8.945 1.00 42.03 H new ATOM 0 HE22 GLN A 41 -7.251 -4.926 9.362 1.00 42.03 H new ATOM 706 N LEU A 42 -5.899 -0.125 3.747 1.00 35.52 N ATOM 707 CA LEU A 42 -4.906 0.834 3.233 1.00 1.41 C ATOM 708 C LEU A 42 -5.559 1.915 2.331 1.00 54.23 C ATOM 709 O LEU A 42 -5.142 3.079 2.353 1.00 44.22 O ATOM 710 CB LEU A 42 -3.795 0.060 2.484 1.00 23.14 C ATOM 711 CG LEU A 42 -2.605 0.900 1.928 1.00 45.21 C ATOM 712 CD1 LEU A 42 -2.009 1.827 3.005 1.00 5.24 C ATOM 713 CD2 LEU A 42 -1.526 -0.026 1.341 1.00 43.13 C ATOM 0 H LEU A 42 -5.786 -1.070 3.381 1.00 35.52 H new ATOM 0 HA LEU A 42 -4.464 1.368 4.074 1.00 1.41 H new ATOM 0 HB2 LEU A 42 -3.392 -0.694 3.160 1.00 23.14 H new ATOM 0 HB3 LEU A 42 -4.254 -0.472 1.651 1.00 23.14 H new ATOM 0 HG LEU A 42 -2.989 1.537 1.131 1.00 45.21 H new ATOM 0 HD11 LEU A 42 -1.182 2.396 2.579 1.00 5.24 H new ATOM 0 HD12 LEU A 42 -2.777 2.514 3.359 1.00 5.24 H new ATOM 0 HD13 LEU A 42 -1.645 1.228 3.840 1.00 5.24 H new ATOM 0 HD21 LEU A 42 -0.701 0.574 0.957 1.00 43.13 H new ATOM 0 HD22 LEU A 42 -1.157 -0.694 2.119 1.00 43.13 H new ATOM 0 HD23 LEU A 42 -1.954 -0.616 0.530 1.00 43.13 H new ATOM 725 N ALA A 43 -6.593 1.514 1.570 1.00 43.31 N ATOM 726 CA ALA A 43 -7.360 2.427 0.689 1.00 71.15 C ATOM 727 C ALA A 43 -8.036 3.578 1.477 1.00 54.41 C ATOM 728 O ALA A 43 -8.041 4.722 1.031 1.00 41.23 O ATOM 729 CB ALA A 43 -8.412 1.640 -0.112 1.00 31.52 C ATOM 0 H ALA A 43 -6.924 0.550 1.545 1.00 43.31 H new ATOM 0 HA ALA A 43 -6.648 2.882 0.001 1.00 71.15 H new ATOM 0 HB1 ALA A 43 -8.967 2.324 -0.754 1.00 31.52 H new ATOM 0 HB2 ALA A 43 -7.915 0.889 -0.726 1.00 31.52 H new ATOM 0 HB3 ALA A 43 -9.100 1.149 0.576 1.00 31.52 H new ATOM 735 N MET A 44 -8.606 3.262 2.663 1.00 61.11 N ATOM 736 CA MET A 44 -9.258 4.280 3.528 1.00 3.24 C ATOM 737 C MET A 44 -8.233 5.085 4.373 1.00 42.42 C ATOM 738 O MET A 44 -8.479 6.250 4.698 1.00 15.24 O ATOM 739 CB MET A 44 -10.374 3.644 4.416 1.00 43.55 C ATOM 740 CG MET A 44 -9.955 2.471 5.324 1.00 21.23 C ATOM 741 SD MET A 44 -8.875 2.945 6.699 1.00 42.41 S ATOM 742 CE MET A 44 -9.940 4.002 7.681 1.00 32.24 C ATOM 0 H MET A 44 -8.629 2.316 3.044 1.00 61.11 H new ATOM 0 HA MET A 44 -9.738 4.998 2.864 1.00 3.24 H new ATOM 0 HB2 MET A 44 -10.795 4.428 5.046 1.00 43.55 H new ATOM 0 HB3 MET A 44 -11.173 3.298 3.761 1.00 43.55 H new ATOM 0 HG2 MET A 44 -10.852 2.000 5.727 1.00 21.23 H new ATOM 0 HG3 MET A 44 -9.446 1.721 4.718 1.00 21.23 H new ATOM 0 HE1 MET A 44 -9.503 4.141 8.670 1.00 32.24 H new ATOM 0 HE2 MET A 44 -10.044 4.970 7.191 1.00 32.24 H new ATOM 0 HE3 MET A 44 -10.921 3.538 7.781 1.00 32.24 H new ATOM 752 N ARG A 45 -7.089 4.455 4.724 1.00 13.33 N ATOM 753 CA ARG A 45 -5.982 5.144 5.448 1.00 2.00 C ATOM 754 C ARG A 45 -5.373 6.290 4.598 1.00 31.35 C ATOM 755 O ARG A 45 -5.253 7.419 5.061 1.00 64.24 O ATOM 756 CB ARG A 45 -4.866 4.136 5.860 1.00 43.10 C ATOM 757 CG ARG A 45 -5.260 3.098 6.946 1.00 3.41 C ATOM 758 CD ARG A 45 -5.307 3.671 8.387 1.00 2.42 C ATOM 759 NE ARG A 45 -6.412 4.631 8.625 1.00 71.02 N ATOM 760 CZ ARG A 45 -6.809 5.050 9.814 1.00 73.52 C ATOM 761 NH1 ARG A 45 -6.288 4.584 10.901 1.00 2.12 N ATOM 762 NH2 ARG A 45 -7.758 5.916 9.905 1.00 63.24 N ATOM 0 H ARG A 45 -6.903 3.473 4.521 1.00 13.33 H new ATOM 0 HA ARG A 45 -6.412 5.578 6.351 1.00 2.00 H new ATOM 0 HB2 ARG A 45 -4.543 3.597 4.969 1.00 43.10 H new ATOM 0 HB3 ARG A 45 -4.007 4.702 6.220 1.00 43.10 H new ATOM 0 HG2 ARG A 45 -6.238 2.685 6.699 1.00 3.41 H new ATOM 0 HG3 ARG A 45 -4.549 2.272 6.918 1.00 3.41 H new ATOM 0 HD2 ARG A 45 -5.401 2.845 9.091 1.00 2.42 H new ATOM 0 HD3 ARG A 45 -4.359 4.165 8.600 1.00 2.42 H new ATOM 0 HE ARG A 45 -6.903 4.996 7.809 1.00 71.02 H new ATOM 0 HH11 ARG A 45 -5.554 3.877 10.853 1.00 2.12 H new ATOM 0 HH12 ARG A 45 -6.611 4.923 11.807 1.00 2.12 H new ATOM 0 HH21 ARG A 45 -8.202 6.277 9.060 1.00 63.24 H new ATOM 0 HH22 ARG A 45 -8.066 6.241 10.822 1.00 63.24 H new ATOM 776 N THR A 46 -5.025 5.974 3.339 1.00 43.12 N ATOM 777 CA THR A 46 -4.342 6.919 2.416 1.00 44.03 C ATOM 778 C THR A 46 -5.323 7.718 1.516 1.00 71.40 C ATOM 779 O THR A 46 -4.936 8.744 0.956 1.00 54.01 O ATOM 780 CB THR A 46 -3.337 6.157 1.490 1.00 73.15 C ATOM 781 OG1 THR A 46 -4.037 5.162 0.719 1.00 41.11 O ATOM 782 CG2 THR A 46 -2.210 5.491 2.285 1.00 43.43 C ATOM 0 H THR A 46 -5.206 5.059 2.925 1.00 43.12 H new ATOM 0 HA THR A 46 -3.819 7.628 3.058 1.00 44.03 H new ATOM 0 HB THR A 46 -2.884 6.894 0.826 1.00 73.15 H new ATOM 0 HG1 THR A 46 -4.310 4.426 1.306 1.00 41.11 H new ATOM 0 HG21 THR A 46 -1.538 4.974 1.600 1.00 43.43 H new ATOM 0 HG22 THR A 46 -1.654 6.251 2.835 1.00 43.43 H new ATOM 0 HG23 THR A 46 -2.635 4.773 2.987 1.00 43.43 H new ATOM 790 N ASP A 47 -6.570 7.217 1.371 1.00 65.25 N ATOM 791 CA ASP A 47 -7.601 7.761 0.428 1.00 55.41 C ATOM 792 C ASP A 47 -7.204 7.483 -1.065 1.00 63.42 C ATOM 793 O ASP A 47 -7.750 8.082 -2.000 1.00 71.11 O ATOM 794 CB ASP A 47 -7.891 9.276 0.702 1.00 43.42 C ATOM 795 CG ASP A 47 -9.212 9.791 0.094 1.00 30.01 C ATOM 796 OD1 ASP A 47 -10.284 9.467 0.644 1.00 3.10 O ATOM 797 OD2 ASP A 47 -9.186 10.538 -0.912 1.00 63.31 O ATOM 0 H ASP A 47 -6.903 6.415 1.906 1.00 65.25 H new ATOM 0 HA ASP A 47 -8.536 7.232 0.610 1.00 55.41 H new ATOM 0 HB2 ASP A 47 -7.912 9.440 1.779 1.00 43.42 H new ATOM 0 HB3 ASP A 47 -7.067 9.869 0.305 1.00 43.42 H new ATOM 802 N LEU A 48 -6.266 6.534 -1.268 1.00 2.14 N ATOM 803 CA LEU A 48 -5.855 6.070 -2.613 1.00 51.41 C ATOM 804 C LEU A 48 -6.747 4.892 -3.063 1.00 74.54 C ATOM 805 O LEU A 48 -7.168 4.082 -2.235 1.00 64.40 O ATOM 806 CB LEU A 48 -4.365 5.623 -2.599 1.00 5.03 C ATOM 807 CG LEU A 48 -3.317 6.715 -2.215 1.00 42.31 C ATOM 808 CD1 LEU A 48 -1.904 6.104 -2.070 1.00 4.50 C ATOM 809 CD2 LEU A 48 -3.327 7.886 -3.221 1.00 11.11 C ATOM 0 H LEU A 48 -5.772 6.068 -0.507 1.00 2.14 H new ATOM 0 HA LEU A 48 -5.970 6.896 -3.315 1.00 51.41 H new ATOM 0 HB2 LEU A 48 -4.264 4.792 -1.901 1.00 5.03 H new ATOM 0 HB3 LEU A 48 -4.113 5.241 -3.588 1.00 5.03 H new ATOM 0 HG LEU A 48 -3.602 7.121 -1.244 1.00 42.31 H new ATOM 0 HD11 LEU A 48 -1.195 6.887 -1.802 1.00 4.50 H new ATOM 0 HD12 LEU A 48 -1.915 5.342 -1.290 1.00 4.50 H new ATOM 0 HD13 LEU A 48 -1.605 5.651 -3.015 1.00 4.50 H new ATOM 0 HD21 LEU A 48 -2.586 8.628 -2.923 1.00 11.11 H new ATOM 0 HD22 LEU A 48 -3.087 7.512 -4.217 1.00 11.11 H new ATOM 0 HD23 LEU A 48 -4.315 8.346 -3.234 1.00 11.11 H new ATOM 821 N THR A 49 -7.039 4.806 -4.378 1.00 52.43 N ATOM 822 CA THR A 49 -7.779 3.655 -4.954 1.00 2.41 C ATOM 823 C THR A 49 -6.935 2.363 -4.883 1.00 10.31 C ATOM 824 O THR A 49 -5.710 2.431 -4.763 1.00 63.54 O ATOM 825 CB THR A 49 -8.186 3.897 -6.448 1.00 51.10 C ATOM 826 OG1 THR A 49 -7.011 4.035 -7.268 1.00 0.21 O ATOM 827 CG2 THR A 49 -9.080 5.139 -6.609 1.00 22.33 C ATOM 0 H THR A 49 -6.776 5.516 -5.062 1.00 52.43 H new ATOM 0 HA THR A 49 -8.684 3.547 -4.356 1.00 2.41 H new ATOM 0 HB THR A 49 -8.760 3.029 -6.772 1.00 51.10 H new ATOM 0 HG1 THR A 49 -7.278 4.184 -8.199 1.00 0.21 H new ATOM 0 HG21 THR A 49 -9.338 5.268 -7.660 1.00 22.33 H new ATOM 0 HG22 THR A 49 -9.991 5.009 -6.025 1.00 22.33 H new ATOM 0 HG23 THR A 49 -8.545 6.021 -6.256 1.00 22.33 H new ATOM 835 N GLU A 50 -7.596 1.193 -4.978 1.00 62.01 N ATOM 836 CA GLU A 50 -6.907 -0.121 -5.023 1.00 61.32 C ATOM 837 C GLU A 50 -5.880 -0.171 -6.191 1.00 32.01 C ATOM 838 O GLU A 50 -4.791 -0.736 -6.060 1.00 72.54 O ATOM 839 CB GLU A 50 -7.954 -1.257 -5.186 1.00 50.02 C ATOM 840 CG GLU A 50 -7.374 -2.689 -5.111 1.00 74.04 C ATOM 841 CD GLU A 50 -8.363 -3.774 -5.579 1.00 12.01 C ATOM 842 OE1 GLU A 50 -9.181 -4.254 -4.765 1.00 44.34 O ATOM 843 OE2 GLU A 50 -8.332 -4.147 -6.776 1.00 54.45 O ATOM 0 H GLU A 50 -8.613 1.127 -5.026 1.00 62.01 H new ATOM 0 HA GLU A 50 -6.365 -0.259 -4.087 1.00 61.32 H new ATOM 0 HB2 GLU A 50 -8.713 -1.146 -4.411 1.00 50.02 H new ATOM 0 HB3 GLU A 50 -8.457 -1.134 -6.145 1.00 50.02 H new ATOM 0 HG2 GLU A 50 -6.473 -2.741 -5.722 1.00 74.04 H new ATOM 0 HG3 GLU A 50 -7.075 -2.899 -4.084 1.00 74.04 H new ATOM 850 N ALA A 51 -6.255 0.458 -7.319 1.00 11.31 N ATOM 851 CA ALA A 51 -5.400 0.579 -8.519 1.00 13.21 C ATOM 852 C ALA A 51 -4.175 1.510 -8.286 1.00 33.52 C ATOM 853 O ALA A 51 -3.107 1.287 -8.862 1.00 45.23 O ATOM 854 CB ALA A 51 -6.240 1.087 -9.700 1.00 20.42 C ATOM 0 H ALA A 51 -7.167 0.901 -7.427 1.00 11.31 H new ATOM 0 HA ALA A 51 -5.005 -0.412 -8.744 1.00 13.21 H new ATOM 0 HB1 ALA A 51 -5.609 1.176 -10.584 1.00 20.42 H new ATOM 0 HB2 ALA A 51 -7.048 0.384 -9.901 1.00 20.42 H new ATOM 0 HB3 ALA A 51 -6.660 2.062 -9.455 1.00 20.42 H new ATOM 860 N ARG A 52 -4.344 2.556 -7.453 1.00 60.41 N ATOM 861 CA ARG A 52 -3.250 3.513 -7.130 1.00 42.41 C ATOM 862 C ARG A 52 -2.245 2.883 -6.130 1.00 10.13 C ATOM 863 O ARG A 52 -1.025 3.041 -6.264 1.00 62.40 O ATOM 864 CB ARG A 52 -3.840 4.832 -6.557 1.00 1.41 C ATOM 865 CG ARG A 52 -2.864 6.028 -6.555 1.00 44.23 C ATOM 866 CD ARG A 52 -2.450 6.447 -7.981 1.00 65.34 C ATOM 867 NE ARG A 52 -1.672 7.697 -7.994 1.00 24.44 N ATOM 868 CZ ARG A 52 -1.512 8.487 -9.038 1.00 1.33 C ATOM 869 NH1 ARG A 52 -2.018 8.190 -10.201 1.00 53.34 N ATOM 870 NH2 ARG A 52 -0.851 9.591 -8.899 1.00 72.25 N ATOM 0 H ARG A 52 -5.227 2.766 -6.987 1.00 60.41 H new ATOM 0 HA ARG A 52 -2.712 3.744 -8.049 1.00 42.41 H new ATOM 0 HB2 ARG A 52 -4.722 5.102 -7.137 1.00 1.41 H new ATOM 0 HB3 ARG A 52 -4.174 4.651 -5.535 1.00 1.41 H new ATOM 0 HG2 ARG A 52 -3.331 6.874 -6.051 1.00 44.23 H new ATOM 0 HG3 ARG A 52 -1.974 5.767 -5.982 1.00 44.23 H new ATOM 0 HD2 ARG A 52 -1.860 5.650 -8.434 1.00 65.34 H new ATOM 0 HD3 ARG A 52 -3.343 6.571 -8.594 1.00 65.34 H new ATOM 0 HE ARG A 52 -1.219 7.975 -7.123 1.00 24.44 H new ATOM 0 HH11 ARG A 52 -2.552 7.329 -10.320 1.00 53.34 H new ATOM 0 HH12 ARG A 52 -1.880 8.818 -10.993 1.00 53.34 H new ATOM 0 HH21 ARG A 52 -0.461 9.841 -7.990 1.00 72.25 H new ATOM 0 HH22 ARG A 52 -0.720 10.211 -9.698 1.00 72.25 H new ATOM 884 N VAL A 53 -2.801 2.179 -5.128 1.00 14.40 N ATOM 885 CA VAL A 53 -2.040 1.331 -4.178 1.00 74.13 C ATOM 886 C VAL A 53 -1.236 0.240 -4.943 1.00 55.22 C ATOM 887 O VAL A 53 -0.078 -0.035 -4.620 1.00 14.22 O ATOM 888 CB VAL A 53 -3.032 0.678 -3.129 1.00 24.42 C ATOM 889 CG1 VAL A 53 -2.347 -0.383 -2.234 1.00 75.12 C ATOM 890 CG2 VAL A 53 -3.709 1.770 -2.255 1.00 52.22 C ATOM 0 H VAL A 53 -3.805 2.180 -4.948 1.00 14.40 H new ATOM 0 HA VAL A 53 -1.325 1.953 -3.638 1.00 74.13 H new ATOM 0 HB VAL A 53 -3.797 0.159 -3.707 1.00 24.42 H new ATOM 0 HG11 VAL A 53 -3.075 -0.795 -1.536 1.00 75.12 H new ATOM 0 HG12 VAL A 53 -1.949 -1.183 -2.858 1.00 75.12 H new ATOM 0 HG13 VAL A 53 -1.533 0.081 -1.677 1.00 75.12 H new ATOM 0 HG21 VAL A 53 -4.385 1.298 -1.542 1.00 52.22 H new ATOM 0 HG22 VAL A 53 -2.945 2.329 -1.715 1.00 52.22 H new ATOM 0 HG23 VAL A 53 -4.272 2.450 -2.894 1.00 52.22 H new ATOM 900 N GLN A 54 -1.867 -0.331 -5.989 1.00 22.43 N ATOM 901 CA GLN A 54 -1.232 -1.332 -6.885 1.00 4.13 C ATOM 902 C GLN A 54 0.059 -0.773 -7.535 1.00 44.01 C ATOM 903 O GLN A 54 1.102 -1.415 -7.469 1.00 60.45 O ATOM 904 CB GLN A 54 -2.227 -1.780 -7.989 1.00 44.21 C ATOM 905 CG GLN A 54 -1.693 -2.855 -8.968 1.00 23.53 C ATOM 906 CD GLN A 54 -2.679 -3.209 -10.085 1.00 73.42 C ATOM 907 OE1 GLN A 54 -3.473 -2.379 -10.525 1.00 1.34 O ATOM 908 NE2 GLN A 54 -2.637 -4.443 -10.556 1.00 63.41 N ATOM 0 H GLN A 54 -2.831 -0.114 -6.241 1.00 22.43 H new ATOM 0 HA GLN A 54 -0.960 -2.194 -6.275 1.00 4.13 H new ATOM 0 HB2 GLN A 54 -3.127 -2.165 -7.509 1.00 44.21 H new ATOM 0 HB3 GLN A 54 -2.523 -0.903 -8.565 1.00 44.21 H new ATOM 0 HG2 GLN A 54 -0.764 -2.499 -9.414 1.00 23.53 H new ATOM 0 HG3 GLN A 54 -1.452 -3.758 -8.407 1.00 23.53 H new ATOM 0 HE21 GLN A 54 -1.969 -5.112 -10.174 1.00 63.41 H new ATOM 0 HE22 GLN A 54 -3.273 -4.726 -11.302 1.00 63.41 H new ATOM 917 N VAL A 55 -0.036 0.442 -8.125 1.00 3.52 N ATOM 918 CA VAL A 55 1.108 1.115 -8.802 1.00 24.21 C ATOM 919 C VAL A 55 2.343 1.230 -7.873 1.00 21.00 C ATOM 920 O VAL A 55 3.460 0.847 -8.260 1.00 71.43 O ATOM 921 CB VAL A 55 0.712 2.550 -9.330 1.00 75.53 C ATOM 922 CG1 VAL A 55 1.919 3.290 -9.973 1.00 53.44 C ATOM 923 CG2 VAL A 55 -0.466 2.467 -10.329 1.00 62.05 C ATOM 0 H VAL A 55 -0.900 0.984 -8.148 1.00 3.52 H new ATOM 0 HA VAL A 55 1.370 0.487 -9.653 1.00 24.21 H new ATOM 0 HB VAL A 55 0.395 3.131 -8.464 1.00 75.53 H new ATOM 0 HG11 VAL A 55 1.600 4.272 -10.322 1.00 53.44 H new ATOM 0 HG12 VAL A 55 2.710 3.407 -9.233 1.00 53.44 H new ATOM 0 HG13 VAL A 55 2.294 2.710 -10.816 1.00 53.44 H new ATOM 0 HG21 VAL A 55 -0.719 3.468 -10.677 1.00 62.05 H new ATOM 0 HG22 VAL A 55 -0.179 1.849 -11.180 1.00 62.05 H new ATOM 0 HG23 VAL A 55 -1.331 2.025 -9.835 1.00 62.05 H new ATOM 933 N TRP A 56 2.111 1.724 -6.641 1.00 45.22 N ATOM 934 CA TRP A 56 3.176 1.901 -5.631 1.00 45.05 C ATOM 935 C TRP A 56 3.833 0.537 -5.287 1.00 73.45 C ATOM 936 O TRP A 56 5.053 0.412 -5.324 1.00 11.13 O ATOM 937 CB TRP A 56 2.613 2.574 -4.349 1.00 35.05 C ATOM 938 CG TRP A 56 3.675 3.019 -3.353 1.00 21.30 C ATOM 939 CD1 TRP A 56 4.353 4.212 -3.349 1.00 44.32 C ATOM 940 CD2 TRP A 56 4.178 2.281 -2.222 1.00 12.54 C ATOM 941 NE1 TRP A 56 5.224 4.258 -2.292 1.00 20.34 N ATOM 942 CE2 TRP A 56 5.139 3.089 -1.587 1.00 71.12 C ATOM 943 CE3 TRP A 56 3.906 1.022 -1.690 1.00 51.12 C ATOM 944 CZ2 TRP A 56 5.823 2.683 -0.445 1.00 34.31 C ATOM 945 CZ3 TRP A 56 4.582 0.616 -0.556 1.00 22.02 C ATOM 946 CH2 TRP A 56 5.532 1.442 0.055 1.00 34.10 C ATOM 0 H TRP A 56 1.187 2.010 -6.318 1.00 45.22 H new ATOM 0 HA TRP A 56 3.940 2.555 -6.052 1.00 45.05 H new ATOM 0 HB2 TRP A 56 2.019 3.441 -4.639 1.00 35.05 H new ATOM 0 HB3 TRP A 56 1.938 1.876 -3.854 1.00 35.05 H new ATOM 0 HD1 TRP A 56 4.219 5.001 -4.074 1.00 44.32 H new ATOM 0 HE1 TRP A 56 5.839 5.040 -2.067 1.00 20.34 H new ATOM 0 HE3 TRP A 56 3.179 0.374 -2.157 1.00 51.12 H new ATOM 0 HZ2 TRP A 56 6.554 3.322 0.028 1.00 34.31 H new ATOM 0 HZ3 TRP A 56 4.374 -0.356 -0.134 1.00 22.02 H new ATOM 0 HH2 TRP A 56 6.046 1.094 0.939 1.00 34.10 H new ATOM 957 N PHE A 57 2.996 -0.481 -4.993 1.00 1.12 N ATOM 958 CA PHE A 57 3.466 -1.844 -4.619 1.00 53.54 C ATOM 959 C PHE A 57 4.119 -2.612 -5.795 1.00 42.41 C ATOM 960 O PHE A 57 4.919 -3.512 -5.555 1.00 42.32 O ATOM 961 CB PHE A 57 2.310 -2.676 -3.987 1.00 13.24 C ATOM 962 CG PHE A 57 2.094 -2.388 -2.501 1.00 12.04 C ATOM 963 CD1 PHE A 57 1.256 -1.362 -2.074 1.00 52.41 C ATOM 964 CD2 PHE A 57 2.755 -3.138 -1.528 1.00 44.25 C ATOM 965 CE1 PHE A 57 1.084 -1.098 -0.731 1.00 61.14 C ATOM 966 CE2 PHE A 57 2.581 -2.867 -0.185 1.00 41.14 C ATOM 967 CZ PHE A 57 1.746 -1.849 0.214 1.00 71.24 C ATOM 0 H PHE A 57 1.980 -0.388 -5.006 1.00 1.12 H new ATOM 0 HA PHE A 57 4.249 -1.703 -3.874 1.00 53.54 H new ATOM 0 HB2 PHE A 57 1.386 -2.469 -4.527 1.00 13.24 H new ATOM 0 HB3 PHE A 57 2.524 -3.737 -4.116 1.00 13.24 H new ATOM 0 HD1 PHE A 57 0.733 -0.764 -2.805 1.00 52.41 H new ATOM 0 HD2 PHE A 57 3.411 -3.941 -1.829 1.00 44.25 H new ATOM 0 HE1 PHE A 57 0.427 -0.299 -0.420 1.00 61.14 H new ATOM 0 HE2 PHE A 57 3.102 -3.456 0.555 1.00 41.14 H new ATOM 0 HZ PHE A 57 1.610 -1.640 1.265 1.00 71.24 H new ATOM 977 N GLN A 58 3.795 -2.265 -7.050 1.00 21.42 N ATOM 978 CA GLN A 58 4.462 -2.871 -8.229 1.00 65.22 C ATOM 979 C GLN A 58 5.918 -2.362 -8.343 1.00 11.23 C ATOM 980 O GLN A 58 6.844 -3.141 -8.588 1.00 44.15 O ATOM 981 CB GLN A 58 3.667 -2.586 -9.533 1.00 21.10 C ATOM 982 CG GLN A 58 2.334 -3.358 -9.660 1.00 25.33 C ATOM 983 CD GLN A 58 2.518 -4.880 -9.722 1.00 21.31 C ATOM 984 OE1 GLN A 58 2.535 -5.564 -8.701 1.00 24.20 O ATOM 985 NE2 GLN A 58 2.659 -5.420 -10.922 1.00 35.13 N ATOM 0 H GLN A 58 3.081 -1.574 -7.281 1.00 21.42 H new ATOM 0 HA GLN A 58 4.485 -3.952 -8.090 1.00 65.22 H new ATOM 0 HB2 GLN A 58 3.459 -1.518 -9.589 1.00 21.10 H new ATOM 0 HB3 GLN A 58 4.297 -2.833 -10.388 1.00 21.10 H new ATOM 0 HG2 GLN A 58 1.696 -3.110 -8.811 1.00 25.33 H new ATOM 0 HG3 GLN A 58 1.813 -3.025 -10.558 1.00 25.33 H new ATOM 0 HE21 GLN A 58 2.641 -4.828 -11.753 1.00 35.13 H new ATOM 0 HE22 GLN A 58 2.786 -6.428 -11.016 1.00 35.13 H new ATOM 994 N ASN A 59 6.103 -1.045 -8.128 1.00 32.53 N ATOM 995 CA ASN A 59 7.443 -0.422 -8.103 1.00 71.10 C ATOM 996 C ASN A 59 8.178 -0.695 -6.767 1.00 64.12 C ATOM 997 O ASN A 59 9.405 -0.631 -6.720 1.00 62.32 O ATOM 998 CB ASN A 59 7.346 1.105 -8.368 1.00 21.43 C ATOM 999 CG ASN A 59 6.935 1.430 -9.806 1.00 30.44 C ATOM 1000 OD1 ASN A 59 7.776 1.504 -10.698 1.00 60.42 O ATOM 1001 ND2 ASN A 59 5.656 1.645 -10.045 1.00 3.44 N ATOM 0 H ASN A 59 5.339 -0.389 -7.968 1.00 32.53 H new ATOM 0 HA ASN A 59 8.028 -0.878 -8.901 1.00 71.10 H new ATOM 0 HB2 ASN A 59 6.623 1.544 -7.680 1.00 21.43 H new ATOM 0 HB3 ASN A 59 8.310 1.568 -8.156 1.00 21.43 H new ATOM 0 HD21 ASN A 59 5.346 1.879 -10.988 1.00 3.44 H new ATOM 0 HD22 ASN A 59 4.977 1.577 -9.287 1.00 3.44 H new ATOM 1008 N ARG A 60 7.424 -1.004 -5.690 1.00 11.12 N ATOM 1009 CA ARG A 60 8.013 -1.241 -4.348 1.00 71.21 C ATOM 1010 C ARG A 60 8.559 -2.676 -4.216 1.00 34.33 C ATOM 1011 O ARG A 60 9.681 -2.866 -3.754 1.00 31.53 O ATOM 1012 CB ARG A 60 6.992 -0.965 -3.215 1.00 73.11 C ATOM 1013 CG ARG A 60 7.613 -1.014 -1.800 1.00 1.22 C ATOM 1014 CD ARG A 60 8.721 0.043 -1.622 1.00 30.10 C ATOM 1015 NE ARG A 60 9.442 -0.097 -0.351 1.00 32.22 N ATOM 1016 CZ ARG A 60 10.665 -0.564 -0.209 1.00 41.45 C ATOM 1017 NH1 ARG A 60 11.311 -1.099 -1.212 1.00 14.10 N ATOM 1018 NH2 ARG A 60 11.231 -0.505 0.952 1.00 22.12 N ATOM 0 H ARG A 60 6.409 -1.096 -5.720 1.00 11.12 H new ATOM 0 HA ARG A 60 8.841 -0.540 -4.245 1.00 71.21 H new ATOM 0 HB2 ARG A 60 6.543 0.016 -3.372 1.00 73.11 H new ATOM 0 HB3 ARG A 60 6.187 -1.698 -3.276 1.00 73.11 H new ATOM 0 HG2 ARG A 60 6.834 -0.852 -1.056 1.00 1.22 H new ATOM 0 HG3 ARG A 60 8.025 -2.007 -1.619 1.00 1.22 H new ATOM 0 HD2 ARG A 60 9.429 -0.037 -2.447 1.00 30.10 H new ATOM 0 HD3 ARG A 60 8.280 1.038 -1.676 1.00 30.10 H new ATOM 0 HE ARG A 60 8.953 0.193 0.496 1.00 32.22 H new ATOM 0 HH11 ARG A 60 10.868 -1.161 -2.129 1.00 14.10 H new ATOM 0 HH12 ARG A 60 12.258 -1.454 -1.078 1.00 14.10 H new ATOM 0 HH21 ARG A 60 10.731 -0.101 1.743 1.00 22.12 H new ATOM 0 HH22 ARG A 60 12.178 -0.863 1.076 1.00 22.12 H new ATOM 1032 N ARG A 61 7.734 -3.674 -4.585 1.00 34.33 N ATOM 1033 CA ARG A 61 8.151 -5.099 -4.630 1.00 33.23 C ATOM 1034 C ARG A 61 9.349 -5.298 -5.592 1.00 71.12 C ATOM 1035 O ARG A 61 10.219 -6.130 -5.339 1.00 73.44 O ATOM 1036 CB ARG A 61 6.954 -5.996 -5.049 1.00 52.44 C ATOM 1037 CG ARG A 61 5.852 -6.155 -3.970 1.00 70.02 C ATOM 1038 CD ARG A 61 4.584 -6.856 -4.512 1.00 4.52 C ATOM 1039 NE ARG A 61 4.891 -8.137 -5.187 1.00 31.31 N ATOM 1040 CZ ARG A 61 4.552 -8.460 -6.427 1.00 34.34 C ATOM 1041 NH1 ARG A 61 3.896 -7.634 -7.192 1.00 14.11 N ATOM 1042 NH2 ARG A 61 4.881 -9.624 -6.890 1.00 12.20 N ATOM 0 H ARG A 61 6.764 -3.522 -4.860 1.00 34.33 H new ATOM 0 HA ARG A 61 8.474 -5.393 -3.631 1.00 33.23 H new ATOM 0 HB2 ARG A 61 6.503 -5.579 -5.950 1.00 52.44 H new ATOM 0 HB3 ARG A 61 7.333 -6.984 -5.310 1.00 52.44 H new ATOM 0 HG2 ARG A 61 6.249 -6.728 -3.132 1.00 70.02 H new ATOM 0 HG3 ARG A 61 5.582 -5.172 -3.584 1.00 70.02 H new ATOM 0 HD2 ARG A 61 3.894 -7.039 -3.689 1.00 4.52 H new ATOM 0 HD3 ARG A 61 4.077 -6.192 -5.212 1.00 4.52 H new ATOM 0 HE ARG A 61 5.409 -8.833 -4.651 1.00 31.31 H new ATOM 0 HH11 ARG A 61 3.631 -6.714 -6.840 1.00 14.11 H new ATOM 0 HH12 ARG A 61 3.647 -7.907 -8.143 1.00 14.11 H new ATOM 0 HH21 ARG A 61 5.395 -10.280 -6.302 1.00 12.20 H new ATOM 0 HH22 ARG A 61 4.626 -9.885 -7.843 1.00 12.20 H new ATOM 1056 N ALA A 62 9.373 -4.513 -6.692 1.00 4.43 N ATOM 1057 CA ALA A 62 10.535 -4.447 -7.603 1.00 72.53 C ATOM 1058 C ALA A 62 11.773 -3.871 -6.863 1.00 41.31 C ATOM 1059 O ALA A 62 12.786 -4.540 -6.734 1.00 54.24 O ATOM 1060 CB ALA A 62 10.189 -3.607 -8.842 1.00 40.34 C ATOM 0 H ALA A 62 8.596 -3.914 -6.970 1.00 4.43 H new ATOM 0 HA ALA A 62 10.783 -5.456 -7.934 1.00 72.53 H new ATOM 0 HB1 ALA A 62 11.052 -3.565 -9.506 1.00 40.34 H new ATOM 0 HB2 ALA A 62 9.349 -4.062 -9.367 1.00 40.34 H new ATOM 0 HB3 ALA A 62 9.920 -2.597 -8.533 1.00 40.34 H new ATOM 1066 N LYS A 63 11.624 -2.648 -6.317 1.00 64.41 N ATOM 1067 CA LYS A 63 12.688 -1.918 -5.556 1.00 44.34 C ATOM 1068 C LYS A 63 13.286 -2.757 -4.383 1.00 12.24 C ATOM 1069 O LYS A 63 14.467 -2.623 -4.035 1.00 2.34 O ATOM 1070 CB LYS A 63 12.071 -0.597 -5.018 1.00 42.51 C ATOM 1071 CG LYS A 63 13.004 0.281 -4.166 1.00 31.12 C ATOM 1072 CD LYS A 63 12.334 1.596 -3.711 1.00 34.44 C ATOM 1073 CE LYS A 63 13.259 2.449 -2.828 1.00 2.25 C ATOM 1074 NZ LYS A 63 14.539 2.788 -3.513 1.00 44.23 N ATOM 0 H LYS A 63 10.753 -2.122 -6.387 1.00 64.41 H new ATOM 0 HA LYS A 63 13.519 -1.718 -6.232 1.00 44.34 H new ATOM 0 HB2 LYS A 63 11.724 -0.008 -5.867 1.00 42.51 H new ATOM 0 HB3 LYS A 63 11.193 -0.845 -4.422 1.00 42.51 H new ATOM 0 HG2 LYS A 63 13.324 -0.281 -3.289 1.00 31.12 H new ATOM 0 HG3 LYS A 63 13.901 0.515 -4.740 1.00 31.12 H new ATOM 0 HD2 LYS A 63 12.039 2.173 -4.588 1.00 34.44 H new ATOM 0 HD3 LYS A 63 11.422 1.365 -3.160 1.00 34.44 H new ATOM 0 HE2 LYS A 63 12.745 3.368 -2.548 1.00 2.25 H new ATOM 0 HE3 LYS A 63 13.475 1.911 -1.905 1.00 2.25 H new ATOM 0 HZ1 LYS A 63 15.062 3.485 -2.946 1.00 44.23 H new ATOM 0 HZ2 LYS A 63 15.113 1.928 -3.621 1.00 44.23 H new ATOM 0 HZ3 LYS A 63 14.335 3.188 -4.451 1.00 44.23 H new ATOM 1088 N TRP A 64 12.437 -3.609 -3.798 1.00 23.45 N ATOM 1089 CA TRP A 64 12.778 -4.497 -2.662 1.00 25.13 C ATOM 1090 C TRP A 64 13.522 -5.781 -3.136 1.00 4.43 C ATOM 1091 O TRP A 64 14.437 -6.266 -2.461 1.00 50.24 O ATOM 1092 CB TRP A 64 11.454 -4.839 -1.921 1.00 33.40 C ATOM 1093 CG TRP A 64 11.568 -5.816 -0.772 1.00 11.34 C ATOM 1094 CD1 TRP A 64 11.935 -5.549 0.518 1.00 53.24 C ATOM 1095 CD2 TRP A 64 11.275 -7.219 -0.821 1.00 34.40 C ATOM 1096 NE1 TRP A 64 11.896 -6.701 1.264 1.00 32.23 N ATOM 1097 CE2 TRP A 64 11.496 -7.739 0.463 1.00 10.42 C ATOM 1098 CE3 TRP A 64 10.854 -8.077 -1.840 1.00 24.53 C ATOM 1099 CZ2 TRP A 64 11.306 -9.087 0.761 1.00 2.54 C ATOM 1100 CZ3 TRP A 64 10.663 -9.415 -1.547 1.00 32.52 C ATOM 1101 CH2 TRP A 64 10.890 -9.909 -0.253 1.00 75.12 C ATOM 0 H TRP A 64 11.469 -3.709 -4.103 1.00 23.45 H new ATOM 0 HA TRP A 64 13.466 -3.990 -1.985 1.00 25.13 H new ATOM 0 HB2 TRP A 64 11.024 -3.912 -1.542 1.00 33.40 H new ATOM 0 HB3 TRP A 64 10.749 -5.244 -2.647 1.00 33.40 H new ATOM 0 HD1 TRP A 64 12.214 -4.576 0.894 1.00 53.24 H new ATOM 0 HE1 TRP A 64 12.127 -6.773 2.255 1.00 32.23 H new ATOM 0 HE3 TRP A 64 10.681 -7.702 -2.838 1.00 24.53 H new ATOM 0 HZ2 TRP A 64 11.480 -9.470 1.756 1.00 2.54 H new ATOM 0 HZ3 TRP A 64 10.335 -10.089 -2.324 1.00 32.52 H new ATOM 0 HH2 TRP A 64 10.734 -10.959 -0.053 1.00 75.12 H new ATOM 1112 N ARG A 65 13.110 -6.312 -4.297 1.00 51.51 N ATOM 1113 CA ARG A 65 13.667 -7.559 -4.887 1.00 11.11 C ATOM 1114 C ARG A 65 14.959 -7.269 -5.698 1.00 44.54 C ATOM 1115 O ARG A 65 16.053 -7.729 -5.349 1.00 40.35 O ATOM 1116 CB ARG A 65 12.574 -8.197 -5.787 1.00 13.11 C ATOM 1117 CG ARG A 65 12.993 -9.445 -6.600 1.00 2.24 C ATOM 1118 CD ARG A 65 11.819 -10.004 -7.428 1.00 42.53 C ATOM 1119 NE ARG A 65 12.223 -11.106 -8.326 1.00 4.12 N ATOM 1120 CZ ARG A 65 11.638 -12.284 -8.400 1.00 23.31 C ATOM 1121 NH1 ARG A 65 10.705 -12.635 -7.558 1.00 22.43 N ATOM 1122 NH2 ARG A 65 12.011 -13.122 -9.310 1.00 14.42 N ATOM 0 H ARG A 65 12.375 -5.891 -4.865 1.00 51.51 H new ATOM 0 HA ARG A 65 13.944 -8.251 -4.092 1.00 11.11 H new ATOM 0 HB2 ARG A 65 11.728 -8.469 -5.156 1.00 13.11 H new ATOM 0 HB3 ARG A 65 12.220 -7.438 -6.485 1.00 13.11 H new ATOM 0 HG2 ARG A 65 13.817 -9.187 -7.265 1.00 2.24 H new ATOM 0 HG3 ARG A 65 13.360 -10.215 -5.922 1.00 2.24 H new ATOM 0 HD2 ARG A 65 11.041 -10.359 -6.752 1.00 42.53 H new ATOM 0 HD3 ARG A 65 11.384 -9.200 -8.021 1.00 42.53 H new ATOM 0 HE ARG A 65 13.021 -10.941 -8.939 1.00 4.12 H new ATOM 0 HH11 ARG A 65 10.414 -11.992 -6.822 1.00 22.43 H new ATOM 0 HH12 ARG A 65 10.267 -13.553 -7.636 1.00 22.43 H new ATOM 0 HH21 ARG A 65 12.752 -12.869 -9.963 1.00 14.42 H new ATOM 0 HH22 ARG A 65 11.564 -14.037 -9.375 1.00 14.42 H new ATOM 1136 N LYS A 66 14.795 -6.497 -6.781 1.00 43.44 N ATOM 1137 CA LYS A 66 15.884 -6.098 -7.698 1.00 11.35 C ATOM 1138 C LYS A 66 15.574 -4.701 -8.273 1.00 52.41 C ATOM 1139 O LYS A 66 14.495 -4.508 -8.840 1.00 30.21 O ATOM 1140 CB LYS A 66 16.007 -7.131 -8.858 1.00 4.44 C ATOM 1141 CG LYS A 66 17.122 -6.833 -9.893 1.00 33.23 C ATOM 1142 CD LYS A 66 18.555 -6.987 -9.320 1.00 5.14 C ATOM 1143 CE LYS A 66 18.870 -8.432 -8.886 1.00 52.12 C ATOM 1144 NZ LYS A 66 20.262 -8.575 -8.391 1.00 21.45 N ATOM 0 H LYS A 66 13.886 -6.123 -7.054 1.00 43.44 H new ATOM 0 HA LYS A 66 16.827 -6.068 -7.152 1.00 11.35 H new ATOM 0 HB2 LYS A 66 16.187 -8.116 -8.428 1.00 4.44 H new ATOM 0 HB3 LYS A 66 15.052 -7.181 -9.381 1.00 4.44 H new ATOM 0 HG2 LYS A 66 17.005 -7.504 -10.744 1.00 33.23 H new ATOM 0 HG3 LYS A 66 16.996 -5.817 -10.268 1.00 33.23 H new ATOM 0 HD2 LYS A 66 19.278 -6.672 -10.072 1.00 5.14 H new ATOM 0 HD3 LYS A 66 18.674 -6.321 -8.465 1.00 5.14 H new ATOM 0 HE2 LYS A 66 18.174 -8.735 -8.103 1.00 52.12 H new ATOM 0 HE3 LYS A 66 18.714 -9.105 -9.729 1.00 52.12 H new ATOM 0 HZ1 LYS A 66 20.431 -9.562 -8.110 1.00 21.45 H new ATOM 0 HZ2 LYS A 66 20.928 -8.311 -9.145 1.00 21.45 H new ATOM 0 HZ3 LYS A 66 20.404 -7.952 -7.570 1.00 21.45 H new ATOM 1158 N ARG A 67 16.512 -3.740 -8.117 1.00 13.44 N ATOM 1159 CA ARG A 67 16.343 -2.366 -8.658 1.00 34.32 C ATOM 1160 C ARG A 67 16.076 -2.418 -10.186 1.00 73.21 C ATOM 1161 O ARG A 67 17.001 -2.622 -10.976 1.00 33.31 O ATOM 1162 CB ARG A 67 17.589 -1.491 -8.352 1.00 51.45 C ATOM 1163 CG ARG A 67 17.912 -1.324 -6.849 1.00 71.32 C ATOM 1164 CD ARG A 67 19.106 -0.379 -6.601 1.00 30.14 C ATOM 1165 NE ARG A 67 20.352 -0.861 -7.236 1.00 32.03 N ATOM 1166 CZ ARG A 67 21.477 -0.179 -7.333 1.00 71.55 C ATOM 1167 NH1 ARG A 67 21.565 1.054 -6.929 1.00 35.21 N ATOM 1168 NH2 ARG A 67 22.513 -0.737 -7.871 1.00 13.50 N ATOM 0 H ARG A 67 17.392 -3.887 -7.623 1.00 13.44 H new ATOM 0 HA ARG A 67 15.483 -1.910 -8.168 1.00 34.32 H new ATOM 0 HB2 ARG A 67 18.454 -1.930 -8.848 1.00 51.45 H new ATOM 0 HB3 ARG A 67 17.438 -0.504 -8.788 1.00 51.45 H new ATOM 0 HG2 ARG A 67 17.033 -0.937 -6.333 1.00 71.32 H new ATOM 0 HG3 ARG A 67 18.130 -2.301 -6.417 1.00 71.32 H new ATOM 0 HD2 ARG A 67 18.866 0.612 -6.985 1.00 30.14 H new ATOM 0 HD3 ARG A 67 19.266 -0.275 -5.528 1.00 30.14 H new ATOM 0 HE ARG A 67 20.340 -1.801 -7.633 1.00 32.03 H new ATOM 0 HH11 ARG A 67 20.751 1.518 -6.525 1.00 35.21 H new ATOM 0 HH12 ARG A 67 22.448 1.557 -7.016 1.00 35.21 H new ATOM 0 HH21 ARG A 67 22.455 -1.695 -8.215 1.00 13.50 H new ATOM 0 HH22 ARG A 67 23.388 -0.218 -7.951 1.00 13.50 H new ATOM 1182 N GLU A 68 14.786 -2.278 -10.555 1.00 4.42 N ATOM 1183 CA GLU A 68 14.290 -2.461 -11.940 1.00 33.41 C ATOM 1184 C GLU A 68 14.993 -1.493 -12.927 1.00 12.34 C ATOM 1185 O GLU A 68 15.147 -0.301 -12.633 1.00 63.13 O ATOM 1186 CB GLU A 68 12.735 -2.287 -11.941 1.00 55.44 C ATOM 1187 CG GLU A 68 11.994 -2.635 -13.263 1.00 34.50 C ATOM 1188 CD GLU A 68 11.981 -1.499 -14.309 1.00 31.14 C ATOM 1189 OE1 GLU A 68 11.473 -0.400 -13.990 1.00 61.21 O ATOM 1190 OE2 GLU A 68 12.473 -1.699 -15.440 1.00 64.35 O ATOM 0 H GLU A 68 14.049 -2.032 -9.894 1.00 4.42 H new ATOM 0 HA GLU A 68 14.531 -3.466 -12.288 1.00 33.41 H new ATOM 0 HB2 GLU A 68 12.323 -2.908 -11.146 1.00 55.44 H new ATOM 0 HB3 GLU A 68 12.508 -1.252 -11.686 1.00 55.44 H new ATOM 0 HG2 GLU A 68 12.462 -3.514 -13.706 1.00 34.50 H new ATOM 0 HG3 GLU A 68 10.965 -2.906 -13.027 1.00 34.50 H new ATOM 1197 N ARG A 69 15.425 -2.030 -14.087 1.00 51.53 N ATOM 1198 CA ARG A 69 16.189 -1.269 -15.098 1.00 44.14 C ATOM 1199 C ARG A 69 15.660 -1.547 -16.527 1.00 2.15 C ATOM 1200 O ARG A 69 15.925 -2.611 -17.106 1.00 44.20 O ATOM 1201 CB ARG A 69 17.702 -1.618 -15.002 1.00 34.11 C ATOM 1202 CG ARG A 69 18.630 -0.778 -15.920 1.00 24.34 C ATOM 1203 CD ARG A 69 18.551 0.734 -15.630 1.00 23.32 C ATOM 1204 NE ARG A 69 18.893 1.057 -14.232 1.00 64.00 N ATOM 1205 CZ ARG A 69 18.320 1.989 -13.493 1.00 20.42 C ATOM 1206 NH1 ARG A 69 17.361 2.736 -13.956 1.00 52.25 N ATOM 1207 NH2 ARG A 69 18.710 2.156 -12.274 1.00 11.01 N ATOM 0 H ARG A 69 15.255 -3.001 -14.349 1.00 51.53 H new ATOM 0 HA ARG A 69 16.057 -0.207 -14.893 1.00 44.14 H new ATOM 0 HB2 ARG A 69 18.024 -1.488 -13.969 1.00 34.11 H new ATOM 0 HB3 ARG A 69 17.832 -2.672 -15.246 1.00 34.11 H new ATOM 0 HG2 ARG A 69 19.659 -1.114 -15.793 1.00 24.34 H new ATOM 0 HG3 ARG A 69 18.362 -0.958 -16.961 1.00 24.34 H new ATOM 0 HD2 ARG A 69 19.228 1.265 -16.299 1.00 23.32 H new ATOM 0 HD3 ARG A 69 17.544 1.091 -15.847 1.00 23.32 H new ATOM 0 HE ARG A 69 19.638 0.512 -13.798 1.00 64.00 H new ATOM 0 HH11 ARG A 69 17.033 2.609 -14.913 1.00 52.25 H new ATOM 0 HH12 ARG A 69 16.937 3.448 -13.362 1.00 52.25 H new ATOM 0 HH21 ARG A 69 19.453 1.571 -11.892 1.00 11.01 H new ATOM 0 HH22 ARG A 69 18.275 2.873 -11.693 1.00 11.01 H new ATOM 1221 N PHE A 70 14.881 -0.593 -17.069 1.00 12.35 N ATOM 1222 CA PHE A 70 14.460 -0.612 -18.487 1.00 25.12 C ATOM 1223 C PHE A 70 15.399 0.277 -19.341 1.00 3.51 C ATOM 1224 O PHE A 70 16.110 1.140 -18.811 1.00 42.32 O ATOM 1225 CB PHE A 70 12.970 -0.174 -18.632 1.00 31.32 C ATOM 1226 CG PHE A 70 12.640 1.261 -18.198 1.00 22.31 C ATOM 1227 CD1 PHE A 70 12.260 1.545 -16.886 1.00 13.21 C ATOM 1228 CD2 PHE A 70 12.699 2.326 -19.105 1.00 52.42 C ATOM 1229 CE1 PHE A 70 11.955 2.837 -16.494 1.00 72.44 C ATOM 1230 CE2 PHE A 70 12.395 3.617 -18.711 1.00 62.21 C ATOM 1231 CZ PHE A 70 12.022 3.870 -17.407 1.00 65.01 C ATOM 0 H PHE A 70 14.527 0.207 -16.544 1.00 12.35 H new ATOM 0 HA PHE A 70 14.536 -1.634 -18.858 1.00 25.12 H new ATOM 0 HB2 PHE A 70 12.678 -0.292 -19.676 1.00 31.32 H new ATOM 0 HB3 PHE A 70 12.353 -0.858 -18.049 1.00 31.32 H new ATOM 0 HD1 PHE A 70 12.203 0.744 -16.164 1.00 13.21 H new ATOM 0 HD2 PHE A 70 12.986 2.137 -20.129 1.00 52.42 H new ATOM 0 HE1 PHE A 70 11.664 3.037 -15.473 1.00 72.44 H new ATOM 0 HE2 PHE A 70 12.450 4.426 -19.424 1.00 62.21 H new ATOM 0 HZ PHE A 70 11.782 4.877 -17.100 1.00 65.01 H new ATOM 1241 N GLY A 71 15.387 0.057 -20.666 1.00 44.21 N ATOM 1242 CA GLY A 71 16.257 0.792 -21.596 1.00 55.22 C ATOM 1243 C GLY A 71 16.858 -0.115 -22.664 1.00 74.02 C ATOM 1244 O GLY A 71 16.380 -0.142 -23.807 1.00 1.03 O ATOM 0 H GLY A 71 14.781 -0.628 -21.118 1.00 44.21 H new ATOM 0 HA2 GLY A 71 15.684 1.585 -22.076 1.00 55.22 H new ATOM 0 HA3 GLY A 71 17.060 1.272 -21.037 1.00 55.22 H new ATOM 1248 N GLN A 72 17.912 -0.870 -22.286 1.00 44.21 N ATOM 1249 CA GLN A 72 18.517 -1.892 -23.169 1.00 11.21 C ATOM 1250 C GLN A 72 17.596 -3.136 -23.268 1.00 53.13 C ATOM 1251 O GLN A 72 16.933 -3.504 -22.286 1.00 3.24 O ATOM 1252 CB GLN A 72 19.948 -2.287 -22.688 1.00 13.43 C ATOM 1253 CG GLN A 72 20.024 -2.992 -21.318 1.00 40.34 C ATOM 1254 CD GLN A 72 21.455 -3.340 -20.889 1.00 51.52 C ATOM 1255 OE1 GLN A 72 22.411 -2.642 -21.216 1.00 70.15 O ATOM 1256 NE2 GLN A 72 21.615 -4.428 -20.160 1.00 53.02 N ATOM 0 H GLN A 72 18.362 -0.791 -21.374 1.00 44.21 H new ATOM 0 HA GLN A 72 18.618 -1.460 -24.165 1.00 11.21 H new ATOM 0 HB2 GLN A 72 20.395 -2.940 -23.437 1.00 13.43 H new ATOM 0 HB3 GLN A 72 20.559 -1.385 -22.646 1.00 13.43 H new ATOM 0 HG2 GLN A 72 19.572 -2.350 -20.562 1.00 40.34 H new ATOM 0 HG3 GLN A 72 19.432 -3.906 -21.355 1.00 40.34 H new ATOM 0 HE21 GLN A 72 20.805 -4.992 -19.901 1.00 53.02 H new ATOM 0 HE22 GLN A 72 22.548 -4.705 -19.856 1.00 53.02 H new ATOM 1265 N MET A 73 17.583 -3.760 -24.464 1.00 21.41 N ATOM 1266 CA MET A 73 16.641 -4.839 -24.848 1.00 70.04 C ATOM 1267 C MET A 73 15.160 -4.368 -24.795 1.00 2.42 C ATOM 1268 O MET A 73 14.551 -4.302 -23.721 1.00 25.13 O ATOM 1269 CB MET A 73 16.845 -6.135 -24.007 1.00 63.42 C ATOM 1270 CG MET A 73 15.913 -7.288 -24.406 1.00 51.24 C ATOM 1271 SD MET A 73 16.010 -7.660 -26.172 1.00 1.24 S ATOM 1272 CE MET A 73 14.641 -8.791 -26.386 1.00 2.13 C ATOM 0 H MET A 73 18.240 -3.525 -25.208 1.00 21.41 H new ATOM 0 HA MET A 73 16.873 -5.086 -25.884 1.00 70.04 H new ATOM 0 HB2 MET A 73 17.879 -6.464 -24.110 1.00 63.42 H new ATOM 0 HB3 MET A 73 16.688 -5.902 -22.954 1.00 63.42 H new ATOM 0 HG2 MET A 73 16.173 -8.178 -23.834 1.00 51.24 H new ATOM 0 HG3 MET A 73 14.886 -7.030 -24.146 1.00 51.24 H new ATOM 0 HE1 MET A 73 14.584 -9.100 -27.430 1.00 2.13 H new ATOM 0 HE2 MET A 73 14.791 -9.667 -25.755 1.00 2.13 H new ATOM 0 HE3 MET A 73 13.712 -8.295 -26.104 1.00 2.13 H new ATOM 1282 N GLN A 74 14.611 -4.013 -25.967 1.00 32.53 N ATOM 1283 CA GLN A 74 13.191 -3.643 -26.122 1.00 0.21 C ATOM 1284 C GLN A 74 12.439 -4.757 -26.890 1.00 2.33 C ATOM 1285 O GLN A 74 12.784 -5.065 -28.039 1.00 65.12 O ATOM 1286 CB GLN A 74 13.067 -2.277 -26.855 1.00 73.34 C ATOM 1287 CG GLN A 74 11.621 -1.750 -26.988 1.00 30.01 C ATOM 1288 CD GLN A 74 11.523 -0.342 -27.586 1.00 24.44 C ATOM 1289 OE1 GLN A 74 12.331 0.061 -28.422 1.00 63.25 O ATOM 1290 NE2 GLN A 74 10.545 0.429 -27.142 1.00 45.30 N ATOM 0 H GLN A 74 15.139 -3.974 -26.839 1.00 32.53 H new ATOM 0 HA GLN A 74 12.738 -3.538 -25.136 1.00 0.21 H new ATOM 0 HB2 GLN A 74 13.662 -1.537 -26.320 1.00 73.34 H new ATOM 0 HB3 GLN A 74 13.498 -2.373 -27.851 1.00 73.34 H new ATOM 0 HG2 GLN A 74 11.050 -2.439 -27.611 1.00 30.01 H new ATOM 0 HG3 GLN A 74 11.154 -1.749 -26.003 1.00 30.01 H new ATOM 0 HE21 GLN A 74 9.888 0.071 -26.449 1.00 45.30 H new ATOM 0 HE22 GLN A 74 10.447 1.382 -27.493 1.00 45.30 H new ATOM 1299 N GLN A 75 11.436 -5.363 -26.232 1.00 2.13 N ATOM 1300 CA GLN A 75 10.611 -6.449 -26.816 1.00 74.44 C ATOM 1301 C GLN A 75 9.642 -5.921 -27.933 1.00 63.20 C ATOM 1302 O GLN A 75 9.662 -6.469 -29.066 1.00 37.03 O ATOM 1303 CB GLN A 75 9.847 -7.212 -25.687 1.00 25.43 C ATOM 1304 CG GLN A 75 8.972 -6.342 -24.761 1.00 74.02 C ATOM 1305 CD GLN A 75 8.306 -7.134 -23.633 1.00 33.51 C ATOM 1306 OE1 GLN A 75 7.202 -7.644 -23.778 1.00 13.20 O ATOM 1307 NE2 GLN A 75 8.980 -7.250 -22.500 1.00 62.32 N ATOM 1308 OXT GLN A 75 8.910 -4.931 -27.687 1.00 37.03 O ATOM 0 H GLN A 75 11.169 -5.117 -25.279 1.00 2.13 H new ATOM 0 HA GLN A 75 11.280 -7.154 -27.309 1.00 74.44 H new ATOM 0 HB2 GLN A 75 9.213 -7.967 -26.150 1.00 25.43 H new ATOM 0 HB3 GLN A 75 10.577 -7.741 -25.074 1.00 25.43 H new ATOM 0 HG2 GLN A 75 9.587 -5.554 -24.327 1.00 74.02 H new ATOM 0 HG3 GLN A 75 8.201 -5.853 -25.356 1.00 74.02 H new ATOM 0 HE21 GLN A 75 9.898 -6.815 -22.406 1.00 62.32 H new ATOM 0 HE22 GLN A 75 8.582 -7.774 -21.721 1.00 62.32 H new TER 1317 GLN A 75