USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=20 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 HIS : no HE2:sc=-0.00426 K(o=-0.0043,f=-0.55) 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 K(o=0,f=-0.81) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 137:sc= 0.507 (180deg=0.0096) USER MOD Single : A 9 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00286) USER MOD Single : A 12 ASN : amide:sc= 0.576 K(o=0.58,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 91:sc= 0.28 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.67 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -169:sc= 0.616 USER MOD Single : A 20 GLN : amide:sc= 0.417 K(o=0.42,f=-3.9!) USER MOD Single : A 26 LYS NZ :NH3+ 144:sc= -1.63! (180deg=-3.41!) USER MOD Single : A 29 GLN : amide:sc= -0.0194 X(o=-0.019,f=-0.22) USER MOD Single : A 30 LYS NZ :NH3+ 141:sc= 0.797 (180deg=-0.115) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0641 USER MOD Single : A 32 HIS : no HD1:sc= -0.387 X(o=-0.39,f=-0.027) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.854 K(o=-0.85,f=0) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -79:sc= 0.674 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.0681 X(o=-0.068,f=-0.48) USER MOD Single : A 58 GLN : amide:sc= -2.99! K(o=-3!,f=0.3) USER MOD Single : A 59 ASN : amide:sc= 0.608 K(o=0.61,f=-3.8!) USER MOD Single : A 63 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0143) USER MOD Single : A 66 LYS NZ :NH3+ -160:sc= 0.681 (180deg=0.462) USER MOD Single : A 72 GLN : amide:sc=-0.00294 K(o=-0.0029,f=-6.9!) USER MOD Single : A 73 MET CE :methyl -107:sc= -0.275 (180deg=-1.57) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 GLN : amide:sc= -0.0173 X(o=-0.017,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 30.378 0.832 2.884 1.00 73.31 N ATOM 2 CA SER A 1 29.946 2.188 3.322 1.00 72.03 C ATOM 3 C SER A 1 28.443 2.401 3.029 1.00 24.33 C ATOM 4 O SER A 1 28.043 2.493 1.867 1.00 21.54 O ATOM 5 CB SER A 1 30.799 3.278 2.637 1.00 14.03 C ATOM 6 OG SER A 1 32.174 3.121 2.955 1.00 70.41 O ATOM 0 H1 SER A 1 31.390 0.707 3.089 1.00 73.31 H new ATOM 0 H2 SER A 1 29.830 0.111 3.395 1.00 73.31 H new ATOM 0 H3 SER A 1 30.216 0.730 1.862 1.00 73.31 H new ATOM 0 HA SER A 1 30.097 2.266 4.399 1.00 72.03 H new ATOM 0 HB2 SER A 1 30.663 3.226 1.557 1.00 14.03 H new ATOM 0 HB3 SER A 1 30.459 4.264 2.954 1.00 14.03 H new ATOM 0 HG SER A 1 32.695 3.821 2.509 1.00 70.41 H new ATOM 14 N HIS A 2 27.618 2.482 4.099 1.00 12.43 N ATOM 15 CA HIS A 2 26.128 2.546 3.995 1.00 12.34 C ATOM 16 C HIS A 2 25.589 3.989 3.726 1.00 61.32 C ATOM 17 O HIS A 2 24.651 4.460 4.385 1.00 43.43 O ATOM 18 CB HIS A 2 25.477 1.898 5.261 1.00 1.43 C ATOM 19 CG HIS A 2 25.884 2.490 6.589 1.00 3.25 C ATOM 20 ND1 HIS A 2 25.322 3.636 7.104 1.00 12.44 N ATOM 21 CD2 HIS A 2 26.783 2.078 7.519 1.00 43.13 C ATOM 22 CE1 HIS A 2 25.850 3.897 8.282 1.00 50.35 C ATOM 23 NE2 HIS A 2 26.739 2.971 8.559 1.00 21.32 N ATOM 0 H HIS A 2 27.959 2.505 5.060 1.00 12.43 H new ATOM 0 HA HIS A 2 25.836 1.968 3.118 1.00 12.34 H new ATOM 0 HB2 HIS A 2 24.394 1.974 5.168 1.00 1.43 H new ATOM 0 HB3 HIS A 2 25.722 0.836 5.268 1.00 1.43 H new ATOM 0 HD1 HIS A 2 24.606 4.198 6.644 1.00 12.44 H new ATOM 0 HD2 HIS A 2 27.417 1.206 7.452 1.00 43.13 H new ATOM 0 HE1 HIS A 2 25.594 4.734 8.915 1.00 50.35 H new ATOM 32 N MET A 3 26.181 4.666 2.722 1.00 75.55 N ATOM 33 CA MET A 3 25.699 5.977 2.208 1.00 72.14 C ATOM 34 C MET A 3 25.206 5.831 0.747 1.00 63.11 C ATOM 35 O MET A 3 24.124 6.322 0.395 1.00 60.24 O ATOM 36 CB MET A 3 26.822 7.054 2.261 1.00 11.04 C ATOM 37 CG MET A 3 27.314 7.431 3.667 1.00 34.14 C ATOM 38 SD MET A 3 28.200 6.096 4.504 1.00 62.01 S ATOM 39 CE MET A 3 28.748 6.941 5.991 1.00 70.23 C ATOM 0 H MET A 3 27.011 4.323 2.238 1.00 75.55 H new ATOM 0 HA MET A 3 24.876 6.298 2.847 1.00 72.14 H new ATOM 0 HB2 MET A 3 27.673 6.695 1.682 1.00 11.04 H new ATOM 0 HB3 MET A 3 26.459 7.956 1.768 1.00 11.04 H new ATOM 0 HG2 MET A 3 27.968 8.300 3.593 1.00 34.14 H new ATOM 0 HG3 MET A 3 26.459 7.726 4.275 1.00 34.14 H new ATOM 0 HE1 MET A 3 29.312 6.249 6.616 1.00 70.23 H new ATOM 0 HE2 MET A 3 29.383 7.783 5.718 1.00 70.23 H new ATOM 0 HE3 MET A 3 27.881 7.304 6.543 1.00 70.23 H new ATOM 49 N SER A 4 26.045 5.162 -0.095 1.00 20.54 N ATOM 50 CA SER A 4 25.814 4.998 -1.562 1.00 73.44 C ATOM 51 C SER A 4 25.710 6.371 -2.289 1.00 42.25 C ATOM 52 O SER A 4 25.028 6.498 -3.313 1.00 21.52 O ATOM 53 CB SER A 4 24.567 4.108 -1.833 1.00 44.45 C ATOM 54 OG SER A 4 24.739 2.806 -1.294 1.00 64.23 O ATOM 0 H SER A 4 26.906 4.719 0.226 1.00 20.54 H new ATOM 0 HA SER A 4 26.683 4.487 -1.977 1.00 73.44 H new ATOM 0 HB2 SER A 4 23.683 4.572 -1.395 1.00 44.45 H new ATOM 0 HB3 SER A 4 24.392 4.040 -2.907 1.00 44.45 H new ATOM 0 HG SER A 4 23.940 2.268 -1.477 1.00 64.23 H new ATOM 60 N ASN A 5 26.467 7.358 -1.759 1.00 4.40 N ATOM 61 CA ASN A 5 26.434 8.779 -2.169 1.00 4.41 C ATOM 62 C ASN A 5 24.994 9.365 -2.122 1.00 15.52 C ATOM 63 O ASN A 5 24.351 9.524 -3.166 1.00 2.44 O ATOM 64 CB ASN A 5 27.116 9.016 -3.558 1.00 10.51 C ATOM 65 CG ASN A 5 27.313 10.510 -3.881 1.00 25.44 C ATOM 66 OD1 ASN A 5 27.472 11.334 -2.987 1.00 24.05 O ATOM 67 ND2 ASN A 5 27.322 10.870 -5.150 1.00 43.32 N ATOM 0 H ASN A 5 27.138 7.182 -1.011 1.00 4.40 H new ATOM 0 HA ASN A 5 27.026 9.326 -1.435 1.00 4.41 H new ATOM 0 HB2 ASN A 5 28.084 8.515 -3.572 1.00 10.51 H new ATOM 0 HB3 ASN A 5 26.509 8.557 -4.338 1.00 10.51 H new ATOM 0 HD21 ASN A 5 27.463 11.848 -5.402 1.00 43.32 H new ATOM 0 HD22 ASN A 5 27.188 10.170 -5.880 1.00 43.32 H new ATOM 74 N LYS A 6 24.501 9.612 -0.883 1.00 44.34 N ATOM 75 CA LYS A 6 23.211 10.296 -0.593 1.00 73.33 C ATOM 76 C LYS A 6 21.973 9.633 -1.274 1.00 4.14 C ATOM 77 O LYS A 6 21.271 8.826 -0.654 1.00 2.12 O ATOM 78 CB LYS A 6 23.292 11.813 -0.948 1.00 75.42 C ATOM 79 CG LYS A 6 24.369 12.605 -0.165 1.00 64.22 C ATOM 80 CD LYS A 6 24.428 14.097 -0.578 1.00 72.24 C ATOM 81 CE LYS A 6 23.098 14.848 -0.342 1.00 4.15 C ATOM 82 NZ LYS A 6 23.178 16.270 -0.766 1.00 24.33 N ATOM 0 H LYS A 6 24.999 9.336 -0.037 1.00 44.34 H new ATOM 0 HA LYS A 6 23.054 10.186 0.480 1.00 73.33 H new ATOM 0 HB2 LYS A 6 23.492 11.912 -2.015 1.00 75.42 H new ATOM 0 HB3 LYS A 6 22.319 12.268 -0.762 1.00 75.42 H new ATOM 0 HG2 LYS A 6 24.162 12.535 0.903 1.00 64.22 H new ATOM 0 HG3 LYS A 6 25.344 12.147 -0.331 1.00 64.22 H new ATOM 0 HD2 LYS A 6 25.221 14.591 -0.017 1.00 72.24 H new ATOM 0 HD3 LYS A 6 24.694 14.165 -1.633 1.00 72.24 H new ATOM 0 HE2 LYS A 6 22.299 14.351 -0.891 1.00 4.15 H new ATOM 0 HE3 LYS A 6 22.837 14.799 0.715 1.00 4.15 H new ATOM 0 HZ1 LYS A 6 22.265 16.736 -0.590 1.00 24.33 H new ATOM 0 HZ2 LYS A 6 23.923 16.752 -0.224 1.00 24.33 H new ATOM 0 HZ3 LYS A 6 23.402 16.318 -1.781 1.00 24.33 H new ATOM 96 N GLY A 7 21.741 9.969 -2.561 1.00 2.33 N ATOM 97 CA GLY A 7 20.523 9.577 -3.285 1.00 53.24 C ATOM 98 C GLY A 7 19.388 10.580 -3.049 1.00 23.22 C ATOM 99 O GLY A 7 19.633 11.797 -3.026 1.00 25.42 O ATOM 0 H GLY A 7 22.393 10.518 -3.121 1.00 2.33 H new ATOM 0 HA2 GLY A 7 20.737 9.511 -4.352 1.00 53.24 H new ATOM 0 HA3 GLY A 7 20.208 8.585 -2.961 1.00 53.24 H new ATOM 103 N LYS A 8 18.149 10.062 -2.882 1.00 52.45 N ATOM 104 CA LYS A 8 16.935 10.861 -2.520 1.00 75.24 C ATOM 105 C LYS A 8 16.621 11.974 -3.561 1.00 72.31 C ATOM 106 O LYS A 8 15.964 12.977 -3.237 1.00 50.11 O ATOM 107 CB LYS A 8 17.034 11.450 -1.066 1.00 22.24 C ATOM 108 CG LYS A 8 16.956 10.413 0.093 1.00 12.24 C ATOM 109 CD LYS A 8 18.153 9.442 0.114 1.00 21.45 C ATOM 110 CE LYS A 8 18.084 8.388 1.221 1.00 61.22 C ATOM 111 NZ LYS A 8 19.222 7.439 1.113 1.00 43.11 N ATOM 0 H LYS A 8 17.953 9.067 -2.994 1.00 52.45 H new ATOM 0 HA LYS A 8 16.096 10.166 -2.538 1.00 75.24 H new ATOM 0 HB2 LYS A 8 17.974 11.994 -0.978 1.00 22.24 H new ATOM 0 HB3 LYS A 8 16.232 12.176 -0.933 1.00 22.24 H new ATOM 0 HG2 LYS A 8 16.908 10.943 1.044 1.00 12.24 H new ATOM 0 HG3 LYS A 8 16.033 9.841 -0.000 1.00 12.24 H new ATOM 0 HD2 LYS A 8 18.214 8.937 -0.850 1.00 21.45 H new ATOM 0 HD3 LYS A 8 19.071 10.017 0.232 1.00 21.45 H new ATOM 0 HE2 LYS A 8 18.101 8.875 2.196 1.00 61.22 H new ATOM 0 HE3 LYS A 8 17.142 7.844 1.154 1.00 61.22 H new ATOM 0 HZ1 LYS A 8 19.612 7.256 2.059 1.00 43.11 H new ATOM 0 HZ2 LYS A 8 18.891 6.546 0.696 1.00 43.11 H new ATOM 0 HZ3 LYS A 8 19.961 7.850 0.508 1.00 43.11 H new ATOM 125 N LYS A 9 17.079 11.765 -4.816 1.00 73.04 N ATOM 126 CA LYS A 9 16.792 12.668 -5.948 1.00 44.23 C ATOM 127 C LYS A 9 15.310 12.505 -6.352 1.00 25.31 C ATOM 128 O LYS A 9 14.975 11.720 -7.250 1.00 61.52 O ATOM 129 CB LYS A 9 17.735 12.363 -7.147 1.00 15.44 C ATOM 130 CG LYS A 9 19.247 12.389 -6.813 1.00 31.33 C ATOM 131 CD LYS A 9 20.129 12.100 -8.051 1.00 35.10 C ATOM 132 CE LYS A 9 21.632 12.006 -7.709 1.00 52.32 C ATOM 133 NZ LYS A 9 22.162 13.255 -7.106 1.00 63.44 N ATOM 0 H LYS A 9 17.658 10.965 -5.070 1.00 73.04 H new ATOM 0 HA LYS A 9 16.971 13.700 -5.648 1.00 44.23 H new ATOM 0 HB2 LYS A 9 17.483 11.381 -7.547 1.00 15.44 H new ATOM 0 HB3 LYS A 9 17.540 13.088 -7.937 1.00 15.44 H new ATOM 0 HG2 LYS A 9 19.509 13.364 -6.403 1.00 31.33 H new ATOM 0 HG3 LYS A 9 19.458 11.651 -6.039 1.00 31.33 H new ATOM 0 HD2 LYS A 9 19.807 11.165 -8.510 1.00 35.10 H new ATOM 0 HD3 LYS A 9 19.978 12.887 -8.790 1.00 35.10 H new ATOM 0 HE2 LYS A 9 21.792 11.178 -7.019 1.00 52.32 H new ATOM 0 HE3 LYS A 9 22.193 11.779 -8.615 1.00 52.32 H new ATOM 0 HZ1 LYS A 9 23.178 13.143 -6.912 1.00 63.44 H new ATOM 0 HZ2 LYS A 9 22.021 14.046 -7.766 1.00 63.44 H new ATOM 0 HZ3 LYS A 9 21.659 13.452 -6.217 1.00 63.44 H new ATOM 147 N ARG A 10 14.423 13.220 -5.638 1.00 62.22 N ATOM 148 CA ARG A 10 12.959 13.046 -5.755 1.00 54.31 C ATOM 149 C ARG A 10 12.351 13.890 -6.911 1.00 63.31 C ATOM 150 O ARG A 10 11.263 14.469 -6.777 1.00 25.42 O ATOM 151 CB ARG A 10 12.280 13.354 -4.378 1.00 24.33 C ATOM 152 CG ARG A 10 12.466 14.801 -3.847 1.00 2.03 C ATOM 153 CD ARG A 10 11.674 15.055 -2.544 1.00 43.25 C ATOM 154 NE ARG A 10 11.648 16.482 -2.162 1.00 21.22 N ATOM 155 CZ ARG A 10 11.024 16.975 -1.114 1.00 62.40 C ATOM 156 NH1 ARG A 10 10.398 16.211 -0.271 1.00 53.43 N ATOM 157 NH2 ARG A 10 11.028 18.245 -0.910 1.00 50.10 N ATOM 0 H ARG A 10 14.697 13.935 -4.964 1.00 62.22 H new ATOM 0 HA ARG A 10 12.759 12.007 -6.016 1.00 54.31 H new ATOM 0 HB2 ARG A 10 11.212 13.153 -4.467 1.00 24.33 H new ATOM 0 HB3 ARG A 10 12.674 12.660 -3.636 1.00 24.33 H new ATOM 0 HG2 ARG A 10 13.525 14.986 -3.668 1.00 2.03 H new ATOM 0 HG3 ARG A 10 12.143 15.510 -4.610 1.00 2.03 H new ATOM 0 HD2 ARG A 10 10.652 14.698 -2.669 1.00 43.25 H new ATOM 0 HD3 ARG A 10 12.117 14.474 -1.735 1.00 43.25 H new ATOM 0 HE ARG A 10 12.154 17.137 -2.758 1.00 21.22 H new ATOM 0 HH11 ARG A 10 10.382 15.201 -0.413 1.00 53.43 H new ATOM 0 HH12 ARG A 10 9.923 16.621 0.533 1.00 53.43 H new ATOM 0 HH21 ARG A 10 11.513 18.864 -1.559 1.00 50.10 H new ATOM 0 HH22 ARG A 10 10.546 18.633 -0.099 1.00 50.10 H new ATOM 171 N ARG A 11 13.038 13.911 -8.077 1.00 23.21 N ATOM 172 CA ARG A 11 12.496 14.518 -9.305 1.00 33.51 C ATOM 173 C ARG A 11 11.389 13.608 -9.897 1.00 20.32 C ATOM 174 O ARG A 11 11.652 12.670 -10.659 1.00 35.24 O ATOM 175 CB ARG A 11 13.624 14.825 -10.336 1.00 72.43 C ATOM 176 CG ARG A 11 13.112 15.396 -11.690 1.00 23.12 C ATOM 177 CD ARG A 11 14.224 16.023 -12.549 1.00 51.52 C ATOM 178 NE ARG A 11 14.715 17.294 -11.970 1.00 13.05 N ATOM 179 CZ ARG A 11 15.971 17.604 -11.732 1.00 74.10 C ATOM 180 NH1 ARG A 11 16.922 16.746 -11.917 1.00 42.41 N ATOM 181 NH2 ARG A 11 16.265 18.775 -11.282 1.00 23.11 N ATOM 0 H ARG A 11 13.970 13.512 -8.188 1.00 23.21 H new ATOM 0 HA ARG A 11 12.044 15.478 -9.054 1.00 33.51 H new ATOM 0 HB2 ARG A 11 14.321 15.537 -9.894 1.00 72.43 H new ATOM 0 HB3 ARG A 11 14.184 13.910 -10.529 1.00 72.43 H new ATOM 0 HG2 ARG A 11 12.634 14.596 -12.255 1.00 23.12 H new ATOM 0 HG3 ARG A 11 12.348 16.148 -11.493 1.00 23.12 H new ATOM 0 HD2 ARG A 11 15.053 15.321 -12.640 1.00 51.52 H new ATOM 0 HD3 ARG A 11 13.847 16.204 -13.556 1.00 51.52 H new ATOM 0 HE ARG A 11 14.013 17.995 -11.733 1.00 13.05 H new ATOM 0 HH11 ARG A 11 16.704 15.808 -12.254 1.00 42.41 H new ATOM 0 HH12 ARG A 11 17.889 17.008 -11.726 1.00 42.41 H new ATOM 0 HH21 ARG A 11 15.525 19.457 -11.112 1.00 23.11 H new ATOM 0 HH22 ARG A 11 17.237 19.020 -11.096 1.00 23.11 H new ATOM 195 N ASN A 12 10.159 13.866 -9.442 1.00 25.43 N ATOM 196 CA ASN A 12 8.931 13.188 -9.897 1.00 64.34 C ATOM 197 C ASN A 12 7.724 14.123 -9.681 1.00 3.01 C ATOM 198 O ASN A 12 7.842 15.157 -9.012 1.00 51.44 O ATOM 199 CB ASN A 12 8.729 11.839 -9.144 1.00 2.31 C ATOM 200 CG ASN A 12 8.710 11.978 -7.613 1.00 12.24 C ATOM 201 OD1 ASN A 12 9.735 11.865 -6.948 1.00 73.14 O ATOM 202 ND2 ASN A 12 7.544 12.214 -7.042 1.00 63.31 N ATOM 0 H ASN A 12 9.980 14.571 -8.727 1.00 25.43 H new ATOM 0 HA ASN A 12 9.022 12.960 -10.959 1.00 64.34 H new ATOM 0 HB2 ASN A 12 7.791 11.389 -9.470 1.00 2.31 H new ATOM 0 HB3 ASN A 12 9.527 11.153 -9.427 1.00 2.31 H new ATOM 0 HD21 ASN A 12 7.482 12.306 -6.028 1.00 63.31 H new ATOM 0 HD22 ASN A 12 6.705 12.304 -7.615 1.00 63.31 H new ATOM 209 N ARG A 13 6.570 13.771 -10.258 1.00 24.41 N ATOM 210 CA ARG A 13 5.311 14.501 -10.004 1.00 33.55 C ATOM 211 C ARG A 13 4.672 13.979 -8.693 1.00 32.31 C ATOM 212 O ARG A 13 4.922 12.832 -8.300 1.00 1.42 O ATOM 213 CB ARG A 13 4.333 14.349 -11.212 1.00 35.44 C ATOM 214 CG ARG A 13 3.174 15.376 -11.215 1.00 64.12 C ATOM 215 CD ARG A 13 3.695 16.829 -11.279 1.00 23.24 C ATOM 216 NE ARG A 13 2.636 17.833 -11.096 1.00 51.03 N ATOM 217 CZ ARG A 13 2.824 19.138 -11.082 1.00 51.23 C ATOM 218 NH1 ARG A 13 4.007 19.653 -11.242 1.00 12.14 N ATOM 219 NH2 ARG A 13 1.815 19.922 -10.902 1.00 44.11 N ATOM 0 H ARG A 13 6.476 12.987 -10.904 1.00 24.41 H new ATOM 0 HA ARG A 13 5.525 15.564 -9.891 1.00 33.55 H new ATOM 0 HB2 ARG A 13 4.898 14.451 -12.139 1.00 35.44 H new ATOM 0 HB3 ARG A 13 3.914 13.343 -11.203 1.00 35.44 H new ATOM 0 HG2 ARG A 13 2.522 15.186 -12.068 1.00 64.12 H new ATOM 0 HG3 ARG A 13 2.570 15.246 -10.317 1.00 64.12 H new ATOM 0 HD2 ARG A 13 4.456 16.969 -10.512 1.00 23.24 H new ATOM 0 HD3 ARG A 13 4.179 16.992 -12.242 1.00 23.24 H new ATOM 0 HE ARG A 13 1.682 17.494 -10.970 1.00 51.03 H new ATOM 0 HH11 ARG A 13 4.813 19.044 -11.382 1.00 12.14 H new ATOM 0 HH12 ARG A 13 4.129 20.666 -11.228 1.00 12.14 H new ATOM 0 HH21 ARG A 13 0.882 19.531 -10.772 1.00 44.11 H new ATOM 0 HH22 ARG A 13 1.950 20.933 -10.890 1.00 44.11 H new ATOM 233 N THR A 14 3.872 14.828 -8.013 1.00 43.13 N ATOM 234 CA THR A 14 3.210 14.452 -6.738 1.00 64.34 C ATOM 235 C THR A 14 2.215 13.285 -6.968 1.00 3.14 C ATOM 236 O THR A 14 1.093 13.491 -7.439 1.00 50.45 O ATOM 237 CB THR A 14 2.469 15.674 -6.077 1.00 42.04 C ATOM 238 OG1 THR A 14 3.382 16.776 -5.924 1.00 42.33 O ATOM 239 CG2 THR A 14 1.875 15.315 -4.693 1.00 73.53 C ATOM 0 H THR A 14 3.667 15.778 -8.322 1.00 43.13 H new ATOM 0 HA THR A 14 3.991 14.128 -6.050 1.00 64.34 H new ATOM 0 HB THR A 14 1.647 15.950 -6.738 1.00 42.04 H new ATOM 0 HG1 THR A 14 2.915 17.534 -5.514 1.00 42.33 H new ATOM 0 HG21 THR A 14 1.374 16.188 -4.275 1.00 73.53 H new ATOM 0 HG22 THR A 14 1.157 14.503 -4.805 1.00 73.53 H new ATOM 0 HG23 THR A 14 2.676 15.001 -4.024 1.00 73.53 H new ATOM 247 N THR A 15 2.692 12.054 -6.710 1.00 73.22 N ATOM 248 CA THR A 15 1.900 10.810 -6.857 1.00 64.11 C ATOM 249 C THR A 15 1.266 10.399 -5.514 1.00 73.23 C ATOM 250 O THR A 15 0.128 9.929 -5.477 1.00 54.24 O ATOM 251 CB THR A 15 2.790 9.632 -7.387 1.00 53.32 C ATOM 252 OG1 THR A 15 3.895 9.404 -6.488 1.00 70.54 O ATOM 253 CG2 THR A 15 3.334 9.915 -8.802 1.00 40.44 C ATOM 0 H THR A 15 3.646 11.889 -6.390 1.00 73.22 H new ATOM 0 HA THR A 15 1.111 11.014 -7.581 1.00 64.11 H new ATOM 0 HB THR A 15 2.160 8.744 -7.437 1.00 53.32 H new ATOM 0 HG1 THR A 15 3.635 8.745 -5.811 1.00 70.54 H new ATOM 0 HG21 THR A 15 3.945 9.075 -9.132 1.00 40.44 H new ATOM 0 HG22 THR A 15 2.501 10.050 -9.492 1.00 40.44 H new ATOM 0 HG23 THR A 15 3.941 10.820 -8.784 1.00 40.44 H new ATOM 261 N PHE A 16 2.039 10.553 -4.415 1.00 40.35 N ATOM 262 CA PHE A 16 1.586 10.261 -3.029 1.00 20.51 C ATOM 263 C PHE A 16 2.126 11.338 -2.046 1.00 75.04 C ATOM 264 O PHE A 16 3.122 12.007 -2.339 1.00 1.44 O ATOM 265 CB PHE A 16 2.068 8.851 -2.562 1.00 14.52 C ATOM 266 CG PHE A 16 1.657 7.691 -3.472 1.00 44.03 C ATOM 267 CD1 PHE A 16 0.343 7.221 -3.484 1.00 73.30 C ATOM 268 CD2 PHE A 16 2.580 7.073 -4.322 1.00 51.04 C ATOM 269 CE1 PHE A 16 -0.033 6.179 -4.315 1.00 23.21 C ATOM 270 CE2 PHE A 16 2.201 6.030 -5.151 1.00 53.22 C ATOM 271 CZ PHE A 16 0.897 5.583 -5.144 1.00 54.14 C ATOM 0 H PHE A 16 3.002 10.886 -4.462 1.00 40.35 H new ATOM 0 HA PHE A 16 0.496 10.277 -3.028 1.00 20.51 H new ATOM 0 HB2 PHE A 16 3.155 8.863 -2.483 1.00 14.52 H new ATOM 0 HB3 PHE A 16 1.678 8.664 -1.562 1.00 14.52 H new ATOM 0 HD1 PHE A 16 -0.391 7.676 -2.836 1.00 73.30 H new ATOM 0 HD2 PHE A 16 3.605 7.414 -4.332 1.00 51.04 H new ATOM 0 HE1 PHE A 16 -1.056 5.832 -4.315 1.00 23.21 H new ATOM 0 HE2 PHE A 16 2.927 5.567 -5.803 1.00 53.22 H new ATOM 0 HZ PHE A 16 0.603 4.767 -5.787 1.00 54.14 H new ATOM 281 N THR A 17 1.457 11.494 -0.880 1.00 21.11 N ATOM 282 CA THR A 17 1.936 12.374 0.223 1.00 41.43 C ATOM 283 C THR A 17 2.806 11.568 1.212 1.00 31.01 C ATOM 284 O THR A 17 2.813 10.337 1.168 1.00 32.11 O ATOM 285 CB THR A 17 0.756 13.034 1.030 1.00 23.12 C ATOM 286 OG1 THR A 17 0.059 12.041 1.810 1.00 40.11 O ATOM 287 CG2 THR A 17 -0.238 13.756 0.102 1.00 73.22 C ATOM 0 H THR A 17 0.578 11.020 -0.674 1.00 21.11 H new ATOM 0 HA THR A 17 2.516 13.167 -0.249 1.00 41.43 H new ATOM 0 HB THR A 17 1.196 13.775 1.697 1.00 23.12 H new ATOM 0 HG1 THR A 17 -0.670 12.468 2.307 1.00 40.11 H new ATOM 0 HG21 THR A 17 -1.037 14.198 0.698 1.00 73.22 H new ATOM 0 HG22 THR A 17 0.282 14.541 -0.447 1.00 73.22 H new ATOM 0 HG23 THR A 17 -0.663 13.041 -0.602 1.00 73.22 H new ATOM 295 N SER A 18 3.510 12.276 2.120 1.00 53.42 N ATOM 296 CA SER A 18 4.342 11.647 3.184 1.00 54.53 C ATOM 297 C SER A 18 3.488 10.748 4.110 1.00 52.30 C ATOM 298 O SER A 18 3.913 9.659 4.492 1.00 35.13 O ATOM 299 CB SER A 18 5.042 12.738 4.023 1.00 64.22 C ATOM 300 OG SER A 18 5.845 13.585 3.212 1.00 14.45 O ATOM 0 H SER A 18 3.522 13.296 2.142 1.00 53.42 H new ATOM 0 HA SER A 18 5.091 11.023 2.697 1.00 54.53 H new ATOM 0 HB2 SER A 18 4.293 13.335 4.543 1.00 64.22 H new ATOM 0 HB3 SER A 18 5.662 12.269 4.787 1.00 64.22 H new ATOM 0 HG SER A 18 6.273 14.265 3.773 1.00 14.45 H new ATOM 306 N TYR A 19 2.273 11.236 4.448 1.00 13.22 N ATOM 307 CA TYR A 19 1.258 10.483 5.224 1.00 2.34 C ATOM 308 C TYR A 19 0.896 9.142 4.533 1.00 55.44 C ATOM 309 O TYR A 19 0.949 8.075 5.160 1.00 73.43 O ATOM 310 CB TYR A 19 -0.013 11.365 5.399 1.00 32.11 C ATOM 311 CG TYR A 19 -1.235 10.637 5.991 1.00 34.23 C ATOM 312 CD1 TYR A 19 -1.324 10.357 7.360 1.00 53.24 C ATOM 313 CD2 TYR A 19 -2.297 10.222 5.175 1.00 21.25 C ATOM 314 CE1 TYR A 19 -2.422 9.699 7.886 1.00 62.53 C ATOM 315 CE2 TYR A 19 -3.391 9.568 5.700 1.00 60.33 C ATOM 316 CZ TYR A 19 -3.451 9.308 7.053 1.00 53.15 C ATOM 317 OH TYR A 19 -4.553 8.668 7.578 1.00 53.02 O ATOM 0 H TYR A 19 1.965 12.173 4.188 1.00 13.22 H new ATOM 0 HA TYR A 19 1.675 10.243 6.202 1.00 2.34 H new ATOM 0 HB2 TYR A 19 0.235 12.209 6.042 1.00 32.11 H new ATOM 0 HB3 TYR A 19 -0.289 11.775 4.427 1.00 32.11 H new ATOM 0 HD1 TYR A 19 -0.522 10.660 8.017 1.00 53.24 H new ATOM 0 HD2 TYR A 19 -2.257 10.419 4.114 1.00 21.25 H new ATOM 0 HE1 TYR A 19 -2.474 9.492 8.945 1.00 62.53 H new ATOM 0 HE2 TYR A 19 -4.199 9.260 5.053 1.00 60.33 H new ATOM 0 HH TYR A 19 -5.100 8.307 6.849 1.00 53.02 H new ATOM 327 N GLN A 20 0.528 9.230 3.233 1.00 53.42 N ATOM 328 CA GLN A 20 0.150 8.051 2.415 1.00 73.40 C ATOM 329 C GLN A 20 1.305 7.030 2.342 1.00 2.33 C ATOM 330 O GLN A 20 1.090 5.848 2.562 1.00 61.53 O ATOM 331 CB GLN A 20 -0.288 8.485 0.988 1.00 13.11 C ATOM 332 CG GLN A 20 -1.531 9.399 0.963 1.00 24.22 C ATOM 333 CD GLN A 20 -1.932 9.861 -0.442 1.00 23.54 C ATOM 334 OE1 GLN A 20 -1.107 9.977 -1.334 1.00 24.14 O ATOM 335 NE2 GLN A 20 -3.199 10.167 -0.642 1.00 42.32 N ATOM 0 H GLN A 20 0.485 10.113 2.724 1.00 53.42 H new ATOM 0 HA GLN A 20 -0.697 7.567 2.901 1.00 73.40 H new ATOM 0 HB2 GLN A 20 0.541 9.004 0.507 1.00 13.11 H new ATOM 0 HB3 GLN A 20 -0.493 7.594 0.395 1.00 13.11 H new ATOM 0 HG2 GLN A 20 -2.370 8.868 1.414 1.00 24.22 H new ATOM 0 HG3 GLN A 20 -1.338 10.275 1.582 1.00 24.22 H new ATOM 0 HE21 GLN A 20 -3.874 10.064 0.115 1.00 42.32 H new ATOM 0 HE22 GLN A 20 -3.504 10.507 -1.554 1.00 42.32 H new ATOM 344 N LEU A 21 2.535 7.527 2.092 1.00 14.31 N ATOM 345 CA LEU A 21 3.757 6.690 2.001 1.00 30.12 C ATOM 346 C LEU A 21 4.033 5.909 3.308 1.00 20.41 C ATOM 347 O LEU A 21 4.337 4.723 3.258 1.00 2.42 O ATOM 348 CB LEU A 21 4.997 7.556 1.635 1.00 40.22 C ATOM 349 CG LEU A 21 5.000 8.185 0.206 1.00 20.44 C ATOM 350 CD1 LEU A 21 6.263 9.046 -0.024 1.00 1.11 C ATOM 351 CD2 LEU A 21 4.852 7.100 -0.885 1.00 3.13 C ATOM 0 H LEU A 21 2.712 8.521 1.947 1.00 14.31 H new ATOM 0 HA LEU A 21 3.578 5.963 1.209 1.00 30.12 H new ATOM 0 HB2 LEU A 21 5.080 8.362 2.364 1.00 40.22 H new ATOM 0 HB3 LEU A 21 5.889 6.939 1.740 1.00 40.22 H new ATOM 0 HG LEU A 21 4.135 8.844 0.133 1.00 20.44 H new ATOM 0 HD11 LEU A 21 6.236 9.470 -1.028 1.00 1.11 H new ATOM 0 HD12 LEU A 21 6.293 9.851 0.710 1.00 1.11 H new ATOM 0 HD13 LEU A 21 7.152 8.424 0.083 1.00 1.11 H new ATOM 0 HD21 LEU A 21 4.858 7.570 -1.869 1.00 3.13 H new ATOM 0 HD22 LEU A 21 5.682 6.397 -0.814 1.00 3.13 H new ATOM 0 HD23 LEU A 21 3.912 6.567 -0.743 1.00 3.13 H new ATOM 363 N GLU A 22 3.917 6.593 4.469 1.00 53.12 N ATOM 364 CA GLU A 22 4.145 5.978 5.803 1.00 14.43 C ATOM 365 C GLU A 22 3.097 4.890 6.135 1.00 4.41 C ATOM 366 O GLU A 22 3.412 3.917 6.815 1.00 1.33 O ATOM 367 CB GLU A 22 4.155 7.061 6.914 1.00 3.52 C ATOM 368 CG GLU A 22 5.377 7.997 6.872 1.00 23.31 C ATOM 369 CD GLU A 22 5.379 9.032 8.008 1.00 3.52 C ATOM 370 OE1 GLU A 22 5.751 8.676 9.152 1.00 71.13 O ATOM 371 OE2 GLU A 22 5.010 10.201 7.773 1.00 34.11 O ATOM 0 H GLU A 22 3.665 7.580 4.511 1.00 53.12 H new ATOM 0 HA GLU A 22 5.121 5.495 5.764 1.00 14.43 H new ATOM 0 HB2 GLU A 22 3.249 7.661 6.829 1.00 3.52 H new ATOM 0 HB3 GLU A 22 4.122 6.569 7.886 1.00 3.52 H new ATOM 0 HG2 GLU A 22 6.287 7.400 6.930 1.00 23.31 H new ATOM 0 HG3 GLU A 22 5.397 8.517 5.914 1.00 23.31 H new ATOM 378 N GLU A 23 1.855 5.072 5.662 1.00 12.12 N ATOM 379 CA GLU A 23 0.774 4.075 5.845 1.00 34.41 C ATOM 380 C GLU A 23 0.982 2.831 4.946 1.00 12.42 C ATOM 381 O GLU A 23 0.913 1.690 5.423 1.00 52.21 O ATOM 382 CB GLU A 23 -0.601 4.734 5.571 1.00 53.41 C ATOM 383 CG GLU A 23 -1.012 5.807 6.601 1.00 24.30 C ATOM 384 CD GLU A 23 -1.239 5.222 8.008 1.00 21.42 C ATOM 385 OE1 GLU A 23 -0.279 5.147 8.816 1.00 12.51 O ATOM 386 OE2 GLU A 23 -2.383 4.824 8.312 1.00 45.20 O ATOM 0 H GLU A 23 1.567 5.903 5.146 1.00 12.12 H new ATOM 0 HA GLU A 23 0.802 3.729 6.878 1.00 34.41 H new ATOM 0 HB2 GLU A 23 -0.581 5.188 4.580 1.00 53.41 H new ATOM 0 HB3 GLU A 23 -1.365 3.957 5.550 1.00 53.41 H new ATOM 0 HG2 GLU A 23 -0.238 6.573 6.651 1.00 24.30 H new ATOM 0 HG3 GLU A 23 -1.925 6.298 6.264 1.00 24.30 H new ATOM 393 N LEU A 24 1.231 3.079 3.642 1.00 43.31 N ATOM 394 CA LEU A 24 1.554 2.027 2.641 1.00 41.14 C ATOM 395 C LEU A 24 2.775 1.180 3.095 1.00 22.21 C ATOM 396 O LEU A 24 2.782 -0.046 2.967 1.00 42.41 O ATOM 397 CB LEU A 24 1.837 2.691 1.257 1.00 13.22 C ATOM 398 CG LEU A 24 0.646 3.474 0.592 1.00 23.42 C ATOM 399 CD1 LEU A 24 1.129 4.395 -0.554 1.00 70.02 C ATOM 400 CD2 LEU A 24 -0.453 2.515 0.097 1.00 11.02 C ATOM 0 H LEU A 24 1.215 4.019 3.247 1.00 43.31 H new ATOM 0 HA LEU A 24 0.699 1.357 2.552 1.00 41.14 H new ATOM 0 HB2 LEU A 24 2.673 3.380 1.375 1.00 13.22 H new ATOM 0 HB3 LEU A 24 2.160 1.913 0.566 1.00 13.22 H new ATOM 0 HG LEU A 24 0.215 4.110 1.366 1.00 23.42 H new ATOM 0 HD11 LEU A 24 0.275 4.917 -0.986 1.00 70.02 H new ATOM 0 HD12 LEU A 24 1.839 5.123 -0.161 1.00 70.02 H new ATOM 0 HD13 LEU A 24 1.614 3.794 -1.324 1.00 70.02 H new ATOM 0 HD21 LEU A 24 -1.260 3.090 -0.357 1.00 11.02 H new ATOM 0 HD22 LEU A 24 -0.034 1.832 -0.642 1.00 11.02 H new ATOM 0 HD23 LEU A 24 -0.844 1.944 0.939 1.00 11.02 H new ATOM 412 N GLU A 25 3.789 1.870 3.652 1.00 31.44 N ATOM 413 CA GLU A 25 5.031 1.271 4.147 1.00 53.41 C ATOM 414 C GLU A 25 4.835 0.529 5.491 1.00 53.20 C ATOM 415 O GLU A 25 5.494 -0.474 5.746 1.00 41.45 O ATOM 416 CB GLU A 25 6.076 2.396 4.287 1.00 43.30 C ATOM 417 CG GLU A 25 7.479 1.918 4.641 1.00 4.43 C ATOM 418 CD GLU A 25 8.498 3.065 4.673 1.00 54.10 C ATOM 419 OE1 GLU A 25 9.080 3.386 3.617 1.00 50.44 O ATOM 420 OE2 GLU A 25 8.694 3.676 5.747 1.00 1.21 O ATOM 0 H GLU A 25 3.761 2.883 3.770 1.00 31.44 H new ATOM 0 HA GLU A 25 5.370 0.517 3.436 1.00 53.41 H new ATOM 0 HB2 GLU A 25 6.121 2.951 3.350 1.00 43.30 H new ATOM 0 HB3 GLU A 25 5.739 3.093 5.054 1.00 43.30 H new ATOM 0 HG2 GLU A 25 7.458 1.427 5.614 1.00 4.43 H new ATOM 0 HG3 GLU A 25 7.799 1.171 3.914 1.00 4.43 H new ATOM 427 N LYS A 26 3.922 1.038 6.341 1.00 21.21 N ATOM 428 CA LYS A 26 3.580 0.414 7.648 1.00 52.14 C ATOM 429 C LYS A 26 2.964 -0.991 7.442 1.00 70.24 C ATOM 430 O LYS A 26 3.170 -1.909 8.250 1.00 0.23 O ATOM 431 CB LYS A 26 2.592 1.333 8.410 1.00 44.44 C ATOM 432 CG LYS A 26 2.302 0.950 9.879 1.00 24.12 C ATOM 433 CD LYS A 26 1.412 1.994 10.618 1.00 13.23 C ATOM 434 CE LYS A 26 2.127 3.341 10.915 1.00 34.24 C ATOM 435 NZ LYS A 26 2.424 4.146 9.694 1.00 3.02 N ATOM 0 H LYS A 26 3.398 1.891 6.148 1.00 21.21 H new ATOM 0 HA LYS A 26 4.491 0.296 8.235 1.00 52.14 H new ATOM 0 HB2 LYS A 26 2.985 2.349 8.392 1.00 44.44 H new ATOM 0 HB3 LYS A 26 1.647 1.347 7.866 1.00 44.44 H new ATOM 0 HG2 LYS A 26 1.809 -0.022 9.904 1.00 24.12 H new ATOM 0 HG3 LYS A 26 3.246 0.843 10.413 1.00 24.12 H new ATOM 0 HD2 LYS A 26 0.525 2.191 10.015 1.00 13.23 H new ATOM 0 HD3 LYS A 26 1.069 1.562 11.558 1.00 13.23 H new ATOM 0 HE2 LYS A 26 1.504 3.932 11.586 1.00 34.24 H new ATOM 0 HE3 LYS A 26 3.060 3.138 11.441 1.00 34.24 H new ATOM 0 HZ1 LYS A 26 2.311 5.157 9.909 1.00 3.02 H new ATOM 0 HZ2 LYS A 26 3.401 3.964 9.388 1.00 3.02 H new ATOM 0 HZ3 LYS A 26 1.767 3.878 8.933 1.00 3.02 H new ATOM 449 N VAL A 27 2.192 -1.126 6.349 1.00 21.11 N ATOM 450 CA VAL A 27 1.634 -2.413 5.893 1.00 73.43 C ATOM 451 C VAL A 27 2.706 -3.245 5.139 1.00 23.42 C ATOM 452 O VAL A 27 2.734 -4.462 5.270 1.00 5.14 O ATOM 453 CB VAL A 27 0.364 -2.177 4.990 1.00 65.44 C ATOM 454 CG1 VAL A 27 -0.233 -3.509 4.452 1.00 73.42 C ATOM 455 CG2 VAL A 27 -0.706 -1.362 5.771 1.00 11.22 C ATOM 0 H VAL A 27 1.936 -0.339 5.752 1.00 21.11 H new ATOM 0 HA VAL A 27 1.326 -2.982 6.770 1.00 73.43 H new ATOM 0 HB VAL A 27 0.681 -1.602 4.120 1.00 65.44 H new ATOM 0 HG11 VAL A 27 -1.106 -3.294 3.836 1.00 73.42 H new ATOM 0 HG12 VAL A 27 0.516 -4.027 3.853 1.00 73.42 H new ATOM 0 HG13 VAL A 27 -0.528 -4.140 5.290 1.00 73.42 H new ATOM 0 HG21 VAL A 27 -1.579 -1.205 5.137 1.00 11.22 H new ATOM 0 HG22 VAL A 27 -1.001 -1.912 6.665 1.00 11.22 H new ATOM 0 HG23 VAL A 27 -0.289 -0.397 6.060 1.00 11.22 H new ATOM 465 N PHE A 28 3.601 -2.567 4.388 1.00 71.11 N ATOM 466 CA PHE A 28 4.710 -3.213 3.620 1.00 22.10 C ATOM 467 C PHE A 28 5.700 -3.973 4.544 1.00 33.31 C ATOM 468 O PHE A 28 6.180 -5.059 4.192 1.00 14.24 O ATOM 469 CB PHE A 28 5.461 -2.140 2.785 1.00 41.24 C ATOM 470 CG PHE A 28 6.572 -2.666 1.862 1.00 52.42 C ATOM 471 CD1 PHE A 28 6.261 -3.371 0.695 1.00 33.22 C ATOM 472 CD2 PHE A 28 7.924 -2.441 2.146 1.00 54.24 C ATOM 473 CE1 PHE A 28 7.256 -3.832 -0.151 1.00 21.02 C ATOM 474 CE2 PHE A 28 8.921 -2.905 1.299 1.00 23.41 C ATOM 475 CZ PHE A 28 8.584 -3.599 0.150 1.00 54.21 C ATOM 0 H PHE A 28 3.582 -1.552 4.291 1.00 71.11 H new ATOM 0 HA PHE A 28 4.267 -3.953 2.953 1.00 22.10 H new ATOM 0 HB2 PHE A 28 4.732 -1.605 2.176 1.00 41.24 H new ATOM 0 HB3 PHE A 28 5.898 -1.414 3.471 1.00 41.24 H new ATOM 0 HD1 PHE A 28 5.226 -3.559 0.449 1.00 33.22 H new ATOM 0 HD2 PHE A 28 8.196 -1.897 3.039 1.00 54.24 H new ATOM 0 HE1 PHE A 28 6.993 -4.374 -1.047 1.00 21.02 H new ATOM 0 HE2 PHE A 28 9.959 -2.725 1.536 1.00 23.41 H new ATOM 0 HZ PHE A 28 9.359 -3.958 -0.511 1.00 54.21 H new ATOM 485 N GLN A 29 5.991 -3.391 5.727 1.00 21.41 N ATOM 486 CA GLN A 29 6.895 -4.003 6.735 1.00 15.00 C ATOM 487 C GLN A 29 6.286 -5.289 7.357 1.00 61.31 C ATOM 488 O GLN A 29 7.016 -6.172 7.823 1.00 25.05 O ATOM 489 CB GLN A 29 7.250 -2.972 7.849 1.00 74.12 C ATOM 490 CG GLN A 29 7.968 -1.690 7.350 1.00 5.31 C ATOM 491 CD GLN A 29 9.285 -1.953 6.603 1.00 23.34 C ATOM 492 OE1 GLN A 29 9.994 -2.919 6.873 1.00 21.31 O ATOM 493 NE2 GLN A 29 9.630 -1.094 5.657 1.00 21.04 N ATOM 0 H GLN A 29 5.610 -2.489 6.013 1.00 21.41 H new ATOM 0 HA GLN A 29 7.810 -4.293 6.218 1.00 15.00 H new ATOM 0 HB2 GLN A 29 6.332 -2.681 8.360 1.00 74.12 H new ATOM 0 HB3 GLN A 29 7.884 -3.462 8.588 1.00 74.12 H new ATOM 0 HG2 GLN A 29 7.293 -1.143 6.692 1.00 5.31 H new ATOM 0 HG3 GLN A 29 8.171 -1.045 8.205 1.00 5.31 H new ATOM 0 HE21 GLN A 29 9.028 -0.298 5.447 1.00 21.04 H new ATOM 0 HE22 GLN A 29 10.498 -1.228 5.138 1.00 21.04 H new ATOM 502 N LYS A 30 4.946 -5.377 7.356 1.00 35.22 N ATOM 503 CA LYS A 30 4.203 -6.570 7.815 1.00 54.11 C ATOM 504 C LYS A 30 4.102 -7.613 6.668 1.00 71.24 C ATOM 505 O LYS A 30 4.623 -8.729 6.773 1.00 73.24 O ATOM 506 CB LYS A 30 2.792 -6.136 8.302 1.00 10.43 C ATOM 507 CG LYS A 30 2.804 -5.170 9.511 1.00 44.13 C ATOM 508 CD LYS A 30 1.393 -4.616 9.841 1.00 5.42 C ATOM 509 CE LYS A 30 1.384 -3.723 11.093 1.00 22.11 C ATOM 510 NZ LYS A 30 2.347 -2.593 10.987 1.00 1.20 N ATOM 0 H LYS A 30 4.341 -4.621 7.036 1.00 35.22 H new ATOM 0 HA LYS A 30 4.733 -7.038 8.645 1.00 54.11 H new ATOM 0 HB2 LYS A 30 2.266 -5.658 7.475 1.00 10.43 H new ATOM 0 HB3 LYS A 30 2.223 -7.026 8.569 1.00 10.43 H new ATOM 0 HG2 LYS A 30 3.200 -5.690 10.383 1.00 44.13 H new ATOM 0 HG3 LYS A 30 3.478 -4.339 9.302 1.00 44.13 H new ATOM 0 HD2 LYS A 30 1.023 -4.045 8.990 1.00 5.42 H new ATOM 0 HD3 LYS A 30 0.706 -5.449 9.989 1.00 5.42 H new ATOM 0 HE2 LYS A 30 0.380 -3.328 11.248 1.00 22.11 H new ATOM 0 HE3 LYS A 30 1.629 -4.325 11.968 1.00 22.11 H new ATOM 0 HZ1 LYS A 30 1.925 -1.737 11.401 1.00 1.20 H new ATOM 0 HZ2 LYS A 30 3.220 -2.832 11.499 1.00 1.20 H new ATOM 0 HZ3 LYS A 30 2.570 -2.419 9.986 1.00 1.20 H new ATOM 524 N THR A 31 3.443 -7.217 5.566 1.00 72.43 N ATOM 525 CA THR A 31 3.293 -8.039 4.347 1.00 40.42 C ATOM 526 C THR A 31 3.596 -7.204 3.079 1.00 74.32 C ATOM 527 O THR A 31 3.128 -6.074 2.928 1.00 23.33 O ATOM 528 CB THR A 31 1.860 -8.673 4.229 1.00 52.11 C ATOM 529 OG1 THR A 31 1.744 -9.412 2.996 1.00 73.52 O ATOM 530 CG2 THR A 31 0.732 -7.618 4.310 1.00 45.11 C ATOM 0 H THR A 31 2.992 -6.305 5.493 1.00 72.43 H new ATOM 0 HA THR A 31 4.015 -8.852 4.428 1.00 40.42 H new ATOM 0 HB THR A 31 1.741 -9.344 5.080 1.00 52.11 H new ATOM 0 HG1 THR A 31 0.848 -9.804 2.933 1.00 73.52 H new ATOM 0 HG21 THR A 31 -0.236 -8.112 4.223 1.00 45.11 H new ATOM 0 HG22 THR A 31 0.789 -7.097 5.266 1.00 45.11 H new ATOM 0 HG23 THR A 31 0.847 -6.900 3.498 1.00 45.11 H new ATOM 538 N HIS A 32 4.390 -7.784 2.166 1.00 71.05 N ATOM 539 CA HIS A 32 4.763 -7.150 0.877 1.00 41.33 C ATOM 540 C HIS A 32 3.664 -7.382 -0.190 1.00 13.43 C ATOM 541 O HIS A 32 3.697 -6.790 -1.272 1.00 3.32 O ATOM 542 CB HIS A 32 6.136 -7.704 0.391 1.00 21.21 C ATOM 543 CG HIS A 32 7.288 -7.412 1.329 1.00 71.32 C ATOM 544 ND1 HIS A 32 8.519 -6.968 0.899 1.00 32.02 N ATOM 545 CD2 HIS A 32 7.386 -7.503 2.678 1.00 12.22 C ATOM 546 CE1 HIS A 32 9.311 -6.800 1.938 1.00 22.15 C ATOM 547 NE2 HIS A 32 8.649 -7.115 3.026 1.00 62.25 N ATOM 0 H HIS A 32 4.797 -8.710 2.295 1.00 71.05 H new ATOM 0 HA HIS A 32 4.855 -6.075 1.029 1.00 41.33 H new ATOM 0 HB2 HIS A 32 6.054 -8.783 0.259 1.00 21.21 H new ATOM 0 HB3 HIS A 32 6.361 -7.279 -0.587 1.00 21.21 H new ATOM 0 HD2 HIS A 32 6.608 -7.824 3.354 1.00 12.22 H new ATOM 0 HE1 HIS A 32 10.335 -6.459 1.900 1.00 22.15 H new ATOM 0 HE2 HIS A 32 9.017 -7.077 3.976 1.00 62.25 H new ATOM 556 N TYR A 33 2.679 -8.238 0.145 1.00 10.03 N ATOM 557 CA TYR A 33 1.549 -8.580 -0.740 1.00 31.22 C ATOM 558 C TYR A 33 0.195 -8.564 0.040 1.00 52.42 C ATOM 559 O TYR A 33 -0.364 -9.613 0.361 1.00 23.35 O ATOM 560 CB TYR A 33 1.827 -9.950 -1.447 1.00 75.00 C ATOM 561 CG TYR A 33 2.180 -11.144 -0.521 1.00 30.15 C ATOM 562 CD1 TYR A 33 3.464 -11.288 0.021 1.00 33.34 C ATOM 563 CD2 TYR A 33 1.234 -12.126 -0.192 1.00 12.44 C ATOM 564 CE1 TYR A 33 3.784 -12.350 0.846 1.00 31.24 C ATOM 565 CE2 TYR A 33 1.553 -13.185 0.633 1.00 64.25 C ATOM 566 CZ TYR A 33 2.826 -13.295 1.148 1.00 51.15 C ATOM 567 OH TYR A 33 3.141 -14.356 1.975 1.00 43.01 O ATOM 0 H TYR A 33 2.645 -8.716 1.046 1.00 10.03 H new ATOM 0 HA TYR A 33 1.457 -7.821 -1.517 1.00 31.22 H new ATOM 0 HB2 TYR A 33 0.946 -10.219 -2.030 1.00 75.00 H new ATOM 0 HB3 TYR A 33 2.646 -9.811 -2.152 1.00 75.00 H new ATOM 0 HD1 TYR A 33 4.221 -10.553 -0.211 1.00 33.34 H new ATOM 0 HD2 TYR A 33 0.234 -12.052 -0.593 1.00 12.44 H new ATOM 0 HE1 TYR A 33 4.781 -12.439 1.253 1.00 31.24 H new ATOM 0 HE2 TYR A 33 0.806 -13.927 0.875 1.00 64.25 H new ATOM 0 HH TYR A 33 2.354 -14.929 2.087 1.00 43.01 H new ATOM 577 N PRO A 34 -0.350 -7.352 0.390 1.00 61.12 N ATOM 578 CA PRO A 34 -1.656 -7.249 1.095 1.00 24.12 C ATOM 579 C PRO A 34 -2.847 -7.641 0.169 1.00 74.42 C ATOM 580 O PRO A 34 -2.981 -7.105 -0.936 1.00 61.33 O ATOM 581 CB PRO A 34 -1.710 -5.758 1.530 1.00 12.23 C ATOM 582 CG PRO A 34 -0.852 -5.036 0.533 1.00 50.44 C ATOM 583 CD PRO A 34 0.249 -6.011 0.144 1.00 62.04 C ATOM 0 HA PRO A 34 -1.741 -7.933 1.939 1.00 24.12 H new ATOM 0 HB2 PRO A 34 -2.732 -5.380 1.519 1.00 12.23 H new ATOM 0 HB3 PRO A 34 -1.332 -5.628 2.544 1.00 12.23 H new ATOM 0 HG2 PRO A 34 -1.434 -4.737 -0.339 1.00 50.44 H new ATOM 0 HG3 PRO A 34 -0.434 -4.127 0.964 1.00 50.44 H new ATOM 0 HD2 PRO A 34 0.539 -5.889 -0.900 1.00 62.04 H new ATOM 0 HD3 PRO A 34 1.146 -5.859 0.744 1.00 62.04 H new ATOM 591 N ASP A 35 -3.687 -8.595 0.623 1.00 44.34 N ATOM 592 CA ASP A 35 -4.858 -9.085 -0.155 1.00 1.34 C ATOM 593 C ASP A 35 -5.998 -8.039 -0.224 1.00 53.22 C ATOM 594 O ASP A 35 -5.896 -6.970 0.374 1.00 4.42 O ATOM 595 CB ASP A 35 -5.373 -10.407 0.452 1.00 74.44 C ATOM 596 CG ASP A 35 -4.271 -11.470 0.509 1.00 43.11 C ATOM 597 OD1 ASP A 35 -3.974 -12.092 -0.537 1.00 52.44 O ATOM 598 OD2 ASP A 35 -3.681 -11.669 1.589 1.00 31.21 O ATOM 0 H ASP A 35 -3.579 -9.048 1.531 1.00 44.34 H new ATOM 0 HA ASP A 35 -4.525 -9.259 -1.178 1.00 1.34 H new ATOM 0 HB2 ASP A 35 -5.753 -10.223 1.457 1.00 74.44 H new ATOM 0 HB3 ASP A 35 -6.208 -10.779 -0.142 1.00 74.44 H new ATOM 603 N VAL A 36 -7.081 -8.391 -0.953 1.00 43.04 N ATOM 604 CA VAL A 36 -8.242 -7.490 -1.242 1.00 24.45 C ATOM 605 C VAL A 36 -8.743 -6.683 -0.008 1.00 40.23 C ATOM 606 O VAL A 36 -8.893 -5.462 -0.081 1.00 13.10 O ATOM 607 CB VAL A 36 -9.437 -8.312 -1.875 1.00 0.04 C ATOM 608 CG1 VAL A 36 -9.876 -9.498 -0.964 1.00 53.01 C ATOM 609 CG2 VAL A 36 -10.645 -7.396 -2.237 1.00 4.50 C ATOM 0 H VAL A 36 -7.184 -9.318 -1.366 1.00 43.04 H new ATOM 0 HA VAL A 36 -7.874 -6.754 -1.957 1.00 24.45 H new ATOM 0 HB VAL A 36 -9.064 -8.740 -2.805 1.00 0.04 H new ATOM 0 HG11 VAL A 36 -10.698 -10.035 -1.437 1.00 53.01 H new ATOM 0 HG12 VAL A 36 -9.035 -10.176 -0.820 1.00 53.01 H new ATOM 0 HG13 VAL A 36 -10.202 -9.113 0.002 1.00 53.01 H new ATOM 0 HG21 VAL A 36 -11.443 -8.000 -2.669 1.00 4.50 H new ATOM 0 HG22 VAL A 36 -11.010 -6.902 -1.336 1.00 4.50 H new ATOM 0 HG23 VAL A 36 -10.328 -6.644 -2.960 1.00 4.50 H new ATOM 619 N TYR A 37 -8.935 -7.378 1.125 1.00 63.53 N ATOM 620 CA TYR A 37 -9.460 -6.785 2.374 1.00 41.45 C ATOM 621 C TYR A 37 -8.436 -5.809 3.009 1.00 3.14 C ATOM 622 O TYR A 37 -8.804 -4.759 3.542 1.00 53.54 O ATOM 623 CB TYR A 37 -9.840 -7.920 3.364 1.00 41.10 C ATOM 624 CG TYR A 37 -10.588 -7.433 4.612 1.00 62.53 C ATOM 625 CD1 TYR A 37 -11.919 -7.017 4.524 1.00 74.24 C ATOM 626 CD2 TYR A 37 -9.973 -7.383 5.869 1.00 73.34 C ATOM 627 CE1 TYR A 37 -12.604 -6.569 5.640 1.00 32.22 C ATOM 628 CE2 TYR A 37 -10.655 -6.936 6.983 1.00 10.34 C ATOM 629 CZ TYR A 37 -11.966 -6.530 6.866 1.00 23.04 C ATOM 630 OH TYR A 37 -12.647 -6.085 7.981 1.00 53.50 O ATOM 0 H TYR A 37 -8.730 -8.374 1.205 1.00 63.53 H new ATOM 0 HA TYR A 37 -10.352 -6.204 2.140 1.00 41.45 H new ATOM 0 HB2 TYR A 37 -10.459 -8.650 2.843 1.00 41.10 H new ATOM 0 HB3 TYR A 37 -8.932 -8.436 3.675 1.00 41.10 H new ATOM 0 HD1 TYR A 37 -12.422 -7.046 3.569 1.00 74.24 H new ATOM 0 HD2 TYR A 37 -8.945 -7.700 5.969 1.00 73.34 H new ATOM 0 HE1 TYR A 37 -13.633 -6.251 5.554 1.00 32.22 H new ATOM 0 HE2 TYR A 37 -10.162 -6.905 7.943 1.00 10.34 H new ATOM 0 HH TYR A 37 -12.056 -6.122 8.762 1.00 53.50 H new ATOM 640 N ALA A 38 -7.147 -6.178 2.926 1.00 71.32 N ATOM 641 CA ALA A 38 -6.023 -5.346 3.415 1.00 15.41 C ATOM 642 C ALA A 38 -5.807 -4.091 2.522 1.00 31.42 C ATOM 643 O ALA A 38 -5.390 -3.037 3.014 1.00 43.25 O ATOM 644 CB ALA A 38 -4.748 -6.198 3.496 1.00 33.52 C ATOM 0 H ALA A 38 -6.849 -7.064 2.517 1.00 71.32 H new ATOM 0 HA ALA A 38 -6.270 -4.983 4.413 1.00 15.41 H new ATOM 0 HB1 ALA A 38 -3.922 -5.584 3.856 1.00 33.52 H new ATOM 0 HB2 ALA A 38 -4.909 -7.029 4.183 1.00 33.52 H new ATOM 0 HB3 ALA A 38 -4.507 -6.587 2.507 1.00 33.52 H new ATOM 650 N ARG A 39 -6.115 -4.226 1.208 1.00 61.02 N ATOM 651 CA ARG A 39 -6.087 -3.104 0.239 1.00 21.25 C ATOM 652 C ARG A 39 -7.185 -2.069 0.584 1.00 21.43 C ATOM 653 O ARG A 39 -6.944 -0.867 0.503 1.00 75.30 O ATOM 654 CB ARG A 39 -6.303 -3.617 -1.215 1.00 22.03 C ATOM 655 CG ARG A 39 -5.197 -4.543 -1.768 1.00 30.22 C ATOM 656 CD ARG A 39 -3.855 -3.817 -2.000 1.00 32.34 C ATOM 657 NE ARG A 39 -2.817 -4.730 -2.517 1.00 5.20 N ATOM 658 CZ ARG A 39 -1.638 -4.380 -2.981 1.00 13.31 C ATOM 659 NH1 ARG A 39 -1.296 -3.141 -3.094 1.00 53.05 N ATOM 660 NH2 ARG A 39 -0.817 -5.298 -3.352 1.00 12.11 N ATOM 0 H ARG A 39 -6.390 -5.116 0.791 1.00 61.02 H new ATOM 0 HA ARG A 39 -5.107 -2.632 0.304 1.00 21.25 H new ATOM 0 HB2 ARG A 39 -7.252 -4.151 -1.255 1.00 22.03 H new ATOM 0 HB3 ARG A 39 -6.394 -2.755 -1.876 1.00 22.03 H new ATOM 0 HG2 ARG A 39 -5.041 -5.367 -1.072 1.00 30.22 H new ATOM 0 HG3 ARG A 39 -5.534 -4.979 -2.708 1.00 30.22 H new ATOM 0 HD2 ARG A 39 -4.002 -2.999 -2.705 1.00 32.34 H new ATOM 0 HD3 ARG A 39 -3.515 -3.374 -1.064 1.00 32.34 H new ATOM 0 HE ARG A 39 -3.035 -5.726 -2.514 1.00 5.20 H new ATOM 0 HH11 ARG A 39 -1.947 -2.405 -2.820 1.00 53.05 H new ATOM 0 HH12 ARG A 39 -0.375 -2.897 -3.457 1.00 53.05 H new ATOM 0 HH21 ARG A 39 -1.085 -6.280 -3.284 1.00 12.11 H new ATOM 0 HH22 ARG A 39 0.102 -5.044 -3.714 1.00 12.11 H new ATOM 674 N GLU A 40 -8.387 -2.568 0.970 1.00 13.30 N ATOM 675 CA GLU A 40 -9.545 -1.720 1.366 1.00 22.12 C ATOM 676 C GLU A 40 -9.212 -0.820 2.578 1.00 62.44 C ATOM 677 O GLU A 40 -9.317 0.405 2.499 1.00 61.04 O ATOM 678 CB GLU A 40 -10.780 -2.605 1.703 1.00 32.04 C ATOM 679 CG GLU A 40 -11.320 -3.438 0.526 1.00 70.52 C ATOM 680 CD GLU A 40 -11.804 -2.580 -0.659 1.00 32.34 C ATOM 681 OE1 GLU A 40 -12.958 -2.094 -0.616 1.00 53.54 O ATOM 682 OE2 GLU A 40 -11.045 -2.384 -1.633 1.00 64.25 O ATOM 0 H GLU A 40 -8.582 -3.568 1.016 1.00 13.30 H new ATOM 0 HA GLU A 40 -9.776 -1.077 0.517 1.00 22.12 H new ATOM 0 HB2 GLU A 40 -10.514 -3.281 2.516 1.00 32.04 H new ATOM 0 HB3 GLU A 40 -11.580 -1.963 2.072 1.00 32.04 H new ATOM 0 HG2 GLU A 40 -10.538 -4.114 0.180 1.00 70.52 H new ATOM 0 HG3 GLU A 40 -12.145 -4.058 0.877 1.00 70.52 H new ATOM 689 N GLN A 41 -8.796 -1.466 3.685 1.00 13.11 N ATOM 690 CA GLN A 41 -8.467 -0.793 4.973 1.00 34.22 C ATOM 691 C GLN A 41 -7.365 0.283 4.797 1.00 3.13 C ATOM 692 O GLN A 41 -7.466 1.397 5.326 1.00 20.34 O ATOM 693 CB GLN A 41 -8.004 -1.857 6.000 1.00 44.52 C ATOM 694 CG GLN A 41 -9.025 -2.986 6.257 1.00 23.25 C ATOM 695 CD GLN A 41 -8.481 -4.086 7.169 1.00 42.33 C ATOM 696 OE1 GLN A 41 -8.646 -4.047 8.382 1.00 21.24 O ATOM 697 NE2 GLN A 41 -7.808 -5.065 6.594 1.00 52.23 N ATOM 0 H GLN A 41 -8.675 -2.478 3.718 1.00 13.11 H new ATOM 0 HA GLN A 41 -9.364 -0.288 5.331 1.00 34.22 H new ATOM 0 HB2 GLN A 41 -7.072 -2.300 5.650 1.00 44.52 H new ATOM 0 HB3 GLN A 41 -7.785 -1.360 6.945 1.00 44.52 H new ATOM 0 HG2 GLN A 41 -9.923 -2.561 6.705 1.00 23.25 H new ATOM 0 HG3 GLN A 41 -9.321 -3.425 5.304 1.00 23.25 H new ATOM 0 HE21 GLN A 41 -7.685 -5.073 5.581 1.00 52.23 H new ATOM 0 HE22 GLN A 41 -7.411 -5.813 7.162 1.00 52.23 H new ATOM 706 N LEU A 42 -6.327 -0.083 4.031 1.00 33.40 N ATOM 707 CA LEU A 42 -5.175 0.791 3.734 1.00 45.22 C ATOM 708 C LEU A 42 -5.570 1.981 2.818 1.00 20.12 C ATOM 709 O LEU A 42 -5.148 3.117 3.055 1.00 1.34 O ATOM 710 CB LEU A 42 -4.045 -0.065 3.100 1.00 72.43 C ATOM 711 CG LEU A 42 -2.737 0.674 2.678 1.00 45.10 C ATOM 712 CD1 LEU A 42 -2.159 1.525 3.834 1.00 54.13 C ATOM 713 CD2 LEU A 42 -1.694 -0.338 2.140 1.00 13.43 C ATOM 0 H LEU A 42 -6.260 -1.002 3.594 1.00 33.40 H new ATOM 0 HA LEU A 42 -4.816 1.231 4.665 1.00 45.22 H new ATOM 0 HB2 LEU A 42 -3.776 -0.847 3.810 1.00 72.43 H new ATOM 0 HB3 LEU A 42 -4.452 -0.560 2.218 1.00 72.43 H new ATOM 0 HG LEU A 42 -2.987 1.366 1.874 1.00 45.10 H new ATOM 0 HD11 LEU A 42 -1.249 2.023 3.499 1.00 54.13 H new ATOM 0 HD12 LEU A 42 -2.892 2.273 4.137 1.00 54.13 H new ATOM 0 HD13 LEU A 42 -1.929 0.879 4.681 1.00 54.13 H new ATOM 0 HD21 LEU A 42 -0.788 0.193 1.850 1.00 13.43 H new ATOM 0 HD22 LEU A 42 -1.456 -1.064 2.918 1.00 13.43 H new ATOM 0 HD23 LEU A 42 -2.104 -0.857 1.273 1.00 13.43 H new ATOM 725 N ALA A 43 -6.402 1.704 1.794 1.00 64.55 N ATOM 726 CA ALA A 43 -6.863 2.728 0.821 1.00 12.20 C ATOM 727 C ALA A 43 -7.790 3.771 1.485 1.00 3.23 C ATOM 728 O ALA A 43 -7.749 4.944 1.134 1.00 65.01 O ATOM 729 CB ALA A 43 -7.564 2.066 -0.377 1.00 0.15 C ATOM 0 H ALA A 43 -6.774 0.771 1.614 1.00 64.55 H new ATOM 0 HA ALA A 43 -5.980 3.255 0.459 1.00 12.20 H new ATOM 0 HB1 ALA A 43 -7.893 2.835 -1.076 1.00 0.15 H new ATOM 0 HB2 ALA A 43 -6.869 1.393 -0.879 1.00 0.15 H new ATOM 0 HB3 ALA A 43 -8.428 1.501 -0.026 1.00 0.15 H new ATOM 735 N MET A 44 -8.620 3.324 2.453 1.00 15.33 N ATOM 736 CA MET A 44 -9.494 4.226 3.250 1.00 14.02 C ATOM 737 C MET A 44 -8.659 5.202 4.114 1.00 2.43 C ATOM 738 O MET A 44 -8.936 6.406 4.141 1.00 42.00 O ATOM 739 CB MET A 44 -10.464 3.410 4.142 1.00 33.35 C ATOM 740 CG MET A 44 -11.518 2.619 3.356 1.00 24.24 C ATOM 741 SD MET A 44 -12.599 3.683 2.374 1.00 71.14 S ATOM 742 CE MET A 44 -13.721 2.482 1.649 1.00 40.33 C ATOM 0 H MET A 44 -8.706 2.339 2.705 1.00 15.33 H new ATOM 0 HA MET A 44 -10.083 4.816 2.548 1.00 14.02 H new ATOM 0 HB2 MET A 44 -9.884 2.717 4.752 1.00 33.35 H new ATOM 0 HB3 MET A 44 -10.971 4.090 4.827 1.00 33.35 H new ATOM 0 HG2 MET A 44 -11.017 1.910 2.697 1.00 24.24 H new ATOM 0 HG3 MET A 44 -12.122 2.036 4.051 1.00 24.24 H new ATOM 0 HE1 MET A 44 -14.445 2.996 1.017 1.00 40.33 H new ATOM 0 HE2 MET A 44 -13.154 1.771 1.048 1.00 40.33 H new ATOM 0 HE3 MET A 44 -14.246 1.949 2.442 1.00 40.33 H new ATOM 752 N ARG A 45 -7.632 4.659 4.807 1.00 21.12 N ATOM 753 CA ARG A 45 -6.675 5.457 5.622 1.00 1.13 C ATOM 754 C ARG A 45 -5.959 6.537 4.780 1.00 1.33 C ATOM 755 O ARG A 45 -5.907 7.705 5.161 1.00 25.41 O ATOM 756 CB ARG A 45 -5.620 4.519 6.276 1.00 42.41 C ATOM 757 CG ARG A 45 -6.155 3.679 7.454 1.00 63.43 C ATOM 758 CD ARG A 45 -5.074 2.769 8.075 1.00 35.01 C ATOM 759 NE ARG A 45 -5.439 2.343 9.441 1.00 52.01 N ATOM 760 CZ ARG A 45 -4.772 2.645 10.538 1.00 4.35 C ATOM 761 NH1 ARG A 45 -3.666 3.326 10.496 1.00 31.53 N ATOM 762 NH2 ARG A 45 -5.235 2.281 11.681 1.00 3.50 N ATOM 0 H ARG A 45 -7.440 3.657 4.820 1.00 21.12 H new ATOM 0 HA ARG A 45 -7.250 5.964 6.397 1.00 1.13 H new ATOM 0 HB2 ARG A 45 -5.229 3.845 5.514 1.00 42.41 H new ATOM 0 HB3 ARG A 45 -4.783 5.123 6.627 1.00 42.41 H new ATOM 0 HG2 ARG A 45 -6.548 4.346 8.222 1.00 63.43 H new ATOM 0 HG3 ARG A 45 -6.987 3.065 7.109 1.00 63.43 H new ATOM 0 HD2 ARG A 45 -4.932 1.891 7.445 1.00 35.01 H new ATOM 0 HD3 ARG A 45 -4.122 3.300 8.101 1.00 35.01 H new ATOM 0 HE ARG A 45 -6.275 1.768 9.545 1.00 52.01 H new ATOM 0 HH11 ARG A 45 -3.294 3.640 9.600 1.00 31.53 H new ATOM 0 HH12 ARG A 45 -3.170 3.546 11.359 1.00 31.53 H new ATOM 0 HH21 ARG A 45 -6.112 1.763 11.734 1.00 3.50 H new ATOM 0 HH22 ARG A 45 -4.725 2.510 12.534 1.00 3.50 H new ATOM 776 N THR A 46 -5.426 6.118 3.629 1.00 30.42 N ATOM 777 CA THR A 46 -4.628 6.984 2.724 1.00 10.24 C ATOM 778 C THR A 46 -5.508 7.855 1.793 1.00 4.53 C ATOM 779 O THR A 46 -4.990 8.764 1.136 1.00 61.43 O ATOM 780 CB THR A 46 -3.676 6.113 1.842 1.00 5.30 C ATOM 781 OG1 THR A 46 -4.447 5.148 1.100 1.00 62.21 O ATOM 782 CG2 THR A 46 -2.616 5.381 2.679 1.00 64.24 C ATOM 0 H THR A 46 -5.531 5.163 3.287 1.00 30.42 H new ATOM 0 HA THR A 46 -4.054 7.652 3.366 1.00 10.24 H new ATOM 0 HB THR A 46 -3.156 6.787 1.162 1.00 5.30 H new ATOM 0 HG1 THR A 46 -4.682 4.398 1.685 1.00 62.21 H new ATOM 0 HG21 THR A 46 -1.979 4.789 2.022 1.00 64.24 H new ATOM 0 HG22 THR A 46 -2.008 6.110 3.214 1.00 64.24 H new ATOM 0 HG23 THR A 46 -3.108 4.724 3.395 1.00 64.24 H new ATOM 790 N ASP A 47 -6.829 7.550 1.745 1.00 42.41 N ATOM 791 CA ASP A 47 -7.812 8.186 0.823 1.00 13.25 C ATOM 792 C ASP A 47 -7.478 7.856 -0.678 1.00 4.44 C ATOM 793 O ASP A 47 -7.845 8.590 -1.603 1.00 23.21 O ATOM 794 CB ASP A 47 -7.933 9.726 1.095 1.00 2.30 C ATOM 795 CG ASP A 47 -9.251 10.341 0.577 1.00 62.20 C ATOM 796 OD1 ASP A 47 -10.300 10.159 1.242 1.00 4.44 O ATOM 797 OD2 ASP A 47 -9.251 11.009 -0.483 1.00 70.34 O ATOM 0 H ASP A 47 -7.250 6.847 2.352 1.00 42.41 H new ATOM 0 HA ASP A 47 -8.795 7.759 1.024 1.00 13.25 H new ATOM 0 HB2 ASP A 47 -7.855 9.905 2.167 1.00 2.30 H new ATOM 0 HB3 ASP A 47 -7.093 10.237 0.624 1.00 2.30 H new ATOM 802 N LEU A 48 -6.802 6.709 -0.897 1.00 73.40 N ATOM 803 CA LEU A 48 -6.446 6.196 -2.243 1.00 73.35 C ATOM 804 C LEU A 48 -7.496 5.183 -2.765 1.00 30.23 C ATOM 805 O LEU A 48 -8.489 4.881 -2.096 1.00 3.52 O ATOM 806 CB LEU A 48 -5.040 5.525 -2.194 1.00 20.32 C ATOM 807 CG LEU A 48 -3.836 6.466 -1.870 1.00 74.21 C ATOM 808 CD1 LEU A 48 -2.522 5.661 -1.743 1.00 71.44 C ATOM 809 CD2 LEU A 48 -3.714 7.596 -2.916 1.00 15.03 C ATOM 0 H LEU A 48 -6.483 6.105 -0.139 1.00 73.40 H new ATOM 0 HA LEU A 48 -6.428 7.041 -2.931 1.00 73.35 H new ATOM 0 HB2 LEU A 48 -5.065 4.732 -1.447 1.00 20.32 H new ATOM 0 HB3 LEU A 48 -4.854 5.050 -3.157 1.00 20.32 H new ATOM 0 HG LEU A 48 -4.026 6.937 -0.905 1.00 74.21 H new ATOM 0 HD11 LEU A 48 -1.700 6.340 -1.517 1.00 71.44 H new ATOM 0 HD12 LEU A 48 -2.619 4.930 -0.941 1.00 71.44 H new ATOM 0 HD13 LEU A 48 -2.319 5.145 -2.682 1.00 71.44 H new ATOM 0 HD21 LEU A 48 -2.867 8.235 -2.664 1.00 15.03 H new ATOM 0 HD22 LEU A 48 -3.560 7.162 -3.904 1.00 15.03 H new ATOM 0 HD23 LEU A 48 -4.628 8.190 -2.919 1.00 15.03 H new ATOM 821 N THR A 49 -7.252 4.678 -3.985 1.00 4.13 N ATOM 822 CA THR A 49 -8.042 3.584 -4.612 1.00 73.13 C ATOM 823 C THR A 49 -7.112 2.362 -4.865 1.00 21.11 C ATOM 824 O THR A 49 -5.881 2.495 -4.761 1.00 51.12 O ATOM 825 CB THR A 49 -8.688 4.082 -5.960 1.00 20.44 C ATOM 826 OG1 THR A 49 -9.269 5.389 -5.773 1.00 61.50 O ATOM 827 CG2 THR A 49 -9.789 3.136 -6.483 1.00 14.41 C ATOM 0 H THR A 49 -6.494 5.016 -4.578 1.00 4.13 H new ATOM 0 HA THR A 49 -8.848 3.285 -3.942 1.00 73.13 H new ATOM 0 HB THR A 49 -7.884 4.108 -6.696 1.00 20.44 H new ATOM 0 HG1 THR A 49 -9.667 5.693 -6.615 1.00 61.50 H new ATOM 0 HG21 THR A 49 -10.197 3.531 -7.413 1.00 14.41 H new ATOM 0 HG22 THR A 49 -9.365 2.148 -6.663 1.00 14.41 H new ATOM 0 HG23 THR A 49 -10.585 3.059 -5.742 1.00 14.41 H new ATOM 835 N GLU A 50 -7.710 1.186 -5.192 1.00 62.44 N ATOM 836 CA GLU A 50 -6.984 -0.094 -5.444 1.00 63.30 C ATOM 837 C GLU A 50 -5.760 0.090 -6.372 1.00 42.10 C ATOM 838 O GLU A 50 -4.678 -0.376 -6.044 1.00 21.02 O ATOM 839 CB GLU A 50 -7.915 -1.183 -6.073 1.00 2.15 C ATOM 840 CG GLU A 50 -9.123 -1.637 -5.213 1.00 23.53 C ATOM 841 CD GLU A 50 -10.273 -0.618 -5.168 1.00 51.12 C ATOM 842 OE1 GLU A 50 -11.061 -0.557 -6.134 1.00 0.22 O ATOM 843 OE2 GLU A 50 -10.383 0.140 -4.186 1.00 12.21 O ATOM 0 H GLU A 50 -8.721 1.096 -5.290 1.00 62.44 H new ATOM 0 HA GLU A 50 -6.642 -0.424 -4.463 1.00 63.30 H new ATOM 0 HB2 GLU A 50 -8.294 -0.802 -7.021 1.00 2.15 H new ATOM 0 HB3 GLU A 50 -7.309 -2.060 -6.301 1.00 2.15 H new ATOM 0 HG2 GLU A 50 -9.502 -2.581 -5.606 1.00 23.53 H new ATOM 0 HG3 GLU A 50 -8.781 -1.829 -4.196 1.00 23.53 H new ATOM 850 N ALA A 51 -5.963 0.784 -7.517 1.00 35.44 N ATOM 851 CA ALA A 51 -4.898 1.034 -8.529 1.00 15.44 C ATOM 852 C ALA A 51 -3.667 1.755 -7.927 1.00 51.14 C ATOM 853 O ALA A 51 -2.533 1.356 -8.175 1.00 14.23 O ATOM 854 CB ALA A 51 -5.461 1.842 -9.715 1.00 12.32 C ATOM 0 H ALA A 51 -6.866 1.187 -7.769 1.00 35.44 H new ATOM 0 HA ALA A 51 -4.560 0.060 -8.883 1.00 15.44 H new ATOM 0 HB1 ALA A 51 -4.670 2.016 -10.445 1.00 12.32 H new ATOM 0 HB2 ALA A 51 -6.271 1.283 -10.184 1.00 12.32 H new ATOM 0 HB3 ALA A 51 -5.840 2.799 -9.356 1.00 12.32 H new ATOM 860 N ARG A 52 -3.913 2.803 -7.115 1.00 23.11 N ATOM 861 CA ARG A 52 -2.836 3.596 -6.453 1.00 74.51 C ATOM 862 C ARG A 52 -1.997 2.714 -5.489 1.00 63.33 C ATOM 863 O ARG A 52 -0.761 2.719 -5.531 1.00 12.30 O ATOM 864 CB ARG A 52 -3.434 4.816 -5.680 1.00 34.12 C ATOM 865 CG ARG A 52 -3.872 6.031 -6.545 1.00 40.21 C ATOM 866 CD ARG A 52 -5.051 5.741 -7.493 1.00 70.21 C ATOM 867 NE ARG A 52 -5.505 6.963 -8.189 1.00 72.25 N ATOM 868 CZ ARG A 52 -5.246 7.282 -9.441 1.00 22.03 C ATOM 869 NH1 ARG A 52 -4.558 6.497 -10.213 1.00 41.41 N ATOM 870 NH2 ARG A 52 -5.686 8.397 -9.917 1.00 10.00 N ATOM 0 H ARG A 52 -4.854 3.129 -6.895 1.00 23.11 H new ATOM 0 HA ARG A 52 -2.177 3.969 -7.238 1.00 74.51 H new ATOM 0 HB2 ARG A 52 -4.298 4.471 -5.112 1.00 34.12 H new ATOM 0 HB3 ARG A 52 -2.694 5.159 -4.957 1.00 34.12 H new ATOM 0 HG2 ARG A 52 -4.146 6.853 -5.884 1.00 40.21 H new ATOM 0 HG3 ARG A 52 -3.020 6.368 -7.136 1.00 40.21 H new ATOM 0 HD2 ARG A 52 -4.752 4.993 -8.228 1.00 70.21 H new ATOM 0 HD3 ARG A 52 -5.879 5.317 -6.925 1.00 70.21 H new ATOM 0 HE ARG A 52 -6.071 7.620 -7.651 1.00 72.25 H new ATOM 0 HH11 ARG A 52 -4.204 5.610 -9.854 1.00 41.41 H new ATOM 0 HH12 ARG A 52 -4.371 6.767 -11.179 1.00 41.41 H new ATOM 0 HH21 ARG A 52 -6.230 9.025 -9.325 1.00 10.00 H new ATOM 0 HH22 ARG A 52 -5.490 8.651 -10.885 1.00 10.00 H new ATOM 884 N VAL A 53 -2.705 1.936 -4.648 1.00 53.24 N ATOM 885 CA VAL A 53 -2.079 1.036 -3.649 1.00 55.03 C ATOM 886 C VAL A 53 -1.312 -0.130 -4.346 1.00 35.42 C ATOM 887 O VAL A 53 -0.230 -0.519 -3.906 1.00 51.04 O ATOM 888 CB VAL A 53 -3.162 0.467 -2.646 1.00 73.02 C ATOM 889 CG1 VAL A 53 -2.509 -0.381 -1.524 1.00 64.15 C ATOM 890 CG2 VAL A 53 -4.017 1.619 -2.044 1.00 74.21 C ATOM 0 H VAL A 53 -3.725 1.911 -4.638 1.00 53.24 H new ATOM 0 HA VAL A 53 -1.358 1.622 -3.079 1.00 55.03 H new ATOM 0 HB VAL A 53 -3.822 -0.190 -3.212 1.00 73.02 H new ATOM 0 HG11 VAL A 53 -3.283 -0.755 -0.854 1.00 64.15 H new ATOM 0 HG12 VAL A 53 -1.975 -1.222 -1.967 1.00 64.15 H new ATOM 0 HG13 VAL A 53 -1.810 0.237 -0.961 1.00 64.15 H new ATOM 0 HG21 VAL A 53 -4.755 1.204 -1.357 1.00 74.21 H new ATOM 0 HG22 VAL A 53 -3.369 2.310 -1.505 1.00 74.21 H new ATOM 0 HG23 VAL A 53 -4.527 2.151 -2.847 1.00 74.21 H new ATOM 900 N GLN A 54 -1.880 -0.652 -5.455 1.00 24.34 N ATOM 901 CA GLN A 54 -1.258 -1.726 -6.274 1.00 21.12 C ATOM 902 C GLN A 54 0.086 -1.263 -6.868 1.00 1.13 C ATOM 903 O GLN A 54 1.115 -1.873 -6.595 1.00 11.13 O ATOM 904 CB GLN A 54 -2.213 -2.210 -7.416 1.00 70.25 C ATOM 905 CG GLN A 54 -3.376 -3.121 -6.952 1.00 64.04 C ATOM 906 CD GLN A 54 -2.915 -4.462 -6.370 1.00 31.24 C ATOM 907 OE1 GLN A 54 -1.869 -4.993 -6.737 1.00 3.21 O ATOM 908 NE2 GLN A 54 -3.701 -5.042 -5.481 1.00 65.41 N ATOM 0 H GLN A 54 -2.784 -0.343 -5.812 1.00 24.34 H new ATOM 0 HA GLN A 54 -1.074 -2.569 -5.608 1.00 21.12 H new ATOM 0 HB2 GLN A 54 -2.632 -1.336 -7.914 1.00 70.25 H new ATOM 0 HB3 GLN A 54 -1.624 -2.748 -8.159 1.00 70.25 H new ATOM 0 HG2 GLN A 54 -3.963 -2.592 -6.201 1.00 64.04 H new ATOM 0 HG3 GLN A 54 -4.037 -3.310 -7.798 1.00 64.04 H new ATOM 0 HE21 GLN A 54 -4.565 -4.585 -5.189 1.00 65.41 H new ATOM 0 HE22 GLN A 54 -3.444 -5.947 -5.086 1.00 65.41 H new ATOM 917 N VAL A 55 0.052 -0.152 -7.639 1.00 4.43 N ATOM 918 CA VAL A 55 1.244 0.423 -8.320 1.00 61.41 C ATOM 919 C VAL A 55 2.408 0.693 -7.330 1.00 50.32 C ATOM 920 O VAL A 55 3.574 0.473 -7.674 1.00 11.13 O ATOM 921 CB VAL A 55 0.875 1.743 -9.108 1.00 73.52 C ATOM 922 CG1 VAL A 55 2.134 2.465 -9.683 1.00 21.33 C ATOM 923 CG2 VAL A 55 -0.139 1.431 -10.242 1.00 51.22 C ATOM 0 H VAL A 55 -0.804 0.376 -7.809 1.00 4.43 H new ATOM 0 HA VAL A 55 1.585 -0.324 -9.037 1.00 61.41 H new ATOM 0 HB VAL A 55 0.414 2.425 -8.394 1.00 73.52 H new ATOM 0 HG11 VAL A 55 1.826 3.365 -10.215 1.00 21.33 H new ATOM 0 HG12 VAL A 55 2.802 2.737 -8.866 1.00 21.33 H new ATOM 0 HG13 VAL A 55 2.654 1.798 -10.370 1.00 21.33 H new ATOM 0 HG21 VAL A 55 -0.383 2.350 -10.775 1.00 51.22 H new ATOM 0 HG22 VAL A 55 0.300 0.715 -10.936 1.00 51.22 H new ATOM 0 HG23 VAL A 55 -1.047 1.009 -9.812 1.00 51.22 H new ATOM 933 N TRP A 56 2.077 1.126 -6.092 1.00 11.20 N ATOM 934 CA TRP A 56 3.088 1.379 -5.042 1.00 33.00 C ATOM 935 C TRP A 56 3.838 0.072 -4.665 1.00 32.24 C ATOM 936 O TRP A 56 5.067 0.017 -4.730 1.00 34.32 O ATOM 937 CB TRP A 56 2.444 2.010 -3.779 1.00 72.24 C ATOM 938 CG TRP A 56 3.462 2.547 -2.788 1.00 14.53 C ATOM 939 CD1 TRP A 56 4.026 3.794 -2.794 1.00 55.22 C ATOM 940 CD2 TRP A 56 4.057 1.855 -1.673 1.00 32.10 C ATOM 941 NE1 TRP A 56 4.905 3.921 -1.752 1.00 42.40 N ATOM 942 CE2 TRP A 56 4.945 2.752 -1.053 1.00 3.33 C ATOM 943 CE3 TRP A 56 3.921 0.572 -1.137 1.00 1.53 C ATOM 944 CZ2 TRP A 56 5.689 2.415 0.071 1.00 1.30 C ATOM 945 CZ3 TRP A 56 4.662 0.232 -0.024 1.00 52.31 C ATOM 946 CH2 TRP A 56 5.538 1.151 0.570 1.00 50.30 C ATOM 0 H TRP A 56 1.118 1.307 -5.797 1.00 11.20 H new ATOM 0 HA TRP A 56 3.809 2.088 -5.448 1.00 33.00 H new ATOM 0 HB2 TRP A 56 1.782 2.821 -4.084 1.00 72.24 H new ATOM 0 HB3 TRP A 56 1.825 1.262 -3.284 1.00 72.24 H new ATOM 0 HD1 TRP A 56 3.809 4.567 -3.517 1.00 55.22 H new ATOM 0 HE1 TRP A 56 5.445 4.758 -1.533 1.00 42.40 H new ATOM 0 HE3 TRP A 56 3.247 -0.142 -1.587 1.00 1.53 H new ATOM 0 HZ2 TRP A 56 6.360 3.124 0.533 1.00 1.30 H new ATOM 0 HZ3 TRP A 56 4.566 -0.758 0.396 1.00 52.31 H new ATOM 0 HH2 TRP A 56 6.105 0.855 1.440 1.00 50.30 H new ATOM 957 N PHE A 57 3.077 -0.976 -4.276 1.00 51.33 N ATOM 958 CA PHE A 57 3.650 -2.293 -3.885 1.00 73.34 C ATOM 959 C PHE A 57 4.364 -3.002 -5.068 1.00 30.22 C ATOM 960 O PHE A 57 5.376 -3.654 -4.862 1.00 70.13 O ATOM 961 CB PHE A 57 2.559 -3.215 -3.255 1.00 14.24 C ATOM 962 CG PHE A 57 2.202 -2.857 -1.809 1.00 31.35 C ATOM 963 CD1 PHE A 57 1.238 -1.896 -1.513 1.00 20.33 C ATOM 964 CD2 PHE A 57 2.859 -3.467 -0.743 1.00 22.35 C ATOM 965 CE1 PHE A 57 0.928 -1.569 -0.209 1.00 54.20 C ATOM 966 CE2 PHE A 57 2.550 -3.138 0.565 1.00 21.25 C ATOM 967 CZ PHE A 57 1.593 -2.184 0.831 1.00 30.24 C ATOM 0 H PHE A 57 2.059 -0.939 -4.223 1.00 51.33 H new ATOM 0 HA PHE A 57 4.410 -2.095 -3.129 1.00 73.34 H new ATOM 0 HB2 PHE A 57 1.657 -3.163 -3.865 1.00 14.24 H new ATOM 0 HB3 PHE A 57 2.907 -4.247 -3.288 1.00 14.24 H new ATOM 0 HD1 PHE A 57 0.723 -1.397 -2.320 1.00 20.33 H new ATOM 0 HD2 PHE A 57 3.620 -4.207 -0.940 1.00 22.35 H new ATOM 0 HE1 PHE A 57 0.166 -0.832 -0.003 1.00 54.20 H new ATOM 0 HE2 PHE A 57 3.061 -3.631 1.379 1.00 21.25 H new ATOM 0 HZ PHE A 57 1.364 -1.918 1.852 1.00 30.24 H new ATOM 977 N GLN A 58 3.845 -2.843 -6.297 1.00 24.24 N ATOM 978 CA GLN A 58 4.486 -3.377 -7.530 1.00 51.25 C ATOM 979 C GLN A 58 5.875 -2.729 -7.764 1.00 1.40 C ATOM 980 O GLN A 58 6.868 -3.413 -8.051 1.00 50.24 O ATOM 981 CB GLN A 58 3.559 -3.127 -8.762 1.00 62.23 C ATOM 982 CG GLN A 58 2.212 -3.905 -8.745 1.00 10.21 C ATOM 983 CD GLN A 58 2.272 -5.369 -9.232 1.00 50.33 C ATOM 984 OE1 GLN A 58 1.284 -5.905 -9.724 1.00 5.25 O ATOM 985 NE2 GLN A 58 3.411 -6.033 -9.129 1.00 70.00 N ATOM 0 H GLN A 58 2.973 -2.344 -6.473 1.00 24.24 H new ATOM 0 HA GLN A 58 4.633 -4.450 -7.402 1.00 51.25 H new ATOM 0 HB2 GLN A 58 3.343 -2.060 -8.824 1.00 62.23 H new ATOM 0 HB3 GLN A 58 4.104 -3.395 -9.667 1.00 62.23 H new ATOM 0 HG2 GLN A 58 1.823 -3.897 -7.727 1.00 10.21 H new ATOM 0 HG3 GLN A 58 1.495 -3.366 -9.364 1.00 10.21 H new ATOM 0 HE21 GLN A 58 4.229 -5.582 -8.719 1.00 70.00 H new ATOM 0 HE22 GLN A 58 3.472 -6.996 -9.459 1.00 70.00 H new ATOM 994 N ASN A 59 5.911 -1.398 -7.598 1.00 31.41 N ATOM 995 CA ASN A 59 7.129 -0.570 -7.745 1.00 40.50 C ATOM 996 C ASN A 59 8.178 -0.930 -6.654 1.00 65.31 C ATOM 997 O ASN A 59 9.377 -1.047 -6.932 1.00 13.35 O ATOM 998 CB ASN A 59 6.708 0.927 -7.645 1.00 1.52 C ATOM 999 CG ASN A 59 7.781 1.952 -8.035 1.00 1.51 C ATOM 1000 OD1 ASN A 59 8.976 1.739 -7.872 1.00 13.23 O ATOM 1001 ND2 ASN A 59 7.347 3.091 -8.543 1.00 42.45 N ATOM 0 H ASN A 59 5.084 -0.853 -7.354 1.00 31.41 H new ATOM 0 HA ASN A 59 7.597 -0.760 -8.711 1.00 40.50 H new ATOM 0 HB2 ASN A 59 5.836 1.083 -8.281 1.00 1.52 H new ATOM 0 HB3 ASN A 59 6.395 1.129 -6.620 1.00 1.52 H new ATOM 0 HD21 ASN A 59 8.012 3.817 -8.809 1.00 42.45 H new ATOM 0 HD22 ASN A 59 6.347 3.245 -8.669 1.00 42.45 H new ATOM 1008 N ARG A 60 7.693 -1.099 -5.411 1.00 43.10 N ATOM 1009 CA ARG A 60 8.534 -1.408 -4.229 1.00 40.54 C ATOM 1010 C ARG A 60 9.052 -2.864 -4.230 1.00 21.11 C ATOM 1011 O ARG A 60 10.116 -3.122 -3.675 1.00 43.34 O ATOM 1012 CB ARG A 60 7.762 -1.079 -2.904 1.00 43.23 C ATOM 1013 CG ARG A 60 7.987 0.350 -2.325 1.00 75.35 C ATOM 1014 CD ARG A 60 7.565 1.511 -3.264 1.00 41.13 C ATOM 1015 NE ARG A 60 8.497 1.720 -4.395 1.00 13.21 N ATOM 1016 CZ ARG A 60 9.452 2.624 -4.445 1.00 31.31 C ATOM 1017 NH1 ARG A 60 9.683 3.425 -3.460 1.00 23.42 N ATOM 1018 NH2 ARG A 60 10.186 2.713 -5.497 1.00 51.14 N ATOM 0 H ARG A 60 6.700 -1.025 -5.191 1.00 43.10 H new ATOM 0 HA ARG A 60 9.416 -0.770 -4.287 1.00 40.54 H new ATOM 0 HB2 ARG A 60 6.695 -1.214 -3.084 1.00 43.23 H new ATOM 0 HB3 ARG A 60 8.052 -1.807 -2.147 1.00 43.23 H new ATOM 0 HG2 ARG A 60 7.433 0.439 -1.391 1.00 75.35 H new ATOM 0 HG3 ARG A 60 9.043 0.465 -2.081 1.00 75.35 H new ATOM 0 HD2 ARG A 60 6.569 1.307 -3.657 1.00 41.13 H new ATOM 0 HD3 ARG A 60 7.497 2.431 -2.684 1.00 41.13 H new ATOM 0 HE ARG A 60 8.390 1.110 -5.206 1.00 13.21 H new ATOM 0 HH11 ARG A 60 9.118 3.368 -2.613 1.00 23.42 H new ATOM 0 HH12 ARG A 60 10.431 4.115 -3.529 1.00 23.42 H new ATOM 0 HH21 ARG A 60 10.026 2.086 -6.285 1.00 51.14 H new ATOM 0 HH22 ARG A 60 10.928 3.411 -5.543 1.00 51.14 H new ATOM 1032 N ARG A 61 8.307 -3.804 -4.845 1.00 41.10 N ATOM 1033 CA ARG A 61 8.751 -5.218 -4.970 1.00 32.41 C ATOM 1034 C ARG A 61 9.715 -5.412 -6.157 1.00 53.21 C ATOM 1035 O ARG A 61 10.482 -6.372 -6.173 1.00 23.00 O ATOM 1036 CB ARG A 61 7.554 -6.185 -5.065 1.00 15.03 C ATOM 1037 CG ARG A 61 6.693 -6.244 -3.786 1.00 74.05 C ATOM 1038 CD ARG A 61 5.479 -7.172 -3.939 1.00 23.25 C ATOM 1039 NE ARG A 61 4.630 -6.814 -5.091 1.00 4.41 N ATOM 1040 CZ ARG A 61 3.344 -7.049 -5.193 1.00 72.30 C ATOM 1041 NH1 ARG A 61 2.646 -7.483 -4.183 1.00 5.44 N ATOM 1042 NH2 ARG A 61 2.755 -6.818 -6.313 1.00 4.34 N ATOM 0 H ARG A 61 7.396 -3.616 -5.264 1.00 41.10 H new ATOM 0 HA ARG A 61 9.299 -5.459 -4.059 1.00 32.41 H new ATOM 0 HB2 ARG A 61 6.923 -5.885 -5.902 1.00 15.03 H new ATOM 0 HB3 ARG A 61 7.925 -7.185 -5.288 1.00 15.03 H new ATOM 0 HG2 ARG A 61 7.307 -6.588 -2.954 1.00 74.05 H new ATOM 0 HG3 ARG A 61 6.350 -5.240 -3.536 1.00 74.05 H new ATOM 0 HD2 ARG A 61 5.824 -8.200 -4.053 1.00 23.25 H new ATOM 0 HD3 ARG A 61 4.882 -7.136 -3.028 1.00 23.25 H new ATOM 0 HE ARG A 61 5.082 -6.344 -5.875 1.00 4.41 H new ATOM 0 HH11 ARG A 61 3.098 -7.649 -3.284 1.00 5.44 H new ATOM 0 HH12 ARG A 61 1.647 -7.657 -4.291 1.00 5.44 H new ATOM 0 HH21 ARG A 61 3.288 -6.458 -7.105 1.00 4.34 H new ATOM 0 HH22 ARG A 61 1.755 -6.995 -6.410 1.00 4.34 H new ATOM 1056 N ALA A 62 9.666 -4.497 -7.145 1.00 3.23 N ATOM 1057 CA ALA A 62 10.698 -4.401 -8.206 1.00 72.33 C ATOM 1058 C ALA A 62 12.047 -3.934 -7.594 1.00 3.31 C ATOM 1059 O ALA A 62 13.109 -4.503 -7.868 1.00 71.11 O ATOM 1060 CB ALA A 62 10.233 -3.434 -9.310 1.00 71.52 C ATOM 0 H ALA A 62 8.919 -3.808 -7.234 1.00 3.23 H new ATOM 0 HA ALA A 62 10.845 -5.384 -8.652 1.00 72.33 H new ATOM 0 HB1 ALA A 62 10.998 -3.371 -10.084 1.00 71.52 H new ATOM 0 HB2 ALA A 62 9.304 -3.800 -9.747 1.00 71.52 H new ATOM 0 HB3 ALA A 62 10.067 -2.445 -8.882 1.00 71.52 H new ATOM 1066 N LYS A 63 11.958 -2.902 -6.734 1.00 31.24 N ATOM 1067 CA LYS A 63 13.097 -2.347 -5.956 1.00 1.52 C ATOM 1068 C LYS A 63 13.608 -3.356 -4.878 1.00 30.22 C ATOM 1069 O LYS A 63 14.802 -3.404 -4.559 1.00 11.54 O ATOM 1070 CB LYS A 63 12.628 -1.017 -5.302 1.00 11.00 C ATOM 1071 CG LYS A 63 13.699 -0.244 -4.501 1.00 55.15 C ATOM 1072 CD LYS A 63 13.161 1.109 -3.973 1.00 41.01 C ATOM 1073 CE LYS A 63 14.197 1.887 -3.143 1.00 50.25 C ATOM 1074 NZ LYS A 63 14.523 1.196 -1.871 1.00 2.41 N ATOM 0 H LYS A 63 11.079 -2.417 -6.553 1.00 31.24 H new ATOM 0 HA LYS A 63 13.939 -2.161 -6.623 1.00 1.52 H new ATOM 0 HB2 LYS A 63 12.247 -0.363 -6.087 1.00 11.00 H new ATOM 0 HB3 LYS A 63 11.793 -1.237 -4.637 1.00 11.00 H new ATOM 0 HG2 LYS A 63 14.035 -0.853 -3.662 1.00 55.15 H new ATOM 0 HG3 LYS A 63 14.568 -0.067 -5.134 1.00 55.15 H new ATOM 0 HD2 LYS A 63 12.846 1.722 -4.817 1.00 41.01 H new ATOM 0 HD3 LYS A 63 12.276 0.928 -3.362 1.00 41.01 H new ATOM 0 HE2 LYS A 63 15.107 2.017 -3.729 1.00 50.25 H new ATOM 0 HE3 LYS A 63 13.813 2.884 -2.926 1.00 50.25 H new ATOM 0 HZ1 LYS A 63 15.159 1.793 -1.305 1.00 2.41 H new ATOM 0 HZ2 LYS A 63 13.648 1.019 -1.338 1.00 2.41 H new ATOM 0 HZ3 LYS A 63 14.991 0.291 -2.078 1.00 2.41 H new ATOM 1088 N TRP A 64 12.669 -4.169 -4.354 1.00 3.11 N ATOM 1089 CA TRP A 64 12.931 -5.248 -3.362 1.00 31.42 C ATOM 1090 C TRP A 64 13.824 -6.380 -3.944 1.00 54.41 C ATOM 1091 O TRP A 64 14.438 -7.137 -3.188 1.00 2.43 O ATOM 1092 CB TRP A 64 11.563 -5.795 -2.872 1.00 32.31 C ATOM 1093 CG TRP A 64 11.590 -6.961 -1.910 1.00 1.12 C ATOM 1094 CD1 TRP A 64 11.734 -6.917 -0.556 1.00 43.14 C ATOM 1095 CD2 TRP A 64 11.450 -8.346 -2.251 1.00 54.02 C ATOM 1096 NE1 TRP A 64 11.680 -8.185 -0.037 1.00 62.44 N ATOM 1097 CE2 TRP A 64 11.515 -9.080 -1.057 1.00 50.22 C ATOM 1098 CE3 TRP A 64 11.279 -9.029 -3.459 1.00 14.03 C ATOM 1099 CZ2 TRP A 64 11.411 -10.466 -1.028 1.00 21.43 C ATOM 1100 CZ3 TRP A 64 11.177 -10.405 -3.437 1.00 42.33 C ATOM 1101 CH2 TRP A 64 11.242 -11.114 -2.227 1.00 72.15 C ATOM 0 H TRP A 64 11.684 -4.098 -4.610 1.00 3.11 H new ATOM 0 HA TRP A 64 13.490 -4.836 -2.522 1.00 31.42 H new ATOM 0 HB2 TRP A 64 11.023 -4.977 -2.396 1.00 32.31 H new ATOM 0 HB3 TRP A 64 10.985 -6.092 -3.747 1.00 32.31 H new ATOM 0 HD1 TRP A 64 11.871 -6.016 0.023 1.00 43.14 H new ATOM 0 HE1 TRP A 64 11.752 -8.423 0.952 1.00 62.44 H new ATOM 0 HE3 TRP A 64 11.228 -8.489 -4.393 1.00 14.03 H new ATOM 0 HZ2 TRP A 64 11.461 -11.012 -0.098 1.00 21.43 H new ATOM 0 HZ3 TRP A 64 11.045 -10.944 -4.364 1.00 42.33 H new ATOM 0 HH2 TRP A 64 11.157 -12.191 -2.239 1.00 72.15 H new ATOM 1112 N ARG A 65 13.872 -6.497 -5.281 1.00 5.02 N ATOM 1113 CA ARG A 65 14.726 -7.492 -5.983 1.00 13.22 C ATOM 1114 C ARG A 65 16.203 -7.029 -6.107 1.00 22.43 C ATOM 1115 O ARG A 65 17.091 -7.870 -6.248 1.00 42.50 O ATOM 1116 CB ARG A 65 14.146 -7.771 -7.389 1.00 5.04 C ATOM 1117 CG ARG A 65 12.701 -8.306 -7.368 1.00 73.11 C ATOM 1118 CD ARG A 65 12.090 -8.450 -8.768 1.00 60.51 C ATOM 1119 NE ARG A 65 10.670 -8.850 -8.701 1.00 32.53 N ATOM 1120 CZ ARG A 65 9.721 -8.458 -9.527 1.00 42.23 C ATOM 1121 NH1 ARG A 65 9.962 -7.620 -10.486 1.00 31.51 N ATOM 1122 NH2 ARG A 65 8.519 -8.895 -9.368 1.00 1.40 N ATOM 0 H ARG A 65 13.325 -5.911 -5.911 1.00 5.02 H new ATOM 0 HA ARG A 65 14.724 -8.403 -5.384 1.00 13.22 H new ATOM 0 HB2 ARG A 65 14.175 -6.851 -7.973 1.00 5.04 H new ATOM 0 HB3 ARG A 65 14.784 -8.493 -7.899 1.00 5.04 H new ATOM 0 HG2 ARG A 65 12.687 -9.276 -6.871 1.00 73.11 H new ATOM 0 HG3 ARG A 65 12.080 -7.634 -6.775 1.00 73.11 H new ATOM 0 HD2 ARG A 65 12.178 -7.505 -9.303 1.00 60.51 H new ATOM 0 HD3 ARG A 65 12.651 -9.191 -9.336 1.00 60.51 H new ATOM 0 HE ARG A 65 10.400 -9.485 -7.950 1.00 32.53 H new ATOM 0 HH11 ARG A 65 10.903 -7.249 -10.614 1.00 31.51 H new ATOM 0 HH12 ARG A 65 9.210 -7.332 -11.112 1.00 31.51 H new ATOM 0 HH21 ARG A 65 8.307 -9.540 -8.607 1.00 1.40 H new ATOM 0 HH22 ARG A 65 7.779 -8.596 -10.003 1.00 1.40 H new ATOM 1136 N LYS A 66 16.436 -5.695 -6.052 1.00 74.04 N ATOM 1137 CA LYS A 66 17.779 -5.054 -6.209 1.00 15.31 C ATOM 1138 C LYS A 66 18.532 -5.522 -7.490 1.00 43.14 C ATOM 1139 O LYS A 66 19.143 -6.593 -7.509 1.00 43.50 O ATOM 1140 CB LYS A 66 18.706 -5.238 -4.957 1.00 10.13 C ATOM 1141 CG LYS A 66 18.179 -4.630 -3.624 1.00 13.20 C ATOM 1142 CD LYS A 66 17.216 -5.572 -2.872 1.00 71.03 C ATOM 1143 CE LYS A 66 16.637 -4.957 -1.592 1.00 33.22 C ATOM 1144 NZ LYS A 66 15.782 -5.923 -0.859 1.00 33.24 N ATOM 0 H LYS A 66 15.690 -5.018 -5.895 1.00 74.04 H new ATOM 0 HA LYS A 66 17.557 -3.992 -6.310 1.00 15.31 H new ATOM 0 HB2 LYS A 66 18.873 -6.305 -4.806 1.00 10.13 H new ATOM 0 HB3 LYS A 66 19.676 -4.792 -5.179 1.00 10.13 H new ATOM 0 HG2 LYS A 66 19.025 -4.394 -2.979 1.00 13.20 H new ATOM 0 HG3 LYS A 66 17.668 -3.691 -3.836 1.00 13.20 H new ATOM 0 HD2 LYS A 66 16.397 -5.848 -3.536 1.00 71.03 H new ATOM 0 HD3 LYS A 66 17.744 -6.491 -2.618 1.00 71.03 H new ATOM 0 HE2 LYS A 66 17.451 -4.628 -0.946 1.00 33.22 H new ATOM 0 HE3 LYS A 66 16.053 -4.072 -1.845 1.00 33.22 H new ATOM 0 HZ1 LYS A 66 15.151 -5.407 -0.213 1.00 33.24 H new ATOM 0 HZ2 LYS A 66 15.213 -6.468 -1.538 1.00 33.24 H new ATOM 0 HZ3 LYS A 66 16.382 -6.572 -0.312 1.00 33.24 H new ATOM 1158 N ARG A 67 18.474 -4.720 -8.558 1.00 54.45 N ATOM 1159 CA ARG A 67 19.268 -4.966 -9.782 1.00 24.12 C ATOM 1160 C ARG A 67 20.711 -4.404 -9.604 1.00 74.41 C ATOM 1161 O ARG A 67 20.912 -3.415 -8.876 1.00 43.44 O ATOM 1162 CB ARG A 67 18.542 -4.351 -11.007 1.00 52.33 C ATOM 1163 CG ARG A 67 19.245 -4.569 -12.371 1.00 40.41 C ATOM 1164 CD ARG A 67 18.335 -4.277 -13.578 1.00 52.22 C ATOM 1165 NE ARG A 67 17.248 -5.268 -13.713 1.00 2.21 N ATOM 1166 CZ ARG A 67 16.883 -5.854 -14.835 1.00 20.04 C ATOM 1167 NH1 ARG A 67 17.416 -5.537 -15.973 1.00 20.41 N ATOM 1168 NH2 ARG A 67 15.963 -6.751 -14.814 1.00 55.55 N ATOM 0 H ARG A 67 17.884 -3.889 -8.606 1.00 54.45 H new ATOM 0 HA ARG A 67 19.360 -6.038 -9.958 1.00 24.12 H new ATOM 0 HB2 ARG A 67 17.538 -4.772 -11.063 1.00 52.33 H new ATOM 0 HB3 ARG A 67 18.430 -3.279 -10.842 1.00 52.33 H new ATOM 0 HG2 ARG A 67 20.125 -3.928 -12.425 1.00 40.41 H new ATOM 0 HG3 ARG A 67 19.596 -5.599 -12.430 1.00 40.41 H new ATOM 0 HD2 ARG A 67 17.905 -3.281 -13.473 1.00 52.22 H new ATOM 0 HD3 ARG A 67 18.934 -4.271 -14.489 1.00 52.22 H new ATOM 0 HE ARG A 67 16.737 -5.520 -12.867 1.00 2.21 H new ATOM 0 HH11 ARG A 67 18.137 -4.817 -16.015 1.00 20.41 H new ATOM 0 HH12 ARG A 67 17.114 -6.007 -16.826 1.00 20.41 H new ATOM 0 HH21 ARG A 67 15.519 -7.006 -13.932 1.00 55.55 H new ATOM 0 HH22 ARG A 67 15.676 -7.208 -15.680 1.00 55.55 H new ATOM 1182 N GLU A 68 21.697 -5.067 -10.260 1.00 73.30 N ATOM 1183 CA GLU A 68 23.152 -4.769 -10.138 1.00 44.31 C ATOM 1184 C GLU A 68 23.706 -5.148 -8.731 1.00 1.14 C ATOM 1185 O GLU A 68 24.457 -4.385 -8.108 1.00 71.45 O ATOM 1186 CB GLU A 68 23.484 -3.285 -10.515 1.00 50.25 C ATOM 1187 CG GLU A 68 23.106 -2.894 -11.961 1.00 23.53 C ATOM 1188 CD GLU A 68 23.459 -1.435 -12.313 1.00 32.42 C ATOM 1189 OE1 GLU A 68 24.643 -1.154 -12.599 1.00 2.24 O ATOM 1190 OE2 GLU A 68 22.565 -0.565 -12.300 1.00 72.34 O ATOM 0 H GLU A 68 21.503 -5.837 -10.900 1.00 73.30 H new ATOM 0 HA GLU A 68 23.664 -5.400 -10.864 1.00 44.31 H new ATOM 0 HB2 GLU A 68 22.963 -2.622 -9.824 1.00 50.25 H new ATOM 0 HB3 GLU A 68 24.552 -3.117 -10.373 1.00 50.25 H new ATOM 0 HG2 GLU A 68 23.617 -3.561 -12.655 1.00 23.53 H new ATOM 0 HG3 GLU A 68 22.036 -3.045 -12.102 1.00 23.53 H new ATOM 1197 N ARG A 69 23.312 -6.348 -8.247 1.00 55.34 N ATOM 1198 CA ARG A 69 23.866 -6.959 -7.008 1.00 42.22 C ATOM 1199 C ARG A 69 25.384 -7.228 -7.156 1.00 2.30 C ATOM 1200 O ARG A 69 26.185 -6.905 -6.268 1.00 50.34 O ATOM 1201 CB ARG A 69 23.142 -8.299 -6.683 1.00 15.23 C ATOM 1202 CG ARG A 69 21.632 -8.177 -6.372 1.00 63.32 C ATOM 1203 CD ARG A 69 20.981 -9.547 -6.090 1.00 51.32 C ATOM 1204 NE ARG A 69 19.551 -9.437 -5.711 1.00 44.33 N ATOM 1205 CZ ARG A 69 18.952 -10.133 -4.760 1.00 72.15 C ATOM 1206 NH1 ARG A 69 19.622 -10.907 -3.963 1.00 33.44 N ATOM 1207 NH2 ARG A 69 17.676 -10.028 -4.596 1.00 62.10 N ATOM 0 H ARG A 69 22.602 -6.923 -8.701 1.00 55.34 H new ATOM 0 HA ARG A 69 23.704 -6.253 -6.194 1.00 42.22 H new ATOM 0 HB2 ARG A 69 23.268 -8.975 -7.528 1.00 15.23 H new ATOM 0 HB3 ARG A 69 23.636 -8.761 -5.828 1.00 15.23 H new ATOM 0 HG2 ARG A 69 21.492 -7.526 -5.509 1.00 63.32 H new ATOM 0 HG3 ARG A 69 21.127 -7.703 -7.214 1.00 63.32 H new ATOM 0 HD2 ARG A 69 21.070 -10.176 -6.976 1.00 51.32 H new ATOM 0 HD3 ARG A 69 21.527 -10.046 -5.289 1.00 51.32 H new ATOM 0 HE ARG A 69 18.981 -8.767 -6.228 1.00 44.33 H new ATOM 0 HH11 ARG A 69 20.634 -10.989 -4.063 1.00 33.44 H new ATOM 0 HH12 ARG A 69 19.137 -11.434 -3.237 1.00 33.44 H new ATOM 0 HH21 ARG A 69 17.133 -9.410 -5.199 1.00 62.10 H new ATOM 0 HH22 ARG A 69 17.210 -10.563 -3.863 1.00 62.10 H new ATOM 1221 N PHE A 70 25.748 -7.860 -8.289 1.00 52.02 N ATOM 1222 CA PHE A 70 27.154 -8.146 -8.658 1.00 25.31 C ATOM 1223 C PHE A 70 27.822 -6.907 -9.310 1.00 3.13 C ATOM 1224 O PHE A 70 27.136 -5.960 -9.721 1.00 52.11 O ATOM 1225 CB PHE A 70 27.222 -9.381 -9.611 1.00 21.11 C ATOM 1226 CG PHE A 70 26.582 -9.172 -10.994 1.00 22.22 C ATOM 1227 CD1 PHE A 70 25.196 -9.233 -11.167 1.00 75.25 C ATOM 1228 CD2 PHE A 70 27.366 -8.915 -12.125 1.00 61.01 C ATOM 1229 CE1 PHE A 70 24.623 -9.039 -12.413 1.00 64.33 C ATOM 1230 CE2 PHE A 70 26.788 -8.723 -13.367 1.00 21.54 C ATOM 1231 CZ PHE A 70 25.419 -8.787 -13.509 1.00 3.52 C ATOM 0 H PHE A 70 25.073 -8.189 -8.980 1.00 52.02 H new ATOM 0 HA PHE A 70 27.707 -8.380 -7.748 1.00 25.31 H new ATOM 0 HB2 PHE A 70 28.267 -9.657 -9.749 1.00 21.11 H new ATOM 0 HB3 PHE A 70 26.732 -10.224 -9.124 1.00 21.11 H new ATOM 0 HD1 PHE A 70 24.562 -9.434 -10.316 1.00 75.25 H new ATOM 0 HD2 PHE A 70 28.440 -8.866 -12.026 1.00 61.01 H new ATOM 0 HE1 PHE A 70 23.550 -9.085 -12.526 1.00 64.33 H new ATOM 0 HE2 PHE A 70 27.411 -8.523 -14.226 1.00 21.54 H new ATOM 0 HZ PHE A 70 24.970 -8.640 -14.480 1.00 3.52 H new ATOM 1241 N GLY A 71 29.162 -6.929 -9.393 1.00 73.05 N ATOM 1242 CA GLY A 71 29.938 -5.827 -9.990 1.00 65.13 C ATOM 1243 C GLY A 71 30.245 -4.683 -9.015 1.00 74.04 C ATOM 1244 O GLY A 71 29.709 -4.634 -7.904 1.00 31.21 O ATOM 0 H GLY A 71 29.734 -7.702 -9.053 1.00 73.05 H new ATOM 0 HA2 GLY A 71 30.877 -6.224 -10.376 1.00 65.13 H new ATOM 0 HA3 GLY A 71 29.387 -5.428 -10.842 1.00 65.13 H new ATOM 1248 N GLN A 72 31.127 -3.764 -9.441 1.00 40.13 N ATOM 1249 CA GLN A 72 31.537 -2.590 -8.637 1.00 71.31 C ATOM 1250 C GLN A 72 30.514 -1.434 -8.792 1.00 23.53 C ATOM 1251 O GLN A 72 29.736 -1.406 -9.760 1.00 74.41 O ATOM 1252 CB GLN A 72 32.962 -2.098 -9.056 1.00 14.34 C ATOM 1253 CG GLN A 72 34.145 -3.084 -8.797 1.00 2.24 C ATOM 1254 CD GLN A 72 34.374 -4.161 -9.882 1.00 52.33 C ATOM 1255 OE1 GLN A 72 33.460 -4.616 -10.564 1.00 22.45 O ATOM 1256 NE2 GLN A 72 35.607 -4.592 -10.036 1.00 40.22 N ATOM 0 H GLN A 72 31.579 -3.810 -10.354 1.00 40.13 H new ATOM 0 HA GLN A 72 31.566 -2.896 -7.591 1.00 71.31 H new ATOM 0 HB2 GLN A 72 32.942 -1.862 -10.120 1.00 14.34 H new ATOM 0 HB3 GLN A 72 33.171 -1.168 -8.527 1.00 14.34 H new ATOM 0 HG2 GLN A 72 35.061 -2.503 -8.690 1.00 2.24 H new ATOM 0 HG3 GLN A 72 33.973 -3.586 -7.845 1.00 2.24 H new ATOM 0 HE21 GLN A 72 36.357 -4.206 -9.463 1.00 40.22 H new ATOM 0 HE22 GLN A 72 35.813 -5.312 -10.728 1.00 40.22 H new ATOM 1265 N MET A 73 30.524 -0.483 -7.835 1.00 61.01 N ATOM 1266 CA MET A 73 29.692 0.741 -7.923 1.00 32.33 C ATOM 1267 C MET A 73 30.218 1.692 -9.027 1.00 11.15 C ATOM 1268 O MET A 73 31.387 1.620 -9.421 1.00 21.35 O ATOM 1269 CB MET A 73 29.635 1.480 -6.558 1.00 73.10 C ATOM 1270 CG MET A 73 28.935 0.702 -5.426 1.00 21.14 C ATOM 1271 SD MET A 73 28.718 1.692 -3.924 1.00 12.32 S ATOM 1272 CE MET A 73 27.661 3.027 -4.504 1.00 63.02 C ATOM 0 H MET A 73 31.097 -0.536 -6.993 1.00 61.01 H new ATOM 0 HA MET A 73 28.681 0.432 -8.187 1.00 32.33 H new ATOM 0 HB2 MET A 73 30.653 1.711 -6.244 1.00 73.10 H new ATOM 0 HB3 MET A 73 29.120 2.431 -6.698 1.00 73.10 H new ATOM 0 HG2 MET A 73 27.960 0.361 -5.775 1.00 21.14 H new ATOM 0 HG3 MET A 73 29.518 -0.188 -5.188 1.00 21.14 H new ATOM 0 HE1 MET A 73 28.243 3.945 -4.579 1.00 63.02 H new ATOM 0 HE2 MET A 73 27.257 2.772 -5.484 1.00 63.02 H new ATOM 0 HE3 MET A 73 26.841 3.174 -3.801 1.00 63.02 H new ATOM 1282 N GLN A 74 29.340 2.586 -9.502 1.00 24.32 N ATOM 1283 CA GLN A 74 29.647 3.504 -10.619 1.00 31.14 C ATOM 1284 C GLN A 74 30.644 4.616 -10.200 1.00 24.13 C ATOM 1285 O GLN A 74 30.493 5.233 -9.140 1.00 43.23 O ATOM 1286 CB GLN A 74 28.332 4.122 -11.160 1.00 24.12 C ATOM 1287 CG GLN A 74 28.517 5.096 -12.342 1.00 61.34 C ATOM 1288 CD GLN A 74 27.203 5.663 -12.865 1.00 10.35 C ATOM 1289 OE1 GLN A 74 26.734 6.699 -12.414 1.00 2.51 O ATOM 1290 NE2 GLN A 74 26.600 4.987 -13.816 1.00 30.32 N ATOM 0 H GLN A 74 28.398 2.697 -9.127 1.00 24.32 H new ATOM 0 HA GLN A 74 30.129 2.927 -11.409 1.00 31.14 H new ATOM 0 HB2 GLN A 74 27.669 3.315 -11.472 1.00 24.12 H new ATOM 0 HB3 GLN A 74 27.833 4.649 -10.347 1.00 24.12 H new ATOM 0 HG2 GLN A 74 29.161 5.918 -12.029 1.00 61.34 H new ATOM 0 HG3 GLN A 74 29.031 4.579 -13.153 1.00 61.34 H new ATOM 0 HE21 GLN A 74 27.016 4.126 -14.172 1.00 30.32 H new ATOM 0 HE22 GLN A 74 25.716 5.323 -14.199 1.00 30.32 H new ATOM 1299 N GLN A 75 31.655 4.866 -11.051 1.00 4.22 N ATOM 1300 CA GLN A 75 32.680 5.915 -10.819 1.00 52.44 C ATOM 1301 C GLN A 75 32.778 6.853 -12.058 1.00 2.10 C ATOM 1302 O GLN A 75 32.193 7.966 -12.028 1.00 36.64 O ATOM 1303 CB GLN A 75 34.053 5.254 -10.482 1.00 72.43 C ATOM 1304 CG GLN A 75 35.191 6.244 -10.127 1.00 62.42 C ATOM 1305 CD GLN A 75 34.925 7.071 -8.859 1.00 3.12 C ATOM 1306 OE1 GLN A 75 34.255 6.626 -7.928 1.00 32.42 O ATOM 1307 NE2 GLN A 75 35.455 8.278 -8.807 1.00 53.31 N ATOM 1308 OXT GLN A 75 33.390 6.458 -13.083 1.00 36.64 O ATOM 0 H GLN A 75 31.790 4.350 -11.920 1.00 4.22 H new ATOM 0 HA GLN A 75 32.387 6.527 -9.966 1.00 52.44 H new ATOM 0 HB2 GLN A 75 33.913 4.570 -9.645 1.00 72.43 H new ATOM 0 HB3 GLN A 75 34.368 4.653 -11.335 1.00 72.43 H new ATOM 0 HG2 GLN A 75 36.118 5.685 -9.997 1.00 62.42 H new ATOM 0 HG3 GLN A 75 35.344 6.923 -10.966 1.00 62.42 H new ATOM 0 HE21 GLN A 75 36.007 8.627 -9.591 1.00 53.31 H new ATOM 0 HE22 GLN A 75 35.313 8.862 -7.983 1.00 53.31 H new TER 1317 GLN A 75