USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 806 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 49 ASN : amide:sc= -0.0115 K(o=-0.19,f=-4.4!) USER MOD Set 1.2: A 83 ASN : amide:sc= -0.174 K(o=-0.19,f=-3.1!) USER MOD Set 2.1: A 48 LYS NZ :NH3+ -123:sc= 0.0209 (180deg=-0.83) USER MOD Set 2.2: A 73 MET CE :methyl -132:sc= -0.0841 (180deg=-4.4!) USER MOD Single : A 4 ASN : amide:sc= -0.0984 X(o=-0.098,f=-0.084) USER MOD Single : A 5 ASN : amide:sc= -3.8! C(o=-3.8!,f=-7.6!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.0376 K(o=-0.038,f=-1.6!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0999 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -166:sc= 3.99 (180deg=3.48) USER MOD Single : A 22 HIS : no HD1:sc= -1.17 K(o=-1.2,f=-0.16) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot -150:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= -0.0641 (180deg=-0.0641) USER MOD Single : A 39 ASN : amide:sc= -3.56 K(o=-3.6,f=-4.2!) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl -175:sc= -0.313 (180deg=-0.327) USER MOD Single : A 51 LYS NZ :NH3+ -173:sc= 0.773 (180deg=0.704) USER MOD Single : A 54 LYS NZ :NH3+ -169:sc=-0.00577 (180deg=-0.158) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0.44) USER MOD Single : A 57 HIS : no HE2:sc= -1.75 K(o=-1.8,f=-3.4!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc=-0.00626 X(o=-0.0063,f=-0.0071) USER MOD Single : A 67 GLN : amide:sc= -0.782 K(o=-0.78,f=-6.3!) USER MOD Single : A 68 HIS : no HD1:sc= -5.57! C(o=-5.6!,f=-8.5!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot -117:sc= 0.139 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.465) USER MOD Single : A 84 TYR OH : rot 130:sc= -3.53! USER MOD Single : A 85 THR OG1 : rot 78:sc= 0.0935 USER MOD Single : A 90 ASN : amide:sc= -4! C(o=-4!,f=-2.6!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot -178:sc= -0.524 USER MOD Single : A 96 ASN : amide:sc= -1.28 K(o=-1.3,f=-0.33) USER MOD Single : A 97 HIS : no HE2:sc= -0.796 X(o=-0.8,f=-0.75) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 30:sc= -0.375 USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 4 1.298 23.445 -6.004 1.00 1.39 N ATOM 2 CA ASN A 4 1.038 22.051 -5.676 1.00 1.19 C ATOM 3 C ASN A 4 0.407 21.933 -4.282 1.00 0.98 C ATOM 4 O ASN A 4 -0.783 22.205 -4.120 1.00 1.50 O ATOM 5 CB ASN A 4 2.330 21.233 -5.779 1.00 1.71 C ATOM 6 CG ASN A 4 2.876 21.191 -7.192 1.00 1.99 C ATOM 7 OD1 ASN A 4 2.377 21.879 -8.084 1.00 2.33 O ATOM 8 ND2 ASN A 4 3.907 20.382 -7.404 1.00 2.64 N ATOM 0 HA ASN A 4 0.326 21.646 -6.395 1.00 1.19 H new ATOM 0 HB2 ASN A 4 3.081 21.660 -5.115 1.00 1.71 H new ATOM 0 HB3 ASN A 4 2.141 20.216 -5.435 1.00 1.71 H new ATOM 0 HD21 ASN A 4 4.318 20.312 -8.335 1.00 2.64 H new ATOM 0 HD22 ASN A 4 4.289 19.830 -6.636 1.00 2.64 H new ATOM 15 N ASN A 5 1.190 21.524 -3.274 1.00 0.76 N ATOM 16 CA ASN A 5 0.697 21.365 -1.908 1.00 0.53 C ATOM 17 C ASN A 5 0.061 19.999 -1.744 1.00 0.49 C ATOM 18 O ASN A 5 -0.049 19.237 -2.701 1.00 0.60 O ATOM 19 CB ASN A 5 -0.303 22.459 -1.507 1.00 0.52 C ATOM 20 CG ASN A 5 0.023 23.812 -2.113 1.00 0.63 C ATOM 21 OD1 ASN A 5 1.089 24.004 -2.697 1.00 1.19 O ATOM 22 ND2 ASN A 5 -0.900 24.759 -1.978 1.00 1.41 N ATOM 0 H ASN A 5 2.178 21.296 -3.387 1.00 0.76 H new ATOM 0 HA ASN A 5 1.557 21.459 -1.245 1.00 0.53 H new ATOM 0 HB2 ASN A 5 -1.304 22.160 -1.817 1.00 0.52 H new ATOM 0 HB3 ASN A 5 -0.319 22.548 -0.421 1.00 0.52 H new ATOM 0 HD21 ASN A 5 -0.738 25.688 -2.366 1.00 1.41 H new ATOM 0 HD22 ASN A 5 -1.770 24.557 -1.486 1.00 1.41 H new ATOM 29 N LYS A 6 -0.353 19.692 -0.528 1.00 0.45 N ATOM 30 CA LYS A 6 -0.975 18.408 -0.245 1.00 0.49 C ATOM 31 C LYS A 6 -2.487 18.559 -0.139 1.00 0.49 C ATOM 32 O LYS A 6 -2.989 19.438 0.559 1.00 0.56 O ATOM 33 CB LYS A 6 -0.410 17.784 1.042 1.00 0.64 C ATOM 34 CG LYS A 6 0.444 18.725 1.883 1.00 1.28 C ATOM 35 CD LYS A 6 1.772 19.028 1.216 1.00 1.76 C ATOM 36 CE LYS A 6 2.205 20.462 1.473 1.00 2.52 C ATOM 37 NZ LYS A 6 3.566 20.529 2.076 1.00 3.06 N ATOM 0 H LYS A 6 -0.271 20.311 0.278 1.00 0.45 H new ATOM 0 HA LYS A 6 -0.745 17.738 -1.073 1.00 0.49 H new ATOM 0 HB2 LYS A 6 -1.240 17.426 1.651 1.00 0.64 H new ATOM 0 HB3 LYS A 6 0.188 16.913 0.775 1.00 0.64 H new ATOM 0 HG2 LYS A 6 -0.099 19.655 2.052 1.00 1.28 H new ATOM 0 HG3 LYS A 6 0.622 18.278 2.861 1.00 1.28 H new ATOM 0 HD2 LYS A 6 2.534 18.343 1.590 1.00 1.76 H new ATOM 0 HD3 LYS A 6 1.689 18.858 0.143 1.00 1.76 H new ATOM 0 HE2 LYS A 6 2.195 21.018 0.536 1.00 2.52 H new ATOM 0 HE3 LYS A 6 1.489 20.944 2.138 1.00 2.52 H new ATOM 0 HZ1 LYS A 6 3.826 21.523 2.236 1.00 3.06 H new ATOM 0 HZ2 LYS A 6 3.569 20.020 2.983 1.00 3.06 H new ATOM 0 HZ3 LYS A 6 4.254 20.091 1.430 1.00 3.06 H new ATOM 51 N ARG A 7 -3.204 17.689 -0.836 1.00 0.50 N ATOM 52 CA ARG A 7 -4.658 17.712 -0.826 1.00 0.52 C ATOM 53 C ARG A 7 -5.202 16.293 -0.791 1.00 0.47 C ATOM 54 O ARG A 7 -4.899 15.477 -1.670 1.00 0.43 O ATOM 55 CB ARG A 7 -5.194 18.455 -2.052 1.00 0.57 C ATOM 56 CG ARG A 7 -5.434 19.936 -1.806 1.00 0.77 C ATOM 57 CD ARG A 7 -4.162 20.747 -1.996 1.00 0.64 C ATOM 58 NE ARG A 7 -4.331 21.806 -2.989 1.00 0.98 N ATOM 59 CZ ARG A 7 -4.970 22.945 -2.749 1.00 1.66 C ATOM 60 NH1 ARG A 7 -5.507 23.170 -1.558 1.00 2.46 N ATOM 61 NH2 ARG A 7 -5.079 23.860 -3.704 1.00 2.11 N ATOM 0 H ARG A 7 -2.799 16.956 -1.418 1.00 0.50 H new ATOM 0 HA ARG A 7 -4.990 18.240 0.068 1.00 0.52 H new ATOM 0 HB2 ARG A 7 -4.487 18.341 -2.874 1.00 0.57 H new ATOM 0 HB3 ARG A 7 -6.128 17.991 -2.368 1.00 0.57 H new ATOM 0 HG2 ARG A 7 -6.203 20.299 -2.488 1.00 0.77 H new ATOM 0 HG3 ARG A 7 -5.811 20.081 -0.794 1.00 0.77 H new ATOM 0 HD2 ARG A 7 -3.867 21.187 -1.043 1.00 0.64 H new ATOM 0 HD3 ARG A 7 -3.353 20.085 -2.306 1.00 0.64 H new ATOM 0 HE ARG A 7 -3.936 21.662 -3.918 1.00 0.98 H new ATOM 0 HH11 ARG A 7 -5.430 22.467 -0.823 1.00 2.46 H new ATOM 0 HH12 ARG A 7 -5.997 24.046 -1.377 1.00 2.46 H new ATOM 0 HH21 ARG A 7 -4.672 23.689 -4.623 1.00 2.11 H new ATOM 0 HH22 ARG A 7 -5.570 24.735 -3.519 1.00 2.11 H new ATOM 75 N ALA A 8 -5.996 16.009 0.241 1.00 0.50 N ATOM 76 CA ALA A 8 -6.590 14.689 0.439 1.00 0.47 C ATOM 77 C ALA A 8 -7.033 14.052 -0.875 1.00 0.44 C ATOM 78 O ALA A 8 -8.044 14.446 -1.453 1.00 0.56 O ATOM 79 CB ALA A 8 -7.773 14.786 1.390 1.00 0.54 C ATOM 0 H ALA A 8 -6.245 16.687 0.962 1.00 0.50 H new ATOM 0 HA ALA A 8 -5.820 14.049 0.871 1.00 0.47 H new ATOM 0 HB1 ALA A 8 -8.209 13.797 1.531 1.00 0.54 H new ATOM 0 HB2 ALA A 8 -7.436 15.174 2.351 1.00 0.54 H new ATOM 0 HB3 ALA A 8 -8.523 15.456 0.970 1.00 0.54 H new ATOM 85 N PRO A 9 -6.286 13.046 -1.360 1.00 0.36 N ATOM 86 CA PRO A 9 -6.618 12.354 -2.600 1.00 0.37 C ATOM 87 C PRO A 9 -7.802 11.413 -2.416 1.00 0.37 C ATOM 88 O PRO A 9 -7.815 10.590 -1.500 1.00 0.40 O ATOM 89 CB PRO A 9 -5.345 11.559 -2.937 1.00 0.39 C ATOM 90 CG PRO A 9 -4.315 11.995 -1.946 1.00 0.51 C ATOM 91 CD PRO A 9 -5.070 12.499 -0.752 1.00 0.41 C ATOM 0 HA PRO A 9 -6.910 13.047 -3.389 1.00 0.37 H new ATOM 0 HB2 PRO A 9 -5.525 10.486 -2.867 1.00 0.39 H new ATOM 0 HB3 PRO A 9 -5.017 11.761 -3.956 1.00 0.39 H new ATOM 0 HG2 PRO A 9 -3.663 11.166 -1.672 1.00 0.51 H new ATOM 0 HG3 PRO A 9 -3.680 12.776 -2.363 1.00 0.51 H new ATOM 0 HD2 PRO A 9 -5.293 11.700 -0.045 1.00 0.41 H new ATOM 0 HD3 PRO A 9 -4.510 13.259 -0.208 1.00 0.41 H new ATOM 99 N TYR A 10 -8.801 11.539 -3.284 1.00 0.38 N ATOM 100 CA TYR A 10 -9.989 10.697 -3.202 1.00 0.41 C ATOM 101 C TYR A 10 -9.746 9.357 -3.886 1.00 0.38 C ATOM 102 O TYR A 10 -9.121 9.295 -4.943 1.00 0.44 O ATOM 103 CB TYR A 10 -11.185 11.404 -3.836 1.00 0.49 C ATOM 104 CG TYR A 10 -11.283 12.870 -3.473 1.00 1.15 C ATOM 105 CD1 TYR A 10 -11.861 13.272 -2.277 1.00 2.02 C ATOM 106 CD2 TYR A 10 -10.794 13.852 -4.328 1.00 1.90 C ATOM 107 CE1 TYR A 10 -11.953 14.610 -1.941 1.00 2.96 C ATOM 108 CE2 TYR A 10 -10.881 15.192 -3.999 1.00 2.78 C ATOM 109 CZ TYR A 10 -11.458 15.566 -2.808 1.00 3.18 C ATOM 110 OH TYR A 10 -11.551 16.899 -2.474 1.00 4.20 O ATOM 0 H TYR A 10 -8.812 12.213 -4.049 1.00 0.38 H new ATOM 0 HA TYR A 10 -10.207 10.513 -2.150 1.00 0.41 H new ATOM 0 HB2 TYR A 10 -11.119 11.310 -4.920 1.00 0.49 H new ATOM 0 HB3 TYR A 10 -12.101 10.900 -3.527 1.00 0.49 H new ATOM 0 HD1 TYR A 10 -12.246 12.527 -1.597 1.00 2.02 H new ATOM 0 HD2 TYR A 10 -10.339 13.563 -5.264 1.00 1.90 H new ATOM 0 HE1 TYR A 10 -12.408 14.906 -1.008 1.00 2.96 H new ATOM 0 HE2 TYR A 10 -10.497 15.942 -4.675 1.00 2.78 H new ATOM 0 HH TYR A 10 -11.157 17.443 -3.187 1.00 4.20 H new ATOM 120 N TRP A 11 -10.246 8.286 -3.276 1.00 0.47 N ATOM 121 CA TRP A 11 -10.081 6.945 -3.823 1.00 0.49 C ATOM 122 C TRP A 11 -10.746 6.822 -5.189 1.00 0.42 C ATOM 123 O TRP A 11 -11.919 7.158 -5.353 1.00 0.45 O ATOM 124 CB TRP A 11 -10.665 5.905 -2.866 1.00 0.60 C ATOM 125 CG TRP A 11 -10.263 6.114 -1.439 1.00 0.83 C ATOM 126 CD1 TRP A 11 -8.992 6.225 -0.951 1.00 1.71 C ATOM 127 CD2 TRP A 11 -11.138 6.236 -0.312 1.00 1.65 C ATOM 128 NE1 TRP A 11 -9.024 6.409 0.410 1.00 2.26 N ATOM 129 CE2 TRP A 11 -10.331 6.420 0.825 1.00 2.17 C ATOM 130 CE3 TRP A 11 -12.527 6.208 -0.156 1.00 2.60 C ATOM 131 CZ2 TRP A 11 -10.867 6.573 2.102 1.00 3.03 C ATOM 132 CZ3 TRP A 11 -13.058 6.362 1.110 1.00 3.54 C ATOM 133 CH2 TRP A 11 -12.231 6.543 2.225 1.00 3.60 C ATOM 0 H TRP A 11 -10.769 8.322 -2.401 1.00 0.47 H new ATOM 0 HA TRP A 11 -9.013 6.762 -3.943 1.00 0.49 H new ATOM 0 HB2 TRP A 11 -11.752 5.929 -2.936 1.00 0.60 H new ATOM 0 HB3 TRP A 11 -10.347 4.912 -3.183 1.00 0.60 H new ATOM 0 HD1 TRP A 11 -8.093 6.175 -1.548 1.00 1.71 H new ATOM 0 HE1 TRP A 11 -8.209 6.519 1.013 1.00 2.26 H new ATOM 0 HE3 TRP A 11 -13.173 6.068 -1.010 1.00 2.60 H new ATOM 0 HZ2 TRP A 11 -10.230 6.710 2.963 1.00 3.03 H new ATOM 0 HZ3 TRP A 11 -14.130 6.342 1.242 1.00 3.54 H new ATOM 0 HH2 TRP A 11 -12.677 6.661 3.201 1.00 3.60 H new ATOM 144 N THR A 12 -9.989 6.329 -6.163 1.00 0.45 N ATOM 145 CA THR A 12 -10.502 6.151 -7.515 1.00 0.50 C ATOM 146 C THR A 12 -10.859 4.691 -7.771 1.00 0.55 C ATOM 147 O THR A 12 -11.968 4.377 -8.200 1.00 0.64 O ATOM 148 CB THR A 12 -9.479 6.608 -8.570 1.00 0.61 C ATOM 149 OG1 THR A 12 -8.965 7.901 -8.229 1.00 1.28 O ATOM 150 CG2 THR A 12 -10.114 6.656 -9.951 1.00 1.23 C ATOM 0 H THR A 12 -9.017 6.045 -6.041 1.00 0.45 H new ATOM 0 HA THR A 12 -11.397 6.767 -7.600 1.00 0.50 H new ATOM 0 HB THR A 12 -8.661 5.888 -8.587 1.00 0.61 H new ATOM 0 HG1 THR A 12 -8.314 8.183 -8.905 1.00 1.28 H new ATOM 0 HG21 THR A 12 -9.373 6.982 -10.681 1.00 1.23 H new ATOM 0 HG22 THR A 12 -10.476 5.664 -10.220 1.00 1.23 H new ATOM 0 HG23 THR A 12 -10.948 7.357 -9.944 1.00 1.23 H new ATOM 158 N ASN A 13 -9.912 3.803 -7.488 1.00 0.56 N ATOM 159 CA ASN A 13 -10.124 2.371 -7.672 1.00 0.66 C ATOM 160 C ASN A 13 -10.392 1.688 -6.335 1.00 0.63 C ATOM 161 O ASN A 13 -9.707 1.950 -5.346 1.00 0.58 O ATOM 162 CB ASN A 13 -8.911 1.735 -8.351 1.00 0.73 C ATOM 163 CG ASN A 13 -8.489 2.487 -9.597 1.00 1.35 C ATOM 164 OD1 ASN A 13 -7.322 2.848 -9.755 1.00 2.05 O ATOM 165 ND2 ASN A 13 -9.442 2.728 -10.492 1.00 1.96 N ATOM 0 H ASN A 13 -8.989 4.049 -7.130 1.00 0.56 H new ATOM 0 HA ASN A 13 -10.997 2.237 -8.311 1.00 0.66 H new ATOM 0 HB2 ASN A 13 -8.078 1.705 -7.648 1.00 0.73 H new ATOM 0 HB3 ASN A 13 -9.144 0.703 -8.614 1.00 0.73 H new ATOM 0 HD21 ASN A 13 -9.219 3.231 -11.351 1.00 1.96 H new ATOM 0 HD22 ASN A 13 -10.396 2.410 -10.320 1.00 1.96 H new ATOM 172 N THR A 14 -11.388 0.809 -6.308 1.00 0.74 N ATOM 173 CA THR A 14 -11.732 0.088 -5.088 1.00 0.78 C ATOM 174 C THR A 14 -10.669 -0.957 -4.757 1.00 0.76 C ATOM 175 O THR A 14 -10.335 -1.800 -5.590 1.00 0.78 O ATOM 176 CB THR A 14 -13.103 -0.607 -5.214 1.00 0.92 C ATOM 177 OG1 THR A 14 -13.614 -0.447 -6.542 1.00 1.06 O ATOM 178 CG2 THR A 14 -14.095 -0.029 -4.213 1.00 1.15 C ATOM 0 H THR A 14 -11.969 0.579 -7.114 1.00 0.74 H new ATOM 0 HA THR A 14 -11.781 0.822 -4.284 1.00 0.78 H new ATOM 0 HB THR A 14 -12.969 -1.668 -5.002 1.00 0.92 H new ATOM 0 HG1 THR A 14 -14.484 -0.893 -6.614 1.00 1.06 H new ATOM 0 HG21 THR A 14 -15.055 -0.534 -4.319 1.00 1.15 H new ATOM 0 HG22 THR A 14 -13.718 -0.176 -3.201 1.00 1.15 H new ATOM 0 HG23 THR A 14 -14.223 1.037 -4.401 1.00 1.15 H new ATOM 186 N GLU A 15 -10.169 -0.927 -3.525 1.00 0.76 N ATOM 187 CA GLU A 15 -9.170 -1.893 -3.092 1.00 0.77 C ATOM 188 C GLU A 15 -9.824 -3.239 -2.785 1.00 0.82 C ATOM 189 O GLU A 15 -9.141 -4.253 -2.644 1.00 0.82 O ATOM 190 CB GLU A 15 -8.433 -1.375 -1.855 1.00 0.79 C ATOM 191 CG GLU A 15 -8.217 0.129 -1.861 1.00 1.35 C ATOM 192 CD GLU A 15 -7.603 0.625 -3.155 1.00 1.75 C ATOM 193 OE1 GLU A 15 -6.826 -0.131 -3.772 1.00 2.50 O ATOM 194 OE2 GLU A 15 -7.905 1.770 -3.555 1.00 2.06 O ATOM 0 H GLU A 15 -10.439 -0.247 -2.814 1.00 0.76 H new ATOM 0 HA GLU A 15 -8.452 -2.030 -3.900 1.00 0.77 H new ATOM 0 HB2 GLU A 15 -8.998 -1.649 -0.964 1.00 0.79 H new ATOM 0 HB3 GLU A 15 -7.466 -1.872 -1.784 1.00 0.79 H new ATOM 0 HG2 GLU A 15 -9.172 0.630 -1.701 1.00 1.35 H new ATOM 0 HG3 GLU A 15 -7.570 0.403 -1.028 1.00 1.35 H new ATOM 201 N LYS A 16 -11.154 -3.246 -2.705 1.00 0.88 N ATOM 202 CA LYS A 16 -11.888 -4.471 -2.441 1.00 0.95 C ATOM 203 C LYS A 16 -11.850 -5.391 -3.661 1.00 0.98 C ATOM 204 O LYS A 16 -12.228 -6.559 -3.573 1.00 1.01 O ATOM 205 CB LYS A 16 -13.336 -4.153 -2.065 1.00 1.04 C ATOM 206 CG LYS A 16 -14.187 -5.389 -1.821 1.00 1.44 C ATOM 207 CD LYS A 16 -14.912 -5.314 -0.486 1.00 1.61 C ATOM 208 CE LYS A 16 -16.418 -5.423 -0.664 1.00 2.37 C ATOM 209 NZ LYS A 16 -17.154 -5.037 0.573 1.00 2.83 N ATOM 0 H LYS A 16 -11.738 -2.418 -2.820 1.00 0.88 H new ATOM 0 HA LYS A 16 -11.413 -4.983 -1.604 1.00 0.95 H new ATOM 0 HB2 LYS A 16 -13.342 -3.535 -1.167 1.00 1.04 H new ATOM 0 HB3 LYS A 16 -13.788 -3.562 -2.862 1.00 1.04 H new ATOM 0 HG2 LYS A 16 -14.915 -5.495 -2.626 1.00 1.44 H new ATOM 0 HG3 LYS A 16 -13.555 -6.277 -1.843 1.00 1.44 H new ATOM 0 HD2 LYS A 16 -14.562 -6.115 0.165 1.00 1.61 H new ATOM 0 HD3 LYS A 16 -14.670 -4.373 0.009 1.00 1.61 H new ATOM 0 HE2 LYS A 16 -16.733 -4.783 -1.488 1.00 2.37 H new ATOM 0 HE3 LYS A 16 -16.678 -6.446 -0.937 1.00 2.37 H new ATOM 0 HZ1 LYS A 16 -18.177 -5.125 0.410 1.00 2.83 H new ATOM 0 HZ2 LYS A 16 -16.873 -5.663 1.354 1.00 2.83 H new ATOM 0 HZ3 LYS A 16 -16.926 -4.053 0.820 1.00 2.83 H new ATOM 223 N MET A 17 -11.395 -4.864 -4.801 1.00 0.98 N ATOM 224 CA MET A 17 -11.321 -5.658 -6.018 1.00 1.04 C ATOM 225 C MET A 17 -9.898 -6.153 -6.290 1.00 1.03 C ATOM 226 O MET A 17 -9.635 -6.734 -7.342 1.00 1.17 O ATOM 227 CB MET A 17 -11.824 -4.845 -7.213 1.00 1.21 C ATOM 228 CG MET A 17 -13.328 -4.638 -7.217 1.00 1.44 C ATOM 229 SD MET A 17 -14.239 -6.180 -7.429 1.00 1.83 S ATOM 230 CE MET A 17 -15.693 -5.596 -8.298 1.00 2.16 C ATOM 0 H MET A 17 -11.077 -3.900 -4.901 1.00 0.98 H new ATOM 0 HA MET A 17 -11.958 -6.531 -5.877 1.00 1.04 H new ATOM 0 HB2 MET A 17 -11.332 -3.872 -7.213 1.00 1.21 H new ATOM 0 HB3 MET A 17 -11.533 -5.350 -8.134 1.00 1.21 H new ATOM 0 HG2 MET A 17 -13.629 -4.168 -6.281 1.00 1.44 H new ATOM 0 HG3 MET A 17 -13.594 -3.950 -8.019 1.00 1.44 H new ATOM 0 HE1 MET A 17 -16.357 -6.436 -8.502 1.00 2.16 H new ATOM 0 HE2 MET A 17 -16.214 -4.862 -7.683 1.00 2.16 H new ATOM 0 HE3 MET A 17 -15.394 -5.134 -9.239 1.00 2.16 H new ATOM 240 N GLU A 18 -8.979 -5.932 -5.346 1.00 0.95 N ATOM 241 CA GLU A 18 -7.597 -6.376 -5.522 1.00 1.06 C ATOM 242 C GLU A 18 -6.690 -5.906 -4.385 1.00 0.96 C ATOM 243 O GLU A 18 -5.562 -5.474 -4.626 1.00 1.57 O ATOM 244 CB GLU A 18 -7.048 -5.870 -6.858 1.00 1.43 C ATOM 245 CG GLU A 18 -7.312 -4.394 -7.104 1.00 1.29 C ATOM 246 CD GLU A 18 -7.321 -4.040 -8.579 1.00 2.13 C ATOM 247 OE1 GLU A 18 -7.229 -4.967 -9.412 1.00 2.88 O ATOM 248 OE2 GLU A 18 -7.419 -2.837 -8.901 1.00 2.56 O ATOM 0 H GLU A 18 -9.165 -5.455 -4.464 1.00 0.95 H new ATOM 0 HA GLU A 18 -7.605 -7.466 -5.512 1.00 1.06 H new ATOM 0 HB2 GLU A 18 -5.973 -6.049 -6.891 1.00 1.43 H new ATOM 0 HB3 GLU A 18 -7.492 -6.450 -7.667 1.00 1.43 H new ATOM 0 HG2 GLU A 18 -8.271 -4.122 -6.663 1.00 1.29 H new ATOM 0 HG3 GLU A 18 -6.549 -3.803 -6.597 1.00 1.29 H new ATOM 255 N LYS A 19 -7.169 -5.997 -3.147 1.00 0.84 N ATOM 256 CA LYS A 19 -6.373 -5.585 -1.993 1.00 1.08 C ATOM 257 C LYS A 19 -6.608 -6.515 -0.805 1.00 0.87 C ATOM 258 O LYS A 19 -5.660 -6.946 -0.147 1.00 0.87 O ATOM 259 CB LYS A 19 -6.690 -4.143 -1.603 1.00 1.66 C ATOM 260 CG LYS A 19 -5.600 -3.489 -0.772 1.00 2.57 C ATOM 261 CD LYS A 19 -4.349 -3.224 -1.594 1.00 2.87 C ATOM 262 CE LYS A 19 -3.207 -2.737 -0.714 1.00 3.55 C ATOM 263 NZ LYS A 19 -3.459 -1.366 -0.192 1.00 4.14 N ATOM 0 H LYS A 19 -8.098 -6.350 -2.917 1.00 0.84 H new ATOM 0 HA LYS A 19 -5.322 -5.647 -2.276 1.00 1.08 H new ATOM 0 HB2 LYS A 19 -6.848 -3.556 -2.508 1.00 1.66 H new ATOM 0 HB3 LYS A 19 -7.625 -4.123 -1.043 1.00 1.66 H new ATOM 0 HG2 LYS A 19 -5.970 -2.550 -0.360 1.00 2.57 H new ATOM 0 HG3 LYS A 19 -5.351 -4.132 0.073 1.00 2.57 H new ATOM 0 HD2 LYS A 19 -4.050 -4.136 -2.111 1.00 2.87 H new ATOM 0 HD3 LYS A 19 -4.565 -2.479 -2.360 1.00 2.87 H new ATOM 0 HE2 LYS A 19 -3.072 -3.425 0.121 1.00 3.55 H new ATOM 0 HE3 LYS A 19 -2.279 -2.744 -1.286 1.00 3.55 H new ATOM 0 HZ1 LYS A 19 -2.578 -0.976 0.198 1.00 4.14 H new ATOM 0 HZ2 LYS A 19 -3.795 -0.757 -0.965 1.00 4.14 H new ATOM 0 HZ3 LYS A 19 -4.181 -1.406 0.556 1.00 4.14 H new ATOM 277 N ARG A 20 -7.873 -6.831 -0.543 1.00 0.98 N ATOM 278 CA ARG A 20 -8.228 -7.726 0.558 1.00 0.92 C ATOM 279 C ARG A 20 -8.346 -9.159 0.055 1.00 0.94 C ATOM 280 O ARG A 20 -9.263 -9.890 0.429 1.00 1.30 O ATOM 281 CB ARG A 20 -9.550 -7.286 1.194 1.00 0.95 C ATOM 282 CG ARG A 20 -10.756 -7.495 0.294 1.00 1.64 C ATOM 283 CD ARG A 20 -11.756 -8.450 0.922 1.00 2.15 C ATOM 284 NE ARG A 20 -12.949 -7.755 1.402 1.00 2.67 N ATOM 285 CZ ARG A 20 -13.884 -8.330 2.150 1.00 3.29 C ATOM 286 NH1 ARG A 20 -13.766 -9.605 2.500 1.00 3.51 N ATOM 287 NH2 ARG A 20 -14.937 -7.633 2.549 1.00 4.11 N ATOM 0 H ARG A 20 -8.669 -6.482 -1.076 1.00 0.98 H new ATOM 0 HA ARG A 20 -7.441 -7.679 1.311 1.00 0.92 H new ATOM 0 HB2 ARG A 20 -9.699 -7.839 2.122 1.00 0.95 H new ATOM 0 HB3 ARG A 20 -9.483 -6.231 1.459 1.00 0.95 H new ATOM 0 HG2 ARG A 20 -11.238 -6.537 0.100 1.00 1.64 H new ATOM 0 HG3 ARG A 20 -10.430 -7.888 -0.669 1.00 1.64 H new ATOM 0 HD2 ARG A 20 -12.046 -9.205 0.191 1.00 2.15 H new ATOM 0 HD3 ARG A 20 -11.284 -8.975 1.752 1.00 2.15 H new ATOM 0 HE ARG A 20 -13.070 -6.774 1.149 1.00 2.67 H new ATOM 0 HH11 ARG A 20 -12.956 -10.145 2.195 1.00 3.51 H new ATOM 0 HH12 ARG A 20 -14.485 -10.045 3.074 1.00 3.51 H new ATOM 0 HH21 ARG A 20 -15.031 -6.653 2.282 1.00 4.11 H new ATOM 0 HH22 ARG A 20 -15.654 -8.076 3.123 1.00 4.11 H new ATOM 301 N LEU A 21 -7.427 -9.539 -0.824 1.00 1.59 N ATOM 302 CA LEU A 21 -7.443 -10.867 -1.413 1.00 1.80 C ATOM 303 C LEU A 21 -6.679 -11.892 -0.577 1.00 1.48 C ATOM 304 O LEU A 21 -5.474 -12.079 -0.748 1.00 2.41 O ATOM 305 CB LEU A 21 -6.858 -10.821 -2.826 1.00 3.05 C ATOM 306 CG LEU A 21 -7.874 -10.579 -3.944 1.00 3.76 C ATOM 307 CD1 LEU A 21 -8.815 -11.768 -4.079 1.00 4.55 C ATOM 308 CD2 LEU A 21 -8.662 -9.303 -3.680 1.00 4.31 C ATOM 0 H LEU A 21 -6.662 -8.944 -1.143 1.00 1.59 H new ATOM 0 HA LEU A 21 -8.485 -11.185 -1.447 1.00 1.80 H new ATOM 0 HB2 LEU A 21 -6.105 -10.034 -2.865 1.00 3.05 H new ATOM 0 HB3 LEU A 21 -6.345 -11.763 -3.021 1.00 3.05 H new ATOM 0 HG LEU A 21 -7.331 -10.462 -4.882 1.00 3.76 H new ATOM 0 HD11 LEU A 21 -9.530 -11.577 -4.879 1.00 4.55 H new ATOM 0 HD12 LEU A 21 -8.239 -12.663 -4.313 1.00 4.55 H new ATOM 0 HD13 LEU A 21 -9.351 -11.916 -3.141 1.00 4.55 H new ATOM 0 HD21 LEU A 21 -9.380 -9.146 -4.485 1.00 4.31 H new ATOM 0 HD22 LEU A 21 -9.193 -9.393 -2.732 1.00 4.31 H new ATOM 0 HD23 LEU A 21 -7.978 -8.456 -3.634 1.00 4.31 H new ATOM 320 N HIS A 22 -7.402 -12.584 0.301 1.00 0.87 N ATOM 321 CA HIS A 22 -6.817 -13.624 1.140 1.00 1.59 C ATOM 322 C HIS A 22 -5.966 -14.575 0.295 1.00 1.16 C ATOM 323 O HIS A 22 -5.018 -15.181 0.786 1.00 1.19 O ATOM 324 CB HIS A 22 -7.923 -14.410 1.848 1.00 2.66 C ATOM 325 CG HIS A 22 -8.735 -15.263 0.922 1.00 3.21 C ATOM 326 ND1 HIS A 22 -9.175 -16.526 1.254 1.00 4.07 N ATOM 327 CD2 HIS A 22 -9.183 -15.026 -0.333 1.00 3.32 C ATOM 328 CE1 HIS A 22 -9.860 -17.032 0.242 1.00 4.62 C ATOM 329 NE2 HIS A 22 -9.881 -16.142 -0.732 1.00 4.23 N ATOM 0 H HIS A 22 -8.401 -12.441 0.449 1.00 0.87 H new ATOM 0 HA HIS A 22 -6.179 -13.150 1.886 1.00 1.59 H new ATOM 0 HB2 HIS A 22 -7.475 -15.043 2.614 1.00 2.66 H new ATOM 0 HB3 HIS A 22 -8.585 -13.711 2.360 1.00 2.66 H new ATOM 0 HD2 HIS A 22 -9.023 -14.129 -0.912 1.00 3.32 H new ATOM 0 HE1 HIS A 22 -10.323 -18.007 0.217 1.00 4.62 H new ATOM 0 HE2 HIS A 22 -10.340 -16.262 -1.635 1.00 4.23 H new ATOM 338 N ALA A 23 -6.289 -14.682 -0.984 1.00 1.06 N ATOM 339 CA ALA A 23 -5.525 -15.540 -1.881 1.00 0.93 C ATOM 340 C ALA A 23 -4.238 -14.838 -2.304 1.00 0.84 C ATOM 341 O ALA A 23 -4.270 -13.870 -3.062 1.00 0.97 O ATOM 342 CB ALA A 23 -6.356 -15.916 -3.099 1.00 1.21 C ATOM 0 H ALA A 23 -7.068 -14.191 -1.423 1.00 1.06 H new ATOM 0 HA ALA A 23 -5.266 -16.457 -1.352 1.00 0.93 H new ATOM 0 HB1 ALA A 23 -5.768 -16.557 -3.757 1.00 1.21 H new ATOM 0 HB2 ALA A 23 -7.251 -16.449 -2.778 1.00 1.21 H new ATOM 0 HB3 ALA A 23 -6.644 -15.012 -3.636 1.00 1.21 H new ATOM 348 N VAL A 24 -3.105 -15.321 -1.796 1.00 0.78 N ATOM 349 CA VAL A 24 -1.812 -14.720 -2.111 1.00 0.74 C ATOM 350 C VAL A 24 -0.770 -15.781 -2.466 1.00 0.68 C ATOM 351 O VAL A 24 -0.693 -16.826 -1.822 1.00 0.77 O ATOM 352 CB VAL A 24 -1.285 -13.888 -0.923 1.00 0.81 C ATOM 353 CG1 VAL A 24 -0.025 -13.131 -1.311 1.00 1.32 C ATOM 354 CG2 VAL A 24 -2.354 -12.928 -0.419 1.00 1.30 C ATOM 0 H VAL A 24 -3.057 -16.123 -1.168 1.00 0.78 H new ATOM 0 HA VAL A 24 -1.969 -14.072 -2.973 1.00 0.74 H new ATOM 0 HB VAL A 24 -1.035 -14.575 -0.114 1.00 0.81 H new ATOM 0 HG11 VAL A 24 0.328 -12.552 -0.458 1.00 1.32 H new ATOM 0 HG12 VAL A 24 0.746 -13.839 -1.613 1.00 1.32 H new ATOM 0 HG13 VAL A 24 -0.245 -12.459 -2.140 1.00 1.32 H new ATOM 0 HG21 VAL A 24 -1.960 -12.352 0.418 1.00 1.30 H new ATOM 0 HG22 VAL A 24 -2.642 -12.250 -1.222 1.00 1.30 H new ATOM 0 HG23 VAL A 24 -3.226 -13.494 -0.092 1.00 1.30 H new ATOM 364 N PRO A 25 0.055 -15.519 -3.497 1.00 0.61 N ATOM 365 CA PRO A 25 1.098 -16.453 -3.929 1.00 0.63 C ATOM 366 C PRO A 25 2.330 -16.394 -3.031 1.00 0.57 C ATOM 367 O PRO A 25 2.886 -15.322 -2.793 1.00 0.52 O ATOM 368 CB PRO A 25 1.439 -15.960 -5.333 1.00 0.72 C ATOM 369 CG PRO A 25 1.183 -14.494 -5.286 1.00 0.71 C ATOM 370 CD PRO A 25 0.040 -14.294 -4.321 1.00 0.65 C ATOM 0 HA PRO A 25 0.767 -17.491 -3.891 1.00 0.63 H new ATOM 0 HB2 PRO A 25 2.477 -16.174 -5.587 1.00 0.72 H new ATOM 0 HB3 PRO A 25 0.820 -16.447 -6.086 1.00 0.72 H new ATOM 0 HG2 PRO A 25 2.070 -13.955 -4.955 1.00 0.71 H new ATOM 0 HG3 PRO A 25 0.929 -14.112 -6.275 1.00 0.71 H new ATOM 0 HD2 PRO A 25 0.182 -13.401 -3.712 1.00 0.65 H new ATOM 0 HD3 PRO A 25 -0.909 -14.176 -4.844 1.00 0.65 H new ATOM 378 N ALA A 26 2.751 -17.551 -2.532 1.00 0.61 N ATOM 379 CA ALA A 26 3.916 -17.627 -1.659 1.00 0.60 C ATOM 380 C ALA A 26 5.215 -17.475 -2.445 1.00 0.54 C ATOM 381 O ALA A 26 5.315 -17.922 -3.590 1.00 0.58 O ATOM 382 CB ALA A 26 3.914 -18.937 -0.887 1.00 0.71 C ATOM 0 H ALA A 26 2.303 -18.448 -2.717 1.00 0.61 H new ATOM 0 HA ALA A 26 3.857 -16.799 -0.952 1.00 0.60 H new ATOM 0 HB1 ALA A 26 4.790 -18.979 -0.240 1.00 0.71 H new ATOM 0 HB2 ALA A 26 3.011 -19.000 -0.280 1.00 0.71 H new ATOM 0 HB3 ALA A 26 3.940 -19.772 -1.587 1.00 0.71 H new ATOM 388 N ALA A 27 6.207 -16.846 -1.822 1.00 0.50 N ATOM 389 CA ALA A 27 7.505 -16.636 -2.456 1.00 0.48 C ATOM 390 C ALA A 27 7.374 -15.800 -3.726 1.00 0.43 C ATOM 391 O ALA A 27 8.227 -15.859 -4.611 1.00 0.46 O ATOM 392 CB ALA A 27 8.166 -17.971 -2.765 1.00 0.55 C ATOM 0 H ALA A 27 6.137 -16.472 -0.876 1.00 0.50 H new ATOM 0 HA ALA A 27 8.134 -16.085 -1.757 1.00 0.48 H new ATOM 0 HB1 ALA A 27 9.133 -17.798 -3.237 1.00 0.55 H new ATOM 0 HB2 ALA A 27 8.309 -18.529 -1.840 1.00 0.55 H new ATOM 0 HB3 ALA A 27 7.530 -18.544 -3.440 1.00 0.55 H new ATOM 398 N ASN A 28 6.301 -15.024 -3.806 1.00 0.39 N ATOM 399 CA ASN A 28 6.051 -14.172 -4.963 1.00 0.36 C ATOM 400 C ASN A 28 5.961 -12.712 -4.533 1.00 0.30 C ATOM 401 O ASN A 28 5.889 -12.413 -3.341 1.00 0.29 O ATOM 402 CB ASN A 28 4.760 -14.593 -5.669 1.00 0.40 C ATOM 403 CG ASN A 28 4.990 -14.954 -7.123 1.00 0.77 C ATOM 404 OD1 ASN A 28 5.668 -15.934 -7.432 1.00 1.42 O ATOM 405 ND2 ASN A 28 4.422 -14.163 -8.027 1.00 1.36 N ATOM 0 H ASN A 28 5.587 -14.967 -3.080 1.00 0.39 H new ATOM 0 HA ASN A 28 6.881 -14.284 -5.660 1.00 0.36 H new ATOM 0 HB2 ASN A 28 4.326 -15.447 -5.149 1.00 0.40 H new ATOM 0 HB3 ASN A 28 4.035 -13.782 -5.609 1.00 0.40 H new ATOM 0 HD21 ASN A 28 4.540 -14.358 -9.021 1.00 1.36 H new ATOM 0 HD22 ASN A 28 3.868 -13.361 -7.727 1.00 1.36 H new ATOM 412 N THR A 29 5.966 -11.804 -5.502 1.00 0.30 N ATOM 413 CA THR A 29 5.887 -10.382 -5.196 1.00 0.28 C ATOM 414 C THR A 29 4.450 -9.986 -4.885 1.00 0.30 C ATOM 415 O THR A 29 3.508 -10.541 -5.450 1.00 0.33 O ATOM 416 CB THR A 29 6.414 -9.516 -6.354 1.00 0.32 C ATOM 417 OG1 THR A 29 5.403 -9.375 -7.360 1.00 0.96 O ATOM 418 CG2 THR A 29 7.663 -10.132 -6.965 1.00 0.92 C ATOM 0 H THR A 29 6.023 -12.024 -6.496 1.00 0.30 H new ATOM 0 HA THR A 29 6.516 -10.206 -4.324 1.00 0.28 H new ATOM 0 HB THR A 29 6.670 -8.534 -5.957 1.00 0.32 H new ATOM 0 HG1 THR A 29 5.827 -9.270 -8.237 1.00 0.96 H new ATOM 0 HG21 THR A 29 8.017 -9.502 -7.781 1.00 0.92 H new ATOM 0 HG22 THR A 29 8.440 -10.211 -6.204 1.00 0.92 H new ATOM 0 HG23 THR A 29 7.429 -11.125 -7.348 1.00 0.92 H new ATOM 426 N VAL A 30 4.287 -9.045 -3.962 1.00 0.33 N ATOM 427 CA VAL A 30 2.961 -8.606 -3.554 1.00 0.39 C ATOM 428 C VAL A 30 2.582 -7.248 -4.135 1.00 0.35 C ATOM 429 O VAL A 30 3.338 -6.280 -4.049 1.00 0.35 O ATOM 430 CB VAL A 30 2.843 -8.539 -2.022 1.00 0.47 C ATOM 431 CG1 VAL A 30 1.396 -8.333 -1.609 1.00 0.56 C ATOM 432 CG2 VAL A 30 3.413 -9.799 -1.388 1.00 0.57 C ATOM 0 H VAL A 30 5.055 -8.574 -3.484 1.00 0.33 H new ATOM 0 HA VAL A 30 2.270 -9.351 -3.948 1.00 0.39 H new ATOM 0 HB VAL A 30 3.423 -7.687 -1.666 1.00 0.47 H new ATOM 0 HG11 VAL A 30 1.331 -8.288 -0.522 1.00 0.56 H new ATOM 0 HG12 VAL A 30 1.026 -7.400 -2.034 1.00 0.56 H new ATOM 0 HG13 VAL A 30 0.792 -9.163 -1.975 1.00 0.56 H new ATOM 0 HG21 VAL A 30 3.321 -9.734 -0.304 1.00 0.57 H new ATOM 0 HG22 VAL A 30 2.862 -10.668 -1.748 1.00 0.57 H new ATOM 0 HG23 VAL A 30 4.464 -9.898 -1.658 1.00 0.57 H new ATOM 442 N LYS A 31 1.386 -7.199 -4.710 1.00 0.34 N ATOM 443 CA LYS A 31 0.865 -5.971 -5.297 1.00 0.33 C ATOM 444 C LYS A 31 0.082 -5.178 -4.260 1.00 0.33 C ATOM 445 O LYS A 31 -0.930 -5.648 -3.740 1.00 0.38 O ATOM 446 CB LYS A 31 -0.029 -6.275 -6.509 1.00 0.38 C ATOM 447 CG LYS A 31 -0.801 -5.076 -7.037 1.00 0.60 C ATOM 448 CD LYS A 31 -2.163 -5.479 -7.580 1.00 0.82 C ATOM 449 CE LYS A 31 -3.041 -6.082 -6.494 1.00 1.34 C ATOM 450 NZ LYS A 31 -3.676 -7.354 -6.936 1.00 1.98 N ATOM 0 H LYS A 31 0.757 -7.999 -4.782 1.00 0.34 H new ATOM 0 HA LYS A 31 1.712 -5.375 -5.636 1.00 0.33 H new ATOM 0 HB2 LYS A 31 0.591 -6.674 -7.311 1.00 0.38 H new ATOM 0 HB3 LYS A 31 -0.738 -7.056 -6.235 1.00 0.38 H new ATOM 0 HG2 LYS A 31 -0.929 -4.345 -6.238 1.00 0.60 H new ATOM 0 HG3 LYS A 31 -0.225 -4.590 -7.824 1.00 0.60 H new ATOM 0 HD2 LYS A 31 -2.658 -4.607 -8.007 1.00 0.82 H new ATOM 0 HD3 LYS A 31 -2.035 -6.200 -8.388 1.00 0.82 H new ATOM 0 HE2 LYS A 31 -2.441 -6.266 -5.603 1.00 1.34 H new ATOM 0 HE3 LYS A 31 -3.815 -5.368 -6.215 1.00 1.34 H new ATOM 0 HZ1 LYS A 31 -4.266 -7.733 -6.168 1.00 1.98 H new ATOM 0 HZ2 LYS A 31 -4.269 -7.174 -7.771 1.00 1.98 H new ATOM 0 HZ3 LYS A 31 -2.937 -8.045 -7.178 1.00 1.98 H new ATOM 464 N PHE A 32 0.538 -3.963 -3.983 1.00 0.31 N ATOM 465 CA PHE A 32 -0.144 -3.101 -3.031 1.00 0.35 C ATOM 466 C PHE A 32 -0.792 -1.941 -3.776 1.00 0.32 C ATOM 467 O PHE A 32 -0.110 -1.155 -4.433 1.00 0.32 O ATOM 468 CB PHE A 32 0.843 -2.573 -1.989 1.00 0.44 C ATOM 469 CG PHE A 32 0.314 -2.601 -0.584 1.00 0.90 C ATOM 470 CD1 PHE A 32 0.483 -3.722 0.211 1.00 1.21 C ATOM 471 CD2 PHE A 32 -0.353 -1.505 -0.059 1.00 1.64 C ATOM 472 CE1 PHE A 32 -0.004 -3.752 1.504 1.00 1.91 C ATOM 473 CE2 PHE A 32 -0.843 -1.530 1.233 1.00 2.28 C ATOM 474 CZ PHE A 32 -0.662 -2.648 2.018 1.00 2.35 C ATOM 0 H PHE A 32 1.373 -3.555 -4.403 1.00 0.31 H new ATOM 0 HA PHE A 32 -0.913 -3.675 -2.515 1.00 0.35 H new ATOM 0 HB2 PHE A 32 1.757 -3.165 -2.035 1.00 0.44 H new ATOM 0 HB3 PHE A 32 1.114 -1.549 -2.245 1.00 0.44 H new ATOM 0 HD1 PHE A 32 1.002 -4.583 -0.184 1.00 1.21 H new ATOM 0 HD2 PHE A 32 -0.491 -0.622 -0.666 1.00 1.64 H new ATOM 0 HE1 PHE A 32 0.129 -4.635 2.112 1.00 1.91 H new ATOM 0 HE2 PHE A 32 -1.368 -0.673 1.628 1.00 2.28 H new ATOM 0 HZ PHE A 32 -1.033 -2.663 3.032 1.00 2.35 H new ATOM 484 N ARG A 33 -2.113 -1.858 -3.697 1.00 0.36 N ATOM 485 CA ARG A 33 -2.844 -0.812 -4.395 1.00 0.39 C ATOM 486 C ARG A 33 -3.548 0.139 -3.433 1.00 0.40 C ATOM 487 O ARG A 33 -4.229 -0.282 -2.496 1.00 0.43 O ATOM 488 CB ARG A 33 -3.848 -1.440 -5.362 1.00 0.47 C ATOM 489 CG ARG A 33 -3.272 -2.599 -6.160 1.00 0.80 C ATOM 490 CD ARG A 33 -2.241 -2.123 -7.173 1.00 0.53 C ATOM 491 NE ARG A 33 -2.752 -2.184 -8.541 1.00 1.09 N ATOM 492 CZ ARG A 33 -1.987 -2.349 -9.617 1.00 1.56 C ATOM 493 NH1 ARG A 33 -0.668 -2.448 -9.498 1.00 2.10 N ATOM 494 NH2 ARG A 33 -2.542 -2.410 -10.819 1.00 2.12 N ATOM 0 H ARG A 33 -2.697 -2.499 -3.160 1.00 0.36 H new ATOM 0 HA ARG A 33 -2.122 -0.218 -4.956 1.00 0.39 H new ATOM 0 HB2 ARG A 33 -4.713 -1.790 -4.799 1.00 0.47 H new ATOM 0 HB3 ARG A 33 -4.205 -0.675 -6.052 1.00 0.47 H new ATOM 0 HG2 ARG A 33 -2.811 -3.316 -5.481 1.00 0.80 H new ATOM 0 HG3 ARG A 33 -4.077 -3.121 -6.677 1.00 0.80 H new ATOM 0 HD2 ARG A 33 -1.949 -1.099 -6.940 1.00 0.53 H new ATOM 0 HD3 ARG A 33 -1.344 -2.736 -7.093 1.00 0.53 H new ATOM 0 HE ARG A 33 -3.759 -2.094 -8.680 1.00 1.09 H new ATOM 0 HH11 ARG A 33 -0.234 -2.398 -8.576 1.00 2.10 H new ATOM 0 HH12 ARG A 33 -0.089 -2.574 -10.328 1.00 2.10 H new ATOM 0 HH21 ARG A 33 -3.554 -2.330 -10.918 1.00 2.12 H new ATOM 0 HH22 ARG A 33 -1.957 -2.536 -11.645 1.00 2.12 H new ATOM 508 N CYS A 34 -3.377 1.427 -3.695 1.00 0.39 N ATOM 509 CA CYS A 34 -3.986 2.479 -2.887 1.00 0.41 C ATOM 510 C CYS A 34 -4.131 3.759 -3.711 1.00 0.41 C ATOM 511 O CYS A 34 -3.691 4.831 -3.295 1.00 0.47 O ATOM 512 CB CYS A 34 -3.149 2.738 -1.630 1.00 0.44 C ATOM 513 SG CYS A 34 -4.084 2.577 -0.072 1.00 0.94 S ATOM 0 H CYS A 34 -2.814 1.774 -4.472 1.00 0.39 H new ATOM 0 HA CYS A 34 -4.979 2.153 -2.576 1.00 0.41 H new ATOM 0 HB2 CYS A 34 -2.312 2.041 -1.613 1.00 0.44 H new ATOM 0 HB3 CYS A 34 -2.727 3.741 -1.687 1.00 0.44 H new ATOM 518 N PRO A 35 -4.737 3.654 -4.907 1.00 0.41 N ATOM 519 CA PRO A 35 -4.923 4.799 -5.805 1.00 0.44 C ATOM 520 C PRO A 35 -5.999 5.771 -5.334 1.00 0.34 C ATOM 521 O PRO A 35 -7.103 5.370 -4.971 1.00 0.34 O ATOM 522 CB PRO A 35 -5.337 4.148 -7.124 1.00 0.57 C ATOM 523 CG PRO A 35 -5.989 2.871 -6.725 1.00 0.54 C ATOM 524 CD PRO A 35 -5.273 2.406 -5.486 1.00 0.44 C ATOM 0 HA PRO A 35 -4.019 5.404 -5.867 1.00 0.44 H new ATOM 0 HB2 PRO A 35 -6.023 4.785 -7.682 1.00 0.57 H new ATOM 0 HB3 PRO A 35 -4.474 3.969 -7.766 1.00 0.57 H new ATOM 0 HG2 PRO A 35 -7.051 3.020 -6.529 1.00 0.54 H new ATOM 0 HG3 PRO A 35 -5.913 2.130 -7.520 1.00 0.54 H new ATOM 0 HD2 PRO A 35 -5.950 1.902 -4.796 1.00 0.44 H new ATOM 0 HD3 PRO A 35 -4.477 1.700 -5.724 1.00 0.44 H new ATOM 532 N ALA A 36 -5.660 7.056 -5.358 1.00 0.35 N ATOM 533 CA ALA A 36 -6.581 8.107 -4.952 1.00 0.33 C ATOM 534 C ALA A 36 -6.207 9.430 -5.610 1.00 0.32 C ATOM 535 O ALA A 36 -5.083 9.911 -5.459 1.00 0.38 O ATOM 536 CB ALA A 36 -6.593 8.246 -3.437 1.00 0.40 C ATOM 0 H ALA A 36 -4.746 7.395 -5.657 1.00 0.35 H new ATOM 0 HA ALA A 36 -7.584 7.834 -5.280 1.00 0.33 H new ATOM 0 HB1 ALA A 36 -7.287 9.036 -3.150 1.00 0.40 H new ATOM 0 HB2 ALA A 36 -6.909 7.305 -2.988 1.00 0.40 H new ATOM 0 HB3 ALA A 36 -5.592 8.497 -3.087 1.00 0.40 H new ATOM 542 N GLY A 37 -7.145 10.015 -6.350 1.00 0.33 N ATOM 543 CA GLY A 37 -6.875 11.273 -7.025 1.00 0.36 C ATOM 544 C GLY A 37 -6.809 12.451 -6.071 1.00 0.35 C ATOM 545 O GLY A 37 -7.735 12.684 -5.297 1.00 0.37 O ATOM 0 H GLY A 37 -8.084 9.642 -6.494 1.00 0.33 H new ATOM 0 HA2 GLY A 37 -5.931 11.195 -7.564 1.00 0.36 H new ATOM 0 HA3 GLY A 37 -7.652 11.456 -7.767 1.00 0.36 H new ATOM 549 N GLY A 38 -5.709 13.197 -6.142 1.00 0.36 N ATOM 550 CA GLY A 38 -5.518 14.359 -5.288 1.00 0.39 C ATOM 551 C GLY A 38 -4.314 15.174 -5.721 1.00 0.37 C ATOM 552 O GLY A 38 -3.955 15.165 -6.898 1.00 0.42 O ATOM 0 H GLY A 38 -4.938 13.014 -6.784 1.00 0.36 H new ATOM 0 HA2 GLY A 38 -6.411 14.984 -5.316 1.00 0.39 H new ATOM 0 HA3 GLY A 38 -5.388 14.036 -4.255 1.00 0.39 H new ATOM 556 N ASN A 39 -3.674 15.874 -4.785 1.00 0.40 N ATOM 557 CA ASN A 39 -2.498 16.673 -5.136 1.00 0.47 C ATOM 558 C ASN A 39 -1.263 15.786 -5.262 1.00 0.36 C ATOM 559 O ASN A 39 -1.299 14.606 -4.913 1.00 0.34 O ATOM 560 CB ASN A 39 -2.238 17.775 -4.108 1.00 0.70 C ATOM 561 CG ASN A 39 -2.686 19.139 -4.598 1.00 2.04 C ATOM 562 OD1 ASN A 39 -1.945 20.116 -4.512 1.00 2.41 O ATOM 563 ND2 ASN A 39 -3.906 19.208 -5.118 1.00 2.89 N ATOM 0 H ASN A 39 -3.940 15.906 -3.801 1.00 0.40 H new ATOM 0 HA ASN A 39 -2.703 17.144 -6.097 1.00 0.47 H new ATOM 0 HB2 ASN A 39 -2.760 17.535 -3.182 1.00 0.70 H new ATOM 0 HB3 ASN A 39 -1.174 17.807 -3.875 1.00 0.70 H new ATOM 0 HD21 ASN A 39 -4.262 20.098 -5.466 1.00 2.89 H new ATOM 0 HD22 ASN A 39 -4.487 18.371 -5.169 1.00 2.89 H new ATOM 570 N PRO A 40 -0.149 16.341 -5.771 1.00 0.39 N ATOM 571 CA PRO A 40 1.098 15.592 -5.952 1.00 0.39 C ATOM 572 C PRO A 40 1.897 15.415 -4.658 1.00 0.34 C ATOM 573 O PRO A 40 3.061 15.015 -4.698 1.00 0.40 O ATOM 574 CB PRO A 40 1.877 16.455 -6.941 1.00 0.51 C ATOM 575 CG PRO A 40 1.415 17.847 -6.673 1.00 0.52 C ATOM 576 CD PRO A 40 -0.021 17.739 -6.230 1.00 0.53 C ATOM 0 HA PRO A 40 0.906 14.574 -6.292 1.00 0.39 H new ATOM 0 HB2 PRO A 40 2.952 16.358 -6.790 1.00 0.51 H new ATOM 0 HB3 PRO A 40 1.672 16.161 -7.970 1.00 0.51 H new ATOM 0 HG2 PRO A 40 2.025 18.317 -5.902 1.00 0.52 H new ATOM 0 HG3 PRO A 40 1.500 18.464 -7.568 1.00 0.52 H new ATOM 0 HD2 PRO A 40 -0.246 18.444 -5.430 1.00 0.53 H new ATOM 0 HD3 PRO A 40 -0.708 17.955 -7.048 1.00 0.53 H new ATOM 584 N MET A 41 1.283 15.708 -3.512 1.00 0.31 N ATOM 585 CA MET A 41 1.965 15.566 -2.230 1.00 0.33 C ATOM 586 C MET A 41 1.204 14.636 -1.287 1.00 0.32 C ATOM 587 O MET A 41 0.579 15.090 -0.328 1.00 0.36 O ATOM 588 CB MET A 41 2.126 16.937 -1.570 1.00 0.39 C ATOM 589 CG MET A 41 3.298 17.024 -0.606 1.00 0.47 C ATOM 590 SD MET A 41 4.864 16.524 -1.349 1.00 1.30 S ATOM 591 CE MET A 41 5.669 18.113 -1.545 1.00 1.83 C ATOM 0 H MET A 41 0.322 16.043 -3.447 1.00 0.31 H new ATOM 0 HA MET A 41 2.944 15.128 -2.424 1.00 0.33 H new ATOM 0 HB2 MET A 41 2.251 17.691 -2.347 1.00 0.39 H new ATOM 0 HB3 MET A 41 1.209 17.181 -1.034 1.00 0.39 H new ATOM 0 HG2 MET A 41 3.386 18.048 -0.242 1.00 0.47 H new ATOM 0 HG3 MET A 41 3.096 16.394 0.260 1.00 0.47 H new ATOM 0 HE1 MET A 41 6.652 17.970 -1.994 1.00 1.83 H new ATOM 0 HE2 MET A 41 5.064 18.750 -2.190 1.00 1.83 H new ATOM 0 HE3 MET A 41 5.781 18.587 -0.570 1.00 1.83 H new ATOM 601 N PRO A 42 1.246 13.320 -1.541 1.00 0.32 N ATOM 602 CA PRO A 42 0.573 12.327 -0.728 1.00 0.34 C ATOM 603 C PRO A 42 1.537 11.602 0.208 1.00 0.35 C ATOM 604 O PRO A 42 2.514 11.005 -0.241 1.00 0.43 O ATOM 605 CB PRO A 42 0.068 11.368 -1.801 1.00 0.40 C ATOM 606 CG PRO A 42 1.106 11.424 -2.887 1.00 0.42 C ATOM 607 CD PRO A 42 1.939 12.667 -2.654 1.00 0.36 C ATOM 0 HA PRO A 42 -0.193 12.746 -0.075 1.00 0.34 H new ATOM 0 HB2 PRO A 42 -0.039 10.357 -1.409 1.00 0.40 H new ATOM 0 HB3 PRO A 42 -0.911 11.671 -2.173 1.00 0.40 H new ATOM 0 HG2 PRO A 42 1.733 10.532 -2.865 1.00 0.42 H new ATOM 0 HG3 PRO A 42 0.633 11.457 -3.869 1.00 0.42 H new ATOM 0 HD2 PRO A 42 2.970 12.421 -2.400 1.00 0.36 H new ATOM 0 HD3 PRO A 42 1.972 13.303 -3.539 1.00 0.36 H new ATOM 615 N THR A 43 1.259 11.644 1.505 1.00 0.32 N ATOM 616 CA THR A 43 2.110 10.974 2.483 1.00 0.35 C ATOM 617 C THR A 43 1.401 9.758 3.065 1.00 0.37 C ATOM 618 O THR A 43 0.519 9.893 3.907 1.00 0.48 O ATOM 619 CB THR A 43 2.506 11.922 3.632 1.00 0.41 C ATOM 620 OG1 THR A 43 2.784 13.231 3.117 1.00 0.94 O ATOM 621 CG2 THR A 43 3.725 11.395 4.372 1.00 1.00 C ATOM 0 H THR A 43 0.456 12.131 1.903 1.00 0.32 H new ATOM 0 HA THR A 43 3.014 10.659 1.961 1.00 0.35 H new ATOM 0 HB THR A 43 1.671 11.977 4.330 1.00 0.41 H new ATOM 0 HG1 THR A 43 3.033 13.827 3.854 1.00 0.94 H new ATOM 0 HG21 THR A 43 3.986 12.081 5.178 1.00 1.00 H new ATOM 0 HG22 THR A 43 3.501 10.413 4.789 1.00 1.00 H new ATOM 0 HG23 THR A 43 4.563 11.313 3.680 1.00 1.00 H new ATOM 629 N MET A 44 1.786 8.570 2.606 1.00 0.35 N ATOM 630 CA MET A 44 1.169 7.335 3.079 1.00 0.41 C ATOM 631 C MET A 44 2.177 6.446 3.798 1.00 0.38 C ATOM 632 O MET A 44 3.358 6.421 3.455 1.00 0.40 O ATOM 633 CB MET A 44 0.552 6.573 1.906 1.00 0.49 C ATOM 634 CG MET A 44 1.531 6.300 0.775 1.00 0.86 C ATOM 635 SD MET A 44 1.833 4.540 0.526 1.00 1.82 S ATOM 636 CE MET A 44 0.214 3.989 -0.007 1.00 2.30 C ATOM 0 H MET A 44 2.519 8.437 1.910 1.00 0.35 H new ATOM 0 HA MET A 44 0.388 7.605 3.790 1.00 0.41 H new ATOM 0 HB2 MET A 44 0.155 5.625 2.268 1.00 0.49 H new ATOM 0 HB3 MET A 44 -0.291 7.144 1.516 1.00 0.49 H new ATOM 0 HG2 MET A 44 1.144 6.732 -0.148 1.00 0.86 H new ATOM 0 HG3 MET A 44 2.476 6.800 0.989 1.00 0.86 H new ATOM 0 HE1 MET A 44 0.216 2.904 -0.115 1.00 2.30 H new ATOM 0 HE2 MET A 44 -0.531 4.278 0.734 1.00 2.30 H new ATOM 0 HE3 MET A 44 -0.030 4.449 -0.965 1.00 2.30 H new ATOM 646 N ARG A 45 1.695 5.709 4.795 1.00 0.36 N ATOM 647 CA ARG A 45 2.542 4.807 5.566 1.00 0.34 C ATOM 648 C ARG A 45 2.169 3.355 5.284 1.00 0.32 C ATOM 649 O ARG A 45 0.991 3.023 5.142 1.00 0.34 O ATOM 650 CB ARG A 45 2.414 5.095 7.064 1.00 0.37 C ATOM 651 CG ARG A 45 2.155 6.558 7.389 1.00 0.66 C ATOM 652 CD ARG A 45 3.325 7.437 6.974 1.00 0.88 C ATOM 653 NE ARG A 45 4.608 6.868 7.375 1.00 1.57 N ATOM 654 CZ ARG A 45 5.027 6.808 8.634 1.00 2.04 C ATOM 655 NH1 ARG A 45 4.264 7.277 9.613 1.00 2.22 N ATOM 656 NH2 ARG A 45 6.208 6.278 8.919 1.00 2.89 N ATOM 0 H ARG A 45 0.718 5.720 5.088 1.00 0.36 H new ATOM 0 HA ARG A 45 3.576 4.972 5.265 1.00 0.34 H new ATOM 0 HB2 ARG A 45 1.602 4.493 7.472 1.00 0.37 H new ATOM 0 HB3 ARG A 45 3.329 4.778 7.565 1.00 0.37 H new ATOM 0 HG2 ARG A 45 1.250 6.890 6.880 1.00 0.66 H new ATOM 0 HG3 ARG A 45 1.977 6.668 8.459 1.00 0.66 H new ATOM 0 HD2 ARG A 45 3.311 7.572 5.892 1.00 0.88 H new ATOM 0 HD3 ARG A 45 3.212 8.425 7.420 1.00 0.88 H new ATOM 0 HE ARG A 45 5.217 6.495 6.647 1.00 1.57 H new ATOM 0 HH11 ARG A 45 3.354 7.685 9.399 1.00 2.22 H new ATOM 0 HH12 ARG A 45 4.588 7.230 10.579 1.00 2.22 H new ATOM 0 HH21 ARG A 45 6.798 5.915 8.170 1.00 2.89 H new ATOM 0 HH22 ARG A 45 6.527 6.233 9.887 1.00 2.89 H new ATOM 670 N TRP A 46 3.178 2.492 5.208 1.00 0.31 N ATOM 671 CA TRP A 46 2.947 1.076 4.944 1.00 0.31 C ATOM 672 C TRP A 46 3.004 0.268 6.236 1.00 0.26 C ATOM 673 O TRP A 46 4.035 0.233 6.915 1.00 0.29 O ATOM 674 CB TRP A 46 3.984 0.547 3.952 1.00 0.39 C ATOM 675 CG TRP A 46 4.206 1.456 2.781 1.00 0.70 C ATOM 676 CD1 TRP A 46 3.654 1.341 1.537 1.00 1.52 C ATOM 677 CD2 TRP A 46 5.042 2.618 2.745 1.00 1.34 C ATOM 678 NE1 TRP A 46 4.096 2.361 0.730 1.00 1.62 N ATOM 679 CE2 TRP A 46 4.949 3.158 1.449 1.00 1.46 C ATOM 680 CE3 TRP A 46 5.860 3.256 3.682 1.00 2.43 C ATOM 681 CZ2 TRP A 46 5.642 4.305 1.066 1.00 2.14 C ATOM 682 CZ3 TRP A 46 6.547 4.394 3.303 1.00 3.28 C ATOM 683 CH2 TRP A 46 6.434 4.908 2.006 1.00 3.02 C ATOM 0 H TRP A 46 4.159 2.747 5.325 1.00 0.31 H new ATOM 0 HA TRP A 46 1.952 0.968 4.512 1.00 0.31 H new ATOM 0 HB2 TRP A 46 4.931 0.399 4.472 1.00 0.39 H new ATOM 0 HB3 TRP A 46 3.663 -0.429 3.589 1.00 0.39 H new ATOM 0 HD1 TRP A 46 2.970 0.562 1.232 1.00 1.52 H new ATOM 0 HE1 TRP A 46 3.833 2.502 -0.245 1.00 1.62 H new ATOM 0 HE3 TRP A 46 5.954 2.866 4.685 1.00 2.43 H new ATOM 0 HZ2 TRP A 46 5.557 4.703 0.066 1.00 2.14 H new ATOM 0 HZ3 TRP A 46 7.181 4.895 4.019 1.00 3.28 H new ATOM 0 HH2 TRP A 46 6.983 5.799 1.741 1.00 3.02 H new ATOM 694 N LEU A 47 1.892 -0.389 6.560 1.00 0.25 N ATOM 695 CA LEU A 47 1.808 -1.204 7.765 1.00 0.26 C ATOM 696 C LEU A 47 1.146 -2.546 7.465 1.00 0.24 C ATOM 697 O LEU A 47 0.013 -2.599 6.989 1.00 0.31 O ATOM 698 CB LEU A 47 1.022 -0.466 8.851 1.00 0.37 C ATOM 699 CG LEU A 47 1.228 -0.993 10.273 1.00 0.80 C ATOM 700 CD1 LEU A 47 2.267 -0.158 11.006 1.00 1.58 C ATOM 701 CD2 LEU A 47 -0.087 -0.996 11.035 1.00 1.53 C ATOM 0 H LEU A 47 1.038 -0.371 6.003 1.00 0.25 H new ATOM 0 HA LEU A 47 2.821 -1.389 8.122 1.00 0.26 H new ATOM 0 HB2 LEU A 47 1.300 0.588 8.827 1.00 0.37 H new ATOM 0 HB3 LEU A 47 -0.040 -0.521 8.610 1.00 0.37 H new ATOM 0 HG LEU A 47 1.592 -2.018 10.211 1.00 0.80 H new ATOM 0 HD11 LEU A 47 2.400 -0.547 12.015 1.00 1.58 H new ATOM 0 HD12 LEU A 47 3.215 -0.205 10.471 1.00 1.58 H new ATOM 0 HD13 LEU A 47 1.931 0.878 11.058 1.00 1.58 H new ATOM 0 HD21 LEU A 47 0.078 -1.374 12.044 1.00 1.53 H new ATOM 0 HD22 LEU A 47 -0.480 0.020 11.087 1.00 1.53 H new ATOM 0 HD23 LEU A 47 -0.804 -1.636 10.521 1.00 1.53 H new ATOM 713 N LYS A 48 1.866 -3.626 7.744 1.00 0.22 N ATOM 714 CA LYS A 48 1.358 -4.973 7.506 1.00 0.25 C ATOM 715 C LYS A 48 1.458 -5.829 8.767 1.00 0.26 C ATOM 716 O LYS A 48 2.543 -6.014 9.318 1.00 0.31 O ATOM 717 CB LYS A 48 2.126 -5.641 6.356 1.00 0.34 C ATOM 718 CG LYS A 48 3.524 -5.080 6.131 1.00 0.41 C ATOM 719 CD LYS A 48 4.091 -5.523 4.793 1.00 0.88 C ATOM 720 CE LYS A 48 4.710 -6.909 4.880 1.00 0.73 C ATOM 721 NZ LYS A 48 5.083 -7.437 3.539 1.00 1.37 N ATOM 0 H LYS A 48 2.807 -3.595 8.137 1.00 0.22 H new ATOM 0 HA LYS A 48 0.307 -4.890 7.230 1.00 0.25 H new ATOM 0 HB2 LYS A 48 2.203 -6.709 6.558 1.00 0.34 H new ATOM 0 HB3 LYS A 48 1.550 -5.531 5.437 1.00 0.34 H new ATOM 0 HG2 LYS A 48 3.491 -3.991 6.171 1.00 0.41 H new ATOM 0 HG3 LYS A 48 4.183 -5.409 6.934 1.00 0.41 H new ATOM 0 HD2 LYS A 48 3.299 -5.524 4.044 1.00 0.88 H new ATOM 0 HD3 LYS A 48 4.844 -4.808 4.461 1.00 0.88 H new ATOM 0 HE2 LYS A 48 5.596 -6.872 5.514 1.00 0.73 H new ATOM 0 HE3 LYS A 48 4.006 -7.592 5.356 1.00 0.73 H new ATOM 0 HZ1 LYS A 48 4.604 -8.346 3.379 1.00 1.37 H new ATOM 0 HZ2 LYS A 48 4.793 -6.759 2.806 1.00 1.37 H new ATOM 0 HZ3 LYS A 48 6.113 -7.575 3.494 1.00 1.37 H new ATOM 735 N ASN A 49 0.320 -6.353 9.213 1.00 0.28 N ATOM 736 CA ASN A 49 0.274 -7.198 10.407 1.00 0.35 C ATOM 737 C ASN A 49 1.072 -6.583 11.554 1.00 0.39 C ATOM 738 O ASN A 49 1.756 -7.289 12.295 1.00 0.50 O ATOM 739 CB ASN A 49 0.819 -8.592 10.089 1.00 0.38 C ATOM 740 CG ASN A 49 0.221 -9.661 10.982 1.00 0.75 C ATOM 741 OD1 ASN A 49 -0.990 -9.888 10.975 1.00 1.53 O ATOM 742 ND2 ASN A 49 1.069 -10.325 11.759 1.00 1.32 N ATOM 0 H ASN A 49 -0.585 -6.208 8.766 1.00 0.28 H new ATOM 0 HA ASN A 49 -0.768 -7.277 10.719 1.00 0.35 H new ATOM 0 HB2 ASN A 49 0.609 -8.833 9.047 1.00 0.38 H new ATOM 0 HB3 ASN A 49 1.903 -8.591 10.203 1.00 0.38 H new ATOM 0 HD21 ASN A 49 0.725 -11.056 12.382 1.00 1.32 H new ATOM 0 HD22 ASN A 49 2.065 -10.104 11.733 1.00 1.32 H new ATOM 749 N GLY A 50 0.984 -5.266 11.690 1.00 0.38 N ATOM 750 CA GLY A 50 1.708 -4.581 12.743 1.00 0.45 C ATOM 751 C GLY A 50 3.174 -4.392 12.402 1.00 0.48 C ATOM 752 O GLY A 50 4.002 -4.163 13.284 1.00 0.68 O ATOM 0 H GLY A 50 0.424 -4.660 11.090 1.00 0.38 H new ATOM 0 HA2 GLY A 50 1.250 -3.608 12.923 1.00 0.45 H new ATOM 0 HA3 GLY A 50 1.623 -5.149 13.669 1.00 0.45 H new ATOM 756 N LYS A 51 3.492 -4.490 11.115 1.00 0.36 N ATOM 757 CA LYS A 51 4.861 -4.329 10.644 1.00 0.39 C ATOM 758 C LYS A 51 4.953 -3.161 9.670 1.00 0.38 C ATOM 759 O LYS A 51 4.084 -2.986 8.822 1.00 0.39 O ATOM 760 CB LYS A 51 5.336 -5.619 9.968 1.00 0.42 C ATOM 761 CG LYS A 51 6.811 -5.617 9.609 1.00 0.53 C ATOM 762 CD LYS A 51 7.032 -5.206 8.162 1.00 0.75 C ATOM 763 CE LYS A 51 8.458 -5.488 7.713 1.00 0.82 C ATOM 764 NZ LYS A 51 9.459 -4.795 8.570 1.00 1.36 N ATOM 0 H LYS A 51 2.815 -4.681 10.377 1.00 0.36 H new ATOM 0 HA LYS A 51 5.504 -4.119 11.499 1.00 0.39 H new ATOM 0 HB2 LYS A 51 5.134 -6.461 10.631 1.00 0.42 H new ATOM 0 HB3 LYS A 51 4.752 -5.780 9.062 1.00 0.42 H new ATOM 0 HG2 LYS A 51 7.346 -4.933 10.268 1.00 0.53 H new ATOM 0 HG3 LYS A 51 7.228 -6.611 9.774 1.00 0.53 H new ATOM 0 HD2 LYS A 51 6.334 -5.743 7.520 1.00 0.75 H new ATOM 0 HD3 LYS A 51 6.817 -4.144 8.048 1.00 0.75 H new ATOM 0 HE2 LYS A 51 8.641 -6.562 7.738 1.00 0.82 H new ATOM 0 HE3 LYS A 51 8.583 -5.168 6.679 1.00 0.82 H new ATOM 0 HZ1 LYS A 51 10.408 -4.915 8.162 1.00 1.36 H new ATOM 0 HZ2 LYS A 51 9.230 -3.782 8.621 1.00 1.36 H new ATOM 0 HZ3 LYS A 51 9.439 -5.203 9.526 1.00 1.36 H new ATOM 778 N GLU A 52 6.008 -2.366 9.791 1.00 0.38 N ATOM 779 CA GLU A 52 6.194 -1.218 8.910 1.00 0.39 C ATOM 780 C GLU A 52 7.264 -1.504 7.866 1.00 0.43 C ATOM 781 O GLU A 52 8.225 -2.225 8.132 1.00 0.49 O ATOM 782 CB GLU A 52 6.575 0.022 9.723 1.00 0.44 C ATOM 783 CG GLU A 52 7.866 -0.141 10.509 1.00 1.03 C ATOM 784 CD GLU A 52 8.448 1.187 10.955 1.00 1.38 C ATOM 785 OE1 GLU A 52 8.798 2.006 10.080 1.00 1.71 O ATOM 786 OE2 GLU A 52 8.556 1.405 12.181 1.00 1.90 O ATOM 0 H GLU A 52 6.744 -2.493 10.485 1.00 0.38 H new ATOM 0 HA GLU A 52 5.251 -1.030 8.397 1.00 0.39 H new ATOM 0 HB2 GLU A 52 6.675 0.872 9.048 1.00 0.44 H new ATOM 0 HB3 GLU A 52 5.765 0.256 10.414 1.00 0.44 H new ATOM 0 HG2 GLU A 52 7.678 -0.764 11.384 1.00 1.03 H new ATOM 0 HG3 GLU A 52 8.597 -0.666 9.895 1.00 1.03 H new ATOM 793 N PHE A 53 7.100 -0.929 6.679 1.00 0.43 N ATOM 794 CA PHE A 53 8.066 -1.123 5.603 1.00 0.50 C ATOM 795 C PHE A 53 8.341 0.191 4.879 1.00 0.56 C ATOM 796 O PHE A 53 7.415 0.917 4.518 1.00 0.70 O ATOM 797 CB PHE A 53 7.563 -2.170 4.609 1.00 0.57 C ATOM 798 CG PHE A 53 8.516 -3.314 4.410 1.00 1.46 C ATOM 799 CD1 PHE A 53 9.886 -3.105 4.432 1.00 1.99 C ATOM 800 CD2 PHE A 53 8.042 -4.599 4.199 1.00 2.42 C ATOM 801 CE1 PHE A 53 10.765 -4.156 4.250 1.00 3.14 C ATOM 802 CE2 PHE A 53 8.916 -5.653 4.014 1.00 3.55 C ATOM 803 CZ PHE A 53 10.285 -5.428 4.040 1.00 3.85 C ATOM 0 H PHE A 53 6.312 -0.328 6.438 1.00 0.43 H new ATOM 0 HA PHE A 53 8.996 -1.478 6.047 1.00 0.50 H new ATOM 0 HB2 PHE A 53 6.607 -2.560 4.957 1.00 0.57 H new ATOM 0 HB3 PHE A 53 7.380 -1.689 3.648 1.00 0.57 H new ATOM 0 HD1 PHE A 53 10.271 -2.109 4.593 1.00 1.99 H new ATOM 0 HD2 PHE A 53 6.977 -4.779 4.179 1.00 2.42 H new ATOM 0 HE1 PHE A 53 11.830 -3.978 4.273 1.00 3.14 H new ATOM 0 HE2 PHE A 53 8.534 -6.650 3.850 1.00 3.55 H new ATOM 0 HZ PHE A 53 10.972 -6.249 3.896 1.00 3.85 H new ATOM 813 N LYS A 54 9.619 0.488 4.669 1.00 0.64 N ATOM 814 CA LYS A 54 10.011 1.714 3.984 1.00 0.77 C ATOM 815 C LYS A 54 10.129 1.477 2.482 1.00 1.29 C ATOM 816 O LYS A 54 10.669 0.460 2.047 1.00 1.12 O ATOM 817 CB LYS A 54 11.342 2.229 4.540 1.00 0.86 C ATOM 818 CG LYS A 54 11.450 3.747 4.556 1.00 1.43 C ATOM 819 CD LYS A 54 11.721 4.273 5.957 1.00 1.82 C ATOM 820 CE LYS A 54 11.565 5.784 6.024 1.00 2.44 C ATOM 821 NZ LYS A 54 12.400 6.475 5.001 1.00 3.19 N ATOM 0 H LYS A 54 10.398 -0.101 4.962 1.00 0.64 H new ATOM 0 HA LYS A 54 9.240 2.465 4.157 1.00 0.77 H new ATOM 0 HB2 LYS A 54 11.472 1.853 5.555 1.00 0.86 H new ATOM 0 HB3 LYS A 54 12.158 1.821 3.943 1.00 0.86 H new ATOM 0 HG2 LYS A 54 12.250 4.063 3.887 1.00 1.43 H new ATOM 0 HG3 LYS A 54 10.526 4.182 4.175 1.00 1.43 H new ATOM 0 HD2 LYS A 54 11.035 3.804 6.662 1.00 1.82 H new ATOM 0 HD3 LYS A 54 12.730 3.996 6.262 1.00 1.82 H new ATOM 0 HE2 LYS A 54 10.518 6.048 5.876 1.00 2.44 H new ATOM 0 HE3 LYS A 54 11.845 6.134 7.018 1.00 2.44 H new ATOM 0 HZ1 LYS A 54 12.413 7.496 5.196 1.00 3.19 H new ATOM 0 HZ2 LYS A 54 13.371 6.103 5.036 1.00 3.19 H new ATOM 0 HZ3 LYS A 54 12.000 6.308 4.056 1.00 3.19 H new ATOM 835 N GLN A 55 9.623 2.421 1.693 1.00 2.12 N ATOM 836 CA GLN A 55 9.678 2.303 0.241 1.00 2.84 C ATOM 837 C GLN A 55 11.119 2.183 -0.235 1.00 2.74 C ATOM 838 O GLN A 55 11.384 1.648 -1.311 1.00 3.04 O ATOM 839 CB GLN A 55 9.002 3.507 -0.421 1.00 3.80 C ATOM 840 CG GLN A 55 9.807 4.793 -0.310 1.00 4.05 C ATOM 841 CD GLN A 55 9.071 5.992 -0.875 1.00 4.76 C ATOM 842 OE1 GLN A 55 7.938 6.278 -0.490 1.00 5.13 O ATOM 843 NE2 GLN A 55 9.714 6.701 -1.795 1.00 5.27 N ATOM 0 H GLN A 55 9.173 3.271 2.033 1.00 2.12 H new ATOM 0 HA GLN A 55 9.142 1.399 -0.047 1.00 2.84 H new ATOM 0 HB2 GLN A 55 8.832 3.284 -1.474 1.00 3.80 H new ATOM 0 HB3 GLN A 55 8.024 3.660 0.034 1.00 3.80 H new ATOM 0 HG2 GLN A 55 10.046 4.978 0.737 1.00 4.05 H new ATOM 0 HG3 GLN A 55 10.754 4.671 -0.836 1.00 4.05 H new ATOM 0 HE21 GLN A 55 10.653 6.428 -2.085 1.00 5.27 H new ATOM 0 HE22 GLN A 55 9.269 7.519 -2.212 1.00 5.27 H new ATOM 852 N GLU A 56 12.047 2.665 0.580 1.00 2.55 N ATOM 853 CA GLU A 56 13.459 2.590 0.247 1.00 2.90 C ATOM 854 C GLU A 56 14.049 1.247 0.681 1.00 2.31 C ATOM 855 O GLU A 56 15.235 0.993 0.481 1.00 2.87 O ATOM 856 CB GLU A 56 14.223 3.737 0.910 1.00 3.47 C ATOM 857 CG GLU A 56 14.706 4.792 -0.072 1.00 4.30 C ATOM 858 CD GLU A 56 13.624 5.790 -0.434 1.00 5.06 C ATOM 859 OE1 GLU A 56 12.758 6.064 0.424 1.00 5.55 O ATOM 860 OE2 GLU A 56 13.641 6.300 -1.575 1.00 5.47 O ATOM 0 H GLU A 56 11.846 3.111 1.475 1.00 2.55 H new ATOM 0 HA GLU A 56 13.558 2.677 -0.835 1.00 2.90 H new ATOM 0 HB2 GLU A 56 13.580 4.210 1.652 1.00 3.47 H new ATOM 0 HB3 GLU A 56 15.081 3.330 1.445 1.00 3.47 H new ATOM 0 HG2 GLU A 56 15.555 5.323 0.359 1.00 4.30 H new ATOM 0 HG3 GLU A 56 15.062 4.303 -0.979 1.00 4.30 H new ATOM 867 N HIS A 57 13.217 0.386 1.279 1.00 1.41 N ATOM 868 CA HIS A 57 13.681 -0.918 1.733 1.00 1.04 C ATOM 869 C HIS A 57 12.606 -1.992 1.565 1.00 0.97 C ATOM 870 O HIS A 57 11.507 -1.877 2.105 1.00 1.34 O ATOM 871 CB HIS A 57 14.112 -0.845 3.197 1.00 1.30 C ATOM 872 CG HIS A 57 15.306 0.029 3.429 1.00 1.65 C ATOM 873 ND1 HIS A 57 16.384 0.072 2.571 1.00 2.34 N ATOM 874 CD2 HIS A 57 15.588 0.897 4.430 1.00 2.26 C ATOM 875 CE1 HIS A 57 17.279 0.928 3.035 1.00 2.86 C ATOM 876 NE2 HIS A 57 16.819 1.440 4.161 1.00 2.77 N ATOM 0 H HIS A 57 12.230 0.571 1.456 1.00 1.41 H new ATOM 0 HA HIS A 57 14.534 -1.195 1.114 1.00 1.04 H new ATOM 0 HB2 HIS A 57 13.279 -0.473 3.794 1.00 1.30 H new ATOM 0 HB3 HIS A 57 14.335 -1.851 3.552 1.00 1.30 H new ATOM 0 HD1 HIS A 57 16.477 -0.471 1.713 1.00 2.34 H new ATOM 0 HD2 HIS A 57 14.961 1.120 5.281 1.00 2.26 H new ATOM 0 HE1 HIS A 57 18.225 1.167 2.572 1.00 2.86 H new ATOM 885 N ARG A 58 12.949 -3.045 0.828 1.00 1.00 N ATOM 886 CA ARG A 58 12.033 -4.160 0.599 1.00 0.92 C ATOM 887 C ARG A 58 12.813 -5.421 0.254 1.00 0.69 C ATOM 888 O ARG A 58 13.914 -5.349 -0.296 1.00 0.78 O ATOM 889 CB ARG A 58 11.044 -3.840 -0.522 1.00 1.23 C ATOM 890 CG ARG A 58 9.634 -3.566 -0.029 1.00 1.36 C ATOM 891 CD ARG A 58 8.945 -2.507 -0.871 1.00 1.75 C ATOM 892 NE ARG A 58 8.495 -1.377 -0.066 1.00 2.44 N ATOM 893 CZ ARG A 58 7.480 -1.438 0.790 1.00 3.22 C ATOM 894 NH1 ARG A 58 6.808 -2.571 0.947 1.00 3.53 N ATOM 895 NH2 ARG A 58 7.137 -0.367 1.491 1.00 3.98 N ATOM 0 H ARG A 58 13.858 -3.150 0.377 1.00 1.00 H new ATOM 0 HA ARG A 58 11.470 -4.325 1.518 1.00 0.92 H new ATOM 0 HB2 ARG A 58 11.402 -2.971 -1.074 1.00 1.23 H new ATOM 0 HB3 ARG A 58 11.019 -4.675 -1.223 1.00 1.23 H new ATOM 0 HG2 ARG A 58 9.053 -4.488 -0.055 1.00 1.36 H new ATOM 0 HG3 ARG A 58 9.668 -3.240 1.011 1.00 1.36 H new ATOM 0 HD2 ARG A 58 9.631 -2.153 -1.641 1.00 1.75 H new ATOM 0 HD3 ARG A 58 8.091 -2.950 -1.383 1.00 1.75 H new ATOM 0 HE ARG A 58 8.987 -0.489 -0.166 1.00 2.44 H new ATOM 0 HH11 ARG A 58 7.070 -3.398 0.410 1.00 3.53 H new ATOM 0 HH12 ARG A 58 6.029 -2.615 1.605 1.00 3.53 H new ATOM 0 HH21 ARG A 58 7.652 0.506 1.374 1.00 3.98 H new ATOM 0 HH22 ARG A 58 6.358 -0.415 2.148 1.00 3.98 H new ATOM 909 N ILE A 59 12.244 -6.574 0.575 1.00 0.67 N ATOM 910 CA ILE A 59 12.897 -7.845 0.295 1.00 0.66 C ATOM 911 C ILE A 59 12.925 -8.139 -1.197 1.00 0.59 C ATOM 912 O ILE A 59 11.933 -8.596 -1.764 1.00 0.57 O ATOM 913 CB ILE A 59 12.202 -9.013 1.017 1.00 0.95 C ATOM 914 CG1 ILE A 59 12.060 -8.706 2.506 1.00 1.05 C ATOM 915 CG2 ILE A 59 12.978 -10.303 0.806 1.00 1.16 C ATOM 916 CD1 ILE A 59 11.521 -9.865 3.314 1.00 1.64 C ATOM 0 H ILE A 59 11.334 -6.656 1.028 1.00 0.67 H new ATOM 0 HA ILE A 59 13.918 -7.753 0.665 1.00 0.66 H new ATOM 0 HB ILE A 59 11.205 -9.141 0.596 1.00 0.95 H new ATOM 0 HG12 ILE A 59 13.033 -8.418 2.904 1.00 1.05 H new ATOM 0 HG13 ILE A 59 11.399 -7.849 2.630 1.00 1.05 H new ATOM 0 HG21 ILE A 59 12.474 -11.120 1.323 1.00 1.16 H new ATOM 0 HG22 ILE A 59 13.031 -10.526 -0.260 1.00 1.16 H new ATOM 0 HG23 ILE A 59 13.987 -10.190 1.203 1.00 1.16 H new ATOM 0 HD11 ILE A 59 11.447 -9.575 4.362 1.00 1.64 H new ATOM 0 HD12 ILE A 59 10.534 -10.139 2.943 1.00 1.64 H new ATOM 0 HD13 ILE A 59 12.193 -10.718 3.220 1.00 1.64 H new ATOM 928 N GLY A 60 14.067 -7.892 -1.828 1.00 0.70 N ATOM 929 CA GLY A 60 14.199 -8.160 -3.246 1.00 0.77 C ATOM 930 C GLY A 60 14.122 -6.915 -4.110 1.00 0.74 C ATOM 931 O GLY A 60 14.400 -6.976 -5.307 1.00 0.79 O ATOM 0 H GLY A 60 14.902 -7.511 -1.383 1.00 0.70 H new ATOM 0 HA2 GLY A 60 15.152 -8.658 -3.426 1.00 0.77 H new ATOM 0 HA3 GLY A 60 13.414 -8.853 -3.551 1.00 0.77 H new ATOM 935 N GLY A 61 13.737 -5.785 -3.522 1.00 0.70 N ATOM 936 CA GLY A 61 13.633 -4.555 -4.292 1.00 0.72 C ATOM 937 C GLY A 61 12.379 -3.774 -3.951 1.00 0.74 C ATOM 938 O GLY A 61 11.477 -4.298 -3.297 1.00 1.20 O ATOM 0 H GLY A 61 13.497 -5.698 -2.535 1.00 0.70 H new ATOM 0 HA2 GLY A 61 14.509 -3.934 -4.103 1.00 0.72 H new ATOM 0 HA3 GLY A 61 13.634 -4.792 -5.356 1.00 0.72 H new ATOM 942 N TYR A 62 12.315 -2.517 -4.385 1.00 0.69 N ATOM 943 CA TYR A 62 11.155 -1.676 -4.105 1.00 0.84 C ATOM 944 C TYR A 62 10.754 -0.848 -5.321 1.00 0.73 C ATOM 945 O TYR A 62 11.557 -0.086 -5.858 1.00 0.97 O ATOM 946 CB TYR A 62 11.450 -0.740 -2.932 1.00 1.36 C ATOM 947 CG TYR A 62 12.790 -0.048 -3.035 1.00 1.92 C ATOM 948 CD1 TYR A 62 12.915 1.173 -3.685 1.00 2.43 C ATOM 949 CD2 TYR A 62 13.931 -0.620 -2.485 1.00 2.32 C ATOM 950 CE1 TYR A 62 14.140 1.807 -3.784 1.00 3.07 C ATOM 951 CE2 TYR A 62 15.157 0.007 -2.581 1.00 3.05 C ATOM 952 CZ TYR A 62 15.258 1.219 -3.230 1.00 3.35 C ATOM 953 OH TYR A 62 16.478 1.843 -3.326 1.00 4.10 O ATOM 0 H TYR A 62 13.048 -2.061 -4.928 1.00 0.69 H new ATOM 0 HA TYR A 62 10.327 -2.338 -3.851 1.00 0.84 H new ATOM 0 HB2 TYR A 62 10.665 0.013 -2.872 1.00 1.36 H new ATOM 0 HB3 TYR A 62 11.415 -1.311 -2.004 1.00 1.36 H new ATOM 0 HD1 TYR A 62 12.041 1.635 -4.120 1.00 2.43 H new ATOM 0 HD2 TYR A 62 13.857 -1.569 -1.975 1.00 2.32 H new ATOM 0 HE1 TYR A 62 14.221 2.757 -4.292 1.00 3.07 H new ATOM 0 HE2 TYR A 62 16.035 -0.451 -2.149 1.00 3.05 H new ATOM 0 HH TYR A 62 17.161 1.297 -2.883 1.00 4.10 H new ATOM 963 N LYS A 63 9.499 -0.989 -5.740 1.00 0.66 N ATOM 964 CA LYS A 63 8.987 -0.237 -6.879 1.00 0.78 C ATOM 965 C LYS A 63 7.668 0.442 -6.519 1.00 0.67 C ATOM 966 O LYS A 63 6.781 -0.177 -5.933 1.00 0.54 O ATOM 967 CB LYS A 63 8.805 -1.153 -8.091 1.00 1.11 C ATOM 968 CG LYS A 63 9.758 -0.843 -9.234 1.00 1.28 C ATOM 969 CD LYS A 63 10.257 -2.114 -9.904 1.00 1.83 C ATOM 970 CE LYS A 63 11.223 -2.871 -9.008 1.00 2.36 C ATOM 971 NZ LYS A 63 10.936 -4.332 -8.990 1.00 3.18 N ATOM 0 H LYS A 63 8.820 -1.616 -5.308 1.00 0.66 H new ATOM 0 HA LYS A 63 9.714 0.533 -7.138 1.00 0.78 H new ATOM 0 HB2 LYS A 63 8.948 -2.188 -7.779 1.00 1.11 H new ATOM 0 HB3 LYS A 63 7.779 -1.068 -8.450 1.00 1.11 H new ATOM 0 HG2 LYS A 63 9.254 -0.216 -9.970 1.00 1.28 H new ATOM 0 HG3 LYS A 63 10.606 -0.272 -8.857 1.00 1.28 H new ATOM 0 HD2 LYS A 63 9.410 -2.754 -10.151 1.00 1.83 H new ATOM 0 HD3 LYS A 63 10.750 -1.863 -10.843 1.00 1.83 H new ATOM 0 HE2 LYS A 63 12.244 -2.706 -9.353 1.00 2.36 H new ATOM 0 HE3 LYS A 63 11.162 -2.477 -7.994 1.00 2.36 H new ATOM 0 HZ1 LYS A 63 11.617 -4.812 -8.367 1.00 3.18 H new ATOM 0 HZ2 LYS A 63 9.971 -4.492 -8.636 1.00 3.18 H new ATOM 0 HZ3 LYS A 63 11.019 -4.714 -9.954 1.00 3.18 H new ATOM 985 N VAL A 64 7.552 1.719 -6.868 1.00 0.81 N ATOM 986 CA VAL A 64 6.342 2.481 -6.574 1.00 0.77 C ATOM 987 C VAL A 64 5.935 3.367 -7.751 1.00 0.82 C ATOM 988 O VAL A 64 6.785 3.959 -8.417 1.00 0.89 O ATOM 989 CB VAL A 64 6.526 3.363 -5.324 1.00 0.85 C ATOM 990 CG1 VAL A 64 6.465 2.518 -4.062 1.00 1.49 C ATOM 991 CG2 VAL A 64 7.838 4.130 -5.399 1.00 1.71 C ATOM 0 H VAL A 64 8.278 2.247 -7.353 1.00 0.81 H new ATOM 0 HA VAL A 64 5.553 1.752 -6.389 1.00 0.77 H new ATOM 0 HB VAL A 64 5.712 4.087 -5.289 1.00 0.85 H new ATOM 0 HG11 VAL A 64 6.597 3.157 -3.189 1.00 1.49 H new ATOM 0 HG12 VAL A 64 5.497 2.020 -4.004 1.00 1.49 H new ATOM 0 HG13 VAL A 64 7.257 1.770 -4.087 1.00 1.49 H new ATOM 0 HG21 VAL A 64 7.950 4.747 -4.508 1.00 1.71 H new ATOM 0 HG22 VAL A 64 8.668 3.426 -5.460 1.00 1.71 H new ATOM 0 HG23 VAL A 64 7.837 4.767 -6.284 1.00 1.71 H new ATOM 1001 N ARG A 65 4.633 3.444 -8.005 1.00 0.82 N ATOM 1002 CA ARG A 65 4.116 4.250 -9.108 1.00 0.92 C ATOM 1003 C ARG A 65 3.716 5.645 -8.639 1.00 1.03 C ATOM 1004 O ARG A 65 2.792 5.805 -7.841 1.00 1.18 O ATOM 1005 CB ARG A 65 2.916 3.556 -9.753 1.00 0.96 C ATOM 1006 CG ARG A 65 2.701 3.942 -11.207 1.00 1.51 C ATOM 1007 CD ARG A 65 1.702 5.079 -11.339 1.00 2.02 C ATOM 1008 NE ARG A 65 1.870 5.810 -12.592 1.00 2.60 N ATOM 1009 CZ ARG A 65 1.546 5.316 -13.782 1.00 3.22 C ATOM 1010 NH1 ARG A 65 1.033 4.097 -13.878 1.00 3.52 N ATOM 1011 NH2 ARG A 65 1.732 6.041 -14.875 1.00 3.99 N ATOM 0 H ARG A 65 3.917 2.960 -7.464 1.00 0.82 H new ATOM 0 HA ARG A 65 4.913 4.355 -9.844 1.00 0.92 H new ATOM 0 HB2 ARG A 65 3.053 2.477 -9.689 1.00 0.96 H new ATOM 0 HB3 ARG A 65 2.018 3.798 -9.185 1.00 0.96 H new ATOM 0 HG2 ARG A 65 3.652 4.238 -11.650 1.00 1.51 H new ATOM 0 HG3 ARG A 65 2.345 3.076 -11.766 1.00 1.51 H new ATOM 0 HD2 ARG A 65 0.689 4.680 -11.285 1.00 2.02 H new ATOM 0 HD3 ARG A 65 1.820 5.765 -10.500 1.00 2.02 H new ATOM 0 HE ARG A 65 2.258 6.753 -12.551 1.00 2.60 H new ATOM 0 HH11 ARG A 65 0.887 3.538 -13.038 1.00 3.52 H new ATOM 0 HH12 ARG A 65 0.785 3.719 -14.792 1.00 3.52 H new ATOM 0 HH21 ARG A 65 2.124 6.980 -14.804 1.00 3.99 H new ATOM 0 HH22 ARG A 65 1.483 5.660 -15.788 1.00 3.99 H new ATOM 1025 N ASN A 66 4.418 6.655 -9.151 1.00 1.03 N ATOM 1026 CA ASN A 66 4.147 8.052 -8.805 1.00 1.16 C ATOM 1027 C ASN A 66 3.831 8.225 -7.320 1.00 1.03 C ATOM 1028 O ASN A 66 3.086 9.127 -6.938 1.00 1.79 O ATOM 1029 CB ASN A 66 2.989 8.591 -9.645 1.00 1.96 C ATOM 1030 CG ASN A 66 3.103 10.083 -9.896 1.00 2.83 C ATOM 1031 OD1 ASN A 66 3.712 10.514 -10.875 1.00 3.41 O ATOM 1032 ND2 ASN A 66 2.516 10.880 -9.010 1.00 3.48 N ATOM 0 H ASN A 66 5.185 6.531 -9.812 1.00 1.03 H new ATOM 0 HA ASN A 66 5.052 8.619 -9.021 1.00 1.16 H new ATOM 0 HB2 ASN A 66 2.961 8.066 -10.600 1.00 1.96 H new ATOM 0 HB3 ASN A 66 2.047 8.381 -9.138 1.00 1.96 H new ATOM 0 HD21 ASN A 66 2.560 11.892 -9.127 1.00 3.48 H new ATOM 0 HD22 ASN A 66 2.022 10.480 -8.213 1.00 3.48 H new ATOM 1039 N GLN A 67 4.404 7.362 -6.488 1.00 1.15 N ATOM 1040 CA GLN A 67 4.186 7.430 -5.045 1.00 1.99 C ATOM 1041 C GLN A 67 2.776 6.980 -4.663 1.00 1.73 C ATOM 1042 O GLN A 67 2.609 6.043 -3.882 1.00 2.55 O ATOM 1043 CB GLN A 67 4.433 8.850 -4.538 1.00 2.86 C ATOM 1044 CG GLN A 67 5.195 8.903 -3.224 1.00 3.88 C ATOM 1045 CD GLN A 67 4.303 8.669 -2.021 1.00 4.69 C ATOM 1046 OE1 GLN A 67 3.154 8.248 -2.159 1.00 5.12 O ATOM 1047 NE2 GLN A 67 4.829 8.941 -0.833 1.00 5.31 N ATOM 0 H GLN A 67 5.022 6.608 -6.786 1.00 1.15 H new ATOM 0 HA GLN A 67 4.895 6.748 -4.575 1.00 1.99 H new ATOM 0 HB2 GLN A 67 4.989 9.405 -5.294 1.00 2.86 H new ATOM 0 HB3 GLN A 67 3.475 9.354 -4.413 1.00 2.86 H new ATOM 0 HG2 GLN A 67 5.985 8.153 -3.237 1.00 3.88 H new ATOM 0 HG3 GLN A 67 5.679 9.875 -3.129 1.00 3.88 H new ATOM 0 HE21 GLN A 67 5.786 9.288 -0.766 1.00 5.31 H new ATOM 0 HE22 GLN A 67 4.276 8.803 0.013 1.00 5.31 H new ATOM 1056 N HIS A 68 1.763 7.655 -5.203 1.00 0.89 N ATOM 1057 CA HIS A 68 0.376 7.321 -4.895 1.00 0.62 C ATOM 1058 C HIS A 68 -0.359 6.768 -6.115 1.00 0.68 C ATOM 1059 O HIS A 68 -0.625 7.490 -7.076 1.00 1.37 O ATOM 1060 CB HIS A 68 -0.364 8.547 -4.361 1.00 0.63 C ATOM 1061 CG HIS A 68 -1.674 8.215 -3.714 1.00 1.42 C ATOM 1062 ND1 HIS A 68 -2.084 8.761 -2.517 1.00 2.23 N ATOM 1063 CD2 HIS A 68 -2.666 7.380 -4.104 1.00 2.22 C ATOM 1064 CE1 HIS A 68 -3.270 8.275 -2.197 1.00 2.85 C ATOM 1065 NE2 HIS A 68 -3.645 7.436 -3.144 1.00 2.83 N ATOM 0 H HIS A 68 1.877 8.433 -5.853 1.00 0.89 H new ATOM 0 HA HIS A 68 0.393 6.545 -4.130 1.00 0.62 H new ATOM 0 HB2 HIS A 68 0.271 9.059 -3.638 1.00 0.63 H new ATOM 0 HB3 HIS A 68 -0.538 9.243 -5.181 1.00 0.63 H new ATOM 0 HD2 HIS A 68 -2.683 6.782 -5.003 1.00 2.22 H new ATOM 0 HE1 HIS A 68 -3.836 8.522 -1.311 1.00 2.85 H new ATOM 0 HE2 HIS A 68 -4.521 6.914 -3.160 1.00 2.83 H new ATOM 1074 N TRP A 69 -0.694 5.481 -6.051 1.00 0.51 N ATOM 1075 CA TRP A 69 -1.412 4.796 -7.126 1.00 0.45 C ATOM 1076 C TRP A 69 -1.294 3.288 -6.953 1.00 0.37 C ATOM 1077 O TRP A 69 -2.207 2.631 -6.456 1.00 0.44 O ATOM 1078 CB TRP A 69 -0.883 5.207 -8.504 1.00 0.56 C ATOM 1079 CG TRP A 69 -1.903 5.929 -9.331 1.00 0.93 C ATOM 1080 CD1 TRP A 69 -3.133 5.463 -9.700 1.00 1.16 C ATOM 1081 CD2 TRP A 69 -1.788 7.244 -9.887 1.00 1.62 C ATOM 1082 NE1 TRP A 69 -3.788 6.408 -10.452 1.00 1.72 N ATOM 1083 CE2 TRP A 69 -2.983 7.510 -10.580 1.00 2.01 C ATOM 1084 CE3 TRP A 69 -0.791 8.224 -9.865 1.00 2.13 C ATOM 1085 CZ2 TRP A 69 -3.208 8.713 -11.245 1.00 2.74 C ATOM 1086 CZ3 TRP A 69 -1.015 9.416 -10.526 1.00 2.88 C ATOM 1087 CH2 TRP A 69 -2.215 9.652 -11.207 1.00 3.14 C ATOM 0 H TRP A 69 -0.476 4.883 -5.254 1.00 0.51 H new ATOM 0 HA TRP A 69 -2.461 5.088 -7.068 1.00 0.45 H new ATOM 0 HB2 TRP A 69 -0.009 5.846 -8.376 1.00 0.56 H new ATOM 0 HB3 TRP A 69 -0.552 4.318 -9.040 1.00 0.56 H new ATOM 0 HD1 TRP A 69 -3.532 4.494 -9.439 1.00 1.16 H new ATOM 0 HE1 TRP A 69 -4.721 6.306 -10.850 1.00 1.72 H new ATOM 0 HE3 TRP A 69 0.137 8.052 -9.341 1.00 2.13 H new ATOM 0 HZ2 TRP A 69 -4.133 8.897 -11.771 1.00 2.74 H new ATOM 0 HZ3 TRP A 69 -0.251 10.179 -10.517 1.00 2.88 H new ATOM 0 HH2 TRP A 69 -2.359 10.595 -11.713 1.00 3.14 H new ATOM 1098 N SER A 70 -0.147 2.754 -7.351 1.00 0.35 N ATOM 1099 CA SER A 70 0.126 1.330 -7.230 1.00 0.33 C ATOM 1100 C SER A 70 1.597 1.118 -6.905 1.00 0.36 C ATOM 1101 O SER A 70 2.451 1.888 -7.344 1.00 0.39 O ATOM 1102 CB SER A 70 -0.239 0.593 -8.523 1.00 0.40 C ATOM 1103 OG SER A 70 0.402 1.180 -9.641 1.00 1.02 O ATOM 0 H SER A 70 0.615 3.292 -7.764 1.00 0.35 H new ATOM 0 HA SER A 70 -0.486 0.925 -6.424 1.00 0.33 H new ATOM 0 HB2 SER A 70 0.050 -0.455 -8.442 1.00 0.40 H new ATOM 0 HB3 SER A 70 -1.319 0.615 -8.666 1.00 0.40 H new ATOM 0 HG SER A 70 0.155 0.691 -10.454 1.00 1.02 H new ATOM 1109 N LEU A 71 1.901 0.070 -6.153 1.00 0.38 N ATOM 1110 CA LEU A 71 3.280 -0.228 -5.802 1.00 0.44 C ATOM 1111 C LEU A 71 3.514 -1.732 -5.769 1.00 0.44 C ATOM 1112 O LEU A 71 2.606 -2.503 -5.458 1.00 0.52 O ATOM 1113 CB LEU A 71 3.644 0.396 -4.452 1.00 0.51 C ATOM 1114 CG LEU A 71 2.652 0.121 -3.323 1.00 0.63 C ATOM 1115 CD1 LEU A 71 3.350 -0.550 -2.152 1.00 0.98 C ATOM 1116 CD2 LEU A 71 1.981 1.412 -2.878 1.00 0.80 C ATOM 0 H LEU A 71 1.215 -0.584 -5.776 1.00 0.38 H new ATOM 0 HA LEU A 71 3.924 0.206 -6.567 1.00 0.44 H new ATOM 0 HB2 LEU A 71 4.625 0.027 -4.151 1.00 0.51 H new ATOM 0 HB3 LEU A 71 3.735 1.475 -4.580 1.00 0.51 H new ATOM 0 HG LEU A 71 1.883 -0.555 -3.696 1.00 0.63 H new ATOM 0 HD11 LEU A 71 2.628 -0.738 -1.357 1.00 0.98 H new ATOM 0 HD12 LEU A 71 3.783 -1.495 -2.480 1.00 0.98 H new ATOM 0 HD13 LEU A 71 4.140 0.101 -1.778 1.00 0.98 H new ATOM 0 HD21 LEU A 71 1.278 1.198 -2.073 1.00 0.80 H new ATOM 0 HD22 LEU A 71 2.738 2.111 -2.522 1.00 0.80 H new ATOM 0 HD23 LEU A 71 1.446 1.853 -3.719 1.00 0.80 H new ATOM 1128 N ILE A 72 4.734 -2.146 -6.082 1.00 0.39 N ATOM 1129 CA ILE A 72 5.070 -3.562 -6.077 1.00 0.39 C ATOM 1130 C ILE A 72 6.157 -3.864 -5.051 1.00 0.36 C ATOM 1131 O ILE A 72 7.264 -3.320 -5.118 1.00 0.38 O ATOM 1132 CB ILE A 72 5.532 -4.044 -7.464 1.00 0.42 C ATOM 1133 CG1 ILE A 72 5.704 -5.565 -7.471 1.00 0.44 C ATOM 1134 CG2 ILE A 72 6.825 -3.352 -7.856 1.00 0.45 C ATOM 1135 CD1 ILE A 72 6.332 -6.097 -8.741 1.00 1.12 C ATOM 0 H ILE A 72 5.502 -1.527 -6.341 1.00 0.39 H new ATOM 0 HA ILE A 72 4.161 -4.099 -5.808 1.00 0.39 H new ATOM 0 HB ILE A 72 4.769 -3.786 -8.198 1.00 0.42 H new ATOM 0 HG12 ILE A 72 6.321 -5.857 -6.621 1.00 0.44 H new ATOM 0 HG13 ILE A 72 4.729 -6.033 -7.334 1.00 0.44 H new ATOM 0 HG21 ILE A 72 7.141 -3.702 -8.839 1.00 0.45 H new ATOM 0 HG22 ILE A 72 6.666 -2.274 -7.888 1.00 0.45 H new ATOM 0 HG23 ILE A 72 7.598 -3.583 -7.123 1.00 0.45 H new ATOM 0 HD11 ILE A 72 6.423 -7.181 -8.675 1.00 1.12 H new ATOM 0 HD12 ILE A 72 5.705 -5.836 -9.594 1.00 1.12 H new ATOM 0 HD13 ILE A 72 7.321 -5.657 -8.870 1.00 1.12 H new ATOM 1147 N MET A 73 5.828 -4.732 -4.100 1.00 0.36 N ATOM 1148 CA MET A 73 6.762 -5.117 -3.050 1.00 0.36 C ATOM 1149 C MET A 73 6.953 -6.629 -3.025 1.00 0.33 C ATOM 1150 O MET A 73 5.983 -7.385 -3.056 1.00 0.43 O ATOM 1151 CB MET A 73 6.255 -4.637 -1.689 1.00 0.43 C ATOM 1152 CG MET A 73 4.840 -5.094 -1.375 1.00 0.83 C ATOM 1153 SD MET A 73 4.725 -5.961 0.202 1.00 1.86 S ATOM 1154 CE MET A 73 4.204 -4.629 1.279 1.00 2.56 C ATOM 0 H MET A 73 4.916 -5.184 -4.036 1.00 0.36 H new ATOM 0 HA MET A 73 7.723 -4.647 -3.260 1.00 0.36 H new ATOM 0 HB2 MET A 73 6.927 -5.000 -0.911 1.00 0.43 H new ATOM 0 HB3 MET A 73 6.292 -3.548 -1.660 1.00 0.43 H new ATOM 0 HG2 MET A 73 4.178 -4.228 -1.359 1.00 0.83 H new ATOM 0 HG3 MET A 73 4.488 -5.749 -2.172 1.00 0.83 H new ATOM 0 HE1 MET A 73 4.822 -4.624 2.177 1.00 2.56 H new ATOM 0 HE2 MET A 73 4.312 -3.677 0.759 1.00 2.56 H new ATOM 0 HE3 MET A 73 3.160 -4.774 1.558 1.00 2.56 H new ATOM 1164 N GLU A 74 8.206 -7.062 -2.969 1.00 0.33 N ATOM 1165 CA GLU A 74 8.520 -8.486 -2.942 1.00 0.31 C ATOM 1166 C GLU A 74 8.748 -8.969 -1.511 1.00 0.31 C ATOM 1167 O GLU A 74 9.686 -8.535 -0.844 1.00 0.37 O ATOM 1168 CB GLU A 74 9.764 -8.767 -3.793 1.00 0.37 C ATOM 1169 CG GLU A 74 10.310 -10.179 -3.639 1.00 0.41 C ATOM 1170 CD GLU A 74 10.497 -10.883 -4.968 1.00 0.89 C ATOM 1171 OE1 GLU A 74 11.210 -10.335 -5.835 1.00 1.12 O ATOM 1172 OE2 GLU A 74 9.928 -11.980 -5.143 1.00 1.52 O ATOM 0 H GLU A 74 9.021 -6.449 -2.941 1.00 0.33 H new ATOM 0 HA GLU A 74 7.671 -9.029 -3.356 1.00 0.31 H new ATOM 0 HB2 GLU A 74 9.522 -8.594 -4.842 1.00 0.37 H new ATOM 0 HB3 GLU A 74 10.544 -8.055 -3.525 1.00 0.37 H new ATOM 0 HG2 GLU A 74 11.266 -10.139 -3.116 1.00 0.41 H new ATOM 0 HG3 GLU A 74 9.630 -10.761 -3.017 1.00 0.41 H new ATOM 1179 N SER A 75 7.888 -9.873 -1.045 1.00 0.29 N ATOM 1180 CA SER A 75 8.009 -10.413 0.301 1.00 0.33 C ATOM 1181 C SER A 75 7.913 -11.934 0.283 1.00 0.33 C ATOM 1182 O SER A 75 6.817 -12.493 0.265 1.00 0.38 O ATOM 1183 CB SER A 75 6.922 -9.835 1.207 1.00 0.41 C ATOM 1184 OG SER A 75 5.895 -9.223 0.445 1.00 1.32 O ATOM 0 H SER A 75 7.103 -10.244 -1.581 1.00 0.29 H new ATOM 0 HA SER A 75 8.986 -10.130 0.693 1.00 0.33 H new ATOM 0 HB2 SER A 75 6.498 -10.628 1.823 1.00 0.41 H new ATOM 0 HB3 SER A 75 7.361 -9.104 1.886 1.00 0.41 H new ATOM 0 HG SER A 75 5.861 -8.265 0.651 1.00 1.32 H new ATOM 1190 N VAL A 76 9.063 -12.599 0.292 1.00 0.37 N ATOM 1191 CA VAL A 76 9.098 -14.054 0.284 1.00 0.41 C ATOM 1192 C VAL A 76 8.891 -14.600 1.689 1.00 0.43 C ATOM 1193 O VAL A 76 8.197 -15.596 1.888 1.00 0.46 O ATOM 1194 CB VAL A 76 10.426 -14.591 -0.277 1.00 0.48 C ATOM 1195 CG1 VAL A 76 10.624 -14.139 -1.715 1.00 1.54 C ATOM 1196 CG2 VAL A 76 11.591 -14.153 0.596 1.00 1.33 C ATOM 0 H VAL A 76 9.981 -12.154 0.305 1.00 0.37 H new ATOM 0 HA VAL A 76 8.289 -14.390 -0.365 1.00 0.41 H new ATOM 0 HB VAL A 76 10.387 -15.680 -0.269 1.00 0.48 H new ATOM 0 HG11 VAL A 76 11.569 -14.530 -2.092 1.00 1.54 H new ATOM 0 HG12 VAL A 76 9.805 -14.513 -2.330 1.00 1.54 H new ATOM 0 HG13 VAL A 76 10.640 -13.050 -1.755 1.00 1.54 H new ATOM 0 HG21 VAL A 76 12.522 -14.542 0.183 1.00 1.33 H new ATOM 0 HG22 VAL A 76 11.635 -13.064 0.625 1.00 1.33 H new ATOM 0 HG23 VAL A 76 11.453 -14.538 1.606 1.00 1.33 H new ATOM 1206 N VAL A 77 9.494 -13.931 2.665 1.00 0.45 N ATOM 1207 CA VAL A 77 9.373 -14.340 4.059 1.00 0.49 C ATOM 1208 C VAL A 77 8.191 -13.647 4.736 1.00 0.45 C ATOM 1209 O VAL A 77 7.397 -14.296 5.417 1.00 0.47 O ATOM 1210 CB VAL A 77 10.657 -14.044 4.859 1.00 0.57 C ATOM 1211 CG1 VAL A 77 10.709 -14.901 6.115 1.00 0.80 C ATOM 1212 CG2 VAL A 77 11.894 -14.274 4.002 1.00 0.77 C ATOM 0 H VAL A 77 10.071 -13.103 2.517 1.00 0.45 H new ATOM 0 HA VAL A 77 9.207 -15.417 4.052 1.00 0.49 H new ATOM 0 HB VAL A 77 10.641 -12.995 5.156 1.00 0.57 H new ATOM 0 HG11 VAL A 77 11.622 -14.680 6.669 1.00 0.80 H new ATOM 0 HG12 VAL A 77 9.843 -14.683 6.740 1.00 0.80 H new ATOM 0 HG13 VAL A 77 10.699 -15.955 5.837 1.00 0.80 H new ATOM 0 HG21 VAL A 77 12.788 -14.059 4.588 1.00 0.77 H new ATOM 0 HG22 VAL A 77 11.919 -15.312 3.670 1.00 0.77 H new ATOM 0 HG23 VAL A 77 11.862 -13.616 3.133 1.00 0.77 H new ATOM 1222 N PRO A 78 8.046 -12.321 4.554 1.00 0.43 N ATOM 1223 CA PRO A 78 6.940 -11.565 5.153 1.00 0.41 C ATOM 1224 C PRO A 78 5.582 -12.097 4.715 1.00 0.35 C ATOM 1225 O PRO A 78 4.571 -11.864 5.378 1.00 0.34 O ATOM 1226 CB PRO A 78 7.145 -10.138 4.631 1.00 0.42 C ATOM 1227 CG PRO A 78 8.579 -10.077 4.238 1.00 0.48 C ATOM 1228 CD PRO A 78 8.927 -11.454 3.755 1.00 0.46 C ATOM 0 HA PRO A 78 6.945 -11.634 6.241 1.00 0.41 H new ATOM 0 HB2 PRO A 78 6.493 -9.930 3.782 1.00 0.42 H new ATOM 0 HB3 PRO A 78 6.914 -9.399 5.399 1.00 0.42 H new ATOM 0 HG2 PRO A 78 8.739 -9.336 3.455 1.00 0.48 H new ATOM 0 HG3 PRO A 78 9.205 -9.789 5.083 1.00 0.48 H new ATOM 0 HD2 PRO A 78 8.741 -11.565 2.687 1.00 0.46 H new ATOM 0 HD3 PRO A 78 9.979 -11.686 3.921 1.00 0.46 H new ATOM 1236 N SER A 79 5.563 -12.816 3.593 1.00 0.34 N ATOM 1237 CA SER A 79 4.325 -13.379 3.074 1.00 0.34 C ATOM 1238 C SER A 79 3.612 -14.196 4.148 1.00 0.38 C ATOM 1239 O SER A 79 2.396 -14.384 4.093 1.00 0.39 O ATOM 1240 CB SER A 79 4.610 -14.258 1.856 1.00 0.39 C ATOM 1241 OG SER A 79 3.433 -14.480 1.098 1.00 1.13 O ATOM 0 H SER A 79 6.389 -13.020 3.031 1.00 0.34 H new ATOM 0 HA SER A 79 3.677 -12.556 2.774 1.00 0.34 H new ATOM 0 HB2 SER A 79 5.365 -13.783 1.230 1.00 0.39 H new ATOM 0 HB3 SER A 79 5.022 -15.213 2.182 1.00 0.39 H new ATOM 0 HG SER A 79 3.644 -15.044 0.324 1.00 1.13 H new ATOM 1247 N ASP A 80 4.375 -14.673 5.128 1.00 0.43 N ATOM 1248 CA ASP A 80 3.809 -15.460 6.215 1.00 0.50 C ATOM 1249 C ASP A 80 2.662 -14.706 6.872 1.00 0.42 C ATOM 1250 O ASP A 80 1.697 -15.306 7.344 1.00 0.47 O ATOM 1251 CB ASP A 80 4.885 -15.787 7.253 1.00 0.62 C ATOM 1252 CG ASP A 80 4.498 -16.955 8.139 1.00 1.27 C ATOM 1253 OD1 ASP A 80 4.078 -17.999 7.595 1.00 2.02 O ATOM 1254 OD2 ASP A 80 4.615 -16.825 9.375 1.00 1.69 O ATOM 0 H ASP A 80 5.383 -14.528 5.190 1.00 0.43 H new ATOM 0 HA ASP A 80 3.425 -16.393 5.802 1.00 0.50 H new ATOM 0 HB2 ASP A 80 5.821 -16.016 6.743 1.00 0.62 H new ATOM 0 HB3 ASP A 80 5.067 -14.909 7.873 1.00 0.62 H new ATOM 1259 N LYS A 81 2.773 -13.381 6.886 1.00 0.38 N ATOM 1260 CA LYS A 81 1.744 -12.534 7.472 1.00 0.33 C ATOM 1261 C LYS A 81 0.889 -11.907 6.378 1.00 0.26 C ATOM 1262 O LYS A 81 1.359 -11.068 5.610 1.00 0.27 O ATOM 1263 CB LYS A 81 2.381 -11.439 8.333 1.00 0.40 C ATOM 1264 CG LYS A 81 3.609 -10.805 7.701 1.00 0.91 C ATOM 1265 CD LYS A 81 4.143 -9.666 8.552 1.00 1.02 C ATOM 1266 CE LYS A 81 5.348 -9.004 7.905 1.00 0.87 C ATOM 1267 NZ LYS A 81 6.613 -9.724 8.222 1.00 1.23 N ATOM 0 H LYS A 81 3.567 -12.872 6.497 1.00 0.38 H new ATOM 0 HA LYS A 81 1.107 -13.152 8.105 1.00 0.33 H new ATOM 0 HB2 LYS A 81 1.640 -10.663 8.526 1.00 0.40 H new ATOM 0 HB3 LYS A 81 2.657 -11.862 9.299 1.00 0.40 H new ATOM 0 HG2 LYS A 81 4.385 -11.560 7.572 1.00 0.91 H new ATOM 0 HG3 LYS A 81 3.358 -10.433 6.708 1.00 0.91 H new ATOM 0 HD2 LYS A 81 3.358 -8.925 8.704 1.00 1.02 H new ATOM 0 HD3 LYS A 81 4.419 -10.044 9.536 1.00 1.02 H new ATOM 0 HE2 LYS A 81 5.209 -8.973 6.824 1.00 0.87 H new ATOM 0 HE3 LYS A 81 5.422 -7.972 8.247 1.00 0.87 H new ATOM 0 HZ1 LYS A 81 7.350 -9.446 7.543 1.00 1.23 H new ATOM 0 HZ2 LYS A 81 6.920 -9.479 9.185 1.00 1.23 H new ATOM 0 HZ3 LYS A 81 6.454 -10.750 8.160 1.00 1.23 H new ATOM 1281 N GLY A 82 -0.370 -12.324 6.310 1.00 0.24 N ATOM 1282 CA GLY A 82 -1.271 -11.799 5.302 1.00 0.24 C ATOM 1283 C GLY A 82 -2.157 -10.689 5.834 1.00 0.28 C ATOM 1284 O GLY A 82 -3.381 -10.752 5.733 1.00 0.53 O ATOM 0 H GLY A 82 -0.783 -13.016 6.935 1.00 0.24 H new ATOM 0 HA2 GLY A 82 -0.689 -11.423 4.460 1.00 0.24 H new ATOM 0 HA3 GLY A 82 -1.896 -12.607 4.922 1.00 0.24 H new ATOM 1288 N ASN A 83 -1.531 -9.654 6.373 1.00 0.23 N ATOM 1289 CA ASN A 83 -2.260 -8.505 6.889 1.00 0.28 C ATOM 1290 C ASN A 83 -1.725 -7.230 6.249 1.00 0.30 C ATOM 1291 O ASN A 83 -0.595 -6.824 6.518 1.00 0.36 O ATOM 1292 CB ASN A 83 -2.132 -8.425 8.409 1.00 0.40 C ATOM 1293 CG ASN A 83 -3.146 -7.482 9.026 1.00 0.82 C ATOM 1294 OD1 ASN A 83 -3.681 -6.601 8.353 1.00 1.63 O ATOM 1295 ND2 ASN A 83 -3.413 -7.662 10.314 1.00 0.96 N ATOM 0 H ASN A 83 -0.517 -9.586 6.465 1.00 0.23 H new ATOM 0 HA ASN A 83 -3.315 -8.617 6.640 1.00 0.28 H new ATOM 0 HB2 ASN A 83 -2.260 -9.420 8.834 1.00 0.40 H new ATOM 0 HB3 ASN A 83 -1.127 -8.094 8.669 1.00 0.40 H new ATOM 0 HD21 ASN A 83 -4.086 -7.057 10.785 1.00 0.96 H new ATOM 0 HD22 ASN A 83 -2.945 -8.405 10.833 1.00 0.96 H new ATOM 1302 N TYR A 84 -2.526 -6.604 5.397 1.00 0.33 N ATOM 1303 CA TYR A 84 -2.098 -5.384 4.722 1.00 0.40 C ATOM 1304 C TYR A 84 -2.900 -4.178 5.188 1.00 0.35 C ATOM 1305 O TYR A 84 -4.130 -4.174 5.131 1.00 0.44 O ATOM 1306 CB TYR A 84 -2.225 -5.540 3.205 1.00 0.57 C ATOM 1307 CG TYR A 84 -1.268 -6.551 2.602 1.00 1.17 C ATOM 1308 CD1 TYR A 84 -0.242 -7.118 3.353 1.00 1.96 C ATOM 1309 CD2 TYR A 84 -1.395 -6.937 1.276 1.00 1.74 C ATOM 1310 CE1 TYR A 84 0.624 -8.040 2.798 1.00 2.76 C ATOM 1311 CE2 TYR A 84 -0.534 -7.859 0.714 1.00 2.46 C ATOM 1312 CZ TYR A 84 0.475 -8.408 1.479 1.00 2.86 C ATOM 1313 OH TYR A 84 1.336 -9.326 0.924 1.00 3.72 O ATOM 0 H TYR A 84 -3.467 -6.916 5.158 1.00 0.33 H new ATOM 0 HA TYR A 84 -1.052 -5.215 4.979 1.00 0.40 H new ATOM 0 HB2 TYR A 84 -3.246 -5.836 2.966 1.00 0.57 H new ATOM 0 HB3 TYR A 84 -2.055 -4.571 2.736 1.00 0.57 H new ATOM 0 HD1 TYR A 84 -0.121 -6.832 4.387 1.00 1.96 H new ATOM 0 HD2 TYR A 84 -2.181 -6.509 0.672 1.00 1.74 H new ATOM 0 HE1 TYR A 84 1.414 -8.470 3.395 1.00 2.76 H new ATOM 0 HE2 TYR A 84 -0.650 -8.149 -0.320 1.00 2.46 H new ATOM 0 HH TYR A 84 0.821 -10.025 0.470 1.00 3.72 H new ATOM 1323 N THR A 85 -2.190 -3.151 5.638 1.00 0.32 N ATOM 1324 CA THR A 85 -2.826 -1.931 6.102 1.00 0.33 C ATOM 1325 C THR A 85 -2.279 -0.722 5.350 1.00 0.29 C ATOM 1326 O THR A 85 -1.080 -0.441 5.398 1.00 0.31 O ATOM 1327 CB THR A 85 -2.618 -1.723 7.614 1.00 0.45 C ATOM 1328 OG1 THR A 85 -2.590 -2.987 8.284 1.00 1.14 O ATOM 1329 CG2 THR A 85 -3.725 -0.858 8.198 1.00 1.00 C ATOM 0 H THR A 85 -1.171 -3.142 5.690 1.00 0.32 H new ATOM 0 HA THR A 85 -3.894 -2.031 5.908 1.00 0.33 H new ATOM 0 HB THR A 85 -1.665 -1.215 7.760 1.00 0.45 H new ATOM 0 HG1 THR A 85 -1.717 -3.411 8.146 1.00 1.14 H new ATOM 0 HG21 THR A 85 -3.557 -0.725 9.267 1.00 1.00 H new ATOM 0 HG22 THR A 85 -3.724 0.115 7.706 1.00 1.00 H new ATOM 0 HG23 THR A 85 -4.688 -1.344 8.040 1.00 1.00 H new ATOM 1337 N CYS A 86 -3.160 -0.013 4.656 1.00 0.30 N ATOM 1338 CA CYS A 86 -2.758 1.163 3.894 1.00 0.30 C ATOM 1339 C CYS A 86 -3.220 2.438 4.587 1.00 0.30 C ATOM 1340 O CYS A 86 -4.416 2.725 4.651 1.00 0.31 O ATOM 1341 CB CYS A 86 -3.328 1.103 2.475 1.00 0.36 C ATOM 1342 SG CYS A 86 -2.642 2.357 1.344 1.00 0.65 S ATOM 0 H CYS A 86 -4.155 -0.231 4.605 1.00 0.30 H new ATOM 0 HA CYS A 86 -1.670 1.173 3.836 1.00 0.30 H new ATOM 0 HB2 CYS A 86 -3.139 0.113 2.060 1.00 0.36 H new ATOM 0 HB3 CYS A 86 -4.410 1.226 2.524 1.00 0.36 H new ATOM 1347 N VAL A 87 -2.263 3.207 5.093 1.00 0.29 N ATOM 1348 CA VAL A 87 -2.569 4.458 5.769 1.00 0.30 C ATOM 1349 C VAL A 87 -2.115 5.643 4.930 1.00 0.31 C ATOM 1350 O VAL A 87 -0.922 5.936 4.851 1.00 0.30 O ATOM 1351 CB VAL A 87 -1.897 4.528 7.153 1.00 0.33 C ATOM 1352 CG1 VAL A 87 -2.380 5.749 7.921 1.00 0.94 C ATOM 1353 CG2 VAL A 87 -2.164 3.254 7.938 1.00 0.97 C ATOM 0 H VAL A 87 -1.269 2.984 5.047 1.00 0.29 H new ATOM 0 HA VAL A 87 -3.650 4.499 5.904 1.00 0.30 H new ATOM 0 HB VAL A 87 -0.820 4.622 7.011 1.00 0.33 H new ATOM 0 HG11 VAL A 87 -1.894 5.781 8.896 1.00 0.94 H new ATOM 0 HG12 VAL A 87 -2.132 6.652 7.362 1.00 0.94 H new ATOM 0 HG13 VAL A 87 -3.460 5.690 8.056 1.00 0.94 H new ATOM 0 HG21 VAL A 87 -1.682 3.320 8.913 1.00 0.97 H new ATOM 0 HG22 VAL A 87 -3.238 3.127 8.072 1.00 0.97 H new ATOM 0 HG23 VAL A 87 -1.763 2.400 7.392 1.00 0.97 H new ATOM 1363 N VAL A 88 -3.066 6.320 4.295 1.00 0.32 N ATOM 1364 CA VAL A 88 -2.737 7.464 3.458 1.00 0.33 C ATOM 1365 C VAL A 88 -2.973 8.779 4.191 1.00 0.30 C ATOM 1366 O VAL A 88 -4.108 9.134 4.509 1.00 0.30 O ATOM 1367 CB VAL A 88 -3.568 7.464 2.161 1.00 0.36 C ATOM 1368 CG1 VAL A 88 -3.055 6.405 1.199 1.00 1.45 C ATOM 1369 CG2 VAL A 88 -5.042 7.246 2.471 1.00 1.50 C ATOM 0 H VAL A 88 -4.060 6.098 4.344 1.00 0.32 H new ATOM 0 HA VAL A 88 -1.679 7.376 3.212 1.00 0.33 H new ATOM 0 HB VAL A 88 -3.462 8.438 1.683 1.00 0.36 H new ATOM 0 HG11 VAL A 88 -3.654 6.420 0.289 1.00 1.45 H new ATOM 0 HG12 VAL A 88 -2.014 6.612 0.952 1.00 1.45 H new ATOM 0 HG13 VAL A 88 -3.129 5.423 1.666 1.00 1.45 H new ATOM 0 HG21 VAL A 88 -5.613 7.249 1.543 1.00 1.50 H new ATOM 0 HG22 VAL A 88 -5.170 6.287 2.973 1.00 1.50 H new ATOM 0 HG23 VAL A 88 -5.400 8.046 3.120 1.00 1.50 H new ATOM 1379 N GLU A 89 -1.888 9.496 4.451 1.00 0.32 N ATOM 1380 CA GLU A 89 -1.957 10.776 5.144 1.00 0.32 C ATOM 1381 C GLU A 89 -1.821 11.928 4.158 1.00 0.31 C ATOM 1382 O GLU A 89 -1.101 11.827 3.164 1.00 0.32 O ATOM 1383 CB GLU A 89 -0.866 10.867 6.210 1.00 0.37 C ATOM 1384 CG GLU A 89 -1.194 11.837 7.331 1.00 0.43 C ATOM 1385 CD GLU A 89 -0.178 12.958 7.451 1.00 0.83 C ATOM 1386 OE1 GLU A 89 1.025 12.695 7.236 1.00 1.33 O ATOM 1387 OE2 GLU A 89 -0.585 14.098 7.758 1.00 1.46 O ATOM 0 H GLU A 89 -0.944 9.211 4.191 1.00 0.32 H new ATOM 0 HA GLU A 89 -2.930 10.847 5.631 1.00 0.32 H new ATOM 0 HB2 GLU A 89 -0.700 9.877 6.634 1.00 0.37 H new ATOM 0 HB3 GLU A 89 0.068 11.172 5.738 1.00 0.37 H new ATOM 0 HG2 GLU A 89 -2.182 12.264 7.159 1.00 0.43 H new ATOM 0 HG3 GLU A 89 -1.242 11.293 8.274 1.00 0.43 H new ATOM 1394 N ASN A 90 -2.490 13.035 4.454 1.00 0.33 N ATOM 1395 CA ASN A 90 -2.419 14.224 3.615 1.00 0.36 C ATOM 1396 C ASN A 90 -2.497 15.479 4.481 1.00 0.43 C ATOM 1397 O ASN A 90 -2.558 15.391 5.709 1.00 0.39 O ATOM 1398 CB ASN A 90 -3.524 14.229 2.551 1.00 0.37 C ATOM 1399 CG ASN A 90 -4.733 13.393 2.941 1.00 0.52 C ATOM 1400 OD1 ASN A 90 -4.739 12.174 2.771 1.00 1.54 O ATOM 1401 ND2 ASN A 90 -5.762 14.047 3.466 1.00 0.86 N ATOM 0 H ASN A 90 -3.090 13.134 5.273 1.00 0.33 H new ATOM 0 HA ASN A 90 -1.463 14.213 3.091 1.00 0.36 H new ATOM 0 HB2 ASN A 90 -3.843 15.256 2.372 1.00 0.37 H new ATOM 0 HB3 ASN A 90 -3.118 13.853 1.612 1.00 0.37 H new ATOM 0 HD21 ASN A 90 -6.600 13.538 3.746 1.00 0.86 H new ATOM 0 HD22 ASN A 90 -5.714 15.058 3.589 1.00 0.86 H new ATOM 1408 N GLU A 91 -2.521 16.642 3.842 1.00 0.57 N ATOM 1409 CA GLU A 91 -2.615 17.907 4.566 1.00 0.66 C ATOM 1410 C GLU A 91 -4.000 18.068 5.202 1.00 0.68 C ATOM 1411 O GLU A 91 -4.189 18.900 6.088 1.00 0.75 O ATOM 1412 CB GLU A 91 -2.315 19.084 3.615 1.00 0.76 C ATOM 1413 CG GLU A 91 -2.844 20.436 4.086 1.00 1.15 C ATOM 1414 CD GLU A 91 -2.029 21.598 3.553 1.00 1.72 C ATOM 1415 OE1 GLU A 91 -2.331 22.072 2.438 1.00 2.34 O ATOM 1416 OE2 GLU A 91 -1.091 22.035 4.251 1.00 2.24 O ATOM 0 H GLU A 91 -2.477 16.737 2.827 1.00 0.57 H new ATOM 0 HA GLU A 91 -1.875 17.905 5.366 1.00 0.66 H new ATOM 0 HB2 GLU A 91 -1.236 19.158 3.480 1.00 0.76 H new ATOM 0 HB3 GLU A 91 -2.744 18.862 2.638 1.00 0.76 H new ATOM 0 HG2 GLU A 91 -3.880 20.548 3.768 1.00 1.15 H new ATOM 0 HG3 GLU A 91 -2.841 20.464 5.176 1.00 1.15 H new ATOM 1423 N TYR A 92 -4.969 17.288 4.730 1.00 0.64 N ATOM 1424 CA TYR A 92 -6.330 17.376 5.243 1.00 0.68 C ATOM 1425 C TYR A 92 -6.670 16.246 6.216 1.00 0.60 C ATOM 1426 O TYR A 92 -7.753 16.244 6.800 1.00 0.63 O ATOM 1427 CB TYR A 92 -7.328 17.372 4.083 1.00 0.75 C ATOM 1428 CG TYR A 92 -7.741 18.759 3.641 1.00 1.12 C ATOM 1429 CD1 TYR A 92 -6.858 19.583 2.955 1.00 1.64 C ATOM 1430 CD2 TYR A 92 -9.015 19.241 3.910 1.00 1.54 C ATOM 1431 CE1 TYR A 92 -7.234 20.847 2.546 1.00 2.10 C ATOM 1432 CE2 TYR A 92 -9.398 20.505 3.505 1.00 2.05 C ATOM 1433 CZ TYR A 92 -8.496 21.310 2.835 1.00 2.19 C ATOM 1434 OH TYR A 92 -8.885 22.564 2.419 1.00 2.77 O ATOM 0 H TYR A 92 -4.837 16.592 3.997 1.00 0.64 H new ATOM 0 HA TYR A 92 -6.400 18.312 5.796 1.00 0.68 H new ATOM 0 HB2 TYR A 92 -6.888 16.845 3.237 1.00 0.75 H new ATOM 0 HB3 TYR A 92 -8.216 16.814 4.379 1.00 0.75 H new ATOM 0 HD1 TYR A 92 -5.861 19.229 2.738 1.00 1.64 H new ATOM 0 HD2 TYR A 92 -9.717 18.618 4.444 1.00 1.54 H new ATOM 0 HE1 TYR A 92 -6.540 21.470 2.001 1.00 2.10 H new ATOM 0 HE2 TYR A 92 -10.396 20.862 3.711 1.00 2.05 H new ATOM 0 HH TYR A 92 -9.807 22.732 2.706 1.00 2.77 H new ATOM 1444 N GLY A 93 -5.763 15.292 6.401 1.00 0.52 N ATOM 1445 CA GLY A 93 -6.053 14.202 7.321 1.00 0.47 C ATOM 1446 C GLY A 93 -5.359 12.901 6.971 1.00 0.40 C ATOM 1447 O GLY A 93 -4.725 12.781 5.923 1.00 0.40 O ATOM 0 H GLY A 93 -4.852 15.251 5.943 1.00 0.52 H new ATOM 0 HA2 GLY A 93 -5.758 14.501 8.327 1.00 0.47 H new ATOM 0 HA3 GLY A 93 -7.130 14.034 7.342 1.00 0.47 H new ATOM 1451 N SER A 94 -5.498 11.918 7.859 1.00 0.38 N ATOM 1452 CA SER A 94 -4.904 10.603 7.658 1.00 0.34 C ATOM 1453 C SER A 94 -5.959 9.510 7.786 1.00 0.34 C ATOM 1454 O SER A 94 -6.713 9.470 8.758 1.00 0.38 O ATOM 1455 CB SER A 94 -3.780 10.364 8.669 1.00 0.35 C ATOM 1456 OG SER A 94 -3.379 11.576 9.285 1.00 1.04 O ATOM 0 H SER A 94 -6.021 12.012 8.730 1.00 0.38 H new ATOM 0 HA SER A 94 -4.487 10.569 6.651 1.00 0.34 H new ATOM 0 HB2 SER A 94 -4.116 9.660 9.430 1.00 0.35 H new ATOM 0 HB3 SER A 94 -2.927 9.908 8.167 1.00 0.35 H new ATOM 0 HG SER A 94 -2.640 11.400 9.904 1.00 1.04 H new ATOM 1462 N ILE A 95 -6.017 8.636 6.788 1.00 0.32 N ATOM 1463 CA ILE A 95 -6.992 7.548 6.774 1.00 0.34 C ATOM 1464 C ILE A 95 -6.312 6.192 6.931 1.00 0.31 C ATOM 1465 O ILE A 95 -5.149 6.021 6.565 1.00 0.29 O ATOM 1466 CB ILE A 95 -7.831 7.537 5.469 1.00 0.38 C ATOM 1467 CG1 ILE A 95 -7.645 8.845 4.676 1.00 0.41 C ATOM 1468 CG2 ILE A 95 -9.300 7.308 5.798 1.00 0.44 C ATOM 1469 CD1 ILE A 95 -8.654 9.041 3.562 1.00 0.47 C ATOM 0 H ILE A 95 -5.400 8.658 5.976 1.00 0.32 H new ATOM 0 HA ILE A 95 -7.657 7.724 7.620 1.00 0.34 H new ATOM 0 HB ILE A 95 -7.479 6.719 4.840 1.00 0.38 H new ATOM 0 HG12 ILE A 95 -7.711 9.687 5.364 1.00 0.41 H new ATOM 0 HG13 ILE A 95 -6.642 8.860 4.250 1.00 0.41 H new ATOM 0 HG21 ILE A 95 -9.882 7.302 4.877 1.00 0.44 H new ATOM 0 HG22 ILE A 95 -9.414 6.350 6.306 1.00 0.44 H new ATOM 0 HG23 ILE A 95 -9.656 8.108 6.447 1.00 0.44 H new ATOM 0 HD11 ILE A 95 -8.455 9.984 3.053 1.00 0.47 H new ATOM 0 HD12 ILE A 95 -8.574 8.220 2.850 1.00 0.47 H new ATOM 0 HD13 ILE A 95 -9.660 9.060 3.981 1.00 0.47 H new ATOM 1481 N ASN A 96 -7.047 5.229 7.480 1.00 0.34 N ATOM 1482 CA ASN A 96 -6.519 3.884 7.691 1.00 0.34 C ATOM 1483 C ASN A 96 -7.371 2.844 6.966 1.00 0.34 C ATOM 1484 O ASN A 96 -8.600 2.885 7.027 1.00 0.38 O ATOM 1485 CB ASN A 96 -6.463 3.568 9.187 1.00 0.38 C ATOM 1486 CG ASN A 96 -6.015 4.758 10.012 1.00 1.12 C ATOM 1487 OD1 ASN A 96 -4.898 4.786 10.529 1.00 2.04 O ATOM 1488 ND2 ASN A 96 -6.885 5.753 10.138 1.00 1.12 N ATOM 0 H ASN A 96 -8.011 5.355 7.787 1.00 0.34 H new ATOM 0 HA ASN A 96 -5.510 3.846 7.281 1.00 0.34 H new ATOM 0 HB2 ASN A 96 -7.448 3.245 9.525 1.00 0.38 H new ATOM 0 HB3 ASN A 96 -5.780 2.735 9.354 1.00 0.38 H new ATOM 0 HD21 ASN A 96 -6.638 6.581 10.680 1.00 1.12 H new ATOM 0 HD22 ASN A 96 -7.801 5.689 9.693 1.00 1.12 H new ATOM 1495 N HIS A 97 -6.710 1.913 6.284 1.00 0.32 N ATOM 1496 CA HIS A 97 -7.409 0.861 5.548 1.00 0.34 C ATOM 1497 C HIS A 97 -6.762 -0.505 5.788 1.00 0.33 C ATOM 1498 O HIS A 97 -5.543 -0.638 5.717 1.00 0.33 O ATOM 1499 CB HIS A 97 -7.415 1.177 4.052 1.00 0.36 C ATOM 1500 CG HIS A 97 -7.912 2.553 3.733 1.00 0.43 C ATOM 1501 ND1 HIS A 97 -9.133 3.030 4.165 1.00 1.25 N ATOM 1502 CD2 HIS A 97 -7.346 3.557 3.022 1.00 1.06 C ATOM 1503 CE1 HIS A 97 -9.297 4.267 3.731 1.00 1.06 C ATOM 1504 NE2 HIS A 97 -8.228 4.610 3.036 1.00 0.85 N ATOM 0 H HIS A 97 -5.693 1.864 6.225 1.00 0.32 H new ATOM 0 HA HIS A 97 -8.436 0.822 5.912 1.00 0.34 H new ATOM 0 HB2 HIS A 97 -6.404 1.065 3.661 1.00 0.36 H new ATOM 0 HB3 HIS A 97 -8.038 0.446 3.537 1.00 0.36 H new ATOM 0 HD1 HIS A 97 -9.803 2.509 4.730 1.00 1.25 H new ATOM 0 HD2 HIS A 97 -6.382 3.534 2.535 1.00 1.06 H new ATOM 0 HE1 HIS A 97 -10.159 4.892 3.914 1.00 1.06 H new ATOM 1513 N THR A 98 -7.585 -1.513 6.067 1.00 0.35 N ATOM 1514 CA THR A 98 -7.083 -2.866 6.310 1.00 0.35 C ATOM 1515 C THR A 98 -7.520 -3.820 5.198 1.00 0.35 C ATOM 1516 O THR A 98 -8.582 -3.640 4.599 1.00 0.36 O ATOM 1517 CB THR A 98 -7.575 -3.411 7.664 1.00 0.38 C ATOM 1518 OG1 THR A 98 -8.107 -2.344 8.460 1.00 1.33 O ATOM 1519 CG2 THR A 98 -6.439 -4.088 8.416 1.00 1.36 C ATOM 0 H THR A 98 -8.599 -1.421 6.131 1.00 0.35 H new ATOM 0 HA THR A 98 -5.995 -2.805 6.326 1.00 0.35 H new ATOM 0 HB THR A 98 -8.357 -4.146 7.472 1.00 0.38 H new ATOM 0 HG1 THR A 98 -8.419 -2.700 9.318 1.00 1.33 H new ATOM 0 HG21 THR A 98 -6.808 -4.466 9.370 1.00 1.36 H new ATOM 0 HG22 THR A 98 -6.053 -4.917 7.822 1.00 1.36 H new ATOM 0 HG23 THR A 98 -5.641 -3.367 8.596 1.00 1.36 H new ATOM 1527 N TYR A 99 -6.692 -4.824 4.911 1.00 0.39 N ATOM 1528 CA TYR A 99 -7.001 -5.785 3.853 1.00 0.42 C ATOM 1529 C TYR A 99 -6.681 -7.223 4.272 1.00 0.42 C ATOM 1530 O TYR A 99 -5.627 -7.496 4.845 1.00 0.45 O ATOM 1531 CB TYR A 99 -6.235 -5.409 2.588 1.00 0.53 C ATOM 1532 CG TYR A 99 -6.403 -3.953 2.214 1.00 0.57 C ATOM 1533 CD1 TYR A 99 -7.596 -3.491 1.674 1.00 0.73 C ATOM 1534 CD2 TYR A 99 -5.374 -3.041 2.409 1.00 0.85 C ATOM 1535 CE1 TYR A 99 -7.760 -2.162 1.339 1.00 0.81 C ATOM 1536 CE2 TYR A 99 -5.529 -1.708 2.076 1.00 0.96 C ATOM 1537 CZ TYR A 99 -6.726 -1.275 1.541 1.00 0.81 C ATOM 1538 OH TYR A 99 -6.885 0.051 1.209 1.00 0.96 O ATOM 0 H TYR A 99 -5.809 -4.992 5.392 1.00 0.39 H new ATOM 0 HA TYR A 99 -8.073 -5.744 3.658 1.00 0.42 H new ATOM 0 HB2 TYR A 99 -5.176 -5.623 2.733 1.00 0.53 H new ATOM 0 HB3 TYR A 99 -6.576 -6.034 1.762 1.00 0.53 H new ATOM 0 HD1 TYR A 99 -8.409 -4.183 1.513 1.00 0.73 H new ATOM 0 HD2 TYR A 99 -4.437 -3.378 2.828 1.00 0.85 H new ATOM 0 HE1 TYR A 99 -8.695 -1.819 0.920 1.00 0.81 H new ATOM 0 HE2 TYR A 99 -4.720 -1.010 2.233 1.00 0.96 H new ATOM 0 HH TYR A 99 -7.827 0.302 1.308 1.00 0.96 H new ATOM 1548 N HIS A 100 -7.618 -8.132 3.997 1.00 0.41 N ATOM 1549 CA HIS A 100 -7.453 -9.540 4.364 1.00 0.44 C ATOM 1550 C HIS A 100 -6.724 -10.356 3.289 1.00 0.42 C ATOM 1551 O HIS A 100 -7.301 -10.752 2.254 1.00 0.45 O ATOM 1552 CB HIS A 100 -8.804 -10.177 4.675 1.00 0.53 C ATOM 1553 CG HIS A 100 -9.626 -9.395 5.652 1.00 0.82 C ATOM 1554 ND1 HIS A 100 -9.456 -9.481 7.018 1.00 1.39 N ATOM 1555 CD2 HIS A 100 -10.630 -8.508 5.455 1.00 1.62 C ATOM 1556 CE1 HIS A 100 -10.319 -8.683 7.619 1.00 1.53 C ATOM 1557 NE2 HIS A 100 -11.043 -8.079 6.694 1.00 1.70 N ATOM 0 H HIS A 100 -8.496 -7.920 3.523 1.00 0.41 H new ATOM 0 HA HIS A 100 -6.828 -9.554 5.257 1.00 0.44 H new ATOM 0 HB2 HIS A 100 -9.366 -10.288 3.748 1.00 0.53 H new ATOM 0 HB3 HIS A 100 -8.641 -11.179 5.071 1.00 0.53 H new ATOM 0 HD2 HIS A 100 -11.031 -8.196 4.502 1.00 1.62 H new ATOM 0 HE1 HIS A 100 -10.416 -8.547 8.686 1.00 1.53 H new ATOM 0 HE2 HIS A 100 -11.787 -7.404 6.870 1.00 1.70 H new ATOM 1566 N LEU A 101 -5.451 -10.631 3.578 1.00 0.44 N ATOM 1567 CA LEU A 101 -4.598 -11.415 2.699 1.00 0.45 C ATOM 1568 C LEU A 101 -4.179 -12.718 3.381 1.00 0.48 C ATOM 1569 O LEU A 101 -4.019 -12.770 4.598 1.00 0.53 O ATOM 1570 CB LEU A 101 -3.352 -10.614 2.319 1.00 0.51 C ATOM 1571 CG LEU A 101 -3.607 -9.411 1.409 1.00 1.07 C ATOM 1572 CD1 LEU A 101 -4.331 -9.841 0.145 1.00 1.90 C ATOM 1573 CD2 LEU A 101 -4.402 -8.346 2.147 1.00 1.63 C ATOM 0 H LEU A 101 -4.987 -10.314 4.429 1.00 0.44 H new ATOM 0 HA LEU A 101 -5.163 -11.652 1.797 1.00 0.45 H new ATOM 0 HB2 LEU A 101 -2.872 -10.264 3.233 1.00 0.51 H new ATOM 0 HB3 LEU A 101 -2.647 -11.282 1.824 1.00 0.51 H new ATOM 0 HG LEU A 101 -2.645 -8.985 1.123 1.00 1.07 H new ATOM 0 HD11 LEU A 101 -4.503 -8.971 -0.489 1.00 1.90 H new ATOM 0 HD12 LEU A 101 -3.723 -10.568 -0.393 1.00 1.90 H new ATOM 0 HD13 LEU A 101 -5.287 -10.293 0.409 1.00 1.90 H new ATOM 0 HD21 LEU A 101 -4.575 -7.497 1.485 1.00 1.63 H new ATOM 0 HD22 LEU A 101 -5.359 -8.760 2.463 1.00 1.63 H new ATOM 0 HD23 LEU A 101 -3.843 -8.016 3.022 1.00 1.63 H new ATOM 1585 N ASP A 102 -4.006 -13.768 2.593 1.00 0.50 N ATOM 1586 CA ASP A 102 -3.600 -15.066 3.131 1.00 0.57 C ATOM 1587 C ASP A 102 -2.541 -15.716 2.248 1.00 0.54 C ATOM 1588 O ASP A 102 -2.625 -15.670 1.021 1.00 0.53 O ATOM 1589 CB ASP A 102 -4.807 -15.995 3.286 1.00 0.65 C ATOM 1590 CG ASP A 102 -4.768 -16.785 4.579 1.00 1.31 C ATOM 1591 OD1 ASP A 102 -3.662 -16.963 5.133 1.00 2.34 O ATOM 1592 OD2 ASP A 102 -5.843 -17.227 5.038 1.00 1.38 O ATOM 0 H ASP A 102 -4.139 -13.752 1.582 1.00 0.50 H new ATOM 0 HA ASP A 102 -3.167 -14.896 4.117 1.00 0.57 H new ATOM 0 HB2 ASP A 102 -5.723 -15.405 3.252 1.00 0.65 H new ATOM 0 HB3 ASP A 102 -4.841 -16.685 2.443 1.00 0.65 H new ATOM 1597 N VAL A 103 -1.542 -16.317 2.884 1.00 0.63 N ATOM 1598 CA VAL A 103 -0.459 -16.972 2.162 1.00 0.68 C ATOM 1599 C VAL A 103 -0.882 -18.344 1.648 1.00 0.66 C ATOM 1600 O VAL A 103 -1.444 -19.152 2.388 1.00 0.75 O ATOM 1601 CB VAL A 103 0.788 -17.132 3.051 1.00 0.89 C ATOM 1602 CG1 VAL A 103 0.501 -18.073 4.210 1.00 1.56 C ATOM 1603 CG2 VAL A 103 1.969 -17.628 2.231 1.00 1.60 C ATOM 0 H VAL A 103 -1.460 -16.364 3.900 1.00 0.63 H new ATOM 0 HA VAL A 103 -0.216 -16.333 1.313 1.00 0.68 H new ATOM 0 HB VAL A 103 1.046 -16.156 3.462 1.00 0.89 H new ATOM 0 HG11 VAL A 103 1.394 -18.173 4.827 1.00 1.56 H new ATOM 0 HG12 VAL A 103 -0.313 -17.670 4.813 1.00 1.56 H new ATOM 0 HG13 VAL A 103 0.216 -19.051 3.823 1.00 1.56 H new ATOM 0 HG21 VAL A 103 2.841 -17.735 2.876 1.00 1.60 H new ATOM 0 HG22 VAL A 103 1.725 -18.594 1.788 1.00 1.60 H new ATOM 0 HG23 VAL A 103 2.189 -16.911 1.440 1.00 1.60 H new ATOM 1613 N VAL A 104 -0.598 -18.601 0.374 1.00 0.66 N ATOM 1614 CA VAL A 104 -0.938 -19.875 -0.246 1.00 0.73 C ATOM 1615 C VAL A 104 0.260 -20.448 -0.996 1.00 0.83 C ATOM 1616 O VAL A 104 0.860 -19.774 -1.833 1.00 0.84 O ATOM 1617 CB VAL A 104 -2.120 -19.732 -1.223 1.00 0.86 C ATOM 1618 CG1 VAL A 104 -2.582 -21.098 -1.710 1.00 1.44 C ATOM 1619 CG2 VAL A 104 -3.266 -18.975 -0.571 1.00 1.27 C ATOM 0 H VAL A 104 -0.132 -17.941 -0.249 1.00 0.66 H new ATOM 0 HA VAL A 104 -1.226 -20.553 0.557 1.00 0.73 H new ATOM 0 HB VAL A 104 -1.783 -19.159 -2.087 1.00 0.86 H new ATOM 0 HG11 VAL A 104 -3.418 -20.975 -2.399 1.00 1.44 H new ATOM 0 HG12 VAL A 104 -1.760 -21.599 -2.222 1.00 1.44 H new ATOM 0 HG13 VAL A 104 -2.899 -21.700 -0.858 1.00 1.44 H new ATOM 0 HG21 VAL A 104 -4.091 -18.885 -1.278 1.00 1.27 H new ATOM 0 HG22 VAL A 104 -3.603 -19.516 0.313 1.00 1.27 H new ATOM 0 HG23 VAL A 104 -2.927 -17.981 -0.280 1.00 1.27 H new TER 1629 VAL A 104