USER MOD reduce.3.24.130724 H: found=0, std=0, add=1022, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1025 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 41 MET CE :methyl -148:sc= -5.78! (180deg=-5.28!) USER MOD Set 1.2: A 112 MET CE :methyl -124:sc= -8.78! (180deg=-10.5!) USER MOD Set 2.1: A 53 LYS NZ :NH3+ -178:sc= 0 (180deg=0) USER MOD Set 2.2: A 54 ASN : amide:sc= -0.745 K(o=-0.74,f=-1.7!) USER MOD Set 3.1: A 32 HIS : no HE2:sc= -2.13 K(o=-2.2,f=-4.2!) USER MOD Set 3.2: A 64 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 2 SER OG : rot 2:sc= 0.917 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 138:sc= -4.53! (180deg=-10.4!) USER MOD Single : A 7 HIS : no HD1:sc= -0.922 K(o=-0.91,f=-5.7!) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 ASN : amide:sc= -1.15 K(o=-1.2,f=-7.8!) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= -2.61 K(o=-2.6,f=-8.6!) USER MOD Single : A 20 SER OG : rot 99:sc= 1.18 USER MOD Single : A 37 THR OG1 : rot 152:sc= 0.0853 USER MOD Single : A 38 CYS SG : rot 180:sc= -1.15 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.94) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 30:sc= -0.0179 USER MOD Single : A 70 ASN : amide:sc= -0.245 X(o=-0.24,f=-0.23) USER MOD Single : A 71 LYS NZ :NH3+ -105:sc= 0.0307 (180deg=0) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot -143:sc= 0.523 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot -150:sc= -0.849 USER MOD Single : A 80 THR OG1 : rot -8:sc= 0.798 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= -2.75 K(o=-2.7,f=-6.3) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HD1:sc= -1.18 X(o=-1.2,f=-0.7) USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 97:sc= 0.286 USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 ASN : amide:sc= -0.552 K(o=-0.55,f=-4.5!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -0.249 K(o=-0.25,f=-2.9!) USER MOD Single : A 106 MET CE :methyl -166:sc= -0.0186 (180deg=-0.321) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -0.163 K(o=-0.16,f=-0.98) USER MOD Single : A 118 THR OG1 : rot 180:sc=-0.00067 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 149:sc= 0 (180deg=-0.0614) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -7.690 11.261 -17.008 1.00 0.00 N ATOM 2 CA SER A 2 -8.488 10.915 -15.803 1.00 0.00 C ATOM 3 C SER A 2 -7.715 9.976 -14.881 1.00 0.00 C ATOM 4 O SER A 2 -7.421 8.838 -15.244 1.00 0.00 O ATOM 5 CB SER A 2 -9.793 10.256 -16.255 1.00 0.00 C ATOM 6 OG SER A 2 -9.572 8.920 -16.671 1.00 0.00 O ATOM 0 HA SER A 2 -8.701 11.824 -15.241 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.514 10.271 -15.438 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.228 10.828 -17.074 1.00 0.00 H new ATOM 0 HG SER A 2 -8.626 8.692 -16.551 1.00 0.00 H new ATOM 14 N TYR A 3 -7.389 10.462 -13.689 1.00 0.00 N ATOM 15 CA TYR A 3 -6.651 9.667 -12.715 1.00 0.00 C ATOM 16 C TYR A 3 -7.599 8.805 -11.886 1.00 0.00 C ATOM 17 O TYR A 3 -8.689 9.242 -11.518 1.00 0.00 O ATOM 18 CB TYR A 3 -5.835 10.577 -11.795 1.00 0.00 C ATOM 19 CG TYR A 3 -4.995 11.592 -12.538 1.00 0.00 C ATOM 20 CD1 TYR A 3 -3.799 11.224 -13.142 1.00 0.00 C ATOM 21 CD2 TYR A 3 -5.398 12.918 -12.634 1.00 0.00 C ATOM 22 CE1 TYR A 3 -3.029 12.149 -13.821 1.00 0.00 C ATOM 23 CE2 TYR A 3 -4.633 13.849 -13.311 1.00 0.00 C ATOM 24 CZ TYR A 3 -3.450 13.460 -13.902 1.00 0.00 C ATOM 25 OH TYR A 3 -2.686 14.383 -14.578 1.00 0.00 O ATOM 0 H TYR A 3 -7.624 11.403 -13.374 1.00 0.00 H new ATOM 0 HA TYR A 3 -5.973 9.010 -13.259 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -6.513 11.102 -11.122 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -5.183 9.962 -11.175 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -3.466 10.199 -13.080 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -6.324 13.226 -12.172 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -2.102 11.847 -14.286 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -4.960 14.876 -13.377 1.00 0.00 H new ATOM 0 HH TYR A 3 -3.124 15.259 -14.542 1.00 0.00 H new ATOM 35 N MET A 4 -7.174 7.579 -11.595 1.00 0.00 N ATOM 36 CA MET A 4 -7.986 6.657 -10.810 1.00 0.00 C ATOM 37 C MET A 4 -7.420 6.497 -9.402 1.00 0.00 C ATOM 38 O MET A 4 -8.168 6.404 -8.429 1.00 0.00 O ATOM 39 CB MET A 4 -8.059 5.293 -11.500 1.00 0.00 C ATOM 40 CG MET A 4 -6.702 4.638 -11.700 1.00 0.00 C ATOM 41 SD MET A 4 -6.801 3.114 -12.657 1.00 0.00 S ATOM 42 CE MET A 4 -7.671 3.684 -14.115 1.00 0.00 C ATOM 0 H MET A 4 -6.273 7.202 -11.891 1.00 0.00 H new ATOM 0 HA MET A 4 -8.991 7.072 -10.734 1.00 0.00 H new ATOM 0 HB2 MET A 4 -8.690 4.629 -10.908 1.00 0.00 H new ATOM 0 HB3 MET A 4 -8.542 5.411 -12.470 1.00 0.00 H new ATOM 0 HG2 MET A 4 -6.036 5.337 -12.206 1.00 0.00 H new ATOM 0 HG3 MET A 4 -6.260 4.424 -10.727 1.00 0.00 H new ATOM 0 HE1 MET A 4 -7.218 3.244 -15.004 1.00 0.00 H new ATOM 0 HE2 MET A 4 -8.717 3.384 -14.055 1.00 0.00 H new ATOM 0 HE3 MET A 4 -7.608 4.770 -14.175 1.00 0.00 H new ATOM 52 N LEU A 5 -6.093 6.462 -9.303 1.00 0.00 N ATOM 53 CA LEU A 5 -5.420 6.310 -8.020 1.00 0.00 C ATOM 54 C LEU A 5 -5.961 7.305 -6.990 1.00 0.00 C ATOM 55 O LEU A 5 -5.667 8.498 -7.058 1.00 0.00 O ATOM 56 CB LEU A 5 -3.913 6.510 -8.190 1.00 0.00 C ATOM 57 CG LEU A 5 -3.259 5.626 -9.256 1.00 0.00 C ATOM 58 CD1 LEU A 5 -2.275 6.431 -10.091 1.00 0.00 C ATOM 59 CD2 LEU A 5 -2.565 4.436 -8.609 1.00 0.00 C ATOM 0 H LEU A 5 -5.462 6.537 -10.101 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.614 5.301 -7.656 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -3.726 7.554 -8.441 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.426 6.320 -7.233 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.040 5.251 -9.917 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -1.821 5.785 -10.842 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -2.800 7.248 -10.585 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.497 6.838 -9.445 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -2.106 3.819 -9.381 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.796 4.792 -7.924 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -3.296 3.844 -8.058 1.00 0.00 H new ATOM 71 N PRO A 6 -6.760 6.827 -6.018 1.00 0.00 N ATOM 72 CA PRO A 6 -7.337 7.686 -4.980 1.00 0.00 C ATOM 73 C PRO A 6 -6.318 8.066 -3.910 1.00 0.00 C ATOM 74 O PRO A 6 -5.467 7.259 -3.535 1.00 0.00 O ATOM 75 CB PRO A 6 -8.439 6.814 -4.383 1.00 0.00 C ATOM 76 CG PRO A 6 -7.955 5.418 -4.570 1.00 0.00 C ATOM 77 CD PRO A 6 -7.168 5.417 -5.855 1.00 0.00 C ATOM 0 HA PRO A 6 -7.692 8.635 -5.381 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -8.597 7.041 -3.329 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -9.390 6.975 -4.890 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -7.332 5.106 -3.732 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -8.790 4.720 -4.624 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -6.304 4.755 -5.795 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -7.773 5.076 -6.695 1.00 0.00 H new ATOM 85 N HIS A 7 -6.410 9.298 -3.421 1.00 0.00 N ATOM 86 CA HIS A 7 -5.497 9.783 -2.394 1.00 0.00 C ATOM 87 C HIS A 7 -6.216 9.959 -1.061 1.00 0.00 C ATOM 88 O HIS A 7 -7.442 10.061 -1.014 1.00 0.00 O ATOM 89 CB HIS A 7 -4.867 11.108 -2.825 1.00 0.00 C ATOM 90 CG HIS A 7 -3.768 10.950 -3.830 1.00 0.00 C ATOM 91 ND1 HIS A 7 -3.929 10.273 -5.021 1.00 0.00 N ATOM 92 CD2 HIS A 7 -2.486 11.387 -3.817 1.00 0.00 C ATOM 93 CE1 HIS A 7 -2.794 10.300 -5.697 1.00 0.00 C ATOM 94 NE2 HIS A 7 -1.903 10.970 -4.988 1.00 0.00 N ATOM 0 H HIS A 7 -7.108 9.979 -3.720 1.00 0.00 H new ATOM 0 HA HIS A 7 -4.711 9.039 -2.265 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -5.642 11.750 -3.244 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -4.473 11.617 -1.945 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -2.011 11.957 -3.032 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -2.624 9.851 -6.664 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -0.938 11.149 -5.266 1.00 0.00 H new ATOM 103 N LEU A 8 -5.444 9.996 0.021 1.00 0.00 N ATOM 104 CA LEU A 8 -6.005 10.163 1.357 1.00 0.00 C ATOM 105 C LEU A 8 -5.713 11.559 1.896 1.00 0.00 C ATOM 106 O LEU A 8 -5.141 12.397 1.200 1.00 0.00 O ATOM 107 CB LEU A 8 -5.438 9.105 2.305 1.00 0.00 C ATOM 108 CG LEU A 8 -6.236 7.801 2.374 1.00 0.00 C ATOM 109 CD1 LEU A 8 -5.344 6.652 2.816 1.00 0.00 C ATOM 110 CD2 LEU A 8 -7.422 7.952 3.315 1.00 0.00 C ATOM 0 H LEU A 8 -4.428 9.913 -0.002 1.00 0.00 H new ATOM 0 HA LEU A 8 -7.086 10.038 1.292 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -4.418 8.873 1.998 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.380 9.531 3.307 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.615 7.575 1.377 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.929 5.733 2.859 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.528 6.530 2.103 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.934 6.868 3.803 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.978 7.015 3.352 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.064 8.202 4.314 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -8.074 8.747 2.954 1.00 0.00 H new ATOM 122 N HIS A 9 -6.110 11.804 3.142 1.00 0.00 N ATOM 123 CA HIS A 9 -5.890 13.102 3.771 1.00 0.00 C ATOM 124 C HIS A 9 -5.073 12.958 5.051 1.00 0.00 C ATOM 125 O HIS A 9 -3.874 13.233 5.068 1.00 0.00 O ATOM 126 CB HIS A 9 -7.229 13.776 4.077 1.00 0.00 C ATOM 127 CG HIS A 9 -7.928 14.298 2.860 1.00 0.00 C ATOM 128 ND1 HIS A 9 -7.508 15.417 2.172 1.00 0.00 N ATOM 129 CD2 HIS A 9 -9.025 13.848 2.207 1.00 0.00 C ATOM 130 CE1 HIS A 9 -8.316 15.633 1.150 1.00 0.00 C ATOM 131 NE2 HIS A 9 -9.245 14.694 1.148 1.00 0.00 N ATOM 0 H HIS A 9 -6.584 11.122 3.734 1.00 0.00 H new ATOM 0 HA HIS A 9 -5.328 13.725 3.075 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -7.879 13.061 4.581 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -7.062 14.600 4.771 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -9.617 12.984 2.470 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -8.232 16.440 0.437 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -10.003 14.611 0.470 1.00 0.00 H new ATOM 140 N ASN A 10 -5.731 12.527 6.124 1.00 0.00 N ATOM 141 CA ASN A 10 -5.063 12.350 7.409 1.00 0.00 C ATOM 142 C ASN A 10 -5.330 10.958 7.975 1.00 0.00 C ATOM 143 O ASN A 10 -5.956 10.122 7.324 1.00 0.00 O ATOM 144 CB ASN A 10 -5.533 13.416 8.400 1.00 0.00 C ATOM 145 CG ASN A 10 -7.029 13.363 8.641 1.00 0.00 C ATOM 146 OD1 ASN A 10 -7.747 12.601 7.995 1.00 0.00 O ATOM 147 ND2 ASN A 10 -7.507 14.178 9.575 1.00 0.00 N ATOM 0 H ASN A 10 -6.724 12.294 6.129 1.00 0.00 H new ATOM 0 HA ASN A 10 -3.990 12.457 7.251 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -5.010 13.283 9.347 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -5.263 14.403 8.023 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -8.506 14.188 9.780 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -6.875 14.794 10.087 1.00 0.00 H new ATOM 154 N GLY A 11 -4.850 10.719 9.192 1.00 0.00 N ATOM 155 CA GLY A 11 -5.044 9.428 9.827 1.00 0.00 C ATOM 156 C GLY A 11 -6.507 9.035 9.914 1.00 0.00 C ATOM 157 O GLY A 11 -6.837 7.850 9.935 1.00 0.00 O ATOM 0 H GLY A 11 -4.330 11.397 9.750 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.500 8.667 9.268 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -4.618 9.453 10.830 1.00 0.00 H new ATOM 161 N TRP A 12 -7.385 10.032 9.962 1.00 0.00 N ATOM 162 CA TRP A 12 -8.819 9.782 10.045 1.00 0.00 C ATOM 163 C TRP A 12 -9.312 9.043 8.805 1.00 0.00 C ATOM 164 O TRP A 12 -9.988 8.020 8.909 1.00 0.00 O ATOM 165 CB TRP A 12 -9.579 11.100 10.204 1.00 0.00 C ATOM 166 CG TRP A 12 -9.726 11.533 11.631 1.00 0.00 C ATOM 167 CD1 TRP A 12 -9.457 12.769 12.145 1.00 0.00 C ATOM 168 CD2 TRP A 12 -10.174 10.730 12.729 1.00 0.00 C ATOM 169 NE1 TRP A 12 -9.712 12.784 13.494 1.00 0.00 N ATOM 170 CE2 TRP A 12 -10.153 11.544 13.877 1.00 0.00 C ATOM 171 CE3 TRP A 12 -10.592 9.402 12.854 1.00 0.00 C ATOM 172 CZ2 TRP A 12 -10.534 11.074 15.131 1.00 0.00 C ATOM 173 CZ3 TRP A 12 -10.970 8.936 14.098 1.00 0.00 C ATOM 174 CH2 TRP A 12 -10.939 9.771 15.223 1.00 0.00 C ATOM 0 H TRP A 12 -7.129 11.019 9.945 1.00 0.00 H new ATOM 0 HA TRP A 12 -9.005 9.157 10.918 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -9.060 11.880 9.647 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -10.569 10.996 9.760 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -9.096 13.612 11.574 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -9.593 13.587 14.111 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -10.619 8.751 11.992 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -10.511 11.715 16.000 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -11.295 7.912 14.205 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -11.241 9.377 16.182 1.00 0.00 H new ATOM 185 N GLN A 13 -8.968 9.568 7.634 1.00 0.00 N ATOM 186 CA GLN A 13 -9.374 8.957 6.375 1.00 0.00 C ATOM 187 C GLN A 13 -8.544 7.709 6.085 1.00 0.00 C ATOM 188 O GLN A 13 -9.057 6.719 5.565 1.00 0.00 O ATOM 189 CB GLN A 13 -9.228 9.959 5.227 1.00 0.00 C ATOM 190 CG GLN A 13 -10.363 10.966 5.152 1.00 0.00 C ATOM 191 CD GLN A 13 -11.423 10.575 4.140 1.00 0.00 C ATOM 192 OE1 GLN A 13 -11.234 10.732 2.934 1.00 0.00 O ATOM 193 NE2 GLN A 13 -12.547 10.065 4.628 1.00 0.00 N ATOM 0 H GLN A 13 -8.409 10.415 7.531 1.00 0.00 H new ATOM 0 HA GLN A 13 -10.420 8.665 6.462 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.285 10.494 5.340 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -9.174 9.414 4.285 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.823 11.063 6.135 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.959 11.944 4.891 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -12.661 9.953 5.635 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -13.297 9.785 3.996 1.00 0.00 H new ATOM 202 N VAL A 14 -7.262 7.767 6.425 1.00 0.00 N ATOM 203 CA VAL A 14 -6.361 6.642 6.204 1.00 0.00 C ATOM 204 C VAL A 14 -6.769 5.442 7.051 1.00 0.00 C ATOM 205 O VAL A 14 -6.835 4.315 6.559 1.00 0.00 O ATOM 206 CB VAL A 14 -4.902 7.015 6.528 1.00 0.00 C ATOM 207 CG1 VAL A 14 -3.960 5.887 6.134 1.00 0.00 C ATOM 208 CG2 VAL A 14 -4.513 8.311 5.832 1.00 0.00 C ATOM 0 H VAL A 14 -6.823 8.581 6.855 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.432 6.381 5.148 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.818 7.168 7.604 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.934 6.170 6.371 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.224 4.984 6.684 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.046 5.698 5.064 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.479 8.557 6.073 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.615 8.190 4.754 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.166 9.116 6.170 1.00 0.00 H new ATOM 218 N ASP A 15 -7.041 5.691 8.328 1.00 0.00 N ATOM 219 CA ASP A 15 -7.444 4.632 9.245 1.00 0.00 C ATOM 220 C ASP A 15 -8.732 3.966 8.773 1.00 0.00 C ATOM 221 O ASP A 15 -8.855 2.741 8.798 1.00 0.00 O ATOM 222 CB ASP A 15 -7.634 5.194 10.655 1.00 0.00 C ATOM 223 CG ASP A 15 -7.775 4.102 11.698 1.00 0.00 C ATOM 224 OD1 ASP A 15 -8.781 3.363 11.651 1.00 0.00 O ATOM 225 OD2 ASP A 15 -6.880 3.986 12.561 1.00 0.00 O ATOM 0 H ASP A 15 -6.989 6.618 8.751 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.654 3.882 9.264 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.784 5.827 10.908 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.521 5.828 10.674 1.00 0.00 H new ATOM 230 N GLN A 16 -9.689 4.781 8.339 1.00 0.00 N ATOM 231 CA GLN A 16 -10.967 4.271 7.859 1.00 0.00 C ATOM 232 C GLN A 16 -10.769 3.379 6.638 1.00 0.00 C ATOM 233 O GLN A 16 -11.523 2.430 6.420 1.00 0.00 O ATOM 234 CB GLN A 16 -11.906 5.429 7.515 1.00 0.00 C ATOM 235 CG GLN A 16 -12.834 5.819 8.654 1.00 0.00 C ATOM 236 CD GLN A 16 -12.104 6.507 9.791 1.00 0.00 C ATOM 237 OE1 GLN A 16 -11.034 6.069 10.213 1.00 0.00 O ATOM 238 NE2 GLN A 16 -12.681 7.593 10.293 1.00 0.00 N ATOM 0 H GLN A 16 -9.603 5.797 8.310 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.416 3.675 8.654 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.310 6.296 7.230 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -12.505 5.154 6.647 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.612 6.481 8.273 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -13.332 4.927 9.034 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -13.569 7.921 9.912 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -12.236 8.099 11.059 1.00 0.00 H new ATOM 247 N ALA A 17 -9.750 3.691 5.843 1.00 0.00 N ATOM 248 CA ALA A 17 -9.452 2.918 4.644 1.00 0.00 C ATOM 249 C ALA A 17 -8.965 1.518 5.001 1.00 0.00 C ATOM 250 O ALA A 17 -9.232 0.554 4.282 1.00 0.00 O ATOM 251 CB ALA A 17 -8.415 3.639 3.796 1.00 0.00 C ATOM 0 H ALA A 17 -9.117 4.474 6.008 1.00 0.00 H new ATOM 0 HA ALA A 17 -10.372 2.819 4.067 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.202 3.050 2.904 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -8.800 4.616 3.503 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.499 3.768 4.373 1.00 0.00 H new ATOM 257 N ILE A 18 -8.251 1.412 6.117 1.00 0.00 N ATOM 258 CA ILE A 18 -7.728 0.130 6.571 1.00 0.00 C ATOM 259 C ILE A 18 -8.861 -0.833 6.911 1.00 0.00 C ATOM 260 O ILE A 18 -8.971 -1.910 6.325 1.00 0.00 O ATOM 261 CB ILE A 18 -6.820 0.296 7.806 1.00 0.00 C ATOM 262 CG1 ILE A 18 -5.759 1.367 7.547 1.00 0.00 C ATOM 263 CG2 ILE A 18 -6.167 -1.029 8.166 1.00 0.00 C ATOM 264 CD1 ILE A 18 -4.902 1.088 6.330 1.00 0.00 C ATOM 0 H ILE A 18 -8.022 2.199 6.723 1.00 0.00 H new ATOM 0 HA ILE A 18 -7.138 -0.280 5.751 1.00 0.00 H new ATOM 0 HB ILE A 18 -7.433 0.616 8.648 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.251 2.331 7.421 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -5.116 1.449 8.423 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -5.529 -0.895 9.040 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.938 -1.766 8.389 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.564 -1.377 7.327 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.172 1.888 6.208 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.382 0.139 6.461 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.535 1.035 5.444 1.00 0.00 H new ATOM 276 N LEU A 19 -9.701 -0.437 7.861 1.00 0.00 N ATOM 277 CA LEU A 19 -10.827 -1.265 8.279 1.00 0.00 C ATOM 278 C LEU A 19 -11.835 -1.425 7.145 1.00 0.00 C ATOM 279 O LEU A 19 -12.531 -2.436 7.059 1.00 0.00 O ATOM 280 CB LEU A 19 -11.511 -0.651 9.502 1.00 0.00 C ATOM 281 CG LEU A 19 -10.845 -0.967 10.842 1.00 0.00 C ATOM 282 CD1 LEU A 19 -9.670 -0.032 11.087 1.00 0.00 C ATOM 283 CD2 LEU A 19 -11.854 -0.865 11.975 1.00 0.00 C ATOM 0 H LEU A 19 -9.624 0.451 8.356 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.444 -2.251 8.542 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.544 0.431 9.376 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -12.543 -0.999 9.535 1.00 0.00 H new ATOM 0 HG LEU A 19 -10.469 -1.989 10.808 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -9.208 -0.271 12.045 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.936 -0.153 10.290 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -10.023 0.999 11.102 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -11.363 -1.093 12.921 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -12.260 0.146 12.011 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -12.664 -1.575 11.806 1.00 0.00 H new ATOM 295 N SER A 20 -11.907 -0.420 6.276 1.00 0.00 N ATOM 296 CA SER A 20 -12.831 -0.452 5.148 1.00 0.00 C ATOM 297 C SER A 20 -12.202 -1.157 3.949 1.00 0.00 C ATOM 298 O SER A 20 -12.127 -0.597 2.854 1.00 0.00 O ATOM 299 CB SER A 20 -13.245 0.970 4.763 1.00 0.00 C ATOM 300 OG SER A 20 -13.916 1.614 5.833 1.00 0.00 O ATOM 0 H SER A 20 -11.338 0.424 6.332 1.00 0.00 H new ATOM 0 HA SER A 20 -13.717 -1.011 5.449 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.363 1.546 4.484 1.00 0.00 H new ATOM 0 HB3 SER A 20 -13.895 0.939 3.888 1.00 0.00 H new ATOM 0 HG SER A 20 -13.288 2.194 6.311 1.00 0.00 H new ATOM 306 N GLU A 21 -11.753 -2.389 4.163 1.00 0.00 N ATOM 307 CA GLU A 21 -11.131 -3.172 3.101 1.00 0.00 C ATOM 308 C GLU A 21 -12.099 -3.380 1.942 1.00 0.00 C ATOM 309 O GLU A 21 -13.296 -3.118 2.064 1.00 0.00 O ATOM 310 CB GLU A 21 -10.669 -4.526 3.642 1.00 0.00 C ATOM 311 CG GLU A 21 -11.786 -5.349 4.262 1.00 0.00 C ATOM 312 CD GLU A 21 -11.280 -6.342 5.289 1.00 0.00 C ATOM 313 OE1 GLU A 21 -10.093 -6.723 5.210 1.00 0.00 O ATOM 314 OE2 GLU A 21 -12.068 -6.737 6.173 1.00 0.00 O ATOM 0 H GLU A 21 -11.808 -2.867 5.062 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.266 -2.619 2.735 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.217 -5.096 2.831 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.892 -4.363 4.389 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -12.506 -4.680 4.733 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -12.317 -5.885 3.475 1.00 0.00 H new ATOM 321 N GLU A 22 -11.573 -3.854 0.818 1.00 0.00 N ATOM 322 CA GLU A 22 -12.391 -4.101 -0.363 1.00 0.00 C ATOM 323 C GLU A 22 -12.808 -5.566 -0.435 1.00 0.00 C ATOM 324 O GLU A 22 -12.931 -6.136 -1.520 1.00 0.00 O ATOM 325 CB GLU A 22 -11.626 -3.708 -1.630 1.00 0.00 C ATOM 326 CG GLU A 22 -11.958 -2.312 -2.131 1.00 0.00 C ATOM 327 CD GLU A 22 -13.263 -2.264 -2.902 1.00 0.00 C ATOM 328 OE1 GLU A 22 -14.324 -2.497 -2.286 1.00 0.00 O ATOM 329 OE2 GLU A 22 -13.224 -1.992 -4.120 1.00 0.00 O ATOM 0 H GLU A 22 -10.584 -4.075 0.700 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.291 -3.490 -0.289 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.556 -3.769 -1.432 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.847 -4.430 -2.417 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.016 -1.630 -1.283 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.149 -1.958 -2.770 1.00 0.00 H new ATOM 336 N ASP A 23 -13.024 -6.172 0.731 1.00 0.00 N ATOM 337 CA ASP A 23 -13.430 -7.574 0.813 1.00 0.00 C ATOM 338 C ASP A 23 -12.270 -8.514 0.487 1.00 0.00 C ATOM 339 O ASP A 23 -12.455 -9.728 0.404 1.00 0.00 O ATOM 340 CB ASP A 23 -14.596 -7.851 -0.138 1.00 0.00 C ATOM 341 CG ASP A 23 -15.678 -6.791 -0.054 1.00 0.00 C ATOM 342 OD1 ASP A 23 -16.589 -6.939 0.787 1.00 0.00 O ATOM 343 OD2 ASP A 23 -15.613 -5.814 -0.830 1.00 0.00 O ATOM 0 H ASP A 23 -12.924 -5.712 1.636 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.746 -7.762 1.839 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -14.222 -7.904 -1.161 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -15.027 -8.825 0.095 1.00 0.00 H new ATOM 348 N ARG A 24 -11.077 -7.955 0.301 1.00 0.00 N ATOM 349 CA ARG A 24 -9.905 -8.763 -0.016 1.00 0.00 C ATOM 350 C ARG A 24 -8.665 -8.252 0.704 1.00 0.00 C ATOM 351 O ARG A 24 -8.163 -8.892 1.630 1.00 0.00 O ATOM 352 CB ARG A 24 -9.662 -8.785 -1.527 1.00 0.00 C ATOM 353 CG ARG A 24 -9.268 -10.155 -2.058 1.00 0.00 C ATOM 354 CD ARG A 24 -8.041 -10.080 -2.956 1.00 0.00 C ATOM 355 NE ARG A 24 -8.384 -10.251 -4.367 1.00 0.00 N ATOM 356 CZ ARG A 24 -7.800 -9.586 -5.365 1.00 0.00 C ATOM 357 NH1 ARG A 24 -6.833 -8.710 -5.121 1.00 0.00 N ATOM 358 NH2 ARG A 24 -8.183 -9.805 -6.615 1.00 0.00 N ATOM 0 H ARG A 24 -10.898 -6.953 0.364 1.00 0.00 H new ATOM 0 HA ARG A 24 -10.102 -9.778 0.328 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.566 -8.452 -2.037 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.877 -8.070 -1.771 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.067 -10.825 -1.222 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.101 -10.582 -2.616 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -7.548 -9.118 -2.817 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.328 -10.849 -2.660 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.116 -10.921 -4.603 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.529 -8.540 -4.162 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.394 -8.207 -5.892 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.922 -10.480 -6.811 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.739 -9.298 -7.381 1.00 0.00 H new ATOM 372 N VAL A 25 -8.168 -7.105 0.269 1.00 0.00 N ATOM 373 CA VAL A 25 -6.975 -6.516 0.870 1.00 0.00 C ATOM 374 C VAL A 25 -7.027 -4.991 0.847 1.00 0.00 C ATOM 375 O VAL A 25 -8.040 -4.395 0.480 1.00 0.00 O ATOM 376 CB VAL A 25 -5.684 -6.980 0.156 1.00 0.00 C ATOM 377 CG1 VAL A 25 -4.595 -7.289 1.171 1.00 0.00 C ATOM 378 CG2 VAL A 25 -5.952 -8.192 -0.728 1.00 0.00 C ATOM 0 H VAL A 25 -8.569 -6.562 -0.496 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.956 -6.860 1.904 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.341 -6.167 -0.483 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.694 -7.614 0.651 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.375 -6.394 1.753 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.934 -8.081 1.839 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.027 -8.497 -1.218 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.326 -9.013 -0.116 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.695 -7.934 -1.483 1.00 0.00 H new ATOM 388 N VAL A 26 -5.919 -4.367 1.242 1.00 0.00 N ATOM 389 CA VAL A 26 -5.809 -2.929 1.274 1.00 0.00 C ATOM 390 C VAL A 26 -4.362 -2.489 1.069 1.00 0.00 C ATOM 391 O VAL A 26 -3.432 -3.167 1.503 1.00 0.00 O ATOM 392 CB VAL A 26 -6.333 -2.351 2.604 1.00 0.00 C ATOM 393 CG1 VAL A 26 -6.575 -0.852 2.488 1.00 0.00 C ATOM 394 CG2 VAL A 26 -7.599 -3.072 3.041 1.00 0.00 C ATOM 0 H VAL A 26 -5.077 -4.854 1.547 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.423 -2.544 0.460 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.570 -2.510 3.367 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.944 -0.468 3.439 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.641 -0.351 2.233 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.313 -0.662 1.709 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.952 -2.649 3.981 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.368 -2.952 2.278 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.385 -4.132 3.178 1.00 0.00 H new ATOM 404 N VAL A 27 -4.178 -1.355 0.399 1.00 0.00 N ATOM 405 CA VAL A 27 -2.841 -0.834 0.135 1.00 0.00 C ATOM 406 C VAL A 27 -2.745 0.649 0.481 1.00 0.00 C ATOM 407 O VAL A 27 -3.661 1.423 0.206 1.00 0.00 O ATOM 408 CB VAL A 27 -2.444 -1.031 -1.339 1.00 0.00 C ATOM 409 CG1 VAL A 27 -0.997 -0.623 -1.565 1.00 0.00 C ATOM 410 CG2 VAL A 27 -2.673 -2.474 -1.766 1.00 0.00 C ATOM 0 H VAL A 27 -4.936 -0.781 0.030 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.155 -1.395 0.769 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.076 -0.390 -1.953 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.737 -0.770 -2.613 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.870 0.428 -1.304 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.345 -1.234 -0.940 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.387 -2.594 -2.811 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.070 -3.137 -1.146 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.727 -2.726 -1.647 1.00 0.00 H new ATOM 420 N ILE A 28 -1.626 1.036 1.085 1.00 0.00 N ATOM 421 CA ILE A 28 -1.407 2.424 1.468 1.00 0.00 C ATOM 422 C ILE A 28 -0.006 2.884 1.083 1.00 0.00 C ATOM 423 O ILE A 28 0.979 2.194 1.344 1.00 0.00 O ATOM 424 CB ILE A 28 -1.603 2.626 2.982 1.00 0.00 C ATOM 425 CG1 ILE A 28 -2.925 2.005 3.436 1.00 0.00 C ATOM 426 CG2 ILE A 28 -1.560 4.106 3.331 1.00 0.00 C ATOM 427 CD1 ILE A 28 -4.144 2.669 2.833 1.00 0.00 C ATOM 0 H ILE A 28 -0.858 0.407 1.319 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.144 3.021 0.931 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.789 2.126 3.507 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.930 0.947 3.172 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.990 2.063 4.523 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.700 4.231 4.405 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.595 4.520 3.040 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.354 4.629 2.798 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.045 2.177 3.199 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.164 3.721 3.118 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.102 2.588 1.747 1.00 0.00 H new ATOM 439 N ARG A 29 0.077 4.054 0.457 1.00 0.00 N ATOM 440 CA ARG A 29 1.359 4.605 0.034 1.00 0.00 C ATOM 441 C ARG A 29 1.672 5.895 0.787 1.00 0.00 C ATOM 442 O ARG A 29 1.138 6.957 0.469 1.00 0.00 O ATOM 443 CB ARG A 29 1.351 4.866 -1.474 1.00 0.00 C ATOM 444 CG ARG A 29 2.421 4.096 -2.230 1.00 0.00 C ATOM 445 CD ARG A 29 2.095 3.989 -3.710 1.00 0.00 C ATOM 446 NE ARG A 29 2.340 2.644 -4.228 1.00 0.00 N ATOM 447 CZ ARG A 29 1.499 1.624 -4.067 1.00 0.00 C ATOM 448 NH1 ARG A 29 0.360 1.790 -3.408 1.00 0.00 N ATOM 449 NH2 ARG A 29 1.799 0.434 -4.570 1.00 0.00 N ATOM 0 H ARG A 29 -0.728 4.638 0.232 1.00 0.00 H new ATOM 0 HA ARG A 29 2.136 3.876 0.265 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.373 4.601 -1.875 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.490 5.933 -1.650 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.384 4.592 -2.104 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.519 3.097 -1.806 1.00 0.00 H new ATOM 0 HD2 ARG A 29 1.050 4.255 -3.871 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.697 4.707 -4.267 1.00 0.00 H new ATOM 0 HE ARG A 29 3.205 2.477 -4.742 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.123 2.703 -3.021 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.279 1.004 -3.289 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.673 0.301 -5.079 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.156 -0.348 -4.448 1.00 0.00 H new ATOM 463 N PHE A 30 2.543 5.794 1.786 1.00 0.00 N ATOM 464 CA PHE A 30 2.928 6.953 2.583 1.00 0.00 C ATOM 465 C PHE A 30 3.946 7.810 1.839 1.00 0.00 C ATOM 466 O PHE A 30 5.091 7.403 1.641 1.00 0.00 O ATOM 467 CB PHE A 30 3.507 6.506 3.926 1.00 0.00 C ATOM 468 CG PHE A 30 2.475 5.971 4.877 1.00 0.00 C ATOM 469 CD1 PHE A 30 2.060 4.651 4.800 1.00 0.00 C ATOM 470 CD2 PHE A 30 1.918 6.789 5.847 1.00 0.00 C ATOM 471 CE1 PHE A 30 1.111 4.156 5.673 1.00 0.00 C ATOM 472 CE2 PHE A 30 0.967 6.300 6.723 1.00 0.00 C ATOM 473 CZ PHE A 30 0.563 4.982 6.635 1.00 0.00 C ATOM 0 H PHE A 30 2.995 4.922 2.063 1.00 0.00 H new ATOM 0 HA PHE A 30 2.035 7.552 2.761 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.260 5.738 3.750 1.00 0.00 H new ATOM 0 HB3 PHE A 30 4.016 7.350 4.392 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.484 4.002 4.048 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.230 7.820 5.919 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.798 3.125 5.604 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.541 6.947 7.475 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.181 4.598 7.318 1.00 0.00 H new ATOM 483 N GLY A 31 3.521 9.000 1.426 1.00 0.00 N ATOM 484 CA GLY A 31 4.408 9.897 0.708 1.00 0.00 C ATOM 485 C GLY A 31 3.653 10.894 -0.150 1.00 0.00 C ATOM 486 O GLY A 31 2.503 10.660 -0.519 1.00 0.00 O ATOM 0 H GLY A 31 2.578 9.359 1.576 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.031 10.435 1.422 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.078 9.313 0.077 1.00 0.00 H new ATOM 490 N HIS A 32 4.302 12.009 -0.467 1.00 0.00 N ATOM 491 CA HIS A 32 3.685 13.046 -1.286 1.00 0.00 C ATOM 492 C HIS A 32 3.311 12.500 -2.662 1.00 0.00 C ATOM 493 O HIS A 32 3.859 11.493 -3.110 1.00 0.00 O ATOM 494 CB HIS A 32 4.632 14.240 -1.433 1.00 0.00 C ATOM 495 CG HIS A 32 4.120 15.491 -0.789 1.00 0.00 C ATOM 496 ND1 HIS A 32 3.487 16.494 -1.494 1.00 0.00 N ATOM 497 CD2 HIS A 32 4.149 15.900 0.501 1.00 0.00 C ATOM 498 CE1 HIS A 32 3.151 17.465 -0.664 1.00 0.00 C ATOM 499 NE2 HIS A 32 3.540 17.129 0.552 1.00 0.00 N ATOM 0 H HIS A 32 5.255 12.218 -0.169 1.00 0.00 H new ATOM 0 HA HIS A 32 2.774 13.376 -0.788 1.00 0.00 H new ATOM 0 HB2 HIS A 32 5.597 13.984 -0.995 1.00 0.00 H new ATOM 0 HB3 HIS A 32 4.803 14.430 -2.493 1.00 0.00 H new ATOM 0 HD1 HIS A 32 3.307 16.487 -2.498 1.00 0.00 H new ATOM 0 HD2 HIS A 32 4.572 15.360 1.335 1.00 0.00 H new ATOM 0 HE1 HIS A 32 2.644 18.379 -0.934 1.00 0.00 H new ATOM 508 N ASP A 33 2.378 13.172 -3.325 1.00 0.00 N ATOM 509 CA ASP A 33 1.931 12.755 -4.649 1.00 0.00 C ATOM 510 C ASP A 33 3.072 12.833 -5.658 1.00 0.00 C ATOM 511 O ASP A 33 3.122 12.057 -6.614 1.00 0.00 O ATOM 512 CB ASP A 33 0.763 13.627 -5.115 1.00 0.00 C ATOM 513 CG ASP A 33 0.179 13.157 -6.432 1.00 0.00 C ATOM 514 OD1 ASP A 33 -0.076 11.942 -6.568 1.00 0.00 O ATOM 515 OD2 ASP A 33 -0.024 14.004 -7.328 1.00 0.00 O ATOM 0 H ASP A 33 1.916 14.008 -2.968 1.00 0.00 H new ATOM 0 HA ASP A 33 1.598 11.719 -4.583 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.016 13.622 -4.353 1.00 0.00 H new ATOM 0 HB3 ASP A 33 1.102 14.658 -5.218 1.00 0.00 H new ATOM 520 N TRP A 34 3.985 13.773 -5.441 1.00 0.00 N ATOM 521 CA TRP A 34 5.125 13.952 -6.332 1.00 0.00 C ATOM 522 C TRP A 34 6.364 13.254 -5.779 1.00 0.00 C ATOM 523 O TRP A 34 7.478 13.764 -5.892 1.00 0.00 O ATOM 524 CB TRP A 34 5.412 15.442 -6.534 1.00 0.00 C ATOM 525 CG TRP A 34 5.446 16.220 -5.254 1.00 0.00 C ATOM 526 CD1 TRP A 34 6.131 15.898 -4.117 1.00 0.00 C ATOM 527 CD2 TRP A 34 4.764 17.449 -4.978 1.00 0.00 C ATOM 528 NE1 TRP A 34 5.917 16.853 -3.152 1.00 0.00 N ATOM 529 CE2 TRP A 34 5.082 17.815 -3.656 1.00 0.00 C ATOM 530 CE3 TRP A 34 3.917 18.276 -5.721 1.00 0.00 C ATOM 531 CZ2 TRP A 34 4.582 18.971 -3.063 1.00 0.00 C ATOM 532 CZ3 TRP A 34 3.422 19.424 -5.131 1.00 0.00 C ATOM 533 CH2 TRP A 34 3.755 19.762 -3.814 1.00 0.00 C ATOM 0 H TRP A 34 3.958 14.423 -4.655 1.00 0.00 H new ATOM 0 HA TRP A 34 4.876 13.503 -7.294 1.00 0.00 H new ATOM 0 HB2 TRP A 34 6.369 15.554 -7.044 1.00 0.00 H new ATOM 0 HB3 TRP A 34 4.650 15.866 -7.188 1.00 0.00 H new ATOM 0 HD1 TRP A 34 6.750 15.022 -3.994 1.00 0.00 H new ATOM 0 HE1 TRP A 34 6.315 16.847 -2.213 1.00 0.00 H new ATOM 0 HE3 TRP A 34 3.654 18.023 -6.737 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 4.837 19.234 -2.047 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 2.767 20.071 -5.696 1.00 0.00 H new ATOM 0 HH2 TRP A 34 3.351 20.665 -3.382 1.00 0.00 H new ATOM 544 N ASP A 35 6.161 12.083 -5.182 1.00 0.00 N ATOM 545 CA ASP A 35 7.261 11.315 -4.613 1.00 0.00 C ATOM 546 C ASP A 35 7.992 10.526 -5.697 1.00 0.00 C ATOM 547 O ASP A 35 7.390 10.111 -6.687 1.00 0.00 O ATOM 548 CB ASP A 35 6.741 10.362 -3.536 1.00 0.00 C ATOM 549 CG ASP A 35 6.834 10.957 -2.144 1.00 0.00 C ATOM 550 OD1 ASP A 35 6.750 12.196 -2.022 1.00 0.00 O ATOM 551 OD2 ASP A 35 6.988 10.182 -1.177 1.00 0.00 O ATOM 0 H ASP A 35 5.245 11.646 -5.080 1.00 0.00 H new ATOM 0 HA ASP A 35 7.964 12.014 -4.161 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.703 10.107 -3.751 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.311 9.434 -3.570 1.00 0.00 H new ATOM 556 N PRO A 36 9.309 10.311 -5.525 1.00 0.00 N ATOM 557 CA PRO A 36 10.121 9.569 -6.494 1.00 0.00 C ATOM 558 C PRO A 36 9.614 8.145 -6.707 1.00 0.00 C ATOM 559 O PRO A 36 9.013 7.839 -7.737 1.00 0.00 O ATOM 560 CB PRO A 36 11.524 9.555 -5.870 1.00 0.00 C ATOM 561 CG PRO A 36 11.319 9.890 -4.430 1.00 0.00 C ATOM 562 CD PRO A 36 10.105 10.772 -4.376 1.00 0.00 C ATOM 0 HA PRO A 36 10.092 10.032 -7.480 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.995 8.579 -5.983 1.00 0.00 H new ATOM 0 HB3 PRO A 36 12.177 10.282 -6.354 1.00 0.00 H new ATOM 0 HG2 PRO A 36 11.171 8.987 -3.837 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.191 10.401 -4.021 1.00 0.00 H new ATOM 0 HD2 PRO A 36 9.563 10.656 -3.437 1.00 0.00 H new ATOM 0 HD3 PRO A 36 10.368 11.826 -4.464 1.00 0.00 H new ATOM 570 N THR A 37 9.862 7.276 -5.731 1.00 0.00 N ATOM 571 CA THR A 37 9.435 5.891 -5.813 1.00 0.00 C ATOM 572 C THR A 37 7.930 5.798 -6.026 1.00 0.00 C ATOM 573 O THR A 37 7.444 4.923 -6.743 1.00 0.00 O ATOM 574 CB THR A 37 9.830 5.135 -4.544 1.00 0.00 C ATOM 575 OG1 THR A 37 11.218 5.267 -4.295 1.00 0.00 O ATOM 576 CG2 THR A 37 9.509 3.658 -4.606 1.00 0.00 C ATOM 0 H THR A 37 10.359 7.512 -4.872 1.00 0.00 H new ATOM 0 HA THR A 37 9.934 5.435 -6.668 1.00 0.00 H new ATOM 0 HB THR A 37 9.243 5.583 -3.743 1.00 0.00 H new ATOM 0 HG1 THR A 37 11.386 5.192 -3.332 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.814 3.180 -3.675 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.437 3.524 -4.748 1.00 0.00 H new ATOM 0 HG23 THR A 37 10.045 3.204 -5.440 1.00 0.00 H new ATOM 584 N CYS A 38 7.198 6.710 -5.397 1.00 0.00 N ATOM 585 CA CYS A 38 5.744 6.738 -5.514 1.00 0.00 C ATOM 586 C CYS A 38 5.321 6.903 -6.970 1.00 0.00 C ATOM 587 O CYS A 38 4.241 6.464 -7.366 1.00 0.00 O ATOM 588 CB CYS A 38 5.165 7.874 -4.671 1.00 0.00 C ATOM 589 SG CYS A 38 3.490 7.563 -4.064 1.00 0.00 S ATOM 0 H CYS A 38 7.587 7.440 -4.801 1.00 0.00 H new ATOM 0 HA CYS A 38 5.356 5.789 -5.146 1.00 0.00 H new ATOM 0 HB2 CYS A 38 5.822 8.051 -3.819 1.00 0.00 H new ATOM 0 HB3 CYS A 38 5.161 8.788 -5.266 1.00 0.00 H new ATOM 0 HG CYS A 38 3.088 8.579 -3.360 1.00 0.00 H new ATOM 595 N MET A 39 6.178 7.538 -7.763 1.00 0.00 N ATOM 596 CA MET A 39 5.894 7.761 -9.175 1.00 0.00 C ATOM 597 C MET A 39 5.942 6.451 -9.955 1.00 0.00 C ATOM 598 O MET A 39 4.990 6.094 -10.647 1.00 0.00 O ATOM 599 CB MET A 39 6.892 8.758 -9.766 1.00 0.00 C ATOM 600 CG MET A 39 6.362 9.500 -10.982 1.00 0.00 C ATOM 601 SD MET A 39 7.594 10.586 -11.724 1.00 0.00 S ATOM 602 CE MET A 39 6.632 11.352 -13.026 1.00 0.00 C ATOM 0 H MET A 39 7.076 7.907 -7.451 1.00 0.00 H new ATOM 0 HA MET A 39 4.888 8.173 -9.256 1.00 0.00 H new ATOM 0 HB2 MET A 39 7.166 9.483 -8.999 1.00 0.00 H new ATOM 0 HB3 MET A 39 7.803 8.227 -10.043 1.00 0.00 H new ATOM 0 HG2 MET A 39 6.025 8.777 -11.725 1.00 0.00 H new ATOM 0 HG3 MET A 39 5.491 10.089 -10.693 1.00 0.00 H new ATOM 0 HE1 MET A 39 7.259 12.053 -13.577 1.00 0.00 H new ATOM 0 HE2 MET A 39 6.263 10.584 -13.706 1.00 0.00 H new ATOM 0 HE3 MET A 39 5.788 11.886 -12.589 1.00 0.00 H new ATOM 612 N LYS A 40 7.058 5.738 -9.837 1.00 0.00 N ATOM 613 CA LYS A 40 7.228 4.468 -10.535 1.00 0.00 C ATOM 614 C LYS A 40 6.148 3.474 -10.122 1.00 0.00 C ATOM 615 O LYS A 40 5.636 2.718 -10.947 1.00 0.00 O ATOM 616 CB LYS A 40 8.614 3.884 -10.250 1.00 0.00 C ATOM 617 CG LYS A 40 9.279 3.275 -11.474 1.00 0.00 C ATOM 618 CD LYS A 40 10.784 3.495 -11.458 1.00 0.00 C ATOM 619 CE LYS A 40 11.319 3.789 -12.850 1.00 0.00 C ATOM 620 NZ LYS A 40 11.365 2.565 -13.697 1.00 0.00 N ATOM 0 H LYS A 40 7.856 6.017 -9.266 1.00 0.00 H new ATOM 0 HA LYS A 40 7.136 4.654 -11.605 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.256 4.670 -9.851 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.526 3.121 -9.477 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.067 2.206 -11.511 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.855 3.715 -12.377 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.025 4.324 -10.792 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.278 2.610 -11.057 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.690 4.539 -13.330 1.00 0.00 H new ATOM 0 HE3 LYS A 40 12.320 4.214 -12.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.220 2.584 -14.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.383 1.722 -13.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.523 2.533 -14.307 1.00 0.00 H new ATOM 634 N MET A 41 5.801 3.482 -8.842 1.00 0.00 N ATOM 635 CA MET A 41 4.776 2.582 -8.331 1.00 0.00 C ATOM 636 C MET A 41 3.394 3.043 -8.776 1.00 0.00 C ATOM 637 O MET A 41 2.639 2.285 -9.382 1.00 0.00 O ATOM 638 CB MET A 41 4.840 2.515 -6.805 1.00 0.00 C ATOM 639 CG MET A 41 4.698 1.105 -6.256 1.00 0.00 C ATOM 640 SD MET A 41 6.120 0.066 -6.640 1.00 0.00 S ATOM 641 CE MET A 41 5.309 -1.408 -7.254 1.00 0.00 C ATOM 0 H MET A 41 6.212 4.099 -8.141 1.00 0.00 H new ATOM 0 HA MET A 41 4.960 1.586 -8.734 1.00 0.00 H new ATOM 0 HB2 MET A 41 5.789 2.933 -6.470 1.00 0.00 H new ATOM 0 HB3 MET A 41 4.051 3.141 -6.388 1.00 0.00 H new ATOM 0 HG2 MET A 41 4.568 1.151 -5.175 1.00 0.00 H new ATOM 0 HG3 MET A 41 3.797 0.648 -6.666 1.00 0.00 H new ATOM 0 HE1 MET A 41 5.908 -2.284 -7.005 1.00 0.00 H new ATOM 0 HE2 MET A 41 4.325 -1.500 -6.795 1.00 0.00 H new ATOM 0 HE3 MET A 41 5.200 -1.339 -8.336 1.00 0.00 H new ATOM 651 N ASP A 42 3.071 4.293 -8.468 1.00 0.00 N ATOM 652 CA ASP A 42 1.781 4.866 -8.831 1.00 0.00 C ATOM 653 C ASP A 42 1.552 4.816 -10.341 1.00 0.00 C ATOM 654 O ASP A 42 0.455 4.494 -10.800 1.00 0.00 O ATOM 655 CB ASP A 42 1.687 6.311 -8.340 1.00 0.00 C ATOM 656 CG ASP A 42 0.326 6.926 -8.602 1.00 0.00 C ATOM 657 OD1 ASP A 42 -0.637 6.561 -7.895 1.00 0.00 O ATOM 658 OD2 ASP A 42 0.223 7.772 -9.515 1.00 0.00 O ATOM 0 H ASP A 42 3.688 4.932 -7.966 1.00 0.00 H new ATOM 0 HA ASP A 42 1.006 4.269 -8.350 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.897 6.342 -7.271 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.453 6.909 -8.833 1.00 0.00 H new ATOM 663 N GLU A 43 2.589 5.139 -11.112 1.00 0.00 N ATOM 664 CA GLU A 43 2.483 5.133 -12.568 1.00 0.00 C ATOM 665 C GLU A 43 2.118 3.741 -13.081 1.00 0.00 C ATOM 666 O GLU A 43 1.330 3.601 -14.016 1.00 0.00 O ATOM 667 CB GLU A 43 3.790 5.621 -13.210 1.00 0.00 C ATOM 668 CG GLU A 43 4.893 4.576 -13.253 1.00 0.00 C ATOM 669 CD GLU A 43 6.110 5.047 -14.025 1.00 0.00 C ATOM 670 OE1 GLU A 43 6.391 6.264 -14.006 1.00 0.00 O ATOM 671 OE2 GLU A 43 6.783 4.199 -14.647 1.00 0.00 O ATOM 0 H GLU A 43 3.506 5.406 -10.755 1.00 0.00 H new ATOM 0 HA GLU A 43 1.685 5.819 -12.852 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.580 5.953 -14.227 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.150 6.490 -12.659 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.188 4.322 -12.235 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.508 3.664 -13.710 1.00 0.00 H new ATOM 678 N VAL A 44 2.690 2.715 -12.458 1.00 0.00 N ATOM 679 CA VAL A 44 2.411 1.337 -12.849 1.00 0.00 C ATOM 680 C VAL A 44 1.072 0.876 -12.283 1.00 0.00 C ATOM 681 O VAL A 44 0.328 0.143 -12.935 1.00 0.00 O ATOM 682 CB VAL A 44 3.520 0.376 -12.380 1.00 0.00 C ATOM 683 CG1 VAL A 44 3.296 -1.019 -12.943 1.00 0.00 C ATOM 684 CG2 VAL A 44 4.891 0.901 -12.781 1.00 0.00 C ATOM 0 H VAL A 44 3.347 2.811 -11.684 1.00 0.00 H new ATOM 0 HA VAL A 44 2.373 1.316 -13.938 1.00 0.00 H new ATOM 0 HB VAL A 44 3.481 0.316 -11.292 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.090 -1.682 -12.600 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.333 -1.399 -12.601 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.304 -0.977 -14.032 1.00 0.00 H new ATOM 0 HG21 VAL A 44 5.660 0.208 -12.440 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.942 0.995 -13.866 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.055 1.877 -12.324 1.00 0.00 H new ATOM 694 N LEU A 45 0.768 1.320 -11.066 1.00 0.00 N ATOM 695 CA LEU A 45 -0.483 0.965 -10.401 1.00 0.00 C ATOM 696 C LEU A 45 -1.675 1.158 -11.333 1.00 0.00 C ATOM 697 O LEU A 45 -2.523 0.276 -11.462 1.00 0.00 O ATOM 698 CB LEU A 45 -0.671 1.811 -9.140 1.00 0.00 C ATOM 699 CG LEU A 45 -0.027 1.243 -7.874 1.00 0.00 C ATOM 700 CD1 LEU A 45 -0.110 2.248 -6.736 1.00 0.00 C ATOM 701 CD2 LEU A 45 -0.693 -0.069 -7.481 1.00 0.00 C ATOM 0 H LEU A 45 1.375 1.930 -10.518 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.428 -0.088 -10.125 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.261 2.804 -9.323 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.739 1.936 -8.961 1.00 0.00 H new ATOM 0 HG LEU A 45 1.025 1.046 -8.080 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.353 1.826 -5.844 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.413 3.162 -7.019 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.155 2.477 -6.528 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.223 -0.460 -6.578 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.753 0.103 -7.293 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.581 -0.791 -8.290 1.00 0.00 H new ATOM 713 N TYR A 46 -1.732 2.316 -11.984 1.00 0.00 N ATOM 714 CA TYR A 46 -2.822 2.622 -12.906 1.00 0.00 C ATOM 715 C TYR A 46 -2.984 1.519 -13.947 1.00 0.00 C ATOM 716 O TYR A 46 -4.100 1.132 -14.291 1.00 0.00 O ATOM 717 CB TYR A 46 -2.569 3.962 -13.600 1.00 0.00 C ATOM 718 CG TYR A 46 -3.680 4.379 -14.538 1.00 0.00 C ATOM 719 CD1 TYR A 46 -3.862 3.740 -15.758 1.00 0.00 C ATOM 720 CD2 TYR A 46 -4.547 5.412 -14.202 1.00 0.00 C ATOM 721 CE1 TYR A 46 -4.875 4.118 -16.618 1.00 0.00 C ATOM 722 CE2 TYR A 46 -5.563 5.796 -15.056 1.00 0.00 C ATOM 723 CZ TYR A 46 -5.723 5.146 -16.262 1.00 0.00 C ATOM 724 OH TYR A 46 -6.733 5.526 -17.115 1.00 0.00 O ATOM 0 H TYR A 46 -1.038 3.057 -11.891 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.744 2.687 -12.328 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.436 4.734 -12.842 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -1.636 3.901 -14.160 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -3.200 2.934 -16.039 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.425 5.923 -13.258 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -5.002 3.612 -17.563 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -6.228 6.601 -14.781 1.00 0.00 H new ATOM 0 HH TYR A 46 -7.240 6.263 -16.714 1.00 0.00 H new ATOM 734 N SER A 47 -1.859 1.019 -14.443 1.00 0.00 N ATOM 735 CA SER A 47 -1.867 -0.042 -15.445 1.00 0.00 C ATOM 736 C SER A 47 -1.843 -1.425 -14.794 1.00 0.00 C ATOM 737 O SER A 47 -1.719 -2.438 -15.483 1.00 0.00 O ATOM 738 CB SER A 47 -0.671 0.111 -16.385 1.00 0.00 C ATOM 739 OG SER A 47 -0.494 1.463 -16.771 1.00 0.00 O ATOM 0 H SER A 47 -0.928 1.331 -14.168 1.00 0.00 H new ATOM 0 HA SER A 47 -2.791 0.047 -16.017 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.231 -0.251 -15.892 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.820 -0.507 -17.271 1.00 0.00 H new ATOM 0 HG SER A 47 0.278 1.534 -17.370 1.00 0.00 H new ATOM 745 N ILE A 48 -1.957 -1.465 -13.469 1.00 0.00 N ATOM 746 CA ILE A 48 -1.945 -2.728 -12.742 1.00 0.00 C ATOM 747 C ILE A 48 -2.540 -2.567 -11.343 1.00 0.00 C ATOM 748 O ILE A 48 -1.891 -2.864 -10.340 1.00 0.00 O ATOM 749 CB ILE A 48 -0.514 -3.293 -12.628 1.00 0.00 C ATOM 750 CG1 ILE A 48 -0.541 -4.695 -12.012 1.00 0.00 C ATOM 751 CG2 ILE A 48 0.368 -2.358 -11.808 1.00 0.00 C ATOM 752 CD1 ILE A 48 -0.711 -5.798 -13.033 1.00 0.00 C ATOM 0 H ILE A 48 -2.058 -0.639 -12.880 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.558 -3.429 -13.309 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.090 -3.367 -13.629 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.385 -4.860 -11.462 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.355 -4.750 -11.290 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.373 -2.774 -11.739 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.411 -1.382 -12.291 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.049 -2.249 -10.807 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.722 -6.764 -12.527 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.651 -5.658 -13.567 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.117 -5.769 -13.742 1.00 0.00 H new ATOM 764 N ALA A 49 -3.779 -2.094 -11.287 1.00 0.00 N ATOM 765 CA ALA A 49 -4.466 -1.893 -10.016 1.00 0.00 C ATOM 766 C ALA A 49 -5.978 -1.843 -10.210 1.00 0.00 C ATOM 767 O ALA A 49 -6.729 -2.480 -9.472 1.00 0.00 O ATOM 768 CB ALA A 49 -3.976 -0.618 -9.345 1.00 0.00 C ATOM 0 H ALA A 49 -4.330 -1.842 -12.108 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.236 -2.741 -9.371 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.498 -0.482 -8.398 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -2.904 -0.692 -9.161 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.175 0.234 -9.995 1.00 0.00 H new ATOM 774 N GLU A 50 -6.417 -1.079 -11.205 1.00 0.00 N ATOM 775 CA GLU A 50 -7.837 -0.936 -11.501 1.00 0.00 C ATOM 776 C GLU A 50 -8.532 -2.295 -11.577 1.00 0.00 C ATOM 777 O GLU A 50 -9.731 -2.403 -11.322 1.00 0.00 O ATOM 778 CB GLU A 50 -8.030 -0.180 -12.816 1.00 0.00 C ATOM 779 CG GLU A 50 -9.285 0.677 -12.847 1.00 0.00 C ATOM 780 CD GLU A 50 -9.790 0.921 -14.255 1.00 0.00 C ATOM 781 OE1 GLU A 50 -9.520 0.078 -15.136 1.00 0.00 O ATOM 782 OE2 GLU A 50 -10.455 1.955 -14.477 1.00 0.00 O ATOM 0 H GLU A 50 -5.805 -0.547 -11.823 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.290 -0.369 -10.688 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -7.162 0.455 -12.991 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.070 -0.898 -13.635 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -10.067 0.191 -12.264 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.079 1.634 -12.368 1.00 0.00 H new ATOM 789 N LYS A 51 -7.774 -3.326 -11.936 1.00 0.00 N ATOM 790 CA LYS A 51 -8.322 -4.673 -12.051 1.00 0.00 C ATOM 791 C LYS A 51 -8.498 -5.317 -10.680 1.00 0.00 C ATOM 792 O LYS A 51 -9.402 -6.127 -10.475 1.00 0.00 O ATOM 793 CB LYS A 51 -7.411 -5.543 -12.920 1.00 0.00 C ATOM 794 CG LYS A 51 -5.957 -5.533 -12.476 1.00 0.00 C ATOM 795 CD LYS A 51 -5.287 -6.875 -12.729 1.00 0.00 C ATOM 796 CE LYS A 51 -4.404 -6.833 -13.966 1.00 0.00 C ATOM 797 NZ LYS A 51 -5.062 -7.468 -15.141 1.00 0.00 N ATOM 0 H LYS A 51 -6.780 -3.255 -12.152 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.302 -4.596 -12.521 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.780 -6.569 -12.905 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.470 -5.198 -13.952 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.418 -4.750 -13.009 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.901 -5.292 -11.414 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.687 -7.153 -11.862 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.048 -7.646 -12.850 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.160 -5.797 -14.203 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.463 -7.343 -13.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.427 -7.418 -15.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.272 -8.463 -14.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.947 -6.966 -15.356 1.00 0.00 H new ATOM 811 N VAL A 52 -7.629 -4.955 -9.742 1.00 0.00 N ATOM 812 CA VAL A 52 -7.690 -5.503 -8.391 1.00 0.00 C ATOM 813 C VAL A 52 -8.427 -4.566 -7.438 1.00 0.00 C ATOM 814 O VAL A 52 -8.875 -4.982 -6.370 1.00 0.00 O ATOM 815 CB VAL A 52 -6.281 -5.777 -7.832 1.00 0.00 C ATOM 816 CG1 VAL A 52 -5.668 -6.996 -8.504 1.00 0.00 C ATOM 817 CG2 VAL A 52 -5.391 -4.557 -8.008 1.00 0.00 C ATOM 0 H VAL A 52 -6.875 -4.285 -9.892 1.00 0.00 H new ATOM 0 HA VAL A 52 -8.238 -6.442 -8.462 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.366 -5.984 -6.765 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.673 -7.174 -8.096 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.297 -7.867 -8.320 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.595 -6.821 -9.577 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.400 -4.769 -7.607 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.310 -4.316 -9.068 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.824 -3.711 -7.475 1.00 0.00 H new ATOM 827 N LYS A 53 -8.546 -3.297 -7.824 1.00 0.00 N ATOM 828 CA LYS A 53 -9.223 -2.300 -7.002 1.00 0.00 C ATOM 829 C LYS A 53 -10.562 -2.820 -6.476 1.00 0.00 C ATOM 830 O LYS A 53 -11.029 -2.400 -5.418 1.00 0.00 O ATOM 831 CB LYS A 53 -9.444 -1.016 -7.802 1.00 0.00 C ATOM 832 CG LYS A 53 -10.413 -1.179 -8.963 1.00 0.00 C ATOM 833 CD LYS A 53 -11.799 -0.667 -8.607 1.00 0.00 C ATOM 834 CE LYS A 53 -12.778 -0.869 -9.754 1.00 0.00 C ATOM 835 NZ LYS A 53 -14.191 -0.871 -9.285 1.00 0.00 N ATOM 0 H LYS A 53 -8.180 -2.935 -8.705 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.582 -2.088 -6.146 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.819 -0.241 -7.133 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.485 -0.668 -8.186 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -10.036 -0.639 -9.831 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.473 -2.231 -9.243 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -12.163 -1.186 -7.720 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.744 0.392 -8.356 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -12.641 -0.078 -10.491 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -12.561 -1.812 -10.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -14.824 -1.045 -10.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -14.320 -1.620 -8.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -14.417 0.051 -8.860 1.00 0.00 H new ATOM 849 N ASN A 54 -11.176 -3.731 -7.224 1.00 0.00 N ATOM 850 CA ASN A 54 -12.461 -4.300 -6.835 1.00 0.00 C ATOM 851 C ASN A 54 -12.330 -5.158 -5.579 1.00 0.00 C ATOM 852 O ASN A 54 -13.235 -5.194 -4.745 1.00 0.00 O ATOM 853 CB ASN A 54 -13.037 -5.138 -7.979 1.00 0.00 C ATOM 854 CG ASN A 54 -13.868 -4.310 -8.940 1.00 0.00 C ATOM 855 OD1 ASN A 54 -13.397 -3.919 -10.007 1.00 0.00 O ATOM 856 ND2 ASN A 54 -15.113 -4.040 -8.564 1.00 0.00 N ATOM 0 H ASN A 54 -10.804 -4.091 -8.103 1.00 0.00 H new ATOM 0 HA ASN A 54 -13.139 -3.475 -6.615 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -12.221 -5.613 -8.524 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -13.653 -5.937 -7.566 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -15.720 -3.488 -9.170 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -15.462 -4.385 -7.670 1.00 0.00 H new ATOM 863 N PHE A 55 -11.203 -5.852 -5.452 1.00 0.00 N ATOM 864 CA PHE A 55 -10.963 -6.714 -4.299 1.00 0.00 C ATOM 865 C PHE A 55 -10.124 -6.001 -3.243 1.00 0.00 C ATOM 866 O PHE A 55 -10.338 -6.172 -2.043 1.00 0.00 O ATOM 867 CB PHE A 55 -10.267 -8.002 -4.739 1.00 0.00 C ATOM 868 CG PHE A 55 -11.218 -9.123 -5.047 1.00 0.00 C ATOM 869 CD1 PHE A 55 -12.101 -9.587 -4.084 1.00 0.00 C ATOM 870 CD2 PHE A 55 -11.232 -9.712 -6.302 1.00 0.00 C ATOM 871 CE1 PHE A 55 -12.976 -10.617 -4.366 1.00 0.00 C ATOM 872 CE2 PHE A 55 -12.106 -10.743 -6.589 1.00 0.00 C ATOM 873 CZ PHE A 55 -12.979 -11.196 -5.621 1.00 0.00 C ATOM 0 H PHE A 55 -10.443 -5.835 -6.132 1.00 0.00 H new ATOM 0 HA PHE A 55 -11.928 -6.961 -3.856 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.663 -7.795 -5.623 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.583 -8.322 -3.953 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -12.104 -9.138 -3.102 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -10.552 -9.361 -7.064 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -13.658 -10.970 -3.606 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -12.106 -11.194 -7.570 1.00 0.00 H new ATOM 0 HZ PHE A 55 -13.663 -12.001 -5.844 1.00 0.00 H new ATOM 883 N ALA A 56 -9.172 -5.198 -3.700 1.00 0.00 N ATOM 884 CA ALA A 56 -8.301 -4.452 -2.800 1.00 0.00 C ATOM 885 C ALA A 56 -8.493 -2.953 -2.983 1.00 0.00 C ATOM 886 O ALA A 56 -8.983 -2.503 -4.018 1.00 0.00 O ATOM 887 CB ALA A 56 -6.847 -4.834 -3.036 1.00 0.00 C ATOM 0 H ALA A 56 -8.983 -5.046 -4.691 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.567 -4.707 -1.774 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.208 -4.269 -2.357 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.717 -5.901 -2.854 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.573 -4.606 -4.066 1.00 0.00 H new ATOM 893 N VAL A 57 -8.111 -2.183 -1.972 1.00 0.00 N ATOM 894 CA VAL A 57 -8.248 -0.734 -2.029 1.00 0.00 C ATOM 895 C VAL A 57 -6.920 -0.045 -1.732 1.00 0.00 C ATOM 896 O VAL A 57 -6.372 -0.177 -0.639 1.00 0.00 O ATOM 897 CB VAL A 57 -9.317 -0.239 -1.033 1.00 0.00 C ATOM 898 CG1 VAL A 57 -8.969 -0.680 0.378 1.00 0.00 C ATOM 899 CG2 VAL A 57 -9.471 1.274 -1.109 1.00 0.00 C ATOM 0 H VAL A 57 -7.705 -2.537 -1.106 1.00 0.00 H new ATOM 0 HA VAL A 57 -8.561 -0.478 -3.041 1.00 0.00 H new ATOM 0 HB VAL A 57 -10.274 -0.685 -1.305 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -9.732 -0.323 1.069 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.923 -1.768 0.418 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.001 -0.265 0.661 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.230 1.599 -0.398 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -8.520 1.749 -0.867 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -9.773 1.559 -2.117 1.00 0.00 H new ATOM 909 N ILE A 58 -6.409 0.689 -2.715 1.00 0.00 N ATOM 910 CA ILE A 58 -5.144 1.398 -2.559 1.00 0.00 C ATOM 911 C ILE A 58 -5.376 2.885 -2.319 1.00 0.00 C ATOM 912 O ILE A 58 -6.459 3.404 -2.587 1.00 0.00 O ATOM 913 CB ILE A 58 -4.242 1.229 -3.800 1.00 0.00 C ATOM 914 CG1 ILE A 58 -4.346 -0.196 -4.353 1.00 0.00 C ATOM 915 CG2 ILE A 58 -2.799 1.566 -3.454 1.00 0.00 C ATOM 916 CD1 ILE A 58 -3.621 -0.388 -5.666 1.00 0.00 C ATOM 0 H ILE A 58 -6.851 0.808 -3.627 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.644 0.962 -1.694 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.583 1.919 -4.572 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.942 -0.893 -3.619 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.398 -0.449 -4.487 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.174 1.442 -4.339 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.739 2.598 -3.109 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.448 0.899 -2.666 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.737 -1.420 -5.998 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.041 0.284 -6.415 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.562 -0.167 -5.533 1.00 0.00 H new ATOM 928 N TYR A 59 -4.349 3.568 -1.823 1.00 0.00 N ATOM 929 CA TYR A 59 -4.430 4.987 -1.560 1.00 0.00 C ATOM 930 C TYR A 59 -3.041 5.610 -1.472 1.00 0.00 C ATOM 931 O TYR A 59 -2.040 4.906 -1.336 1.00 0.00 O ATOM 932 CB TYR A 59 -5.206 5.263 -0.269 1.00 0.00 C ATOM 933 CG TYR A 59 -6.682 4.943 -0.359 1.00 0.00 C ATOM 934 CD1 TYR A 59 -7.495 5.578 -1.290 1.00 0.00 C ATOM 935 CD2 TYR A 59 -7.261 4.009 0.490 1.00 0.00 C ATOM 936 CE1 TYR A 59 -8.845 5.289 -1.371 1.00 0.00 C ATOM 937 CE2 TYR A 59 -8.609 3.715 0.414 1.00 0.00 C ATOM 938 CZ TYR A 59 -9.396 4.357 -0.518 1.00 0.00 C ATOM 939 OH TYR A 59 -10.739 4.067 -0.596 1.00 0.00 O ATOM 0 H TYR A 59 -3.447 3.150 -1.596 1.00 0.00 H new ATOM 0 HA TYR A 59 -4.964 5.443 -2.394 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.766 4.678 0.539 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.088 6.314 -0.003 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.066 6.308 -1.960 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.648 3.504 1.222 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.465 5.791 -2.099 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.044 2.986 1.082 1.00 0.00 H new ATOM 0 HH TYR A 59 -11.048 4.192 -1.518 1.00 0.00 H new ATOM 949 N LEU A 60 -2.989 6.935 -1.551 1.00 0.00 N ATOM 950 CA LEU A 60 -1.727 7.661 -1.480 1.00 0.00 C ATOM 951 C LEU A 60 -1.733 8.645 -0.315 1.00 0.00 C ATOM 952 O LEU A 60 -2.185 9.782 -0.452 1.00 0.00 O ATOM 953 CB LEU A 60 -1.470 8.408 -2.791 1.00 0.00 C ATOM 954 CG LEU A 60 -1.173 7.517 -3.998 1.00 0.00 C ATOM 955 CD1 LEU A 60 0.066 6.672 -3.746 1.00 0.00 C ATOM 956 CD2 LEU A 60 -2.369 6.631 -4.313 1.00 0.00 C ATOM 0 H LEU A 60 -3.810 7.530 -1.665 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.928 6.938 -1.319 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.341 9.022 -3.018 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.630 9.088 -2.645 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.982 8.157 -4.860 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.262 6.045 -4.616 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.921 7.324 -3.569 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.096 6.041 -2.872 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.140 6.004 -5.175 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.590 5.999 -3.453 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.234 7.254 -4.538 1.00 0.00 H new ATOM 968 N VAL A 61 -1.230 8.200 0.832 1.00 0.00 N ATOM 969 CA VAL A 61 -1.180 9.041 2.021 1.00 0.00 C ATOM 970 C VAL A 61 -0.032 10.041 1.941 1.00 0.00 C ATOM 971 O VAL A 61 0.954 9.815 1.240 1.00 0.00 O ATOM 972 CB VAL A 61 -1.020 8.196 3.299 1.00 0.00 C ATOM 973 CG1 VAL A 61 -1.168 9.066 4.538 1.00 0.00 C ATOM 974 CG2 VAL A 61 -2.028 7.057 3.315 1.00 0.00 C ATOM 0 H VAL A 61 -0.851 7.262 0.963 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.126 9.581 2.066 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.019 7.765 3.304 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.052 8.451 5.430 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.403 9.843 4.531 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.155 9.528 4.542 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.900 6.471 4.225 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.038 7.465 3.285 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.869 6.418 2.446 1.00 0.00 H new ATOM 984 N ASP A 62 -0.167 11.149 2.662 1.00 0.00 N ATOM 985 CA ASP A 62 0.860 12.185 2.671 1.00 0.00 C ATOM 986 C ASP A 62 1.631 12.176 3.987 1.00 0.00 C ATOM 987 O ASP A 62 1.039 12.183 5.066 1.00 0.00 O ATOM 988 CB ASP A 62 0.227 13.560 2.447 1.00 0.00 C ATOM 989 CG ASP A 62 -0.230 13.760 1.015 1.00 0.00 C ATOM 990 OD1 ASP A 62 0.637 13.962 0.140 1.00 0.00 O ATOM 991 OD2 ASP A 62 -1.454 13.715 0.772 1.00 0.00 O ATOM 0 H ASP A 62 -0.977 11.353 3.247 1.00 0.00 H new ATOM 0 HA ASP A 62 1.559 11.977 1.861 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.625 13.678 3.117 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.948 14.335 2.707 1.00 0.00 H new ATOM 996 N ILE A 63 2.957 12.161 3.889 1.00 0.00 N ATOM 997 CA ILE A 63 3.811 12.151 5.072 1.00 0.00 C ATOM 998 C ILE A 63 4.079 13.567 5.571 1.00 0.00 C ATOM 999 O ILE A 63 4.352 13.777 6.753 1.00 0.00 O ATOM 1000 CB ILE A 63 5.156 11.457 4.787 1.00 0.00 C ATOM 1001 CG1 ILE A 63 4.924 10.107 4.105 1.00 0.00 C ATOM 1002 CG2 ILE A 63 5.942 11.276 6.077 1.00 0.00 C ATOM 1003 CD1 ILE A 63 6.194 9.463 3.594 1.00 0.00 C ATOM 0 H ILE A 63 3.463 12.156 3.003 1.00 0.00 H new ATOM 0 HA ILE A 63 3.277 11.593 5.841 1.00 0.00 H new ATOM 0 HB ILE A 63 5.738 12.087 4.115 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.441 9.431 4.811 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.235 10.243 3.272 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.890 10.784 5.859 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.133 12.251 6.526 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.366 10.663 6.771 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.954 8.510 3.123 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.667 10.120 2.864 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.877 9.295 4.427 1.00 0.00 H new ATOM 1015 N THR A 64 4.001 14.538 4.664 1.00 0.00 N ATOM 1016 CA THR A 64 4.236 15.932 5.017 1.00 0.00 C ATOM 1017 C THR A 64 2.952 16.588 5.511 1.00 0.00 C ATOM 1018 O THR A 64 2.968 17.370 6.462 1.00 0.00 O ATOM 1019 CB THR A 64 4.782 16.699 3.812 1.00 0.00 C ATOM 1020 OG1 THR A 64 5.804 15.959 3.168 1.00 0.00 O ATOM 1021 CG2 THR A 64 5.354 18.053 4.173 1.00 0.00 C ATOM 0 H THR A 64 3.777 14.383 3.681 1.00 0.00 H new ATOM 0 HA THR A 64 4.972 15.960 5.821 1.00 0.00 H new ATOM 0 HB THR A 64 3.927 16.848 3.153 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.139 16.465 2.399 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.724 18.544 3.273 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.577 18.667 4.628 1.00 0.00 H new ATOM 0 HG23 THR A 64 6.174 17.925 4.879 1.00 0.00 H new ATOM 1029 N GLU A 65 1.841 16.263 4.859 1.00 0.00 N ATOM 1030 CA GLU A 65 0.547 16.820 5.233 1.00 0.00 C ATOM 1031 C GLU A 65 0.066 16.232 6.554 1.00 0.00 C ATOM 1032 O GLU A 65 -0.486 16.940 7.397 1.00 0.00 O ATOM 1033 CB GLU A 65 -0.484 16.550 4.135 1.00 0.00 C ATOM 1034 CG GLU A 65 -1.688 17.477 4.191 1.00 0.00 C ATOM 1035 CD GLU A 65 -2.348 17.657 2.839 1.00 0.00 C ATOM 1036 OE1 GLU A 65 -1.663 18.116 1.901 1.00 0.00 O ATOM 1037 OE2 GLU A 65 -3.549 17.339 2.717 1.00 0.00 O ATOM 0 H GLU A 65 1.811 15.617 4.070 1.00 0.00 H new ATOM 0 HA GLU A 65 0.663 17.897 5.355 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.002 16.652 3.163 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.826 15.518 4.215 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.417 17.078 4.897 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.376 18.450 4.571 1.00 0.00 H new ATOM 1044 N VAL A 66 0.279 14.931 6.730 1.00 0.00 N ATOM 1045 CA VAL A 66 -0.130 14.247 7.950 1.00 0.00 C ATOM 1046 C VAL A 66 0.982 14.276 8.996 1.00 0.00 C ATOM 1047 O VAL A 66 2.148 14.044 8.677 1.00 0.00 O ATOM 1048 CB VAL A 66 -0.516 12.783 7.667 1.00 0.00 C ATOM 1049 CG1 VAL A 66 -1.105 12.134 8.910 1.00 0.00 C ATOM 1050 CG2 VAL A 66 -1.493 12.704 6.504 1.00 0.00 C ATOM 0 H VAL A 66 0.733 14.330 6.042 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.001 14.778 8.336 1.00 0.00 H new ATOM 0 HB VAL A 66 0.386 12.236 7.393 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.371 11.100 8.689 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.370 12.156 9.715 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.996 12.680 9.218 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.754 11.662 6.319 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.394 13.267 6.747 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.031 13.127 5.612 1.00 0.00 H new ATOM 1060 N PRO A 67 0.638 14.562 10.266 1.00 0.00 N ATOM 1061 CA PRO A 67 1.621 14.618 11.353 1.00 0.00 C ATOM 1062 C PRO A 67 2.166 13.239 11.711 1.00 0.00 C ATOM 1063 O PRO A 67 1.452 12.404 12.267 1.00 0.00 O ATOM 1064 CB PRO A 67 0.826 15.200 12.523 1.00 0.00 C ATOM 1065 CG PRO A 67 -0.588 14.833 12.238 1.00 0.00 C ATOM 1066 CD PRO A 67 -0.727 14.853 10.741 1.00 0.00 C ATOM 0 HA PRO A 67 2.496 15.208 11.081 1.00 0.00 H new ATOM 0 HB2 PRO A 67 1.159 14.784 13.474 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.949 16.281 12.587 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -0.824 13.847 12.639 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.276 15.539 12.703 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -1.441 14.106 10.394 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.079 15.821 10.383 1.00 0.00 H new ATOM 1074 N ASP A 68 3.435 13.007 11.391 1.00 0.00 N ATOM 1075 CA ASP A 68 4.075 11.730 11.679 1.00 0.00 C ATOM 1076 C ASP A 68 4.719 11.743 13.062 1.00 0.00 C ATOM 1077 O ASP A 68 4.567 12.702 13.819 1.00 0.00 O ATOM 1078 CB ASP A 68 5.130 11.413 10.616 1.00 0.00 C ATOM 1079 CG ASP A 68 5.169 9.939 10.263 1.00 0.00 C ATOM 1080 OD1 ASP A 68 5.886 9.184 10.952 1.00 0.00 O ATOM 1081 OD2 ASP A 68 4.485 9.540 9.298 1.00 0.00 O ATOM 0 H ASP A 68 4.040 13.688 10.932 1.00 0.00 H new ATOM 0 HA ASP A 68 3.308 10.956 11.662 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.922 11.994 9.717 1.00 0.00 H new ATOM 0 HB3 ASP A 68 6.110 11.724 10.977 1.00 0.00 H new ATOM 1086 N PHE A 69 5.438 10.673 13.384 1.00 0.00 N ATOM 1087 CA PHE A 69 6.104 10.561 14.676 1.00 0.00 C ATOM 1088 C PHE A 69 7.119 11.684 14.864 1.00 0.00 C ATOM 1089 O PHE A 69 7.320 12.172 15.976 1.00 0.00 O ATOM 1090 CB PHE A 69 6.800 9.204 14.798 1.00 0.00 C ATOM 1091 CG PHE A 69 6.702 8.600 16.170 1.00 0.00 C ATOM 1092 CD1 PHE A 69 7.156 9.293 17.281 1.00 0.00 C ATOM 1093 CD2 PHE A 69 6.155 7.339 16.349 1.00 0.00 C ATOM 1094 CE1 PHE A 69 7.067 8.740 18.544 1.00 0.00 C ATOM 1095 CE2 PHE A 69 6.064 6.781 17.611 1.00 0.00 C ATOM 1096 CZ PHE A 69 6.520 7.483 18.709 1.00 0.00 C ATOM 0 H PHE A 69 5.574 9.871 12.768 1.00 0.00 H new ATOM 0 HA PHE A 69 5.347 10.645 15.456 1.00 0.00 H new ATOM 0 HB2 PHE A 69 6.364 8.515 14.075 1.00 0.00 H new ATOM 0 HB3 PHE A 69 7.851 9.319 14.535 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.584 10.277 17.158 1.00 0.00 H new ATOM 0 HD2 PHE A 69 5.796 6.786 15.493 1.00 0.00 H new ATOM 0 HE1 PHE A 69 7.425 9.290 19.401 1.00 0.00 H new ATOM 0 HE2 PHE A 69 5.637 5.797 17.738 1.00 0.00 H new ATOM 0 HZ PHE A 69 6.449 7.049 19.696 1.00 0.00 H new ATOM 1106 N ASN A 70 7.754 12.090 13.769 1.00 0.00 N ATOM 1107 CA ASN A 70 8.748 13.158 13.809 1.00 0.00 C ATOM 1108 C ASN A 70 9.958 12.746 14.645 1.00 0.00 C ATOM 1109 O ASN A 70 10.996 12.368 14.104 1.00 0.00 O ATOM 1110 CB ASN A 70 8.132 14.441 14.373 1.00 0.00 C ATOM 1111 CG ASN A 70 7.644 15.374 13.282 1.00 0.00 C ATOM 1112 OD1 ASN A 70 6.933 14.960 12.365 1.00 0.00 O ATOM 1113 ND2 ASN A 70 8.024 16.644 13.375 1.00 0.00 N ATOM 0 H ASN A 70 7.598 11.695 12.842 1.00 0.00 H new ATOM 0 HA ASN A 70 9.082 13.346 12.789 1.00 0.00 H new ATOM 0 HB2 ASN A 70 7.299 14.184 15.027 1.00 0.00 H new ATOM 0 HB3 ASN A 70 8.871 14.957 14.986 1.00 0.00 H new ATOM 0 HD21 ASN A 70 7.726 17.318 12.670 1.00 0.00 H new ATOM 0 HD22 ASN A 70 8.613 16.944 14.151 1.00 0.00 H new ATOM 1120 N LYS A 71 9.814 12.823 15.965 1.00 0.00 N ATOM 1121 CA LYS A 71 10.894 12.459 16.877 1.00 0.00 C ATOM 1122 C LYS A 71 12.089 13.393 16.707 1.00 0.00 C ATOM 1123 O LYS A 71 12.285 14.316 17.498 1.00 0.00 O ATOM 1124 CB LYS A 71 11.322 11.007 16.646 1.00 0.00 C ATOM 1125 CG LYS A 71 10.633 10.016 17.568 1.00 0.00 C ATOM 1126 CD LYS A 71 11.263 8.635 17.473 1.00 0.00 C ATOM 1127 CE LYS A 71 10.213 7.538 17.544 1.00 0.00 C ATOM 1128 NZ LYS A 71 10.081 6.985 18.920 1.00 0.00 N ATOM 0 H LYS A 71 8.960 13.134 16.427 1.00 0.00 H new ATOM 0 HA LYS A 71 10.523 12.559 17.897 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.111 10.735 15.612 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.401 10.929 16.783 1.00 0.00 H new ATOM 0 HG2 LYS A 71 10.691 10.373 18.596 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.576 9.953 17.311 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.817 8.550 16.538 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.982 8.505 18.282 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.251 7.934 17.218 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.478 6.737 16.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.533 6.049 18.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.544 7.625 19.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.074 6.894 19.162 1.00 0.00 H new ATOM 1142 N MET A 72 12.886 13.147 15.672 1.00 0.00 N ATOM 1143 CA MET A 72 14.062 13.966 15.400 1.00 0.00 C ATOM 1144 C MET A 72 13.965 14.617 14.024 1.00 0.00 C ATOM 1145 O MET A 72 13.834 15.835 13.909 1.00 0.00 O ATOM 1146 CB MET A 72 15.332 13.118 15.487 1.00 0.00 C ATOM 1147 CG MET A 72 15.924 13.052 16.885 1.00 0.00 C ATOM 1148 SD MET A 72 16.632 11.438 17.265 1.00 0.00 S ATOM 1149 CE MET A 72 16.578 11.457 19.055 1.00 0.00 C ATOM 0 H MET A 72 12.739 12.387 15.008 1.00 0.00 H new ATOM 0 HA MET A 72 14.107 14.753 16.153 1.00 0.00 H new ATOM 0 HB2 MET A 72 15.108 12.107 15.148 1.00 0.00 H new ATOM 0 HB3 MET A 72 16.078 13.525 14.804 1.00 0.00 H new ATOM 0 HG2 MET A 72 16.696 13.815 16.985 1.00 0.00 H new ATOM 0 HG3 MET A 72 15.149 13.285 17.615 1.00 0.00 H new ATOM 0 HE1 MET A 72 16.984 10.522 19.441 1.00 0.00 H new ATOM 0 HE2 MET A 72 17.171 12.292 19.428 1.00 0.00 H new ATOM 0 HE3 MET A 72 15.546 11.569 19.387 1.00 0.00 H new ATOM 1159 N TYR A 73 14.027 13.795 12.981 1.00 0.00 N ATOM 1160 CA TYR A 73 13.946 14.289 11.611 1.00 0.00 C ATOM 1161 C TYR A 73 13.305 13.252 10.694 1.00 0.00 C ATOM 1162 O TYR A 73 13.599 13.200 9.500 1.00 0.00 O ATOM 1163 CB TYR A 73 15.339 14.653 11.095 1.00 0.00 C ATOM 1164 CG TYR A 73 15.321 15.458 9.815 1.00 0.00 C ATOM 1165 CD1 TYR A 73 14.650 16.672 9.745 1.00 0.00 C ATOM 1166 CD2 TYR A 73 15.973 15.002 8.676 1.00 0.00 C ATOM 1167 CE1 TYR A 73 14.630 17.411 8.577 1.00 0.00 C ATOM 1168 CE2 TYR A 73 15.958 15.735 7.505 1.00 0.00 C ATOM 1169 CZ TYR A 73 15.286 16.938 7.460 1.00 0.00 C ATOM 1170 OH TYR A 73 15.269 17.670 6.296 1.00 0.00 O ATOM 0 H TYR A 73 14.133 12.784 13.059 1.00 0.00 H new ATOM 0 HA TYR A 73 13.321 15.182 11.610 1.00 0.00 H new ATOM 0 HB2 TYR A 73 15.865 15.220 11.863 1.00 0.00 H new ATOM 0 HB3 TYR A 73 15.907 13.737 10.930 1.00 0.00 H new ATOM 0 HD1 TYR A 73 14.135 17.045 10.618 1.00 0.00 H new ATOM 0 HD2 TYR A 73 16.500 14.060 8.706 1.00 0.00 H new ATOM 0 HE1 TYR A 73 14.104 18.353 8.539 1.00 0.00 H new ATOM 0 HE2 TYR A 73 16.471 15.367 6.628 1.00 0.00 H new ATOM 0 HH TYR A 73 15.212 17.063 5.529 1.00 0.00 H new ATOM 1180 N GLU A 74 12.429 12.427 11.262 1.00 0.00 N ATOM 1181 CA GLU A 74 11.747 11.388 10.502 1.00 0.00 C ATOM 1182 C GLU A 74 11.145 11.948 9.215 1.00 0.00 C ATOM 1183 O GLU A 74 11.065 11.253 8.202 1.00 0.00 O ATOM 1184 CB GLU A 74 10.649 10.744 11.352 1.00 0.00 C ATOM 1185 CG GLU A 74 10.457 9.263 11.076 1.00 0.00 C ATOM 1186 CD GLU A 74 9.846 8.525 12.252 1.00 0.00 C ATOM 1187 OE1 GLU A 74 10.162 8.883 13.406 1.00 0.00 O ATOM 1188 OE2 GLU A 74 9.051 7.591 12.019 1.00 0.00 O ATOM 0 H GLU A 74 12.176 12.460 12.249 1.00 0.00 H new ATOM 0 HA GLU A 74 12.485 10.632 10.233 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.890 10.880 12.406 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.708 11.264 11.170 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.817 9.140 10.202 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.420 8.815 10.831 1.00 0.00 H new ATOM 1195 N LEU A 75 10.722 13.206 9.264 1.00 0.00 N ATOM 1196 CA LEU A 75 10.127 13.859 8.104 1.00 0.00 C ATOM 1197 C LEU A 75 11.179 14.135 7.033 1.00 0.00 C ATOM 1198 O LEU A 75 11.484 15.289 6.728 1.00 0.00 O ATOM 1199 CB LEU A 75 9.446 15.165 8.520 1.00 0.00 C ATOM 1200 CG LEU A 75 10.327 16.129 9.320 1.00 0.00 C ATOM 1201 CD1 LEU A 75 10.770 17.297 8.451 1.00 0.00 C ATOM 1202 CD2 LEU A 75 9.589 16.631 10.552 1.00 0.00 C ATOM 0 H LEU A 75 10.780 13.794 10.095 1.00 0.00 H new ATOM 0 HA LEU A 75 9.379 13.187 7.685 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.096 15.676 7.623 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.565 14.924 9.114 1.00 0.00 H new ATOM 0 HG LEU A 75 11.215 15.589 9.647 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.395 17.970 9.038 1.00 0.00 H new ATOM 0 HD12 LEU A 75 11.339 16.922 7.600 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.893 17.836 8.092 1.00 0.00 H new ATOM 0 HD21 LEU A 75 10.231 17.315 11.107 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.682 17.153 10.246 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.324 15.786 11.187 1.00 0.00 H new ATOM 1214 N TYR A 76 11.733 13.068 6.467 1.00 0.00 N ATOM 1215 CA TYR A 76 12.752 13.195 5.430 1.00 0.00 C ATOM 1216 C TYR A 76 12.942 11.876 4.689 1.00 0.00 C ATOM 1217 O TYR A 76 14.038 11.570 4.219 1.00 0.00 O ATOM 1218 CB TYR A 76 14.079 13.646 6.043 1.00 0.00 C ATOM 1219 CG TYR A 76 15.148 13.950 5.018 1.00 0.00 C ATOM 1220 CD1 TYR A 76 15.071 15.085 4.222 1.00 0.00 C ATOM 1221 CD2 TYR A 76 16.234 13.100 4.846 1.00 0.00 C ATOM 1222 CE1 TYR A 76 16.046 15.367 3.283 1.00 0.00 C ATOM 1223 CE2 TYR A 76 17.213 13.375 3.910 1.00 0.00 C ATOM 1224 CZ TYR A 76 17.114 14.509 3.132 1.00 0.00 C ATOM 1225 OH TYR A 76 18.088 14.786 2.199 1.00 0.00 O ATOM 0 H TYR A 76 11.494 12.106 6.708 1.00 0.00 H new ATOM 0 HA TYR A 76 12.416 13.946 4.715 1.00 0.00 H new ATOM 0 HB2 TYR A 76 13.906 14.535 6.649 1.00 0.00 H new ATOM 0 HB3 TYR A 76 14.442 12.868 6.714 1.00 0.00 H new ATOM 0 HD1 TYR A 76 14.235 15.759 4.338 1.00 0.00 H new ATOM 0 HD2 TYR A 76 16.314 12.211 5.453 1.00 0.00 H new ATOM 0 HE1 TYR A 76 15.971 16.254 2.672 1.00 0.00 H new ATOM 0 HE2 TYR A 76 18.051 12.705 3.789 1.00 0.00 H new ATOM 0 HH TYR A 76 18.771 14.083 2.220 1.00 0.00 H new ATOM 1235 N ASP A 77 11.869 11.097 4.589 1.00 0.00 N ATOM 1236 CA ASP A 77 11.921 9.811 3.903 1.00 0.00 C ATOM 1237 C ASP A 77 11.589 9.969 2.421 1.00 0.00 C ATOM 1238 O ASP A 77 10.799 10.833 2.044 1.00 0.00 O ATOM 1239 CB ASP A 77 10.947 8.825 4.553 1.00 0.00 C ATOM 1240 CG ASP A 77 9.511 9.303 4.488 1.00 0.00 C ATOM 1241 OD1 ASP A 77 9.037 9.612 3.375 1.00 0.00 O ATOM 1242 OD2 ASP A 77 8.859 9.371 5.551 1.00 0.00 O ATOM 0 H ASP A 77 10.954 11.334 4.974 1.00 0.00 H new ATOM 0 HA ASP A 77 12.936 9.422 3.989 1.00 0.00 H new ATOM 0 HB2 ASP A 77 11.028 7.858 4.056 1.00 0.00 H new ATOM 0 HB3 ASP A 77 11.230 8.673 5.595 1.00 0.00 H new ATOM 1247 N PRO A 78 12.191 9.132 1.560 1.00 0.00 N ATOM 1248 CA PRO A 78 11.954 9.183 0.114 1.00 0.00 C ATOM 1249 C PRO A 78 10.567 8.676 -0.263 1.00 0.00 C ATOM 1250 O PRO A 78 9.874 9.281 -1.081 1.00 0.00 O ATOM 1251 CB PRO A 78 13.034 8.262 -0.455 1.00 0.00 C ATOM 1252 CG PRO A 78 13.327 7.301 0.646 1.00 0.00 C ATOM 1253 CD PRO A 78 13.149 8.069 1.926 1.00 0.00 C ATOM 0 HA PRO A 78 11.998 10.202 -0.271 1.00 0.00 H new ATOM 0 HB2 PRO A 78 12.684 7.746 -1.349 1.00 0.00 H new ATOM 0 HB3 PRO A 78 13.924 8.823 -0.739 1.00 0.00 H new ATOM 0 HG2 PRO A 78 12.652 6.446 0.607 1.00 0.00 H new ATOM 0 HG3 PRO A 78 14.341 6.911 0.563 1.00 0.00 H new ATOM 0 HD2 PRO A 78 12.760 7.436 2.723 1.00 0.00 H new ATOM 0 HD3 PRO A 78 14.093 8.484 2.280 1.00 0.00 H new ATOM 1261 N CYS A 79 10.168 7.560 0.339 1.00 0.00 N ATOM 1262 CA CYS A 79 8.862 6.969 0.069 1.00 0.00 C ATOM 1263 C CYS A 79 8.631 5.741 0.942 1.00 0.00 C ATOM 1264 O CYS A 79 9.568 5.190 1.518 1.00 0.00 O ATOM 1265 CB CYS A 79 8.748 6.589 -1.409 1.00 0.00 C ATOM 1266 SG CYS A 79 7.048 6.489 -2.015 1.00 0.00 S ATOM 0 H CYS A 79 10.731 7.047 1.017 1.00 0.00 H new ATOM 0 HA CYS A 79 8.098 7.709 0.306 1.00 0.00 H new ATOM 0 HB2 CYS A 79 9.292 7.322 -2.005 1.00 0.00 H new ATOM 0 HB3 CYS A 79 9.235 5.626 -1.564 1.00 0.00 H new ATOM 0 HG CYS A 79 6.979 5.612 -2.972 1.00 0.00 H new ATOM 1272 N THR A 80 7.375 5.315 1.035 1.00 0.00 N ATOM 1273 CA THR A 80 7.021 4.151 1.839 1.00 0.00 C ATOM 1274 C THR A 80 5.703 3.544 1.364 1.00 0.00 C ATOM 1275 O THR A 80 4.685 4.231 1.283 1.00 0.00 O ATOM 1276 CB THR A 80 6.915 4.538 3.316 1.00 0.00 C ATOM 1277 OG1 THR A 80 8.170 4.975 3.809 1.00 0.00 O ATOM 1278 CG2 THR A 80 6.442 3.406 4.203 1.00 0.00 C ATOM 0 H THR A 80 6.586 5.758 0.564 1.00 0.00 H new ATOM 0 HA THR A 80 7.808 3.406 1.722 1.00 0.00 H new ATOM 0 HB THR A 80 6.174 5.337 3.352 1.00 0.00 H new ATOM 0 HG1 THR A 80 8.862 4.808 3.136 1.00 0.00 H new ATOM 0 HG21 THR A 80 6.390 3.750 5.236 1.00 0.00 H new ATOM 0 HG22 THR A 80 5.454 3.079 3.879 1.00 0.00 H new ATOM 0 HG23 THR A 80 7.141 2.573 4.133 1.00 0.00 H new ATOM 1286 N VAL A 81 5.728 2.252 1.048 1.00 0.00 N ATOM 1287 CA VAL A 81 4.536 1.559 0.580 1.00 0.00 C ATOM 1288 C VAL A 81 4.319 0.259 1.350 1.00 0.00 C ATOM 1289 O VAL A 81 5.257 -0.506 1.573 1.00 0.00 O ATOM 1290 CB VAL A 81 4.641 1.246 -0.923 1.00 0.00 C ATOM 1291 CG1 VAL A 81 3.379 0.557 -1.424 1.00 0.00 C ATOM 1292 CG2 VAL A 81 4.912 2.518 -1.711 1.00 0.00 C ATOM 0 H VAL A 81 6.561 1.666 1.108 1.00 0.00 H new ATOM 0 HA VAL A 81 3.686 2.220 0.752 1.00 0.00 H new ATOM 0 HB VAL A 81 5.477 0.563 -1.074 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.478 0.346 -2.489 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.234 -0.377 -0.881 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.520 1.208 -1.261 1.00 0.00 H new ATOM 0 HG21 VAL A 81 4.984 2.280 -2.772 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.098 3.225 -1.552 1.00 0.00 H new ATOM 0 HG23 VAL A 81 5.849 2.962 -1.375 1.00 0.00 H new ATOM 1302 N MET A 82 3.076 0.011 1.753 1.00 0.00 N ATOM 1303 CA MET A 82 2.745 -1.199 2.497 1.00 0.00 C ATOM 1304 C MET A 82 1.295 -1.608 2.264 1.00 0.00 C ATOM 1305 O MET A 82 0.521 -0.871 1.652 1.00 0.00 O ATOM 1306 CB MET A 82 2.991 -0.985 3.992 1.00 0.00 C ATOM 1307 CG MET A 82 2.452 0.336 4.514 1.00 0.00 C ATOM 1308 SD MET A 82 2.538 0.460 6.311 1.00 0.00 S ATOM 1309 CE MET A 82 3.947 1.549 6.508 1.00 0.00 C ATOM 0 H MET A 82 2.284 0.630 1.577 1.00 0.00 H new ATOM 0 HA MET A 82 3.390 -2.001 2.138 1.00 0.00 H new ATOM 0 HB2 MET A 82 2.530 -1.801 4.548 1.00 0.00 H new ATOM 0 HB3 MET A 82 4.063 -1.033 4.186 1.00 0.00 H new ATOM 0 HG2 MET A 82 3.017 1.155 4.070 1.00 0.00 H new ATOM 0 HG3 MET A 82 1.416 0.453 4.195 1.00 0.00 H new ATOM 0 HE1 MET A 82 4.128 1.722 7.569 1.00 0.00 H new ATOM 0 HE2 MET A 82 4.828 1.089 6.060 1.00 0.00 H new ATOM 0 HE3 MET A 82 3.744 2.500 6.015 1.00 0.00 H new ATOM 1319 N PHE A 83 0.934 -2.788 2.756 1.00 0.00 N ATOM 1320 CA PHE A 83 -0.423 -3.299 2.603 1.00 0.00 C ATOM 1321 C PHE A 83 -1.136 -3.356 3.951 1.00 0.00 C ATOM 1322 O PHE A 83 -0.548 -3.051 4.988 1.00 0.00 O ATOM 1323 CB PHE A 83 -0.399 -4.689 1.967 1.00 0.00 C ATOM 1324 CG PHE A 83 -0.355 -4.663 0.466 1.00 0.00 C ATOM 1325 CD1 PHE A 83 0.719 -4.093 -0.200 1.00 0.00 C ATOM 1326 CD2 PHE A 83 -1.388 -5.208 -0.279 1.00 0.00 C ATOM 1327 CE1 PHE A 83 0.761 -4.068 -1.581 1.00 0.00 C ATOM 1328 CE2 PHE A 83 -1.351 -5.185 -1.661 1.00 0.00 C ATOM 1329 CZ PHE A 83 -0.276 -4.615 -2.313 1.00 0.00 C ATOM 0 H PHE A 83 1.563 -3.409 3.265 1.00 0.00 H new ATOM 0 HA PHE A 83 -0.970 -2.619 1.950 1.00 0.00 H new ATOM 0 HB2 PHE A 83 0.469 -5.234 2.338 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -1.283 -5.241 2.287 1.00 0.00 H new ATOM 0 HD1 PHE A 83 1.532 -3.664 0.367 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.232 -5.656 0.225 1.00 0.00 H new ATOM 0 HE1 PHE A 83 1.604 -3.621 -2.088 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -2.163 -5.613 -2.230 1.00 0.00 H new ATOM 0 HZ PHE A 83 -0.245 -4.597 -3.392 1.00 0.00 H new ATOM 1339 N PHE A 84 -2.405 -3.747 3.926 1.00 0.00 N ATOM 1340 CA PHE A 84 -3.200 -3.845 5.144 1.00 0.00 C ATOM 1341 C PHE A 84 -4.274 -4.919 5.009 1.00 0.00 C ATOM 1342 O PHE A 84 -4.990 -4.972 4.009 1.00 0.00 O ATOM 1343 CB PHE A 84 -3.847 -2.496 5.461 1.00 0.00 C ATOM 1344 CG PHE A 84 -2.983 -1.596 6.297 1.00 0.00 C ATOM 1345 CD1 PHE A 84 -1.994 -0.822 5.710 1.00 0.00 C ATOM 1346 CD2 PHE A 84 -3.158 -1.524 7.670 1.00 0.00 C ATOM 1347 CE1 PHE A 84 -1.197 0.007 6.476 1.00 0.00 C ATOM 1348 CE2 PHE A 84 -2.364 -0.697 8.441 1.00 0.00 C ATOM 1349 CZ PHE A 84 -1.383 0.070 7.844 1.00 0.00 C ATOM 0 H PHE A 84 -2.906 -4.002 3.075 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.536 -4.125 5.962 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.087 -1.989 4.526 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.789 -2.668 5.982 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.845 -0.868 4.641 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -3.924 -2.121 8.143 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.430 0.605 6.006 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -2.510 -0.650 9.510 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.762 0.718 8.445 1.00 0.00 H new ATOM 1359 N PHE A 85 -4.377 -5.774 6.022 1.00 0.00 N ATOM 1360 CA PHE A 85 -5.363 -6.848 6.018 1.00 0.00 C ATOM 1361 C PHE A 85 -5.837 -7.154 7.435 1.00 0.00 C ATOM 1362 O PHE A 85 -5.083 -7.015 8.397 1.00 0.00 O ATOM 1363 CB PHE A 85 -4.771 -8.107 5.382 1.00 0.00 C ATOM 1364 CG PHE A 85 -5.716 -9.275 5.364 1.00 0.00 C ATOM 1365 CD1 PHE A 85 -6.989 -9.145 4.832 1.00 0.00 C ATOM 1366 CD2 PHE A 85 -5.331 -10.502 5.879 1.00 0.00 C ATOM 1367 CE1 PHE A 85 -7.861 -10.218 4.815 1.00 0.00 C ATOM 1368 CE2 PHE A 85 -6.198 -11.578 5.865 1.00 0.00 C ATOM 1369 CZ PHE A 85 -7.465 -11.436 5.332 1.00 0.00 C ATOM 0 H PHE A 85 -3.790 -5.744 6.855 1.00 0.00 H new ATOM 0 HA PHE A 85 -6.221 -6.521 5.430 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.469 -7.879 4.360 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -3.869 -8.389 5.926 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -7.304 -8.195 4.426 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -4.342 -10.619 6.296 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -8.851 -10.104 4.398 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -5.886 -12.529 6.270 1.00 0.00 H new ATOM 0 HZ PHE A 85 -8.144 -12.276 5.320 1.00 0.00 H new ATOM 1379 N ARG A 86 -7.093 -7.573 7.555 1.00 0.00 N ATOM 1380 CA ARG A 86 -7.674 -7.902 8.854 1.00 0.00 C ATOM 1381 C ARG A 86 -7.486 -6.757 9.845 1.00 0.00 C ATOM 1382 O ARG A 86 -7.377 -6.979 11.050 1.00 0.00 O ATOM 1383 CB ARG A 86 -7.042 -9.181 9.407 1.00 0.00 C ATOM 1384 CG ARG A 86 -8.042 -10.115 10.070 1.00 0.00 C ATOM 1385 CD ARG A 86 -7.988 -10.007 11.586 1.00 0.00 C ATOM 1386 NE ARG A 86 -9.317 -10.077 12.188 1.00 0.00 N ATOM 1387 CZ ARG A 86 -9.535 -10.341 13.474 1.00 0.00 C ATOM 1388 NH1 ARG A 86 -8.517 -10.561 14.297 1.00 0.00 N ATOM 1389 NH2 ARG A 86 -10.776 -10.387 13.940 1.00 0.00 N ATOM 0 H ARG A 86 -7.730 -7.693 6.767 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.743 -8.062 8.715 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -6.545 -9.711 8.595 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -6.272 -8.913 10.131 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -9.048 -9.878 9.723 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -7.836 -11.142 9.770 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -7.367 -10.809 11.985 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -7.513 -9.067 11.866 1.00 0.00 H new ATOM 0 HE ARG A 86 -10.125 -9.914 11.588 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -7.560 -10.528 13.945 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -8.692 -10.763 15.282 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -11.563 -10.220 13.313 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -10.943 -10.589 14.926 1.00 0.00 H new ATOM 1403 N ASN A 87 -7.448 -5.532 9.329 1.00 0.00 N ATOM 1404 CA ASN A 87 -7.272 -4.354 10.170 1.00 0.00 C ATOM 1405 C ASN A 87 -5.947 -4.417 10.921 1.00 0.00 C ATOM 1406 O ASN A 87 -5.827 -3.901 12.034 1.00 0.00 O ATOM 1407 CB ASN A 87 -8.430 -4.232 11.162 1.00 0.00 C ATOM 1408 CG ASN A 87 -8.395 -2.928 11.934 1.00 0.00 C ATOM 1409 OD1 ASN A 87 -7.640 -2.015 11.599 1.00 0.00 O ATOM 1410 ND2 ASN A 87 -9.214 -2.835 12.975 1.00 0.00 N ATOM 0 H ASN A 87 -7.537 -5.330 8.333 1.00 0.00 H new ATOM 0 HA ASN A 87 -7.262 -3.475 9.525 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -9.375 -4.307 10.624 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -8.394 -5.067 11.862 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -9.234 -1.982 13.533 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -9.823 -3.617 13.216 1.00 0.00 H new ATOM 1417 N LYS A 88 -4.953 -5.053 10.308 1.00 0.00 N ATOM 1418 CA LYS A 88 -3.636 -5.184 10.920 1.00 0.00 C ATOM 1419 C LYS A 88 -2.562 -4.558 10.035 1.00 0.00 C ATOM 1420 O LYS A 88 -2.868 -3.870 9.063 1.00 0.00 O ATOM 1421 CB LYS A 88 -3.312 -6.658 11.172 1.00 0.00 C ATOM 1422 CG LYS A 88 -2.593 -6.906 12.488 1.00 0.00 C ATOM 1423 CD LYS A 88 -3.562 -7.322 13.582 1.00 0.00 C ATOM 1424 CE LYS A 88 -2.909 -7.267 14.954 1.00 0.00 C ATOM 1425 NZ LYS A 88 -3.206 -5.990 15.660 1.00 0.00 N ATOM 0 H LYS A 88 -5.035 -5.486 9.388 1.00 0.00 H new ATOM 0 HA LYS A 88 -3.650 -4.655 11.873 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.238 -7.232 11.160 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.695 -7.031 10.354 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -1.841 -7.683 12.352 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.066 -6.002 12.792 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -4.433 -6.667 13.566 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -3.919 -8.333 13.388 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -3.260 -8.105 15.557 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -1.830 -7.380 14.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -2.743 -5.992 16.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -2.849 -5.191 15.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -4.234 -5.893 15.785 1.00 0.00 H new ATOM 1439 N HIS A 89 -1.301 -4.803 10.379 1.00 0.00 N ATOM 1440 CA HIS A 89 -0.182 -4.264 9.616 1.00 0.00 C ATOM 1441 C HIS A 89 0.435 -5.334 8.722 1.00 0.00 C ATOM 1442 O HIS A 89 0.984 -6.323 9.209 1.00 0.00 O ATOM 1443 CB HIS A 89 0.880 -3.697 10.560 1.00 0.00 C ATOM 1444 CG HIS A 89 1.559 -2.472 10.030 1.00 0.00 C ATOM 1445 ND1 HIS A 89 2.692 -2.519 9.246 1.00 0.00 N ATOM 1446 CD2 HIS A 89 1.258 -1.159 10.175 1.00 0.00 C ATOM 1447 CE1 HIS A 89 3.061 -1.290 8.933 1.00 0.00 C ATOM 1448 NE2 HIS A 89 2.207 -0.446 9.483 1.00 0.00 N ATOM 0 H HIS A 89 -1.029 -5.371 11.181 1.00 0.00 H new ATOM 0 HA HIS A 89 -0.561 -3.462 8.982 1.00 0.00 H new ATOM 0 HB2 HIS A 89 0.415 -3.459 11.517 1.00 0.00 H new ATOM 0 HB3 HIS A 89 1.630 -4.464 10.752 1.00 0.00 H new ATOM 0 HD2 HIS A 89 0.427 -0.749 10.731 1.00 0.00 H new ATOM 0 HE1 HIS A 89 3.916 -1.021 8.330 1.00 0.00 H new ATOM 0 HE2 HIS A 89 2.246 0.570 9.406 1.00 0.00 H new ATOM 1457 N ILE A 90 0.341 -5.131 7.412 1.00 0.00 N ATOM 1458 CA ILE A 90 0.890 -6.078 6.449 1.00 0.00 C ATOM 1459 C ILE A 90 2.150 -5.524 5.794 1.00 0.00 C ATOM 1460 O ILE A 90 2.186 -4.370 5.369 1.00 0.00 O ATOM 1461 CB ILE A 90 -0.134 -6.425 5.353 1.00 0.00 C ATOM 1462 CG1 ILE A 90 -1.486 -6.776 5.979 1.00 0.00 C ATOM 1463 CG2 ILE A 90 0.374 -7.575 4.498 1.00 0.00 C ATOM 1464 CD1 ILE A 90 -1.449 -8.023 6.836 1.00 0.00 C ATOM 0 H ILE A 90 -0.111 -4.318 6.993 1.00 0.00 H new ATOM 0 HA ILE A 90 1.137 -6.984 7.002 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.267 -5.553 4.713 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.825 -5.937 6.587 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -2.221 -6.912 5.185 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -0.361 -7.808 3.728 1.00 0.00 H new ATOM 0 HG22 ILE A 90 1.315 -7.290 4.027 1.00 0.00 H new ATOM 0 HG23 ILE A 90 0.533 -8.452 5.125 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -2.441 -8.211 7.247 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -1.141 -8.873 6.228 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.739 -7.883 7.651 1.00 0.00 H new ATOM 1476 N MET A 91 3.185 -6.355 5.716 1.00 0.00 N ATOM 1477 CA MET A 91 4.450 -5.947 5.114 1.00 0.00 C ATOM 1478 C MET A 91 4.581 -6.498 3.698 1.00 0.00 C ATOM 1479 O MET A 91 4.183 -7.629 3.419 1.00 0.00 O ATOM 1480 CB MET A 91 5.623 -6.426 5.970 1.00 0.00 C ATOM 1481 CG MET A 91 6.018 -5.446 7.062 1.00 0.00 C ATOM 1482 SD MET A 91 6.657 -6.267 8.535 1.00 0.00 S ATOM 1483 CE MET A 91 6.765 -4.887 9.672 1.00 0.00 C ATOM 0 H MET A 91 3.173 -7.314 6.062 1.00 0.00 H new ATOM 0 HA MET A 91 4.466 -4.858 5.064 1.00 0.00 H new ATOM 0 HB2 MET A 91 5.363 -7.381 6.427 1.00 0.00 H new ATOM 0 HB3 MET A 91 6.483 -6.605 5.325 1.00 0.00 H new ATOM 0 HG2 MET A 91 6.774 -4.762 6.675 1.00 0.00 H new ATOM 0 HG3 MET A 91 5.152 -4.843 7.334 1.00 0.00 H new ATOM 0 HE1 MET A 91 7.146 -5.235 10.632 1.00 0.00 H new ATOM 0 HE2 MET A 91 7.440 -4.133 9.266 1.00 0.00 H new ATOM 0 HE3 MET A 91 5.775 -4.452 9.811 1.00 0.00 H new ATOM 1493 N ILE A 92 5.143 -5.689 2.805 1.00 0.00 N ATOM 1494 CA ILE A 92 5.330 -6.092 1.417 1.00 0.00 C ATOM 1495 C ILE A 92 6.647 -5.553 0.863 1.00 0.00 C ATOM 1496 O ILE A 92 7.446 -4.971 1.597 1.00 0.00 O ATOM 1497 CB ILE A 92 4.167 -5.605 0.528 1.00 0.00 C ATOM 1498 CG1 ILE A 92 4.091 -4.076 0.530 1.00 0.00 C ATOM 1499 CG2 ILE A 92 2.852 -6.205 1.003 1.00 0.00 C ATOM 1500 CD1 ILE A 92 3.742 -3.487 -0.819 1.00 0.00 C ATOM 0 H ILE A 92 5.477 -4.749 3.019 1.00 0.00 H new ATOM 0 HA ILE A 92 5.353 -7.182 1.402 1.00 0.00 H new ATOM 0 HB ILE A 92 4.351 -5.937 -0.494 1.00 0.00 H new ATOM 0 HG12 ILE A 92 3.346 -3.758 1.260 1.00 0.00 H new ATOM 0 HG13 ILE A 92 5.050 -3.673 0.856 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.040 -5.853 0.367 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.908 -7.292 0.951 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.664 -5.901 2.033 1.00 0.00 H new ATOM 0 HD11 ILE A 92 3.706 -2.400 -0.743 1.00 0.00 H new ATOM 0 HD12 ILE A 92 4.499 -3.775 -1.548 1.00 0.00 H new ATOM 0 HD13 ILE A 92 2.769 -3.861 -1.139 1.00 0.00 H new ATOM 1512 N ASP A 93 6.865 -5.748 -0.433 1.00 0.00 N ATOM 1513 CA ASP A 93 8.084 -5.279 -1.081 1.00 0.00 C ATOM 1514 C ASP A 93 7.794 -4.797 -2.497 1.00 0.00 C ATOM 1515 O ASP A 93 7.375 -5.575 -3.355 1.00 0.00 O ATOM 1516 CB ASP A 93 9.132 -6.394 -1.111 1.00 0.00 C ATOM 1517 CG ASP A 93 10.523 -5.889 -0.782 1.00 0.00 C ATOM 1518 OD1 ASP A 93 10.753 -4.667 -0.894 1.00 0.00 O ATOM 1519 OD2 ASP A 93 11.382 -6.716 -0.412 1.00 0.00 O ATOM 0 H ASP A 93 6.214 -6.227 -1.055 1.00 0.00 H new ATOM 0 HA ASP A 93 8.474 -4.440 -0.504 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.853 -7.171 -0.399 1.00 0.00 H new ATOM 0 HB3 ASP A 93 9.140 -6.855 -2.099 1.00 0.00 H new ATOM 1524 N LEU A 94 8.018 -3.509 -2.739 1.00 0.00 N ATOM 1525 CA LEU A 94 7.779 -2.928 -4.055 1.00 0.00 C ATOM 1526 C LEU A 94 8.793 -3.448 -5.068 1.00 0.00 C ATOM 1527 O LEU A 94 8.424 -3.965 -6.123 1.00 0.00 O ATOM 1528 CB LEU A 94 7.852 -1.399 -3.988 1.00 0.00 C ATOM 1529 CG LEU A 94 6.657 -0.711 -3.320 1.00 0.00 C ATOM 1530 CD1 LEU A 94 6.729 0.794 -3.527 1.00 0.00 C ATOM 1531 CD2 LEU A 94 5.344 -1.262 -3.862 1.00 0.00 C ATOM 0 H LEU A 94 8.364 -2.849 -2.042 1.00 0.00 H new ATOM 0 HA LEU A 94 6.780 -3.223 -4.376 1.00 0.00 H new ATOM 0 HB2 LEU A 94 8.758 -1.119 -3.450 1.00 0.00 H new ATOM 0 HB3 LEU A 94 7.951 -1.012 -5.002 1.00 0.00 H new ATOM 0 HG LEU A 94 6.697 -0.917 -2.250 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.873 1.269 -3.047 1.00 0.00 H new ATOM 0 HD12 LEU A 94 7.650 1.178 -3.089 1.00 0.00 H new ATOM 0 HD13 LEU A 94 6.715 1.016 -4.594 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.509 -0.759 -3.374 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.293 -1.089 -4.937 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.289 -2.332 -3.664 1.00 0.00 H new ATOM 1543 N GLY A 95 10.073 -3.307 -4.739 1.00 0.00 N ATOM 1544 CA GLY A 95 11.124 -3.765 -5.630 1.00 0.00 C ATOM 1545 C GLY A 95 11.937 -4.899 -5.037 1.00 0.00 C ATOM 1546 O GLY A 95 12.453 -5.747 -5.764 1.00 0.00 O ATOM 0 H GLY A 95 10.402 -2.884 -3.871 1.00 0.00 H new ATOM 0 HA2 GLY A 95 10.681 -4.093 -6.570 1.00 0.00 H new ATOM 0 HA3 GLY A 95 11.786 -2.931 -5.864 1.00 0.00 H new ATOM 1550 N THR A 96 12.051 -4.915 -3.712 1.00 0.00 N ATOM 1551 CA THR A 96 12.808 -5.954 -3.021 1.00 0.00 C ATOM 1552 C THR A 96 14.284 -5.898 -3.404 1.00 0.00 C ATOM 1553 O THR A 96 14.633 -5.960 -4.583 1.00 0.00 O ATOM 1554 CB THR A 96 12.237 -7.336 -3.348 1.00 0.00 C ATOM 1555 OG1 THR A 96 10.833 -7.271 -3.516 1.00 0.00 O ATOM 1556 CG2 THR A 96 12.524 -8.369 -2.280 1.00 0.00 C ATOM 0 H THR A 96 11.629 -4.221 -3.096 1.00 0.00 H new ATOM 0 HA THR A 96 12.722 -5.778 -1.949 1.00 0.00 H new ATOM 0 HB THR A 96 12.731 -7.642 -4.270 1.00 0.00 H new ATOM 0 HG1 THR A 96 10.621 -7.204 -4.470 1.00 0.00 H new ATOM 0 HG21 THR A 96 12.092 -9.326 -2.574 1.00 0.00 H new ATOM 0 HG22 THR A 96 13.602 -8.479 -2.160 1.00 0.00 H new ATOM 0 HG23 THR A 96 12.085 -8.047 -1.336 1.00 0.00 H new ATOM 1564 N GLY A 97 15.146 -5.781 -2.399 1.00 0.00 N ATOM 1565 CA GLY A 97 16.573 -5.719 -2.650 1.00 0.00 C ATOM 1566 C GLY A 97 17.385 -6.365 -1.545 1.00 0.00 C ATOM 1567 O GLY A 97 18.295 -7.150 -1.811 1.00 0.00 O ATOM 0 H GLY A 97 14.881 -5.728 -1.415 1.00 0.00 H new ATOM 0 HA2 GLY A 97 16.794 -6.214 -3.596 1.00 0.00 H new ATOM 0 HA3 GLY A 97 16.875 -4.677 -2.757 1.00 0.00 H new ATOM 1571 N ASN A 98 17.057 -6.033 -0.300 1.00 0.00 N ATOM 1572 CA ASN A 98 17.762 -6.586 0.851 1.00 0.00 C ATOM 1573 C ASN A 98 16.814 -7.389 1.735 1.00 0.00 C ATOM 1574 O ASN A 98 16.885 -8.617 1.785 1.00 0.00 O ATOM 1575 CB ASN A 98 18.411 -5.465 1.664 1.00 0.00 C ATOM 1576 CG ASN A 98 19.440 -4.691 0.863 1.00 0.00 C ATOM 1577 OD1 ASN A 98 20.382 -5.267 0.320 1.00 0.00 O ATOM 1578 ND2 ASN A 98 19.264 -3.376 0.787 1.00 0.00 N ATOM 0 H ASN A 98 16.307 -5.384 -0.063 1.00 0.00 H new ATOM 0 HA ASN A 98 18.540 -7.255 0.483 1.00 0.00 H new ATOM 0 HB2 ASN A 98 17.639 -4.781 2.016 1.00 0.00 H new ATOM 0 HB3 ASN A 98 18.887 -5.890 2.548 1.00 0.00 H new ATOM 0 HD21 ASN A 98 19.925 -2.803 0.263 1.00 0.00 H new ATOM 0 HD22 ASN A 98 18.468 -2.940 1.253 1.00 0.00 H new ATOM 1585 N ASN A 99 15.924 -6.686 2.430 1.00 0.00 N ATOM 1586 CA ASN A 99 14.960 -7.334 3.313 1.00 0.00 C ATOM 1587 C ASN A 99 13.532 -7.052 2.856 1.00 0.00 C ATOM 1588 O ASN A 99 12.834 -7.948 2.382 1.00 0.00 O ATOM 1589 CB ASN A 99 15.153 -6.854 4.753 1.00 0.00 C ATOM 1590 CG ASN A 99 15.017 -7.980 5.760 1.00 0.00 C ATOM 1591 OD1 ASN A 99 16.004 -8.438 6.334 1.00 0.00 O ATOM 1592 ND2 ASN A 99 13.787 -8.433 5.977 1.00 0.00 N ATOM 0 H ASN A 99 15.851 -5.669 2.399 1.00 0.00 H new ATOM 0 HA ASN A 99 15.130 -8.410 3.271 1.00 0.00 H new ATOM 0 HB2 ASN A 99 16.138 -6.398 4.852 1.00 0.00 H new ATOM 0 HB3 ASN A 99 14.419 -6.079 4.977 1.00 0.00 H new ATOM 0 HD21 ASN A 99 13.632 -9.191 6.642 1.00 0.00 H new ATOM 0 HD22 ASN A 99 12.997 -8.023 5.478 1.00 0.00 H new ATOM 1599 N ASN A 100 13.106 -5.802 3.002 1.00 0.00 N ATOM 1600 CA ASN A 100 11.760 -5.403 2.604 1.00 0.00 C ATOM 1601 C ASN A 100 11.673 -3.891 2.416 1.00 0.00 C ATOM 1602 O ASN A 100 10.614 -3.293 2.608 1.00 0.00 O ATOM 1603 CB ASN A 100 10.740 -5.858 3.648 1.00 0.00 C ATOM 1604 CG ASN A 100 11.077 -5.362 5.041 1.00 0.00 C ATOM 1605 OD1 ASN A 100 12.150 -4.804 5.271 1.00 0.00 O ATOM 1606 ND2 ASN A 100 10.159 -5.562 5.979 1.00 0.00 N ATOM 0 H ASN A 100 13.672 -5.048 3.392 1.00 0.00 H new ATOM 0 HA ASN A 100 11.533 -5.883 1.652 1.00 0.00 H new ATOM 0 HB2 ASN A 100 9.751 -5.497 3.366 1.00 0.00 H new ATOM 0 HB3 ASN A 100 10.692 -6.947 3.655 1.00 0.00 H new ATOM 0 HD21 ASN A 100 10.330 -5.249 6.935 1.00 0.00 H new ATOM 0 HD22 ASN A 100 9.283 -6.029 5.744 1.00 0.00 H new ATOM 1613 N LYS A 101 12.794 -3.278 2.044 1.00 0.00 N ATOM 1614 CA LYS A 101 12.850 -1.838 1.832 1.00 0.00 C ATOM 1615 C LYS A 101 11.730 -1.370 0.906 1.00 0.00 C ATOM 1616 O LYS A 101 11.876 -1.382 -0.316 1.00 0.00 O ATOM 1617 CB LYS A 101 14.207 -1.441 1.249 1.00 0.00 C ATOM 1618 CG LYS A 101 14.601 -0.005 1.549 1.00 0.00 C ATOM 1619 CD LYS A 101 16.109 0.148 1.662 1.00 0.00 C ATOM 1620 CE LYS A 101 16.572 1.505 1.160 1.00 0.00 C ATOM 1621 NZ LYS A 101 17.110 1.432 -0.227 1.00 0.00 N ATOM 0 H LYS A 101 13.678 -3.760 1.883 1.00 0.00 H new ATOM 0 HA LYS A 101 12.718 -1.353 2.799 1.00 0.00 H new ATOM 0 HB2 LYS A 101 14.972 -2.109 1.644 1.00 0.00 H new ATOM 0 HB3 LYS A 101 14.185 -1.585 0.169 1.00 0.00 H new ATOM 0 HG2 LYS A 101 14.226 0.648 0.761 1.00 0.00 H new ATOM 0 HG3 LYS A 101 14.131 0.315 2.479 1.00 0.00 H new ATOM 0 HD2 LYS A 101 16.411 0.021 2.702 1.00 0.00 H new ATOM 0 HD3 LYS A 101 16.599 -0.639 1.089 1.00 0.00 H new ATOM 0 HE2 LYS A 101 15.738 2.206 1.189 1.00 0.00 H new ATOM 0 HE3 LYS A 101 17.340 1.896 1.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 17.415 2.379 -0.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 17.922 0.783 -0.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 16.369 1.084 -0.869 1.00 0.00 H new ATOM 1635 N ILE A 102 10.611 -0.958 1.497 1.00 0.00 N ATOM 1636 CA ILE A 102 9.468 -0.487 0.735 1.00 0.00 C ATOM 1637 C ILE A 102 9.538 1.013 0.501 1.00 0.00 C ATOM 1638 O ILE A 102 8.533 1.718 0.578 1.00 0.00 O ATOM 1639 CB ILE A 102 8.155 -0.821 1.459 1.00 0.00 C ATOM 1640 CG1 ILE A 102 8.276 -0.494 2.949 1.00 0.00 C ATOM 1641 CG2 ILE A 102 7.790 -2.282 1.253 1.00 0.00 C ATOM 1642 CD1 ILE A 102 7.021 0.105 3.545 1.00 0.00 C ATOM 0 H ILE A 102 10.476 -0.943 2.508 1.00 0.00 H new ATOM 0 HA ILE A 102 9.493 -0.996 -0.228 1.00 0.00 H new ATOM 0 HB ILE A 102 7.357 -0.211 1.037 1.00 0.00 H new ATOM 0 HG12 ILE A 102 8.526 -1.405 3.492 1.00 0.00 H new ATOM 0 HG13 ILE A 102 9.103 0.201 3.093 1.00 0.00 H new ATOM 0 HG21 ILE A 102 6.857 -2.501 1.773 1.00 0.00 H new ATOM 0 HG22 ILE A 102 7.667 -2.480 0.188 1.00 0.00 H new ATOM 0 HG23 ILE A 102 8.584 -2.915 1.650 1.00 0.00 H new ATOM 0 HD11 ILE A 102 7.183 0.310 4.603 1.00 0.00 H new ATOM 0 HD12 ILE A 102 6.780 1.034 3.028 1.00 0.00 H new ATOM 0 HD13 ILE A 102 6.194 -0.597 3.434 1.00 0.00 H new ATOM 1654 N ASN A 103 10.733 1.487 0.209 1.00 0.00 N ATOM 1655 CA ASN A 103 10.960 2.904 -0.045 1.00 0.00 C ATOM 1656 C ASN A 103 11.282 3.146 -1.517 1.00 0.00 C ATOM 1657 O ASN A 103 10.962 4.199 -2.067 1.00 0.00 O ATOM 1658 CB ASN A 103 12.100 3.425 0.832 1.00 0.00 C ATOM 1659 CG ASN A 103 11.929 3.044 2.289 1.00 0.00 C ATOM 1660 OD1 ASN A 103 10.854 2.613 2.708 1.00 0.00 O ATOM 1661 ND2 ASN A 103 12.990 3.204 3.071 1.00 0.00 N ATOM 0 H ASN A 103 11.571 0.909 0.140 1.00 0.00 H new ATOM 0 HA ASN A 103 10.046 3.444 0.203 1.00 0.00 H new ATOM 0 HB2 ASN A 103 13.047 3.030 0.465 1.00 0.00 H new ATOM 0 HB3 ASN A 103 12.153 4.510 0.747 1.00 0.00 H new ATOM 0 HD21 ASN A 103 12.934 2.967 4.061 1.00 0.00 H new ATOM 0 HD22 ASN A 103 13.861 3.564 2.681 1.00 0.00 H new ATOM 1668 N TRP A 104 11.916 2.161 -2.147 1.00 0.00 N ATOM 1669 CA TRP A 104 12.282 2.263 -3.555 1.00 0.00 C ATOM 1670 C TRP A 104 11.408 1.351 -4.410 1.00 0.00 C ATOM 1671 O TRP A 104 10.635 0.548 -3.886 1.00 0.00 O ATOM 1672 CB TRP A 104 13.757 1.903 -3.747 1.00 0.00 C ATOM 1673 CG TRP A 104 14.449 2.757 -4.766 1.00 0.00 C ATOM 1674 CD1 TRP A 104 14.659 2.456 -6.081 1.00 0.00 C ATOM 1675 CD2 TRP A 104 15.024 4.050 -4.552 1.00 0.00 C ATOM 1676 NE1 TRP A 104 15.329 3.485 -6.698 1.00 0.00 N ATOM 1677 CE2 TRP A 104 15.564 4.475 -5.781 1.00 0.00 C ATOM 1678 CE3 TRP A 104 15.132 4.893 -3.442 1.00 0.00 C ATOM 1679 CZ2 TRP A 104 16.203 5.704 -5.928 1.00 0.00 C ATOM 1680 CZ3 TRP A 104 15.768 6.111 -3.589 1.00 0.00 C ATOM 1681 CH2 TRP A 104 16.296 6.507 -4.826 1.00 0.00 C ATOM 0 H TRP A 104 12.187 1.283 -1.704 1.00 0.00 H new ATOM 0 HA TRP A 104 12.122 3.293 -3.874 1.00 0.00 H new ATOM 0 HB2 TRP A 104 14.274 1.998 -2.792 1.00 0.00 H new ATOM 0 HB3 TRP A 104 13.832 0.858 -4.048 1.00 0.00 H new ATOM 0 HD1 TRP A 104 14.345 1.543 -6.565 1.00 0.00 H new ATOM 0 HE1 TRP A 104 15.606 3.508 -7.679 1.00 0.00 H new ATOM 0 HE3 TRP A 104 14.725 4.597 -2.486 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 16.611 6.012 -6.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 15.860 6.769 -2.737 1.00 0.00 H new ATOM 0 HH2 TRP A 104 16.786 7.466 -4.910 1.00 0.00 H new ATOM 1692 N ALA A 105 11.531 1.481 -5.726 1.00 0.00 N ATOM 1693 CA ALA A 105 10.749 0.667 -6.649 1.00 0.00 C ATOM 1694 C ALA A 105 11.238 0.833 -8.084 1.00 0.00 C ATOM 1695 O ALA A 105 11.603 1.931 -8.503 1.00 0.00 O ATOM 1696 CB ALA A 105 9.274 1.025 -6.545 1.00 0.00 C ATOM 0 H ALA A 105 12.164 2.141 -6.177 1.00 0.00 H new ATOM 0 HA ALA A 105 10.879 -0.379 -6.371 1.00 0.00 H new ATOM 0 HB1 ALA A 105 8.701 0.410 -7.239 1.00 0.00 H new ATOM 0 HB2 ALA A 105 8.927 0.844 -5.528 1.00 0.00 H new ATOM 0 HB3 ALA A 105 9.137 2.077 -6.794 1.00 0.00 H new ATOM 1702 N MET A 106 11.240 -0.266 -8.833 1.00 0.00 N ATOM 1703 CA MET A 106 11.684 -0.244 -10.222 1.00 0.00 C ATOM 1704 C MET A 106 11.519 -1.617 -10.869 1.00 0.00 C ATOM 1705 O MET A 106 12.437 -2.127 -11.512 1.00 0.00 O ATOM 1706 CB MET A 106 13.145 0.202 -10.305 1.00 0.00 C ATOM 1707 CG MET A 106 13.492 0.917 -11.601 1.00 0.00 C ATOM 1708 SD MET A 106 15.267 0.975 -11.909 1.00 0.00 S ATOM 1709 CE MET A 106 15.858 1.654 -10.361 1.00 0.00 C ATOM 0 H MET A 106 10.939 -1.182 -8.501 1.00 0.00 H new ATOM 0 HA MET A 106 11.063 0.469 -10.765 1.00 0.00 H new ATOM 0 HB2 MET A 106 13.362 0.863 -9.466 1.00 0.00 H new ATOM 0 HB3 MET A 106 13.789 -0.671 -10.198 1.00 0.00 H new ATOM 0 HG2 MET A 106 12.999 0.413 -12.432 1.00 0.00 H new ATOM 0 HG3 MET A 106 13.100 1.933 -11.567 1.00 0.00 H new ATOM 0 HE1 MET A 106 16.891 1.982 -10.478 1.00 0.00 H new ATOM 0 HE2 MET A 106 15.238 2.504 -10.076 1.00 0.00 H new ATOM 0 HE3 MET A 106 15.805 0.890 -9.585 1.00 0.00 H new ATOM 1719 N GLU A 107 10.342 -2.210 -10.694 1.00 0.00 N ATOM 1720 CA GLU A 107 10.058 -3.526 -11.262 1.00 0.00 C ATOM 1721 C GLU A 107 8.725 -3.533 -12.011 1.00 0.00 C ATOM 1722 O GLU A 107 8.245 -4.588 -12.428 1.00 0.00 O ATOM 1723 CB GLU A 107 10.039 -4.581 -10.158 1.00 0.00 C ATOM 1724 CG GLU A 107 11.306 -5.419 -10.099 1.00 0.00 C ATOM 1725 CD GLU A 107 11.975 -5.374 -8.738 1.00 0.00 C ATOM 1726 OE1 GLU A 107 12.333 -4.265 -8.289 1.00 0.00 O ATOM 1727 OE2 GLU A 107 12.139 -6.448 -8.122 1.00 0.00 O ATOM 0 H GLU A 107 9.571 -1.803 -10.165 1.00 0.00 H new ATOM 0 HA GLU A 107 10.849 -3.761 -11.975 1.00 0.00 H new ATOM 0 HB2 GLU A 107 9.894 -4.087 -9.197 1.00 0.00 H new ATOM 0 HB3 GLU A 107 9.184 -5.240 -10.310 1.00 0.00 H new ATOM 0 HG2 GLU A 107 11.065 -6.453 -10.347 1.00 0.00 H new ATOM 0 HG3 GLU A 107 12.006 -5.065 -10.855 1.00 0.00 H new ATOM 1734 N ASP A 108 8.133 -2.354 -12.178 1.00 0.00 N ATOM 1735 CA ASP A 108 6.858 -2.222 -12.880 1.00 0.00 C ATOM 1736 C ASP A 108 5.841 -3.252 -12.383 1.00 0.00 C ATOM 1737 O ASP A 108 5.968 -3.775 -11.275 1.00 0.00 O ATOM 1738 CB ASP A 108 7.071 -2.373 -14.390 1.00 0.00 C ATOM 1739 CG ASP A 108 8.285 -1.612 -14.885 1.00 0.00 C ATOM 1740 OD1 ASP A 108 8.248 -0.363 -14.876 1.00 0.00 O ATOM 1741 OD2 ASP A 108 9.274 -2.264 -15.282 1.00 0.00 O ATOM 0 H ASP A 108 8.517 -1.473 -11.836 1.00 0.00 H new ATOM 0 HA ASP A 108 6.458 -1.229 -12.672 1.00 0.00 H new ATOM 0 HB2 ASP A 108 7.184 -3.429 -14.634 1.00 0.00 H new ATOM 0 HB3 ASP A 108 6.185 -2.018 -14.916 1.00 0.00 H new ATOM 1746 N LYS A 109 4.834 -3.539 -13.206 1.00 0.00 N ATOM 1747 CA LYS A 109 3.799 -4.503 -12.848 1.00 0.00 C ATOM 1748 C LYS A 109 4.407 -5.848 -12.458 1.00 0.00 C ATOM 1749 O LYS A 109 3.787 -6.633 -11.743 1.00 0.00 O ATOM 1750 CB LYS A 109 2.827 -4.693 -14.014 1.00 0.00 C ATOM 1751 CG LYS A 109 3.509 -5.053 -15.323 1.00 0.00 C ATOM 1752 CD LYS A 109 2.787 -4.444 -16.514 1.00 0.00 C ATOM 1753 CE LYS A 109 2.822 -2.925 -16.468 1.00 0.00 C ATOM 1754 NZ LYS A 109 2.952 -2.332 -17.828 1.00 0.00 N ATOM 0 H LYS A 109 4.714 -3.116 -14.126 1.00 0.00 H new ATOM 0 HA LYS A 109 3.259 -4.109 -11.987 1.00 0.00 H new ATOM 0 HB2 LYS A 109 2.114 -5.477 -13.758 1.00 0.00 H new ATOM 0 HB3 LYS A 109 2.255 -3.775 -14.152 1.00 0.00 H new ATOM 0 HG2 LYS A 109 4.541 -4.704 -15.305 1.00 0.00 H new ATOM 0 HG3 LYS A 109 3.541 -6.137 -15.431 1.00 0.00 H new ATOM 0 HD2 LYS A 109 3.249 -4.792 -17.438 1.00 0.00 H new ATOM 0 HD3 LYS A 109 1.752 -4.785 -16.527 1.00 0.00 H new ATOM 0 HE2 LYS A 109 1.912 -2.555 -15.996 1.00 0.00 H new ATOM 0 HE3 LYS A 109 3.658 -2.600 -15.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 2.972 -1.295 -17.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 3.833 -2.665 -18.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 2.142 -2.622 -18.412 1.00 0.00 H new ATOM 1768 N GLN A 110 5.622 -6.110 -12.931 1.00 0.00 N ATOM 1769 CA GLN A 110 6.308 -7.363 -12.626 1.00 0.00 C ATOM 1770 C GLN A 110 6.282 -7.651 -11.126 1.00 0.00 C ATOM 1771 O GLN A 110 5.797 -8.696 -10.694 1.00 0.00 O ATOM 1772 CB GLN A 110 7.753 -7.311 -13.125 1.00 0.00 C ATOM 1773 CG GLN A 110 8.157 -8.526 -13.943 1.00 0.00 C ATOM 1774 CD GLN A 110 9.632 -8.854 -13.812 1.00 0.00 C ATOM 1775 OE1 GLN A 110 10.213 -8.728 -12.735 1.00 0.00 O ATOM 1776 NE2 GLN A 110 10.243 -9.276 -14.913 1.00 0.00 N ATOM 0 H GLN A 110 6.152 -5.473 -13.526 1.00 0.00 H new ATOM 0 HA GLN A 110 5.783 -8.169 -13.138 1.00 0.00 H new ATOM 0 HB2 GLN A 110 7.888 -6.415 -13.730 1.00 0.00 H new ATOM 0 HB3 GLN A 110 8.421 -7.221 -12.269 1.00 0.00 H new ATOM 0 HG2 GLN A 110 7.568 -9.386 -13.624 1.00 0.00 H new ATOM 0 HG3 GLN A 110 7.920 -8.348 -14.992 1.00 0.00 H new ATOM 0 HE21 GLN A 110 9.720 -9.365 -15.784 1.00 0.00 H new ATOM 0 HE22 GLN A 110 11.235 -9.511 -14.887 1.00 0.00 H new ATOM 1785 N GLU A 111 6.801 -6.715 -10.337 1.00 0.00 N ATOM 1786 CA GLU A 111 6.830 -6.875 -8.887 1.00 0.00 C ATOM 1787 C GLU A 111 5.423 -6.785 -8.305 1.00 0.00 C ATOM 1788 O GLU A 111 5.069 -7.531 -7.391 1.00 0.00 O ATOM 1789 CB GLU A 111 7.728 -5.811 -8.250 1.00 0.00 C ATOM 1790 CG GLU A 111 9.120 -6.318 -7.906 1.00 0.00 C ATOM 1791 CD GLU A 111 9.114 -7.294 -6.747 1.00 0.00 C ATOM 1792 OE1 GLU A 111 8.907 -8.502 -6.989 1.00 0.00 O ATOM 1793 OE2 GLU A 111 9.318 -6.852 -5.597 1.00 0.00 O ATOM 0 H GLU A 111 7.205 -5.842 -10.675 1.00 0.00 H new ATOM 0 HA GLU A 111 7.236 -7.861 -8.663 1.00 0.00 H new ATOM 0 HB2 GLU A 111 7.816 -4.966 -8.932 1.00 0.00 H new ATOM 0 HB3 GLU A 111 7.251 -5.440 -7.343 1.00 0.00 H new ATOM 0 HG2 GLU A 111 9.553 -6.802 -8.781 1.00 0.00 H new ATOM 0 HG3 GLU A 111 9.761 -5.471 -7.660 1.00 0.00 H new ATOM 1800 N MET A 112 4.625 -5.868 -8.842 1.00 0.00 N ATOM 1801 CA MET A 112 3.256 -5.679 -8.381 1.00 0.00 C ATOM 1802 C MET A 112 2.440 -6.954 -8.561 1.00 0.00 C ATOM 1803 O MET A 112 1.959 -7.540 -7.593 1.00 0.00 O ATOM 1804 CB MET A 112 2.598 -4.527 -9.143 1.00 0.00 C ATOM 1805 CG MET A 112 3.295 -3.191 -8.943 1.00 0.00 C ATOM 1806 SD MET A 112 2.234 -1.960 -8.163 1.00 0.00 S ATOM 1807 CE MET A 112 2.714 -0.488 -9.061 1.00 0.00 C ATOM 0 H MET A 112 4.904 -5.243 -9.598 1.00 0.00 H new ATOM 0 HA MET A 112 3.285 -5.436 -7.319 1.00 0.00 H new ATOM 0 HB2 MET A 112 2.586 -4.766 -10.206 1.00 0.00 H new ATOM 0 HB3 MET A 112 1.560 -4.437 -8.824 1.00 0.00 H new ATOM 0 HG2 MET A 112 4.184 -3.338 -8.330 1.00 0.00 H new ATOM 0 HG3 MET A 112 3.632 -2.814 -9.909 1.00 0.00 H new ATOM 0 HE1 MET A 112 3.044 0.276 -8.357 1.00 0.00 H new ATOM 0 HE2 MET A 112 3.529 -0.728 -9.744 1.00 0.00 H new ATOM 0 HE3 MET A 112 1.862 -0.115 -9.629 1.00 0.00 H new ATOM 1817 N VAL A 113 2.292 -7.378 -9.811 1.00 0.00 N ATOM 1818 CA VAL A 113 1.538 -8.585 -10.131 1.00 0.00 C ATOM 1819 C VAL A 113 1.954 -9.753 -9.241 1.00 0.00 C ATOM 1820 O VAL A 113 1.129 -10.582 -8.857 1.00 0.00 O ATOM 1821 CB VAL A 113 1.735 -8.987 -11.606 1.00 0.00 C ATOM 1822 CG1 VAL A 113 0.861 -10.183 -11.959 1.00 0.00 C ATOM 1823 CG2 VAL A 113 1.439 -7.812 -12.527 1.00 0.00 C ATOM 0 H VAL A 113 2.686 -6.902 -10.622 1.00 0.00 H new ATOM 0 HA VAL A 113 0.487 -8.357 -9.954 1.00 0.00 H new ATOM 0 HB VAL A 113 2.777 -9.275 -11.745 1.00 0.00 H new ATOM 0 HG11 VAL A 113 1.015 -10.450 -13.004 1.00 0.00 H new ATOM 0 HG12 VAL A 113 1.128 -11.028 -11.325 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.187 -9.927 -11.801 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.584 -8.117 -13.563 1.00 0.00 H new ATOM 0 HG22 VAL A 113 0.408 -7.489 -12.385 1.00 0.00 H new ATOM 0 HG23 VAL A 113 2.113 -6.988 -12.293 1.00 0.00 H new ATOM 1833 N ASP A 114 3.243 -9.813 -8.923 1.00 0.00 N ATOM 1834 CA ASP A 114 3.778 -10.881 -8.087 1.00 0.00 C ATOM 1835 C ASP A 114 3.436 -10.666 -6.614 1.00 0.00 C ATOM 1836 O ASP A 114 2.994 -11.591 -5.931 1.00 0.00 O ATOM 1837 CB ASP A 114 5.295 -10.977 -8.257 1.00 0.00 C ATOM 1838 CG ASP A 114 5.813 -12.388 -8.055 1.00 0.00 C ATOM 1839 OD1 ASP A 114 5.449 -13.013 -7.037 1.00 0.00 O ATOM 1840 OD2 ASP A 114 6.581 -12.868 -8.915 1.00 0.00 O ATOM 0 H ASP A 114 3.937 -9.133 -9.232 1.00 0.00 H new ATOM 0 HA ASP A 114 3.316 -11.814 -8.409 1.00 0.00 H new ATOM 0 HB2 ASP A 114 5.568 -10.632 -9.254 1.00 0.00 H new ATOM 0 HB3 ASP A 114 5.780 -10.310 -7.545 1.00 0.00 H new ATOM 1845 N ILE A 115 3.648 -9.448 -6.125 1.00 0.00 N ATOM 1846 CA ILE A 115 3.366 -9.132 -4.729 1.00 0.00 C ATOM 1847 C ILE A 115 1.875 -9.232 -4.429 1.00 0.00 C ATOM 1848 O ILE A 115 1.470 -9.830 -3.433 1.00 0.00 O ATOM 1849 CB ILE A 115 3.882 -7.722 -4.345 1.00 0.00 C ATOM 1850 CG1 ILE A 115 4.265 -7.686 -2.864 1.00 0.00 C ATOM 1851 CG2 ILE A 115 2.848 -6.640 -4.655 1.00 0.00 C ATOM 1852 CD1 ILE A 115 3.118 -8.024 -1.936 1.00 0.00 C ATOM 0 H ILE A 115 4.012 -8.667 -6.671 1.00 0.00 H new ATOM 0 HA ILE A 115 3.897 -9.869 -4.127 1.00 0.00 H new ATOM 0 HB ILE A 115 4.766 -7.514 -4.948 1.00 0.00 H new ATOM 0 HG12 ILE A 115 5.081 -8.387 -2.691 1.00 0.00 H new ATOM 0 HG13 ILE A 115 4.641 -6.693 -2.618 1.00 0.00 H new ATOM 0 HG21 ILE A 115 3.245 -5.665 -4.372 1.00 0.00 H new ATOM 0 HG22 ILE A 115 2.625 -6.645 -5.722 1.00 0.00 H new ATOM 0 HG23 ILE A 115 1.935 -6.837 -4.092 1.00 0.00 H new ATOM 0 HD11 ILE A 115 3.461 -7.979 -0.902 1.00 0.00 H new ATOM 0 HD12 ILE A 115 2.309 -7.308 -2.081 1.00 0.00 H new ATOM 0 HD13 ILE A 115 2.757 -9.029 -2.155 1.00 0.00 H new ATOM 1864 N ILE A 116 1.066 -8.629 -5.291 1.00 0.00 N ATOM 1865 CA ILE A 116 -0.375 -8.638 -5.108 1.00 0.00 C ATOM 1866 C ILE A 116 -0.919 -10.065 -5.132 1.00 0.00 C ATOM 1867 O ILE A 116 -1.894 -10.380 -4.450 1.00 0.00 O ATOM 1868 CB ILE A 116 -1.087 -7.797 -6.190 1.00 0.00 C ATOM 1869 CG1 ILE A 116 -0.632 -6.338 -6.110 1.00 0.00 C ATOM 1870 CG2 ILE A 116 -2.600 -7.893 -6.037 1.00 0.00 C ATOM 1871 CD1 ILE A 116 -0.130 -5.788 -7.425 1.00 0.00 C ATOM 0 H ILE A 116 1.385 -8.129 -6.121 1.00 0.00 H new ATOM 0 HA ILE A 116 -0.577 -8.194 -4.133 1.00 0.00 H new ATOM 0 HB ILE A 116 -0.818 -8.194 -7.169 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -1.464 -5.725 -5.763 1.00 0.00 H new ATOM 0 HG13 ILE A 116 0.159 -6.253 -5.365 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -3.083 -7.293 -6.809 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -2.911 -8.933 -6.138 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -2.891 -7.521 -5.054 1.00 0.00 H new ATOM 0 HD11 ILE A 116 0.175 -4.750 -7.293 1.00 0.00 H new ATOM 0 HD12 ILE A 116 0.723 -6.376 -7.764 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -0.925 -5.840 -8.169 1.00 0.00 H new ATOM 1883 N GLU A 117 -0.280 -10.922 -5.922 1.00 0.00 N ATOM 1884 CA GLU A 117 -0.697 -12.315 -6.035 1.00 0.00 C ATOM 1885 C GLU A 117 -0.475 -13.058 -4.722 1.00 0.00 C ATOM 1886 O GLU A 117 -1.219 -13.979 -4.382 1.00 0.00 O ATOM 1887 CB GLU A 117 0.069 -13.008 -7.163 1.00 0.00 C ATOM 1888 CG GLU A 117 -0.482 -14.379 -7.520 1.00 0.00 C ATOM 1889 CD GLU A 117 0.024 -14.880 -8.858 1.00 0.00 C ATOM 1890 OE1 GLU A 117 -0.293 -14.248 -9.887 1.00 0.00 O ATOM 1891 OE2 GLU A 117 0.736 -15.905 -8.877 1.00 0.00 O ATOM 0 H GLU A 117 0.528 -10.676 -6.493 1.00 0.00 H new ATOM 0 HA GLU A 117 -1.762 -12.332 -6.265 1.00 0.00 H new ATOM 0 HB2 GLU A 117 0.046 -12.374 -8.050 1.00 0.00 H new ATOM 0 HB3 GLU A 117 1.114 -13.110 -6.872 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -0.207 -15.091 -6.742 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -1.571 -14.335 -7.541 1.00 0.00 H new ATOM 1898 N THR A 118 0.556 -12.655 -3.987 1.00 0.00 N ATOM 1899 CA THR A 118 0.878 -13.283 -2.711 1.00 0.00 C ATOM 1900 C THR A 118 0.012 -12.719 -1.587 1.00 0.00 C ATOM 1901 O THR A 118 -0.201 -13.376 -0.567 1.00 0.00 O ATOM 1902 CB THR A 118 2.358 -13.083 -2.380 1.00 0.00 C ATOM 1903 OG1 THR A 118 3.137 -13.064 -3.562 1.00 0.00 O ATOM 1904 CG2 THR A 118 2.919 -14.159 -1.477 1.00 0.00 C ATOM 0 H THR A 118 1.183 -11.896 -4.253 1.00 0.00 H new ATOM 0 HA THR A 118 0.672 -14.350 -2.800 1.00 0.00 H new ATOM 0 HB THR A 118 2.411 -12.128 -1.857 1.00 0.00 H new ATOM 0 HG1 THR A 118 4.080 -12.933 -3.330 1.00 0.00 H new ATOM 0 HG21 THR A 118 3.972 -13.957 -1.282 1.00 0.00 H new ATOM 0 HG22 THR A 118 2.370 -14.166 -0.535 1.00 0.00 H new ATOM 0 HG23 THR A 118 2.820 -15.130 -1.963 1.00 0.00 H new ATOM 1912 N VAL A 119 -0.480 -11.498 -1.776 1.00 0.00 N ATOM 1913 CA VAL A 119 -1.318 -10.850 -0.774 1.00 0.00 C ATOM 1914 C VAL A 119 -2.793 -11.176 -0.985 1.00 0.00 C ATOM 1915 O VAL A 119 -3.524 -11.429 -0.028 1.00 0.00 O ATOM 1916 CB VAL A 119 -1.137 -9.320 -0.794 1.00 0.00 C ATOM 1917 CG1 VAL A 119 -1.914 -8.673 0.342 1.00 0.00 C ATOM 1918 CG2 VAL A 119 0.340 -8.956 -0.717 1.00 0.00 C ATOM 0 H VAL A 119 -0.313 -10.939 -2.613 1.00 0.00 H new ATOM 0 HA VAL A 119 -1.001 -11.237 0.194 1.00 0.00 H new ATOM 0 HB VAL A 119 -1.533 -8.939 -1.735 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -1.773 -7.593 0.310 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -2.974 -8.904 0.236 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -1.553 -9.058 1.296 1.00 0.00 H new ATOM 0 HG21 VAL A 119 0.449 -7.872 -0.732 1.00 0.00 H new ATOM 0 HG22 VAL A 119 0.764 -9.350 0.206 1.00 0.00 H new ATOM 0 HG23 VAL A 119 0.865 -9.385 -1.570 1.00 0.00 H new ATOM 1928 N TYR A 120 -3.229 -11.164 -2.240 1.00 0.00 N ATOM 1929 CA TYR A 120 -4.621 -11.454 -2.565 1.00 0.00 C ATOM 1930 C TYR A 120 -4.946 -12.925 -2.316 1.00 0.00 C ATOM 1931 O TYR A 120 -6.061 -13.265 -1.920 1.00 0.00 O ATOM 1932 CB TYR A 120 -4.920 -11.068 -4.022 1.00 0.00 C ATOM 1933 CG TYR A 120 -5.034 -12.241 -4.975 1.00 0.00 C ATOM 1934 CD1 TYR A 120 -3.927 -13.018 -5.283 1.00 0.00 C ATOM 1935 CD2 TYR A 120 -6.250 -12.570 -5.563 1.00 0.00 C ATOM 1936 CE1 TYR A 120 -4.024 -14.089 -6.152 1.00 0.00 C ATOM 1937 CE2 TYR A 120 -6.356 -13.639 -6.432 1.00 0.00 C ATOM 1938 CZ TYR A 120 -5.240 -14.395 -6.723 1.00 0.00 C ATOM 1939 OH TYR A 120 -5.342 -15.461 -7.587 1.00 0.00 O ATOM 0 H TYR A 120 -2.640 -10.957 -3.047 1.00 0.00 H new ATOM 0 HA TYR A 120 -5.257 -10.857 -1.911 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -5.851 -10.502 -4.050 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -4.132 -10.404 -4.377 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -2.972 -12.782 -4.836 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -7.126 -11.980 -5.337 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -3.151 -14.682 -6.382 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -7.308 -13.881 -6.881 1.00 0.00 H new ATOM 0 HH TYR A 120 -6.267 -15.541 -7.900 1.00 0.00 H new ATOM 1949 N ARG A 121 -3.968 -13.792 -2.555 1.00 0.00 N ATOM 1950 CA ARG A 121 -4.156 -15.226 -2.362 1.00 0.00 C ATOM 1951 C ARG A 121 -4.176 -15.583 -0.878 1.00 0.00 C ATOM 1952 O ARG A 121 -4.849 -16.528 -0.467 1.00 0.00 O ATOM 1953 CB ARG A 121 -3.048 -16.006 -3.071 1.00 0.00 C ATOM 1954 CG ARG A 121 -3.382 -17.472 -3.291 1.00 0.00 C ATOM 1955 CD ARG A 121 -2.669 -18.030 -4.512 1.00 0.00 C ATOM 1956 NE ARG A 121 -2.554 -19.486 -4.462 1.00 0.00 N ATOM 1957 CZ ARG A 121 -1.645 -20.133 -3.737 1.00 0.00 C ATOM 1958 NH1 ARG A 121 -0.771 -19.460 -3.001 1.00 0.00 N ATOM 1959 NH2 ARG A 121 -1.611 -21.458 -3.748 1.00 0.00 N ATOM 0 H ARG A 121 -3.039 -13.528 -2.882 1.00 0.00 H new ATOM 0 HA ARG A 121 -5.119 -15.500 -2.793 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -2.846 -15.539 -4.035 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -2.132 -15.935 -2.484 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -3.099 -18.047 -2.409 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -4.459 -17.586 -3.414 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -3.211 -17.740 -5.412 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -1.674 -17.590 -4.583 1.00 0.00 H new ATOM 0 HE ARG A 121 -3.209 -20.039 -5.015 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -0.793 -18.440 -2.988 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -0.077 -19.962 -2.447 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -2.281 -21.981 -4.312 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -0.915 -21.955 -3.193 1.00 0.00 H new ATOM 1973 N GLY A 122 -3.433 -14.824 -0.080 1.00 0.00 N ATOM 1974 CA GLY A 122 -3.382 -15.081 1.347 1.00 0.00 C ATOM 1975 C GLY A 122 -4.397 -14.264 2.122 1.00 0.00 C ATOM 1976 O GLY A 122 -5.018 -14.760 3.063 1.00 0.00 O ATOM 0 H GLY A 122 -2.866 -14.037 -0.395 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -3.559 -16.141 1.528 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -2.382 -14.857 1.717 1.00 0.00 H new ATOM 1980 N ALA A 123 -4.563 -13.008 1.725 1.00 0.00 N ATOM 1981 CA ALA A 123 -5.507 -12.113 2.385 1.00 0.00 C ATOM 1982 C ALA A 123 -6.955 -12.487 2.072 1.00 0.00 C ATOM 1983 O ALA A 123 -7.884 -11.946 2.673 1.00 0.00 O ATOM 1984 CB ALA A 123 -5.232 -10.673 1.979 1.00 0.00 C ATOM 0 H ALA A 123 -4.055 -12.585 0.948 1.00 0.00 H new ATOM 0 HA ALA A 123 -5.368 -12.216 3.461 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -5.942 -10.013 2.477 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -4.217 -10.400 2.270 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -5.339 -10.573 0.899 1.00 0.00 H new ATOM 1990 N ARG A 124 -7.148 -13.409 1.131 1.00 0.00 N ATOM 1991 CA ARG A 124 -8.489 -13.840 0.751 1.00 0.00 C ATOM 1992 C ARG A 124 -8.937 -15.037 1.589 1.00 0.00 C ATOM 1993 O ARG A 124 -9.419 -16.034 1.054 1.00 0.00 O ATOM 1994 CB ARG A 124 -8.532 -14.197 -0.736 1.00 0.00 C ATOM 1995 CG ARG A 124 -7.626 -15.358 -1.112 1.00 0.00 C ATOM 1996 CD ARG A 124 -7.621 -15.598 -2.612 1.00 0.00 C ATOM 1997 NE ARG A 124 -8.940 -15.986 -3.108 1.00 0.00 N ATOM 1998 CZ ARG A 124 -9.442 -17.214 -3.000 1.00 0.00 C ATOM 1999 NH1 ARG A 124 -8.741 -18.176 -2.413 1.00 0.00 N ATOM 2000 NH2 ARG A 124 -10.649 -17.481 -3.478 1.00 0.00 N ATOM 0 H ARG A 124 -6.395 -13.870 0.620 1.00 0.00 H new ATOM 0 HA ARG A 124 -9.174 -13.013 0.938 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -9.557 -14.444 -1.012 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -8.247 -13.321 -1.319 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -6.611 -15.153 -0.772 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -7.958 -16.261 -0.599 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -7.293 -14.693 -3.123 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -6.899 -16.379 -2.852 1.00 0.00 H new ATOM 0 HE ARG A 124 -9.510 -15.273 -3.564 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -7.812 -17.976 -2.042 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -9.131 -19.115 -2.333 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -11.193 -16.745 -3.929 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -11.034 -18.422 -3.395 1.00 0.00 H new ATOM 2014 N LYS A 125 -8.774 -14.926 2.906 1.00 0.00 N ATOM 2015 CA LYS A 125 -9.161 -15.994 3.827 1.00 0.00 C ATOM 2016 C LYS A 125 -8.673 -17.356 3.334 1.00 0.00 C ATOM 2017 O LYS A 125 -7.880 -17.441 2.397 1.00 0.00 O ATOM 2018 CB LYS A 125 -10.681 -16.012 4.016 1.00 0.00 C ATOM 2019 CG LYS A 125 -11.449 -16.473 2.786 1.00 0.00 C ATOM 2020 CD LYS A 125 -12.902 -16.771 3.118 1.00 0.00 C ATOM 2021 CE LYS A 125 -13.044 -18.088 3.864 1.00 0.00 C ATOM 2022 NZ LYS A 125 -13.429 -19.203 2.955 1.00 0.00 N ATOM 0 H LYS A 125 -8.375 -14.105 3.361 1.00 0.00 H new ATOM 0 HA LYS A 125 -8.687 -15.794 4.788 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -10.926 -16.667 4.852 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -11.016 -15.011 4.287 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -11.401 -15.703 2.016 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -10.978 -17.366 2.375 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -13.311 -15.962 3.724 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -13.486 -16.808 2.199 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -12.102 -18.330 4.356 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -13.795 -17.982 4.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -13.028 -20.095 3.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -14.466 -19.279 2.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -13.062 -19.015 2.000 1.00 0.00 H new ATOM 2036 N GLY A 126 -9.156 -18.418 3.972 1.00 0.00 N ATOM 2037 CA GLY A 126 -8.758 -19.758 3.585 1.00 0.00 C ATOM 2038 C GLY A 126 -9.455 -20.829 4.401 1.00 0.00 C ATOM 2039 O GLY A 126 -9.141 -21.025 5.576 1.00 0.00 O ATOM 0 H GLY A 126 -9.815 -18.374 4.749 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -8.980 -19.909 2.529 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -7.679 -19.861 3.702 1.00 0.00 H new ATOM 2043 N ARG A 127 -10.403 -21.523 3.779 1.00 0.00 N ATOM 2044 CA ARG A 127 -11.145 -22.579 4.456 1.00 0.00 C ATOM 2045 C ARG A 127 -11.683 -23.595 3.453 1.00 0.00 C ATOM 2046 O ARG A 127 -11.291 -24.761 3.465 1.00 0.00 O ATOM 2047 CB ARG A 127 -12.299 -21.983 5.265 1.00 0.00 C ATOM 2048 CG ARG A 127 -12.744 -22.856 6.425 1.00 0.00 C ATOM 2049 CD ARG A 127 -14.230 -22.697 6.705 1.00 0.00 C ATOM 2050 NE ARG A 127 -15.019 -23.768 6.099 1.00 0.00 N ATOM 2051 CZ ARG A 127 -16.333 -23.904 6.263 1.00 0.00 C ATOM 2052 NH1 ARG A 127 -17.008 -23.040 7.012 1.00 0.00 N ATOM 2053 NH2 ARG A 127 -16.973 -24.905 5.676 1.00 0.00 N ATOM 0 H ARG A 127 -10.675 -21.373 2.807 1.00 0.00 H new ATOM 0 HA ARG A 127 -10.462 -23.091 5.134 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -11.997 -21.009 5.650 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -13.147 -21.815 4.602 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -12.525 -23.900 6.201 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -12.175 -22.595 7.317 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -14.397 -22.689 7.782 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -14.570 -21.735 6.322 1.00 0.00 H new ATOM 0 HE ARG A 127 -14.534 -24.451 5.517 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -16.520 -22.267 7.465 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -18.015 -23.149 7.134 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -16.459 -25.571 5.099 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -17.980 -25.010 5.801 1.00 0.00 H new ATOM 2067 N GLY A 128 -12.584 -23.142 2.587 1.00 0.00 N ATOM 2068 CA GLY A 128 -13.161 -24.025 1.590 1.00 0.00 C ATOM 2069 C GLY A 128 -12.584 -23.793 0.207 1.00 0.00 C ATOM 2070 O GLY A 128 -12.846 -22.718 -0.373 1.00 0.02 O ATOM 2071 OXT GLY A 128 -11.871 -24.686 -0.295 1.00 0.02 O ATOM 0 H GLY A 128 -12.924 -22.181 2.558 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -12.989 -25.061 1.883 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -14.241 -23.877 1.559 1.00 0.00 H new TER 2075 GLY A 128