USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 911 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 105 GLN : amide:sc= -3.31! C(o=-3.3!,f=-3.2!) USER MOD Set 1.2: A 106 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 71 THR OG1 : rot 1:sc= 0.999 USER MOD Set 2.2: A 80 MET CE :methyl -178:sc= 0 (180deg=-0.00877) USER MOD Set 3.1: A 50 CYS SG : rot 180:sc= 0.469 USER MOD Set 3.2: A 59 THR OG1 : rot -58:sc= 0.53 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 HIS :FLIP no HE2:sc= -5.24! C(o=-7.4!,f=-5.2!) USER MOD Single : A 16 ASN : amide:sc= -0.275 X(o=-0.27,f=-0.0022) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 174:sc= 0.0389 (180deg=-0.0434) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 80:sc= 1.03 USER MOD Single : A 31 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0118) USER MOD Single : A 34 SER OG : rot 160:sc=-0.00252 USER MOD Single : A 40 SER OG : rot 180:sc=-0.00601 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= -0.103 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.43 X(o=-0.43,f=-0.14) USER MOD Single : A 56 CYS SG : rot 21:sc= 0.00338 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 165:sc=-0.00907 USER MOD Single : A 65 ASN : amide:sc= -1.04 K(o=-1,f=-3.4!) USER MOD Single : A 69 LYS NZ :NH3+ 154:sc= -0.359 (180deg=-0.942) USER MOD Single : A 73 GLN : amide:sc= -0.738 K(o=-0.74,f=-1.2) USER MOD Single : A 75 SER OG : rot 12:sc= 0.226 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= -0.268 X(o=-0.27,f=-0.024) USER MOD Single : A 93 TYR OH : rot 30:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 176:sc= -1.54 (180deg=-1.61) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 MET CE :methyl 143:sc= -1.18 (180deg=-4.34!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 HIS : no HD1:sc= -0.456 K(o=-0.46,f=-0.98) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.192 -19.191 -31.289 1.00 0.00 N ATOM 2 CA GLY A 1 13.087 -20.111 -31.486 1.00 0.00 C ATOM 3 C GLY A 1 11.816 -19.646 -30.803 1.00 0.00 C ATOM 4 O GLY A 1 10.803 -19.405 -31.460 1.00 0.00 O ATOM 0 H1 GLY A 1 15.037 -19.554 -31.775 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.942 -18.260 -31.678 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.390 -19.099 -30.272 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.901 -20.227 -32.554 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.363 -21.093 -31.103 1.00 0.00 H new ATOM 8 N SER A 2 11.868 -19.520 -29.481 1.00 0.00 N ATOM 9 CA SER A 2 10.710 -19.085 -28.709 1.00 0.00 C ATOM 10 C SER A 2 10.887 -17.648 -28.227 1.00 0.00 C ATOM 11 O SER A 2 11.625 -17.387 -27.277 1.00 0.00 O ATOM 12 CB SER A 2 10.491 -20.013 -27.512 1.00 0.00 C ATOM 13 OG SER A 2 9.713 -21.140 -27.877 1.00 0.00 O ATOM 0 H SER A 2 12.699 -19.713 -28.922 1.00 0.00 H new ATOM 0 HA SER A 2 9.835 -19.127 -29.358 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.454 -20.343 -27.122 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.993 -19.467 -26.711 1.00 0.00 H new ATOM 0 HG SER A 2 9.588 -21.718 -27.096 1.00 0.00 H new ATOM 19 N SER A 3 10.204 -16.720 -28.890 1.00 0.00 N ATOM 20 CA SER A 3 10.287 -15.309 -28.532 1.00 0.00 C ATOM 21 C SER A 3 8.988 -14.834 -27.889 1.00 0.00 C ATOM 22 O SER A 3 8.123 -14.267 -28.555 1.00 0.00 O ATOM 23 CB SER A 3 10.594 -14.465 -29.771 1.00 0.00 C ATOM 24 OG SER A 3 10.843 -13.115 -29.420 1.00 0.00 O ATOM 0 H SER A 3 9.587 -16.920 -29.678 1.00 0.00 H new ATOM 0 HA SER A 3 11.094 -15.190 -27.809 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.461 -14.875 -30.288 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.755 -14.515 -30.466 1.00 0.00 H new ATOM 0 HG SER A 3 11.038 -12.597 -30.229 1.00 0.00 H new ATOM 30 N GLY A 4 8.860 -15.069 -26.586 1.00 0.00 N ATOM 31 CA GLY A 4 7.664 -14.660 -25.873 1.00 0.00 C ATOM 32 C GLY A 4 7.970 -13.734 -24.712 1.00 0.00 C ATOM 33 O GLY A 4 8.939 -13.942 -23.982 1.00 0.00 O ATOM 0 H GLY A 4 9.563 -15.535 -26.012 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.986 -14.159 -26.564 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.146 -15.544 -25.502 1.00 0.00 H new ATOM 37 N SER A 5 7.142 -12.708 -24.541 1.00 0.00 N ATOM 38 CA SER A 5 7.333 -11.744 -23.464 1.00 0.00 C ATOM 39 C SER A 5 6.480 -12.107 -22.252 1.00 0.00 C ATOM 40 O SER A 5 5.722 -13.077 -22.281 1.00 0.00 O ATOM 41 CB SER A 5 6.981 -10.334 -23.945 1.00 0.00 C ATOM 42 OG SER A 5 7.869 -9.906 -24.963 1.00 0.00 O ATOM 0 H SER A 5 6.333 -12.523 -25.134 1.00 0.00 H new ATOM 0 HA SER A 5 8.382 -11.769 -23.169 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.958 -10.319 -24.321 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.022 -9.639 -23.106 1.00 0.00 H new ATOM 0 HG SER A 5 7.622 -9.004 -25.254 1.00 0.00 H new ATOM 48 N SER A 6 6.611 -11.322 -21.188 1.00 0.00 N ATOM 49 CA SER A 6 5.856 -11.563 -19.963 1.00 0.00 C ATOM 50 C SER A 6 4.574 -10.737 -19.944 1.00 0.00 C ATOM 51 O SER A 6 4.420 -9.791 -20.716 1.00 0.00 O ATOM 52 CB SER A 6 6.710 -11.229 -18.739 1.00 0.00 C ATOM 53 OG SER A 6 6.858 -9.828 -18.587 1.00 0.00 O ATOM 0 H SER A 6 7.232 -10.514 -21.149 1.00 0.00 H new ATOM 0 HA SER A 6 5.587 -12.619 -19.932 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.249 -11.648 -17.845 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.691 -11.693 -18.839 1.00 0.00 H new ATOM 0 HG SER A 6 7.406 -9.641 -17.797 1.00 0.00 H new ATOM 59 N GLY A 7 3.655 -11.102 -19.056 1.00 0.00 N ATOM 60 CA GLY A 7 2.397 -10.385 -18.952 1.00 0.00 C ATOM 61 C GLY A 7 2.581 -8.959 -18.471 1.00 0.00 C ATOM 62 O GLY A 7 3.562 -8.646 -17.798 1.00 0.00 O ATOM 0 H GLY A 7 3.759 -11.882 -18.406 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.906 -10.377 -19.925 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.736 -10.914 -18.266 1.00 0.00 H new ATOM 66 N MET A 8 1.635 -8.093 -18.819 1.00 0.00 N ATOM 67 CA MET A 8 1.697 -6.692 -18.418 1.00 0.00 C ATOM 68 C MET A 8 1.448 -6.543 -16.921 1.00 0.00 C ATOM 69 O MET A 8 0.463 -7.057 -16.391 1.00 0.00 O ATOM 70 CB MET A 8 0.673 -5.869 -19.202 1.00 0.00 C ATOM 71 CG MET A 8 -0.768 -6.193 -18.844 1.00 0.00 C ATOM 72 SD MET A 8 -1.955 -5.246 -19.816 1.00 0.00 S ATOM 73 CE MET A 8 -3.491 -6.033 -19.336 1.00 0.00 C ATOM 0 H MET A 8 0.817 -8.336 -19.377 1.00 0.00 H new ATOM 0 HA MET A 8 2.697 -6.321 -18.640 1.00 0.00 H new ATOM 0 HB2 MET A 8 0.855 -4.810 -19.021 1.00 0.00 H new ATOM 0 HB3 MET A 8 0.821 -6.040 -20.268 1.00 0.00 H new ATOM 0 HG2 MET A 8 -0.946 -7.257 -18.997 1.00 0.00 H new ATOM 0 HG3 MET A 8 -0.929 -5.992 -17.785 1.00 0.00 H new ATOM 0 HE1 MET A 8 -4.322 -5.556 -19.856 1.00 0.00 H new ATOM 0 HE2 MET A 8 -3.456 -7.090 -19.600 1.00 0.00 H new ATOM 0 HE3 MET A 8 -3.631 -5.932 -18.260 1.00 0.00 H new ATOM 83 N VAL A 9 2.348 -5.836 -16.243 1.00 0.00 N ATOM 84 CA VAL A 9 2.225 -5.619 -14.807 1.00 0.00 C ATOM 85 C VAL A 9 2.139 -4.132 -14.481 1.00 0.00 C ATOM 86 O VAL A 9 2.740 -3.289 -15.148 1.00 0.00 O ATOM 87 CB VAL A 9 3.413 -6.233 -14.043 1.00 0.00 C ATOM 88 CG1 VAL A 9 3.522 -7.722 -14.333 1.00 0.00 C ATOM 89 CG2 VAL A 9 4.705 -5.515 -14.402 1.00 0.00 C ATOM 0 H VAL A 9 3.170 -5.404 -16.666 1.00 0.00 H new ATOM 0 HA VAL A 9 1.305 -6.111 -14.490 1.00 0.00 H new ATOM 0 HB VAL A 9 3.240 -6.108 -12.974 1.00 0.00 H new ATOM 0 HG11 VAL A 9 4.367 -8.139 -13.785 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.605 -8.222 -14.021 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.672 -7.874 -15.402 1.00 0.00 H new ATOM 0 HG21 VAL A 9 5.534 -5.962 -13.853 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.887 -5.607 -15.473 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.621 -4.461 -14.138 1.00 0.00 H new ATOM 99 N PRO A 10 1.375 -3.800 -13.430 1.00 0.00 N ATOM 100 CA PRO A 10 1.193 -2.413 -12.991 1.00 0.00 C ATOM 101 C PRO A 10 2.461 -1.828 -12.379 1.00 0.00 C ATOM 102 O PRO A 10 3.365 -2.563 -11.979 1.00 0.00 O ATOM 103 CB PRO A 10 0.089 -2.517 -11.936 1.00 0.00 C ATOM 104 CG PRO A 10 0.184 -3.913 -11.424 1.00 0.00 C ATOM 105 CD PRO A 10 0.630 -4.752 -12.590 1.00 0.00 C ATOM 0 HA PRO A 10 0.947 -1.751 -13.822 1.00 0.00 H new ATOM 0 HB2 PRO A 10 0.236 -1.791 -11.136 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -0.892 -2.320 -12.369 1.00 0.00 H new ATOM 0 HG2 PRO A 10 0.895 -3.979 -10.601 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -0.778 -4.255 -11.042 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.259 -5.583 -12.270 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -0.218 -5.181 -13.124 1.00 0.00 H new ATOM 113 N CYS A 11 2.521 -0.503 -12.308 1.00 0.00 N ATOM 114 CA CYS A 11 3.679 0.181 -11.744 1.00 0.00 C ATOM 115 C CYS A 11 3.472 0.470 -10.261 1.00 0.00 C ATOM 116 O CYS A 11 4.314 1.094 -9.616 1.00 0.00 O ATOM 117 CB CYS A 11 3.944 1.486 -12.497 1.00 0.00 C ATOM 118 SG CYS A 11 4.260 1.267 -14.264 1.00 0.00 S ATOM 0 H CYS A 11 1.781 0.119 -12.634 1.00 0.00 H new ATOM 0 HA CYS A 11 4.543 -0.474 -11.851 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.086 2.146 -12.371 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.800 1.987 -12.045 1.00 0.00 H new ATOM 0 HG CYS A 11 4.470 2.426 -14.814 1.00 0.00 H new ATOM 124 N TRP A 12 2.345 0.012 -9.727 1.00 0.00 N ATOM 125 CA TRP A 12 2.026 0.223 -8.319 1.00 0.00 C ATOM 126 C TRP A 12 2.238 -1.056 -7.516 1.00 0.00 C ATOM 127 O TRP A 12 2.006 -1.086 -6.308 1.00 0.00 O ATOM 128 CB TRP A 12 0.580 0.700 -8.169 1.00 0.00 C ATOM 129 CG TRP A 12 -0.392 -0.079 -9.003 1.00 0.00 C ATOM 130 CD1 TRP A 12 -0.940 0.304 -10.194 1.00 0.00 C ATOM 131 CD2 TRP A 12 -0.932 -1.371 -8.707 1.00 0.00 C ATOM 132 NE1 TRP A 12 -1.789 -0.673 -10.656 1.00 0.00 N ATOM 133 CE2 TRP A 12 -1.800 -1.711 -9.762 1.00 0.00 C ATOM 134 CE3 TRP A 12 -0.765 -2.275 -7.654 1.00 0.00 C ATOM 135 CZ2 TRP A 12 -2.499 -2.915 -9.793 1.00 0.00 C ATOM 136 CZ3 TRP A 12 -1.459 -3.470 -7.686 1.00 0.00 C ATOM 137 CH2 TRP A 12 -2.316 -3.782 -8.749 1.00 0.00 C ATOM 0 H TRP A 12 1.638 -0.507 -10.247 1.00 0.00 H new ATOM 0 HA TRP A 12 2.697 0.990 -7.930 1.00 0.00 H new ATOM 0 HB2 TRP A 12 0.288 0.628 -7.121 1.00 0.00 H new ATOM 0 HB3 TRP A 12 0.522 1.753 -8.445 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -0.736 1.237 -10.698 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -2.324 -0.632 -11.523 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -0.106 -2.044 -6.830 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -3.162 -3.156 -10.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -1.338 -4.175 -6.877 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -2.843 -4.725 -8.745 1.00 0.00 H new ATOM 148 N ASN A 13 2.682 -2.109 -8.194 1.00 0.00 N ATOM 149 CA ASN A 13 2.925 -3.391 -7.542 1.00 0.00 C ATOM 150 C ASN A 13 4.418 -3.702 -7.494 1.00 0.00 C ATOM 151 O ASN A 13 4.956 -4.358 -8.387 1.00 0.00 O ATOM 152 CB ASN A 13 2.183 -4.509 -8.277 1.00 0.00 C ATOM 153 CG ASN A 13 2.113 -5.787 -7.463 1.00 0.00 C ATOM 154 OD1 ASN A 13 2.898 -6.712 -7.670 1.00 0.00 O ATOM 155 ND2 ASN A 13 1.167 -5.844 -6.532 1.00 0.00 N ATOM 0 H ASN A 13 2.881 -2.100 -9.194 1.00 0.00 H new ATOM 0 HA ASN A 13 2.552 -3.327 -6.520 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.172 -4.176 -8.514 1.00 0.00 H new ATOM 0 HB3 ASN A 13 2.682 -4.711 -9.224 1.00 0.00 H new ATOM 0 HD21 ASN A 13 1.070 -6.679 -5.954 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.538 -5.053 -6.395 1.00 0.00 H new ATOM 162 N HIS A 14 5.083 -3.226 -6.446 1.00 0.00 N ATOM 163 CA HIS A 14 6.514 -3.454 -6.280 1.00 0.00 C ATOM 164 C HIS A 14 6.792 -4.905 -5.899 1.00 0.00 C ATOM 165 O HIS A 14 7.386 -5.657 -6.671 1.00 0.00 O ATOM 166 CB HIS A 14 7.081 -2.517 -5.213 1.00 0.00 C ATOM 167 CG HIS A 14 7.158 -1.087 -5.652 1.00 0.00 C ATOM 168 ND1 HIS A 14 6.184 -0.215 -6.003 1.00 0.00 N flip ATOM 169 CD2 HIS A 14 8.348 -0.400 -5.771 1.00 0.00 C flip ATOM 170 CE1 HIS A 14 6.797 0.972 -6.323 1.00 0.00 C flip ATOM 171 NE2 HIS A 14 8.102 0.834 -6.175 1.00 0.00 N flip ATOM 0 H HIS A 14 4.654 -2.680 -5.699 1.00 0.00 H new ATOM 0 HA HIS A 14 7.003 -3.246 -7.232 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.461 -2.581 -4.318 1.00 0.00 H new ATOM 0 HB3 HIS A 14 8.078 -2.857 -4.935 1.00 0.00 H new ATOM 0 HD1 HIS A 14 5.182 -0.404 -6.026 1.00 0.00 H new ATOM 0 HD2 HIS A 14 9.327 -0.807 -5.566 1.00 0.00 H new ATOM 0 HE1 HIS A 14 6.293 1.872 -6.644 1.00 0.00 H new ATOM 180 N GLY A 15 6.360 -5.292 -4.703 1.00 0.00 N ATOM 181 CA GLY A 15 6.573 -6.651 -4.240 1.00 0.00 C ATOM 182 C GLY A 15 7.128 -6.703 -2.831 1.00 0.00 C ATOM 183 O GLY A 15 6.618 -6.039 -1.930 1.00 0.00 O ATOM 0 H GLY A 15 5.866 -4.688 -4.046 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.630 -7.196 -4.276 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.260 -7.159 -4.917 1.00 0.00 H new ATOM 187 N ASN A 16 8.177 -7.497 -2.639 1.00 0.00 N ATOM 188 CA ASN A 16 8.801 -7.636 -1.328 1.00 0.00 C ATOM 189 C ASN A 16 9.929 -6.623 -1.152 1.00 0.00 C ATOM 190 O ASN A 16 11.046 -6.836 -1.624 1.00 0.00 O ATOM 191 CB ASN A 16 9.341 -9.055 -1.145 1.00 0.00 C ATOM 192 CG ASN A 16 9.719 -9.349 0.294 1.00 0.00 C ATOM 193 OD1 ASN A 16 8.963 -9.986 1.029 1.00 0.00 O ATOM 194 ND2 ASN A 16 10.893 -8.884 0.704 1.00 0.00 N ATOM 0 H ASN A 16 8.612 -8.054 -3.374 1.00 0.00 H new ATOM 0 HA ASN A 16 8.042 -7.443 -0.570 1.00 0.00 H new ATOM 0 HB2 ASN A 16 8.589 -9.772 -1.474 1.00 0.00 H new ATOM 0 HB3 ASN A 16 10.214 -9.194 -1.783 1.00 0.00 H new ATOM 0 HD21 ASN A 16 11.201 -9.050 1.662 1.00 0.00 H new ATOM 0 HD22 ASN A 16 11.487 -8.361 0.061 1.00 0.00 H new ATOM 201 N ILE A 17 9.628 -5.523 -0.471 1.00 0.00 N ATOM 202 CA ILE A 17 10.617 -4.479 -0.232 1.00 0.00 C ATOM 203 C ILE A 17 10.747 -4.176 1.257 1.00 0.00 C ATOM 204 O ILE A 17 9.913 -4.591 2.063 1.00 0.00 O ATOM 205 CB ILE A 17 10.258 -3.182 -0.979 1.00 0.00 C ATOM 206 CG1 ILE A 17 8.870 -2.693 -0.558 1.00 0.00 C ATOM 207 CG2 ILE A 17 10.314 -3.403 -2.483 1.00 0.00 C ATOM 208 CD1 ILE A 17 8.564 -1.282 -1.010 1.00 0.00 C ATOM 0 H ILE A 17 8.708 -5.331 -0.075 1.00 0.00 H new ATOM 0 HA ILE A 17 11.569 -4.854 -0.609 1.00 0.00 H new ATOM 0 HB ILE A 17 10.988 -2.416 -0.717 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.117 -3.368 -0.965 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.790 -2.744 0.528 1.00 0.00 H new ATOM 0 HG21 ILE A 17 10.058 -2.476 -2.997 1.00 0.00 H new ATOM 0 HG22 ILE A 17 11.320 -3.710 -2.768 1.00 0.00 H new ATOM 0 HG23 ILE A 17 9.604 -4.181 -2.763 1.00 0.00 H new ATOM 0 HD11 ILE A 17 7.565 -1.002 -0.677 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.295 -0.596 -0.582 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.612 -1.230 -2.098 1.00 0.00 H new ATOM 220 N THR A 18 11.800 -3.448 1.617 1.00 0.00 N ATOM 221 CA THR A 18 12.039 -3.088 3.009 1.00 0.00 C ATOM 222 C THR A 18 11.320 -1.795 3.374 1.00 0.00 C ATOM 223 O THR A 18 11.224 -0.875 2.562 1.00 0.00 O ATOM 224 CB THR A 18 13.544 -2.923 3.295 1.00 0.00 C ATOM 225 OG1 THR A 18 13.747 -2.585 4.672 1.00 0.00 O ATOM 226 CG2 THR A 18 14.148 -1.844 2.409 1.00 0.00 C ATOM 0 H THR A 18 12.500 -3.097 0.964 1.00 0.00 H new ATOM 0 HA THR A 18 11.647 -3.903 3.618 1.00 0.00 H new ATOM 0 HB THR A 18 14.039 -3.869 3.077 1.00 0.00 H new ATOM 0 HG1 THR A 18 14.706 -2.484 4.846 1.00 0.00 H new ATOM 0 HG21 THR A 18 15.211 -1.746 2.629 1.00 0.00 H new ATOM 0 HG22 THR A 18 14.018 -2.118 1.362 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.648 -0.894 2.600 1.00 0.00 H new ATOM 234 N ARG A 19 10.815 -1.730 4.602 1.00 0.00 N ATOM 235 CA ARG A 19 10.103 -0.549 5.075 1.00 0.00 C ATOM 236 C ARG A 19 10.708 0.722 4.486 1.00 0.00 C ATOM 237 O ARG A 19 10.016 1.510 3.841 1.00 0.00 O ATOM 238 CB ARG A 19 10.138 -0.484 6.603 1.00 0.00 C ATOM 239 CG ARG A 19 9.110 0.467 7.195 1.00 0.00 C ATOM 240 CD ARG A 19 9.650 1.886 7.282 1.00 0.00 C ATOM 241 NE ARG A 19 10.724 2.004 8.264 1.00 0.00 N ATOM 242 CZ ARG A 19 10.533 1.923 9.576 1.00 0.00 C ATOM 243 NH1 ARG A 19 9.315 1.723 10.061 1.00 0.00 N ATOM 244 NH2 ARG A 19 11.561 2.040 10.407 1.00 0.00 N ATOM 0 H ARG A 19 10.886 -2.482 5.287 1.00 0.00 H new ATOM 0 HA ARG A 19 9.067 -0.624 4.746 1.00 0.00 H new ATOM 0 HB2 ARG A 19 9.970 -1.483 7.005 1.00 0.00 H new ATOM 0 HB3 ARG A 19 11.133 -0.175 6.923 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.208 0.457 6.583 1.00 0.00 H new ATOM 0 HG3 ARG A 19 8.825 0.123 8.189 1.00 0.00 H new ATOM 0 HD2 ARG A 19 10.018 2.194 6.303 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.840 2.566 7.547 1.00 0.00 H new ATOM 0 HE ARG A 19 11.673 2.157 7.924 1.00 0.00 H new ATOM 0 HH11 ARG A 19 8.522 1.631 9.426 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.171 1.661 11.069 1.00 0.00 H new ATOM 0 HH21 ARG A 19 12.500 2.192 10.039 1.00 0.00 H new ATOM 0 HH22 ARG A 19 11.412 1.978 11.414 1.00 0.00 H new ATOM 258 N SER A 20 12.003 0.915 4.714 1.00 0.00 N ATOM 259 CA SER A 20 12.700 2.092 4.210 1.00 0.00 C ATOM 260 C SER A 20 12.237 2.435 2.798 1.00 0.00 C ATOM 261 O SER A 20 11.759 3.540 2.539 1.00 0.00 O ATOM 262 CB SER A 20 14.212 1.859 4.221 1.00 0.00 C ATOM 263 OG SER A 20 14.904 2.973 3.684 1.00 0.00 O ATOM 0 H SER A 20 12.591 0.272 5.244 1.00 0.00 H new ATOM 0 HA SER A 20 12.464 2.931 4.864 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.547 1.676 5.242 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.450 0.966 3.643 1.00 0.00 H new ATOM 0 HG SER A 20 15.868 2.800 3.704 1.00 0.00 H new ATOM 269 N LYS A 21 12.382 1.480 1.886 1.00 0.00 N ATOM 270 CA LYS A 21 11.979 1.677 0.499 1.00 0.00 C ATOM 271 C LYS A 21 10.568 2.252 0.419 1.00 0.00 C ATOM 272 O LYS A 21 10.377 3.398 0.013 1.00 0.00 O ATOM 273 CB LYS A 21 12.045 0.354 -0.267 1.00 0.00 C ATOM 274 CG LYS A 21 12.316 0.523 -1.752 1.00 0.00 C ATOM 275 CD LYS A 21 13.776 0.849 -2.019 1.00 0.00 C ATOM 276 CE LYS A 21 14.180 0.476 -3.437 1.00 0.00 C ATOM 277 NZ LYS A 21 15.596 0.836 -3.723 1.00 0.00 N ATOM 0 H LYS A 21 12.776 0.560 2.083 1.00 0.00 H new ATOM 0 HA LYS A 21 12.669 2.388 0.044 1.00 0.00 H new ATOM 0 HB2 LYS A 21 12.827 -0.269 0.168 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.103 -0.179 -0.137 1.00 0.00 H new ATOM 0 HG2 LYS A 21 12.044 -0.392 -2.279 1.00 0.00 H new ATOM 0 HG3 LYS A 21 11.686 1.319 -2.149 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.947 1.913 -1.859 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.405 0.314 -1.308 1.00 0.00 H new ATOM 0 HE2 LYS A 21 14.041 -0.595 -3.584 1.00 0.00 H new ATOM 0 HE3 LYS A 21 13.526 0.983 -4.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 15.863 0.475 -4.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 15.701 1.871 -3.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 16.214 0.414 -3.001 1.00 0.00 H new ATOM 291 N ALA A 22 9.584 1.450 0.812 1.00 0.00 N ATOM 292 CA ALA A 22 8.192 1.881 0.788 1.00 0.00 C ATOM 293 C ALA A 22 8.069 3.361 1.135 1.00 0.00 C ATOM 294 O ALA A 22 7.190 4.056 0.627 1.00 0.00 O ATOM 295 CB ALA A 22 7.363 1.041 1.748 1.00 0.00 C ATOM 0 H ALA A 22 9.725 0.498 1.151 1.00 0.00 H new ATOM 0 HA ALA A 22 7.811 1.739 -0.223 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.325 1.374 1.720 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.416 -0.007 1.453 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.753 1.154 2.760 1.00 0.00 H new ATOM 301 N GLU A 23 8.956 3.835 2.005 1.00 0.00 N ATOM 302 CA GLU A 23 8.944 5.233 2.420 1.00 0.00 C ATOM 303 C GLU A 23 9.667 6.110 1.402 1.00 0.00 C ATOM 304 O GLU A 23 9.054 6.953 0.748 1.00 0.00 O ATOM 305 CB GLU A 23 9.598 5.385 3.795 1.00 0.00 C ATOM 306 CG GLU A 23 8.858 4.656 4.905 1.00 0.00 C ATOM 307 CD GLU A 23 9.542 4.795 6.251 1.00 0.00 C ATOM 308 OE1 GLU A 23 10.783 4.938 6.273 1.00 0.00 O ATOM 309 OE2 GLU A 23 8.838 4.760 7.281 1.00 0.00 O ATOM 0 H GLU A 23 9.690 3.273 2.435 1.00 0.00 H new ATOM 0 HA GLU A 23 7.905 5.558 2.481 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.621 5.011 3.745 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.658 6.444 4.044 1.00 0.00 H new ATOM 0 HG2 GLU A 23 7.842 5.045 4.976 1.00 0.00 H new ATOM 0 HG3 GLU A 23 8.778 3.599 4.650 1.00 0.00 H new ATOM 316 N GLU A 24 10.974 5.903 1.273 1.00 0.00 N ATOM 317 CA GLU A 24 11.781 6.675 0.336 1.00 0.00 C ATOM 318 C GLU A 24 11.032 6.892 -0.976 1.00 0.00 C ATOM 319 O GLU A 24 11.168 7.935 -1.617 1.00 0.00 O ATOM 320 CB GLU A 24 13.109 5.965 0.066 1.00 0.00 C ATOM 321 CG GLU A 24 13.039 4.952 -1.065 1.00 0.00 C ATOM 322 CD GLU A 24 14.376 4.292 -1.340 1.00 0.00 C ATOM 323 OE1 GLU A 24 14.838 3.509 -0.483 1.00 0.00 O ATOM 324 OE2 GLU A 24 14.960 4.557 -2.411 1.00 0.00 O ATOM 0 H GLU A 24 11.496 5.207 1.806 1.00 0.00 H new ATOM 0 HA GLU A 24 11.982 7.647 0.785 1.00 0.00 H new ATOM 0 HB2 GLU A 24 13.868 6.710 -0.172 1.00 0.00 H new ATOM 0 HB3 GLU A 24 13.433 5.459 0.976 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.304 4.186 -0.817 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.690 5.448 -1.971 1.00 0.00 H new ATOM 331 N LEU A 25 10.240 5.900 -1.369 1.00 0.00 N ATOM 332 CA LEU A 25 9.469 5.981 -2.605 1.00 0.00 C ATOM 333 C LEU A 25 8.381 7.044 -2.499 1.00 0.00 C ATOM 334 O LEU A 25 8.140 7.797 -3.444 1.00 0.00 O ATOM 335 CB LEU A 25 8.842 4.623 -2.927 1.00 0.00 C ATOM 336 CG LEU A 25 9.820 3.477 -3.189 1.00 0.00 C ATOM 337 CD1 LEU A 25 9.089 2.273 -3.763 1.00 0.00 C ATOM 338 CD2 LEU A 25 10.930 3.927 -4.127 1.00 0.00 C ATOM 0 H LEU A 25 10.115 5.031 -0.850 1.00 0.00 H new ATOM 0 HA LEU A 25 10.148 6.262 -3.411 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.194 4.339 -2.098 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.205 4.738 -3.804 1.00 0.00 H new ATOM 0 HG LEU A 25 10.270 3.185 -2.240 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.801 1.467 -3.943 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.331 1.936 -3.056 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.611 2.551 -4.702 1.00 0.00 H new ATOM 0 HD21 LEU A 25 11.616 3.099 -4.302 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.498 4.247 -5.075 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.472 4.758 -3.677 1.00 0.00 H new ATOM 350 N LEU A 26 7.728 7.103 -1.344 1.00 0.00 N ATOM 351 CA LEU A 26 6.667 8.076 -1.113 1.00 0.00 C ATOM 352 C LEU A 26 7.246 9.466 -0.869 1.00 0.00 C ATOM 353 O LEU A 26 6.752 10.458 -1.406 1.00 0.00 O ATOM 354 CB LEU A 26 5.810 7.652 0.081 1.00 0.00 C ATOM 355 CG LEU A 26 4.775 6.560 -0.189 1.00 0.00 C ATOM 356 CD1 LEU A 26 4.141 6.090 1.111 1.00 0.00 C ATOM 357 CD2 LEU A 26 3.709 7.061 -1.153 1.00 0.00 C ATOM 0 H LEU A 26 7.915 6.488 -0.552 1.00 0.00 H new ATOM 0 HA LEU A 26 6.043 8.114 -2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.473 7.308 0.874 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.290 8.532 0.460 1.00 0.00 H new ATOM 0 HG LEU A 26 5.283 5.712 -0.649 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.407 5.313 0.898 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.913 5.690 1.768 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.648 6.930 1.600 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.981 6.270 -1.333 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.206 7.926 -0.721 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.176 7.346 -2.096 1.00 0.00 H new ATOM 369 N SER A 27 8.297 9.530 -0.059 1.00 0.00 N ATOM 370 CA SER A 27 8.943 10.798 0.257 1.00 0.00 C ATOM 371 C SER A 27 9.499 11.453 -1.004 1.00 0.00 C ATOM 372 O SER A 27 9.085 12.550 -1.381 1.00 0.00 O ATOM 373 CB SER A 27 10.068 10.584 1.272 1.00 0.00 C ATOM 374 OG SER A 27 9.556 10.505 2.591 1.00 0.00 O ATOM 0 H SER A 27 8.720 8.718 0.391 1.00 0.00 H new ATOM 0 HA SER A 27 8.194 11.460 0.691 1.00 0.00 H new ATOM 0 HB2 SER A 27 10.609 9.668 1.033 1.00 0.00 H new ATOM 0 HB3 SER A 27 10.784 11.403 1.205 1.00 0.00 H new ATOM 0 HG SER A 27 10.294 10.366 3.221 1.00 0.00 H new ATOM 380 N ARG A 28 10.440 10.773 -1.651 1.00 0.00 N ATOM 381 CA ARG A 28 11.055 11.289 -2.868 1.00 0.00 C ATOM 382 C ARG A 28 10.016 11.968 -3.756 1.00 0.00 C ATOM 383 O ARG A 28 10.304 12.970 -4.412 1.00 0.00 O ATOM 384 CB ARG A 28 11.738 10.157 -3.638 1.00 0.00 C ATOM 385 CG ARG A 28 10.764 9.179 -4.275 1.00 0.00 C ATOM 386 CD ARG A 28 11.482 8.181 -5.170 1.00 0.00 C ATOM 387 NE ARG A 28 10.549 7.292 -5.858 1.00 0.00 N ATOM 388 CZ ARG A 28 10.843 6.642 -6.978 1.00 0.00 C ATOM 389 NH1 ARG A 28 12.039 6.781 -7.534 1.00 0.00 N ATOM 390 NH2 ARG A 28 9.941 5.852 -7.544 1.00 0.00 N ATOM 0 H ARG A 28 10.793 9.864 -1.353 1.00 0.00 H new ATOM 0 HA ARG A 28 11.803 12.029 -2.583 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.369 10.587 -4.416 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.395 9.613 -2.960 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.221 8.645 -3.495 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.025 9.728 -4.859 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.080 8.719 -5.906 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.173 7.588 -4.570 1.00 0.00 H new ATOM 0 HE ARG A 28 9.620 7.163 -5.456 1.00 0.00 H new ATOM 0 HH11 ARG A 28 12.735 7.388 -7.101 1.00 0.00 H new ATOM 0 HH12 ARG A 28 12.263 6.281 -8.394 1.00 0.00 H new ATOM 0 HH21 ARG A 28 9.020 5.743 -7.119 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.168 5.353 -8.404 1.00 0.00 H new ATOM 404 N THR A 29 8.807 11.416 -3.772 1.00 0.00 N ATOM 405 CA THR A 29 7.726 11.967 -4.580 1.00 0.00 C ATOM 406 C THR A 29 7.293 13.333 -4.060 1.00 0.00 C ATOM 407 O THR A 29 7.303 14.319 -4.795 1.00 0.00 O ATOM 408 CB THR A 29 6.506 11.027 -4.601 1.00 0.00 C ATOM 409 OG1 THR A 29 6.933 9.672 -4.780 1.00 0.00 O ATOM 410 CG2 THR A 29 5.545 11.412 -5.716 1.00 0.00 C ATOM 0 H THR A 29 8.552 10.588 -3.234 1.00 0.00 H new ATOM 0 HA THR A 29 8.111 12.073 -5.594 1.00 0.00 H new ATOM 0 HB THR A 29 5.988 11.121 -3.647 1.00 0.00 H new ATOM 0 HG1 THR A 29 7.253 9.314 -3.926 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.691 10.734 -5.711 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.198 12.434 -5.561 1.00 0.00 H new ATOM 0 HG23 THR A 29 6.056 11.345 -6.676 1.00 0.00 H new ATOM 418 N GLY A 30 6.912 13.383 -2.787 1.00 0.00 N ATOM 419 CA GLY A 30 6.481 14.634 -2.191 1.00 0.00 C ATOM 420 C GLY A 30 5.168 15.129 -2.767 1.00 0.00 C ATOM 421 O GLY A 30 4.902 16.330 -2.782 1.00 0.00 O ATOM 0 H GLY A 30 6.894 12.580 -2.158 1.00 0.00 H new ATOM 0 HA2 GLY A 30 6.375 14.502 -1.114 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.250 15.391 -2.346 1.00 0.00 H new ATOM 425 N LYS A 31 4.346 14.200 -3.244 1.00 0.00 N ATOM 426 CA LYS A 31 3.054 14.547 -3.825 1.00 0.00 C ATOM 427 C LYS A 31 1.912 14.078 -2.929 1.00 0.00 C ATOM 428 O LYS A 31 1.836 12.904 -2.568 1.00 0.00 O ATOM 429 CB LYS A 31 2.914 13.925 -5.216 1.00 0.00 C ATOM 430 CG LYS A 31 3.596 14.725 -6.312 1.00 0.00 C ATOM 431 CD LYS A 31 3.141 14.282 -7.692 1.00 0.00 C ATOM 432 CE LYS A 31 3.282 15.402 -8.712 1.00 0.00 C ATOM 433 NZ LYS A 31 4.704 15.798 -8.907 1.00 0.00 N ATOM 0 H LYS A 31 4.552 13.201 -3.240 1.00 0.00 H new ATOM 0 HA LYS A 31 3.002 15.632 -3.912 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.332 12.919 -5.198 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.855 13.826 -5.455 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.378 15.785 -6.179 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.677 14.609 -6.230 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.729 13.422 -8.011 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.101 13.958 -7.647 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.860 15.081 -9.665 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.706 16.267 -8.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.763 16.528 -9.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.084 16.176 -8.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.259 14.967 -9.196 1.00 0.00 H new ATOM 447 N ASP A 32 1.026 15.003 -2.575 1.00 0.00 N ATOM 448 CA ASP A 32 -0.114 14.683 -1.724 1.00 0.00 C ATOM 449 C ASP A 32 -1.136 13.840 -2.479 1.00 0.00 C ATOM 450 O ASP A 32 -2.110 14.363 -3.019 1.00 0.00 O ATOM 451 CB ASP A 32 -0.770 15.966 -1.212 1.00 0.00 C ATOM 452 CG ASP A 32 0.199 16.850 -0.453 1.00 0.00 C ATOM 453 OD1 ASP A 32 1.201 17.287 -1.057 1.00 0.00 O ATOM 454 OD2 ASP A 32 -0.043 17.104 0.746 1.00 0.00 O ATOM 0 H ASP A 32 1.076 15.980 -2.864 1.00 0.00 H new ATOM 0 HA ASP A 32 0.249 14.105 -0.874 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.180 16.522 -2.055 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.607 15.708 -0.563 1.00 0.00 H new ATOM 459 N GLY A 33 -0.907 12.531 -2.514 1.00 0.00 N ATOM 460 CA GLY A 33 -1.816 11.636 -3.206 1.00 0.00 C ATOM 461 C GLY A 33 -1.105 10.443 -3.812 1.00 0.00 C ATOM 462 O GLY A 33 -1.470 9.976 -4.891 1.00 0.00 O ATOM 0 H GLY A 33 -0.108 12.074 -2.075 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.577 11.286 -2.509 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.333 12.185 -3.993 1.00 0.00 H new ATOM 466 N SER A 34 -0.085 9.948 -3.118 1.00 0.00 N ATOM 467 CA SER A 34 0.682 8.804 -3.597 1.00 0.00 C ATOM 468 C SER A 34 0.171 7.508 -2.976 1.00 0.00 C ATOM 469 O SER A 34 -0.476 7.521 -1.929 1.00 0.00 O ATOM 470 CB SER A 34 2.166 8.987 -3.273 1.00 0.00 C ATOM 471 OG SER A 34 2.814 9.762 -4.267 1.00 0.00 O ATOM 0 H SER A 34 0.229 10.321 -2.222 1.00 0.00 H new ATOM 0 HA SER A 34 0.558 8.742 -4.678 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.272 9.472 -2.303 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.648 8.012 -3.196 1.00 0.00 H new ATOM 0 HG SER A 34 3.644 10.133 -3.902 1.00 0.00 H new ATOM 477 N PHE A 35 0.466 6.389 -3.630 1.00 0.00 N ATOM 478 CA PHE A 35 0.035 5.083 -3.145 1.00 0.00 C ATOM 479 C PHE A 35 0.788 3.963 -3.856 1.00 0.00 C ATOM 480 O PHE A 35 1.168 4.097 -5.020 1.00 0.00 O ATOM 481 CB PHE A 35 -1.471 4.911 -3.349 1.00 0.00 C ATOM 482 CG PHE A 35 -1.839 4.443 -4.728 1.00 0.00 C ATOM 483 CD1 PHE A 35 -1.868 5.331 -5.791 1.00 0.00 C ATOM 484 CD2 PHE A 35 -2.157 3.114 -4.961 1.00 0.00 C ATOM 485 CE1 PHE A 35 -2.206 4.904 -7.061 1.00 0.00 C ATOM 486 CE2 PHE A 35 -2.495 2.681 -6.229 1.00 0.00 C ATOM 487 CZ PHE A 35 -2.521 3.577 -7.280 1.00 0.00 C ATOM 0 H PHE A 35 1.002 6.361 -4.497 1.00 0.00 H new ATOM 0 HA PHE A 35 0.258 5.027 -2.080 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -1.849 4.196 -2.618 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.967 5.861 -3.152 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.623 6.370 -5.625 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -2.140 2.409 -4.143 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.224 5.607 -7.881 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -2.739 1.643 -6.398 1.00 0.00 H new ATOM 0 HZ PHE A 35 -2.787 3.241 -8.271 1.00 0.00 H new ATOM 497 N LEU A 36 1.001 2.859 -3.149 1.00 0.00 N ATOM 498 CA LEU A 36 1.709 1.715 -3.712 1.00 0.00 C ATOM 499 C LEU A 36 1.377 0.438 -2.945 1.00 0.00 C ATOM 500 O LEU A 36 0.824 0.488 -1.846 1.00 0.00 O ATOM 501 CB LEU A 36 3.219 1.960 -3.685 1.00 0.00 C ATOM 502 CG LEU A 36 3.835 2.204 -2.307 1.00 0.00 C ATOM 503 CD1 LEU A 36 4.241 0.887 -1.664 1.00 0.00 C ATOM 504 CD2 LEU A 36 5.032 3.137 -2.416 1.00 0.00 C ATOM 0 H LEU A 36 0.694 2.732 -2.185 1.00 0.00 H new ATOM 0 HA LEU A 36 1.385 1.592 -4.746 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.714 1.100 -4.135 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.439 2.821 -4.317 1.00 0.00 H new ATOM 0 HG LEU A 36 3.086 2.679 -1.674 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.678 1.080 -0.684 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.363 0.251 -1.551 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.974 0.385 -2.295 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.458 3.300 -1.426 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.784 2.689 -3.066 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.713 4.091 -2.835 1.00 0.00 H new ATOM 516 N VAL A 37 1.720 -0.704 -3.531 1.00 0.00 N ATOM 517 CA VAL A 37 1.462 -1.994 -2.902 1.00 0.00 C ATOM 518 C VAL A 37 2.758 -2.763 -2.673 1.00 0.00 C ATOM 519 O VAL A 37 3.675 -2.712 -3.492 1.00 0.00 O ATOM 520 CB VAL A 37 0.511 -2.854 -3.755 1.00 0.00 C ATOM 521 CG1 VAL A 37 0.256 -4.195 -3.084 1.00 0.00 C ATOM 522 CG2 VAL A 37 -0.796 -2.116 -4.004 1.00 0.00 C ATOM 0 H VAL A 37 2.177 -0.763 -4.441 1.00 0.00 H new ATOM 0 HA VAL A 37 0.991 -1.789 -1.941 1.00 0.00 H new ATOM 0 HB VAL A 37 0.985 -3.042 -4.718 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.418 -4.789 -3.702 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.200 -4.727 -2.963 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.197 -4.032 -2.106 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.456 -2.738 -4.608 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.277 -1.896 -3.051 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.593 -1.184 -4.531 1.00 0.00 H new ATOM 532 N ARG A 38 2.826 -3.477 -1.554 1.00 0.00 N ATOM 533 CA ARG A 38 4.010 -4.257 -1.216 1.00 0.00 C ATOM 534 C ARG A 38 3.622 -5.575 -0.551 1.00 0.00 C ATOM 535 O ARG A 38 2.775 -5.605 0.341 1.00 0.00 O ATOM 536 CB ARG A 38 4.928 -3.457 -0.290 1.00 0.00 C ATOM 537 CG ARG A 38 4.307 -3.146 1.062 1.00 0.00 C ATOM 538 CD ARG A 38 5.347 -2.643 2.050 1.00 0.00 C ATOM 539 NE ARG A 38 6.072 -3.738 2.688 1.00 0.00 N ATOM 540 CZ ARG A 38 6.698 -3.625 3.855 1.00 0.00 C ATOM 541 NH1 ARG A 38 6.688 -2.470 4.507 1.00 0.00 N ATOM 542 NH2 ARG A 38 7.336 -4.668 4.371 1.00 0.00 N ATOM 0 H ARG A 38 2.075 -3.531 -0.866 1.00 0.00 H new ATOM 0 HA ARG A 38 4.543 -4.479 -2.140 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.851 -4.015 -0.137 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.199 -2.522 -0.780 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.526 -2.396 0.941 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.830 -4.042 1.459 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.053 -1.993 1.533 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.858 -2.038 2.814 1.00 0.00 H new ATOM 0 HE ARG A 38 6.100 -4.640 2.212 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.199 -1.666 4.113 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.169 -2.386 5.402 1.00 0.00 H new ATOM 0 HH21 ARG A 38 7.346 -5.558 3.872 1.00 0.00 H new ATOM 0 HH22 ARG A 38 7.816 -4.580 5.267 1.00 0.00 H new ATOM 556 N ALA A 39 4.248 -6.661 -0.992 1.00 0.00 N ATOM 557 CA ALA A 39 3.969 -7.980 -0.439 1.00 0.00 C ATOM 558 C ALA A 39 4.378 -8.058 1.028 1.00 0.00 C ATOM 559 O ALA A 39 5.560 -8.185 1.347 1.00 0.00 O ATOM 560 CB ALA A 39 4.685 -9.053 -1.246 1.00 0.00 C ATOM 0 H ALA A 39 4.952 -6.653 -1.730 1.00 0.00 H new ATOM 0 HA ALA A 39 2.894 -8.152 -0.499 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.468 -10.033 -0.822 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.341 -9.021 -2.280 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.760 -8.875 -1.215 1.00 0.00 H new ATOM 566 N SER A 40 3.393 -7.980 1.917 1.00 0.00 N ATOM 567 CA SER A 40 3.651 -8.037 3.351 1.00 0.00 C ATOM 568 C SER A 40 4.800 -8.992 3.659 1.00 0.00 C ATOM 569 O SER A 40 5.037 -9.951 2.926 1.00 0.00 O ATOM 570 CB SER A 40 2.392 -8.478 4.100 1.00 0.00 C ATOM 571 OG SER A 40 2.696 -8.848 5.434 1.00 0.00 O ATOM 0 H SER A 40 2.409 -7.877 1.669 1.00 0.00 H new ATOM 0 HA SER A 40 3.933 -7.038 3.684 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.663 -7.668 4.101 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.932 -9.319 3.582 1.00 0.00 H new ATOM 0 HG SER A 40 1.875 -9.124 5.892 1.00 0.00 H new ATOM 577 N GLU A 41 5.511 -8.720 4.749 1.00 0.00 N ATOM 578 CA GLU A 41 6.637 -9.554 5.153 1.00 0.00 C ATOM 579 C GLU A 41 6.152 -10.813 5.868 1.00 0.00 C ATOM 580 O GLU A 41 6.609 -11.918 5.577 1.00 0.00 O ATOM 581 CB GLU A 41 7.581 -8.768 6.066 1.00 0.00 C ATOM 582 CG GLU A 41 6.945 -8.343 7.378 1.00 0.00 C ATOM 583 CD GLU A 41 7.621 -7.131 7.989 1.00 0.00 C ATOM 584 OE1 GLU A 41 7.968 -6.201 7.230 1.00 0.00 O ATOM 585 OE2 GLU A 41 7.805 -7.112 9.224 1.00 0.00 O ATOM 0 H GLU A 41 5.328 -7.930 5.367 1.00 0.00 H new ATOM 0 HA GLU A 41 7.177 -9.852 4.254 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.459 -9.378 6.278 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.930 -7.881 5.537 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.891 -8.121 7.211 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.988 -9.173 8.084 1.00 0.00 H new ATOM 592 N SER A 42 5.225 -10.635 6.803 1.00 0.00 N ATOM 593 CA SER A 42 4.681 -11.755 7.563 1.00 0.00 C ATOM 594 C SER A 42 4.156 -12.841 6.629 1.00 0.00 C ATOM 595 O SER A 42 4.723 -13.931 6.546 1.00 0.00 O ATOM 596 CB SER A 42 3.560 -11.275 8.487 1.00 0.00 C ATOM 597 OG SER A 42 4.059 -10.399 9.482 1.00 0.00 O ATOM 0 H SER A 42 4.835 -9.726 7.053 1.00 0.00 H new ATOM 0 HA SER A 42 5.484 -12.177 8.167 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.794 -10.766 7.901 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.082 -12.133 8.960 1.00 0.00 H new ATOM 0 HG SER A 42 3.323 -10.105 10.058 1.00 0.00 H new ATOM 603 N ILE A 43 3.070 -12.535 5.928 1.00 0.00 N ATOM 604 CA ILE A 43 2.469 -13.484 4.999 1.00 0.00 C ATOM 605 C ILE A 43 2.470 -12.936 3.575 1.00 0.00 C ATOM 606 O ILE A 43 1.773 -11.968 3.271 1.00 0.00 O ATOM 607 CB ILE A 43 1.023 -13.827 5.402 1.00 0.00 C ATOM 608 CG1 ILE A 43 1.001 -14.512 6.770 1.00 0.00 C ATOM 609 CG2 ILE A 43 0.376 -14.715 4.349 1.00 0.00 C ATOM 610 CD1 ILE A 43 0.930 -13.544 7.930 1.00 0.00 C ATOM 0 H ILE A 43 2.588 -11.638 5.985 1.00 0.00 H new ATOM 0 HA ILE A 43 3.074 -14.390 5.038 1.00 0.00 H new ATOM 0 HB ILE A 43 0.451 -12.902 5.470 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.145 -15.185 6.816 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.896 -15.126 6.874 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.646 -14.949 4.648 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.364 -14.194 3.392 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.946 -15.639 4.252 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.918 -14.100 8.868 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.799 -12.887 7.909 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.022 -12.947 7.850 1.00 0.00 H new ATOM 622 N SER A 44 3.258 -13.563 2.707 1.00 0.00 N ATOM 623 CA SER A 44 3.352 -13.137 1.315 1.00 0.00 C ATOM 624 C SER A 44 1.965 -12.987 0.698 1.00 0.00 C ATOM 625 O SER A 44 1.668 -11.984 0.049 1.00 0.00 O ATOM 626 CB SER A 44 4.177 -14.141 0.508 1.00 0.00 C ATOM 627 OG SER A 44 3.550 -15.412 0.482 1.00 0.00 O ATOM 0 H SER A 44 3.840 -14.367 2.943 1.00 0.00 H new ATOM 0 HA SER A 44 3.848 -12.167 1.290 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.306 -13.775 -0.510 1.00 0.00 H new ATOM 0 HB3 SER A 44 5.172 -14.232 0.943 1.00 0.00 H new ATOM 0 HG SER A 44 4.096 -16.035 -0.041 1.00 0.00 H new ATOM 633 N ARG A 45 1.120 -13.992 0.905 1.00 0.00 N ATOM 634 CA ARG A 45 -0.235 -13.974 0.369 1.00 0.00 C ATOM 635 C ARG A 45 -0.896 -12.619 0.607 1.00 0.00 C ATOM 636 O ARG A 45 -1.631 -12.118 -0.243 1.00 0.00 O ATOM 637 CB ARG A 45 -1.074 -15.082 1.007 1.00 0.00 C ATOM 638 CG ARG A 45 -1.002 -16.406 0.264 1.00 0.00 C ATOM 639 CD ARG A 45 -2.095 -17.360 0.717 1.00 0.00 C ATOM 640 NE ARG A 45 -1.957 -18.680 0.109 1.00 0.00 N ATOM 641 CZ ARG A 45 -2.828 -19.667 0.288 1.00 0.00 C ATOM 642 NH1 ARG A 45 -3.894 -19.484 1.054 1.00 0.00 N ATOM 643 NH2 ARG A 45 -2.632 -20.841 -0.299 1.00 0.00 N ATOM 0 H ARG A 45 1.351 -14.829 1.440 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.176 -14.146 -0.706 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -0.741 -15.233 2.034 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -2.114 -14.758 1.054 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -1.094 -16.228 -0.807 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -0.027 -16.864 0.429 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -2.065 -17.456 1.802 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -3.069 -16.943 0.461 1.00 0.00 H new ATOM 0 HE ARG A 45 -1.147 -18.854 -0.486 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -4.047 -18.584 1.508 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -4.561 -20.244 1.190 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -1.812 -20.986 -0.888 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.301 -21.598 -0.161 1.00 0.00 H new ATOM 657 N ALA A 46 -0.630 -12.033 1.769 1.00 0.00 N ATOM 658 CA ALA A 46 -1.197 -10.736 2.119 1.00 0.00 C ATOM 659 C ALA A 46 -0.437 -9.603 1.438 1.00 0.00 C ATOM 660 O ALA A 46 0.648 -9.809 0.894 1.00 0.00 O ATOM 661 CB ALA A 46 -1.190 -10.547 3.629 1.00 0.00 C ATOM 0 H ALA A 46 -0.025 -12.436 2.485 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.228 -10.710 1.766 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.616 -9.575 3.876 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.783 -11.333 4.097 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.165 -10.598 3.997 1.00 0.00 H new ATOM 667 N TYR A 47 -1.014 -8.407 1.471 1.00 0.00 N ATOM 668 CA TYR A 47 -0.392 -7.241 0.854 1.00 0.00 C ATOM 669 C TYR A 47 -0.430 -6.042 1.796 1.00 0.00 C ATOM 670 O TYR A 47 -0.921 -6.136 2.920 1.00 0.00 O ATOM 671 CB TYR A 47 -1.098 -6.896 -0.459 1.00 0.00 C ATOM 672 CG TYR A 47 -0.619 -7.714 -1.637 1.00 0.00 C ATOM 673 CD1 TYR A 47 0.575 -7.410 -2.279 1.00 0.00 C ATOM 674 CD2 TYR A 47 -1.360 -8.791 -2.107 1.00 0.00 C ATOM 675 CE1 TYR A 47 1.016 -8.154 -3.357 1.00 0.00 C ATOM 676 CE2 TYR A 47 -0.926 -9.541 -3.183 1.00 0.00 C ATOM 677 CZ TYR A 47 0.262 -9.218 -3.804 1.00 0.00 C ATOM 678 OH TYR A 47 0.698 -9.963 -4.876 1.00 0.00 O ATOM 0 H TYR A 47 -1.911 -8.219 1.918 1.00 0.00 H new ATOM 0 HA TYR A 47 0.650 -7.483 0.646 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.171 -7.046 -0.335 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.947 -5.839 -0.676 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.169 -6.578 -1.930 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.291 -9.046 -1.623 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.946 -7.903 -3.846 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.514 -10.376 -3.536 1.00 0.00 H new ATOM 0 HH TYR A 47 0.052 -10.676 -5.063 1.00 0.00 H new ATOM 688 N ALA A 48 0.093 -4.913 1.326 1.00 0.00 N ATOM 689 CA ALA A 48 0.117 -3.693 2.124 1.00 0.00 C ATOM 690 C ALA A 48 0.025 -2.456 1.238 1.00 0.00 C ATOM 691 O ALA A 48 0.993 -2.082 0.574 1.00 0.00 O ATOM 692 CB ALA A 48 1.379 -3.644 2.974 1.00 0.00 C ATOM 0 H ALA A 48 0.505 -4.819 0.398 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.752 -3.701 2.782 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.384 -2.728 3.565 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.402 -4.506 3.641 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.255 -3.663 2.326 1.00 0.00 H new ATOM 698 N LEU A 49 -1.144 -1.825 1.230 1.00 0.00 N ATOM 699 CA LEU A 49 -1.362 -0.629 0.424 1.00 0.00 C ATOM 700 C LEU A 49 -0.977 0.627 1.198 1.00 0.00 C ATOM 701 O LEU A 49 -1.654 1.014 2.151 1.00 0.00 O ATOM 702 CB LEU A 49 -2.826 -0.544 -0.011 1.00 0.00 C ATOM 703 CG LEU A 49 -3.313 0.832 -0.467 1.00 0.00 C ATOM 704 CD1 LEU A 49 -2.709 1.192 -1.816 1.00 0.00 C ATOM 705 CD2 LEU A 49 -4.832 0.865 -0.535 1.00 0.00 C ATOM 0 H LEU A 49 -1.955 -2.122 1.772 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.729 -0.697 -0.461 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.984 -1.251 -0.825 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.451 -0.871 0.820 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.986 1.572 0.264 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.067 2.174 -2.124 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.622 1.211 -1.735 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.005 0.449 -2.557 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.160 1.852 -0.861 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.181 0.114 -1.244 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.245 0.653 0.451 1.00 0.00 H new ATOM 717 N CYS A 50 0.113 1.262 0.781 1.00 0.00 N ATOM 718 CA CYS A 50 0.588 2.476 1.434 1.00 0.00 C ATOM 719 C CYS A 50 -0.007 3.716 0.776 1.00 0.00 C ATOM 720 O CYS A 50 -0.483 3.662 -0.358 1.00 0.00 O ATOM 721 CB CYS A 50 2.116 2.542 1.386 1.00 0.00 C ATOM 722 SG CYS A 50 2.938 1.531 2.639 1.00 0.00 S ATOM 0 H CYS A 50 0.684 0.956 -0.007 1.00 0.00 H new ATOM 0 HA CYS A 50 0.265 2.449 2.475 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.452 2.223 0.399 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.428 3.579 1.509 1.00 0.00 H new ATOM 0 HG CYS A 50 4.227 1.651 2.517 1.00 0.00 H new ATOM 728 N VAL A 51 0.020 4.833 1.496 1.00 0.00 N ATOM 729 CA VAL A 51 -0.517 6.088 0.983 1.00 0.00 C ATOM 730 C VAL A 51 0.123 7.285 1.676 1.00 0.00 C ATOM 731 O VAL A 51 0.192 7.341 2.905 1.00 0.00 O ATOM 732 CB VAL A 51 -2.045 6.159 1.165 1.00 0.00 C ATOM 733 CG1 VAL A 51 -2.593 7.449 0.572 1.00 0.00 C ATOM 734 CG2 VAL A 51 -2.714 4.947 0.535 1.00 0.00 C ATOM 0 H VAL A 51 0.408 4.894 2.437 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.283 6.121 -0.081 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.267 6.154 2.232 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.674 7.482 0.709 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.137 8.303 1.074 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.361 7.487 -0.492 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.793 5.014 0.673 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.486 4.918 -0.530 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.343 4.039 1.010 1.00 0.00 H new ATOM 744 N LEU A 52 0.590 8.242 0.882 1.00 0.00 N ATOM 745 CA LEU A 52 1.225 9.440 1.419 1.00 0.00 C ATOM 746 C LEU A 52 0.195 10.538 1.665 1.00 0.00 C ATOM 747 O LEU A 52 -0.688 10.771 0.840 1.00 0.00 O ATOM 748 CB LEU A 52 2.304 9.944 0.458 1.00 0.00 C ATOM 749 CG LEU A 52 3.219 11.045 0.994 1.00 0.00 C ATOM 750 CD1 LEU A 52 4.033 10.535 2.173 1.00 0.00 C ATOM 751 CD2 LEU A 52 4.135 11.560 -0.106 1.00 0.00 C ATOM 0 H LEU A 52 0.541 8.212 -0.136 1.00 0.00 H new ATOM 0 HA LEU A 52 1.688 9.180 2.371 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.923 9.097 0.162 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.815 10.312 -0.444 1.00 0.00 H new ATOM 0 HG LEU A 52 2.598 11.872 1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.679 11.332 2.541 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.360 10.216 2.969 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.645 9.691 1.855 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.779 12.343 0.294 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.749 10.741 -0.481 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.534 11.965 -0.920 1.00 0.00 H new ATOM 763 N TYR A 53 0.316 11.210 2.805 1.00 0.00 N ATOM 764 CA TYR A 53 -0.604 12.284 3.160 1.00 0.00 C ATOM 765 C TYR A 53 -0.100 13.053 4.377 1.00 0.00 C ATOM 766 O TYR A 53 0.143 12.473 5.435 1.00 0.00 O ATOM 767 CB TYR A 53 -1.997 11.717 3.443 1.00 0.00 C ATOM 768 CG TYR A 53 -3.056 12.780 3.629 1.00 0.00 C ATOM 769 CD1 TYR A 53 -3.306 13.328 4.881 1.00 0.00 C ATOM 770 CD2 TYR A 53 -3.808 13.236 2.553 1.00 0.00 C ATOM 771 CE1 TYR A 53 -4.273 14.298 5.057 1.00 0.00 C ATOM 772 CE2 TYR A 53 -4.776 14.207 2.719 1.00 0.00 C ATOM 773 CZ TYR A 53 -5.005 14.735 3.972 1.00 0.00 C ATOM 774 OH TYR A 53 -5.969 15.702 4.142 1.00 0.00 O ATOM 0 H TYR A 53 1.042 11.030 3.499 1.00 0.00 H new ATOM 0 HA TYR A 53 -0.662 12.972 2.316 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.289 11.065 2.620 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.953 11.098 4.339 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -2.734 12.989 5.732 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.632 12.824 1.570 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.455 14.712 6.038 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -5.351 14.551 1.872 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.391 15.898 3.280 1.00 0.00 H new ATOM 784 N ARG A 54 0.055 14.364 4.218 1.00 0.00 N ATOM 785 CA ARG A 54 0.531 15.214 5.302 1.00 0.00 C ATOM 786 C ARG A 54 1.913 14.772 5.773 1.00 0.00 C ATOM 787 O ARG A 54 2.151 14.615 6.970 1.00 0.00 O ATOM 788 CB ARG A 54 -0.453 15.183 6.473 1.00 0.00 C ATOM 789 CG ARG A 54 -1.785 15.847 6.167 1.00 0.00 C ATOM 790 CD ARG A 54 -1.763 17.327 6.514 1.00 0.00 C ATOM 791 NE ARG A 54 -1.152 18.128 5.457 1.00 0.00 N ATOM 792 CZ ARG A 54 -1.214 19.455 5.411 1.00 0.00 C ATOM 793 NH1 ARG A 54 -1.855 20.125 6.358 1.00 0.00 N ATOM 794 NH2 ARG A 54 -0.633 20.113 4.416 1.00 0.00 N ATOM 0 H ARG A 54 -0.142 14.860 3.349 1.00 0.00 H new ATOM 0 HA ARG A 54 0.604 16.234 4.925 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.631 14.147 6.760 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.001 15.678 7.331 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.020 15.724 5.110 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.577 15.352 6.729 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.782 17.674 6.689 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.213 17.473 7.444 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.650 17.643 4.713 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.302 19.622 7.125 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.901 21.143 6.320 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.138 19.601 3.686 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.681 21.131 4.381 1.00 0.00 H new ATOM 808 N ASN A 55 2.821 14.572 4.823 1.00 0.00 N ATOM 809 CA ASN A 55 4.179 14.146 5.140 1.00 0.00 C ATOM 810 C ASN A 55 4.167 12.911 6.035 1.00 0.00 C ATOM 811 O ASN A 55 4.992 12.778 6.939 1.00 0.00 O ATOM 812 CB ASN A 55 4.943 15.280 5.827 1.00 0.00 C ATOM 813 CG ASN A 55 6.445 15.075 5.783 1.00 0.00 C ATOM 814 OD1 ASN A 55 7.081 15.284 4.750 1.00 0.00 O ATOM 815 ND2 ASN A 55 7.019 14.663 6.908 1.00 0.00 N ATOM 0 H ASN A 55 2.641 14.698 3.827 1.00 0.00 H new ATOM 0 HA ASN A 55 4.681 13.891 4.207 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.694 16.226 5.346 1.00 0.00 H new ATOM 0 HB3 ASN A 55 4.620 15.356 6.865 1.00 0.00 H new ATOM 0 HD21 ASN A 55 8.027 14.507 6.939 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.452 14.502 7.741 1.00 0.00 H new ATOM 822 N CYS A 56 3.227 12.009 5.775 1.00 0.00 N ATOM 823 CA CYS A 56 3.107 10.783 6.557 1.00 0.00 C ATOM 824 C CYS A 56 2.750 9.600 5.662 1.00 0.00 C ATOM 825 O CYS A 56 2.094 9.762 4.633 1.00 0.00 O ATOM 826 CB CYS A 56 2.048 10.951 7.647 1.00 0.00 C ATOM 827 SG CYS A 56 2.670 11.697 9.172 1.00 0.00 S ATOM 0 H CYS A 56 2.537 12.103 5.029 1.00 0.00 H new ATOM 0 HA CYS A 56 4.071 10.583 7.025 1.00 0.00 H new ATOM 0 HB2 CYS A 56 1.237 11.567 7.259 1.00 0.00 H new ATOM 0 HB3 CYS A 56 1.624 9.974 7.880 1.00 0.00 H new ATOM 0 HG CYS A 56 3.765 12.350 8.920 1.00 0.00 H new ATOM 833 N VAL A 57 3.188 8.410 6.061 1.00 0.00 N ATOM 834 CA VAL A 57 2.916 7.200 5.295 1.00 0.00 C ATOM 835 C VAL A 57 1.885 6.325 5.998 1.00 0.00 C ATOM 836 O VAL A 57 2.111 5.855 7.114 1.00 0.00 O ATOM 837 CB VAL A 57 4.199 6.379 5.067 1.00 0.00 C ATOM 838 CG1 VAL A 57 3.865 5.015 4.483 1.00 0.00 C ATOM 839 CG2 VAL A 57 5.161 7.135 4.162 1.00 0.00 C ATOM 0 H VAL A 57 3.733 8.258 6.910 1.00 0.00 H new ATOM 0 HA VAL A 57 2.521 7.519 4.330 1.00 0.00 H new ATOM 0 HB VAL A 57 4.686 6.225 6.030 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.784 4.450 4.329 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.217 4.473 5.172 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.354 5.143 3.529 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.062 6.541 4.011 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.684 7.322 3.200 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.426 8.085 4.626 1.00 0.00 H new ATOM 849 N TYR A 58 0.752 6.110 5.339 1.00 0.00 N ATOM 850 CA TYR A 58 -0.317 5.293 5.902 1.00 0.00 C ATOM 851 C TYR A 58 -0.316 3.896 5.287 1.00 0.00 C ATOM 852 O TYR A 58 -0.717 3.710 4.138 1.00 0.00 O ATOM 853 CB TYR A 58 -1.673 5.961 5.673 1.00 0.00 C ATOM 854 CG TYR A 58 -1.828 7.279 6.398 1.00 0.00 C ATOM 855 CD1 TYR A 58 -1.047 8.377 6.059 1.00 0.00 C ATOM 856 CD2 TYR A 58 -2.755 7.426 7.423 1.00 0.00 C ATOM 857 CE1 TYR A 58 -1.185 9.583 6.719 1.00 0.00 C ATOM 858 CE2 TYR A 58 -2.901 8.628 8.087 1.00 0.00 C ATOM 859 CZ TYR A 58 -2.113 9.704 7.732 1.00 0.00 C ATOM 860 OH TYR A 58 -2.254 10.903 8.393 1.00 0.00 O ATOM 0 H TYR A 58 0.550 6.490 4.414 1.00 0.00 H new ATOM 0 HA TYR A 58 -0.142 5.200 6.974 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -1.812 6.125 4.604 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.462 5.283 5.997 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -0.320 8.286 5.266 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -3.372 6.586 7.705 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -0.569 10.426 6.443 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -3.628 8.726 8.880 1.00 0.00 H new ATOM 0 HH TYR A 58 -2.951 10.819 9.077 1.00 0.00 H new ATOM 870 N THR A 59 0.139 2.916 6.062 1.00 0.00 N ATOM 871 CA THR A 59 0.193 1.536 5.596 1.00 0.00 C ATOM 872 C THR A 59 -1.123 0.814 5.859 1.00 0.00 C ATOM 873 O THR A 59 -1.694 0.921 6.945 1.00 0.00 O ATOM 874 CB THR A 59 1.337 0.759 6.274 1.00 0.00 C ATOM 875 OG1 THR A 59 2.588 1.407 6.020 1.00 0.00 O ATOM 876 CG2 THR A 59 1.391 -0.675 5.769 1.00 0.00 C ATOM 0 H THR A 59 0.475 3.053 7.015 1.00 0.00 H new ATOM 0 HA THR A 59 0.375 1.572 4.522 1.00 0.00 H new ATOM 0 HB THR A 59 1.149 0.743 7.347 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.736 1.466 5.053 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.207 -1.204 6.262 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.448 -1.175 5.991 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.557 -0.675 4.692 1.00 0.00 H new ATOM 884 N TYR A 60 -1.599 0.079 4.861 1.00 0.00 N ATOM 885 CA TYR A 60 -2.850 -0.660 4.985 1.00 0.00 C ATOM 886 C TYR A 60 -2.648 -2.134 4.648 1.00 0.00 C ATOM 887 O TYR A 60 -2.470 -2.498 3.486 1.00 0.00 O ATOM 888 CB TYR A 60 -3.916 -0.058 4.068 1.00 0.00 C ATOM 889 CG TYR A 60 -4.543 1.205 4.615 1.00 0.00 C ATOM 890 CD1 TYR A 60 -5.418 1.158 5.693 1.00 0.00 C ATOM 891 CD2 TYR A 60 -4.259 2.444 4.055 1.00 0.00 C ATOM 892 CE1 TYR A 60 -5.994 2.309 6.196 1.00 0.00 C ATOM 893 CE2 TYR A 60 -4.829 3.600 4.552 1.00 0.00 C ATOM 894 CZ TYR A 60 -5.696 3.527 5.622 1.00 0.00 C ATOM 895 OH TYR A 60 -6.266 4.676 6.121 1.00 0.00 O ATOM 0 H TYR A 60 -1.138 -0.021 3.957 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.185 -0.585 6.019 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -3.468 0.159 3.098 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.698 -0.798 3.899 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -5.652 0.206 6.146 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -3.581 2.505 3.217 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.674 2.255 7.034 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.597 4.555 4.105 1.00 0.00 H new ATOM 0 HH TYR A 60 -5.783 5.457 5.778 1.00 0.00 H new ATOM 905 N ARG A 61 -2.677 -2.978 5.674 1.00 0.00 N ATOM 906 CA ARG A 61 -2.497 -4.413 5.489 1.00 0.00 C ATOM 907 C ARG A 61 -3.738 -5.041 4.862 1.00 0.00 C ATOM 908 O ARG A 61 -4.863 -4.775 5.288 1.00 0.00 O ATOM 909 CB ARG A 61 -2.193 -5.087 6.828 1.00 0.00 C ATOM 910 CG ARG A 61 -0.734 -4.986 7.243 1.00 0.00 C ATOM 911 CD ARG A 61 -0.377 -6.037 8.283 1.00 0.00 C ATOM 912 NE ARG A 61 -0.941 -5.725 9.593 1.00 0.00 N ATOM 913 CZ ARG A 61 -0.386 -4.873 10.448 1.00 0.00 C ATOM 914 NH1 ARG A 61 0.742 -4.251 10.132 1.00 0.00 N ATOM 915 NH2 ARG A 61 -0.959 -4.641 11.622 1.00 0.00 N ATOM 0 H ARG A 61 -2.823 -2.693 6.642 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.654 -4.564 4.814 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.814 -4.636 7.602 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.473 -6.139 6.768 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.096 -5.107 6.367 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.537 -3.992 7.646 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.741 -7.010 7.954 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.707 -6.113 8.364 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.809 -6.186 9.867 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.186 -4.426 9.230 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.166 -3.597 10.791 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.827 -5.117 11.869 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.532 -3.987 12.278 1.00 0.00 H new ATOM 929 N ILE A 62 -3.526 -5.873 3.848 1.00 0.00 N ATOM 930 CA ILE A 62 -4.627 -6.538 3.163 1.00 0.00 C ATOM 931 C ILE A 62 -4.539 -8.052 3.322 1.00 0.00 C ATOM 932 O ILE A 62 -3.777 -8.718 2.619 1.00 0.00 O ATOM 933 CB ILE A 62 -4.649 -6.191 1.663 1.00 0.00 C ATOM 934 CG1 ILE A 62 -4.929 -4.699 1.467 1.00 0.00 C ATOM 935 CG2 ILE A 62 -5.692 -7.030 0.940 1.00 0.00 C ATOM 936 CD1 ILE A 62 -4.295 -4.125 0.219 1.00 0.00 C ATOM 0 H ILE A 62 -2.602 -6.103 3.483 1.00 0.00 H new ATOM 0 HA ILE A 62 -5.548 -6.179 3.624 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.671 -6.418 1.238 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -6.007 -4.542 1.422 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -4.563 -4.152 2.336 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -5.695 -6.773 -0.119 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.453 -8.087 1.056 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -6.676 -6.832 1.364 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -4.535 -3.064 0.144 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.213 -4.250 0.270 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -4.679 -4.647 -0.657 1.00 0.00 H new ATOM 948 N LEU A 63 -5.324 -8.592 4.247 1.00 0.00 N ATOM 949 CA LEU A 63 -5.337 -10.029 4.497 1.00 0.00 C ATOM 950 C LEU A 63 -6.257 -10.745 3.514 1.00 0.00 C ATOM 951 O LEU A 63 -7.314 -10.240 3.135 1.00 0.00 O ATOM 952 CB LEU A 63 -5.785 -10.313 5.932 1.00 0.00 C ATOM 953 CG LEU A 63 -4.752 -10.038 7.025 1.00 0.00 C ATOM 954 CD1 LEU A 63 -3.635 -11.069 6.975 1.00 0.00 C ATOM 955 CD2 LEU A 63 -4.188 -8.631 6.884 1.00 0.00 C ATOM 0 H LEU A 63 -5.960 -8.056 4.837 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.324 -10.406 4.358 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.672 -9.714 6.140 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.084 -11.359 5.998 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.247 -10.115 7.993 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.909 -10.857 7.760 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.052 -12.065 7.125 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.142 -11.025 6.004 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.454 -8.453 7.670 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.709 -8.527 5.910 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.996 -7.905 6.970 1.00 0.00 H new ATOM 967 N PRO A 64 -5.849 -11.950 3.091 1.00 0.00 N ATOM 968 CA PRO A 64 -6.624 -12.763 2.148 1.00 0.00 C ATOM 969 C PRO A 64 -7.906 -13.306 2.769 1.00 0.00 C ATOM 970 O PRO A 64 -7.973 -13.538 3.975 1.00 0.00 O ATOM 971 CB PRO A 64 -5.670 -13.909 1.801 1.00 0.00 C ATOM 972 CG PRO A 64 -4.760 -14.013 2.976 1.00 0.00 C ATOM 973 CD PRO A 64 -4.600 -12.613 3.501 1.00 0.00 C ATOM 0 HA PRO A 64 -6.950 -12.185 1.283 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.213 -14.840 1.637 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.114 -13.699 0.887 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.180 -14.670 3.738 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -3.797 -14.434 2.688 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.476 -12.602 4.584 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.725 -12.121 3.075 1.00 0.00 H new ATOM 981 N ASN A 65 -8.922 -13.507 1.936 1.00 0.00 N ATOM 982 CA ASN A 65 -10.203 -14.024 2.404 1.00 0.00 C ATOM 983 C ASN A 65 -10.343 -15.508 2.079 1.00 0.00 C ATOM 984 O ASN A 65 -9.443 -16.113 1.497 1.00 0.00 O ATOM 985 CB ASN A 65 -11.355 -13.240 1.771 1.00 0.00 C ATOM 986 CG ASN A 65 -12.610 -13.270 2.620 1.00 0.00 C ATOM 987 OD1 ASN A 65 -12.555 -13.535 3.821 1.00 0.00 O ATOM 988 ND2 ASN A 65 -13.752 -12.999 1.998 1.00 0.00 N ATOM 0 H ASN A 65 -8.883 -13.320 0.934 1.00 0.00 H new ATOM 0 HA ASN A 65 -10.242 -13.903 3.487 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -11.047 -12.206 1.620 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -11.575 -13.654 0.787 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -14.630 -13.005 2.518 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -13.751 -12.785 1.001 1.00 0.00 H new ATOM 995 N GLU A 66 -11.478 -16.087 2.458 1.00 0.00 N ATOM 996 CA GLU A 66 -11.735 -17.500 2.206 1.00 0.00 C ATOM 997 C GLU A 66 -11.485 -17.846 0.741 1.00 0.00 C ATOM 998 O GLU A 66 -10.838 -18.846 0.430 1.00 0.00 O ATOM 999 CB GLU A 66 -13.174 -17.855 2.587 1.00 0.00 C ATOM 1000 CG GLU A 66 -13.381 -18.037 4.081 1.00 0.00 C ATOM 1001 CD GLU A 66 -14.830 -17.861 4.495 1.00 0.00 C ATOM 1002 OE1 GLU A 66 -15.571 -18.866 4.501 1.00 0.00 O ATOM 1003 OE2 GLU A 66 -15.222 -16.718 4.811 1.00 0.00 O ATOM 0 H GLU A 66 -12.233 -15.600 2.940 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.049 -18.083 2.821 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -13.840 -17.069 2.230 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -13.461 -18.773 2.075 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -13.042 -19.031 4.373 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.763 -17.319 4.620 1.00 0.00 H new ATOM 1010 N ASP A 67 -12.002 -17.012 -0.154 1.00 0.00 N ATOM 1011 CA ASP A 67 -11.835 -17.228 -1.587 1.00 0.00 C ATOM 1012 C ASP A 67 -10.607 -16.488 -2.108 1.00 0.00 C ATOM 1013 O ASP A 67 -10.595 -16.006 -3.241 1.00 0.00 O ATOM 1014 CB ASP A 67 -13.082 -16.768 -2.343 1.00 0.00 C ATOM 1015 CG ASP A 67 -14.145 -17.847 -2.416 1.00 0.00 C ATOM 1016 OD1 ASP A 67 -13.819 -18.972 -2.846 1.00 0.00 O ATOM 1017 OD2 ASP A 67 -15.304 -17.565 -2.044 1.00 0.00 O ATOM 0 H ASP A 67 -12.540 -16.180 0.087 1.00 0.00 H new ATOM 0 HA ASP A 67 -11.692 -18.296 -1.754 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -13.496 -15.887 -1.853 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -12.802 -16.469 -3.353 1.00 0.00 H new ATOM 1022 N ASP A 68 -9.577 -16.401 -1.274 1.00 0.00 N ATOM 1023 CA ASP A 68 -8.344 -15.719 -1.651 1.00 0.00 C ATOM 1024 C ASP A 68 -8.637 -14.320 -2.183 1.00 0.00 C ATOM 1025 O ASP A 68 -7.949 -13.827 -3.077 1.00 0.00 O ATOM 1026 CB ASP A 68 -7.588 -16.531 -2.705 1.00 0.00 C ATOM 1027 CG ASP A 68 -7.496 -18.001 -2.346 1.00 0.00 C ATOM 1028 OD1 ASP A 68 -8.556 -18.633 -2.157 1.00 0.00 O ATOM 1029 OD2 ASP A 68 -6.363 -18.520 -2.253 1.00 0.00 O ATOM 0 H ASP A 68 -9.571 -16.794 -0.333 1.00 0.00 H new ATOM 0 HA ASP A 68 -7.723 -15.627 -0.760 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.088 -16.426 -3.668 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.583 -16.125 -2.821 1.00 0.00 H new ATOM 1034 N LYS A 69 -9.664 -13.685 -1.628 1.00 0.00 N ATOM 1035 CA LYS A 69 -10.049 -12.342 -2.046 1.00 0.00 C ATOM 1036 C LYS A 69 -9.219 -11.288 -1.321 1.00 0.00 C ATOM 1037 O LYS A 69 -8.856 -11.460 -0.157 1.00 0.00 O ATOM 1038 CB LYS A 69 -11.537 -12.109 -1.774 1.00 0.00 C ATOM 1039 CG LYS A 69 -12.453 -12.822 -2.755 1.00 0.00 C ATOM 1040 CD LYS A 69 -12.721 -11.972 -3.986 1.00 0.00 C ATOM 1041 CE LYS A 69 -13.138 -12.827 -5.173 1.00 0.00 C ATOM 1042 NZ LYS A 69 -13.893 -12.039 -6.186 1.00 0.00 N ATOM 0 H LYS A 69 -10.245 -14.079 -0.888 1.00 0.00 H new ATOM 0 HA LYS A 69 -9.862 -12.254 -3.116 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -11.770 -12.444 -0.763 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -11.741 -11.039 -1.811 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -12.001 -13.767 -3.056 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -13.397 -13.062 -2.265 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -13.504 -11.247 -3.765 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.825 -11.406 -4.241 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -12.252 -13.261 -5.637 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -13.754 -13.656 -4.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -13.782 -12.479 -7.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -14.901 -12.020 -5.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.524 -11.067 -6.215 1.00 0.00 H new ATOM 1056 N PHE A 70 -8.921 -10.195 -2.017 1.00 0.00 N ATOM 1057 CA PHE A 70 -8.134 -9.112 -1.439 1.00 0.00 C ATOM 1058 C PHE A 70 -9.034 -7.964 -0.992 1.00 0.00 C ATOM 1059 O PHE A 70 -9.548 -7.205 -1.815 1.00 0.00 O ATOM 1060 CB PHE A 70 -7.105 -8.605 -2.452 1.00 0.00 C ATOM 1061 CG PHE A 70 -6.051 -9.618 -2.795 1.00 0.00 C ATOM 1062 CD1 PHE A 70 -5.341 -10.263 -1.796 1.00 0.00 C ATOM 1063 CD2 PHE A 70 -5.772 -9.926 -4.117 1.00 0.00 C ATOM 1064 CE1 PHE A 70 -4.370 -11.196 -2.110 1.00 0.00 C ATOM 1065 CE2 PHE A 70 -4.803 -10.858 -4.437 1.00 0.00 C ATOM 1066 CZ PHE A 70 -4.101 -11.495 -3.431 1.00 0.00 C ATOM 0 H PHE A 70 -9.213 -10.036 -2.981 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.612 -9.501 -0.565 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.622 -8.307 -3.364 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.623 -7.712 -2.053 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.548 -10.035 -0.761 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.318 -9.432 -4.907 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.822 -11.691 -1.322 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.595 -11.088 -5.471 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.344 -12.225 -3.678 1.00 0.00 H new ATOM 1076 N THR A 71 -9.220 -7.841 0.319 1.00 0.00 N ATOM 1077 CA THR A 71 -10.058 -6.788 0.876 1.00 0.00 C ATOM 1078 C THR A 71 -9.327 -6.027 1.976 1.00 0.00 C ATOM 1079 O THR A 71 -9.046 -6.575 3.042 1.00 0.00 O ATOM 1080 CB THR A 71 -11.371 -7.357 1.447 1.00 0.00 C ATOM 1081 OG1 THR A 71 -11.126 -7.977 2.714 1.00 0.00 O ATOM 1082 CG2 THR A 71 -11.982 -8.370 0.491 1.00 0.00 C ATOM 0 H THR A 71 -8.801 -8.458 1.014 1.00 0.00 H new ATOM 0 HA THR A 71 -10.291 -6.105 0.059 1.00 0.00 H new ATOM 0 HB THR A 71 -12.073 -6.533 1.576 1.00 0.00 H new ATOM 0 HG1 THR A 71 -10.178 -7.884 2.946 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.908 -8.758 0.915 1.00 0.00 H new ATOM 0 HG22 THR A 71 -12.194 -7.888 -0.463 1.00 0.00 H new ATOM 0 HG23 THR A 71 -11.282 -9.191 0.335 1.00 0.00 H new ATOM 1090 N VAL A 72 -9.021 -4.761 1.711 1.00 0.00 N ATOM 1091 CA VAL A 72 -8.323 -3.924 2.680 1.00 0.00 C ATOM 1092 C VAL A 72 -9.097 -3.840 3.991 1.00 0.00 C ATOM 1093 O VAL A 72 -10.273 -3.478 4.007 1.00 0.00 O ATOM 1094 CB VAL A 72 -8.101 -2.501 2.136 1.00 0.00 C ATOM 1095 CG1 VAL A 72 -7.478 -1.612 3.201 1.00 0.00 C ATOM 1096 CG2 VAL A 72 -7.233 -2.538 0.887 1.00 0.00 C ATOM 0 H VAL A 72 -9.245 -4.292 0.833 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.355 -4.390 2.862 1.00 0.00 H new ATOM 0 HB VAL A 72 -9.069 -2.079 1.866 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.329 -0.611 2.797 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -8.141 -1.560 4.065 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.517 -2.027 3.505 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -7.086 -1.524 0.516 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.266 -2.979 1.129 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -7.724 -3.137 0.120 1.00 0.00 H new ATOM 1106 N GLN A 73 -8.428 -4.176 5.089 1.00 0.00 N ATOM 1107 CA GLN A 73 -9.053 -4.139 6.406 1.00 0.00 C ATOM 1108 C GLN A 73 -8.837 -2.784 7.073 1.00 0.00 C ATOM 1109 O GLN A 73 -7.898 -2.606 7.848 1.00 0.00 O ATOM 1110 CB GLN A 73 -8.492 -5.252 7.292 1.00 0.00 C ATOM 1111 CG GLN A 73 -8.662 -6.643 6.703 1.00 0.00 C ATOM 1112 CD GLN A 73 -8.459 -7.740 7.729 1.00 0.00 C ATOM 1113 OE1 GLN A 73 -8.114 -7.473 8.881 1.00 0.00 O ATOM 1114 NE2 GLN A 73 -8.673 -8.984 7.317 1.00 0.00 N ATOM 0 H GLN A 73 -7.453 -4.477 5.093 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.124 -4.293 6.276 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -7.432 -5.067 7.466 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -8.985 -5.215 8.263 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -9.660 -6.732 6.274 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.951 -6.777 5.888 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.958 -9.160 6.354 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -8.553 -9.763 7.964 1.00 0.00 H new ATOM 1123 N ALA A 74 -9.712 -1.832 6.765 1.00 0.00 N ATOM 1124 CA ALA A 74 -9.618 -0.494 7.335 1.00 0.00 C ATOM 1125 C ALA A 74 -10.571 -0.332 8.514 1.00 0.00 C ATOM 1126 O ALA A 74 -10.179 0.140 9.581 1.00 0.00 O ATOM 1127 CB ALA A 74 -9.906 0.555 6.272 1.00 0.00 C ATOM 0 H ALA A 74 -10.494 -1.963 6.124 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.601 -0.353 7.701 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.832 1.549 6.713 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.181 0.462 5.463 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.911 0.407 5.877 1.00 0.00 H new ATOM 1133 N SER A 75 -11.825 -0.725 8.313 1.00 0.00 N ATOM 1134 CA SER A 75 -12.836 -0.618 9.359 1.00 0.00 C ATOM 1135 C SER A 75 -13.861 -1.742 9.240 1.00 0.00 C ATOM 1136 O SER A 75 -14.240 -2.136 8.138 1.00 0.00 O ATOM 1137 CB SER A 75 -13.539 0.739 9.281 1.00 0.00 C ATOM 1138 OG SER A 75 -12.716 1.770 9.798 1.00 0.00 O ATOM 0 H SER A 75 -12.165 -1.120 7.436 1.00 0.00 H new ATOM 0 HA SER A 75 -12.336 -0.706 10.324 1.00 0.00 H new ATOM 0 HB2 SER A 75 -13.796 0.960 8.245 1.00 0.00 H new ATOM 0 HB3 SER A 75 -14.474 0.701 9.840 1.00 0.00 H new ATOM 0 HG SER A 75 -11.804 1.431 9.919 1.00 0.00 H new ATOM 1144 N GLU A 76 -14.304 -2.254 10.385 1.00 0.00 N ATOM 1145 CA GLU A 76 -15.284 -3.333 10.409 1.00 0.00 C ATOM 1146 C GLU A 76 -16.694 -2.783 10.602 1.00 0.00 C ATOM 1147 O GLU A 76 -16.903 -1.828 11.349 1.00 0.00 O ATOM 1148 CB GLU A 76 -14.954 -4.326 11.526 1.00 0.00 C ATOM 1149 CG GLU A 76 -14.613 -3.662 12.850 1.00 0.00 C ATOM 1150 CD GLU A 76 -14.556 -4.648 14.000 1.00 0.00 C ATOM 1151 OE1 GLU A 76 -14.062 -5.776 13.791 1.00 0.00 O ATOM 1152 OE2 GLU A 76 -15.006 -4.292 15.109 1.00 0.00 O ATOM 0 H GLU A 76 -14.000 -1.939 11.306 1.00 0.00 H new ATOM 0 HA GLU A 76 -15.243 -3.849 9.450 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -15.805 -4.992 11.672 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -14.114 -4.946 11.213 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -13.651 -3.157 12.762 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -15.356 -2.896 13.070 1.00 0.00 H new ATOM 1159 N GLY A 77 -17.659 -3.394 9.922 1.00 0.00 N ATOM 1160 CA GLY A 77 -19.037 -2.952 10.031 1.00 0.00 C ATOM 1161 C GLY A 77 -19.563 -2.366 8.736 1.00 0.00 C ATOM 1162 O GLY A 77 -20.683 -2.663 8.320 1.00 0.00 O ATOM 0 H GLY A 77 -17.511 -4.187 9.298 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -19.663 -3.794 10.326 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -19.114 -2.206 10.822 1.00 0.00 H new ATOM 1166 N VAL A 78 -18.752 -1.529 8.096 1.00 0.00 N ATOM 1167 CA VAL A 78 -19.142 -0.898 6.840 1.00 0.00 C ATOM 1168 C VAL A 78 -19.048 -1.882 5.679 1.00 0.00 C ATOM 1169 O VAL A 78 -17.964 -2.352 5.336 1.00 0.00 O ATOM 1170 CB VAL A 78 -18.262 0.328 6.532 1.00 0.00 C ATOM 1171 CG1 VAL A 78 -18.635 0.927 5.184 1.00 0.00 C ATOM 1172 CG2 VAL A 78 -18.388 1.365 7.638 1.00 0.00 C ATOM 0 H VAL A 78 -17.822 -1.272 8.426 1.00 0.00 H new ATOM 0 HA VAL A 78 -20.176 -0.574 6.955 1.00 0.00 H new ATOM 0 HB VAL A 78 -17.222 0.005 6.485 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -18.003 1.792 4.983 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -18.490 0.182 4.402 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -19.680 1.237 5.200 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -17.760 2.224 7.404 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -19.426 1.686 7.719 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -18.068 0.928 8.584 1.00 0.00 H new ATOM 1182 N SER A 79 -20.193 -2.188 5.077 1.00 0.00 N ATOM 1183 CA SER A 79 -20.241 -3.119 3.955 1.00 0.00 C ATOM 1184 C SER A 79 -19.080 -2.875 2.996 1.00 0.00 C ATOM 1185 O SER A 79 -19.163 -2.030 2.106 1.00 0.00 O ATOM 1186 CB SER A 79 -21.570 -2.984 3.210 1.00 0.00 C ATOM 1187 OG SER A 79 -22.662 -3.321 4.047 1.00 0.00 O ATOM 0 H SER A 79 -21.099 -1.805 5.347 1.00 0.00 H new ATOM 0 HA SER A 79 -20.155 -4.131 4.351 1.00 0.00 H new ATOM 0 HB2 SER A 79 -21.686 -1.962 2.850 1.00 0.00 H new ATOM 0 HB3 SER A 79 -21.566 -3.632 2.334 1.00 0.00 H new ATOM 0 HG SER A 79 -23.499 -3.225 3.547 1.00 0.00 H new ATOM 1193 N MET A 80 -17.997 -3.622 3.186 1.00 0.00 N ATOM 1194 CA MET A 80 -16.819 -3.488 2.338 1.00 0.00 C ATOM 1195 C MET A 80 -16.960 -4.331 1.074 1.00 0.00 C ATOM 1196 O MET A 80 -17.678 -5.331 1.061 1.00 0.00 O ATOM 1197 CB MET A 80 -15.562 -3.905 3.105 1.00 0.00 C ATOM 1198 CG MET A 80 -15.594 -5.346 3.587 1.00 0.00 C ATOM 1199 SD MET A 80 -14.103 -5.809 4.488 1.00 0.00 S ATOM 1200 CE MET A 80 -14.251 -7.594 4.493 1.00 0.00 C ATOM 0 H MET A 80 -17.911 -4.326 3.919 1.00 0.00 H new ATOM 0 HA MET A 80 -16.729 -2.441 2.047 1.00 0.00 H new ATOM 0 HB2 MET A 80 -14.692 -3.764 2.464 1.00 0.00 H new ATOM 0 HB3 MET A 80 -15.435 -3.246 3.964 1.00 0.00 H new ATOM 0 HG2 MET A 80 -16.462 -5.491 4.230 1.00 0.00 H new ATOM 0 HG3 MET A 80 -15.717 -6.009 2.731 1.00 0.00 H new ATOM 0 HE1 MET A 80 -13.418 -8.027 5.047 1.00 0.00 H new ATOM 0 HE2 MET A 80 -15.190 -7.880 4.967 1.00 0.00 H new ATOM 0 HE3 MET A 80 -14.235 -7.963 3.468 1.00 0.00 H new ATOM 1210 N ARG A 81 -16.271 -3.921 0.015 1.00 0.00 N ATOM 1211 CA ARG A 81 -16.321 -4.638 -1.254 1.00 0.00 C ATOM 1212 C ARG A 81 -15.186 -5.653 -1.350 1.00 0.00 C ATOM 1213 O ARG A 81 -14.224 -5.599 -0.583 1.00 0.00 O ATOM 1214 CB ARG A 81 -16.242 -3.655 -2.423 1.00 0.00 C ATOM 1215 CG ARG A 81 -17.597 -3.139 -2.878 1.00 0.00 C ATOM 1216 CD ARG A 81 -18.212 -4.044 -3.934 1.00 0.00 C ATOM 1217 NE ARG A 81 -19.008 -5.115 -3.340 1.00 0.00 N ATOM 1218 CZ ARG A 81 -20.127 -4.906 -2.655 1.00 0.00 C ATOM 1219 NH1 ARG A 81 -20.581 -3.673 -2.481 1.00 0.00 N ATOM 1220 NH2 ARG A 81 -20.795 -5.933 -2.145 1.00 0.00 N ATOM 0 H ARG A 81 -15.671 -3.096 0.010 1.00 0.00 H new ATOM 0 HA ARG A 81 -17.269 -5.174 -1.303 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -15.619 -2.809 -2.133 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -15.747 -4.142 -3.263 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -18.267 -3.070 -2.021 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -17.488 -2.132 -3.280 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -18.840 -3.451 -4.598 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -17.421 -4.477 -4.546 1.00 0.00 H new ATOM 0 HE ARG A 81 -18.687 -6.076 -3.458 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -20.071 -2.882 -2.873 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -21.440 -3.516 -1.955 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -20.449 -6.883 -2.279 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -21.654 -5.772 -1.619 1.00 0.00 H new ATOM 1234 N PHE A 82 -15.305 -6.578 -2.297 1.00 0.00 N ATOM 1235 CA PHE A 82 -14.290 -7.606 -2.493 1.00 0.00 C ATOM 1236 C PHE A 82 -13.870 -7.684 -3.958 1.00 0.00 C ATOM 1237 O PHE A 82 -14.619 -7.288 -4.852 1.00 0.00 O ATOM 1238 CB PHE A 82 -14.814 -8.966 -2.028 1.00 0.00 C ATOM 1239 CG PHE A 82 -15.632 -8.895 -0.770 1.00 0.00 C ATOM 1240 CD1 PHE A 82 -16.865 -8.264 -0.764 1.00 0.00 C ATOM 1241 CD2 PHE A 82 -15.167 -9.459 0.407 1.00 0.00 C ATOM 1242 CE1 PHE A 82 -17.619 -8.196 0.392 1.00 0.00 C ATOM 1243 CE2 PHE A 82 -15.916 -9.395 1.567 1.00 0.00 C ATOM 1244 CZ PHE A 82 -17.144 -8.764 1.559 1.00 0.00 C ATOM 0 H PHE A 82 -16.094 -6.636 -2.940 1.00 0.00 H new ATOM 0 HA PHE A 82 -13.418 -7.338 -1.897 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -15.420 -9.404 -2.822 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -13.969 -9.636 -1.865 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -17.242 -7.820 -1.674 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -14.208 -9.955 0.418 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -18.578 -7.700 0.384 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -15.541 -9.838 2.478 1.00 0.00 H new ATOM 0 HZ PHE A 82 -17.732 -8.714 2.463 1.00 0.00 H new ATOM 1254 N PHE A 83 -12.667 -8.197 -4.196 1.00 0.00 N ATOM 1255 CA PHE A 83 -12.146 -8.326 -5.552 1.00 0.00 C ATOM 1256 C PHE A 83 -11.130 -9.461 -5.638 1.00 0.00 C ATOM 1257 O PHE A 83 -10.242 -9.581 -4.793 1.00 0.00 O ATOM 1258 CB PHE A 83 -11.501 -7.013 -6.000 1.00 0.00 C ATOM 1259 CG PHE A 83 -12.333 -5.801 -5.693 1.00 0.00 C ATOM 1260 CD1 PHE A 83 -12.321 -5.239 -4.426 1.00 0.00 C ATOM 1261 CD2 PHE A 83 -13.128 -5.224 -6.670 1.00 0.00 C ATOM 1262 CE1 PHE A 83 -13.084 -4.124 -4.140 1.00 0.00 C ATOM 1263 CE2 PHE A 83 -13.893 -4.108 -6.389 1.00 0.00 C ATOM 1264 CZ PHE A 83 -13.873 -3.558 -5.123 1.00 0.00 C ATOM 0 H PHE A 83 -12.035 -8.530 -3.468 1.00 0.00 H new ATOM 0 HA PHE A 83 -12.980 -8.557 -6.215 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -10.531 -6.910 -5.515 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -11.317 -7.055 -7.074 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -11.708 -5.678 -3.653 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -13.150 -5.651 -7.662 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -13.064 -3.695 -3.149 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -14.507 -3.666 -7.160 1.00 0.00 H new ATOM 0 HZ PHE A 83 -14.473 -2.687 -4.901 1.00 0.00 H new ATOM 1274 N THR A 84 -11.267 -10.294 -6.666 1.00 0.00 N ATOM 1275 CA THR A 84 -10.363 -11.420 -6.863 1.00 0.00 C ATOM 1276 C THR A 84 -8.973 -10.944 -7.271 1.00 0.00 C ATOM 1277 O THR A 84 -7.963 -11.468 -6.800 1.00 0.00 O ATOM 1278 CB THR A 84 -10.897 -12.388 -7.935 1.00 0.00 C ATOM 1279 OG1 THR A 84 -9.942 -13.428 -8.176 1.00 0.00 O ATOM 1280 CG2 THR A 84 -11.190 -11.651 -9.232 1.00 0.00 C ATOM 0 H THR A 84 -11.996 -10.209 -7.375 1.00 0.00 H new ATOM 0 HA THR A 84 -10.299 -11.945 -5.910 1.00 0.00 H new ATOM 0 HB THR A 84 -11.825 -12.826 -7.567 1.00 0.00 H new ATOM 0 HG1 THR A 84 -10.290 -14.040 -8.858 1.00 0.00 H new ATOM 0 HG21 THR A 84 -11.566 -12.356 -9.974 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.939 -10.880 -9.051 1.00 0.00 H new ATOM 0 HG23 THR A 84 -10.275 -11.188 -9.602 1.00 0.00 H new ATOM 1288 N LYS A 85 -8.928 -9.949 -8.150 1.00 0.00 N ATOM 1289 CA LYS A 85 -7.662 -9.401 -8.621 1.00 0.00 C ATOM 1290 C LYS A 85 -7.312 -8.118 -7.873 1.00 0.00 C ATOM 1291 O LYS A 85 -8.174 -7.270 -7.637 1.00 0.00 O ATOM 1292 CB LYS A 85 -7.730 -9.124 -10.125 1.00 0.00 C ATOM 1293 CG LYS A 85 -8.129 -10.336 -10.948 1.00 0.00 C ATOM 1294 CD LYS A 85 -7.514 -10.293 -12.338 1.00 0.00 C ATOM 1295 CE LYS A 85 -8.360 -9.468 -13.296 1.00 0.00 C ATOM 1296 NZ LYS A 85 -7.653 -9.212 -14.581 1.00 0.00 N ATOM 0 H LYS A 85 -9.754 -9.505 -8.551 1.00 0.00 H new ATOM 0 HA LYS A 85 -6.882 -10.138 -8.428 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -8.444 -8.321 -10.306 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.757 -8.768 -10.465 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.812 -11.245 -10.437 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -9.215 -10.379 -11.031 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.511 -9.870 -12.280 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.411 -11.307 -12.723 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -9.296 -9.989 -13.494 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.617 -8.518 -12.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -8.263 -8.647 -15.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -6.772 -8.692 -14.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -7.430 -10.118 -15.041 1.00 0.00 H new ATOM 1310 N LEU A 86 -6.044 -7.981 -7.503 1.00 0.00 N ATOM 1311 CA LEU A 86 -5.580 -6.801 -6.783 1.00 0.00 C ATOM 1312 C LEU A 86 -5.845 -5.532 -7.588 1.00 0.00 C ATOM 1313 O LEU A 86 -6.207 -4.496 -7.031 1.00 0.00 O ATOM 1314 CB LEU A 86 -4.086 -6.920 -6.476 1.00 0.00 C ATOM 1315 CG LEU A 86 -3.604 -6.218 -5.206 1.00 0.00 C ATOM 1316 CD1 LEU A 86 -4.082 -4.775 -5.179 1.00 0.00 C ATOM 1317 CD2 LEU A 86 -4.083 -6.964 -3.969 1.00 0.00 C ATOM 0 H LEU A 86 -5.318 -8.673 -7.690 1.00 0.00 H new ATOM 0 HA LEU A 86 -6.133 -6.738 -5.846 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.834 -7.978 -6.400 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.528 -6.519 -7.323 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.514 -6.218 -5.206 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.729 -4.292 -4.268 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.689 -4.245 -6.046 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.171 -4.752 -5.203 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.730 -6.450 -3.075 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.172 -6.997 -3.963 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.690 -7.980 -3.982 1.00 0.00 H new ATOM 1329 N ASP A 87 -5.666 -5.623 -8.901 1.00 0.00 N ATOM 1330 CA ASP A 87 -5.889 -4.484 -9.784 1.00 0.00 C ATOM 1331 C ASP A 87 -7.354 -4.062 -9.766 1.00 0.00 C ATOM 1332 O ASP A 87 -7.666 -2.872 -9.730 1.00 0.00 O ATOM 1333 CB ASP A 87 -5.461 -4.827 -11.212 1.00 0.00 C ATOM 1334 CG ASP A 87 -6.093 -3.910 -12.241 1.00 0.00 C ATOM 1335 OD1 ASP A 87 -5.691 -2.730 -12.310 1.00 0.00 O ATOM 1336 OD2 ASP A 87 -6.990 -4.373 -12.977 1.00 0.00 O ATOM 0 H ASP A 87 -5.367 -6.474 -9.378 1.00 0.00 H new ATOM 0 HA ASP A 87 -5.285 -3.651 -9.423 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.376 -4.761 -11.289 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.734 -5.859 -11.432 1.00 0.00 H new ATOM 1341 N GLN A 88 -8.249 -5.045 -9.792 1.00 0.00 N ATOM 1342 CA GLN A 88 -9.681 -4.774 -9.781 1.00 0.00 C ATOM 1343 C GLN A 88 -10.100 -4.115 -8.471 1.00 0.00 C ATOM 1344 O GLN A 88 -11.218 -3.613 -8.346 1.00 0.00 O ATOM 1345 CB GLN A 88 -10.468 -6.069 -9.989 1.00 0.00 C ATOM 1346 CG GLN A 88 -10.373 -6.618 -11.403 1.00 0.00 C ATOM 1347 CD GLN A 88 -11.381 -5.986 -12.343 1.00 0.00 C ATOM 1348 OE1 GLN A 88 -11.021 -5.471 -13.402 1.00 0.00 O ATOM 1349 NE2 GLN A 88 -12.652 -6.024 -11.961 1.00 0.00 N ATOM 0 H GLN A 88 -8.007 -6.036 -9.821 1.00 0.00 H new ATOM 0 HA GLN A 88 -9.902 -4.088 -10.599 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -10.103 -6.822 -9.290 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -11.516 -5.891 -9.747 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -9.367 -6.449 -11.788 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -10.529 -7.697 -11.381 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -12.905 -6.461 -11.075 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -13.375 -5.616 -12.554 1.00 0.00 H new ATOM 1358 N LEU A 89 -9.197 -4.120 -7.497 1.00 0.00 N ATOM 1359 CA LEU A 89 -9.473 -3.522 -6.195 1.00 0.00 C ATOM 1360 C LEU A 89 -8.940 -2.095 -6.126 1.00 0.00 C ATOM 1361 O LEU A 89 -9.494 -1.248 -5.425 1.00 0.00 O ATOM 1362 CB LEU A 89 -8.849 -4.366 -5.082 1.00 0.00 C ATOM 1363 CG LEU A 89 -8.804 -3.722 -3.696 1.00 0.00 C ATOM 1364 CD1 LEU A 89 -8.726 -4.788 -2.614 1.00 0.00 C ATOM 1365 CD2 LEU A 89 -7.626 -2.764 -3.590 1.00 0.00 C ATOM 0 H LEU A 89 -8.268 -4.531 -7.584 1.00 0.00 H new ATOM 0 HA LEU A 89 -10.554 -3.493 -6.058 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -9.404 -5.301 -5.008 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.831 -4.622 -5.375 1.00 0.00 H new ATOM 0 HG LEU A 89 -9.723 -3.153 -3.551 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.695 -4.311 -1.635 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.602 -5.433 -2.675 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -7.825 -5.385 -2.756 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.610 -2.315 -2.597 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.697 -3.310 -3.756 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.726 -1.980 -4.341 1.00 0.00 H new ATOM 1377 N ILE A 90 -7.863 -1.835 -6.860 1.00 0.00 N ATOM 1378 CA ILE A 90 -7.258 -0.510 -6.885 1.00 0.00 C ATOM 1379 C ILE A 90 -8.153 0.490 -7.610 1.00 0.00 C ATOM 1380 O ILE A 90 -8.546 1.509 -7.044 1.00 0.00 O ATOM 1381 CB ILE A 90 -5.877 -0.534 -7.567 1.00 0.00 C ATOM 1382 CG1 ILE A 90 -4.937 -1.490 -6.830 1.00 0.00 C ATOM 1383 CG2 ILE A 90 -5.286 0.867 -7.616 1.00 0.00 C ATOM 1384 CD1 ILE A 90 -4.622 -1.057 -5.416 1.00 0.00 C ATOM 0 H ILE A 90 -7.392 -2.525 -7.445 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.136 -0.200 -5.847 1.00 0.00 H new ATOM 0 HB ILE A 90 -5.999 -0.891 -8.590 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -5.387 -2.482 -6.806 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -4.006 -1.576 -7.391 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.310 0.834 -8.101 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -5.949 1.522 -8.181 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.174 1.250 -6.602 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -3.951 -1.781 -4.955 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.143 -0.078 -5.433 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.545 -0.999 -4.839 1.00 0.00 H new ATOM 1396 N GLU A 91 -8.472 0.189 -8.865 1.00 0.00 N ATOM 1397 CA GLU A 91 -9.322 1.061 -9.666 1.00 0.00 C ATOM 1398 C GLU A 91 -10.577 1.458 -8.893 1.00 0.00 C ATOM 1399 O GLU A 91 -11.047 2.592 -8.990 1.00 0.00 O ATOM 1400 CB GLU A 91 -9.713 0.369 -10.973 1.00 0.00 C ATOM 1401 CG GLU A 91 -10.361 -0.991 -10.772 1.00 0.00 C ATOM 1402 CD GLU A 91 -10.633 -1.707 -12.080 1.00 0.00 C ATOM 1403 OE1 GLU A 91 -11.711 -1.479 -12.669 1.00 0.00 O ATOM 1404 OE2 GLU A 91 -9.768 -2.496 -12.516 1.00 0.00 O ATOM 0 H GLU A 91 -8.155 -0.651 -9.348 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.757 1.964 -9.896 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.400 1.012 -11.523 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.823 0.250 -11.592 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -9.713 -1.610 -10.151 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.298 -0.866 -10.229 1.00 0.00 H new ATOM 1411 N PHE A 92 -11.115 0.516 -8.126 1.00 0.00 N ATOM 1412 CA PHE A 92 -12.316 0.765 -7.338 1.00 0.00 C ATOM 1413 C PHE A 92 -12.006 1.665 -6.145 1.00 0.00 C ATOM 1414 O PHE A 92 -12.866 2.411 -5.676 1.00 0.00 O ATOM 1415 CB PHE A 92 -12.917 -0.556 -6.852 1.00 0.00 C ATOM 1416 CG PHE A 92 -14.317 -0.420 -6.326 1.00 0.00 C ATOM 1417 CD1 PHE A 92 -15.403 -0.473 -7.185 1.00 0.00 C ATOM 1418 CD2 PHE A 92 -14.547 -0.238 -4.971 1.00 0.00 C ATOM 1419 CE1 PHE A 92 -16.692 -0.349 -6.703 1.00 0.00 C ATOM 1420 CE2 PHE A 92 -15.835 -0.114 -4.484 1.00 0.00 C ATOM 1421 CZ PHE A 92 -16.908 -0.168 -5.351 1.00 0.00 C ATOM 0 H PHE A 92 -10.738 -0.427 -8.033 1.00 0.00 H new ATOM 0 HA PHE A 92 -13.040 1.272 -7.976 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -12.914 -1.271 -7.674 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -12.281 -0.969 -6.068 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -15.240 -0.613 -8.243 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -13.711 -0.193 -4.289 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -17.530 -0.394 -7.383 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -16.002 0.025 -3.426 1.00 0.00 H new ATOM 0 HZ PHE A 92 -17.915 -0.069 -4.973 1.00 0.00 H new ATOM 1431 N TYR A 93 -10.773 1.588 -5.659 1.00 0.00 N ATOM 1432 CA TYR A 93 -10.349 2.392 -4.519 1.00 0.00 C ATOM 1433 C TYR A 93 -9.815 3.746 -4.976 1.00 0.00 C ATOM 1434 O TYR A 93 -9.744 4.695 -4.195 1.00 0.00 O ATOM 1435 CB TYR A 93 -9.277 1.653 -3.717 1.00 0.00 C ATOM 1436 CG TYR A 93 -9.838 0.642 -2.742 1.00 0.00 C ATOM 1437 CD1 TYR A 93 -10.863 -0.218 -3.116 1.00 0.00 C ATOM 1438 CD2 TYR A 93 -9.344 0.547 -1.447 1.00 0.00 C ATOM 1439 CE1 TYR A 93 -11.380 -1.142 -2.229 1.00 0.00 C ATOM 1440 CE2 TYR A 93 -9.853 -0.375 -0.554 1.00 0.00 C ATOM 1441 CZ TYR A 93 -10.871 -1.217 -0.949 1.00 0.00 C ATOM 1442 OH TYR A 93 -11.382 -2.137 -0.063 1.00 0.00 O ATOM 0 H TYR A 93 -10.049 0.977 -6.037 1.00 0.00 H new ATOM 0 HA TYR A 93 -11.218 2.560 -3.883 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.605 1.144 -4.408 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -8.679 2.381 -3.169 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -11.263 -0.163 -4.118 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -8.548 1.206 -1.133 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -12.178 -1.802 -2.536 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -9.456 -0.436 0.448 1.00 0.00 H new ATOM 0 HH TYR A 93 -11.703 -2.921 -0.555 1.00 0.00 H new ATOM 1452 N LYS A 94 -9.440 3.828 -6.248 1.00 0.00 N ATOM 1453 CA LYS A 94 -8.914 5.065 -6.813 1.00 0.00 C ATOM 1454 C LYS A 94 -9.944 6.186 -6.723 1.00 0.00 C ATOM 1455 O LYS A 94 -9.631 7.352 -6.963 1.00 0.00 O ATOM 1456 CB LYS A 94 -8.505 4.850 -8.272 1.00 0.00 C ATOM 1457 CG LYS A 94 -7.176 4.132 -8.431 1.00 0.00 C ATOM 1458 CD LYS A 94 -6.516 4.468 -9.758 1.00 0.00 C ATOM 1459 CE LYS A 94 -6.929 3.492 -10.849 1.00 0.00 C ATOM 1460 NZ LYS A 94 -8.293 3.787 -11.369 1.00 0.00 N ATOM 0 H LYS A 94 -9.491 3.052 -6.908 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.037 5.355 -6.235 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -9.281 4.276 -8.778 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -8.448 5.817 -8.771 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -6.512 4.409 -7.613 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -7.333 3.055 -8.364 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -6.787 5.482 -10.054 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -5.432 4.448 -9.642 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.211 3.537 -11.668 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.902 2.476 -10.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.511 3.143 -12.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -8.991 3.653 -10.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -8.331 4.770 -11.705 1.00 0.00 H new ATOM 1474 N LYS A 95 -11.175 5.826 -6.373 1.00 0.00 N ATOM 1475 CA LYS A 95 -12.251 6.801 -6.248 1.00 0.00 C ATOM 1476 C LYS A 95 -12.392 7.275 -4.805 1.00 0.00 C ATOM 1477 O LYS A 95 -11.950 6.600 -3.876 1.00 0.00 O ATOM 1478 CB LYS A 95 -13.573 6.196 -6.728 1.00 0.00 C ATOM 1479 CG LYS A 95 -13.808 6.356 -8.220 1.00 0.00 C ATOM 1480 CD LYS A 95 -15.193 5.876 -8.621 1.00 0.00 C ATOM 1481 CE LYS A 95 -15.261 5.545 -10.104 1.00 0.00 C ATOM 1482 NZ LYS A 95 -14.865 4.135 -10.377 1.00 0.00 N ATOM 0 H LYS A 95 -11.451 4.865 -6.171 1.00 0.00 H new ATOM 0 HA LYS A 95 -12.003 7.660 -6.871 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -13.590 5.135 -6.478 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -14.395 6.664 -6.187 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -13.690 7.404 -8.497 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -13.054 5.794 -8.770 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -15.456 4.994 -8.038 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -15.928 6.645 -8.385 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -16.274 5.714 -10.468 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -14.607 6.219 -10.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -14.925 3.949 -11.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -13.889 3.980 -10.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -15.505 3.490 -9.870 1.00 0.00 H new ATOM 1496 N GLU A 96 -13.010 8.438 -4.626 1.00 0.00 N ATOM 1497 CA GLU A 96 -13.208 9.000 -3.295 1.00 0.00 C ATOM 1498 C GLU A 96 -13.807 7.962 -2.350 1.00 0.00 C ATOM 1499 O GLU A 96 -13.668 8.063 -1.132 1.00 0.00 O ATOM 1500 CB GLU A 96 -14.119 10.227 -3.366 1.00 0.00 C ATOM 1501 CG GLU A 96 -15.431 9.971 -4.088 1.00 0.00 C ATOM 1502 CD GLU A 96 -16.538 10.902 -3.635 1.00 0.00 C ATOM 1503 OE1 GLU A 96 -16.936 10.820 -2.454 1.00 0.00 O ATOM 1504 OE2 GLU A 96 -17.007 11.713 -4.461 1.00 0.00 O ATOM 0 H GLU A 96 -13.382 9.009 -5.385 1.00 0.00 H new ATOM 0 HA GLU A 96 -12.235 9.301 -2.907 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -14.332 10.570 -2.353 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -13.588 11.034 -3.870 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -15.280 10.088 -5.161 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -15.738 8.939 -3.920 1.00 0.00 H new ATOM 1511 N ASN A 97 -14.476 6.966 -2.922 1.00 0.00 N ATOM 1512 CA ASN A 97 -15.098 5.910 -2.131 1.00 0.00 C ATOM 1513 C ASN A 97 -14.097 4.801 -1.822 1.00 0.00 C ATOM 1514 O ASN A 97 -14.031 3.796 -2.529 1.00 0.00 O ATOM 1515 CB ASN A 97 -16.304 5.332 -2.873 1.00 0.00 C ATOM 1516 CG ASN A 97 -17.129 6.403 -3.560 1.00 0.00 C ATOM 1517 OD1 ASN A 97 -17.729 7.255 -2.905 1.00 0.00 O ATOM 1518 ND2 ASN A 97 -17.162 6.364 -4.887 1.00 0.00 N ATOM 0 H ASN A 97 -14.601 6.868 -3.930 1.00 0.00 H new ATOM 0 HA ASN A 97 -15.434 6.345 -1.189 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -15.959 4.611 -3.615 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -16.934 4.788 -2.169 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -17.700 7.059 -5.404 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -16.649 5.639 -5.389 1.00 0.00 H new ATOM 1525 N MET A 98 -13.321 4.991 -0.760 1.00 0.00 N ATOM 1526 CA MET A 98 -12.325 4.005 -0.355 1.00 0.00 C ATOM 1527 C MET A 98 -11.816 4.294 1.053 1.00 0.00 C ATOM 1528 O MET A 98 -11.186 5.322 1.298 1.00 0.00 O ATOM 1529 CB MET A 98 -11.156 3.997 -1.342 1.00 0.00 C ATOM 1530 CG MET A 98 -10.216 5.181 -1.180 1.00 0.00 C ATOM 1531 SD MET A 98 -11.090 6.757 -1.114 1.00 0.00 S ATOM 1532 CE MET A 98 -10.095 7.646 0.080 1.00 0.00 C ATOM 0 H MET A 98 -13.362 5.818 -0.164 1.00 0.00 H new ATOM 0 HA MET A 98 -12.799 3.023 -0.356 1.00 0.00 H new ATOM 0 HB2 MET A 98 -10.590 3.074 -1.215 1.00 0.00 H new ATOM 0 HB3 MET A 98 -11.549 3.992 -2.359 1.00 0.00 H new ATOM 0 HG2 MET A 98 -9.633 5.055 -0.268 1.00 0.00 H new ATOM 0 HG3 MET A 98 -9.510 5.196 -2.010 1.00 0.00 H new ATOM 0 HE1 MET A 98 -10.030 8.695 -0.209 1.00 0.00 H new ATOM 0 HE2 MET A 98 -10.554 7.569 1.066 1.00 0.00 H new ATOM 0 HE3 MET A 98 -9.094 7.216 0.112 1.00 0.00 H new ATOM 1542 N GLY A 99 -12.093 3.378 1.977 1.00 0.00 N ATOM 1543 CA GLY A 99 -11.656 3.554 3.350 1.00 0.00 C ATOM 1544 C GLY A 99 -10.157 3.746 3.460 1.00 0.00 C ATOM 1545 O GLY A 99 -9.416 2.790 3.694 1.00 0.00 O ATOM 0 H GLY A 99 -12.612 2.518 1.799 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -12.163 4.417 3.782 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -11.952 2.684 3.937 1.00 0.00 H new ATOM 1549 N LEU A 100 -9.707 4.985 3.291 1.00 0.00 N ATOM 1550 CA LEU A 100 -8.285 5.300 3.371 1.00 0.00 C ATOM 1551 C LEU A 100 -8.072 6.752 3.789 1.00 0.00 C ATOM 1552 O LEU A 100 -9.029 7.502 3.975 1.00 0.00 O ATOM 1553 CB LEU A 100 -7.608 5.040 2.025 1.00 0.00 C ATOM 1554 CG LEU A 100 -7.660 3.600 1.514 1.00 0.00 C ATOM 1555 CD1 LEU A 100 -7.218 3.532 0.061 1.00 0.00 C ATOM 1556 CD2 LEU A 100 -6.794 2.695 2.379 1.00 0.00 C ATOM 0 H LEU A 100 -10.306 5.787 3.098 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.837 4.654 4.126 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -8.069 5.686 1.278 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.563 5.339 2.103 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.691 3.251 1.575 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.262 2.499 -0.285 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -7.879 4.147 -0.550 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -6.196 3.901 -0.026 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -6.843 1.674 2.000 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -5.762 3.043 2.350 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.156 2.719 3.407 1.00 0.00 H new ATOM 1568 N VAL A 101 -6.809 7.141 3.933 1.00 0.00 N ATOM 1569 CA VAL A 101 -6.469 8.504 4.324 1.00 0.00 C ATOM 1570 C VAL A 101 -6.776 9.491 3.204 1.00 0.00 C ATOM 1571 O VAL A 101 -7.174 10.629 3.454 1.00 0.00 O ATOM 1572 CB VAL A 101 -4.982 8.624 4.707 1.00 0.00 C ATOM 1573 CG1 VAL A 101 -4.107 7.937 3.670 1.00 0.00 C ATOM 1574 CG2 VAL A 101 -4.589 10.085 4.864 1.00 0.00 C ATOM 0 H VAL A 101 -6.005 6.532 3.785 1.00 0.00 H new ATOM 0 HA VAL A 101 -7.081 8.745 5.193 1.00 0.00 H new ATOM 0 HB VAL A 101 -4.830 8.125 5.664 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -3.060 8.032 3.957 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.373 6.882 3.611 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -4.260 8.404 2.697 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -3.535 10.151 5.135 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -4.756 10.610 3.923 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -5.194 10.542 5.647 1.00 0.00 H new ATOM 1584 N THR A 102 -6.588 9.047 1.964 1.00 0.00 N ATOM 1585 CA THR A 102 -6.843 9.891 0.804 1.00 0.00 C ATOM 1586 C THR A 102 -7.046 9.051 -0.452 1.00 0.00 C ATOM 1587 O THR A 102 -6.494 7.958 -0.576 1.00 0.00 O ATOM 1588 CB THR A 102 -5.689 10.882 0.565 1.00 0.00 C ATOM 1589 OG1 THR A 102 -6.079 11.866 -0.400 1.00 0.00 O ATOM 1590 CG2 THR A 102 -4.443 10.155 0.080 1.00 0.00 C ATOM 0 H THR A 102 -6.260 8.108 1.738 1.00 0.00 H new ATOM 0 HA THR A 102 -7.754 10.451 1.015 1.00 0.00 H new ATOM 0 HB THR A 102 -5.460 11.373 1.511 1.00 0.00 H new ATOM 0 HG1 THR A 102 -5.340 12.493 -0.545 1.00 0.00 H new ATOM 0 HG21 THR A 102 -3.641 10.875 -0.082 1.00 0.00 H new ATOM 0 HG22 THR A 102 -4.131 9.428 0.830 1.00 0.00 H new ATOM 0 HG23 THR A 102 -4.663 9.640 -0.855 1.00 0.00 H new ATOM 1598 N HIS A 103 -7.840 9.570 -1.384 1.00 0.00 N ATOM 1599 CA HIS A 103 -8.114 8.868 -2.632 1.00 0.00 C ATOM 1600 C HIS A 103 -6.904 8.915 -3.559 1.00 0.00 C ATOM 1601 O HIS A 103 -6.427 9.992 -3.920 1.00 0.00 O ATOM 1602 CB HIS A 103 -9.330 9.479 -3.330 1.00 0.00 C ATOM 1603 CG HIS A 103 -9.160 10.928 -3.669 1.00 0.00 C ATOM 1604 ND1 HIS A 103 -9.448 11.947 -2.785 1.00 0.00 N ATOM 1605 CD2 HIS A 103 -8.727 11.527 -4.803 1.00 0.00 C ATOM 1606 CE1 HIS A 103 -9.201 13.109 -3.362 1.00 0.00 C ATOM 1607 NE2 HIS A 103 -8.762 12.882 -4.586 1.00 0.00 N ATOM 0 H HIS A 103 -8.304 10.474 -1.298 1.00 0.00 H new ATOM 0 HA HIS A 103 -8.327 7.826 -2.394 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -9.532 8.922 -4.245 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -10.203 9.365 -2.688 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -8.413 11.031 -5.710 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -9.335 14.080 -2.909 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -8.492 13.597 -5.261 1.00 0.00 H new ATOM 1616 N LEU A 104 -6.410 7.742 -3.941 1.00 0.00 N ATOM 1617 CA LEU A 104 -5.254 7.650 -4.826 1.00 0.00 C ATOM 1618 C LEU A 104 -5.282 8.756 -5.876 1.00 0.00 C ATOM 1619 O LEU A 104 -6.351 9.183 -6.312 1.00 0.00 O ATOM 1620 CB LEU A 104 -5.219 6.282 -5.510 1.00 0.00 C ATOM 1621 CG LEU A 104 -5.653 5.092 -4.654 1.00 0.00 C ATOM 1622 CD1 LEU A 104 -5.375 3.784 -5.379 1.00 0.00 C ATOM 1623 CD2 LEU A 104 -4.946 5.118 -3.307 1.00 0.00 C ATOM 0 H LEU A 104 -6.792 6.842 -3.652 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.355 7.771 -4.222 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.859 6.322 -6.391 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.203 6.100 -5.862 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.726 5.166 -4.480 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.690 2.948 -4.755 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.928 3.764 -6.318 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.308 3.701 -5.584 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.267 4.264 -2.711 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.868 5.069 -3.461 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.196 6.040 -2.783 1.00 0.00 H new ATOM 1635 N GLN A 105 -4.101 9.214 -6.277 1.00 0.00 N ATOM 1636 CA GLN A 105 -3.991 10.269 -7.277 1.00 0.00 C ATOM 1637 C GLN A 105 -2.995 9.885 -8.366 1.00 0.00 C ATOM 1638 O GLN A 105 -3.324 9.893 -9.553 1.00 0.00 O ATOM 1639 CB GLN A 105 -3.563 11.582 -6.618 1.00 0.00 C ATOM 1640 CG GLN A 105 -4.593 12.140 -5.649 1.00 0.00 C ATOM 1641 CD GLN A 105 -4.124 13.410 -4.966 1.00 0.00 C ATOM 1642 OE1 GLN A 105 -3.487 14.262 -5.585 1.00 0.00 O ATOM 1643 NE2 GLN A 105 -4.438 13.542 -3.683 1.00 0.00 N ATOM 0 H GLN A 105 -3.207 8.871 -5.925 1.00 0.00 H new ATOM 0 HA GLN A 105 -4.970 10.403 -7.737 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -2.625 11.423 -6.086 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -3.368 12.322 -7.394 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -5.520 12.342 -6.186 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -4.820 11.388 -4.893 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -4.968 12.810 -3.210 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -4.150 14.375 -3.170 1.00 0.00 H new ATOM 1652 N TYR A 106 -1.777 9.550 -7.956 1.00 0.00 N ATOM 1653 CA TYR A 106 -0.732 9.165 -8.897 1.00 0.00 C ATOM 1654 C TYR A 106 -0.034 7.886 -8.444 1.00 0.00 C ATOM 1655 O TYR A 106 0.567 7.823 -7.372 1.00 0.00 O ATOM 1656 CB TYR A 106 0.291 10.293 -9.044 1.00 0.00 C ATOM 1657 CG TYR A 106 -0.294 11.672 -8.838 1.00 0.00 C ATOM 1658 CD1 TYR A 106 -0.991 12.311 -9.856 1.00 0.00 C ATOM 1659 CD2 TYR A 106 -0.149 12.335 -7.626 1.00 0.00 C ATOM 1660 CE1 TYR A 106 -1.526 13.571 -9.672 1.00 0.00 C ATOM 1661 CE2 TYR A 106 -0.683 13.595 -7.433 1.00 0.00 C ATOM 1662 CZ TYR A 106 -1.370 14.209 -8.459 1.00 0.00 C ATOM 1663 OH TYR A 106 -1.903 15.464 -8.272 1.00 0.00 O ATOM 0 H TYR A 106 -1.489 9.537 -6.978 1.00 0.00 H new ATOM 0 HA TYR A 106 -1.200 8.979 -9.864 1.00 0.00 H new ATOM 0 HB2 TYR A 106 1.096 10.138 -8.326 1.00 0.00 H new ATOM 0 HB3 TYR A 106 0.736 10.241 -10.038 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -1.117 11.814 -10.807 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.390 11.858 -6.821 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -2.064 14.054 -10.474 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -0.563 14.096 -6.484 1.00 0.00 H new ATOM 0 HH TYR A 106 -1.705 15.771 -7.363 1.00 0.00 H new ATOM 1673 N PRO A 107 -0.115 6.842 -9.282 1.00 0.00 N ATOM 1674 CA PRO A 107 0.504 5.545 -8.991 1.00 0.00 C ATOM 1675 C PRO A 107 2.026 5.602 -9.052 1.00 0.00 C ATOM 1676 O PRO A 107 2.624 5.375 -10.103 1.00 0.00 O ATOM 1677 CB PRO A 107 -0.042 4.636 -10.095 1.00 0.00 C ATOM 1678 CG PRO A 107 -0.372 5.560 -11.217 1.00 0.00 C ATOM 1679 CD PRO A 107 -0.815 6.847 -10.577 1.00 0.00 C ATOM 0 HA PRO A 107 0.273 5.200 -7.983 1.00 0.00 H new ATOM 0 HB2 PRO A 107 0.696 3.893 -10.398 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -0.924 4.090 -9.759 1.00 0.00 H new ATOM 0 HG2 PRO A 107 0.495 5.721 -11.858 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -1.160 5.145 -11.845 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -0.538 7.712 -11.180 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -1.897 6.881 -10.449 1.00 0.00 H new ATOM 1687 N VAL A 108 2.648 5.905 -7.917 1.00 0.00 N ATOM 1688 CA VAL A 108 4.102 5.990 -7.841 1.00 0.00 C ATOM 1689 C VAL A 108 4.760 4.852 -8.612 1.00 0.00 C ATOM 1690 O VAL A 108 4.533 3.672 -8.341 1.00 0.00 O ATOM 1691 CB VAL A 108 4.590 5.957 -6.381 1.00 0.00 C ATOM 1692 CG1 VAL A 108 3.910 7.045 -5.565 1.00 0.00 C ATOM 1693 CG2 VAL A 108 4.343 4.587 -5.768 1.00 0.00 C ATOM 0 H VAL A 108 2.168 6.096 -7.038 1.00 0.00 H new ATOM 0 HA VAL A 108 4.388 6.941 -8.290 1.00 0.00 H new ATOM 0 HB VAL A 108 5.663 6.147 -6.371 1.00 0.00 H new ATOM 0 HG11 VAL A 108 4.268 7.006 -4.536 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.143 8.020 -5.993 1.00 0.00 H new ATOM 0 HG13 VAL A 108 2.831 6.890 -5.580 1.00 0.00 H new ATOM 0 HG21 VAL A 108 4.694 4.582 -4.736 1.00 0.00 H new ATOM 0 HG22 VAL A 108 3.276 4.366 -5.790 1.00 0.00 H new ATOM 0 HG23 VAL A 108 4.882 3.831 -6.338 1.00 0.00 H new ATOM 1703 N PRO A 109 5.597 5.210 -9.597 1.00 0.00 N ATOM 1704 CA PRO A 109 6.307 4.233 -10.427 1.00 0.00 C ATOM 1705 C PRO A 109 7.385 3.486 -9.650 1.00 0.00 C ATOM 1706 O PRO A 109 7.715 3.850 -8.520 1.00 0.00 O ATOM 1707 CB PRO A 109 6.937 5.092 -11.526 1.00 0.00 C ATOM 1708 CG PRO A 109 7.079 6.443 -10.915 1.00 0.00 C ATOM 1709 CD PRO A 109 5.915 6.597 -9.975 1.00 0.00 C ATOM 0 HA PRO A 109 5.640 3.457 -10.803 1.00 0.00 H new ATOM 0 HB2 PRO A 109 7.903 4.694 -11.835 1.00 0.00 H new ATOM 0 HB3 PRO A 109 6.306 5.123 -12.414 1.00 0.00 H new ATOM 0 HG2 PRO A 109 8.026 6.533 -10.382 1.00 0.00 H new ATOM 0 HG3 PRO A 109 7.069 7.220 -11.679 1.00 0.00 H new ATOM 0 HD2 PRO A 109 6.177 7.200 -9.106 1.00 0.00 H new ATOM 0 HD3 PRO A 109 5.069 7.086 -10.459 1.00 0.00 H new ATOM 1717 N LEU A 110 7.932 2.441 -10.261 1.00 0.00 N ATOM 1718 CA LEU A 110 8.975 1.643 -9.626 1.00 0.00 C ATOM 1719 C LEU A 110 10.270 2.438 -9.502 1.00 0.00 C ATOM 1720 O LEU A 110 10.389 3.537 -10.044 1.00 0.00 O ATOM 1721 CB LEU A 110 9.223 0.363 -10.426 1.00 0.00 C ATOM 1722 CG LEU A 110 8.185 -0.747 -10.257 1.00 0.00 C ATOM 1723 CD1 LEU A 110 8.441 -1.873 -11.245 1.00 0.00 C ATOM 1724 CD2 LEU A 110 8.195 -1.274 -8.830 1.00 0.00 C ATOM 0 H LEU A 110 7.671 2.126 -11.195 1.00 0.00 H new ATOM 0 HA LEU A 110 8.636 1.378 -8.624 1.00 0.00 H new ATOM 0 HB2 LEU A 110 9.277 0.624 -11.483 1.00 0.00 H new ATOM 0 HB3 LEU A 110 10.199 -0.034 -10.145 1.00 0.00 H new ATOM 0 HG LEU A 110 7.199 -0.330 -10.462 1.00 0.00 H new ATOM 0 HD11 LEU A 110 7.692 -2.653 -11.109 1.00 0.00 H new ATOM 0 HD12 LEU A 110 8.381 -1.485 -12.262 1.00 0.00 H new ATOM 0 HD13 LEU A 110 9.434 -2.289 -11.073 1.00 0.00 H new ATOM 0 HD21 LEU A 110 7.450 -2.063 -8.728 1.00 0.00 H new ATOM 0 HD22 LEU A 110 9.182 -1.674 -8.597 1.00 0.00 H new ATOM 0 HD23 LEU A 110 7.960 -0.463 -8.141 1.00 0.00 H new ATOM 1736 N GLU A 111 11.239 1.875 -8.787 1.00 0.00 N ATOM 1737 CA GLU A 111 12.527 2.532 -8.595 1.00 0.00 C ATOM 1738 C GLU A 111 13.626 1.814 -9.373 1.00 0.00 C ATOM 1739 O GLU A 111 14.222 0.855 -8.883 1.00 0.00 O ATOM 1740 CB GLU A 111 12.885 2.575 -7.108 1.00 0.00 C ATOM 1741 CG GLU A 111 13.800 3.729 -6.735 1.00 0.00 C ATOM 1742 CD GLU A 111 14.653 3.428 -5.518 1.00 0.00 C ATOM 1743 OE1 GLU A 111 14.078 3.109 -4.456 1.00 0.00 O ATOM 1744 OE2 GLU A 111 15.894 3.512 -5.627 1.00 0.00 O ATOM 0 H GLU A 111 11.157 0.966 -8.331 1.00 0.00 H new ATOM 0 HA GLU A 111 12.446 3.551 -8.972 1.00 0.00 H new ATOM 0 HB2 GLU A 111 11.967 2.647 -6.524 1.00 0.00 H new ATOM 0 HB3 GLU A 111 13.366 1.637 -6.832 1.00 0.00 H new ATOM 0 HG2 GLU A 111 14.448 3.961 -7.580 1.00 0.00 H new ATOM 0 HG3 GLU A 111 13.198 4.617 -6.541 1.00 0.00 H new ATOM 1751 N GLU A 112 13.887 2.286 -10.588 1.00 0.00 N ATOM 1752 CA GLU A 112 14.913 1.688 -11.435 1.00 0.00 C ATOM 1753 C GLU A 112 15.697 2.764 -12.181 1.00 0.00 C ATOM 1754 O GLU A 112 15.189 3.378 -13.118 1.00 0.00 O ATOM 1755 CB GLU A 112 14.279 0.718 -12.434 1.00 0.00 C ATOM 1756 CG GLU A 112 13.422 1.401 -13.486 1.00 0.00 C ATOM 1757 CD GLU A 112 12.464 0.445 -14.169 1.00 0.00 C ATOM 1758 OE1 GLU A 112 11.453 0.069 -13.540 1.00 0.00 O ATOM 1759 OE2 GLU A 112 12.726 0.072 -15.332 1.00 0.00 O ATOM 0 H GLU A 112 13.403 3.080 -11.008 1.00 0.00 H new ATOM 0 HA GLU A 112 15.603 1.139 -10.794 1.00 0.00 H new ATOM 0 HB2 GLU A 112 15.068 0.154 -12.931 1.00 0.00 H new ATOM 0 HB3 GLU A 112 13.667 -0.002 -11.890 1.00 0.00 H new ATOM 0 HG2 GLU A 112 12.855 2.207 -13.020 1.00 0.00 H new ATOM 0 HG3 GLU A 112 14.069 1.858 -14.235 1.00 0.00 H new ATOM 1766 N GLU A 113 16.937 2.986 -11.756 1.00 0.00 N ATOM 1767 CA GLU A 113 17.791 3.988 -12.383 1.00 0.00 C ATOM 1768 C GLU A 113 18.742 3.342 -13.386 1.00 0.00 C ATOM 1769 O GLU A 113 18.974 2.134 -13.348 1.00 0.00 O ATOM 1770 CB GLU A 113 18.590 4.746 -11.320 1.00 0.00 C ATOM 1771 CG GLU A 113 19.419 5.889 -11.882 1.00 0.00 C ATOM 1772 CD GLU A 113 19.914 6.834 -10.806 1.00 0.00 C ATOM 1773 OE1 GLU A 113 20.610 6.368 -9.880 1.00 0.00 O ATOM 1774 OE2 GLU A 113 19.605 8.042 -10.890 1.00 0.00 O ATOM 0 H GLU A 113 17.372 2.486 -10.981 1.00 0.00 H new ATOM 0 HA GLU A 113 17.151 4.691 -12.917 1.00 0.00 H new ATOM 0 HB2 GLU A 113 17.902 5.141 -10.573 1.00 0.00 H new ATOM 0 HB3 GLU A 113 19.251 4.047 -10.807 1.00 0.00 H new ATOM 0 HG2 GLU A 113 20.273 5.482 -12.423 1.00 0.00 H new ATOM 0 HG3 GLU A 113 18.821 6.446 -12.603 1.00 0.00 H new ATOM 1781 N ASP A 114 19.288 4.156 -14.283 1.00 0.00 N ATOM 1782 CA ASP A 114 20.214 3.665 -15.297 1.00 0.00 C ATOM 1783 C ASP A 114 21.530 4.434 -15.248 1.00 0.00 C ATOM 1784 O ASP A 114 21.570 5.594 -14.836 1.00 0.00 O ATOM 1785 CB ASP A 114 19.590 3.786 -16.689 1.00 0.00 C ATOM 1786 CG ASP A 114 19.568 5.216 -17.192 1.00 0.00 C ATOM 1787 OD1 ASP A 114 18.826 6.036 -16.613 1.00 0.00 O ATOM 1788 OD2 ASP A 114 20.293 5.514 -18.164 1.00 0.00 O ATOM 0 H ASP A 114 19.105 5.158 -14.329 1.00 0.00 H new ATOM 0 HA ASP A 114 20.419 2.615 -15.089 1.00 0.00 H new ATOM 0 HB2 ASP A 114 20.149 3.166 -17.390 1.00 0.00 H new ATOM 0 HB3 ASP A 114 18.572 3.398 -16.662 1.00 0.00 H new ATOM 1793 N THR A 115 22.608 3.780 -15.670 1.00 0.00 N ATOM 1794 CA THR A 115 23.927 4.400 -15.673 1.00 0.00 C ATOM 1795 C THR A 115 23.901 5.743 -16.393 1.00 0.00 C ATOM 1796 O THR A 115 24.413 6.741 -15.885 1.00 0.00 O ATOM 1797 CB THR A 115 24.974 3.491 -16.343 1.00 0.00 C ATOM 1798 OG1 THR A 115 25.022 2.224 -15.676 1.00 0.00 O ATOM 1799 CG2 THR A 115 26.350 4.138 -16.313 1.00 0.00 C ATOM 0 H THR A 115 22.593 2.820 -16.014 1.00 0.00 H new ATOM 0 HA THR A 115 24.206 4.555 -14.631 1.00 0.00 H new ATOM 0 HB THR A 115 24.682 3.343 -17.383 1.00 0.00 H new ATOM 0 HG1 THR A 115 25.689 1.651 -16.109 1.00 0.00 H new ATOM 0 HG21 THR A 115 27.073 3.478 -16.792 1.00 0.00 H new ATOM 0 HG22 THR A 115 26.317 5.088 -16.847 1.00 0.00 H new ATOM 0 HG23 THR A 115 26.647 4.313 -15.279 1.00 0.00 H new ATOM 1807 N GLY A 116 23.302 5.763 -17.579 1.00 0.00 N ATOM 1808 CA GLY A 116 23.220 6.990 -18.350 1.00 0.00 C ATOM 1809 C GLY A 116 22.381 6.834 -19.602 1.00 0.00 C ATOM 1810 O GLY A 116 21.443 7.599 -19.828 1.00 0.00 O ATOM 0 H GLY A 116 22.871 4.951 -18.021 1.00 0.00 H new ATOM 0 HA2 GLY A 116 22.796 7.778 -17.728 1.00 0.00 H new ATOM 0 HA3 GLY A 116 24.225 7.309 -18.627 1.00 0.00 H new ATOM 1814 N ASP A 117 22.718 5.842 -20.418 1.00 0.00 N ATOM 1815 CA ASP A 117 21.988 5.588 -21.655 1.00 0.00 C ATOM 1816 C ASP A 117 22.086 4.119 -22.052 1.00 0.00 C ATOM 1817 O ASP A 117 23.010 3.415 -21.645 1.00 0.00 O ATOM 1818 CB ASP A 117 22.529 6.471 -22.781 1.00 0.00 C ATOM 1819 CG ASP A 117 24.039 6.598 -22.743 1.00 0.00 C ATOM 1820 OD1 ASP A 117 24.546 7.405 -21.936 1.00 0.00 O ATOM 1821 OD2 ASP A 117 24.713 5.890 -23.519 1.00 0.00 O ATOM 0 H ASP A 117 23.492 5.200 -20.246 1.00 0.00 H new ATOM 0 HA ASP A 117 20.939 5.830 -21.486 1.00 0.00 H new ATOM 0 HB2 ASP A 117 22.226 6.055 -23.742 1.00 0.00 H new ATOM 0 HB3 ASP A 117 22.082 7.462 -22.708 1.00 0.00 H new ATOM 1826 N ASP A 118 21.126 3.661 -22.849 1.00 0.00 N ATOM 1827 CA ASP A 118 21.104 2.275 -23.301 1.00 0.00 C ATOM 1828 C ASP A 118 20.103 2.090 -24.438 1.00 0.00 C ATOM 1829 O ASP A 118 18.929 2.442 -24.326 1.00 0.00 O ATOM 1830 CB ASP A 118 20.754 1.343 -22.140 1.00 0.00 C ATOM 1831 CG ASP A 118 19.283 1.397 -21.777 1.00 0.00 C ATOM 1832 OD1 ASP A 118 18.742 2.516 -21.659 1.00 0.00 O ATOM 1833 OD2 ASP A 118 18.673 0.320 -21.610 1.00 0.00 O ATOM 0 H ASP A 118 20.353 4.230 -23.195 1.00 0.00 H new ATOM 0 HA ASP A 118 22.098 2.024 -23.671 1.00 0.00 H new ATOM 0 HB2 ASP A 118 21.022 0.320 -22.405 1.00 0.00 H new ATOM 0 HB3 ASP A 118 21.350 1.613 -21.269 1.00 0.00 H new ATOM 1838 N PRO A 119 20.577 1.526 -25.558 1.00 0.00 N ATOM 1839 CA PRO A 119 19.740 1.282 -26.737 1.00 0.00 C ATOM 1840 C PRO A 119 18.712 0.181 -26.500 1.00 0.00 C ATOM 1841 O PRO A 119 17.888 -0.109 -27.368 1.00 0.00 O ATOM 1842 CB PRO A 119 20.749 0.851 -27.805 1.00 0.00 C ATOM 1843 CG PRO A 119 21.897 0.291 -27.038 1.00 0.00 C ATOM 1844 CD PRO A 119 21.966 1.081 -25.760 1.00 0.00 C ATOM 0 HA PRO A 119 19.157 2.161 -27.012 1.00 0.00 H new ATOM 0 HB2 PRO A 119 20.321 0.107 -28.477 1.00 0.00 H new ATOM 0 HB3 PRO A 119 21.059 1.695 -28.421 1.00 0.00 H new ATOM 0 HG2 PRO A 119 21.750 -0.770 -26.834 1.00 0.00 H new ATOM 0 HG3 PRO A 119 22.825 0.381 -27.603 1.00 0.00 H new ATOM 0 HD2 PRO A 119 22.317 0.470 -24.928 1.00 0.00 H new ATOM 0 HD3 PRO A 119 22.650 1.925 -25.846 1.00 0.00 H new TER 1852 PRO A 119