USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 667 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 13 ASN : amide:sc= -2.16 K(o=-1.6,f=-8.1!) USER MOD Set 1.2: A 14 THR OG1 : rot 61:sc= 0.574 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 139:sc= 0.295 (180deg=-1.36) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.139 USER MOD Single : A 11 ASN : amide:sc= -0.048 K(o=-0.048,f=-1.9!) USER MOD Single : A 12 HIS : no HD1:sc= -2.71! C(o=-2.7!,f=-4.8!) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -4.65! C(o=-4.6!,f=-4.7!) USER MOD Single : A 26 ASN : amide:sc= 0.325 K(o=0.33,f=-0.92) USER MOD Single : A 27 SER OG : rot 180:sc= -0.486 USER MOD Single : A 29 THR OG1 : rot -23:sc= 0.0928! USER MOD Single : A 30 THR OG1 : rot 73:sc= 0.745 USER MOD Single : A 31 TYR OH : rot 180:sc= -0.202 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 38 GLN : amide:sc= -2.95! C(o=-3!,f=-7.8!) USER MOD Single : A 43 ASN : amide:sc= -1.26 K(o=-1.3,f=-4.1!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 102:sc= 0.035 USER MOD Single : A 56 TYR OH : rot 104:sc= 0.131 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -140:sc= -2.99! (180deg=-6.29!) USER MOD Single : A 68 ASN : amide:sc= -0.931 K(o=-0.93,f=-2!) USER MOD Single : A 70 ASN : amide:sc= -5.28! K(o=-5.3!,f=-1.6) USER MOD Single : A 72 ASN : amide:sc= -2.01 K(o=-2,f=0.11) USER MOD Single : A 77 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 80 ASN : amide:sc= -3.09! K(o=-3.1!,f=-1.5) USER MOD Single : A 81 THR OG1 : rot -70:sc= -0.378 USER MOD Single : A 84 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.112) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -0.0102 K(o=-0.01,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.189 0.772 -0.657 1.00 1.00 N ATOM 2 CA MET A 1 3.327 0.543 -1.592 1.00 1.00 C ATOM 3 C MET A 1 3.859 1.882 -2.076 1.00 1.00 C ATOM 4 O MET A 1 4.229 2.032 -3.242 1.00 1.00 O ATOM 5 CB MET A 1 2.847 -0.289 -2.784 1.00 1.00 C ATOM 6 CG MET A 1 1.606 0.365 -3.400 1.00 1.00 C ATOM 7 SD MET A 1 1.024 -0.637 -4.792 1.00 1.00 S ATOM 8 CE MET A 1 -0.090 -1.714 -3.855 1.00 1.00 C ATOM 0 H1 MET A 1 1.438 0.078 -0.848 1.00 1.00 H new ATOM 0 H2 MET A 1 2.518 0.665 0.324 1.00 1.00 H new ATOM 0 H3 MET A 1 1.816 1.733 -0.793 1.00 1.00 H new ATOM 0 HA MET A 1 4.123 0.005 -1.077 1.00 1.00 H new ATOM 0 HB2 MET A 1 3.638 -0.365 -3.530 1.00 1.00 H new ATOM 0 HB3 MET A 1 2.614 -1.304 -2.462 1.00 1.00 H new ATOM 0 HG2 MET A 1 0.820 0.457 -2.650 1.00 1.00 H new ATOM 0 HG3 MET A 1 1.843 1.374 -3.738 1.00 1.00 H new ATOM 0 HE1 MET A 1 -0.565 -2.424 -4.532 1.00 1.00 H new ATOM 0 HE2 MET A 1 0.479 -2.257 -3.100 1.00 1.00 H new ATOM 0 HE3 MET A 1 -0.856 -1.110 -3.368 1.00 1.00 H new ATOM 20 N GLU A 2 3.888 2.861 -1.176 1.00 1.00 N ATOM 21 CA GLU A 2 4.373 4.200 -1.527 1.00 1.00 C ATOM 22 C GLU A 2 4.996 4.873 -0.319 1.00 1.00 C ATOM 23 O GLU A 2 4.494 4.753 0.796 1.00 1.00 O ATOM 24 CB GLU A 2 3.222 5.056 -2.057 1.00 1.00 C ATOM 25 CG GLU A 2 3.755 6.424 -2.493 1.00 1.00 C ATOM 26 CD GLU A 2 2.651 7.226 -3.170 1.00 1.00 C ATOM 27 OE1 GLU A 2 1.662 6.626 -3.559 1.00 1.00 O ATOM 28 OE2 GLU A 2 2.813 8.428 -3.298 1.00 1.00 O ATOM 0 H GLU A 2 3.586 2.758 -0.207 1.00 1.00 H new ATOM 0 HA GLU A 2 5.131 4.098 -2.304 1.00 1.00 H new ATOM 0 HB2 GLU A 2 2.742 4.557 -2.899 1.00 1.00 H new ATOM 0 HB3 GLU A 2 2.463 5.180 -1.285 1.00 1.00 H new ATOM 0 HG2 GLU A 2 4.132 6.969 -1.627 1.00 1.00 H new ATOM 0 HG3 GLU A 2 4.593 6.295 -3.178 1.00 1.00 H new ATOM 35 N ILE A 3 6.105 5.578 -0.542 1.00 1.00 N ATOM 36 CA ILE A 3 6.794 6.248 0.555 1.00 1.00 C ATOM 37 C ILE A 3 5.824 7.111 1.358 1.00 1.00 C ATOM 38 O ILE A 3 5.242 8.057 0.840 1.00 1.00 O ATOM 39 CB ILE A 3 7.912 7.138 -0.006 1.00 1.00 C ATOM 40 CG1 ILE A 3 8.944 6.263 -0.728 1.00 1.00 C ATOM 41 CG2 ILE A 3 8.600 7.898 1.147 1.00 1.00 C ATOM 42 CD1 ILE A 3 9.961 7.153 -1.443 1.00 1.00 C ATOM 0 H ILE A 3 6.538 5.698 -1.458 1.00 1.00 H new ATOM 0 HA ILE A 3 7.215 5.487 1.212 1.00 1.00 H new ATOM 0 HB ILE A 3 7.486 7.856 -0.707 1.00 1.00 H new ATOM 0 HG12 ILE A 3 9.451 5.616 -0.012 1.00 1.00 H new ATOM 0 HG13 ILE A 3 8.445 5.613 -1.447 1.00 1.00 H new ATOM 0 HG21 ILE A 3 9.393 8.529 0.745 1.00 1.00 H new ATOM 0 HG22 ILE A 3 7.867 8.520 1.661 1.00 1.00 H new ATOM 0 HG23 ILE A 3 9.027 7.183 1.851 1.00 1.00 H new ATOM 0 HD11 ILE A 3 10.694 6.529 -1.955 1.00 1.00 H new ATOM 0 HD12 ILE A 3 9.447 7.781 -2.170 1.00 1.00 H new ATOM 0 HD13 ILE A 3 10.469 7.784 -0.713 1.00 1.00 H new ATOM 54 N ILE A 4 5.677 6.772 2.628 1.00 1.00 N ATOM 55 CA ILE A 4 4.782 7.521 3.517 1.00 1.00 C ATOM 56 C ILE A 4 5.558 8.609 4.241 1.00 1.00 C ATOM 57 O ILE A 4 5.021 9.681 4.519 1.00 1.00 O ATOM 58 CB ILE A 4 4.126 6.585 4.529 1.00 1.00 C ATOM 59 CG1 ILE A 4 3.318 5.510 3.782 1.00 1.00 C ATOM 60 CG2 ILE A 4 3.179 7.386 5.438 1.00 1.00 C ATOM 61 CD1 ILE A 4 2.683 4.534 4.788 1.00 1.00 C ATOM 0 H ILE A 4 6.159 5.990 3.071 1.00 1.00 H new ATOM 0 HA ILE A 4 4.000 7.982 2.914 1.00 1.00 H new ATOM 0 HB ILE A 4 4.899 6.112 5.135 1.00 1.00 H new ATOM 0 HG12 ILE A 4 2.541 5.981 3.180 1.00 1.00 H new ATOM 0 HG13 ILE A 4 3.968 4.966 3.096 1.00 1.00 H new ATOM 0 HG21 ILE A 4 2.713 6.715 6.159 1.00 1.00 H new ATOM 0 HG22 ILE A 4 3.745 8.152 5.968 1.00 1.00 H new ATOM 0 HG23 ILE A 4 2.407 7.860 4.832 1.00 1.00 H new ATOM 0 HD11 ILE A 4 2.113 3.777 4.250 1.00 1.00 H new ATOM 0 HD12 ILE A 4 3.467 4.052 5.371 1.00 1.00 H new ATOM 0 HD13 ILE A 4 2.018 5.082 5.456 1.00 1.00 H new ATOM 73 N ALA A 5 6.810 8.315 4.572 1.00 1.00 N ATOM 74 CA ALA A 5 7.638 9.273 5.294 1.00 1.00 C ATOM 75 C ALA A 5 9.056 8.746 5.427 1.00 1.00 C ATOM 76 O ALA A 5 9.276 7.535 5.467 1.00 1.00 O ATOM 77 CB ALA A 5 7.058 9.518 6.693 1.00 1.00 C ATOM 0 H ALA A 5 7.270 7.431 4.355 1.00 1.00 H new ATOM 0 HA ALA A 5 7.652 10.209 4.735 1.00 1.00 H new ATOM 0 HB1 ALA A 5 7.683 10.235 7.225 1.00 1.00 H new ATOM 0 HB2 ALA A 5 6.047 9.914 6.603 1.00 1.00 H new ATOM 0 HB3 ALA A 5 7.032 8.579 7.246 1.00 1.00 H new ATOM 83 N ILE A 6 10.020 9.662 5.509 1.00 1.00 N ATOM 84 CA ILE A 6 11.429 9.283 5.648 1.00 1.00 C ATOM 85 C ILE A 6 11.896 9.580 7.057 1.00 1.00 C ATOM 86 O ILE A 6 11.782 10.709 7.538 1.00 1.00 O ATOM 87 CB ILE A 6 12.283 10.058 4.644 1.00 1.00 C ATOM 88 CG1 ILE A 6 11.780 9.764 3.221 1.00 1.00 C ATOM 89 CG2 ILE A 6 13.748 9.611 4.771 1.00 1.00 C ATOM 90 CD1 ILE A 6 12.466 10.709 2.233 1.00 1.00 C ATOM 0 H ILE A 6 9.854 10.668 5.482 1.00 1.00 H new ATOM 0 HA ILE A 6 11.534 8.216 5.449 1.00 1.00 H new ATOM 0 HB ILE A 6 12.210 11.127 4.845 1.00 1.00 H new ATOM 0 HG12 ILE A 6 11.991 8.728 2.956 1.00 1.00 H new ATOM 0 HG13 ILE A 6 10.699 9.892 3.172 1.00 1.00 H new ATOM 0 HG21 ILE A 6 14.360 10.162 4.056 1.00 1.00 H new ATOM 0 HG22 ILE A 6 14.103 9.811 5.782 1.00 1.00 H new ATOM 0 HG23 ILE A 6 13.822 8.543 4.565 1.00 1.00 H new ATOM 0 HD11 ILE A 6 12.110 10.501 1.224 1.00 1.00 H new ATOM 0 HD12 ILE A 6 12.233 11.741 2.495 1.00 1.00 H new ATOM 0 HD13 ILE A 6 13.545 10.559 2.275 1.00 1.00 H new ATOM 102 N SER A 7 12.451 8.565 7.723 1.00 1.00 N ATOM 103 CA SER A 7 12.958 8.729 9.092 1.00 1.00 C ATOM 104 C SER A 7 14.485 8.726 9.099 1.00 1.00 C ATOM 105 O SER A 7 15.118 7.723 8.772 1.00 1.00 O ATOM 106 CB SER A 7 12.429 7.588 9.972 1.00 1.00 C ATOM 107 OG SER A 7 11.126 7.923 10.432 1.00 1.00 O ATOM 0 H SER A 7 12.562 7.625 7.342 1.00 1.00 H new ATOM 0 HA SER A 7 12.612 9.684 9.487 1.00 1.00 H new ATOM 0 HB2 SER A 7 12.400 6.658 9.405 1.00 1.00 H new ATOM 0 HB3 SER A 7 13.096 7.425 10.818 1.00 1.00 H new ATOM 0 HG SER A 7 10.781 7.198 10.994 1.00 1.00 H new ATOM 113 N GLU A 8 15.065 9.846 9.510 1.00 1.00 N ATOM 114 CA GLU A 8 16.512 9.967 9.593 1.00 1.00 C ATOM 115 C GLU A 8 17.042 9.166 10.758 1.00 1.00 C ATOM 116 O GLU A 8 16.386 9.042 11.793 1.00 1.00 O ATOM 117 CB GLU A 8 16.913 11.428 9.763 1.00 1.00 C ATOM 118 CG GLU A 8 16.206 12.014 10.987 1.00 1.00 C ATOM 119 CD GLU A 8 16.562 13.488 11.138 1.00 1.00 C ATOM 120 OE1 GLU A 8 17.707 13.830 10.894 1.00 1.00 O ATOM 121 OE2 GLU A 8 15.681 14.255 11.491 1.00 1.00 O ATOM 0 H GLU A 8 14.554 10.683 9.791 1.00 1.00 H new ATOM 0 HA GLU A 8 16.939 9.581 8.667 1.00 1.00 H new ATOM 0 HB2 GLU A 8 17.994 11.508 9.882 1.00 1.00 H new ATOM 0 HB3 GLU A 8 16.647 11.995 8.871 1.00 1.00 H new ATOM 0 HG2 GLU A 8 15.127 11.901 10.883 1.00 1.00 H new ATOM 0 HG3 GLU A 8 16.499 11.467 11.883 1.00 1.00 H new ATOM 128 N THR A 9 18.237 8.603 10.591 1.00 1.00 N ATOM 129 CA THR A 9 18.849 7.791 11.637 1.00 1.00 C ATOM 130 C THR A 9 20.204 8.375 12.037 1.00 1.00 C ATOM 131 O THR A 9 20.745 9.238 11.347 1.00 1.00 O ATOM 132 CB THR A 9 19.033 6.326 11.144 1.00 1.00 C ATOM 133 OG1 THR A 9 20.419 5.982 11.148 1.00 1.00 O ATOM 134 CG2 THR A 9 18.490 6.182 9.729 1.00 1.00 C ATOM 0 H THR A 9 18.798 8.694 9.744 1.00 1.00 H new ATOM 0 HA THR A 9 18.191 7.794 12.506 1.00 1.00 H new ATOM 0 HB THR A 9 18.488 5.661 11.814 1.00 1.00 H new ATOM 0 HG1 THR A 9 20.528 5.059 10.838 1.00 1.00 H new ATOM 0 HG21 THR A 9 18.622 5.154 9.391 1.00 1.00 H new ATOM 0 HG22 THR A 9 17.429 6.433 9.719 1.00 1.00 H new ATOM 0 HG23 THR A 9 19.029 6.855 9.062 1.00 1.00 H new ATOM 142 N PRO A 10 20.772 7.891 13.119 1.00 1.00 N ATOM 143 CA PRO A 10 22.098 8.364 13.606 1.00 1.00 C ATOM 144 C PRO A 10 23.144 8.375 12.502 1.00 1.00 C ATOM 145 O PRO A 10 24.259 8.866 12.694 1.00 1.00 O ATOM 146 CB PRO A 10 22.477 7.342 14.696 1.00 1.00 C ATOM 147 CG PRO A 10 21.170 6.792 15.189 1.00 1.00 C ATOM 148 CD PRO A 10 20.209 6.842 14.001 1.00 1.00 C ATOM 0 HA PRO A 10 22.052 9.390 13.971 1.00 1.00 H new ATOM 0 HB2 PRO A 10 23.110 6.552 14.292 1.00 1.00 H new ATOM 0 HB3 PRO A 10 23.035 7.816 15.504 1.00 1.00 H new ATOM 0 HG2 PRO A 10 21.289 5.770 15.550 1.00 1.00 H new ATOM 0 HG3 PRO A 10 20.789 7.382 16.022 1.00 1.00 H new ATOM 0 HD2 PRO A 10 20.156 5.880 13.491 1.00 1.00 H new ATOM 0 HD3 PRO A 10 19.196 7.091 14.319 1.00 1.00 H new ATOM 156 N ASN A 11 22.794 7.826 11.337 1.00 1.00 N ATOM 157 CA ASN A 11 23.721 7.781 10.214 1.00 1.00 C ATOM 158 C ASN A 11 23.520 8.995 9.324 1.00 1.00 C ATOM 159 O ASN A 11 22.610 9.796 9.538 1.00 1.00 O ATOM 160 CB ASN A 11 23.476 6.508 9.400 1.00 1.00 C ATOM 161 CG ASN A 11 23.917 5.287 10.196 1.00 1.00 C ATOM 162 OD1 ASN A 11 24.702 5.414 11.137 1.00 1.00 O ATOM 163 ND2 ASN A 11 23.461 4.109 9.877 1.00 1.00 N ATOM 0 H ASN A 11 21.881 7.410 11.151 1.00 1.00 H new ATOM 0 HA ASN A 11 24.742 7.782 10.595 1.00 1.00 H new ATOM 0 HB2 ASN A 11 22.419 6.426 9.148 1.00 1.00 H new ATOM 0 HB3 ASN A 11 24.025 6.557 8.460 1.00 1.00 H new ATOM 0 HD21 ASN A 11 23.754 3.288 10.407 1.00 1.00 H new ATOM 0 HD22 ASN A 11 22.811 4.008 9.097 1.00 1.00 H new ATOM 170 N HIS A 12 24.394 9.138 8.326 1.00 1.00 N ATOM 171 CA HIS A 12 24.324 10.272 7.394 1.00 1.00 C ATOM 172 C HIS A 12 23.976 9.811 5.986 1.00 1.00 C ATOM 173 O HIS A 12 23.029 10.308 5.377 1.00 1.00 O ATOM 174 CB HIS A 12 25.667 11.002 7.380 1.00 1.00 C ATOM 175 CG HIS A 12 26.752 10.064 6.929 1.00 1.00 C ATOM 176 ND1 HIS A 12 27.224 9.041 7.733 1.00 1.00 N ATOM 177 CD2 HIS A 12 27.459 9.978 5.756 1.00 1.00 C ATOM 178 CE1 HIS A 12 28.173 8.386 7.041 1.00 1.00 C ATOM 179 NE2 HIS A 12 28.357 8.917 5.829 1.00 1.00 N ATOM 0 H HIS A 12 25.157 8.487 8.140 1.00 1.00 H new ATOM 0 HA HIS A 12 23.537 10.946 7.733 1.00 1.00 H new ATOM 0 HB2 HIS A 12 25.617 11.862 6.713 1.00 1.00 H new ATOM 0 HB3 HIS A 12 25.894 11.384 8.375 1.00 1.00 H new ATOM 0 HD2 HIS A 12 27.337 10.633 4.906 1.00 1.00 H new ATOM 0 HE1 HIS A 12 28.720 7.535 7.419 1.00 1.00 H new ATOM 0 HE2 HIS A 12 29.014 8.611 5.112 1.00 1.00 H new ATOM 188 N ASN A 13 24.770 8.879 5.461 1.00 1.00 N ATOM 189 CA ASN A 13 24.566 8.382 4.102 1.00 1.00 C ATOM 190 C ASN A 13 23.499 7.308 4.075 1.00 1.00 C ATOM 191 O ASN A 13 23.235 6.722 3.027 1.00 1.00 O ATOM 192 CB ASN A 13 25.874 7.820 3.550 1.00 1.00 C ATOM 193 CG ASN A 13 26.353 6.659 4.415 1.00 1.00 C ATOM 194 OD1 ASN A 13 25.649 6.240 5.334 1.00 1.00 O ATOM 195 ND2 ASN A 13 27.511 6.110 4.173 1.00 1.00 N ATOM 0 H ASN A 13 25.556 8.455 5.953 1.00 1.00 H new ATOM 0 HA ASN A 13 24.237 9.215 3.480 1.00 1.00 H new ATOM 0 HB2 ASN A 13 25.729 7.483 2.523 1.00 1.00 H new ATOM 0 HB3 ASN A 13 26.633 8.602 3.525 1.00 1.00 H new ATOM 0 HD21 ASN A 13 27.836 5.331 4.746 1.00 1.00 H new ATOM 0 HD22 ASN A 13 28.092 6.460 3.411 1.00 1.00 H new ATOM 202 N THR A 14 22.887 7.054 5.229 1.00 1.00 N ATOM 203 CA THR A 14 21.835 6.039 5.333 1.00 1.00 C ATOM 204 C THR A 14 20.574 6.657 5.899 1.00 1.00 C ATOM 205 O THR A 14 20.624 7.545 6.751 1.00 1.00 O ATOM 206 CB THR A 14 22.301 4.884 6.220 1.00 1.00 C ATOM 207 OG1 THR A 14 23.456 4.287 5.649 1.00 1.00 O ATOM 208 CG2 THR A 14 21.185 3.840 6.338 1.00 1.00 C ATOM 0 H THR A 14 23.098 7.534 6.104 1.00 1.00 H new ATOM 0 HA THR A 14 21.621 5.650 4.338 1.00 1.00 H new ATOM 0 HB THR A 14 22.542 5.264 7.213 1.00 1.00 H new ATOM 0 HG1 THR A 14 24.172 4.953 5.587 1.00 1.00 H new ATOM 0 HG21 THR A 14 21.521 3.018 6.971 1.00 1.00 H new ATOM 0 HG22 THR A 14 20.301 4.300 6.780 1.00 1.00 H new ATOM 0 HG23 THR A 14 20.938 3.458 5.348 1.00 1.00 H new ATOM 216 N MET A 15 19.424 6.170 5.432 1.00 1.00 N ATOM 217 CA MET A 15 18.135 6.674 5.908 1.00 1.00 C ATOM 218 C MET A 15 17.111 5.555 5.970 1.00 1.00 C ATOM 219 O MET A 15 17.189 4.586 5.218 1.00 1.00 O ATOM 220 CB MET A 15 17.633 7.804 4.977 1.00 1.00 C ATOM 221 CG MET A 15 17.173 9.004 5.805 1.00 1.00 C ATOM 222 SD MET A 15 18.623 9.796 6.553 1.00 1.00 S ATOM 223 CE MET A 15 18.986 10.939 5.204 1.00 1.00 C ATOM 0 H MET A 15 19.358 5.433 4.730 1.00 1.00 H new ATOM 0 HA MET A 15 18.269 7.073 6.914 1.00 1.00 H new ATOM 0 HB2 MET A 15 18.430 8.106 4.297 1.00 1.00 H new ATOM 0 HB3 MET A 15 16.810 7.440 4.362 1.00 1.00 H new ATOM 0 HG2 MET A 15 16.640 9.715 5.174 1.00 1.00 H new ATOM 0 HG3 MET A 15 16.478 8.682 6.580 1.00 1.00 H new ATOM 0 HE1 MET A 15 19.861 11.537 5.459 1.00 1.00 H new ATOM 0 HE2 MET A 15 19.186 10.375 4.293 1.00 1.00 H new ATOM 0 HE3 MET A 15 18.131 11.596 5.044 1.00 1.00 H new ATOM 233 N LYS A 16 16.122 5.717 6.851 1.00 1.00 N ATOM 234 CA LYS A 16 15.059 4.721 6.987 1.00 1.00 C ATOM 235 C LYS A 16 13.804 5.197 6.273 1.00 1.00 C ATOM 236 O LYS A 16 13.277 6.272 6.576 1.00 1.00 O ATOM 237 CB LYS A 16 14.754 4.495 8.464 1.00 1.00 C ATOM 238 CG LYS A 16 13.892 3.238 8.625 1.00 1.00 C ATOM 239 CD LYS A 16 13.417 3.121 10.077 1.00 1.00 C ATOM 240 CE LYS A 16 14.616 2.865 11.005 1.00 1.00 C ATOM 241 NZ LYS A 16 14.128 2.373 12.315 1.00 1.00 N ATOM 0 H LYS A 16 16.035 6.520 7.475 1.00 1.00 H new ATOM 0 HA LYS A 16 15.390 3.785 6.538 1.00 1.00 H new ATOM 0 HB2 LYS A 16 15.682 4.386 9.025 1.00 1.00 H new ATOM 0 HB3 LYS A 16 14.233 5.360 8.875 1.00 1.00 H new ATOM 0 HG2 LYS A 16 13.034 3.285 7.954 1.00 1.00 H new ATOM 0 HG3 LYS A 16 14.466 2.354 8.347 1.00 1.00 H new ATOM 0 HD2 LYS A 16 12.905 4.036 10.375 1.00 1.00 H new ATOM 0 HD3 LYS A 16 12.696 2.308 10.168 1.00 1.00 H new ATOM 0 HE2 LYS A 16 15.287 2.133 10.556 1.00 1.00 H new ATOM 0 HE3 LYS A 16 15.189 3.783 11.139 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 14.938 2.199 12.944 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 13.504 3.086 12.743 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 13.600 1.488 12.178 1.00 1.00 H new ATOM 255 N VAL A 17 13.307 4.381 5.342 1.00 1.00 N ATOM 256 CA VAL A 17 12.092 4.726 4.599 1.00 1.00 C ATOM 257 C VAL A 17 10.917 3.920 5.122 1.00 1.00 C ATOM 258 O VAL A 17 10.800 2.724 4.853 1.00 1.00 O ATOM 259 CB VAL A 17 12.298 4.444 3.114 1.00 1.00 C ATOM 260 CG1 VAL A 17 11.011 4.760 2.342 1.00 1.00 C ATOM 261 CG2 VAL A 17 13.432 5.325 2.586 1.00 1.00 C ATOM 0 H VAL A 17 13.721 3.485 5.086 1.00 1.00 H new ATOM 0 HA VAL A 17 11.880 5.787 4.735 1.00 1.00 H new ATOM 0 HB VAL A 17 12.551 3.393 2.978 1.00 1.00 H new ATOM 0 HG11 VAL A 17 11.163 4.557 1.282 1.00 1.00 H new ATOM 0 HG12 VAL A 17 10.199 4.137 2.718 1.00 1.00 H new ATOM 0 HG13 VAL A 17 10.754 5.811 2.477 1.00 1.00 H new ATOM 0 HG21 VAL A 17 13.583 5.127 1.525 1.00 1.00 H new ATOM 0 HG22 VAL A 17 13.173 6.374 2.726 1.00 1.00 H new ATOM 0 HG23 VAL A 17 14.350 5.102 3.131 1.00 1.00 H new ATOM 271 N SER A 18 10.022 4.579 5.860 1.00 1.00 N ATOM 272 CA SER A 18 8.841 3.913 6.401 1.00 1.00 C ATOM 273 C SER A 18 7.683 3.979 5.399 1.00 1.00 C ATOM 274 O SER A 18 7.403 5.031 4.832 1.00 1.00 O ATOM 275 CB SER A 18 8.431 4.600 7.715 1.00 1.00 C ATOM 276 OG SER A 18 9.596 4.993 8.420 1.00 1.00 O ATOM 0 H SER A 18 10.094 5.569 6.095 1.00 1.00 H new ATOM 0 HA SER A 18 9.077 2.866 6.589 1.00 1.00 H new ATOM 0 HB2 SER A 18 7.808 5.469 7.505 1.00 1.00 H new ATOM 0 HB3 SER A 18 7.835 3.920 8.324 1.00 1.00 H new ATOM 0 HG SER A 18 9.339 5.433 9.257 1.00 1.00 H new ATOM 282 N LEU A 19 7.019 2.857 5.209 1.00 1.00 N ATOM 283 CA LEU A 19 5.897 2.783 4.283 1.00 1.00 C ATOM 284 C LEU A 19 5.158 1.460 4.424 1.00 1.00 C ATOM 285 O LEU A 19 5.717 0.477 4.915 1.00 1.00 O ATOM 286 CB LEU A 19 6.402 2.955 2.838 1.00 1.00 C ATOM 287 CG LEU A 19 7.173 1.700 2.386 1.00 1.00 C ATOM 288 CD1 LEU A 19 7.667 1.883 0.958 1.00 1.00 C ATOM 289 CD2 LEU A 19 8.366 1.456 3.327 1.00 1.00 C ATOM 0 H LEU A 19 7.234 1.980 5.683 1.00 1.00 H new ATOM 0 HA LEU A 19 5.200 3.587 4.522 1.00 1.00 H new ATOM 0 HB2 LEU A 19 5.559 3.132 2.170 1.00 1.00 H new ATOM 0 HB3 LEU A 19 7.049 3.830 2.774 1.00 1.00 H new ATOM 0 HG LEU A 19 6.507 0.838 2.423 1.00 1.00 H new ATOM 0 HD11 LEU A 19 8.211 0.992 0.644 1.00 1.00 H new ATOM 0 HD12 LEU A 19 6.816 2.040 0.296 1.00 1.00 H new ATOM 0 HD13 LEU A 19 8.328 2.748 0.910 1.00 1.00 H new ATOM 0 HD21 LEU A 19 8.909 0.568 3.004 1.00 1.00 H new ATOM 0 HD22 LEU A 19 9.033 2.318 3.300 1.00 1.00 H new ATOM 0 HD23 LEU A 19 8.003 1.309 4.344 1.00 1.00 H new ATOM 301 N SER A 20 3.923 1.425 3.944 1.00 1.00 N ATOM 302 CA SER A 20 3.131 0.205 3.995 1.00 1.00 C ATOM 303 C SER A 20 3.501 -0.733 2.856 1.00 1.00 C ATOM 304 O SER A 20 3.023 -0.575 1.732 1.00 1.00 O ATOM 305 CB SER A 20 1.647 0.547 3.904 1.00 1.00 C ATOM 306 OG SER A 20 0.877 -0.632 4.107 1.00 1.00 O ATOM 0 H SER A 20 3.450 2.222 3.518 1.00 1.00 H new ATOM 0 HA SER A 20 3.339 -0.295 4.941 1.00 1.00 H new ATOM 0 HB2 SER A 20 1.389 1.297 4.652 1.00 1.00 H new ATOM 0 HB3 SER A 20 1.421 0.979 2.929 1.00 1.00 H new ATOM 0 HG SER A 20 -0.077 -0.414 4.050 1.00 1.00 H new ATOM 312 N GLU A 21 4.340 -1.727 3.157 1.00 1.00 N ATOM 313 CA GLU A 21 4.758 -2.720 2.153 1.00 1.00 C ATOM 314 C GLU A 21 4.599 -4.133 2.711 1.00 1.00 C ATOM 315 O GLU A 21 5.525 -4.941 2.667 1.00 1.00 O ATOM 316 CB GLU A 21 6.220 -2.457 1.749 1.00 1.00 C ATOM 317 CG GLU A 21 6.261 -1.428 0.609 1.00 1.00 C ATOM 318 CD GLU A 21 5.832 -2.090 -0.704 1.00 1.00 C ATOM 319 OE1 GLU A 21 5.423 -3.243 -0.665 1.00 1.00 O ATOM 320 OE2 GLU A 21 5.920 -1.437 -1.725 1.00 1.00 O ATOM 0 H GLU A 21 4.744 -1.869 4.083 1.00 1.00 H new ATOM 0 HA GLU A 21 4.126 -2.630 1.270 1.00 1.00 H new ATOM 0 HB2 GLU A 21 6.784 -2.089 2.606 1.00 1.00 H new ATOM 0 HB3 GLU A 21 6.693 -3.386 1.431 1.00 1.00 H new ATOM 0 HG2 GLU A 21 5.600 -0.592 0.838 1.00 1.00 H new ATOM 0 HG3 GLU A 21 7.267 -1.021 0.510 1.00 1.00 H new ATOM 327 N PRO A 22 3.438 -4.453 3.212 1.00 1.00 N ATOM 328 CA PRO A 22 3.161 -5.810 3.764 1.00 1.00 C ATOM 329 C PRO A 22 3.185 -6.880 2.677 1.00 1.00 C ATOM 330 O PRO A 22 2.769 -6.640 1.544 1.00 1.00 O ATOM 331 CB PRO A 22 1.757 -5.668 4.388 1.00 1.00 C ATOM 332 CG PRO A 22 1.125 -4.525 3.648 1.00 1.00 C ATOM 333 CD PRO A 22 2.268 -3.566 3.313 1.00 1.00 C ATOM 0 HA PRO A 22 3.914 -6.130 4.485 1.00 1.00 H new ATOM 0 HB2 PRO A 22 1.177 -6.584 4.272 1.00 1.00 H new ATOM 0 HB3 PRO A 22 1.818 -5.463 5.457 1.00 1.00 H new ATOM 0 HG2 PRO A 22 0.627 -4.872 2.743 1.00 1.00 H new ATOM 0 HG3 PRO A 22 0.368 -4.034 4.259 1.00 1.00 H new ATOM 0 HD2 PRO A 22 2.085 -3.034 2.380 1.00 1.00 H new ATOM 0 HD3 PRO A 22 2.401 -2.812 4.089 1.00 1.00 H new ATOM 341 N ARG A 23 3.650 -8.073 3.040 1.00 1.00 N ATOM 342 CA ARG A 23 3.702 -9.183 2.092 1.00 1.00 C ATOM 343 C ARG A 23 3.686 -10.516 2.834 1.00 1.00 C ATOM 344 O ARG A 23 4.331 -10.672 3.868 1.00 1.00 O ATOM 345 CB ARG A 23 4.971 -9.072 1.243 1.00 1.00 C ATOM 346 CG ARG A 23 4.914 -10.083 0.092 1.00 1.00 C ATOM 347 CD ARG A 23 6.211 -10.022 -0.709 1.00 1.00 C ATOM 348 NE ARG A 23 6.111 -10.865 -1.895 1.00 1.00 N ATOM 349 CZ ARG A 23 7.139 -11.009 -2.725 1.00 1.00 C ATOM 350 NH1 ARG A 23 8.264 -10.393 -2.483 1.00 1.00 N ATOM 351 NH2 ARG A 23 7.025 -11.767 -3.781 1.00 1.00 N ATOM 0 H ARG A 23 3.993 -8.295 3.975 1.00 1.00 H new ATOM 0 HA ARG A 23 2.827 -9.137 1.443 1.00 1.00 H new ATOM 0 HB2 ARG A 23 5.068 -8.061 0.847 1.00 1.00 H new ATOM 0 HB3 ARG A 23 5.850 -9.258 1.860 1.00 1.00 H new ATOM 0 HG2 ARG A 23 4.765 -11.089 0.485 1.00 1.00 H new ATOM 0 HG3 ARG A 23 4.065 -9.865 -0.555 1.00 1.00 H new ATOM 0 HD2 ARG A 23 6.418 -8.993 -1.002 1.00 1.00 H new ATOM 0 HD3 ARG A 23 7.045 -10.351 -0.089 1.00 1.00 H new ATOM 0 HE ARG A 23 5.237 -11.353 -2.091 1.00 1.00 H new ATOM 0 HH11 ARG A 23 8.354 -9.801 -1.657 1.00 1.00 H new ATOM 0 HH12 ARG A 23 9.053 -10.503 -3.120 1.00 1.00 H new ATOM 0 HH21 ARG A 23 6.146 -12.250 -3.970 1.00 1.00 H new ATOM 0 HH22 ARG A 23 7.814 -11.877 -4.417 1.00 1.00 H new ATOM 365 N GLN A 24 2.966 -11.481 2.283 1.00 1.00 N ATOM 366 CA GLN A 24 2.886 -12.808 2.888 1.00 1.00 C ATOM 367 C GLN A 24 4.268 -13.445 2.956 1.00 1.00 C ATOM 368 O GLN A 24 4.416 -14.576 3.424 1.00 1.00 O ATOM 369 CB GLN A 24 1.954 -13.711 2.067 1.00 1.00 C ATOM 370 CG GLN A 24 2.336 -13.635 0.568 1.00 1.00 C ATOM 371 CD GLN A 24 1.730 -12.388 -0.067 1.00 1.00 C ATOM 372 OE1 GLN A 24 0.572 -12.060 0.194 1.00 1.00 O ATOM 373 NE2 GLN A 24 2.450 -11.662 -0.870 1.00 1.00 N ATOM 0 H GLN A 24 2.430 -11.374 1.422 1.00 1.00 H new ATOM 0 HA GLN A 24 2.490 -12.699 3.897 1.00 1.00 H new ATOM 0 HB2 GLN A 24 2.027 -14.740 2.419 1.00 1.00 H new ATOM 0 HB3 GLN A 24 0.918 -13.400 2.204 1.00 1.00 H new ATOM 0 HG2 GLN A 24 3.421 -13.615 0.462 1.00 1.00 H new ATOM 0 HG3 GLN A 24 1.981 -14.525 0.049 1.00 1.00 H new ATOM 0 HE21 GLN A 24 3.409 -11.936 -1.084 1.00 1.00 H new ATOM 0 HE22 GLN A 24 2.056 -10.818 -1.286 1.00 1.00 H new ATOM 382 N ASP A 25 5.282 -12.722 2.485 1.00 1.00 N ATOM 383 CA ASP A 25 6.657 -13.225 2.500 1.00 1.00 C ATOM 384 C ASP A 25 7.622 -12.125 2.915 1.00 1.00 C ATOM 385 O ASP A 25 8.604 -11.861 2.226 1.00 1.00 O ATOM 386 CB ASP A 25 7.039 -13.746 1.115 1.00 1.00 C ATOM 387 CG ASP A 25 8.421 -14.392 1.165 1.00 1.00 C ATOM 388 OD1 ASP A 25 9.057 -14.320 2.207 1.00 1.00 O ATOM 389 OD2 ASP A 25 8.823 -14.959 0.165 1.00 1.00 O ATOM 0 H ASP A 25 5.179 -11.788 2.089 1.00 1.00 H new ATOM 0 HA ASP A 25 6.718 -14.039 3.222 1.00 1.00 H new ATOM 0 HB2 ASP A 25 6.301 -14.472 0.774 1.00 1.00 H new ATOM 0 HB3 ASP A 25 7.037 -12.927 0.396 1.00 1.00 H new ATOM 394 N ASN A 26 7.340 -11.487 4.049 1.00 1.00 N ATOM 395 CA ASN A 26 8.204 -10.416 4.550 1.00 1.00 C ATOM 396 C ASN A 26 9.533 -10.985 5.024 1.00 1.00 C ATOM 397 O ASN A 26 9.953 -10.747 6.154 1.00 1.00 O ATOM 398 CB ASN A 26 7.510 -9.692 5.710 1.00 1.00 C ATOM 399 CG ASN A 26 7.016 -10.704 6.738 1.00 1.00 C ATOM 400 OD1 ASN A 26 5.811 -10.907 6.881 1.00 1.00 O ATOM 401 ND2 ASN A 26 7.881 -11.357 7.467 1.00 1.00 N ATOM 0 H ASN A 26 6.529 -11.689 4.634 1.00 1.00 H new ATOM 0 HA ASN A 26 8.392 -9.710 3.741 1.00 1.00 H new ATOM 0 HB2 ASN A 26 8.203 -8.993 6.179 1.00 1.00 H new ATOM 0 HB3 ASN A 26 6.672 -9.105 5.334 1.00 1.00 H new ATOM 0 HD21 ASN A 26 7.558 -12.036 8.156 1.00 1.00 H new ATOM 0 HD22 ASN A 26 8.880 -11.188 7.347 1.00 1.00 H new ATOM 408 N SER A 27 10.203 -11.728 4.150 1.00 1.00 N ATOM 409 CA SER A 27 11.491 -12.321 4.485 1.00 1.00 C ATOM 410 C SER A 27 12.589 -11.280 4.376 1.00 1.00 C ATOM 411 O SER A 27 12.369 -10.182 3.860 1.00 1.00 O ATOM 412 CB SER A 27 11.792 -13.486 3.541 1.00 1.00 C ATOM 413 OG SER A 27 13.134 -13.910 3.736 1.00 1.00 O ATOM 0 H SER A 27 9.876 -11.933 3.206 1.00 1.00 H new ATOM 0 HA SER A 27 11.450 -12.691 5.510 1.00 1.00 H new ATOM 0 HB2 SER A 27 11.106 -14.311 3.732 1.00 1.00 H new ATOM 0 HB3 SER A 27 11.642 -13.179 2.506 1.00 1.00 H new ATOM 0 HG SER A 27 13.331 -14.658 3.134 1.00 1.00 H new ATOM 419 N PHE A 28 13.776 -11.624 4.859 1.00 1.00 N ATOM 420 CA PHE A 28 14.918 -10.701 4.808 1.00 1.00 C ATOM 421 C PHE A 28 15.871 -11.093 3.688 1.00 1.00 C ATOM 422 O PHE A 28 16.312 -12.240 3.599 1.00 1.00 O ATOM 423 CB PHE A 28 15.666 -10.729 6.145 1.00 1.00 C ATOM 424 CG PHE A 28 16.197 -12.126 6.407 1.00 1.00 C ATOM 425 CD1 PHE A 28 15.390 -13.073 7.051 1.00 1.00 C ATOM 426 CD2 PHE A 28 17.494 -12.471 6.005 1.00 1.00 C ATOM 427 CE1 PHE A 28 15.878 -14.361 7.291 1.00 1.00 C ATOM 428 CE2 PHE A 28 17.983 -13.758 6.246 1.00 1.00 C ATOM 429 CZ PHE A 28 17.175 -14.704 6.888 1.00 1.00 C ATOM 0 H PHE A 28 13.979 -12.527 5.289 1.00 1.00 H new ATOM 0 HA PHE A 28 14.543 -9.695 4.617 1.00 1.00 H new ATOM 0 HB2 PHE A 28 16.489 -10.015 6.127 1.00 1.00 H new ATOM 0 HB3 PHE A 28 14.999 -10.426 6.952 1.00 1.00 H new ATOM 0 HD1 PHE A 28 14.390 -12.808 7.362 1.00 1.00 H new ATOM 0 HD2 PHE A 28 18.117 -11.742 5.508 1.00 1.00 H new ATOM 0 HE1 PHE A 28 15.255 -15.091 7.787 1.00 1.00 H new ATOM 0 HE2 PHE A 28 18.984 -14.023 5.937 1.00 1.00 H new ATOM 0 HZ PHE A 28 17.552 -15.699 7.073 1.00 1.00 H new ATOM 439 N THR A 29 16.192 -10.129 2.830 1.00 1.00 N ATOM 440 CA THR A 29 17.095 -10.381 1.714 1.00 1.00 C ATOM 441 C THR A 29 17.639 -9.071 1.180 1.00 1.00 C ATOM 442 O THR A 29 16.972 -8.037 1.245 1.00 1.00 O ATOM 443 CB THR A 29 16.366 -11.126 0.594 1.00 1.00 C ATOM 444 OG1 THR A 29 15.749 -12.286 1.133 1.00 1.00 O ATOM 445 CG2 THR A 29 17.365 -11.531 -0.491 1.00 1.00 C ATOM 0 H THR A 29 15.842 -9.172 2.886 1.00 1.00 H new ATOM 0 HA THR A 29 17.920 -10.997 2.071 1.00 1.00 H new ATOM 0 HB THR A 29 15.608 -10.477 0.155 1.00 1.00 H new ATOM 0 HG1 THR A 29 16.213 -12.551 1.955 1.00 1.00 H new ATOM 0 HG21 THR A 29 16.842 -12.061 -1.287 1.00 1.00 H new ATOM 0 HG22 THR A 29 17.840 -10.639 -0.900 1.00 1.00 H new ATOM 0 HG23 THR A 29 18.126 -12.182 -0.060 1.00 1.00 H new ATOM 453 N THR A 30 18.865 -9.113 0.655 1.00 1.00 N ATOM 454 CA THR A 30 19.511 -7.916 0.112 1.00 1.00 C ATOM 455 C THR A 30 19.923 -8.128 -1.331 1.00 1.00 C ATOM 456 O THR A 30 20.563 -9.120 -1.668 1.00 1.00 O ATOM 457 CB THR A 30 20.753 -7.574 0.948 1.00 1.00 C ATOM 458 OG1 THR A 30 21.612 -6.727 0.198 1.00 1.00 O ATOM 459 CG2 THR A 30 21.499 -8.861 1.312 1.00 1.00 C ATOM 0 H THR A 30 19.429 -9.960 0.594 1.00 1.00 H new ATOM 0 HA THR A 30 18.796 -7.095 0.153 1.00 1.00 H new ATOM 0 HB THR A 30 20.444 -7.064 1.860 1.00 1.00 H new ATOM 0 HG1 THR A 30 21.218 -5.832 0.138 1.00 1.00 H new ATOM 0 HG21 THR A 30 22.380 -8.616 1.905 1.00 1.00 H new ATOM 0 HG22 THR A 30 20.842 -9.511 1.890 1.00 1.00 H new ATOM 0 HG23 THR A 30 21.807 -9.373 0.400 1.00 1.00 H new ATOM 467 N TYR A 31 19.553 -7.182 -2.188 1.00 1.00 N ATOM 468 CA TYR A 31 19.897 -7.260 -3.612 1.00 1.00 C ATOM 469 C TYR A 31 20.246 -5.880 -4.150 1.00 1.00 C ATOM 470 O TYR A 31 20.007 -4.867 -3.501 1.00 1.00 O ATOM 471 CB TYR A 31 18.719 -7.869 -4.409 1.00 1.00 C ATOM 472 CG TYR A 31 17.414 -7.538 -3.709 1.00 1.00 C ATOM 473 CD1 TYR A 31 17.000 -6.202 -3.600 1.00 1.00 C ATOM 474 CD2 TYR A 31 16.625 -8.561 -3.166 1.00 1.00 C ATOM 475 CE1 TYR A 31 15.802 -5.897 -2.951 1.00 1.00 C ATOM 476 CE2 TYR A 31 15.430 -8.253 -2.521 1.00 1.00 C ATOM 477 CZ TYR A 31 15.016 -6.922 -2.413 1.00 1.00 C ATOM 478 OH TYR A 31 13.828 -6.620 -1.780 1.00 1.00 O ATOM 0 H TYR A 31 19.017 -6.354 -1.928 1.00 1.00 H new ATOM 0 HA TYR A 31 20.769 -7.904 -3.728 1.00 1.00 H new ATOM 0 HB2 TYR A 31 18.710 -7.474 -5.425 1.00 1.00 H new ATOM 0 HB3 TYR A 31 18.839 -8.950 -4.488 1.00 1.00 H new ATOM 0 HD1 TYR A 31 17.606 -5.412 -4.017 1.00 1.00 H new ATOM 0 HD2 TYR A 31 16.944 -9.590 -3.248 1.00 1.00 H new ATOM 0 HE1 TYR A 31 15.482 -4.869 -2.864 1.00 1.00 H new ATOM 0 HE2 TYR A 31 14.823 -9.043 -2.104 1.00 1.00 H new ATOM 0 HH TYR A 31 13.406 -7.446 -1.465 1.00 1.00 H new ATOM 488 N THR A 32 20.767 -5.849 -5.371 1.00 1.00 N ATOM 489 CA THR A 32 21.106 -4.585 -6.018 1.00 1.00 C ATOM 490 C THR A 32 21.388 -4.798 -7.499 1.00 1.00 C ATOM 491 O THR A 32 22.341 -5.486 -7.864 1.00 1.00 O ATOM 492 CB THR A 32 22.343 -3.991 -5.346 1.00 1.00 C ATOM 493 OG1 THR A 32 22.634 -2.727 -5.923 1.00 1.00 O ATOM 494 CG2 THR A 32 23.551 -4.931 -5.533 1.00 1.00 C ATOM 0 H THR A 32 20.963 -6.679 -5.931 1.00 1.00 H new ATOM 0 HA THR A 32 20.262 -3.902 -5.919 1.00 1.00 H new ATOM 0 HB THR A 32 22.146 -3.872 -4.281 1.00 1.00 H new ATOM 0 HG1 THR A 32 23.426 -2.345 -5.491 1.00 1.00 H new ATOM 0 HG21 THR A 32 24.427 -4.498 -5.050 1.00 1.00 H new ATOM 0 HG22 THR A 32 23.331 -5.900 -5.084 1.00 1.00 H new ATOM 0 HG23 THR A 32 23.750 -5.061 -6.597 1.00 1.00 H new ATOM 502 N ALA A 33 20.560 -4.201 -8.349 1.00 1.00 N ATOM 503 CA ALA A 33 20.743 -4.316 -9.794 1.00 1.00 C ATOM 504 C ALA A 33 19.512 -3.794 -10.520 1.00 1.00 C ATOM 505 O ALA A 33 18.384 -4.153 -10.185 1.00 1.00 O ATOM 506 CB ALA A 33 21.004 -5.789 -10.184 1.00 1.00 C ATOM 0 H ALA A 33 19.760 -3.635 -8.066 1.00 1.00 H new ATOM 0 HA ALA A 33 21.606 -3.718 -10.087 1.00 1.00 H new ATOM 0 HB1 ALA A 33 21.139 -5.861 -11.263 1.00 1.00 H new ATOM 0 HB2 ALA A 33 21.904 -6.145 -9.681 1.00 1.00 H new ATOM 0 HB3 ALA A 33 20.154 -6.401 -9.883 1.00 1.00 H new ATOM 512 N ALA A 34 19.732 -2.985 -11.554 1.00 1.00 N ATOM 513 CA ALA A 34 18.626 -2.460 -12.354 1.00 1.00 C ATOM 514 C ALA A 34 18.323 -3.394 -13.520 1.00 1.00 C ATOM 515 O ALA A 34 19.178 -3.649 -14.371 1.00 1.00 O ATOM 516 CB ALA A 34 18.982 -1.073 -12.889 1.00 1.00 C ATOM 0 H ALA A 34 20.657 -2.680 -11.856 1.00 1.00 H new ATOM 0 HA ALA A 34 17.743 -2.388 -11.719 1.00 1.00 H new ATOM 0 HB1 ALA A 34 18.153 -0.689 -13.484 1.00 1.00 H new ATOM 0 HB2 ALA A 34 19.173 -0.399 -12.054 1.00 1.00 H new ATOM 0 HB3 ALA A 34 19.874 -1.141 -13.511 1.00 1.00 H new ATOM 522 N GLN A 35 17.088 -3.894 -13.566 1.00 1.00 N ATOM 523 CA GLN A 35 16.668 -4.795 -14.645 1.00 1.00 C ATOM 524 C GLN A 35 15.189 -4.609 -14.957 1.00 1.00 C ATOM 525 O GLN A 35 14.409 -4.195 -14.103 1.00 1.00 O ATOM 526 CB GLN A 35 16.929 -6.249 -14.236 1.00 1.00 C ATOM 527 CG GLN A 35 18.439 -6.488 -14.103 1.00 1.00 C ATOM 528 CD GLN A 35 18.719 -7.966 -13.877 1.00 1.00 C ATOM 529 OE1 GLN A 35 18.231 -8.811 -14.624 1.00 1.00 O ATOM 530 NE2 GLN A 35 19.483 -8.330 -12.884 1.00 1.00 N ATOM 0 H GLN A 35 16.364 -3.694 -12.876 1.00 1.00 H new ATOM 0 HA GLN A 35 17.245 -4.557 -15.539 1.00 1.00 H new ATOM 0 HB2 GLN A 35 16.433 -6.465 -13.290 1.00 1.00 H new ATOM 0 HB3 GLN A 35 16.508 -6.927 -14.979 1.00 1.00 H new ATOM 0 HG2 GLN A 35 18.949 -6.147 -15.004 1.00 1.00 H new ATOM 0 HG3 GLN A 35 18.835 -5.904 -13.272 1.00 1.00 H new ATOM 0 HE21 GLN A 35 19.886 -7.626 -12.266 1.00 1.00 H new ATOM 0 HE22 GLN A 35 19.677 -9.319 -12.726 1.00 1.00 H new ATOM 539 N GLU A 36 14.813 -4.909 -16.197 1.00 1.00 N ATOM 540 CA GLU A 36 13.425 -4.766 -16.616 1.00 1.00 C ATOM 541 C GLU A 36 12.551 -5.791 -15.906 1.00 1.00 C ATOM 542 O GLU A 36 12.866 -6.981 -15.876 1.00 1.00 O ATOM 543 CB GLU A 36 13.311 -4.958 -18.130 1.00 1.00 C ATOM 544 CG GLU A 36 11.880 -4.654 -18.584 1.00 1.00 C ATOM 545 CD GLU A 36 11.785 -4.738 -20.103 1.00 1.00 C ATOM 546 OE1 GLU A 36 12.821 -4.715 -20.747 1.00 1.00 O ATOM 547 OE2 GLU A 36 10.675 -4.828 -20.602 1.00 1.00 O ATOM 0 H GLU A 36 15.444 -5.249 -16.922 1.00 1.00 H new ATOM 0 HA GLU A 36 13.085 -3.764 -16.353 1.00 1.00 H new ATOM 0 HB2 GLU A 36 14.013 -4.301 -18.643 1.00 1.00 H new ATOM 0 HB3 GLU A 36 13.578 -5.980 -18.398 1.00 1.00 H new ATOM 0 HG2 GLU A 36 11.187 -5.362 -18.129 1.00 1.00 H new ATOM 0 HG3 GLU A 36 11.587 -3.660 -18.248 1.00 1.00 H new ATOM 554 N GLY A 37 11.437 -5.325 -15.344 1.00 1.00 N ATOM 555 CA GLY A 37 10.505 -6.212 -14.641 1.00 1.00 C ATOM 556 C GLY A 37 10.862 -6.309 -13.169 1.00 1.00 C ATOM 557 O GLY A 37 10.052 -6.748 -12.350 1.00 1.00 O ATOM 0 H GLY A 37 11.157 -4.344 -15.360 1.00 1.00 H new ATOM 0 HA2 GLY A 37 9.487 -5.837 -14.749 1.00 1.00 H new ATOM 0 HA3 GLY A 37 10.529 -7.204 -15.092 1.00 1.00 H new ATOM 561 N GLN A 38 12.083 -5.895 -12.828 1.00 1.00 N ATOM 562 CA GLN A 38 12.530 -5.949 -11.444 1.00 1.00 C ATOM 563 C GLN A 38 12.149 -4.666 -10.704 1.00 1.00 C ATOM 564 O GLN A 38 12.057 -3.600 -11.314 1.00 1.00 O ATOM 565 CB GLN A 38 14.058 -6.152 -11.384 1.00 1.00 C ATOM 566 CG GLN A 38 14.386 -7.633 -11.594 1.00 1.00 C ATOM 567 CD GLN A 38 13.850 -8.094 -12.946 1.00 1.00 C ATOM 568 OE1 GLN A 38 14.526 -7.948 -13.962 1.00 1.00 O ATOM 569 NE2 GLN A 38 12.665 -8.640 -13.019 1.00 1.00 N ATOM 0 H GLN A 38 12.769 -5.524 -13.485 1.00 1.00 H new ATOM 0 HA GLN A 38 12.038 -6.792 -10.959 1.00 1.00 H new ATOM 0 HB2 GLN A 38 14.546 -5.549 -12.149 1.00 1.00 H new ATOM 0 HB3 GLN A 38 14.442 -5.817 -10.421 1.00 1.00 H new ATOM 0 HG2 GLN A 38 15.464 -7.786 -11.548 1.00 1.00 H new ATOM 0 HG3 GLN A 38 13.945 -8.229 -10.795 1.00 1.00 H new ATOM 0 HE21 GLN A 38 12.106 -8.760 -12.174 1.00 1.00 H new ATOM 0 HE22 GLN A 38 12.299 -8.946 -13.921 1.00 1.00 H new ATOM 578 N PRO A 39 11.948 -4.747 -9.403 1.00 1.00 N ATOM 579 CA PRO A 39 11.584 -3.572 -8.570 1.00 1.00 C ATOM 580 C PRO A 39 12.284 -2.287 -9.016 1.00 1.00 C ATOM 581 O PRO A 39 13.506 -2.175 -8.928 1.00 1.00 O ATOM 582 CB PRO A 39 12.057 -3.994 -7.169 1.00 1.00 C ATOM 583 CG PRO A 39 11.934 -5.496 -7.135 1.00 1.00 C ATOM 584 CD PRO A 39 12.040 -5.981 -8.589 1.00 1.00 C ATOM 0 HA PRO A 39 10.522 -3.335 -8.632 1.00 1.00 H new ATOM 0 HB2 PRO A 39 13.086 -3.681 -6.992 1.00 1.00 H new ATOM 0 HB3 PRO A 39 11.445 -3.533 -6.393 1.00 1.00 H new ATOM 0 HG2 PRO A 39 12.721 -5.935 -6.522 1.00 1.00 H new ATOM 0 HG3 PRO A 39 10.983 -5.797 -6.695 1.00 1.00 H new ATOM 0 HD2 PRO A 39 12.981 -6.503 -8.765 1.00 1.00 H new ATOM 0 HD3 PRO A 39 11.238 -6.678 -8.834 1.00 1.00 H new ATOM 592 N GLU A 40 11.499 -1.337 -9.496 1.00 1.00 N ATOM 593 CA GLU A 40 12.049 -0.070 -9.955 1.00 1.00 C ATOM 594 C GLU A 40 12.608 0.723 -8.780 1.00 1.00 C ATOM 595 O GLU A 40 13.507 1.545 -8.945 1.00 1.00 O ATOM 596 CB GLU A 40 10.965 0.744 -10.664 1.00 1.00 C ATOM 597 CG GLU A 40 10.574 0.051 -11.972 1.00 1.00 C ATOM 598 CD GLU A 40 9.412 0.791 -12.630 1.00 1.00 C ATOM 599 OE1 GLU A 40 8.957 1.772 -12.063 1.00 1.00 O ATOM 600 OE2 GLU A 40 8.993 0.365 -13.692 1.00 1.00 O ATOM 0 H GLU A 40 10.485 -1.417 -9.578 1.00 1.00 H new ATOM 0 HA GLU A 40 12.858 -0.275 -10.656 1.00 1.00 H new ATOM 0 HB2 GLU A 40 10.092 0.845 -10.019 1.00 1.00 H new ATOM 0 HB3 GLU A 40 11.328 1.751 -10.869 1.00 1.00 H new ATOM 0 HG2 GLU A 40 11.428 0.025 -12.648 1.00 1.00 H new ATOM 0 HG3 GLU A 40 10.292 -0.983 -11.775 1.00 1.00 H new ATOM 607 N PHE A 41 12.053 0.483 -7.599 1.00 1.00 N ATOM 608 CA PHE A 41 12.485 1.190 -6.401 1.00 1.00 C ATOM 609 C PHE A 41 13.950 0.915 -6.125 1.00 1.00 C ATOM 610 O PHE A 41 14.612 1.690 -5.445 1.00 1.00 O ATOM 611 CB PHE A 41 11.650 0.751 -5.199 1.00 1.00 C ATOM 612 CG PHE A 41 10.177 0.842 -5.555 1.00 1.00 C ATOM 613 CD1 PHE A 41 9.598 2.089 -5.821 1.00 1.00 C ATOM 614 CD2 PHE A 41 9.393 -0.321 -5.622 1.00 1.00 C ATOM 615 CE1 PHE A 41 8.240 2.170 -6.153 1.00 1.00 C ATOM 616 CE2 PHE A 41 8.041 -0.237 -5.950 1.00 1.00 C ATOM 617 CZ PHE A 41 7.462 1.008 -6.216 1.00 1.00 C ATOM 0 H PHE A 41 11.305 -0.194 -7.445 1.00 1.00 H new ATOM 0 HA PHE A 41 12.347 2.259 -6.565 1.00 1.00 H new ATOM 0 HB2 PHE A 41 11.906 -0.270 -4.917 1.00 1.00 H new ATOM 0 HB3 PHE A 41 11.868 1.384 -4.339 1.00 1.00 H new ATOM 0 HD1 PHE A 41 10.197 2.986 -5.770 1.00 1.00 H new ATOM 0 HD2 PHE A 41 9.839 -1.283 -5.419 1.00 1.00 H new ATOM 0 HE1 PHE A 41 7.792 3.131 -6.361 1.00 1.00 H new ATOM 0 HE2 PHE A 41 7.440 -1.133 -5.999 1.00 1.00 H new ATOM 0 HZ PHE A 41 6.414 1.073 -6.470 1.00 1.00 H new ATOM 627 N ILE A 42 14.448 -0.211 -6.634 1.00 1.00 N ATOM 628 CA ILE A 42 15.851 -0.596 -6.429 1.00 1.00 C ATOM 629 C ILE A 42 16.684 -0.265 -7.654 1.00 1.00 C ATOM 630 O ILE A 42 17.876 0.007 -7.546 1.00 1.00 O ATOM 631 CB ILE A 42 15.936 -2.100 -6.135 1.00 1.00 C ATOM 632 CG1 ILE A 42 14.954 -2.458 -5.007 1.00 1.00 C ATOM 633 CG2 ILE A 42 17.361 -2.456 -5.696 1.00 1.00 C ATOM 634 CD1 ILE A 42 15.243 -1.620 -3.745 1.00 1.00 C ATOM 0 H ILE A 42 13.906 -0.873 -7.190 1.00 1.00 H new ATOM 0 HA ILE A 42 16.245 -0.035 -5.581 1.00 1.00 H new ATOM 0 HB ILE A 42 15.680 -2.659 -7.035 1.00 1.00 H new ATOM 0 HG12 ILE A 42 13.931 -2.282 -5.340 1.00 1.00 H new ATOM 0 HG13 ILE A 42 15.035 -3.519 -4.771 1.00 1.00 H new ATOM 0 HG21 ILE A 42 17.421 -3.524 -5.487 1.00 1.00 H new ATOM 0 HG22 ILE A 42 18.061 -2.202 -6.492 1.00 1.00 H new ATOM 0 HG23 ILE A 42 17.615 -1.896 -4.796 1.00 1.00 H new ATOM 0 HD11 ILE A 42 14.537 -1.889 -2.960 1.00 1.00 H new ATOM 0 HD12 ILE A 42 16.259 -1.817 -3.402 1.00 1.00 H new ATOM 0 HD13 ILE A 42 15.138 -0.561 -3.980 1.00 1.00 H new ATOM 646 N ASN A 43 16.062 -0.329 -8.817 1.00 1.00 N ATOM 647 CA ASN A 43 16.768 -0.063 -10.062 1.00 1.00 C ATOM 648 C ASN A 43 17.266 1.378 -10.112 1.00 1.00 C ATOM 649 O ASN A 43 18.372 1.647 -10.575 1.00 1.00 O ATOM 650 CB ASN A 43 15.846 -0.322 -11.255 1.00 1.00 C ATOM 651 CG ASN A 43 15.260 -1.728 -11.168 1.00 1.00 C ATOM 652 OD1 ASN A 43 15.740 -2.554 -10.391 1.00 1.00 O ATOM 653 ND2 ASN A 43 14.247 -2.052 -11.925 1.00 1.00 N ATOM 0 H ASN A 43 15.075 -0.561 -8.928 1.00 1.00 H new ATOM 0 HA ASN A 43 17.627 -0.732 -10.110 1.00 1.00 H new ATOM 0 HB2 ASN A 43 15.043 0.415 -11.271 1.00 1.00 H new ATOM 0 HB3 ASN A 43 16.402 -0.208 -12.186 1.00 1.00 H new ATOM 0 HD21 ASN A 43 13.852 -2.991 -11.874 1.00 1.00 H new ATOM 0 HD22 ASN A 43 13.851 -1.366 -12.568 1.00 1.00 H new ATOM 660 N ARG A 44 16.438 2.299 -9.645 1.00 1.00 N ATOM 661 CA ARG A 44 16.795 3.711 -9.658 1.00 1.00 C ATOM 662 C ARG A 44 18.051 3.962 -8.852 1.00 1.00 C ATOM 663 O ARG A 44 18.818 4.871 -9.150 1.00 1.00 O ATOM 664 CB ARG A 44 15.632 4.539 -9.093 1.00 1.00 C ATOM 665 CG ARG A 44 14.390 4.390 -10.000 1.00 1.00 C ATOM 666 CD ARG A 44 14.483 5.365 -11.181 1.00 1.00 C ATOM 667 NE ARG A 44 13.347 5.176 -12.071 1.00 1.00 N ATOM 668 CZ ARG A 44 13.345 4.212 -12.989 1.00 1.00 C ATOM 669 NH1 ARG A 44 14.373 3.412 -13.093 1.00 1.00 N ATOM 670 NH2 ARG A 44 12.322 4.068 -13.778 1.00 1.00 N ATOM 0 H ARG A 44 15.518 2.097 -9.254 1.00 1.00 H new ATOM 0 HA ARG A 44 16.990 4.010 -10.688 1.00 1.00 H new ATOM 0 HB2 ARG A 44 15.396 4.208 -8.082 1.00 1.00 H new ATOM 0 HB3 ARG A 44 15.920 5.588 -9.026 1.00 1.00 H new ATOM 0 HG2 ARG A 44 14.319 3.366 -10.368 1.00 1.00 H new ATOM 0 HG3 ARG A 44 13.484 4.586 -9.426 1.00 1.00 H new ATOM 0 HD2 ARG A 44 14.503 6.392 -10.815 1.00 1.00 H new ATOM 0 HD3 ARG A 44 15.413 5.203 -11.725 1.00 1.00 H new ATOM 0 HE ARG A 44 12.539 5.793 -11.990 1.00 1.00 H new ATOM 0 HH11 ARG A 44 15.174 3.527 -12.472 1.00 1.00 H new ATOM 0 HH12 ARG A 44 14.375 2.672 -13.795 1.00 1.00 H new ATOM 0 HH21 ARG A 44 11.521 4.694 -13.694 1.00 1.00 H new ATOM 0 HH22 ARG A 44 12.320 3.329 -14.481 1.00 1.00 H new ATOM 684 N LEU A 45 18.238 3.185 -7.805 1.00 1.00 N ATOM 685 CA LEU A 45 19.402 3.350 -6.944 1.00 1.00 C ATOM 686 C LEU A 45 20.682 2.998 -7.689 1.00 1.00 C ATOM 687 O LEU A 45 21.716 3.635 -7.492 1.00 1.00 O ATOM 688 CB LEU A 45 19.261 2.451 -5.700 1.00 1.00 C ATOM 689 CG LEU A 45 18.314 3.105 -4.684 1.00 1.00 C ATOM 690 CD1 LEU A 45 16.970 3.420 -5.359 1.00 1.00 C ATOM 691 CD2 LEU A 45 18.090 2.151 -3.507 1.00 1.00 C ATOM 0 H LEU A 45 17.605 2.435 -7.527 1.00 1.00 H new ATOM 0 HA LEU A 45 19.458 4.394 -6.637 1.00 1.00 H new ATOM 0 HB2 LEU A 45 18.877 1.473 -5.990 1.00 1.00 H new ATOM 0 HB3 LEU A 45 20.239 2.288 -5.246 1.00 1.00 H new ATOM 0 HG LEU A 45 18.758 4.031 -4.319 1.00 1.00 H new ATOM 0 HD11 LEU A 45 16.300 3.884 -4.636 1.00 1.00 H new ATOM 0 HD12 LEU A 45 17.133 4.103 -6.193 1.00 1.00 H new ATOM 0 HD13 LEU A 45 16.523 2.497 -5.728 1.00 1.00 H new ATOM 0 HD21 LEU A 45 17.418 2.615 -2.785 1.00 1.00 H new ATOM 0 HD22 LEU A 45 17.648 1.223 -3.870 1.00 1.00 H new ATOM 0 HD23 LEU A 45 19.044 1.935 -3.027 1.00 1.00 H new ATOM 703 N PHE A 46 20.623 1.951 -8.507 1.00 1.00 N ATOM 704 CA PHE A 46 21.795 1.513 -9.238 1.00 1.00 C ATOM 705 C PHE A 46 22.203 2.546 -10.275 1.00 1.00 C ATOM 706 O PHE A 46 23.355 2.579 -10.713 1.00 1.00 O ATOM 707 CB PHE A 46 21.492 0.183 -9.931 1.00 1.00 C ATOM 708 CG PHE A 46 22.752 -0.343 -10.589 1.00 1.00 C ATOM 709 CD1 PHE A 46 23.780 -0.870 -9.795 1.00 1.00 C ATOM 710 CD2 PHE A 46 22.896 -0.303 -11.983 1.00 1.00 C ATOM 711 CE1 PHE A 46 24.947 -1.355 -10.396 1.00 1.00 C ATOM 712 CE2 PHE A 46 24.060 -0.787 -12.581 1.00 1.00 C ATOM 713 CZ PHE A 46 25.087 -1.313 -11.789 1.00 1.00 C ATOM 0 H PHE A 46 19.782 1.399 -8.676 1.00 1.00 H new ATOM 0 HA PHE A 46 22.618 1.387 -8.535 1.00 1.00 H new ATOM 0 HB2 PHE A 46 21.119 -0.540 -9.206 1.00 1.00 H new ATOM 0 HB3 PHE A 46 20.709 0.320 -10.677 1.00 1.00 H new ATOM 0 HD1 PHE A 46 23.672 -0.902 -8.721 1.00 1.00 H new ATOM 0 HD2 PHE A 46 22.104 0.103 -12.595 1.00 1.00 H new ATOM 0 HE1 PHE A 46 25.740 -1.762 -9.786 1.00 1.00 H new ATOM 0 HE2 PHE A 46 24.168 -0.756 -13.655 1.00 1.00 H new ATOM 0 HZ PHE A 46 25.988 -1.687 -12.252 1.00 1.00 H new ATOM 723 N GLU A 47 21.256 3.382 -10.685 1.00 1.00 N ATOM 724 CA GLU A 47 21.530 4.403 -11.686 1.00 1.00 C ATOM 725 C GLU A 47 22.475 5.453 -11.141 1.00 1.00 C ATOM 726 O GLU A 47 23.046 6.238 -11.903 1.00 1.00 O ATOM 727 CB GLU A 47 20.223 5.075 -12.120 1.00 1.00 C ATOM 728 CG GLU A 47 19.340 4.054 -12.841 1.00 1.00 C ATOM 729 CD GLU A 47 17.984 4.672 -13.175 1.00 1.00 C ATOM 730 OE1 GLU A 47 17.781 5.831 -12.849 1.00 1.00 O ATOM 731 OE2 GLU A 47 17.166 3.975 -13.750 1.00 1.00 O ATOM 0 H GLU A 47 20.296 3.372 -10.341 1.00 1.00 H new ATOM 0 HA GLU A 47 21.998 3.920 -12.544 1.00 1.00 H new ATOM 0 HB2 GLU A 47 19.701 5.474 -11.251 1.00 1.00 H new ATOM 0 HB3 GLU A 47 20.436 5.917 -12.778 1.00 1.00 H new ATOM 0 HG2 GLU A 47 19.830 3.719 -13.755 1.00 1.00 H new ATOM 0 HG3 GLU A 47 19.202 3.174 -12.213 1.00 1.00 H new ATOM 738 N ILE A 48 22.642 5.473 -9.823 1.00 1.00 N ATOM 739 CA ILE A 48 23.531 6.434 -9.179 1.00 1.00 C ATOM 740 C ILE A 48 24.626 5.706 -8.404 1.00 1.00 C ATOM 741 O ILE A 48 24.382 4.696 -7.745 1.00 1.00 O ATOM 742 CB ILE A 48 22.718 7.337 -8.241 1.00 1.00 C ATOM 743 CG1 ILE A 48 23.688 8.323 -7.494 1.00 1.00 C ATOM 744 CG2 ILE A 48 21.928 6.476 -7.232 1.00 1.00 C ATOM 745 CD1 ILE A 48 23.986 7.815 -6.074 1.00 1.00 C ATOM 0 H ILE A 48 22.174 4.835 -9.180 1.00 1.00 H new ATOM 0 HA ILE A 48 24.006 7.051 -9.942 1.00 1.00 H new ATOM 0 HB ILE A 48 22.004 7.920 -8.823 1.00 1.00 H new ATOM 0 HG12 ILE A 48 24.618 8.421 -8.054 1.00 1.00 H new ATOM 0 HG13 ILE A 48 23.240 9.315 -7.445 1.00 1.00 H new ATOM 0 HG21 ILE A 48 21.354 7.125 -6.571 1.00 1.00 H new ATOM 0 HG22 ILE A 48 21.249 5.815 -7.771 1.00 1.00 H new ATOM 0 HG23 ILE A 48 22.622 5.879 -6.641 1.00 1.00 H new ATOM 0 HD11 ILE A 48 24.659 8.510 -5.573 1.00 1.00 H new ATOM 0 HD12 ILE A 48 23.055 7.741 -5.511 1.00 1.00 H new ATOM 0 HD13 ILE A 48 24.455 6.833 -6.130 1.00 1.00 H new ATOM 757 N GLU A 49 25.839 6.236 -8.463 1.00 1.00 N ATOM 758 CA GLU A 49 26.959 5.634 -7.742 1.00 1.00 C ATOM 759 C GLU A 49 26.865 5.915 -6.248 1.00 1.00 C ATOM 760 O GLU A 49 26.623 7.045 -5.838 1.00 1.00 O ATOM 761 CB GLU A 49 28.278 6.188 -8.295 1.00 1.00 C ATOM 762 CG GLU A 49 28.449 7.665 -7.886 1.00 1.00 C ATOM 763 CD GLU A 49 29.575 8.303 -8.685 1.00 1.00 C ATOM 764 OE1 GLU A 49 30.516 7.597 -9.011 1.00 1.00 O ATOM 765 OE2 GLU A 49 29.477 9.485 -8.957 1.00 1.00 O ATOM 0 H GLU A 49 26.075 7.073 -8.996 1.00 1.00 H new ATOM 0 HA GLU A 49 26.923 4.554 -7.885 1.00 1.00 H new ATOM 0 HB2 GLU A 49 29.114 5.600 -7.918 1.00 1.00 H new ATOM 0 HB3 GLU A 49 28.291 6.100 -9.381 1.00 1.00 H new ATOM 0 HG2 GLU A 49 27.519 8.207 -8.057 1.00 1.00 H new ATOM 0 HG3 GLU A 49 28.666 7.732 -6.820 1.00 1.00 H new ATOM 772 N GLY A 50 27.121 4.894 -5.439 1.00 1.00 N ATOM 773 CA GLY A 50 27.099 5.053 -3.985 1.00 1.00 C ATOM 774 C GLY A 50 26.428 3.865 -3.323 1.00 1.00 C ATOM 775 O GLY A 50 26.905 3.364 -2.307 1.00 1.00 O ATOM 0 H GLY A 50 27.345 3.952 -5.760 1.00 1.00 H new ATOM 0 HA2 GLY A 50 28.117 5.156 -3.611 1.00 1.00 H new ATOM 0 HA3 GLY A 50 26.569 5.968 -3.723 1.00 1.00 H new ATOM 779 N VAL A 51 25.313 3.421 -3.895 1.00 1.00 N ATOM 780 CA VAL A 51 24.577 2.303 -3.327 1.00 1.00 C ATOM 781 C VAL A 51 25.436 1.051 -3.278 1.00 1.00 C ATOM 782 O VAL A 51 25.897 0.554 -4.306 1.00 1.00 O ATOM 783 CB VAL A 51 23.330 2.021 -4.174 1.00 1.00 C ATOM 784 CG1 VAL A 51 23.742 1.579 -5.592 1.00 1.00 C ATOM 785 CG2 VAL A 51 22.497 0.915 -3.510 1.00 1.00 C ATOM 0 H VAL A 51 24.905 3.815 -4.743 1.00 1.00 H new ATOM 0 HA VAL A 51 24.288 2.570 -2.310 1.00 1.00 H new ATOM 0 HB VAL A 51 22.735 2.931 -4.246 1.00 1.00 H new ATOM 0 HG11 VAL A 51 22.849 1.381 -6.185 1.00 1.00 H new ATOM 0 HG12 VAL A 51 24.324 2.370 -6.065 1.00 1.00 H new ATOM 0 HG13 VAL A 51 24.344 0.673 -5.530 1.00 1.00 H new ATOM 0 HG21 VAL A 51 21.611 0.715 -4.113 1.00 1.00 H new ATOM 0 HG22 VAL A 51 23.095 0.007 -3.431 1.00 1.00 H new ATOM 0 HG23 VAL A 51 22.193 1.237 -2.514 1.00 1.00 H new ATOM 795 N LYS A 52 25.650 0.530 -2.075 1.00 1.00 N ATOM 796 CA LYS A 52 26.447 -0.684 -1.905 1.00 1.00 C ATOM 797 C LYS A 52 25.532 -1.899 -1.811 1.00 1.00 C ATOM 798 O LYS A 52 25.810 -2.944 -2.401 1.00 1.00 O ATOM 799 CB LYS A 52 27.295 -0.578 -0.634 1.00 1.00 C ATOM 800 CG LYS A 52 28.208 -1.805 -0.527 1.00 1.00 C ATOM 801 CD LYS A 52 29.126 -1.656 0.685 1.00 1.00 C ATOM 802 CE LYS A 52 30.047 -2.873 0.781 1.00 1.00 C ATOM 803 NZ LYS A 52 30.967 -2.710 1.942 1.00 1.00 N ATOM 0 H LYS A 52 25.287 0.924 -1.207 1.00 1.00 H new ATOM 0 HA LYS A 52 27.105 -0.798 -2.767 1.00 1.00 H new ATOM 0 HB2 LYS A 52 27.893 0.333 -0.658 1.00 1.00 H new ATOM 0 HB3 LYS A 52 26.650 -0.513 0.242 1.00 1.00 H new ATOM 0 HG2 LYS A 52 27.608 -2.710 -0.433 1.00 1.00 H new ATOM 0 HG3 LYS A 52 28.802 -1.909 -1.435 1.00 1.00 H new ATOM 0 HD2 LYS A 52 29.718 -0.745 0.596 1.00 1.00 H new ATOM 0 HD3 LYS A 52 28.533 -1.563 1.595 1.00 1.00 H new ATOM 0 HE2 LYS A 52 29.456 -3.781 0.897 1.00 1.00 H new ATOM 0 HE3 LYS A 52 30.621 -2.981 -0.139 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 31.593 -3.538 2.007 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 31.540 -1.852 1.813 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 30.411 -2.627 2.817 1.00 1.00 H new ATOM 817 N SER A 53 24.442 -1.763 -1.061 1.00 1.00 N ATOM 818 CA SER A 53 23.495 -2.864 -0.894 1.00 1.00 C ATOM 819 C SER A 53 22.195 -2.355 -0.288 1.00 1.00 C ATOM 820 O SER A 53 22.131 -1.232 0.209 1.00 1.00 O ATOM 821 CB SER A 53 24.087 -3.938 0.011 1.00 1.00 C ATOM 822 OG SER A 53 24.268 -3.403 1.317 1.00 1.00 O ATOM 0 H SER A 53 24.193 -0.909 -0.562 1.00 1.00 H new ATOM 0 HA SER A 53 23.291 -3.292 -1.875 1.00 1.00 H new ATOM 0 HB2 SER A 53 23.426 -4.804 0.048 1.00 1.00 H new ATOM 0 HB3 SER A 53 25.041 -4.282 -0.389 1.00 1.00 H new ATOM 0 HG SER A 53 23.545 -3.714 1.901 1.00 1.00 H new ATOM 828 N ILE A 54 21.153 -3.185 -0.349 1.00 1.00 N ATOM 829 CA ILE A 54 19.835 -2.812 0.185 1.00 1.00 C ATOM 830 C ILE A 54 19.249 -3.947 0.977 1.00 1.00 C ATOM 831 O ILE A 54 19.570 -5.089 0.728 1.00 1.00 O ATOM 832 CB ILE A 54 18.885 -2.444 -0.960 1.00 1.00 C ATOM 833 CG1 ILE A 54 19.555 -1.372 -1.867 1.00 1.00 C ATOM 834 CG2 ILE A 54 17.582 -1.882 -0.380 1.00 1.00 C ATOM 835 CD1 ILE A 54 20.297 -2.062 -3.015 1.00 1.00 C ATOM 0 H ILE A 54 21.192 -4.117 -0.761 1.00 1.00 H new ATOM 0 HA ILE A 54 19.962 -1.950 0.839 1.00 1.00 H new ATOM 0 HB ILE A 54 18.666 -3.333 -1.551 1.00 1.00 H new ATOM 0 HG12 ILE A 54 18.800 -0.694 -2.264 1.00 1.00 H new ATOM 0 HG13 ILE A 54 20.249 -0.769 -1.282 1.00 1.00 H new ATOM 0 HG21 ILE A 54 16.905 -1.620 -1.193 1.00 1.00 H new ATOM 0 HG22 ILE A 54 17.112 -2.633 0.255 1.00 1.00 H new ATOM 0 HG23 ILE A 54 17.801 -0.993 0.211 1.00 1.00 H new ATOM 0 HD11 ILE A 54 20.766 -1.310 -3.649 1.00 1.00 H new ATOM 0 HD12 ILE A 54 21.063 -2.722 -2.608 1.00 1.00 H new ATOM 0 HD13 ILE A 54 19.591 -2.646 -3.606 1.00 1.00 H new ATOM 847 N PHE A 55 18.397 -3.621 1.940 1.00 1.00 N ATOM 848 CA PHE A 55 17.748 -4.638 2.775 1.00 1.00 C ATOM 849 C PHE A 55 16.245 -4.434 2.766 1.00 1.00 C ATOM 850 O PHE A 55 15.755 -3.330 3.003 1.00 1.00 O ATOM 851 CB PHE A 55 18.271 -4.549 4.204 1.00 1.00 C ATOM 852 CG PHE A 55 19.756 -4.842 4.211 1.00 1.00 C ATOM 853 CD1 PHE A 55 20.677 -3.798 4.054 1.00 1.00 C ATOM 854 CD2 PHE A 55 20.211 -6.157 4.374 1.00 1.00 C ATOM 855 CE1 PHE A 55 22.049 -4.067 4.063 1.00 1.00 C ATOM 856 CE2 PHE A 55 21.582 -6.426 4.383 1.00 1.00 C ATOM 857 CZ PHE A 55 22.502 -5.382 4.229 1.00 1.00 C ATOM 0 H PHE A 55 18.135 -2.662 2.167 1.00 1.00 H new ATOM 0 HA PHE A 55 17.977 -5.624 2.372 1.00 1.00 H new ATOM 0 HB2 PHE A 55 18.082 -3.556 4.611 1.00 1.00 H new ATOM 0 HB3 PHE A 55 17.745 -5.260 4.841 1.00 1.00 H new ATOM 0 HD1 PHE A 55 20.327 -2.784 3.926 1.00 1.00 H new ATOM 0 HD2 PHE A 55 19.502 -6.963 4.493 1.00 1.00 H new ATOM 0 HE1 PHE A 55 22.759 -3.262 3.942 1.00 1.00 H new ATOM 0 HE2 PHE A 55 21.932 -7.440 4.509 1.00 1.00 H new ATOM 0 HZ PHE A 55 23.562 -5.591 4.238 1.00 1.00 H new ATOM 867 N TYR A 56 15.508 -5.514 2.496 1.00 1.00 N ATOM 868 CA TYR A 56 14.040 -5.465 2.466 1.00 1.00 C ATOM 869 C TYR A 56 13.460 -6.454 3.470 1.00 1.00 C ATOM 870 O TYR A 56 13.723 -7.652 3.400 1.00 1.00 O ATOM 871 CB TYR A 56 13.541 -5.792 1.059 1.00 1.00 C ATOM 872 CG TYR A 56 12.025 -5.803 1.051 1.00 1.00 C ATOM 873 CD1 TYR A 56 11.339 -6.970 1.405 1.00 1.00 C ATOM 874 CD2 TYR A 56 11.313 -4.653 0.696 1.00 1.00 C ATOM 875 CE1 TYR A 56 9.942 -6.988 1.404 1.00 1.00 C ATOM 876 CE2 TYR A 56 9.917 -4.668 0.695 1.00 1.00 C ATOM 877 CZ TYR A 56 9.229 -5.835 1.049 1.00 1.00 C ATOM 878 OH TYR A 56 7.850 -5.850 1.045 1.00 1.00 O ATOM 0 H TYR A 56 15.901 -6.433 2.295 1.00 1.00 H new ATOM 0 HA TYR A 56 13.713 -4.461 2.736 1.00 1.00 H new ATOM 0 HB2 TYR A 56 13.914 -5.054 0.349 1.00 1.00 H new ATOM 0 HB3 TYR A 56 13.924 -6.762 0.742 1.00 1.00 H new ATOM 0 HD1 TYR A 56 11.890 -7.858 1.679 1.00 1.00 H new ATOM 0 HD2 TYR A 56 11.843 -3.753 0.422 1.00 1.00 H new ATOM 0 HE1 TYR A 56 9.412 -7.889 1.676 1.00 1.00 H new ATOM 0 HE2 TYR A 56 9.368 -3.779 0.421 1.00 1.00 H new ATOM 0 HH TYR A 56 7.515 -5.381 1.838 1.00 1.00 H new ATOM 888 N VAL A 57 12.649 -5.944 4.396 1.00 1.00 N ATOM 889 CA VAL A 57 12.017 -6.792 5.397 1.00 1.00 C ATOM 890 C VAL A 57 10.876 -6.049 6.083 1.00 1.00 C ATOM 891 O VAL A 57 10.927 -4.833 6.260 1.00 1.00 O ATOM 892 CB VAL A 57 13.057 -7.230 6.429 1.00 1.00 C ATOM 893 CG1 VAL A 57 13.637 -5.997 7.128 1.00 1.00 C ATOM 894 CG2 VAL A 57 12.396 -8.149 7.467 1.00 1.00 C ATOM 0 H VAL A 57 12.417 -4.954 4.471 1.00 1.00 H new ATOM 0 HA VAL A 57 11.606 -7.673 4.905 1.00 1.00 H new ATOM 0 HB VAL A 57 13.859 -7.771 5.927 1.00 1.00 H new ATOM 0 HG11 VAL A 57 14.378 -6.311 7.863 1.00 1.00 H new ATOM 0 HG12 VAL A 57 14.110 -5.349 6.390 1.00 1.00 H new ATOM 0 HG13 VAL A 57 12.837 -5.453 7.629 1.00 1.00 H new ATOM 0 HG21 VAL A 57 13.138 -8.461 8.202 1.00 1.00 H new ATOM 0 HG22 VAL A 57 11.592 -7.611 7.969 1.00 1.00 H new ATOM 0 HG23 VAL A 57 11.989 -9.028 6.968 1.00 1.00 H new ATOM 904 N LEU A 58 9.863 -6.791 6.499 1.00 1.00 N ATOM 905 CA LEU A 58 8.735 -6.198 7.184 1.00 1.00 C ATOM 906 C LEU A 58 8.081 -5.119 6.332 1.00 1.00 C ATOM 907 O LEU A 58 7.742 -5.367 5.183 1.00 1.00 O ATOM 908 CB LEU A 58 9.192 -5.606 8.540 1.00 1.00 C ATOM 909 CG LEU A 58 7.970 -5.446 9.476 1.00 1.00 C ATOM 910 CD1 LEU A 58 7.411 -6.842 9.862 1.00 1.00 C ATOM 911 CD2 LEU A 58 8.392 -4.693 10.734 1.00 1.00 C ATOM 0 H LEU A 58 9.802 -7.801 6.373 1.00 1.00 H new ATOM 0 HA LEU A 58 7.996 -6.978 7.364 1.00 1.00 H new ATOM 0 HB2 LEU A 58 9.933 -6.258 9.002 1.00 1.00 H new ATOM 0 HB3 LEU A 58 9.671 -4.640 8.383 1.00 1.00 H new ATOM 0 HG LEU A 58 7.191 -4.885 8.960 1.00 1.00 H new ATOM 0 HD11 LEU A 58 6.551 -6.720 10.521 1.00 1.00 H new ATOM 0 HD12 LEU A 58 7.105 -7.373 8.961 1.00 1.00 H new ATOM 0 HD13 LEU A 58 8.184 -7.414 10.376 1.00 1.00 H new ATOM 0 HD21 LEU A 58 7.533 -4.579 11.395 1.00 1.00 H new ATOM 0 HD22 LEU A 58 9.174 -5.252 11.248 1.00 1.00 H new ATOM 0 HD23 LEU A 58 8.771 -3.709 10.459 1.00 1.00 H new ATOM 923 N ASP A 59 7.891 -3.925 6.915 1.00 1.00 N ATOM 924 CA ASP A 59 7.270 -2.815 6.219 1.00 1.00 C ATOM 925 C ASP A 59 8.220 -1.643 6.121 1.00 1.00 C ATOM 926 O ASP A 59 7.783 -0.505 5.999 1.00 1.00 O ATOM 927 CB ASP A 59 5.998 -2.403 6.954 1.00 1.00 C ATOM 928 CG ASP A 59 4.974 -3.536 6.894 1.00 1.00 C ATOM 929 OD1 ASP A 59 5.111 -4.393 6.034 1.00 1.00 O ATOM 930 OD2 ASP A 59 4.067 -3.531 7.709 1.00 1.00 O ATOM 0 H ASP A 59 8.165 -3.715 7.875 1.00 1.00 H new ATOM 0 HA ASP A 59 7.018 -3.131 5.207 1.00 1.00 H new ATOM 0 HB2 ASP A 59 6.228 -2.164 7.992 1.00 1.00 H new ATOM 0 HB3 ASP A 59 5.583 -1.501 6.504 1.00 1.00 H new ATOM 935 N PHE A 60 9.521 -1.909 6.185 1.00 1.00 N ATOM 936 CA PHE A 60 10.520 -0.843 6.091 1.00 1.00 C ATOM 937 C PHE A 60 11.740 -1.355 5.341 1.00 1.00 C ATOM 938 O PHE A 60 11.999 -2.560 5.304 1.00 1.00 O ATOM 939 CB PHE A 60 10.938 -0.371 7.487 1.00 1.00 C ATOM 940 CG PHE A 60 11.691 -1.478 8.204 1.00 1.00 C ATOM 941 CD1 PHE A 60 10.994 -2.427 8.948 1.00 1.00 C ATOM 942 CD2 PHE A 60 13.087 -1.546 8.108 1.00 1.00 C ATOM 943 CE1 PHE A 60 11.688 -3.450 9.602 1.00 1.00 C ATOM 944 CE2 PHE A 60 13.782 -2.567 8.760 1.00 1.00 C ATOM 945 CZ PHE A 60 13.083 -3.519 9.509 1.00 1.00 C ATOM 0 H PHE A 60 9.909 -2.845 6.301 1.00 1.00 H new ATOM 0 HA PHE A 60 10.083 -0.001 5.554 1.00 1.00 H new ATOM 0 HB2 PHE A 60 11.567 0.516 7.407 1.00 1.00 H new ATOM 0 HB3 PHE A 60 10.057 -0.086 8.063 1.00 1.00 H new ATOM 0 HD1 PHE A 60 9.918 -2.373 9.020 1.00 1.00 H new ATOM 0 HD2 PHE A 60 13.625 -0.809 7.530 1.00 1.00 H new ATOM 0 HE1 PHE A 60 11.148 -4.186 10.179 1.00 1.00 H new ATOM 0 HE2 PHE A 60 14.858 -2.621 8.686 1.00 1.00 H new ATOM 0 HZ PHE A 60 13.620 -4.308 10.016 1.00 1.00 H new ATOM 955 N ILE A 61 12.496 -0.436 4.740 1.00 1.00 N ATOM 956 CA ILE A 61 13.700 -0.800 3.991 1.00 1.00 C ATOM 957 C ILE A 61 14.875 0.048 4.438 1.00 1.00 C ATOM 958 O ILE A 61 14.709 1.220 4.777 1.00 1.00 O ATOM 959 CB ILE A 61 13.447 -0.594 2.500 1.00 1.00 C ATOM 960 CG1 ILE A 61 13.075 0.865 2.225 1.00 1.00 C ATOM 961 CG2 ILE A 61 12.301 -1.504 2.041 1.00 1.00 C ATOM 962 CD1 ILE A 61 12.875 1.078 0.723 1.00 1.00 C ATOM 0 H ILE A 61 12.297 0.564 4.757 1.00 1.00 H new ATOM 0 HA ILE A 61 13.937 -1.847 4.180 1.00 1.00 H new ATOM 0 HB ILE A 61 14.356 -0.842 1.951 1.00 1.00 H new ATOM 0 HG12 ILE A 61 12.163 1.124 2.762 1.00 1.00 H new ATOM 0 HG13 ILE A 61 13.860 1.525 2.593 1.00 1.00 H new ATOM 0 HG21 ILE A 61 12.122 -1.355 0.976 1.00 1.00 H new ATOM 0 HG22 ILE A 61 12.568 -2.545 2.222 1.00 1.00 H new ATOM 0 HG23 ILE A 61 11.397 -1.260 2.598 1.00 1.00 H new ATOM 0 HD11 ILE A 61 12.610 2.119 0.535 1.00 1.00 H new ATOM 0 HD12 ILE A 61 13.798 0.837 0.195 1.00 1.00 H new ATOM 0 HD13 ILE A 61 12.074 0.430 0.367 1.00 1.00 H new ATOM 974 N SER A 62 16.071 -0.535 4.397 1.00 1.00 N ATOM 975 CA SER A 62 17.294 0.191 4.769 1.00 1.00 C ATOM 976 C SER A 62 18.244 0.217 3.587 1.00 1.00 C ATOM 977 O SER A 62 18.655 -0.826 3.077 1.00 1.00 O ATOM 978 CB SER A 62 17.965 -0.486 5.955 1.00 1.00 C ATOM 979 OG SER A 62 17.029 -0.590 7.016 1.00 1.00 O ATOM 0 H SER A 62 16.224 -1.502 4.112 1.00 1.00 H new ATOM 0 HA SER A 62 17.033 1.212 5.049 1.00 1.00 H new ATOM 0 HB2 SER A 62 18.324 -1.475 5.671 1.00 1.00 H new ATOM 0 HB3 SER A 62 18.834 0.089 6.275 1.00 1.00 H new ATOM 0 HG SER A 62 17.453 -1.027 7.784 1.00 1.00 H new ATOM 985 N ILE A 63 18.581 1.424 3.126 1.00 1.00 N ATOM 986 CA ILE A 63 19.472 1.582 1.968 1.00 1.00 C ATOM 987 C ILE A 63 20.853 2.028 2.415 1.00 1.00 C ATOM 988 O ILE A 63 20.996 3.057 3.066 1.00 1.00 O ATOM 989 CB ILE A 63 18.880 2.622 1.014 1.00 1.00 C ATOM 990 CG1 ILE A 63 17.459 2.183 0.587 1.00 1.00 C ATOM 991 CG2 ILE A 63 19.764 2.734 -0.237 1.00 1.00 C ATOM 992 CD1 ILE A 63 16.732 3.356 -0.077 1.00 1.00 C ATOM 0 H ILE A 63 18.255 2.301 3.531 1.00 1.00 H new ATOM 0 HA ILE A 63 19.565 0.622 1.459 1.00 1.00 H new ATOM 0 HB ILE A 63 18.832 3.586 1.520 1.00 1.00 H new ATOM 0 HG12 ILE A 63 17.520 1.343 -0.105 1.00 1.00 H new ATOM 0 HG13 ILE A 63 16.898 1.840 1.456 1.00 1.00 H new ATOM 0 HG21 ILE A 63 19.342 3.475 -0.916 1.00 1.00 H new ATOM 0 HG22 ILE A 63 20.769 3.040 0.054 1.00 1.00 H new ATOM 0 HG23 ILE A 63 19.810 1.767 -0.738 1.00 1.00 H new ATOM 0 HD11 ILE A 63 15.732 3.042 -0.376 1.00 1.00 H new ATOM 0 HD12 ILE A 63 16.657 4.184 0.628 1.00 1.00 H new ATOM 0 HD13 ILE A 63 17.289 3.678 -0.957 1.00 1.00 H new ATOM 1004 N ASP A 64 21.861 1.259 2.027 1.00 1.00 N ATOM 1005 CA ASP A 64 23.247 1.583 2.370 1.00 1.00 C ATOM 1006 C ASP A 64 23.952 2.217 1.185 1.00 1.00 C ATOM 1007 O ASP A 64 23.980 1.647 0.093 1.00 1.00 O ATOM 1008 CB ASP A 64 23.994 0.321 2.799 1.00 1.00 C ATOM 1009 CG ASP A 64 25.338 0.697 3.414 1.00 1.00 C ATOM 1010 OD1 ASP A 64 25.736 1.846 3.275 1.00 1.00 O ATOM 1011 OD2 ASP A 64 25.947 -0.164 4.019 1.00 1.00 O ATOM 0 H ASP A 64 21.750 0.408 1.476 1.00 1.00 H new ATOM 0 HA ASP A 64 23.239 2.292 3.198 1.00 1.00 H new ATOM 0 HB2 ASP A 64 23.398 -0.238 3.520 1.00 1.00 H new ATOM 0 HB3 ASP A 64 24.147 -0.331 1.939 1.00 1.00 H new ATOM 1016 N LYS A 65 24.516 3.409 1.395 1.00 1.00 N ATOM 1017 CA LYS A 65 25.220 4.124 0.331 1.00 1.00 C ATOM 1018 C LYS A 65 26.530 4.704 0.831 1.00 1.00 C ATOM 1019 O LYS A 65 26.683 4.976 2.020 1.00 1.00 O ATOM 1020 CB LYS A 65 24.334 5.252 -0.192 1.00 1.00 C ATOM 1021 CG LYS A 65 22.883 4.749 -0.344 1.00 1.00 C ATOM 1022 CD LYS A 65 22.110 5.686 -1.306 1.00 1.00 C ATOM 1023 CE LYS A 65 22.379 5.262 -2.771 1.00 1.00 C ATOM 1024 NZ LYS A 65 22.432 6.467 -3.625 1.00 1.00 N ATOM 0 H LYS A 65 24.498 3.897 2.290 1.00 1.00 H new ATOM 0 HA LYS A 65 25.442 3.417 -0.468 1.00 1.00 H new ATOM 0 HB2 LYS A 65 24.365 6.099 0.493 1.00 1.00 H new ATOM 0 HB3 LYS A 65 24.709 5.606 -1.153 1.00 1.00 H new ATOM 0 HG2 LYS A 65 22.879 3.730 -0.730 1.00 1.00 H new ATOM 0 HG3 LYS A 65 22.392 4.723 0.629 1.00 1.00 H new ATOM 0 HD2 LYS A 65 21.042 5.641 -1.094 1.00 1.00 H new ATOM 0 HD3 LYS A 65 22.422 6.719 -1.153 1.00 1.00 H new ATOM 0 HE2 LYS A 65 23.319 4.714 -2.837 1.00 1.00 H new ATOM 0 HE3 LYS A 65 21.594 4.590 -3.118 1.00 1.00 H new ATOM 0 HZ1 LYS A 65 21.953 6.274 -4.528 1.00 1.00 H new ATOM 0 HZ2 LYS A 65 21.957 7.256 -3.142 1.00 1.00 H new ATOM 0 HZ3 LYS A 65 23.424 6.720 -3.807 1.00 1.00 H new ATOM 1038 N GLU A 66 27.473 4.892 -0.086 1.00 1.00 N ATOM 1039 CA GLU A 66 28.765 5.444 0.281 1.00 1.00 C ATOM 1040 C GLU A 66 28.602 6.848 0.855 1.00 1.00 C ATOM 1041 O GLU A 66 27.530 7.439 0.771 1.00 1.00 O ATOM 1042 CB GLU A 66 29.685 5.474 -0.949 1.00 1.00 C ATOM 1043 CG GLU A 66 31.112 5.873 -0.531 1.00 1.00 C ATOM 1044 CD GLU A 66 32.089 5.604 -1.661 1.00 1.00 C ATOM 1045 OE1 GLU A 66 31.636 5.368 -2.768 1.00 1.00 O ATOM 1046 OE2 GLU A 66 33.278 5.629 -1.399 1.00 1.00 O ATOM 0 H GLU A 66 27.366 4.672 -1.076 1.00 1.00 H new ATOM 0 HA GLU A 66 29.215 4.811 1.046 1.00 1.00 H new ATOM 0 HB2 GLU A 66 29.698 4.495 -1.427 1.00 1.00 H new ATOM 0 HB3 GLU A 66 29.301 6.182 -1.683 1.00 1.00 H new ATOM 0 HG2 GLU A 66 31.137 6.929 -0.263 1.00 1.00 H new ATOM 0 HG3 GLU A 66 31.408 5.312 0.356 1.00 1.00 H new ATOM 1053 N ASP A 67 29.679 7.380 1.419 1.00 1.00 N ATOM 1054 CA ASP A 67 29.655 8.720 1.985 1.00 1.00 C ATOM 1055 C ASP A 67 29.493 9.773 0.896 1.00 1.00 C ATOM 1056 O ASP A 67 29.072 10.900 1.165 1.00 1.00 O ATOM 1057 CB ASP A 67 30.945 8.987 2.763 1.00 1.00 C ATOM 1058 CG ASP A 67 30.838 10.311 3.515 1.00 1.00 C ATOM 1059 OD1 ASP A 67 29.730 10.803 3.658 1.00 1.00 O ATOM 1060 OD2 ASP A 67 31.865 10.814 3.938 1.00 1.00 O ATOM 0 H ASP A 67 30.578 6.904 1.496 1.00 1.00 H new ATOM 0 HA ASP A 67 28.801 8.783 2.660 1.00 1.00 H new ATOM 0 HB2 ASP A 67 31.130 8.174 3.466 1.00 1.00 H new ATOM 0 HB3 ASP A 67 31.793 9.016 2.078 1.00 1.00 H new ATOM 1065 N ASN A 68 29.845 9.413 -0.338 1.00 1.00 N ATOM 1066 CA ASN A 68 29.748 10.345 -1.458 1.00 1.00 C ATOM 1067 C ASN A 68 28.332 10.372 -2.009 1.00 1.00 C ATOM 1068 O ASN A 68 28.019 11.158 -2.904 1.00 1.00 O ATOM 1069 CB ASN A 68 30.719 9.928 -2.563 1.00 1.00 C ATOM 1070 CG ASN A 68 30.733 10.979 -3.669 1.00 1.00 C ATOM 1071 OD1 ASN A 68 29.881 10.956 -4.557 1.00 1.00 O ATOM 1072 ND2 ASN A 68 31.654 11.903 -3.666 1.00 1.00 N ATOM 0 H ASN A 68 30.198 8.488 -0.585 1.00 1.00 H new ATOM 0 HA ASN A 68 30.005 11.343 -1.102 1.00 1.00 H new ATOM 0 HB2 ASN A 68 31.721 9.808 -2.152 1.00 1.00 H new ATOM 0 HB3 ASN A 68 30.424 8.962 -2.972 1.00 1.00 H new ATOM 0 HD21 ASN A 68 31.670 12.610 -4.401 1.00 1.00 H new ATOM 0 HD22 ASN A 68 32.358 11.919 -2.928 1.00 1.00 H new ATOM 1079 N ALA A 69 27.477 9.500 -1.485 1.00 1.00 N ATOM 1080 CA ALA A 69 26.096 9.427 -1.947 1.00 1.00 C ATOM 1081 C ALA A 69 25.253 10.485 -1.268 1.00 1.00 C ATOM 1082 O ALA A 69 25.537 10.899 -0.142 1.00 1.00 O ATOM 1083 CB ALA A 69 25.516 8.041 -1.640 1.00 1.00 C ATOM 0 H ALA A 69 27.714 8.839 -0.746 1.00 1.00 H new ATOM 0 HA ALA A 69 26.083 9.599 -3.023 1.00 1.00 H new ATOM 0 HB1 ALA A 69 24.484 7.993 -1.988 1.00 1.00 H new ATOM 0 HB2 ALA A 69 26.106 7.279 -2.149 1.00 1.00 H new ATOM 0 HB3 ALA A 69 25.545 7.864 -0.565 1.00 1.00 H new ATOM 1089 N ASN A 70 24.190 10.921 -1.942 1.00 1.00 N ATOM 1090 CA ASN A 70 23.288 11.932 -1.380 1.00 1.00 C ATOM 1091 C ASN A 70 21.838 11.599 -1.753 1.00 1.00 C ATOM 1092 O ASN A 70 21.472 11.569 -2.923 1.00 1.00 O ATOM 1093 CB ASN A 70 23.659 13.323 -1.919 1.00 1.00 C ATOM 1094 CG ASN A 70 24.007 13.231 -3.403 1.00 1.00 C ATOM 1095 OD1 ASN A 70 24.740 14.072 -3.917 1.00 1.00 O ATOM 1096 ND2 ASN A 70 23.523 12.255 -4.123 1.00 1.00 N ATOM 0 H ASN A 70 23.931 10.594 -2.873 1.00 1.00 H new ATOM 0 HA ASN A 70 23.387 11.934 -0.295 1.00 1.00 H new ATOM 0 HB2 ASN A 70 22.827 14.012 -1.774 1.00 1.00 H new ATOM 0 HB3 ASN A 70 24.506 13.724 -1.362 1.00 1.00 H new ATOM 0 HD21 ASN A 70 23.753 12.190 -5.114 1.00 1.00 H new ATOM 0 HD22 ASN A 70 22.915 11.558 -3.694 1.00 1.00 H new ATOM 1103 N TRP A 71 21.016 11.368 -0.740 1.00 1.00 N ATOM 1104 CA TRP A 71 19.615 11.045 -0.963 1.00 1.00 C ATOM 1105 C TRP A 71 18.921 12.145 -1.756 1.00 1.00 C ATOM 1106 O TRP A 71 17.882 11.911 -2.371 1.00 1.00 O ATOM 1107 CB TRP A 71 18.900 10.848 0.383 1.00 1.00 C ATOM 1108 CG TRP A 71 19.379 9.583 1.028 1.00 1.00 C ATOM 1109 CD1 TRP A 71 20.664 9.315 1.363 1.00 1.00 C ATOM 1110 CD2 TRP A 71 18.606 8.410 1.409 1.00 1.00 C ATOM 1111 NE1 TRP A 71 20.726 8.058 1.926 1.00 1.00 N ATOM 1112 CE2 TRP A 71 19.484 7.459 1.979 1.00 1.00 C ATOM 1113 CE3 TRP A 71 17.239 8.083 1.321 1.00 1.00 C ATOM 1114 CZ2 TRP A 71 19.024 6.227 2.446 1.00 1.00 C ATOM 1115 CZ3 TRP A 71 16.774 6.844 1.790 1.00 1.00 C ATOM 1116 CH2 TRP A 71 17.665 5.918 2.352 1.00 1.00 C ATOM 0 H TRP A 71 21.294 11.398 0.241 1.00 1.00 H new ATOM 0 HA TRP A 71 19.567 10.121 -1.539 1.00 1.00 H new ATOM 0 HB2 TRP A 71 19.095 11.698 1.037 1.00 1.00 H new ATOM 0 HB3 TRP A 71 17.822 10.804 0.230 1.00 1.00 H new ATOM 0 HD1 TRP A 71 21.503 9.978 1.213 1.00 1.00 H new ATOM 0 HE1 TRP A 71 21.585 7.624 2.262 1.00 1.00 H new ATOM 0 HE3 TRP A 71 16.545 8.789 0.890 1.00 1.00 H new ATOM 0 HZ2 TRP A 71 19.714 5.517 2.877 1.00 1.00 H new ATOM 0 HZ3 TRP A 71 15.724 6.603 1.718 1.00 1.00 H new ATOM 0 HH2 TRP A 71 17.301 4.967 2.712 1.00 1.00 H new ATOM 1127 N ASN A 72 19.496 13.335 -1.734 1.00 1.00 N ATOM 1128 CA ASN A 72 18.918 14.468 -2.445 1.00 1.00 C ATOM 1129 C ASN A 72 18.777 14.153 -3.929 1.00 1.00 C ATOM 1130 O ASN A 72 17.822 14.582 -4.576 1.00 1.00 O ATOM 1131 CB ASN A 72 19.806 15.703 -2.271 1.00 1.00 C ATOM 1132 CG ASN A 72 20.026 15.985 -0.789 1.00 1.00 C ATOM 1133 OD1 ASN A 72 19.334 16.818 -0.204 1.00 1.00 O ATOM 1134 ND2 ASN A 72 20.953 15.331 -0.143 1.00 1.00 N ATOM 0 H ASN A 72 20.360 13.544 -1.234 1.00 1.00 H new ATOM 0 HA ASN A 72 17.930 14.666 -2.029 1.00 1.00 H new ATOM 0 HB2 ASN A 72 20.764 15.544 -2.765 1.00 1.00 H new ATOM 0 HB3 ASN A 72 19.341 16.565 -2.748 1.00 1.00 H new ATOM 0 HD21 ASN A 72 21.106 15.510 0.850 1.00 1.00 H new ATOM 0 HD22 ASN A 72 21.525 14.641 -0.631 1.00 1.00 H new ATOM 1141 N GLU A 73 19.730 13.398 -4.462 1.00 1.00 N ATOM 1142 CA GLU A 73 19.700 13.022 -5.874 1.00 1.00 C ATOM 1143 C GLU A 73 18.675 11.928 -6.114 1.00 1.00 C ATOM 1144 O GLU A 73 18.041 11.876 -7.154 1.00 1.00 O ATOM 1145 CB GLU A 73 21.083 12.546 -6.317 1.00 1.00 C ATOM 1146 CG GLU A 73 22.084 13.701 -6.200 1.00 1.00 C ATOM 1147 CD GLU A 73 21.758 14.786 -7.222 1.00 1.00 C ATOM 1148 OE1 GLU A 73 21.639 14.455 -8.390 1.00 1.00 O ATOM 1149 OE2 GLU A 73 21.621 15.930 -6.819 1.00 1.00 O ATOM 0 H GLU A 73 20.530 13.035 -3.943 1.00 1.00 H new ATOM 0 HA GLU A 73 19.417 13.897 -6.459 1.00 1.00 H new ATOM 0 HB2 GLU A 73 21.405 11.708 -5.700 1.00 1.00 H new ATOM 0 HB3 GLU A 73 21.044 12.188 -7.346 1.00 1.00 H new ATOM 0 HG2 GLU A 73 22.053 14.118 -5.193 1.00 1.00 H new ATOM 0 HG3 GLU A 73 23.097 13.332 -6.361 1.00 1.00 H new ATOM 1156 N LEU A 74 18.538 11.026 -5.161 1.00 1.00 N ATOM 1157 CA LEU A 74 17.595 9.922 -5.292 1.00 1.00 C ATOM 1158 C LEU A 74 16.165 10.411 -5.233 1.00 1.00 C ATOM 1159 O LEU A 74 15.302 9.887 -5.928 1.00 1.00 O ATOM 1160 CB LEU A 74 17.805 8.905 -4.157 1.00 1.00 C ATOM 1161 CG LEU A 74 19.049 8.057 -4.446 1.00 1.00 C ATOM 1162 CD1 LEU A 74 20.284 8.975 -4.536 1.00 1.00 C ATOM 1163 CD2 LEU A 74 19.245 7.028 -3.327 1.00 1.00 C ATOM 0 H LEU A 74 19.065 11.032 -4.288 1.00 1.00 H new ATOM 0 HA LEU A 74 17.776 9.454 -6.259 1.00 1.00 H new ATOM 0 HB2 LEU A 74 17.921 9.425 -3.206 1.00 1.00 H new ATOM 0 HB3 LEU A 74 16.929 8.263 -4.064 1.00 1.00 H new ATOM 0 HG LEU A 74 18.920 7.532 -5.392 1.00 1.00 H new ATOM 0 HD11 LEU A 74 21.170 8.374 -4.741 1.00 1.00 H new ATOM 0 HD12 LEU A 74 20.142 9.698 -5.339 1.00 1.00 H new ATOM 0 HD13 LEU A 74 20.415 9.503 -3.591 1.00 1.00 H new ATOM 0 HD21 LEU A 74 20.130 6.427 -3.536 1.00 1.00 H new ATOM 0 HD22 LEU A 74 19.374 7.545 -2.376 1.00 1.00 H new ATOM 0 HD23 LEU A 74 18.371 6.379 -3.272 1.00 1.00 H new ATOM 1175 N LEU A 75 15.913 11.397 -4.382 1.00 1.00 N ATOM 1176 CA LEU A 75 14.564 11.936 -4.225 1.00 1.00 C ATOM 1177 C LEU A 75 13.822 12.019 -5.557 1.00 1.00 C ATOM 1178 O LEU A 75 12.805 11.355 -5.742 1.00 1.00 O ATOM 1179 CB LEU A 75 14.623 13.357 -3.580 1.00 1.00 C ATOM 1180 CG LEU A 75 14.223 13.303 -2.111 1.00 1.00 C ATOM 1181 CD1 LEU A 75 15.317 12.585 -1.316 1.00 1.00 C ATOM 1182 CD2 LEU A 75 14.044 14.723 -1.585 1.00 1.00 C ATOM 0 H LEU A 75 16.618 11.839 -3.792 1.00 1.00 H new ATOM 0 HA LEU A 75 14.019 11.252 -3.574 1.00 1.00 H new ATOM 0 HB2 LEU A 75 15.631 13.761 -3.672 1.00 1.00 H new ATOM 0 HB3 LEU A 75 13.958 14.033 -4.118 1.00 1.00 H new ATOM 0 HG LEU A 75 13.284 12.760 -2.002 1.00 1.00 H new ATOM 0 HD11 LEU A 75 15.035 12.544 -0.264 1.00 1.00 H new ATOM 0 HD12 LEU A 75 15.439 11.572 -1.699 1.00 1.00 H new ATOM 0 HD13 LEU A 75 16.257 13.127 -1.419 1.00 1.00 H new ATOM 0 HD21 LEU A 75 13.758 14.688 -0.534 1.00 1.00 H new ATOM 0 HD22 LEU A 75 14.981 15.270 -1.688 1.00 1.00 H new ATOM 0 HD23 LEU A 75 13.265 15.227 -2.157 1.00 1.00 H new ATOM 1194 N PRO A 76 14.306 12.817 -6.465 1.00 1.00 N ATOM 1195 CA PRO A 76 13.664 12.997 -7.789 1.00 1.00 C ATOM 1196 C PRO A 76 13.625 11.710 -8.598 1.00 1.00 C ATOM 1197 O PRO A 76 12.772 11.546 -9.474 1.00 1.00 O ATOM 1198 CB PRO A 76 14.556 14.059 -8.478 1.00 1.00 C ATOM 1199 CG PRO A 76 15.880 13.951 -7.796 1.00 1.00 C ATOM 1200 CD PRO A 76 15.545 13.626 -6.358 1.00 1.00 C ATOM 0 HA PRO A 76 12.620 13.296 -7.700 1.00 1.00 H new ATOM 0 HB2 PRO A 76 14.646 13.866 -9.547 1.00 1.00 H new ATOM 0 HB3 PRO A 76 14.136 15.059 -8.369 1.00 1.00 H new ATOM 0 HG2 PRO A 76 16.495 13.171 -8.246 1.00 1.00 H new ATOM 0 HG3 PRO A 76 16.441 14.882 -7.871 1.00 1.00 H new ATOM 0 HD2 PRO A 76 16.348 13.069 -5.875 1.00 1.00 H new ATOM 0 HD3 PRO A 76 15.385 14.529 -5.769 1.00 1.00 H new ATOM 1208 N GLN A 77 14.567 10.816 -8.332 1.00 1.00 N ATOM 1209 CA GLN A 77 14.639 9.555 -9.064 1.00 1.00 C ATOM 1210 C GLN A 77 13.570 8.577 -8.589 1.00 1.00 C ATOM 1211 O GLN A 77 12.797 8.053 -9.389 1.00 1.00 O ATOM 1212 CB GLN A 77 16.022 8.930 -8.881 1.00 1.00 C ATOM 1213 CG GLN A 77 17.089 9.835 -9.504 1.00 1.00 C ATOM 1214 CD GLN A 77 18.477 9.245 -9.275 1.00 1.00 C ATOM 1215 OE1 GLN A 77 18.604 8.136 -8.756 1.00 1.00 O ATOM 1216 NE2 GLN A 77 19.534 9.927 -9.629 1.00 1.00 N ATOM 0 H GLN A 77 15.288 10.937 -7.621 1.00 1.00 H new ATOM 0 HA GLN A 77 14.464 9.766 -10.119 1.00 1.00 H new ATOM 0 HB2 GLN A 77 16.228 8.786 -7.820 1.00 1.00 H new ATOM 0 HB3 GLN A 77 16.050 7.945 -9.347 1.00 1.00 H new ATOM 0 HG2 GLN A 77 16.904 9.945 -10.573 1.00 1.00 H new ATOM 0 HG3 GLN A 77 17.032 10.832 -9.066 1.00 1.00 H new ATOM 0 HE21 GLN A 77 19.428 10.846 -10.059 1.00 1.00 H new ATOM 0 HE22 GLN A 77 20.465 9.540 -9.475 1.00 1.00 H new ATOM 1225 N ILE A 78 13.551 8.325 -7.287 1.00 1.00 N ATOM 1226 CA ILE A 78 12.587 7.391 -6.715 1.00 1.00 C ATOM 1227 C ILE A 78 11.178 7.964 -6.768 1.00 1.00 C ATOM 1228 O ILE A 78 10.228 7.255 -7.078 1.00 1.00 O ATOM 1229 CB ILE A 78 12.978 7.069 -5.268 1.00 1.00 C ATOM 1230 CG1 ILE A 78 12.851 8.335 -4.396 1.00 1.00 C ATOM 1231 CG2 ILE A 78 14.435 6.558 -5.235 1.00 1.00 C ATOM 1232 CD1 ILE A 78 13.460 8.091 -3.016 1.00 1.00 C ATOM 0 H ILE A 78 14.186 8.749 -6.611 1.00 1.00 H new ATOM 0 HA ILE A 78 12.598 6.473 -7.303 1.00 1.00 H new ATOM 0 HB ILE A 78 12.312 6.300 -4.876 1.00 1.00 H new ATOM 0 HG12 ILE A 78 13.355 9.171 -4.881 1.00 1.00 H new ATOM 0 HG13 ILE A 78 11.801 8.611 -4.294 1.00 1.00 H new ATOM 0 HG21 ILE A 78 14.717 6.328 -4.207 1.00 1.00 H new ATOM 0 HG22 ILE A 78 14.519 5.658 -5.844 1.00 1.00 H new ATOM 0 HG23 ILE A 78 15.099 7.327 -5.630 1.00 1.00 H new ATOM 0 HD11 ILE A 78 13.363 8.993 -2.411 1.00 1.00 H new ATOM 0 HD12 ILE A 78 12.937 7.269 -2.528 1.00 1.00 H new ATOM 0 HD13 ILE A 78 14.515 7.837 -3.123 1.00 1.00 H new ATOM 1244 N GLU A 79 11.055 9.245 -6.434 1.00 1.00 N ATOM 1245 CA GLU A 79 9.753 9.898 -6.416 1.00 1.00 C ATOM 1246 C GLU A 79 9.029 9.661 -7.735 1.00 1.00 C ATOM 1247 O GLU A 79 7.812 9.503 -7.763 1.00 1.00 O ATOM 1248 CB GLU A 79 9.928 11.400 -6.182 1.00 1.00 C ATOM 1249 CG GLU A 79 8.554 12.066 -6.071 1.00 1.00 C ATOM 1250 CD GLU A 79 8.712 13.539 -5.714 1.00 1.00 C ATOM 1251 OE1 GLU A 79 9.782 13.908 -5.257 1.00 1.00 O ATOM 1252 OE2 GLU A 79 7.763 14.279 -5.907 1.00 1.00 O ATOM 0 H GLU A 79 11.836 9.847 -6.174 1.00 1.00 H new ATOM 0 HA GLU A 79 9.158 9.476 -5.606 1.00 1.00 H new ATOM 0 HB2 GLU A 79 10.501 11.572 -5.271 1.00 1.00 H new ATOM 0 HB3 GLU A 79 10.493 11.843 -7.002 1.00 1.00 H new ATOM 0 HG2 GLU A 79 8.017 11.968 -7.014 1.00 1.00 H new ATOM 0 HG3 GLU A 79 7.957 11.562 -5.311 1.00 1.00 H new ATOM 1259 N ASN A 80 9.790 9.631 -8.822 1.00 1.00 N ATOM 1260 CA ASN A 80 9.213 9.403 -10.138 1.00 1.00 C ATOM 1261 C ASN A 80 8.651 7.990 -10.236 1.00 1.00 C ATOM 1262 O ASN A 80 7.632 7.758 -10.880 1.00 1.00 O ATOM 1263 CB ASN A 80 10.274 9.618 -11.221 1.00 1.00 C ATOM 1264 CG ASN A 80 10.710 11.081 -11.241 1.00 1.00 C ATOM 1265 OD1 ASN A 80 11.660 11.434 -11.938 1.00 1.00 O ATOM 1266 ND2 ASN A 80 10.075 11.954 -10.507 1.00 1.00 N ATOM 0 H ASN A 80 10.802 9.761 -8.818 1.00 1.00 H new ATOM 0 HA ASN A 80 8.400 10.114 -10.288 1.00 1.00 H new ATOM 0 HB2 ASN A 80 11.134 8.976 -11.032 1.00 1.00 H new ATOM 0 HB3 ASN A 80 9.874 9.336 -12.195 1.00 1.00 H new ATOM 0 HD21 ASN A 80 10.366 12.932 -10.511 1.00 1.00 H new ATOM 0 HD22 ASN A 80 9.288 11.659 -9.930 1.00 1.00 H new ATOM 1273 N THR A 81 9.334 7.036 -9.611 1.00 1.00 N ATOM 1274 CA THR A 81 8.903 5.651 -9.658 1.00 1.00 C ATOM 1275 C THR A 81 7.483 5.503 -9.131 1.00 1.00 C ATOM 1276 O THR A 81 6.649 4.863 -9.760 1.00 1.00 O ATOM 1277 CB THR A 81 9.840 4.785 -8.809 1.00 1.00 C ATOM 1278 OG1 THR A 81 11.184 5.060 -9.163 1.00 1.00 O ATOM 1279 CG2 THR A 81 9.538 3.302 -9.049 1.00 1.00 C ATOM 0 H THR A 81 10.183 7.199 -9.070 1.00 1.00 H new ATOM 0 HA THR A 81 8.931 5.325 -10.698 1.00 1.00 H new ATOM 0 HB THR A 81 9.686 5.014 -7.755 1.00 1.00 H new ATOM 0 HG1 THR A 81 11.365 4.709 -10.060 1.00 1.00 H new ATOM 0 HG21 THR A 81 10.207 2.692 -8.443 1.00 1.00 H new ATOM 0 HG22 THR A 81 8.505 3.092 -8.773 1.00 1.00 H new ATOM 0 HG23 THR A 81 9.687 3.066 -10.103 1.00 1.00 H new ATOM 1287 N PHE A 82 7.212 6.118 -7.984 1.00 1.00 N ATOM 1288 CA PHE A 82 5.886 6.065 -7.387 1.00 1.00 C ATOM 1289 C PHE A 82 4.886 6.889 -8.198 1.00 1.00 C ATOM 1290 O PHE A 82 3.703 6.564 -8.264 1.00 1.00 O ATOM 1291 CB PHE A 82 5.939 6.592 -5.955 1.00 1.00 C ATOM 1292 CG PHE A 82 6.881 5.731 -5.137 1.00 1.00 C ATOM 1293 CD1 PHE A 82 6.425 4.540 -4.564 1.00 1.00 C ATOM 1294 CD2 PHE A 82 8.210 6.127 -4.956 1.00 1.00 C ATOM 1295 CE1 PHE A 82 7.298 3.745 -3.810 1.00 1.00 C ATOM 1296 CE2 PHE A 82 9.084 5.336 -4.203 1.00 1.00 C ATOM 1297 CZ PHE A 82 8.628 4.144 -3.629 1.00 1.00 C ATOM 0 H PHE A 82 7.894 6.658 -7.451 1.00 1.00 H new ATOM 0 HA PHE A 82 5.557 5.026 -7.384 1.00 1.00 H new ATOM 0 HB2 PHE A 82 6.278 7.628 -5.949 1.00 1.00 H new ATOM 0 HB3 PHE A 82 4.942 6.580 -5.514 1.00 1.00 H new ATOM 0 HD1 PHE A 82 5.399 4.233 -4.703 1.00 1.00 H new ATOM 0 HD2 PHE A 82 8.563 7.047 -5.399 1.00 1.00 H new ATOM 0 HE1 PHE A 82 6.945 2.825 -3.368 1.00 1.00 H new ATOM 0 HE2 PHE A 82 10.110 5.645 -4.065 1.00 1.00 H new ATOM 0 HZ PHE A 82 9.301 3.532 -3.047 1.00 1.00 H new ATOM 1307 N ALA A 83 5.365 7.971 -8.789 1.00 1.00 N ATOM 1308 CA ALA A 83 4.502 8.843 -9.575 1.00 1.00 C ATOM 1309 C ALA A 83 3.915 8.093 -10.762 1.00 1.00 C ATOM 1310 O ALA A 83 2.715 8.168 -11.028 1.00 1.00 O ATOM 1311 CB ALA A 83 5.293 10.053 -10.076 1.00 1.00 C ATOM 0 H ALA A 83 6.340 8.267 -8.741 1.00 1.00 H new ATOM 0 HA ALA A 83 3.687 9.181 -8.935 1.00 1.00 H new ATOM 0 HB1 ALA A 83 4.639 10.698 -10.662 1.00 1.00 H new ATOM 0 HB2 ALA A 83 5.684 10.610 -9.225 1.00 1.00 H new ATOM 0 HB3 ALA A 83 6.121 9.714 -10.699 1.00 1.00 H new ATOM 1317 N LYS A 84 4.770 7.385 -11.495 1.00 1.00 N ATOM 1318 CA LYS A 84 4.319 6.642 -12.676 1.00 1.00 C ATOM 1319 C LYS A 84 3.750 5.290 -12.277 1.00 1.00 C ATOM 1320 O LYS A 84 3.145 4.605 -13.102 1.00 1.00 O ATOM 1321 CB LYS A 84 5.506 6.445 -13.642 1.00 1.00 C ATOM 1322 CG LYS A 84 5.711 7.706 -14.491 1.00 1.00 C ATOM 1323 CD LYS A 84 5.914 8.925 -13.576 1.00 1.00 C ATOM 1324 CE LYS A 84 6.421 10.103 -14.391 1.00 1.00 C ATOM 1325 NZ LYS A 84 5.378 10.515 -15.373 1.00 1.00 N ATOM 0 H LYS A 84 5.768 7.308 -11.298 1.00 1.00 H new ATOM 0 HA LYS A 84 3.533 7.213 -13.170 1.00 1.00 H new ATOM 0 HB2 LYS A 84 6.412 6.227 -13.077 1.00 1.00 H new ATOM 0 HB3 LYS A 84 5.320 5.588 -14.289 1.00 1.00 H new ATOM 0 HG2 LYS A 84 6.577 7.580 -15.141 1.00 1.00 H new ATOM 0 HG3 LYS A 84 4.847 7.865 -15.137 1.00 1.00 H new ATOM 0 HD2 LYS A 84 4.974 9.186 -13.089 1.00 1.00 H new ATOM 0 HD3 LYS A 84 6.626 8.684 -12.787 1.00 1.00 H new ATOM 0 HE2 LYS A 84 6.665 10.937 -13.732 1.00 1.00 H new ATOM 0 HE3 LYS A 84 7.339 9.830 -14.912 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 5.651 11.418 -15.811 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 5.287 9.786 -16.110 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 4.467 10.629 -14.885 1.00 1.00 H new ATOM 1339 N SER A 85 3.947 4.922 -11.027 1.00 1.00 N ATOM 1340 CA SER A 85 3.443 3.641 -10.538 1.00 1.00 C ATOM 1341 C SER A 85 1.923 3.584 -10.653 1.00 1.00 C ATOM 1342 O SER A 85 1.363 2.594 -11.122 1.00 1.00 O ATOM 1343 CB SER A 85 3.854 3.433 -9.082 1.00 1.00 C ATOM 1344 OG SER A 85 3.363 2.186 -8.623 1.00 1.00 O ATOM 0 H SER A 85 4.446 5.480 -10.333 1.00 1.00 H new ATOM 0 HA SER A 85 3.874 2.849 -11.150 1.00 1.00 H new ATOM 0 HB2 SER A 85 4.940 3.463 -8.992 1.00 1.00 H new ATOM 0 HB3 SER A 85 3.461 4.240 -8.464 1.00 1.00 H new ATOM 0 HG SER A 85 3.629 2.053 -7.689 1.00 1.00 H new ATOM 1350 N ASN A 86 1.259 4.651 -10.216 1.00 1.00 N ATOM 1351 CA ASN A 86 -0.199 4.707 -10.272 1.00 1.00 C ATOM 1352 C ASN A 86 -0.692 4.418 -11.688 1.00 1.00 C ATOM 1353 O ASN A 86 -0.326 5.163 -12.582 1.00 1.00 O ATOM 1354 CB ASN A 86 -0.685 6.089 -9.833 1.00 1.00 C ATOM 1355 CG ASN A 86 -2.206 6.098 -9.726 1.00 1.00 C ATOM 1356 OD1 ASN A 86 -2.830 5.039 -9.646 1.00 1.00 O ATOM 1357 ND2 ASN A 86 -2.844 7.236 -9.716 1.00 1.00 N ATOM 0 H ASN A 86 1.702 5.481 -9.823 1.00 1.00 H new ATOM 0 HA ASN A 86 -0.600 3.950 -9.598 1.00 1.00 H new ATOM 0 HB2 ASN A 86 -0.243 6.350 -8.871 1.00 1.00 H new ATOM 0 HB3 ASN A 86 -0.358 6.843 -10.549 1.00 1.00 H new ATOM 0 HD21 ASN A 86 -3.861 7.250 -9.642 1.00 1.00 H new ATOM 0 HD22 ASN A 86 -2.326 8.112 -9.782 1.00 1.00 H new TER 1364 ASN A 86