USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 819 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 VAL N :NH3+ -117:sc= -1.63 (180deg=-2.1) USER MOD Single : A 2 SER OG : rot 26:sc= 0.0187 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot -54:sc= 0.025 USER MOD Single : A 9 TYR OH : rot 174:sc= -2.54 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 144:sc= -2.74! (180deg=-6.52!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 85:sc= -0.308 USER MOD Single : A 22 ASN : amide:sc= -0.183 K(o=-0.18,f=-2.5!) USER MOD Single : A 25 HIS : no HD1:sc= -5.13 K(o=-5.1,f=-3.3!) USER MOD Single : A 28 MET CE :methyl 165:sc= -4.3 (180deg=-5.37!) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0.381 K(o=0.38,f=-0.79) USER MOD Single : A 54 SER OG : rot 53:sc= -1.73 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 101:sc= 0.195 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc=-0.00447 K(o=-0.0045,f=-1.5!) USER MOD Single : A 69 ASN : amide:sc= -0.0776 K(o=-0.078,f=-2.2!) USER MOD Single : A 70 SER OG : rot -150:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0.00829 USER MOD Single : A 84 ASN : amide:sc= -1.08 K(o=-1.1,f=-12!) USER MOD Single : A 86 ASN : amide:sc= -3.99 K(o=-4,f=-12!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 84:sc= -0.739 USER MOD Single : A 92 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0368) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.00722 USER MOD Single : A 104 ASN : amide:sc= 0.935 K(o=0.94,f=-0.34) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -0.391 X(o=-0.39,f=-0.52) USER MOD Single : A 113 SER OG : rot 180:sc= -0.0992 USER MOD Single : A 114 ASN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 117 ASN : amide:sc= -2.06 K(o=-2.1,f=-2.8!) USER MOD Single : A 120 ASN : amide:sc= -0.347 K(o=-0.35,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 90.886 -3.477 13.588 1.00 0.00 N ATOM 2 CA VAL A 1 90.770 -3.807 12.138 1.00 0.00 C ATOM 3 C VAL A 1 92.027 -4.517 11.631 1.00 0.00 C ATOM 4 O VAL A 1 93.135 -4.246 12.064 1.00 0.00 O ATOM 5 CB VAL A 1 90.585 -2.467 11.409 1.00 0.00 C ATOM 6 CG1 VAL A 1 89.287 -1.802 11.867 1.00 0.00 C ATOM 7 CG2 VAL A 1 91.755 -1.535 11.703 1.00 0.00 C ATOM 0 H1 VAL A 1 90.154 -3.989 14.120 1.00 0.00 H new ATOM 0 H2 VAL A 1 91.826 -3.758 13.934 1.00 0.00 H new ATOM 0 H3 VAL A 1 90.760 -2.453 13.722 1.00 0.00 H new ATOM 0 HA VAL A 1 89.934 -4.483 11.959 1.00 0.00 H new ATOM 0 HB VAL A 1 90.542 -2.660 10.337 1.00 0.00 H new ATOM 0 HG11 VAL A 1 89.161 -0.852 11.347 1.00 0.00 H new ATOM 0 HG12 VAL A 1 88.444 -2.455 11.640 1.00 0.00 H new ATOM 0 HG13 VAL A 1 89.329 -1.624 12.942 1.00 0.00 H new ATOM 0 HG21 VAL A 1 91.608 -0.590 11.179 1.00 0.00 H new ATOM 0 HG22 VAL A 1 91.812 -1.350 12.776 1.00 0.00 H new ATOM 0 HG23 VAL A 1 92.682 -1.997 11.365 1.00 0.00 H new ATOM 17 N SER A 2 91.849 -5.436 10.724 1.00 0.00 N ATOM 18 CA SER A 2 93.007 -6.186 10.160 1.00 0.00 C ATOM 19 C SER A 2 93.198 -5.797 8.693 1.00 0.00 C ATOM 20 O SER A 2 92.248 -5.649 7.950 1.00 0.00 O ATOM 21 CB SER A 2 92.631 -7.662 10.284 1.00 0.00 C ATOM 22 OG SER A 2 91.501 -7.929 9.464 1.00 0.00 O ATOM 0 H SER A 2 90.940 -5.703 10.345 1.00 0.00 H new ATOM 0 HA SER A 2 93.941 -5.969 10.679 1.00 0.00 H new ATOM 0 HB2 SER A 2 93.470 -8.289 9.983 1.00 0.00 H new ATOM 0 HB3 SER A 2 92.407 -7.906 11.322 1.00 0.00 H new ATOM 0 HG SER A 2 91.472 -7.284 8.727 1.00 0.00 H new ATOM 28 N ILE A 3 94.426 -5.628 8.282 1.00 0.00 N ATOM 29 CA ILE A 3 94.707 -5.241 6.868 1.00 0.00 C ATOM 30 C ILE A 3 95.324 -6.412 6.106 1.00 0.00 C ATOM 31 O ILE A 3 96.075 -7.192 6.652 1.00 0.00 O ATOM 32 CB ILE A 3 95.700 -4.076 6.952 1.00 0.00 C ATOM 33 CG1 ILE A 3 96.969 -4.506 7.697 1.00 0.00 C ATOM 34 CG2 ILE A 3 95.050 -2.907 7.694 1.00 0.00 C ATOM 35 CD1 ILE A 3 98.081 -3.493 7.425 1.00 0.00 C ATOM 0 H ILE A 3 95.253 -5.742 8.869 1.00 0.00 H new ATOM 0 HA ILE A 3 93.797 -4.961 6.338 1.00 0.00 H new ATOM 0 HB ILE A 3 95.970 -3.771 5.941 1.00 0.00 H new ATOM 0 HG12 ILE A 3 96.773 -4.569 8.767 1.00 0.00 H new ATOM 0 HG13 ILE A 3 97.278 -5.499 7.370 1.00 0.00 H new ATOM 0 HG21 ILE A 3 95.755 -2.078 7.755 1.00 0.00 H new ATOM 0 HG22 ILE A 3 94.157 -2.586 7.157 1.00 0.00 H new ATOM 0 HG23 ILE A 3 94.774 -3.223 8.700 1.00 0.00 H new ATOM 0 HD11 ILE A 3 98.985 -3.795 7.953 1.00 0.00 H new ATOM 0 HD12 ILE A 3 98.282 -3.452 6.355 1.00 0.00 H new ATOM 0 HD13 ILE A 3 97.769 -2.508 7.773 1.00 0.00 H new ATOM 47 N SER A 4 95.009 -6.533 4.846 1.00 0.00 N ATOM 48 CA SER A 4 95.568 -7.640 4.022 1.00 0.00 C ATOM 49 C SER A 4 95.816 -7.123 2.608 1.00 0.00 C ATOM 50 O SER A 4 95.662 -5.944 2.341 1.00 0.00 O ATOM 51 CB SER A 4 94.494 -8.727 4.016 1.00 0.00 C ATOM 52 OG SER A 4 93.227 -8.133 3.771 1.00 0.00 O ATOM 0 H SER A 4 94.380 -5.904 4.347 1.00 0.00 H new ATOM 0 HA SER A 4 96.512 -8.022 4.411 1.00 0.00 H new ATOM 0 HB2 SER A 4 94.715 -9.469 3.249 1.00 0.00 H new ATOM 0 HB3 SER A 4 94.484 -9.250 4.972 1.00 0.00 H new ATOM 0 HG SER A 4 92.536 -8.828 3.765 1.00 0.00 H new ATOM 58 N TYR A 5 96.182 -7.985 1.699 1.00 0.00 N ATOM 59 CA TYR A 5 96.422 -7.530 0.299 1.00 0.00 C ATOM 60 C TYR A 5 95.879 -8.554 -0.704 1.00 0.00 C ATOM 61 O TYR A 5 95.998 -9.748 -0.506 1.00 0.00 O ATOM 62 CB TYR A 5 97.944 -7.389 0.159 1.00 0.00 C ATOM 63 CG TYR A 5 98.636 -8.673 0.570 1.00 0.00 C ATOM 64 CD1 TYR A 5 99.022 -8.861 1.903 1.00 0.00 C ATOM 65 CD2 TYR A 5 98.896 -9.668 -0.380 1.00 0.00 C ATOM 66 CE1 TYR A 5 99.664 -10.040 2.285 1.00 0.00 C ATOM 67 CE2 TYR A 5 99.538 -10.851 0.006 1.00 0.00 C ATOM 68 CZ TYR A 5 99.924 -11.037 1.339 1.00 0.00 C ATOM 69 OH TYR A 5 100.558 -12.202 1.719 1.00 0.00 O ATOM 0 H TYR A 5 96.325 -8.981 1.864 1.00 0.00 H new ATOM 0 HA TYR A 5 95.913 -6.588 0.093 1.00 0.00 H new ATOM 0 HB2 TYR A 5 98.199 -7.145 -0.872 1.00 0.00 H new ATOM 0 HB3 TYR A 5 98.297 -6.564 0.778 1.00 0.00 H new ATOM 0 HD1 TYR A 5 98.823 -8.093 2.636 1.00 0.00 H new ATOM 0 HD2 TYR A 5 98.602 -9.523 -1.409 1.00 0.00 H new ATOM 0 HE1 TYR A 5 99.961 -10.183 3.314 1.00 0.00 H new ATOM 0 HE2 TYR A 5 99.736 -11.621 -0.725 1.00 0.00 H new ATOM 0 HH TYR A 5 101.399 -11.984 2.173 1.00 0.00 H new ATOM 79 N ASP A 6 95.296 -8.092 -1.790 1.00 0.00 N ATOM 80 CA ASP A 6 94.760 -9.041 -2.813 1.00 0.00 C ATOM 81 C ASP A 6 95.466 -8.789 -4.161 1.00 0.00 C ATOM 82 O ASP A 6 95.886 -7.682 -4.428 1.00 0.00 O ATOM 83 CB ASP A 6 93.263 -8.734 -2.906 1.00 0.00 C ATOM 84 CG ASP A 6 92.466 -10.040 -2.885 1.00 0.00 C ATOM 85 OD1 ASP A 6 92.754 -10.873 -2.041 1.00 0.00 O1- ATOM 86 OD2 ASP A 6 91.579 -10.184 -3.709 1.00 0.00 O ATOM 0 H ASP A 6 95.171 -7.103 -2.007 1.00 0.00 H new ATOM 0 HA ASP A 6 94.929 -10.086 -2.551 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.960 -8.098 -2.074 1.00 0.00 H new ATOM 0 HB3 ASP A 6 93.051 -8.182 -3.822 1.00 0.00 H new ATOM 91 N PRO A 7 95.603 -9.824 -4.965 1.00 0.00 N ATOM 92 CA PRO A 7 96.298 -9.677 -6.269 1.00 0.00 C ATOM 93 C PRO A 7 95.375 -9.129 -7.371 1.00 0.00 C ATOM 94 O PRO A 7 95.838 -8.792 -8.446 1.00 0.00 O ATOM 95 CB PRO A 7 96.722 -11.103 -6.603 1.00 0.00 C ATOM 96 CG PRO A 7 95.761 -11.995 -5.876 1.00 0.00 C ATOM 97 CD PRO A 7 95.143 -11.204 -4.746 1.00 0.00 C ATOM 0 HA PRO A 7 97.124 -8.968 -6.209 1.00 0.00 H new ATOM 0 HB2 PRO A 7 96.684 -11.281 -7.678 1.00 0.00 H new ATOM 0 HB3 PRO A 7 97.747 -11.291 -6.285 1.00 0.00 H new ATOM 0 HG2 PRO A 7 94.988 -12.354 -6.555 1.00 0.00 H new ATOM 0 HG3 PRO A 7 96.277 -12.873 -5.487 1.00 0.00 H new ATOM 0 HD2 PRO A 7 94.055 -11.267 -4.766 1.00 0.00 H new ATOM 0 HD3 PRO A 7 95.466 -11.580 -3.775 1.00 0.00 H new ATOM 105 N ILE A 8 94.087 -9.054 -7.137 1.00 0.00 N ATOM 106 CA ILE A 8 93.164 -8.547 -8.206 1.00 0.00 C ATOM 107 C ILE A 8 93.352 -7.041 -8.449 1.00 0.00 C ATOM 108 O ILE A 8 93.292 -6.589 -9.579 1.00 0.00 O ATOM 109 CB ILE A 8 91.736 -8.867 -7.725 1.00 0.00 C ATOM 110 CG1 ILE A 8 91.401 -8.069 -6.456 1.00 0.00 C ATOM 111 CG2 ILE A 8 91.608 -10.370 -7.434 1.00 0.00 C ATOM 112 CD1 ILE A 8 89.928 -8.274 -6.108 1.00 0.00 C ATOM 0 H ILE A 8 93.636 -9.319 -6.261 1.00 0.00 H new ATOM 0 HA ILE A 8 93.373 -9.026 -9.162 1.00 0.00 H new ATOM 0 HB ILE A 8 91.036 -8.586 -8.512 1.00 0.00 H new ATOM 0 HG12 ILE A 8 92.031 -8.396 -5.629 1.00 0.00 H new ATOM 0 HG13 ILE A 8 91.606 -7.010 -6.613 1.00 0.00 H new ATOM 0 HG21 ILE A 8 90.596 -10.590 -7.094 1.00 0.00 H new ATOM 0 HG22 ILE A 8 91.817 -10.936 -8.342 1.00 0.00 H new ATOM 0 HG23 ILE A 8 92.320 -10.652 -6.659 1.00 0.00 H new ATOM 0 HD11 ILE A 8 89.685 -7.710 -5.208 1.00 0.00 H new ATOM 0 HD12 ILE A 8 89.307 -7.926 -6.933 1.00 0.00 H new ATOM 0 HD13 ILE A 8 89.739 -9.333 -5.934 1.00 0.00 H new ATOM 124 N TYR A 9 93.542 -6.262 -7.416 1.00 0.00 N ATOM 125 CA TYR A 9 93.690 -4.789 -7.620 1.00 0.00 C ATOM 126 C TYR A 9 95.045 -4.431 -8.234 1.00 0.00 C ATOM 127 O TYR A 9 95.874 -3.759 -7.655 1.00 0.00 O ATOM 128 CB TYR A 9 93.460 -4.134 -6.264 1.00 0.00 C ATOM 129 CG TYR A 9 92.009 -4.304 -5.901 1.00 0.00 C ATOM 130 CD1 TYR A 9 91.021 -3.731 -6.709 1.00 0.00 C ATOM 131 CD2 TYR A 9 91.648 -5.044 -4.770 1.00 0.00 C ATOM 132 CE1 TYR A 9 89.671 -3.896 -6.387 1.00 0.00 C ATOM 133 CE2 TYR A 9 90.298 -5.210 -4.448 1.00 0.00 C ATOM 134 CZ TYR A 9 89.311 -4.637 -5.257 1.00 0.00 C ATOM 135 OH TYR A 9 87.982 -4.803 -4.942 1.00 0.00 O ATOM 0 H TYR A 9 93.601 -6.578 -6.448 1.00 0.00 H new ATOM 0 HA TYR A 9 92.959 -4.419 -8.339 1.00 0.00 H new ATOM 0 HB2 TYR A 9 94.097 -4.592 -5.508 1.00 0.00 H new ATOM 0 HB3 TYR A 9 93.721 -3.076 -6.303 1.00 0.00 H new ATOM 0 HD1 TYR A 9 91.302 -3.161 -7.582 1.00 0.00 H new ATOM 0 HD2 TYR A 9 92.411 -5.486 -4.147 1.00 0.00 H new ATOM 0 HE1 TYR A 9 88.908 -3.452 -7.009 1.00 0.00 H new ATOM 0 HE2 TYR A 9 90.017 -5.780 -3.575 1.00 0.00 H new ATOM 0 HH TYR A 9 87.900 -5.421 -4.186 1.00 0.00 H new ATOM 145 N ALA A 10 95.202 -4.844 -9.466 1.00 0.00 N ATOM 146 CA ALA A 10 96.418 -4.529 -10.269 1.00 0.00 C ATOM 147 C ALA A 10 96.037 -3.462 -11.299 1.00 0.00 C ATOM 148 O ALA A 10 94.884 -3.099 -11.436 1.00 0.00 O ATOM 149 CB ALA A 10 96.841 -5.837 -10.939 1.00 0.00 C ATOM 0 H ALA A 10 94.511 -5.406 -9.963 1.00 0.00 H new ATOM 0 HA ALA A 10 97.243 -4.142 -9.670 1.00 0.00 H new ATOM 0 HB1 ALA A 10 97.732 -5.665 -11.543 1.00 0.00 H new ATOM 0 HB2 ALA A 10 97.060 -6.583 -10.175 1.00 0.00 H new ATOM 0 HB3 ALA A 10 96.034 -6.197 -11.577 1.00 0.00 H new ATOM 155 N ALA A 11 97.015 -2.902 -11.961 1.00 0.00 N ATOM 156 CA ALA A 11 96.747 -1.783 -12.919 1.00 0.00 C ATOM 157 C ALA A 11 95.764 -2.153 -14.034 1.00 0.00 C ATOM 158 O ALA A 11 95.014 -1.298 -14.477 1.00 0.00 O ATOM 159 CB ALA A 11 98.112 -1.415 -13.506 1.00 0.00 C ATOM 0 H ALA A 11 97.995 -3.172 -11.880 1.00 0.00 H new ATOM 0 HA ALA A 11 96.271 -0.953 -12.396 1.00 0.00 H new ATOM 0 HB1 ALA A 11 97.993 -0.599 -14.219 1.00 0.00 H new ATOM 0 HB2 ALA A 11 98.780 -1.102 -12.704 1.00 0.00 H new ATOM 0 HB3 ALA A 11 98.535 -2.282 -14.014 1.00 0.00 H new ATOM 165 N ASP A 12 95.759 -3.369 -14.534 1.00 0.00 N ATOM 166 CA ASP A 12 94.813 -3.676 -15.658 1.00 0.00 C ATOM 167 C ASP A 12 93.455 -4.183 -15.154 1.00 0.00 C ATOM 168 O ASP A 12 92.640 -4.649 -15.928 1.00 0.00 O ATOM 169 CB ASP A 12 95.510 -4.725 -16.529 1.00 0.00 C ATOM 170 CG ASP A 12 95.741 -6.016 -15.730 1.00 0.00 C ATOM 171 OD1 ASP A 12 95.773 -5.948 -14.511 1.00 0.00 O1- ATOM 172 OD2 ASP A 12 95.887 -7.053 -16.355 1.00 0.00 O ATOM 0 H ASP A 12 96.350 -4.141 -14.224 1.00 0.00 H new ATOM 0 HA ASP A 12 94.589 -2.772 -16.225 1.00 0.00 H new ATOM 0 HB2 ASP A 12 94.903 -4.938 -17.409 1.00 0.00 H new ATOM 0 HB3 ASP A 12 96.463 -4.335 -16.886 1.00 0.00 H new ATOM 177 N LEU A 13 93.203 -4.093 -13.876 1.00 0.00 N ATOM 178 CA LEU A 13 91.894 -4.563 -13.325 1.00 0.00 C ATOM 179 C LEU A 13 90.773 -3.649 -13.805 1.00 0.00 C ATOM 180 O LEU A 13 90.805 -2.450 -13.596 1.00 0.00 O ATOM 181 CB LEU A 13 92.041 -4.457 -11.804 1.00 0.00 C ATOM 182 CG LEU A 13 90.770 -4.961 -11.115 1.00 0.00 C ATOM 183 CD1 LEU A 13 90.664 -6.482 -11.261 1.00 0.00 C ATOM 184 CD2 LEU A 13 90.821 -4.596 -9.630 1.00 0.00 C ATOM 0 H LEU A 13 93.849 -3.713 -13.185 1.00 0.00 H new ATOM 0 HA LEU A 13 91.651 -5.577 -13.644 1.00 0.00 H new ATOM 0 HB2 LEU A 13 92.899 -5.041 -11.472 1.00 0.00 H new ATOM 0 HB3 LEU A 13 92.231 -3.422 -11.521 1.00 0.00 H new ATOM 0 HG LEU A 13 89.901 -4.496 -11.580 1.00 0.00 H new ATOM 0 HD11 LEU A 13 89.757 -6.833 -10.768 1.00 0.00 H new ATOM 0 HD12 LEU A 13 90.627 -6.744 -12.318 1.00 0.00 H new ATOM 0 HD13 LEU A 13 91.532 -6.953 -10.801 1.00 0.00 H new ATOM 0 HD21 LEU A 13 89.917 -4.953 -9.136 1.00 0.00 H new ATOM 0 HD22 LEU A 13 91.693 -5.061 -9.171 1.00 0.00 H new ATOM 0 HD23 LEU A 13 90.889 -3.513 -9.524 1.00 0.00 H new ATOM 196 N SER A 14 89.782 -4.208 -14.449 1.00 0.00 N ATOM 197 CA SER A 14 88.654 -3.370 -14.944 1.00 0.00 C ATOM 198 C SER A 14 87.820 -2.876 -13.763 1.00 0.00 C ATOM 199 O SER A 14 87.513 -3.613 -12.845 1.00 0.00 O ATOM 200 CB SER A 14 87.837 -4.269 -15.870 1.00 0.00 C ATOM 201 OG SER A 14 88.532 -4.432 -17.099 1.00 0.00 O ATOM 0 H SER A 14 89.706 -5.205 -14.652 1.00 0.00 H new ATOM 0 HA SER A 14 89.000 -2.485 -15.478 1.00 0.00 H new ATOM 0 HB2 SER A 14 87.671 -5.239 -15.401 1.00 0.00 H new ATOM 0 HB3 SER A 14 86.856 -3.830 -16.049 1.00 0.00 H new ATOM 0 HG SER A 14 88.011 -5.010 -17.695 1.00 0.00 H new ATOM 207 N MET A 15 87.478 -1.620 -13.781 1.00 0.00 N ATOM 208 CA MET A 15 86.683 -1.024 -12.663 1.00 0.00 C ATOM 209 C MET A 15 85.241 -1.546 -12.646 1.00 0.00 C ATOM 210 O MET A 15 84.537 -1.382 -11.667 1.00 0.00 O ATOM 211 CB MET A 15 86.716 0.485 -12.910 1.00 0.00 C ATOM 212 CG MET A 15 88.132 0.995 -12.644 1.00 0.00 C ATOM 213 SD MET A 15 88.153 2.801 -12.689 1.00 0.00 S ATOM 214 CE MET A 15 87.226 3.063 -11.161 1.00 0.00 C ATOM 0 H MET A 15 87.716 -0.970 -14.530 1.00 0.00 H new ATOM 0 HA MET A 15 87.101 -1.292 -11.693 1.00 0.00 H new ATOM 0 HB2 MET A 15 86.421 0.706 -13.936 1.00 0.00 H new ATOM 0 HB3 MET A 15 86.004 0.990 -12.258 1.00 0.00 H new ATOM 0 HG2 MET A 15 88.478 0.643 -11.672 1.00 0.00 H new ATOM 0 HG3 MET A 15 88.818 0.596 -13.391 1.00 0.00 H new ATOM 0 HE1 MET A 15 87.616 3.940 -10.645 1.00 0.00 H new ATOM 0 HE2 MET A 15 86.173 3.219 -11.396 1.00 0.00 H new ATOM 0 HE3 MET A 15 87.328 2.188 -10.519 1.00 0.00 H new ATOM 224 N GLY A 16 84.785 -2.160 -13.711 1.00 0.00 N ATOM 225 CA GLY A 16 83.380 -2.672 -13.747 1.00 0.00 C ATOM 226 C GLY A 16 83.216 -3.876 -12.817 1.00 0.00 C ATOM 227 O GLY A 16 82.105 -4.259 -12.493 1.00 0.00 O ATOM 0 H GLY A 16 85.327 -2.329 -14.558 1.00 0.00 H new ATOM 0 HA2 GLY A 16 82.692 -1.881 -13.449 1.00 0.00 H new ATOM 0 HA3 GLY A 16 83.118 -2.956 -14.766 1.00 0.00 H new ATOM 231 N SER A 17 84.294 -4.486 -12.392 1.00 0.00 N ATOM 232 CA SER A 17 84.177 -5.672 -11.497 1.00 0.00 C ATOM 233 C SER A 17 84.169 -5.268 -10.018 1.00 0.00 C ATOM 234 O SER A 17 84.003 -6.110 -9.154 1.00 0.00 O ATOM 235 CB SER A 17 85.407 -6.522 -11.808 1.00 0.00 C ATOM 236 OG SER A 17 85.385 -6.897 -13.179 1.00 0.00 O ATOM 0 H SER A 17 85.248 -4.212 -12.627 1.00 0.00 H new ATOM 0 HA SER A 17 83.243 -6.207 -11.668 1.00 0.00 H new ATOM 0 HB2 SER A 17 86.316 -5.962 -11.587 1.00 0.00 H new ATOM 0 HB3 SER A 17 85.419 -7.410 -11.176 1.00 0.00 H new ATOM 0 HG SER A 17 86.174 -7.441 -13.382 1.00 0.00 H new ATOM 242 N VAL A 18 84.360 -4.006 -9.706 1.00 0.00 N ATOM 243 CA VAL A 18 84.374 -3.594 -8.274 1.00 0.00 C ATOM 244 C VAL A 18 83.045 -2.932 -7.882 1.00 0.00 C ATOM 245 O VAL A 18 82.223 -2.621 -8.723 1.00 0.00 O ATOM 246 CB VAL A 18 85.545 -2.606 -8.166 1.00 0.00 C ATOM 247 CG1 VAL A 18 85.278 -1.355 -9.020 1.00 0.00 C ATOM 248 CG2 VAL A 18 85.727 -2.206 -6.703 1.00 0.00 C ATOM 0 H VAL A 18 84.505 -3.253 -10.379 1.00 0.00 H new ATOM 0 HA VAL A 18 84.493 -4.442 -7.599 1.00 0.00 H new ATOM 0 HB VAL A 18 86.452 -3.085 -8.535 1.00 0.00 H new ATOM 0 HG11 VAL A 18 86.119 -0.667 -8.930 1.00 0.00 H new ATOM 0 HG12 VAL A 18 85.157 -1.646 -10.063 1.00 0.00 H new ATOM 0 HG13 VAL A 18 84.369 -0.864 -8.672 1.00 0.00 H new ATOM 0 HG21 VAL A 18 86.557 -1.504 -6.618 1.00 0.00 H new ATOM 0 HG22 VAL A 18 84.814 -1.734 -6.339 1.00 0.00 H new ATOM 0 HG23 VAL A 18 85.940 -3.093 -6.107 1.00 0.00 H new ATOM 258 N ALA A 19 82.834 -2.723 -6.607 1.00 0.00 N ATOM 259 CA ALA A 19 81.562 -2.086 -6.141 1.00 0.00 C ATOM 260 C ALA A 19 81.409 -0.689 -6.754 1.00 0.00 C ATOM 261 O ALA A 19 80.333 -0.299 -7.158 1.00 0.00 O ATOM 262 CB ALA A 19 81.700 -1.996 -4.618 1.00 0.00 C ATOM 0 H ALA A 19 83.490 -2.967 -5.865 1.00 0.00 H new ATOM 0 HA ALA A 19 80.682 -2.656 -6.438 1.00 0.00 H new ATOM 0 HB1 ALA A 19 80.804 -1.538 -4.198 1.00 0.00 H new ATOM 0 HB2 ALA A 19 81.824 -2.997 -4.204 1.00 0.00 H new ATOM 0 HB3 ALA A 19 82.570 -1.389 -4.367 1.00 0.00 H new ATOM 268 N CYS A 20 82.474 0.064 -6.831 1.00 0.00 N ATOM 269 CA CYS A 20 82.387 1.432 -7.430 1.00 0.00 C ATOM 270 C CYS A 20 82.490 1.329 -8.955 1.00 0.00 C ATOM 271 O CYS A 20 83.513 1.637 -9.540 1.00 0.00 O ATOM 272 CB CYS A 20 83.584 2.188 -6.861 1.00 0.00 C ATOM 273 SG CYS A 20 83.248 2.646 -5.144 1.00 0.00 S ATOM 0 H CYS A 20 83.402 -0.207 -6.505 1.00 0.00 H new ATOM 0 HA CYS A 20 81.447 1.934 -7.201 1.00 0.00 H new ATOM 0 HB2 CYS A 20 84.478 1.567 -6.915 1.00 0.00 H new ATOM 0 HB3 CYS A 20 83.780 3.081 -7.455 1.00 0.00 H new ATOM 278 N SER A 21 81.440 0.885 -9.603 1.00 0.00 N ATOM 279 CA SER A 21 81.472 0.746 -11.089 1.00 0.00 C ATOM 280 C SER A 21 80.764 1.929 -11.750 1.00 0.00 C ATOM 281 O SER A 21 81.398 2.833 -12.262 1.00 0.00 O ATOM 282 CB SER A 21 80.744 -0.567 -11.384 1.00 0.00 C ATOM 283 OG SER A 21 81.691 -1.625 -11.448 1.00 0.00 O ATOM 0 H SER A 21 80.561 0.613 -9.163 1.00 0.00 H new ATOM 0 HA SER A 21 82.489 0.737 -11.481 1.00 0.00 H new ATOM 0 HB2 SER A 21 80.007 -0.770 -10.607 1.00 0.00 H new ATOM 0 HB3 SER A 21 80.201 -0.492 -12.326 1.00 0.00 H new ATOM 0 HG SER A 21 81.871 -1.958 -10.544 1.00 0.00 H new ATOM 289 N ASN A 22 79.456 1.927 -11.743 1.00 0.00 N ATOM 290 CA ASN A 22 78.700 3.048 -12.369 1.00 0.00 C ATOM 291 C ASN A 22 77.645 3.587 -11.403 1.00 0.00 C ATOM 292 O ASN A 22 77.392 3.021 -10.357 1.00 0.00 O ATOM 293 CB ASN A 22 78.035 2.459 -13.612 1.00 0.00 C ATOM 294 CG ASN A 22 79.076 2.265 -14.716 1.00 0.00 C ATOM 295 OD1 ASN A 22 80.128 2.874 -14.693 1.00 0.00 O ATOM 296 ND2 ASN A 22 78.817 1.449 -15.701 1.00 0.00 N ATOM 0 H ASN A 22 78.879 1.195 -11.329 1.00 0.00 H new ATOM 0 HA ASN A 22 79.356 3.881 -12.622 1.00 0.00 H new ATOM 0 HB2 ASN A 22 77.569 1.505 -13.368 1.00 0.00 H new ATOM 0 HB3 ASN A 22 77.242 3.121 -13.960 1.00 0.00 H new ATOM 0 HD21 ASN A 22 79.497 1.323 -16.451 1.00 0.00 H new ATOM 0 HD22 ASN A 22 77.935 0.938 -15.721 1.00 0.00 H new ATOM 303 N GLY A 23 77.053 4.695 -11.748 1.00 0.00 N ATOM 304 CA GLY A 23 76.030 5.319 -10.867 1.00 0.00 C ATOM 305 C GLY A 23 76.518 6.720 -10.502 1.00 0.00 C ATOM 306 O GLY A 23 77.299 7.312 -11.224 1.00 0.00 O ATOM 0 H GLY A 23 77.237 5.201 -12.614 1.00 0.00 H new ATOM 0 HA2 GLY A 23 75.068 5.371 -11.376 1.00 0.00 H new ATOM 0 HA3 GLY A 23 75.883 4.720 -9.968 1.00 0.00 H new ATOM 310 N ASP A 24 76.087 7.249 -9.387 1.00 0.00 N ATOM 311 CA ASP A 24 76.557 8.607 -8.979 1.00 0.00 C ATOM 312 C ASP A 24 78.031 8.545 -8.574 1.00 0.00 C ATOM 313 O ASP A 24 78.807 9.428 -8.888 1.00 0.00 O ATOM 314 CB ASP A 24 75.689 8.997 -7.780 1.00 0.00 C ATOM 315 CG ASP A 24 75.953 10.459 -7.396 1.00 0.00 C ATOM 316 OD1 ASP A 24 77.006 10.972 -7.744 1.00 0.00 O ATOM 317 OD2 ASP A 24 75.092 11.044 -6.759 1.00 0.00 O1- ATOM 0 H ASP A 24 75.433 6.803 -8.744 1.00 0.00 H new ATOM 0 HA ASP A 24 76.472 9.332 -9.788 1.00 0.00 H new ATOM 0 HB2 ASP A 24 74.635 8.861 -8.023 1.00 0.00 H new ATOM 0 HB3 ASP A 24 75.908 8.345 -6.934 1.00 0.00 H new ATOM 322 N HIS A 25 78.418 7.513 -7.866 1.00 0.00 N ATOM 323 CA HIS A 25 79.844 7.391 -7.421 1.00 0.00 C ATOM 324 C HIS A 25 80.671 6.600 -8.440 1.00 0.00 C ATOM 325 O HIS A 25 81.850 6.379 -8.235 1.00 0.00 O ATOM 326 CB HIS A 25 79.824 6.612 -6.099 1.00 0.00 C ATOM 327 CG HIS A 25 78.761 7.135 -5.171 1.00 0.00 C ATOM 328 ND1 HIS A 25 78.747 8.440 -4.704 1.00 0.00 N ATOM 329 CD2 HIS A 25 77.670 6.524 -4.619 1.00 0.00 C ATOM 330 CE1 HIS A 25 77.671 8.568 -3.906 1.00 0.00 C ATOM 331 NE2 HIS A 25 76.979 7.428 -3.820 1.00 0.00 N ATOM 0 H HIS A 25 77.809 6.748 -7.576 1.00 0.00 H new ATOM 0 HA HIS A 25 80.290 8.380 -7.316 1.00 0.00 H new ATOM 0 HB2 HIS A 25 79.646 5.555 -6.300 1.00 0.00 H new ATOM 0 HB3 HIS A 25 80.799 6.685 -5.617 1.00 0.00 H new ATOM 0 HD2 HIS A 25 77.387 5.494 -4.779 1.00 0.00 H new ATOM 0 HE1 HIS A 25 77.400 9.481 -3.397 1.00 0.00 H new ATOM 0 HE2 HIS A 25 76.128 7.258 -3.284 1.00 0.00 H new ATOM 339 N GLY A 26 80.076 6.156 -9.528 1.00 0.00 N ATOM 340 CA GLY A 26 80.848 5.367 -10.540 1.00 0.00 C ATOM 341 C GLY A 26 82.111 6.122 -10.946 1.00 0.00 C ATOM 342 O GLY A 26 82.065 7.264 -11.363 1.00 0.00 O ATOM 0 H GLY A 26 79.093 6.307 -9.755 1.00 0.00 H new ATOM 0 HA2 GLY A 26 81.114 4.394 -10.127 1.00 0.00 H new ATOM 0 HA3 GLY A 26 80.228 5.182 -11.417 1.00 0.00 H new ATOM 346 N LEU A 27 83.232 5.474 -10.833 1.00 0.00 N ATOM 347 CA LEU A 27 84.520 6.116 -11.217 1.00 0.00 C ATOM 348 C LEU A 27 84.907 5.711 -12.651 1.00 0.00 C ATOM 349 O LEU A 27 85.823 6.260 -13.231 1.00 0.00 O ATOM 350 CB LEU A 27 85.530 5.594 -10.196 1.00 0.00 C ATOM 351 CG LEU A 27 85.197 6.163 -8.815 1.00 0.00 C ATOM 352 CD1 LEU A 27 86.019 5.429 -7.752 1.00 0.00 C ATOM 353 CD2 LEU A 27 85.525 7.666 -8.778 1.00 0.00 C ATOM 0 H LEU A 27 83.314 4.518 -10.488 1.00 0.00 H new ATOM 0 HA LEU A 27 84.470 7.205 -11.211 1.00 0.00 H new ATOM 0 HB2 LEU A 27 85.506 4.505 -10.168 1.00 0.00 H new ATOM 0 HB3 LEU A 27 86.540 5.883 -10.487 1.00 0.00 H new ATOM 0 HG LEU A 27 84.135 6.025 -8.613 1.00 0.00 H new ATOM 0 HD11 LEU A 27 85.784 5.833 -6.767 1.00 0.00 H new ATOM 0 HD12 LEU A 27 85.778 4.366 -7.776 1.00 0.00 H new ATOM 0 HD13 LEU A 27 87.081 5.565 -7.955 1.00 0.00 H new ATOM 0 HD21 LEU A 27 85.286 8.066 -7.793 1.00 0.00 H new ATOM 0 HD22 LEU A 27 86.586 7.812 -8.982 1.00 0.00 H new ATOM 0 HD23 LEU A 27 84.936 8.186 -9.533 1.00 0.00 H new ATOM 365 N MET A 28 84.204 4.763 -13.227 1.00 0.00 N ATOM 366 CA MET A 28 84.505 4.324 -14.622 1.00 0.00 C ATOM 367 C MET A 28 84.355 5.506 -15.588 1.00 0.00 C ATOM 368 O MET A 28 85.083 5.623 -16.556 1.00 0.00 O ATOM 369 CB MET A 28 83.456 3.248 -14.934 1.00 0.00 C ATOM 370 CG MET A 28 83.659 2.712 -16.354 1.00 0.00 C ATOM 371 SD MET A 28 85.105 1.626 -16.389 1.00 0.00 S ATOM 372 CE MET A 28 84.421 0.318 -15.345 1.00 0.00 C ATOM 0 H MET A 28 83.428 4.272 -12.783 1.00 0.00 H new ATOM 0 HA MET A 28 85.523 3.948 -14.727 1.00 0.00 H new ATOM 0 HB2 MET A 28 83.535 2.433 -14.215 1.00 0.00 H new ATOM 0 HB3 MET A 28 82.454 3.666 -14.834 1.00 0.00 H new ATOM 0 HG2 MET A 28 82.773 2.166 -16.678 1.00 0.00 H new ATOM 0 HG3 MET A 28 83.796 3.539 -17.050 1.00 0.00 H new ATOM 0 HE1 MET A 28 85.032 -0.580 -15.440 1.00 0.00 H new ATOM 0 HE2 MET A 28 84.418 0.646 -14.306 1.00 0.00 H new ATOM 0 HE3 MET A 28 83.401 0.098 -15.659 1.00 0.00 H new ATOM 382 N ALA A 29 83.389 6.358 -15.351 1.00 0.00 N ATOM 383 CA ALA A 29 83.149 7.518 -16.274 1.00 0.00 C ATOM 384 C ALA A 29 84.441 8.296 -16.568 1.00 0.00 C ATOM 385 O ALA A 29 84.996 8.196 -17.647 1.00 0.00 O ATOM 386 CB ALA A 29 82.148 8.412 -15.539 1.00 0.00 C ATOM 0 H ALA A 29 82.752 6.303 -14.556 1.00 0.00 H new ATOM 0 HA ALA A 29 82.778 7.178 -17.241 1.00 0.00 H new ATOM 0 HB1 ALA A 29 81.921 9.285 -16.152 1.00 0.00 H new ATOM 0 HB2 ALA A 29 81.231 7.853 -15.350 1.00 0.00 H new ATOM 0 HB3 ALA A 29 82.577 8.736 -14.591 1.00 0.00 H new ATOM 392 N GLN A 30 84.922 9.070 -15.625 1.00 0.00 N ATOM 393 CA GLN A 30 86.177 9.855 -15.860 1.00 0.00 C ATOM 394 C GLN A 30 87.385 8.923 -15.926 1.00 0.00 C ATOM 395 O GLN A 30 88.281 9.105 -16.729 1.00 0.00 O ATOM 396 CB GLN A 30 86.300 10.790 -14.661 1.00 0.00 C ATOM 397 CG GLN A 30 85.213 11.852 -14.741 1.00 0.00 C ATOM 398 CD GLN A 30 85.327 12.796 -13.542 1.00 0.00 C ATOM 399 OE1 GLN A 30 86.415 13.156 -13.140 1.00 0.00 O ATOM 400 NE2 GLN A 30 84.242 13.210 -12.948 1.00 0.00 N ATOM 0 H GLN A 30 84.501 9.193 -14.704 1.00 0.00 H new ATOM 0 HA GLN A 30 86.141 10.401 -16.803 1.00 0.00 H new ATOM 0 HB2 GLN A 30 86.206 10.225 -13.733 1.00 0.00 H new ATOM 0 HB3 GLN A 30 87.284 11.259 -14.650 1.00 0.00 H new ATOM 0 HG2 GLN A 30 85.308 12.415 -15.670 1.00 0.00 H new ATOM 0 HG3 GLN A 30 84.230 11.381 -14.753 1.00 0.00 H new ATOM 0 HE21 GLN A 30 83.328 12.907 -13.286 1.00 0.00 H new ATOM 0 HE22 GLN A 30 84.307 13.836 -12.146 1.00 0.00 H new ATOM 409 N TYR A 31 87.412 7.932 -15.078 1.00 0.00 N ATOM 410 CA TYR A 31 88.559 6.980 -15.064 1.00 0.00 C ATOM 411 C TYR A 31 88.054 5.573 -15.413 1.00 0.00 C ATOM 412 O TYR A 31 87.482 4.912 -14.573 1.00 0.00 O ATOM 413 CB TYR A 31 89.096 7.019 -13.628 1.00 0.00 C ATOM 414 CG TYR A 31 89.488 8.436 -13.268 1.00 0.00 C ATOM 415 CD1 TYR A 31 90.700 8.964 -13.723 1.00 0.00 C ATOM 416 CD2 TYR A 31 88.632 9.219 -12.484 1.00 0.00 C ATOM 417 CE1 TYR A 31 91.059 10.277 -13.393 1.00 0.00 C ATOM 418 CE2 TYR A 31 88.991 10.532 -12.154 1.00 0.00 C ATOM 419 CZ TYR A 31 90.204 11.060 -12.609 1.00 0.00 C ATOM 420 OH TYR A 31 90.558 12.355 -12.284 1.00 0.00 O ATOM 0 H TYR A 31 86.684 7.739 -14.390 1.00 0.00 H new ATOM 0 HA TYR A 31 89.332 7.241 -15.787 1.00 0.00 H new ATOM 0 HB2 TYR A 31 88.337 6.654 -12.936 1.00 0.00 H new ATOM 0 HB3 TYR A 31 89.958 6.358 -13.534 1.00 0.00 H new ATOM 0 HD1 TYR A 31 91.359 8.360 -14.329 1.00 0.00 H new ATOM 0 HD2 TYR A 31 87.695 8.811 -12.134 1.00 0.00 H new ATOM 0 HE1 TYR A 31 91.995 10.685 -13.743 1.00 0.00 H new ATOM 0 HE2 TYR A 31 88.332 11.136 -11.549 1.00 0.00 H new ATOM 0 HH TYR A 31 89.853 12.759 -11.736 1.00 0.00 H new ATOM 430 N PRO A 32 88.254 5.158 -16.648 1.00 0.00 N ATOM 431 CA PRO A 32 87.769 3.820 -17.066 1.00 0.00 C ATOM 432 C PRO A 32 88.658 2.701 -16.502 1.00 0.00 C ATOM 433 O PRO A 32 88.242 1.560 -16.419 1.00 0.00 O ATOM 434 CB PRO A 32 87.852 3.867 -18.588 1.00 0.00 C ATOM 435 CG PRO A 32 88.899 4.892 -18.893 1.00 0.00 C ATOM 436 CD PRO A 32 88.922 5.871 -17.748 1.00 0.00 C ATOM 0 HA PRO A 32 86.765 3.606 -16.701 1.00 0.00 H new ATOM 0 HB2 PRO A 32 88.123 2.894 -18.998 1.00 0.00 H new ATOM 0 HB3 PRO A 32 86.893 4.142 -19.026 1.00 0.00 H new ATOM 0 HG2 PRO A 32 89.874 4.420 -19.013 1.00 0.00 H new ATOM 0 HG3 PRO A 32 88.674 5.403 -19.829 1.00 0.00 H new ATOM 0 HD2 PRO A 32 89.942 6.148 -17.481 1.00 0.00 H new ATOM 0 HD3 PRO A 32 88.398 6.792 -18.002 1.00 0.00 H new ATOM 444 N THR A 33 89.877 3.012 -16.131 1.00 0.00 N ATOM 445 CA THR A 33 90.789 1.956 -15.592 1.00 0.00 C ATOM 446 C THR A 33 91.384 2.379 -14.246 1.00 0.00 C ATOM 447 O THR A 33 91.609 3.546 -13.989 1.00 0.00 O ATOM 448 CB THR A 33 91.893 1.820 -16.640 1.00 0.00 C ATOM 449 OG1 THR A 33 91.308 1.602 -17.916 1.00 0.00 O ATOM 450 CG2 THR A 33 92.798 0.638 -16.283 1.00 0.00 C ATOM 0 H THR A 33 90.278 3.949 -16.178 1.00 0.00 H new ATOM 0 HA THR A 33 90.263 1.018 -15.417 1.00 0.00 H new ATOM 0 HB THR A 33 92.486 2.734 -16.663 1.00 0.00 H new ATOM 0 HG1 THR A 33 92.015 1.516 -18.590 1.00 0.00 H new ATOM 0 HG21 THR A 33 93.585 0.543 -17.032 1.00 0.00 H new ATOM 0 HG22 THR A 33 93.247 0.806 -15.304 1.00 0.00 H new ATOM 0 HG23 THR A 33 92.208 -0.278 -16.259 1.00 0.00 H new ATOM 458 N LEU A 34 91.640 1.423 -13.390 1.00 0.00 N ATOM 459 CA LEU A 34 92.227 1.733 -12.047 1.00 0.00 C ATOM 460 C LEU A 34 93.656 2.262 -12.199 1.00 0.00 C ATOM 461 O LEU A 34 94.519 1.582 -12.726 1.00 0.00 O ATOM 462 CB LEU A 34 92.239 0.383 -11.307 1.00 0.00 C ATOM 463 CG LEU A 34 92.947 0.514 -9.946 1.00 0.00 C ATOM 464 CD1 LEU A 34 92.206 1.528 -9.070 1.00 0.00 C ATOM 465 CD2 LEU A 34 92.976 -0.855 -9.246 1.00 0.00 C ATOM 0 H LEU A 34 91.467 0.433 -13.563 1.00 0.00 H new ATOM 0 HA LEU A 34 91.659 2.496 -11.515 1.00 0.00 H new ATOM 0 HB2 LEU A 34 91.217 0.035 -11.159 1.00 0.00 H new ATOM 0 HB3 LEU A 34 92.746 -0.366 -11.915 1.00 0.00 H new ATOM 0 HG LEU A 34 93.969 0.860 -10.104 1.00 0.00 H new ATOM 0 HD11 LEU A 34 92.712 1.616 -8.108 1.00 0.00 H new ATOM 0 HD12 LEU A 34 92.197 2.499 -9.566 1.00 0.00 H new ATOM 0 HD13 LEU A 34 91.181 1.192 -8.912 1.00 0.00 H new ATOM 0 HD21 LEU A 34 93.477 -0.761 -8.283 1.00 0.00 H new ATOM 0 HD22 LEU A 34 91.956 -1.206 -9.091 1.00 0.00 H new ATOM 0 HD23 LEU A 34 93.515 -1.570 -9.867 1.00 0.00 H new ATOM 477 N GLY A 35 93.914 3.455 -11.740 1.00 0.00 N ATOM 478 CA GLY A 35 95.296 4.014 -11.853 1.00 0.00 C ATOM 479 C GLY A 35 95.262 5.543 -11.963 1.00 0.00 C ATOM 480 O GLY A 35 96.137 6.140 -12.563 1.00 0.00 O ATOM 0 H GLY A 35 93.232 4.068 -11.292 1.00 0.00 H new ATOM 0 HA2 GLY A 35 95.883 3.721 -10.982 1.00 0.00 H new ATOM 0 HA3 GLY A 35 95.792 3.594 -12.728 1.00 0.00 H new ATOM 484 N GLU A 36 94.279 6.185 -11.378 1.00 0.00 N ATOM 485 CA GLU A 36 94.210 7.670 -11.437 1.00 0.00 C ATOM 486 C GLU A 36 93.459 8.214 -10.226 1.00 0.00 C ATOM 487 O GLU A 36 93.920 9.123 -9.561 1.00 0.00 O ATOM 488 CB GLU A 36 93.449 7.985 -12.716 1.00 0.00 C ATOM 489 CG GLU A 36 94.392 7.873 -13.911 1.00 0.00 C ATOM 490 CD GLU A 36 93.703 8.416 -15.165 1.00 0.00 C ATOM 491 OE1 GLU A 36 92.939 7.678 -15.765 1.00 0.00 O ATOM 492 OE2 GLU A 36 93.950 9.562 -15.503 1.00 0.00 O1- ATOM 0 H GLU A 36 93.521 5.738 -10.862 1.00 0.00 H new ATOM 0 HA GLU A 36 95.201 8.125 -11.430 1.00 0.00 H new ATOM 0 HB2 GLU A 36 92.613 7.296 -12.833 1.00 0.00 H new ATOM 0 HB3 GLU A 36 93.029 8.989 -12.664 1.00 0.00 H new ATOM 0 HG2 GLU A 36 95.308 8.431 -13.717 1.00 0.00 H new ATOM 0 HG3 GLU A 36 94.679 6.833 -14.064 1.00 0.00 H new ATOM 499 N VAL A 37 92.307 7.662 -9.928 1.00 0.00 N ATOM 500 CA VAL A 37 91.532 8.152 -8.747 1.00 0.00 C ATOM 501 C VAL A 37 92.388 7.953 -7.469 1.00 0.00 C ATOM 502 O VAL A 37 92.739 8.918 -6.820 1.00 0.00 O ATOM 503 CB VAL A 37 90.222 7.326 -8.762 1.00 0.00 C ATOM 504 CG1 VAL A 37 89.589 7.243 -7.366 1.00 0.00 C ATOM 505 CG2 VAL A 37 89.230 7.997 -9.713 1.00 0.00 C ATOM 0 H VAL A 37 91.873 6.899 -10.448 1.00 0.00 H new ATOM 0 HA VAL A 37 91.291 9.215 -8.773 1.00 0.00 H new ATOM 0 HB VAL A 37 90.459 6.314 -9.090 1.00 0.00 H new ATOM 0 HG11 VAL A 37 88.672 6.656 -7.417 1.00 0.00 H new ATOM 0 HG12 VAL A 37 90.287 6.767 -6.678 1.00 0.00 H new ATOM 0 HG13 VAL A 37 89.358 8.247 -7.011 1.00 0.00 H new ATOM 0 HG21 VAL A 37 88.302 7.425 -9.733 1.00 0.00 H new ATOM 0 HG22 VAL A 37 89.024 9.010 -9.369 1.00 0.00 H new ATOM 0 HG23 VAL A 37 89.655 8.034 -10.716 1.00 0.00 H new ATOM 515 N PRO A 38 92.743 6.718 -7.173 1.00 0.00 N ATOM 516 CA PRO A 38 93.612 6.447 -5.999 1.00 0.00 C ATOM 517 C PRO A 38 95.056 6.836 -6.332 1.00 0.00 C ATOM 518 O PRO A 38 95.846 7.158 -5.467 1.00 0.00 O ATOM 519 CB PRO A 38 93.524 4.933 -5.826 1.00 0.00 C ATOM 520 CG PRO A 38 93.180 4.408 -7.178 1.00 0.00 C ATOM 521 CD PRO A 38 92.380 5.474 -7.875 1.00 0.00 C ATOM 0 HA PRO A 38 93.313 7.000 -5.109 1.00 0.00 H new ATOM 0 HB2 PRO A 38 94.469 4.521 -5.472 1.00 0.00 H new ATOM 0 HB3 PRO A 38 92.764 4.663 -5.093 1.00 0.00 H new ATOM 0 HG2 PRO A 38 94.083 4.174 -7.742 1.00 0.00 H new ATOM 0 HG3 PRO A 38 92.605 3.485 -7.098 1.00 0.00 H new ATOM 0 HD2 PRO A 38 92.628 5.528 -8.935 1.00 0.00 H new ATOM 0 HD3 PRO A 38 91.310 5.277 -7.808 1.00 0.00 H new ATOM 529 N GLY A 39 95.398 6.776 -7.594 1.00 0.00 N ATOM 530 CA GLY A 39 96.780 7.100 -8.037 1.00 0.00 C ATOM 531 C GLY A 39 97.289 5.912 -8.854 1.00 0.00 C ATOM 532 O GLY A 39 97.598 6.037 -10.021 1.00 0.00 O ATOM 0 H GLY A 39 94.763 6.511 -8.347 1.00 0.00 H new ATOM 0 HA2 GLY A 39 96.787 8.010 -8.637 1.00 0.00 H new ATOM 0 HA3 GLY A 39 97.426 7.280 -7.178 1.00 0.00 H new ATOM 536 N PHE A 40 97.319 4.751 -8.227 1.00 0.00 N ATOM 537 CA PHE A 40 97.747 3.457 -8.880 1.00 0.00 C ATOM 538 C PHE A 40 98.002 2.383 -7.780 1.00 0.00 C ATOM 539 O PHE A 40 97.180 1.503 -7.625 1.00 0.00 O ATOM 540 CB PHE A 40 98.976 3.745 -9.788 1.00 0.00 C ATOM 541 CG PHE A 40 99.699 2.463 -10.176 1.00 0.00 C ATOM 542 CD1 PHE A 40 98.971 1.298 -10.466 1.00 0.00 C ATOM 543 CD2 PHE A 40 101.098 2.449 -10.263 1.00 0.00 C ATOM 544 CE1 PHE A 40 99.640 0.126 -10.835 1.00 0.00 C ATOM 545 CE2 PHE A 40 101.765 1.274 -10.634 1.00 0.00 C ATOM 546 CZ PHE A 40 101.036 0.114 -10.918 1.00 0.00 C ATOM 0 H PHE A 40 97.053 4.643 -7.248 1.00 0.00 H new ATOM 0 HA PHE A 40 96.968 3.048 -9.523 1.00 0.00 H new ATOM 0 HB2 PHE A 40 98.650 4.266 -10.688 1.00 0.00 H new ATOM 0 HB3 PHE A 40 99.666 4.409 -9.267 1.00 0.00 H new ATOM 0 HD1 PHE A 40 97.893 1.307 -10.404 1.00 0.00 H new ATOM 0 HD2 PHE A 40 101.662 3.344 -10.044 1.00 0.00 H new ATOM 0 HE1 PHE A 40 99.078 -0.770 -11.056 1.00 0.00 H new ATOM 0 HE2 PHE A 40 102.843 1.264 -10.701 1.00 0.00 H new ATOM 0 HZ PHE A 40 101.552 -0.791 -11.202 1.00 0.00 H new ATOM 556 N PRO A 41 99.097 2.472 -7.021 1.00 0.00 N ATOM 557 CA PRO A 41 99.335 1.467 -5.943 1.00 0.00 C ATOM 558 C PRO A 41 98.631 1.877 -4.635 1.00 0.00 C ATOM 559 O PRO A 41 98.995 1.416 -3.569 1.00 0.00 O ATOM 560 CB PRO A 41 100.837 1.538 -5.716 1.00 0.00 C ATOM 561 CG PRO A 41 101.230 2.926 -6.115 1.00 0.00 C ATOM 562 CD PRO A 41 100.198 3.446 -7.085 1.00 0.00 C ATOM 0 HA PRO A 41 98.963 0.480 -6.219 1.00 0.00 H new ATOM 0 HB2 PRO A 41 101.087 1.343 -4.673 1.00 0.00 H new ATOM 0 HB3 PRO A 41 101.361 0.793 -6.315 1.00 0.00 H new ATOM 0 HG2 PRO A 41 101.288 3.572 -5.239 1.00 0.00 H new ATOM 0 HG3 PRO A 41 102.218 2.924 -6.575 1.00 0.00 H new ATOM 0 HD2 PRO A 41 99.860 4.444 -6.806 1.00 0.00 H new ATOM 0 HD3 PRO A 41 100.604 3.518 -8.094 1.00 0.00 H new ATOM 570 N ASN A 42 97.659 2.750 -4.696 1.00 0.00 N ATOM 571 CA ASN A 42 96.971 3.205 -3.453 1.00 0.00 C ATOM 572 C ASN A 42 95.490 2.833 -3.504 1.00 0.00 C ATOM 573 O ASN A 42 94.639 3.583 -3.064 1.00 0.00 O ATOM 574 CB ASN A 42 97.127 4.726 -3.473 1.00 0.00 C ATOM 575 CG ASN A 42 98.607 5.099 -3.372 1.00 0.00 C ATOM 576 OD1 ASN A 42 99.290 5.194 -4.373 1.00 0.00 O ATOM 577 ND2 ASN A 42 99.134 5.327 -2.201 1.00 0.00 N ATOM 0 H ASN A 42 97.311 3.169 -5.558 1.00 0.00 H new ATOM 0 HA ASN A 42 97.386 2.749 -2.554 1.00 0.00 H new ATOM 0 HB2 ASN A 42 96.703 5.132 -4.391 1.00 0.00 H new ATOM 0 HB3 ASN A 42 96.574 5.168 -2.644 1.00 0.00 H new ATOM 0 HD21 ASN A 42 100.118 5.585 -2.126 1.00 0.00 H new ATOM 0 HD22 ASN A 42 98.562 5.248 -1.360 1.00 0.00 H new ATOM 584 N VAL A 43 95.180 1.691 -4.054 1.00 0.00 N ATOM 585 CA VAL A 43 93.755 1.271 -4.159 1.00 0.00 C ATOM 586 C VAL A 43 93.525 -0.055 -3.425 1.00 0.00 C ATOM 587 O VAL A 43 94.353 -0.952 -3.444 1.00 0.00 O ATOM 588 CB VAL A 43 93.491 1.139 -5.666 1.00 0.00 C ATOM 589 CG1 VAL A 43 94.323 -0.009 -6.262 1.00 0.00 C ATOM 590 CG2 VAL A 43 91.997 0.882 -5.899 1.00 0.00 C ATOM 0 H VAL A 43 95.855 1.029 -4.436 1.00 0.00 H new ATOM 0 HA VAL A 43 93.076 1.987 -3.697 1.00 0.00 H new ATOM 0 HB VAL A 43 93.783 2.065 -6.160 1.00 0.00 H new ATOM 0 HG11 VAL A 43 94.122 -0.087 -7.331 1.00 0.00 H new ATOM 0 HG12 VAL A 43 95.383 0.191 -6.105 1.00 0.00 H new ATOM 0 HG13 VAL A 43 94.054 -0.945 -5.773 1.00 0.00 H new ATOM 0 HG21 VAL A 43 91.806 0.788 -6.968 1.00 0.00 H new ATOM 0 HG22 VAL A 43 91.703 -0.039 -5.396 1.00 0.00 H new ATOM 0 HG23 VAL A 43 91.418 1.714 -5.499 1.00 0.00 H new ATOM 600 N GLY A 44 92.401 -0.164 -2.766 1.00 0.00 N ATOM 601 CA GLY A 44 92.081 -1.406 -2.007 1.00 0.00 C ATOM 602 C GLY A 44 90.617 -1.382 -1.565 1.00 0.00 C ATOM 603 O GLY A 44 89.941 -0.377 -1.674 1.00 0.00 O ATOM 0 H GLY A 44 91.686 0.562 -2.722 1.00 0.00 H new ATOM 0 HA2 GLY A 44 92.268 -2.281 -2.629 1.00 0.00 H new ATOM 0 HA3 GLY A 44 92.732 -1.489 -1.136 1.00 0.00 H new ATOM 607 N GLY A 45 90.135 -2.478 -1.038 1.00 0.00 N ATOM 608 CA GLY A 45 88.723 -2.530 -0.560 1.00 0.00 C ATOM 609 C GLY A 45 88.653 -1.898 0.826 1.00 0.00 C ATOM 610 O GLY A 45 89.614 -1.930 1.575 1.00 0.00 O ATOM 0 H GLY A 45 90.662 -3.343 -0.918 1.00 0.00 H new ATOM 0 HA2 GLY A 45 88.070 -1.998 -1.252 1.00 0.00 H new ATOM 0 HA3 GLY A 45 88.374 -3.562 -0.523 1.00 0.00 H new ATOM 614 N ILE A 46 87.523 -1.347 1.183 1.00 0.00 N ATOM 615 CA ILE A 46 87.382 -0.726 2.533 1.00 0.00 C ATOM 616 C ILE A 46 85.973 -1.014 3.095 1.00 0.00 C ATOM 617 O ILE A 46 85.065 -1.309 2.346 1.00 0.00 O ATOM 618 CB ILE A 46 87.628 0.774 2.320 1.00 0.00 C ATOM 619 CG1 ILE A 46 86.608 1.344 1.339 1.00 0.00 C ATOM 620 CG2 ILE A 46 89.031 0.982 1.742 1.00 0.00 C ATOM 621 CD1 ILE A 46 86.478 2.853 1.574 1.00 0.00 C ATOM 0 H ILE A 46 86.690 -1.300 0.597 1.00 0.00 H new ATOM 0 HA ILE A 46 88.087 -1.128 3.261 1.00 0.00 H new ATOM 0 HB ILE A 46 87.533 1.283 3.279 1.00 0.00 H new ATOM 0 HG12 ILE A 46 86.922 1.148 0.314 1.00 0.00 H new ATOM 0 HG13 ILE A 46 85.642 0.857 1.475 1.00 0.00 H new ATOM 0 HG21 ILE A 46 89.208 2.047 1.590 1.00 0.00 H new ATOM 0 HG22 ILE A 46 89.773 0.587 2.436 1.00 0.00 H new ATOM 0 HG23 ILE A 46 89.112 0.461 0.788 1.00 0.00 H new ATOM 0 HD11 ILE A 46 85.751 3.268 0.877 1.00 0.00 H new ATOM 0 HD12 ILE A 46 86.146 3.035 2.596 1.00 0.00 H new ATOM 0 HD13 ILE A 46 87.445 3.330 1.417 1.00 0.00 H new ATOM 633 N PRO A 47 85.846 -0.961 4.404 1.00 0.00 N ATOM 634 CA PRO A 47 84.544 -1.279 5.076 1.00 0.00 C ATOM 635 C PRO A 47 83.443 -0.237 4.828 1.00 0.00 C ATOM 636 O PRO A 47 82.276 -0.532 5.019 1.00 0.00 O ATOM 637 CB PRO A 47 84.910 -1.278 6.560 1.00 0.00 C ATOM 638 CG PRO A 47 86.107 -0.395 6.653 1.00 0.00 C ATOM 639 CD PRO A 47 86.883 -0.601 5.388 1.00 0.00 C ATOM 0 HA PRO A 47 84.133 -2.215 4.697 1.00 0.00 H new ATOM 0 HB2 PRO A 47 84.090 -0.899 7.170 1.00 0.00 H new ATOM 0 HB3 PRO A 47 85.132 -2.285 6.914 1.00 0.00 H new ATOM 0 HG2 PRO A 47 85.812 0.649 6.762 1.00 0.00 H new ATOM 0 HG3 PRO A 47 86.710 -0.649 7.525 1.00 0.00 H new ATOM 0 HD2 PRO A 47 87.419 0.301 5.094 1.00 0.00 H new ATOM 0 HD3 PRO A 47 87.625 -1.392 5.497 1.00 0.00 H new ATOM 647 N ASP A 48 83.776 0.972 4.447 1.00 0.00 N ATOM 648 CA ASP A 48 82.704 2.001 4.248 1.00 0.00 C ATOM 649 C ASP A 48 82.141 1.994 2.825 1.00 0.00 C ATOM 650 O ASP A 48 81.519 2.952 2.403 1.00 0.00 O ATOM 651 CB ASP A 48 83.350 3.347 4.576 1.00 0.00 C ATOM 652 CG ASP A 48 83.459 3.523 6.097 1.00 0.00 C ATOM 653 OD1 ASP A 48 82.740 2.843 6.815 1.00 0.00 O ATOM 654 OD2 ASP A 48 84.256 4.342 6.519 1.00 0.00 O1- ATOM 0 H ASP A 48 84.728 1.289 4.267 1.00 0.00 H new ATOM 0 HA ASP A 48 81.851 1.791 4.893 1.00 0.00 H new ATOM 0 HB2 ASP A 48 84.340 3.404 4.124 1.00 0.00 H new ATOM 0 HB3 ASP A 48 82.758 4.157 4.150 1.00 0.00 H new ATOM 659 N ILE A 49 82.300 0.916 2.096 1.00 0.00 N ATOM 660 CA ILE A 49 81.715 0.852 0.724 1.00 0.00 C ATOM 661 C ILE A 49 80.726 -0.322 0.673 1.00 0.00 C ATOM 662 O ILE A 49 81.078 -1.453 0.946 1.00 0.00 O ATOM 663 CB ILE A 49 82.911 0.685 -0.217 1.00 0.00 C ATOM 664 CG1 ILE A 49 83.770 1.955 -0.115 1.00 0.00 C ATOM 665 CG2 ILE A 49 82.435 0.471 -1.661 1.00 0.00 C ATOM 666 CD1 ILE A 49 84.931 1.909 -1.116 1.00 0.00 C ATOM 0 H ILE A 49 82.808 0.082 2.392 1.00 0.00 H new ATOM 0 HA ILE A 49 81.150 1.738 0.435 1.00 0.00 H new ATOM 0 HB ILE A 49 83.496 -0.190 0.068 1.00 0.00 H new ATOM 0 HG12 ILE A 49 83.153 2.833 -0.307 1.00 0.00 H new ATOM 0 HG13 ILE A 49 84.161 2.055 0.898 1.00 0.00 H new ATOM 0 HG21 ILE A 49 83.299 0.354 -2.315 1.00 0.00 H new ATOM 0 HG22 ILE A 49 81.818 -0.426 -1.711 1.00 0.00 H new ATOM 0 HG23 ILE A 49 81.850 1.333 -1.983 1.00 0.00 H new ATOM 0 HD11 ILE A 49 85.525 2.818 -1.026 1.00 0.00 H new ATOM 0 HD12 ILE A 49 85.559 1.043 -0.906 1.00 0.00 H new ATOM 0 HD13 ILE A 49 84.535 1.833 -2.129 1.00 0.00 H new ATOM 678 N ALA A 50 79.476 -0.043 0.384 1.00 0.00 N ATOM 679 CA ALA A 50 78.435 -1.122 0.383 1.00 0.00 C ATOM 680 C ALA A 50 78.412 -1.944 -0.904 1.00 0.00 C ATOM 681 O ALA A 50 78.262 -3.152 -0.847 1.00 0.00 O ATOM 682 CB ALA A 50 77.107 -0.388 0.567 1.00 0.00 C ATOM 0 H ALA A 50 79.131 0.888 0.148 1.00 0.00 H new ATOM 0 HA ALA A 50 78.642 -1.845 1.172 1.00 0.00 H new ATOM 0 HB1 ALA A 50 76.291 -1.110 0.577 1.00 0.00 H new ATOM 0 HB2 ALA A 50 77.121 0.158 1.510 1.00 0.00 H new ATOM 0 HB3 ALA A 50 76.962 0.313 -0.255 1.00 0.00 H new ATOM 688 N GLY A 51 78.538 -1.332 -2.055 1.00 0.00 N ATOM 689 CA GLY A 51 78.495 -2.151 -3.300 1.00 0.00 C ATOM 690 C GLY A 51 78.528 -1.285 -4.563 1.00 0.00 C ATOM 691 O GLY A 51 79.274 -0.333 -4.673 1.00 0.00 O ATOM 0 H GLY A 51 78.665 -0.328 -2.184 1.00 0.00 H new ATOM 0 HA2 GLY A 51 79.341 -2.838 -3.310 1.00 0.00 H new ATOM 0 HA3 GLY A 51 77.590 -2.759 -3.302 1.00 0.00 H new ATOM 695 N TRP A 52 77.731 -1.661 -5.532 1.00 0.00 N ATOM 696 CA TRP A 52 77.673 -0.953 -6.853 1.00 0.00 C ATOM 697 C TRP A 52 77.755 0.577 -6.751 1.00 0.00 C ATOM 698 O TRP A 52 78.241 1.220 -7.666 1.00 0.00 O ATOM 699 CB TRP A 52 76.325 -1.342 -7.460 1.00 0.00 C ATOM 700 CG TRP A 52 76.323 -0.930 -8.898 1.00 0.00 C ATOM 701 CD1 TRP A 52 77.000 -1.563 -9.883 1.00 0.00 C ATOM 702 CD2 TRP A 52 75.646 0.199 -9.526 1.00 0.00 C ATOM 703 NE1 TRP A 52 76.781 -0.897 -11.076 1.00 0.00 N ATOM 704 CE2 TRP A 52 75.952 0.196 -10.908 1.00 0.00 C ATOM 705 CE3 TRP A 52 74.803 1.214 -9.038 1.00 0.00 C ATOM 706 CZ2 TRP A 52 75.442 1.166 -11.773 1.00 0.00 C ATOM 707 CZ3 TRP A 52 74.288 2.190 -9.906 1.00 0.00 C ATOM 708 CH2 TRP A 52 74.607 2.167 -11.270 1.00 0.00 C ATOM 0 H TRP A 52 77.096 -2.456 -5.461 1.00 0.00 H new ATOM 0 HA TRP A 52 78.534 -1.247 -7.453 1.00 0.00 H new ATOM 0 HB2 TRP A 52 76.165 -2.417 -7.372 1.00 0.00 H new ATOM 0 HB3 TRP A 52 75.512 -0.854 -6.924 1.00 0.00 H new ATOM 0 HD1 TRP A 52 77.612 -2.444 -9.759 1.00 0.00 H new ATOM 0 HE1 TRP A 52 77.182 -1.178 -11.970 1.00 0.00 H new ATOM 0 HE3 TRP A 52 74.550 1.243 -7.988 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 75.691 1.143 -12.824 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 73.641 2.964 -9.520 1.00 0.00 H new ATOM 0 HH2 TRP A 52 74.208 2.922 -11.932 1.00 0.00 H new ATOM 719 N ASP A 53 77.283 1.174 -5.681 1.00 0.00 N ATOM 720 CA ASP A 53 77.338 2.663 -5.586 1.00 0.00 C ATOM 721 C ASP A 53 77.546 3.119 -4.140 1.00 0.00 C ATOM 722 O ASP A 53 76.666 3.698 -3.528 1.00 0.00 O ATOM 723 CB ASP A 53 75.976 3.136 -6.106 1.00 0.00 C ATOM 724 CG ASP A 53 76.095 4.541 -6.715 1.00 0.00 C ATOM 725 OD1 ASP A 53 77.210 4.987 -6.943 1.00 0.00 O1- ATOM 726 OD2 ASP A 53 75.061 5.144 -6.955 1.00 0.00 O ATOM 0 H ASP A 53 76.867 0.699 -4.880 1.00 0.00 H new ATOM 0 HA ASP A 53 78.170 3.075 -6.157 1.00 0.00 H new ATOM 0 HB2 ASP A 53 75.603 2.438 -6.856 1.00 0.00 H new ATOM 0 HB3 ASP A 53 75.252 3.146 -5.291 1.00 0.00 H new ATOM 731 N SER A 54 78.701 2.861 -3.595 1.00 0.00 N ATOM 732 CA SER A 54 78.978 3.275 -2.183 1.00 0.00 C ATOM 733 C SER A 54 78.964 4.810 -2.056 1.00 0.00 C ATOM 734 O SER A 54 79.518 5.494 -2.893 1.00 0.00 O ATOM 735 CB SER A 54 80.370 2.725 -1.877 1.00 0.00 C ATOM 736 OG SER A 54 80.978 3.496 -0.846 1.00 0.00 O ATOM 0 H SER A 54 79.469 2.381 -4.063 1.00 0.00 H new ATOM 0 HA SER A 54 78.226 2.897 -1.490 1.00 0.00 H new ATOM 0 HB2 SER A 54 80.299 1.682 -1.570 1.00 0.00 H new ATOM 0 HB3 SER A 54 80.987 2.751 -2.775 1.00 0.00 H new ATOM 0 HG SER A 54 80.375 3.545 -0.075 1.00 0.00 H new ATOM 742 N PRO A 55 78.342 5.312 -1.006 1.00 0.00 N ATOM 743 CA PRO A 55 78.291 6.779 -0.798 1.00 0.00 C ATOM 744 C PRO A 55 79.658 7.308 -0.347 1.00 0.00 C ATOM 745 O PRO A 55 79.948 8.483 -0.472 1.00 0.00 O ATOM 746 CB PRO A 55 77.252 6.956 0.306 1.00 0.00 C ATOM 747 CG PRO A 55 77.252 5.660 1.050 1.00 0.00 C ATOM 748 CD PRO A 55 77.643 4.585 0.070 1.00 0.00 C ATOM 0 HA PRO A 55 78.037 7.326 -1.706 1.00 0.00 H new ATOM 0 HB2 PRO A 55 77.511 7.787 0.962 1.00 0.00 H new ATOM 0 HB3 PRO A 55 76.268 7.172 -0.110 1.00 0.00 H new ATOM 0 HG2 PRO A 55 77.954 5.695 1.883 1.00 0.00 H new ATOM 0 HG3 PRO A 55 76.267 5.458 1.471 1.00 0.00 H new ATOM 0 HD2 PRO A 55 78.290 3.840 0.533 1.00 0.00 H new ATOM 0 HD3 PRO A 55 76.769 4.056 -0.310 1.00 0.00 H new ATOM 756 N SER A 56 80.498 6.446 0.179 1.00 0.00 N ATOM 757 CA SER A 56 81.845 6.892 0.640 1.00 0.00 C ATOM 758 C SER A 56 82.918 6.557 -0.406 1.00 0.00 C ATOM 759 O SER A 56 84.099 6.591 -0.121 1.00 0.00 O ATOM 760 CB SER A 56 82.095 6.117 1.932 1.00 0.00 C ATOM 761 OG SER A 56 81.400 6.749 2.999 1.00 0.00 O ATOM 0 H SER A 56 80.305 5.453 0.307 1.00 0.00 H new ATOM 0 HA SER A 56 81.887 7.971 0.792 1.00 0.00 H new ATOM 0 HB2 SER A 56 81.758 5.086 1.823 1.00 0.00 H new ATOM 0 HB3 SER A 56 83.163 6.082 2.148 1.00 0.00 H new ATOM 0 HG SER A 56 81.556 6.254 3.830 1.00 0.00 H new ATOM 767 N CYS A 57 82.518 6.235 -1.615 1.00 0.00 N ATOM 768 CA CYS A 57 83.516 5.905 -2.676 1.00 0.00 C ATOM 769 C CYS A 57 84.230 7.177 -3.139 1.00 0.00 C ATOM 770 O CYS A 57 83.673 8.259 -3.097 1.00 0.00 O ATOM 771 CB CYS A 57 82.704 5.308 -3.822 1.00 0.00 C ATOM 772 SG CYS A 57 83.829 4.576 -5.034 1.00 0.00 S ATOM 0 H CYS A 57 81.543 6.187 -1.910 1.00 0.00 H new ATOM 0 HA CYS A 57 84.281 5.216 -2.318 1.00 0.00 H new ATOM 0 HB2 CYS A 57 82.019 4.551 -3.441 1.00 0.00 H new ATOM 0 HB3 CYS A 57 82.096 6.080 -4.293 1.00 0.00 H new ATOM 777 N GLY A 58 85.454 7.053 -3.585 1.00 0.00 N ATOM 778 CA GLY A 58 86.207 8.251 -4.058 1.00 0.00 C ATOM 779 C GLY A 58 86.647 9.095 -2.860 1.00 0.00 C ATOM 780 O GLY A 58 86.923 10.272 -2.992 1.00 0.00 O ATOM 0 H GLY A 58 85.964 6.172 -3.642 1.00 0.00 H new ATOM 0 HA2 GLY A 58 87.078 7.940 -4.634 1.00 0.00 H new ATOM 0 HA3 GLY A 58 85.581 8.846 -4.723 1.00 0.00 H new ATOM 784 N THR A 59 86.722 8.501 -1.696 1.00 0.00 N ATOM 785 CA THR A 59 87.151 9.260 -0.488 1.00 0.00 C ATOM 786 C THR A 59 88.574 8.857 -0.085 1.00 0.00 C ATOM 787 O THR A 59 88.965 7.708 -0.158 1.00 0.00 O ATOM 788 CB THR A 59 86.130 8.906 0.599 1.00 0.00 C ATOM 789 OG1 THR A 59 84.845 9.357 0.193 1.00 0.00 O ATOM 790 CG2 THR A 59 86.509 9.587 1.917 1.00 0.00 C ATOM 0 H THR A 59 86.503 7.518 -1.532 1.00 0.00 H new ATOM 0 HA THR A 59 87.179 10.336 -0.661 1.00 0.00 H new ATOM 0 HB THR A 59 86.120 7.826 0.745 1.00 0.00 H new ATOM 0 HG1 THR A 59 84.326 8.600 -0.149 1.00 0.00 H new ATOM 0 HG21 THR A 59 85.778 9.329 2.683 1.00 0.00 H new ATOM 0 HG22 THR A 59 87.497 9.249 2.230 1.00 0.00 H new ATOM 0 HG23 THR A 59 86.523 10.668 1.777 1.00 0.00 H new ATOM 798 N CYS A 60 89.343 9.831 0.312 1.00 0.00 N ATOM 799 CA CYS A 60 90.765 9.585 0.704 1.00 0.00 C ATOM 800 C CYS A 60 90.843 8.999 2.115 1.00 0.00 C ATOM 801 O CYS A 60 90.165 9.447 3.020 1.00 0.00 O ATOM 802 CB CYS A 60 91.410 10.971 0.672 1.00 0.00 C ATOM 803 SG CYS A 60 93.184 10.834 1.012 1.00 0.00 S ATOM 0 H CYS A 60 89.045 10.804 0.384 1.00 0.00 H new ATOM 0 HA CYS A 60 91.260 8.873 0.043 1.00 0.00 H new ATOM 0 HB2 CYS A 60 91.252 11.433 -0.303 1.00 0.00 H new ATOM 0 HB3 CYS A 60 90.938 11.618 1.411 1.00 0.00 H new ATOM 808 N TRP A 61 91.667 8.000 2.304 1.00 0.00 N ATOM 809 CA TRP A 61 91.801 7.376 3.652 1.00 0.00 C ATOM 810 C TRP A 61 93.282 7.111 3.964 1.00 0.00 C ATOM 811 O TRP A 61 94.061 6.809 3.079 1.00 0.00 O ATOM 812 CB TRP A 61 91.036 6.062 3.531 1.00 0.00 C ATOM 813 CG TRP A 61 89.572 6.327 3.352 1.00 0.00 C ATOM 814 CD1 TRP A 61 88.888 6.093 2.209 1.00 0.00 C ATOM 815 CD2 TRP A 61 88.601 6.866 4.306 1.00 0.00 C ATOM 816 NE1 TRP A 61 87.561 6.423 2.403 1.00 0.00 N ATOM 817 CE2 TRP A 61 87.334 6.911 3.674 1.00 0.00 C ATOM 818 CE3 TRP A 61 88.685 7.310 5.642 1.00 0.00 C ATOM 819 CZ2 TRP A 61 86.198 7.374 4.340 1.00 0.00 C ATOM 820 CZ3 TRP A 61 87.544 7.777 6.310 1.00 0.00 C ATOM 821 CH2 TRP A 61 86.303 7.806 5.663 1.00 0.00 C ATOM 0 H TRP A 61 92.255 7.589 1.579 1.00 0.00 H new ATOM 0 HA TRP A 61 91.418 8.008 4.453 1.00 0.00 H new ATOM 0 HB2 TRP A 61 91.415 5.489 2.685 1.00 0.00 H new ATOM 0 HB3 TRP A 61 91.196 5.456 4.423 1.00 0.00 H new ATOM 0 HD1 TRP A 61 89.311 5.710 1.292 1.00 0.00 H new ATOM 0 HE1 TRP A 61 86.836 6.319 1.693 1.00 0.00 H new ATOM 0 HE3 TRP A 61 89.635 7.290 6.155 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 85.244 7.398 3.835 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 87.623 8.117 7.332 1.00 0.00 H new ATOM 0 HH2 TRP A 61 85.428 8.162 6.187 1.00 0.00 H new ATOM 832 N LYS A 62 93.678 7.221 5.211 1.00 0.00 N ATOM 833 CA LYS A 62 95.110 6.973 5.577 1.00 0.00 C ATOM 834 C LYS A 62 95.213 5.760 6.512 1.00 0.00 C ATOM 835 O LYS A 62 94.428 5.609 7.428 1.00 0.00 O ATOM 836 CB LYS A 62 95.560 8.245 6.306 1.00 0.00 C ATOM 837 CG LYS A 62 97.025 8.106 6.733 1.00 0.00 C ATOM 838 CD LYS A 62 97.466 9.360 7.490 1.00 0.00 C ATOM 839 CE LYS A 62 98.916 9.190 7.951 1.00 0.00 C ATOM 840 NZ LYS A 62 99.263 10.474 8.623 1.00 0.00 N1+ ATOM 0 H LYS A 62 93.071 7.472 5.991 1.00 0.00 H new ATOM 0 HA LYS A 62 95.728 6.760 4.704 1.00 0.00 H new ATOM 0 HB2 LYS A 62 95.442 9.110 5.654 1.00 0.00 H new ATOM 0 HB3 LYS A 62 94.931 8.416 7.180 1.00 0.00 H new ATOM 0 HG2 LYS A 62 97.147 7.227 7.365 1.00 0.00 H new ATOM 0 HG3 LYS A 62 97.656 7.958 5.857 1.00 0.00 H new ATOM 0 HD2 LYS A 62 97.377 10.236 6.848 1.00 0.00 H new ATOM 0 HD3 LYS A 62 96.816 9.527 8.349 1.00 0.00 H new ATOM 0 HE2 LYS A 62 99.016 8.347 8.635 1.00 0.00 H new ATOM 0 HE3 LYS A 62 99.578 8.995 7.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 100.244 10.432 8.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 99.166 11.257 7.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 98.622 10.630 9.427 1.00 0.00 H new ATOM 854 N VAL A 63 96.170 4.893 6.278 1.00 0.00 N ATOM 855 CA VAL A 63 96.319 3.682 7.145 1.00 0.00 C ATOM 856 C VAL A 63 97.636 3.733 7.936 1.00 0.00 C ATOM 857 O VAL A 63 98.691 3.976 7.385 1.00 0.00 O ATOM 858 CB VAL A 63 96.315 2.494 6.174 1.00 0.00 C ATOM 859 CG1 VAL A 63 96.463 1.185 6.954 1.00 0.00 C ATOM 860 CG2 VAL A 63 94.994 2.472 5.399 1.00 0.00 C ATOM 0 H VAL A 63 96.853 4.972 5.525 1.00 0.00 H new ATOM 0 HA VAL A 63 95.520 3.610 7.883 1.00 0.00 H new ATOM 0 HB VAL A 63 97.148 2.598 5.479 1.00 0.00 H new ATOM 0 HG11 VAL A 63 96.459 0.345 6.259 1.00 0.00 H new ATOM 0 HG12 VAL A 63 97.403 1.195 7.507 1.00 0.00 H new ATOM 0 HG13 VAL A 63 95.632 1.082 7.652 1.00 0.00 H new ATOM 0 HG21 VAL A 63 94.991 1.628 4.709 1.00 0.00 H new ATOM 0 HG22 VAL A 63 94.164 2.372 6.098 1.00 0.00 H new ATOM 0 HG23 VAL A 63 94.886 3.400 4.838 1.00 0.00 H new ATOM 870 N THR A 64 97.566 3.520 9.227 1.00 0.00 N ATOM 871 CA THR A 64 98.788 3.562 10.092 1.00 0.00 C ATOM 872 C THR A 64 99.002 2.210 10.786 1.00 0.00 C ATOM 873 O THR A 64 98.052 1.536 11.140 1.00 0.00 O ATOM 874 CB THR A 64 98.478 4.638 11.136 1.00 0.00 C ATOM 875 OG1 THR A 64 98.137 5.850 10.478 1.00 0.00 O ATOM 876 CG2 THR A 64 99.708 4.865 12.019 1.00 0.00 C ATOM 0 H THR A 64 96.700 3.316 9.726 1.00 0.00 H new ATOM 0 HA THR A 64 99.691 3.774 9.520 1.00 0.00 H new ATOM 0 HB THR A 64 97.643 4.312 11.756 1.00 0.00 H new ATOM 0 HG1 THR A 64 97.937 6.539 11.145 1.00 0.00 H new ATOM 0 HG21 THR A 64 99.486 5.631 12.762 1.00 0.00 H new ATOM 0 HG22 THR A 64 99.970 3.935 12.524 1.00 0.00 H new ATOM 0 HG23 THR A 64 100.545 5.190 11.401 1.00 0.00 H new ATOM 884 N ILE A 65 100.236 1.803 10.976 1.00 0.00 N ATOM 885 CA ILE A 65 100.499 0.482 11.640 1.00 0.00 C ATOM 886 C ILE A 65 101.392 0.655 12.889 1.00 0.00 C ATOM 887 O ILE A 65 101.996 1.694 13.071 1.00 0.00 O ATOM 888 CB ILE A 65 101.185 -0.380 10.568 1.00 0.00 C ATOM 889 CG1 ILE A 65 102.419 0.347 10.019 1.00 0.00 C ATOM 890 CG2 ILE A 65 100.204 -0.643 9.427 1.00 0.00 C ATOM 891 CD1 ILE A 65 103.375 -0.670 9.394 1.00 0.00 C ATOM 0 H ILE A 65 101.069 2.324 10.702 1.00 0.00 H new ATOM 0 HA ILE A 65 99.581 0.016 11.998 1.00 0.00 H new ATOM 0 HB ILE A 65 101.496 -1.325 11.014 1.00 0.00 H new ATOM 0 HG12 ILE A 65 102.118 1.084 9.275 1.00 0.00 H new ATOM 0 HG13 ILE A 65 102.921 0.889 10.820 1.00 0.00 H new ATOM 0 HG21 ILE A 65 100.688 -1.254 8.665 1.00 0.00 H new ATOM 0 HG22 ILE A 65 99.330 -1.168 9.812 1.00 0.00 H new ATOM 0 HG23 ILE A 65 99.893 0.305 8.988 1.00 0.00 H new ATOM 0 HD11 ILE A 65 104.252 -0.153 9.004 1.00 0.00 H new ATOM 0 HD12 ILE A 65 103.685 -1.391 10.151 1.00 0.00 H new ATOM 0 HD13 ILE A 65 102.870 -1.192 8.581 1.00 0.00 H new ATOM 903 N PRO A 66 101.427 -0.371 13.729 1.00 0.00 N ATOM 904 CA PRO A 66 102.232 -0.320 14.991 1.00 0.00 C ATOM 905 C PRO A 66 103.731 -0.132 14.726 1.00 0.00 C ATOM 906 O PRO A 66 104.441 0.414 15.551 1.00 0.00 O ATOM 907 CB PRO A 66 101.961 -1.682 15.637 1.00 0.00 C ATOM 908 CG PRO A 66 101.549 -2.557 14.506 1.00 0.00 C ATOM 909 CD PRO A 66 100.744 -1.674 13.599 1.00 0.00 C ATOM 0 HA PRO A 66 101.954 0.527 15.619 1.00 0.00 H new ATOM 0 HB2 PRO A 66 102.850 -2.069 16.134 1.00 0.00 H new ATOM 0 HB3 PRO A 66 101.178 -1.614 16.392 1.00 0.00 H new ATOM 0 HG2 PRO A 66 102.417 -2.967 13.989 1.00 0.00 H new ATOM 0 HG3 PRO A 66 100.959 -3.403 14.858 1.00 0.00 H new ATOM 0 HD2 PRO A 66 100.752 -2.035 12.570 1.00 0.00 H new ATOM 0 HD3 PRO A 66 99.701 -1.618 13.909 1.00 0.00 H new ATOM 917 N ASN A 67 104.215 -0.559 13.589 1.00 0.00 N ATOM 918 CA ASN A 67 105.671 -0.381 13.280 1.00 0.00 C ATOM 919 C ASN A 67 106.005 1.110 13.206 1.00 0.00 C ATOM 920 O ASN A 67 107.039 1.556 13.666 1.00 0.00 O ATOM 921 CB ASN A 67 105.888 -1.052 11.922 1.00 0.00 C ATOM 922 CG ASN A 67 105.768 -2.571 12.069 1.00 0.00 C ATOM 923 OD1 ASN A 67 105.918 -3.103 13.153 1.00 0.00 O ATOM 924 ND2 ASN A 67 105.506 -3.298 11.018 1.00 0.00 N ATOM 0 H ASN A 67 103.670 -1.022 12.862 1.00 0.00 H new ATOM 0 HA ASN A 67 106.312 -0.819 14.045 1.00 0.00 H new ATOM 0 HB2 ASN A 67 105.153 -0.688 11.204 1.00 0.00 H new ATOM 0 HB3 ASN A 67 106.871 -0.792 11.531 1.00 0.00 H new ATOM 0 HD21 ASN A 67 105.427 -4.311 11.105 1.00 0.00 H new ATOM 0 HD22 ASN A 67 105.380 -2.853 10.109 1.00 0.00 H new ATOM 931 N GLY A 68 105.119 1.872 12.629 1.00 0.00 N ATOM 932 CA GLY A 68 105.344 3.340 12.511 1.00 0.00 C ATOM 933 C GLY A 68 105.470 3.714 11.039 1.00 0.00 C ATOM 934 O GLY A 68 106.486 4.216 10.598 1.00 0.00 O ATOM 0 H GLY A 68 104.241 1.538 12.231 1.00 0.00 H new ATOM 0 HA2 GLY A 68 104.517 3.884 12.967 1.00 0.00 H new ATOM 0 HA3 GLY A 68 106.248 3.625 13.049 1.00 0.00 H new ATOM 938 N ASN A 69 104.435 3.480 10.283 1.00 0.00 N ATOM 939 CA ASN A 69 104.457 3.821 8.835 1.00 0.00 C ATOM 940 C ASN A 69 103.024 3.901 8.320 1.00 0.00 C ATOM 941 O ASN A 69 102.134 3.271 8.865 1.00 0.00 O ATOM 942 CB ASN A 69 105.213 2.674 8.166 1.00 0.00 C ATOM 943 CG ASN A 69 105.712 3.121 6.791 1.00 0.00 C ATOM 944 OD1 ASN A 69 105.898 4.298 6.551 1.00 0.00 O ATOM 945 ND2 ASN A 69 105.938 2.225 5.870 1.00 0.00 N ATOM 0 H ASN A 69 103.564 3.062 10.611 1.00 0.00 H new ATOM 0 HA ASN A 69 104.933 4.780 8.631 1.00 0.00 H new ATOM 0 HB2 ASN A 69 106.055 2.368 8.788 1.00 0.00 H new ATOM 0 HB3 ASN A 69 104.561 1.807 8.063 1.00 0.00 H new ATOM 0 HD21 ASN A 69 106.270 2.512 4.950 1.00 0.00 H new ATOM 0 HD22 ASN A 69 105.782 1.237 6.070 1.00 0.00 H new ATOM 952 N SER A 70 102.782 4.669 7.290 1.00 0.00 N ATOM 953 CA SER A 70 101.391 4.778 6.767 1.00 0.00 C ATOM 954 C SER A 70 101.364 5.067 5.268 1.00 0.00 C ATOM 955 O SER A 70 102.308 5.567 4.688 1.00 0.00 O ATOM 956 CB SER A 70 100.760 5.927 7.551 1.00 0.00 C ATOM 957 OG SER A 70 101.374 7.150 7.167 1.00 0.00 O ATOM 0 H SER A 70 103.481 5.220 6.793 1.00 0.00 H new ATOM 0 HA SER A 70 100.849 3.841 6.894 1.00 0.00 H new ATOM 0 HB2 SER A 70 99.688 5.969 7.358 1.00 0.00 H new ATOM 0 HB3 SER A 70 100.885 5.764 8.621 1.00 0.00 H new ATOM 0 HG SER A 70 101.358 7.775 7.922 1.00 0.00 H new ATOM 963 N ILE A 71 100.258 4.753 4.653 1.00 0.00 N ATOM 964 CA ILE A 71 100.070 4.982 3.191 1.00 0.00 C ATOM 965 C ILE A 71 98.660 5.511 2.973 1.00 0.00 C ATOM 966 O ILE A 71 97.819 5.385 3.846 1.00 0.00 O ATOM 967 CB ILE A 71 100.228 3.607 2.521 1.00 0.00 C ATOM 968 CG1 ILE A 71 99.290 2.588 3.186 1.00 0.00 C ATOM 969 CG2 ILE A 71 101.680 3.132 2.628 1.00 0.00 C ATOM 970 CD1 ILE A 71 99.342 1.264 2.421 1.00 0.00 C ATOM 0 H ILE A 71 99.452 4.334 5.117 1.00 0.00 H new ATOM 0 HA ILE A 71 100.783 5.697 2.781 1.00 0.00 H new ATOM 0 HB ILE A 71 99.964 3.696 1.467 1.00 0.00 H new ATOM 0 HG12 ILE A 71 99.584 2.431 4.224 1.00 0.00 H new ATOM 0 HG13 ILE A 71 98.270 2.972 3.199 1.00 0.00 H new ATOM 0 HG21 ILE A 71 101.780 2.157 2.150 1.00 0.00 H new ATOM 0 HG22 ILE A 71 102.335 3.848 2.132 1.00 0.00 H new ATOM 0 HG23 ILE A 71 101.960 3.052 3.678 1.00 0.00 H new ATOM 0 HD11 ILE A 71 98.676 0.543 2.895 1.00 0.00 H new ATOM 0 HD12 ILE A 71 99.026 1.427 1.390 1.00 0.00 H new ATOM 0 HD13 ILE A 71 100.361 0.877 2.432 1.00 0.00 H new ATOM 982 N PHE A 72 98.379 6.101 1.837 1.00 0.00 N ATOM 983 CA PHE A 72 97.000 6.625 1.620 1.00 0.00 C ATOM 984 C PHE A 72 96.259 5.735 0.621 1.00 0.00 C ATOM 985 O PHE A 72 96.717 5.516 -0.482 1.00 0.00 O ATOM 986 CB PHE A 72 97.183 8.038 1.063 1.00 0.00 C ATOM 987 CG PHE A 72 97.927 8.887 2.067 1.00 0.00 C ATOM 988 CD1 PHE A 72 97.225 9.538 3.088 1.00 0.00 C ATOM 989 CD2 PHE A 72 99.318 9.022 1.977 1.00 0.00 C ATOM 990 CE1 PHE A 72 97.913 10.323 4.019 1.00 0.00 C ATOM 991 CE2 PHE A 72 100.006 9.808 2.909 1.00 0.00 C ATOM 992 CZ PHE A 72 99.304 10.459 3.930 1.00 0.00 C ATOM 0 H PHE A 72 99.032 6.240 1.066 1.00 0.00 H new ATOM 0 HA PHE A 72 96.411 6.635 2.537 1.00 0.00 H new ATOM 0 HB2 PHE A 72 97.735 8.001 0.124 1.00 0.00 H new ATOM 0 HB3 PHE A 72 96.212 8.482 0.845 1.00 0.00 H new ATOM 0 HD1 PHE A 72 96.152 9.434 3.157 1.00 0.00 H new ATOM 0 HD2 PHE A 72 99.860 8.520 1.189 1.00 0.00 H new ATOM 0 HE1 PHE A 72 97.371 10.825 4.807 1.00 0.00 H new ATOM 0 HE2 PHE A 72 101.079 9.912 2.840 1.00 0.00 H new ATOM 0 HZ PHE A 72 99.835 11.066 4.649 1.00 0.00 H new ATOM 1002 N ILE A 73 95.126 5.218 1.009 1.00 0.00 N ATOM 1003 CA ILE A 73 94.345 4.331 0.095 1.00 0.00 C ATOM 1004 C ILE A 73 92.998 4.983 -0.208 1.00 0.00 C ATOM 1005 O ILE A 73 92.319 5.441 0.691 1.00 0.00 O ATOM 1006 CB ILE A 73 94.159 3.018 0.867 1.00 0.00 C ATOM 1007 CG1 ILE A 73 95.533 2.408 1.201 1.00 0.00 C ATOM 1008 CG2 ILE A 73 93.348 2.026 0.023 1.00 0.00 C ATOM 1009 CD1 ILE A 73 96.325 2.126 -0.084 1.00 0.00 C ATOM 0 H ILE A 73 94.704 5.372 1.925 1.00 0.00 H new ATOM 0 HA ILE A 73 94.845 4.159 -0.858 1.00 0.00 H new ATOM 0 HB ILE A 73 93.622 3.225 1.793 1.00 0.00 H new ATOM 0 HG12 ILE A 73 96.095 3.091 1.839 1.00 0.00 H new ATOM 0 HG13 ILE A 73 95.400 1.484 1.763 1.00 0.00 H new ATOM 0 HG21 ILE A 73 93.220 1.096 0.577 1.00 0.00 H new ATOM 0 HG22 ILE A 73 92.370 2.453 -0.201 1.00 0.00 H new ATOM 0 HG23 ILE A 73 93.877 1.823 -0.908 1.00 0.00 H new ATOM 0 HD11 ILE A 73 97.293 1.695 0.172 1.00 0.00 H new ATOM 0 HD12 ILE A 73 95.770 1.425 -0.707 1.00 0.00 H new ATOM 0 HD13 ILE A 73 96.475 3.057 -0.630 1.00 0.00 H new ATOM 1021 N ARG A 74 92.603 5.045 -1.453 1.00 0.00 N ATOM 1022 CA ARG A 74 91.297 5.680 -1.776 1.00 0.00 C ATOM 1023 C ARG A 74 90.245 4.582 -1.951 1.00 0.00 C ATOM 1024 O ARG A 74 90.470 3.586 -2.610 1.00 0.00 O ATOM 1025 CB ARG A 74 91.548 6.468 -3.063 1.00 0.00 C ATOM 1026 CG ARG A 74 90.395 7.434 -3.320 1.00 0.00 C ATOM 1027 CD ARG A 74 90.779 8.382 -4.463 1.00 0.00 C ATOM 1028 NE ARG A 74 89.602 9.279 -4.640 1.00 0.00 N ATOM 1029 CZ ARG A 74 89.680 10.311 -5.435 1.00 0.00 C ATOM 1030 NH1 ARG A 74 90.741 11.071 -5.418 1.00 0.00 N ATOM 1031 NH2 ARG A 74 88.695 10.584 -6.246 1.00 0.00 N1+ ATOM 0 H ARG A 74 93.125 4.686 -2.252 1.00 0.00 H new ATOM 0 HA ARG A 74 90.923 6.344 -0.997 1.00 0.00 H new ATOM 0 HB2 ARG A 74 92.484 7.020 -2.984 1.00 0.00 H new ATOM 0 HB3 ARG A 74 91.652 5.782 -3.904 1.00 0.00 H new ATOM 0 HG2 ARG A 74 89.492 6.881 -3.578 1.00 0.00 H new ATOM 0 HG3 ARG A 74 90.174 8.004 -2.417 1.00 0.00 H new ATOM 0 HD2 ARG A 74 91.675 8.952 -4.217 1.00 0.00 H new ATOM 0 HD3 ARG A 74 90.994 7.829 -5.378 1.00 0.00 H new ATOM 0 HE ARG A 74 88.735 9.086 -4.139 1.00 0.00 H new ATOM 0 HH11 ARG A 74 91.510 10.859 -4.783 1.00 0.00 H new ATOM 0 HH12 ARG A 74 90.801 11.877 -6.040 1.00 0.00 H new ATOM 0 HH21 ARG A 74 87.865 9.991 -6.258 1.00 0.00 H new ATOM 0 HH22 ARG A 74 88.755 11.390 -6.868 1.00 0.00 H new ATOM 1045 N GLY A 75 89.107 4.752 -1.326 1.00 0.00 N ATOM 1046 CA GLY A 75 88.026 3.718 -1.396 1.00 0.00 C ATOM 1047 C GLY A 75 87.715 3.343 -2.845 1.00 0.00 C ATOM 1048 O GLY A 75 87.803 4.157 -3.744 1.00 0.00 O ATOM 0 H GLY A 75 88.877 5.572 -0.764 1.00 0.00 H new ATOM 0 HA2 GLY A 75 88.333 2.829 -0.845 1.00 0.00 H new ATOM 0 HA3 GLY A 75 87.125 4.097 -0.914 1.00 0.00 H new ATOM 1052 N VAL A 76 87.327 2.115 -3.064 1.00 0.00 N ATOM 1053 CA VAL A 76 86.976 1.646 -4.438 1.00 0.00 C ATOM 1054 C VAL A 76 86.098 0.374 -4.366 1.00 0.00 C ATOM 1055 O VAL A 76 85.212 0.193 -5.175 1.00 0.00 O ATOM 1056 CB VAL A 76 88.324 1.395 -5.156 1.00 0.00 C ATOM 1057 CG1 VAL A 76 89.002 0.098 -4.686 1.00 0.00 C ATOM 1058 CG2 VAL A 76 88.075 1.305 -6.663 1.00 0.00 C ATOM 0 H VAL A 76 87.237 1.405 -2.337 1.00 0.00 H new ATOM 0 HA VAL A 76 86.387 2.380 -4.988 1.00 0.00 H new ATOM 0 HB VAL A 76 88.988 2.225 -4.915 1.00 0.00 H new ATOM 0 HG11 VAL A 76 89.944 -0.034 -5.219 1.00 0.00 H new ATOM 0 HG12 VAL A 76 89.196 0.156 -3.615 1.00 0.00 H new ATOM 0 HG13 VAL A 76 88.348 -0.749 -4.891 1.00 0.00 H new ATOM 0 HG21 VAL A 76 89.019 1.128 -7.178 1.00 0.00 H new ATOM 0 HG22 VAL A 76 87.389 0.483 -6.870 1.00 0.00 H new ATOM 0 HG23 VAL A 76 87.639 2.239 -7.016 1.00 0.00 H new ATOM 1068 N ASP A 77 86.325 -0.499 -3.404 1.00 0.00 N ATOM 1069 CA ASP A 77 85.505 -1.748 -3.278 1.00 0.00 C ATOM 1070 C ASP A 77 84.971 -1.897 -1.846 1.00 0.00 C ATOM 1071 O ASP A 77 85.430 -1.241 -0.930 1.00 0.00 O ATOM 1072 CB ASP A 77 86.469 -2.894 -3.580 1.00 0.00 C ATOM 1073 CG ASP A 77 85.699 -4.220 -3.561 1.00 0.00 C ATOM 1074 OD1 ASP A 77 85.037 -4.517 -4.542 1.00 0.00 O ATOM 1075 OD2 ASP A 77 85.781 -4.915 -2.560 1.00 0.00 O1- ATOM 0 H ASP A 77 87.052 -0.395 -2.696 1.00 0.00 H new ATOM 0 HA ASP A 77 84.647 -1.733 -3.950 1.00 0.00 H new ATOM 0 HB2 ASP A 77 86.936 -2.745 -4.554 1.00 0.00 H new ATOM 0 HB3 ASP A 77 87.271 -2.915 -2.842 1.00 0.00 H new ATOM 1080 N SER A 78 84.007 -2.766 -1.655 1.00 0.00 N ATOM 1081 CA SER A 78 83.432 -2.982 -0.291 1.00 0.00 C ATOM 1082 C SER A 78 84.305 -3.946 0.512 1.00 0.00 C ATOM 1083 O SER A 78 85.085 -4.700 -0.041 1.00 0.00 O ATOM 1084 CB SER A 78 82.047 -3.583 -0.534 1.00 0.00 C ATOM 1085 OG SER A 78 82.181 -4.802 -1.252 1.00 0.00 O ATOM 0 H SER A 78 83.592 -3.338 -2.391 1.00 0.00 H new ATOM 0 HA SER A 78 83.380 -2.057 0.283 1.00 0.00 H new ATOM 0 HB2 SER A 78 81.544 -3.761 0.416 1.00 0.00 H new ATOM 0 HB3 SER A 78 81.428 -2.883 -1.096 1.00 0.00 H new ATOM 0 HG SER A 78 81.294 -5.189 -1.407 1.00 0.00 H new ATOM 1091 N GLY A 79 84.179 -3.923 1.814 1.00 0.00 N ATOM 1092 CA GLY A 79 84.997 -4.828 2.666 1.00 0.00 C ATOM 1093 C GLY A 79 84.087 -5.606 3.610 1.00 0.00 C ATOM 1094 O GLY A 79 83.193 -5.059 4.228 1.00 0.00 O ATOM 0 H GLY A 79 83.540 -3.312 2.323 1.00 0.00 H new ATOM 0 HA2 GLY A 79 85.564 -5.518 2.041 1.00 0.00 H new ATOM 0 HA3 GLY A 79 85.721 -4.248 3.239 1.00 0.00 H new ATOM 1098 N ARG A 80 84.328 -6.877 3.731 1.00 0.00 N ATOM 1099 CA ARG A 80 83.506 -7.729 4.643 1.00 0.00 C ATOM 1100 C ARG A 80 83.728 -7.292 6.093 1.00 0.00 C ATOM 1101 O ARG A 80 82.811 -7.245 6.891 1.00 0.00 O ATOM 1102 CB ARG A 80 84.035 -9.148 4.428 1.00 0.00 C ATOM 1103 CG ARG A 80 83.685 -9.613 3.014 1.00 0.00 C ATOM 1104 CD ARG A 80 84.344 -10.966 2.746 1.00 0.00 C ATOM 1105 NE ARG A 80 84.044 -11.262 1.317 1.00 0.00 N ATOM 1106 CZ ARG A 80 83.178 -12.186 1.010 1.00 0.00 C ATOM 1107 NH1 ARG A 80 83.361 -13.412 1.419 1.00 0.00 N ATOM 1108 NH2 ARG A 80 82.129 -11.886 0.295 1.00 0.00 N1+ ATOM 0 H ARG A 80 85.067 -7.373 3.233 1.00 0.00 H new ATOM 0 HA ARG A 80 82.437 -7.655 4.441 1.00 0.00 H new ATOM 0 HB2 ARG A 80 85.115 -9.171 4.573 1.00 0.00 H new ATOM 0 HB3 ARG A 80 83.600 -9.825 5.163 1.00 0.00 H new ATOM 0 HG2 ARG A 80 82.604 -9.695 2.904 1.00 0.00 H new ATOM 0 HG3 ARG A 80 84.026 -8.879 2.283 1.00 0.00 H new ATOM 0 HD2 ARG A 80 85.419 -10.924 2.924 1.00 0.00 H new ATOM 0 HD3 ARG A 80 83.942 -11.738 3.402 1.00 0.00 H new ATOM 0 HE ARG A 80 84.517 -10.741 0.578 1.00 0.00 H new ATOM 0 HH11 ARG A 80 84.181 -13.646 1.978 1.00 0.00 H new ATOM 0 HH12 ARG A 80 82.684 -14.136 1.179 1.00 0.00 H new ATOM 0 HH21 ARG A 80 81.986 -10.928 -0.024 1.00 0.00 H new ATOM 0 HH22 ARG A 80 81.451 -12.610 0.055 1.00 0.00 H new ATOM 1122 N GLY A 81 84.950 -6.979 6.423 1.00 0.00 N ATOM 1123 CA GLY A 81 85.277 -6.543 7.812 1.00 0.00 C ATOM 1124 C GLY A 81 86.784 -6.332 7.935 1.00 0.00 C ATOM 1125 O GLY A 81 87.468 -7.089 8.599 1.00 0.00 O ATOM 0 H GLY A 81 85.745 -7.007 5.784 1.00 0.00 H new ATOM 0 HA2 GLY A 81 84.749 -5.620 8.049 1.00 0.00 H new ATOM 0 HA3 GLY A 81 84.944 -7.294 8.529 1.00 0.00 H new ATOM 1129 N GLY A 82 87.305 -5.306 7.309 1.00 0.00 N ATOM 1130 CA GLY A 82 88.770 -5.052 7.405 1.00 0.00 C ATOM 1131 C GLY A 82 89.244 -4.169 6.250 1.00 0.00 C ATOM 1132 O GLY A 82 88.471 -3.510 5.582 1.00 0.00 O ATOM 0 H GLY A 82 86.782 -4.640 6.741 1.00 0.00 H new ATOM 0 HA2 GLY A 82 88.999 -4.570 8.355 1.00 0.00 H new ATOM 0 HA3 GLY A 82 89.310 -5.999 7.390 1.00 0.00 H new ATOM 1136 N PHE A 83 90.528 -4.158 6.032 1.00 0.00 N ATOM 1137 CA PHE A 83 91.136 -3.335 4.946 1.00 0.00 C ATOM 1138 C PHE A 83 91.941 -4.241 4.011 1.00 0.00 C ATOM 1139 O PHE A 83 92.683 -5.092 4.461 1.00 0.00 O ATOM 1140 CB PHE A 83 92.094 -2.385 5.686 1.00 0.00 C ATOM 1141 CG PHE A 83 91.880 -0.954 5.265 1.00 0.00 C ATOM 1142 CD1 PHE A 83 91.798 -0.613 3.909 1.00 0.00 C ATOM 1143 CD2 PHE A 83 91.792 0.040 6.243 1.00 0.00 C ATOM 1144 CE1 PHE A 83 91.624 0.726 3.537 1.00 0.00 C ATOM 1145 CE2 PHE A 83 91.616 1.373 5.873 1.00 0.00 C ATOM 1146 CZ PHE A 83 91.531 1.719 4.519 1.00 0.00 C ATOM 0 H PHE A 83 91.201 -4.699 6.575 1.00 0.00 H new ATOM 0 HA PHE A 83 90.394 -2.808 4.347 1.00 0.00 H new ATOM 0 HB2 PHE A 83 91.942 -2.477 6.761 1.00 0.00 H new ATOM 0 HB3 PHE A 83 93.125 -2.675 5.484 1.00 0.00 H new ATOM 0 HD1 PHE A 83 91.869 -1.380 3.152 1.00 0.00 H new ATOM 0 HD2 PHE A 83 91.860 -0.225 7.288 1.00 0.00 H new ATOM 0 HE1 PHE A 83 91.562 0.992 2.492 1.00 0.00 H new ATOM 0 HE2 PHE A 83 91.545 2.139 6.631 1.00 0.00 H new ATOM 0 HZ PHE A 83 91.394 2.751 4.233 1.00 0.00 H new ATOM 1156 N ASN A 84 91.826 -4.052 2.717 1.00 0.00 N ATOM 1157 CA ASN A 84 92.625 -4.898 1.778 1.00 0.00 C ATOM 1158 C ASN A 84 93.178 -4.009 0.662 1.00 0.00 C ATOM 1159 O ASN A 84 92.433 -3.284 0.037 1.00 0.00 O ATOM 1160 CB ASN A 84 91.639 -5.929 1.228 1.00 0.00 C ATOM 1161 CG ASN A 84 92.401 -6.989 0.428 1.00 0.00 C ATOM 1162 OD1 ASN A 84 93.391 -6.691 -0.209 1.00 0.00 O ATOM 1163 ND2 ASN A 84 91.980 -8.225 0.440 1.00 0.00 N ATOM 0 H ASN A 84 91.222 -3.358 2.277 1.00 0.00 H new ATOM 0 HA ASN A 84 93.473 -5.388 2.256 1.00 0.00 H new ATOM 0 HB2 ASN A 84 91.093 -6.399 2.046 1.00 0.00 H new ATOM 0 HB3 ASN A 84 90.901 -5.439 0.592 1.00 0.00 H new ATOM 0 HD21 ASN A 84 92.483 -8.940 -0.086 1.00 0.00 H new ATOM 0 HD22 ASN A 84 91.148 -8.475 0.975 1.00 0.00 H new ATOM 1170 N VAL A 85 94.462 -4.032 0.415 1.00 0.00 N ATOM 1171 CA VAL A 85 95.027 -3.147 -0.658 1.00 0.00 C ATOM 1172 C VAL A 85 95.985 -3.918 -1.558 1.00 0.00 C ATOM 1173 O VAL A 85 96.259 -5.078 -1.338 1.00 0.00 O ATOM 1174 CB VAL A 85 95.784 -2.034 0.081 1.00 0.00 C ATOM 1175 CG1 VAL A 85 94.796 -1.197 0.896 1.00 0.00 C ATOM 1176 CG2 VAL A 85 96.830 -2.647 1.022 1.00 0.00 C ATOM 0 H VAL A 85 95.141 -4.617 0.902 1.00 0.00 H new ATOM 0 HA VAL A 85 94.238 -2.754 -1.299 1.00 0.00 H new ATOM 0 HB VAL A 85 96.286 -1.400 -0.649 1.00 0.00 H new ATOM 0 HG11 VAL A 85 95.334 -0.407 1.420 1.00 0.00 H new ATOM 0 HG12 VAL A 85 94.059 -0.752 0.228 1.00 0.00 H new ATOM 0 HG13 VAL A 85 94.291 -1.835 1.621 1.00 0.00 H new ATOM 0 HG21 VAL A 85 97.362 -1.851 1.542 1.00 0.00 H new ATOM 0 HG22 VAL A 85 96.333 -3.288 1.751 1.00 0.00 H new ATOM 0 HG23 VAL A 85 97.539 -3.239 0.442 1.00 0.00 H new ATOM 1186 N ASN A 86 96.502 -3.280 -2.578 1.00 0.00 N ATOM 1187 CA ASN A 86 97.456 -3.986 -3.491 1.00 0.00 C ATOM 1188 C ASN A 86 98.638 -4.539 -2.673 1.00 0.00 C ATOM 1189 O ASN A 86 98.992 -3.973 -1.657 1.00 0.00 O ATOM 1190 CB ASN A 86 97.947 -2.916 -4.471 1.00 0.00 C ATOM 1191 CG ASN A 86 96.804 -2.490 -5.396 1.00 0.00 C ATOM 1192 OD1 ASN A 86 95.655 -2.814 -5.160 1.00 0.00 O ATOM 1193 ND2 ASN A 86 97.072 -1.765 -6.447 1.00 0.00 N ATOM 0 H ASN A 86 96.307 -2.308 -2.818 1.00 0.00 H new ATOM 0 HA ASN A 86 96.990 -4.824 -4.009 1.00 0.00 H new ATOM 0 HB2 ASN A 86 98.322 -2.053 -3.922 1.00 0.00 H new ATOM 0 HB3 ASN A 86 98.777 -3.304 -5.060 1.00 0.00 H new ATOM 0 HD21 ASN A 86 96.319 -1.471 -7.069 1.00 0.00 H new ATOM 0 HD22 ASN A 86 98.034 -1.492 -6.647 1.00 0.00 H new ATOM 1200 N PRO A 87 99.210 -5.627 -3.129 1.00 0.00 N ATOM 1201 CA PRO A 87 100.352 -6.234 -2.401 1.00 0.00 C ATOM 1202 C PRO A 87 101.549 -5.287 -2.386 1.00 0.00 C ATOM 1203 O PRO A 87 102.358 -5.343 -1.481 1.00 0.00 O ATOM 1204 CB PRO A 87 100.641 -7.519 -3.177 1.00 0.00 C ATOM 1205 CG PRO A 87 100.091 -7.266 -4.541 1.00 0.00 C ATOM 1206 CD PRO A 87 98.884 -6.385 -4.348 1.00 0.00 C ATOM 0 HA PRO A 87 100.136 -6.434 -1.352 1.00 0.00 H new ATOM 0 HB2 PRO A 87 101.710 -7.728 -3.213 1.00 0.00 H new ATOM 0 HB3 PRO A 87 100.163 -8.380 -2.710 1.00 0.00 H new ATOM 0 HG2 PRO A 87 100.831 -6.779 -5.176 1.00 0.00 H new ATOM 0 HG3 PRO A 87 99.817 -8.201 -5.030 1.00 0.00 H new ATOM 0 HD2 PRO A 87 98.726 -5.726 -5.202 1.00 0.00 H new ATOM 0 HD3 PRO A 87 97.973 -6.971 -4.226 1.00 0.00 H new ATOM 1214 N THR A 88 101.667 -4.400 -3.341 1.00 0.00 N ATOM 1215 CA THR A 88 102.813 -3.441 -3.324 1.00 0.00 C ATOM 1216 C THR A 88 102.612 -2.432 -2.190 1.00 0.00 C ATOM 1217 O THR A 88 103.544 -2.084 -1.490 1.00 0.00 O ATOM 1218 CB THR A 88 102.799 -2.749 -4.678 1.00 0.00 C ATOM 1219 OG1 THR A 88 102.903 -3.721 -5.708 1.00 0.00 O ATOM 1220 CG2 THR A 88 103.976 -1.776 -4.769 1.00 0.00 C ATOM 0 H THR A 88 101.024 -4.298 -4.127 1.00 0.00 H new ATOM 0 HA THR A 88 103.768 -3.938 -3.154 1.00 0.00 H new ATOM 0 HB THR A 88 101.866 -2.197 -4.794 1.00 0.00 H new ATOM 0 HG1 THR A 88 102.892 -3.275 -6.581 1.00 0.00 H new ATOM 0 HG21 THR A 88 103.965 -1.281 -5.740 1.00 0.00 H new ATOM 0 HG22 THR A 88 103.892 -1.029 -3.980 1.00 0.00 H new ATOM 0 HG23 THR A 88 104.911 -2.324 -4.652 1.00 0.00 H new ATOM 1228 N ALA A 89 101.396 -1.980 -1.987 1.00 0.00 N ATOM 1229 CA ALA A 89 101.136 -1.014 -0.876 1.00 0.00 C ATOM 1230 C ALA A 89 101.391 -1.730 0.445 1.00 0.00 C ATOM 1231 O ALA A 89 101.968 -1.181 1.364 1.00 0.00 O ATOM 1232 CB ALA A 89 99.660 -0.611 -1.010 1.00 0.00 C ATOM 0 H ALA A 89 100.578 -2.238 -2.540 1.00 0.00 H new ATOM 0 HA ALA A 89 101.776 -0.133 -0.914 1.00 0.00 H new ATOM 0 HB1 ALA A 89 99.404 0.098 -0.223 1.00 0.00 H new ATOM 0 HB2 ALA A 89 99.496 -0.148 -1.983 1.00 0.00 H new ATOM 0 HB3 ALA A 89 99.031 -1.497 -0.919 1.00 0.00 H new ATOM 1238 N PHE A 90 100.984 -2.965 0.528 1.00 0.00 N ATOM 1239 CA PHE A 90 101.217 -3.759 1.773 1.00 0.00 C ATOM 1240 C PHE A 90 102.717 -3.871 2.068 1.00 0.00 C ATOM 1241 O PHE A 90 103.158 -3.640 3.176 1.00 0.00 O ATOM 1242 CB PHE A 90 100.639 -5.144 1.484 1.00 0.00 C ATOM 1243 CG PHE A 90 100.662 -5.962 2.751 1.00 0.00 C ATOM 1244 CD1 PHE A 90 99.564 -5.935 3.619 1.00 0.00 C ATOM 1245 CD2 PHE A 90 101.781 -6.745 3.062 1.00 0.00 C ATOM 1246 CE1 PHE A 90 99.582 -6.690 4.797 1.00 0.00 C ATOM 1247 CE2 PHE A 90 101.799 -7.502 4.240 1.00 0.00 C ATOM 1248 CZ PHE A 90 100.700 -7.474 5.107 1.00 0.00 C ATOM 0 H PHE A 90 100.497 -3.464 -0.216 1.00 0.00 H new ATOM 0 HA PHE A 90 100.752 -3.290 2.640 1.00 0.00 H new ATOM 0 HB2 PHE A 90 99.618 -5.055 1.112 1.00 0.00 H new ATOM 0 HB3 PHE A 90 101.220 -5.639 0.706 1.00 0.00 H new ATOM 0 HD1 PHE A 90 98.702 -5.331 3.379 1.00 0.00 H new ATOM 0 HD2 PHE A 90 102.629 -6.765 2.394 1.00 0.00 H new ATOM 0 HE1 PHE A 90 98.735 -6.668 5.466 1.00 0.00 H new ATOM 0 HE2 PHE A 90 102.661 -8.107 4.480 1.00 0.00 H new ATOM 0 HZ PHE A 90 100.715 -8.058 6.016 1.00 0.00 H new ATOM 1258 N THR A 91 103.497 -4.257 1.089 1.00 0.00 N ATOM 1259 CA THR A 91 104.969 -4.428 1.312 1.00 0.00 C ATOM 1260 C THR A 91 105.603 -3.109 1.754 1.00 0.00 C ATOM 1261 O THR A 91 106.476 -3.078 2.595 1.00 0.00 O ATOM 1262 CB THR A 91 105.539 -4.839 -0.051 1.00 0.00 C ATOM 1263 OG1 THR A 91 104.897 -6.018 -0.501 1.00 0.00 O ATOM 1264 CG2 THR A 91 107.038 -5.111 0.083 1.00 0.00 C ATOM 0 H THR A 91 103.178 -4.462 0.142 1.00 0.00 H new ATOM 0 HA THR A 91 105.172 -5.164 2.090 1.00 0.00 H new ATOM 0 HB THR A 91 105.371 -4.033 -0.766 1.00 0.00 H new ATOM 0 HG1 THR A 91 104.056 -5.783 -0.946 1.00 0.00 H new ATOM 0 HG21 THR A 91 107.443 -5.403 -0.886 1.00 0.00 H new ATOM 0 HG22 THR A 91 107.542 -4.209 0.430 1.00 0.00 H new ATOM 0 HG23 THR A 91 107.199 -5.915 0.801 1.00 0.00 H new ATOM 1272 N LYS A 92 105.178 -2.030 1.165 1.00 0.00 N ATOM 1273 CA LYS A 92 105.763 -0.705 1.528 1.00 0.00 C ATOM 1274 C LYS A 92 105.341 -0.279 2.933 1.00 0.00 C ATOM 1275 O LYS A 92 106.121 0.284 3.678 1.00 0.00 O ATOM 1276 CB LYS A 92 105.208 0.278 0.504 1.00 0.00 C ATOM 1277 CG LYS A 92 105.826 0.002 -0.869 1.00 0.00 C ATOM 1278 CD LYS A 92 105.360 1.067 -1.866 1.00 0.00 C ATOM 1279 CE LYS A 92 103.844 0.966 -2.060 1.00 0.00 C ATOM 1280 NZ LYS A 92 103.514 2.010 -3.070 1.00 0.00 N1+ ATOM 0 H LYS A 92 104.452 -2.004 0.449 1.00 0.00 H new ATOM 0 HA LYS A 92 106.852 -0.743 1.523 1.00 0.00 H new ATOM 0 HB2 LYS A 92 104.123 0.187 0.450 1.00 0.00 H new ATOM 0 HB3 LYS A 92 105.427 1.300 0.812 1.00 0.00 H new ATOM 0 HG2 LYS A 92 106.914 0.008 -0.797 1.00 0.00 H new ATOM 0 HG3 LYS A 92 105.535 -0.989 -1.217 1.00 0.00 H new ATOM 0 HD2 LYS A 92 105.624 2.060 -1.502 1.00 0.00 H new ATOM 0 HD3 LYS A 92 105.868 0.932 -2.821 1.00 0.00 H new ATOM 0 HE2 LYS A 92 103.556 -0.026 -2.409 1.00 0.00 H new ATOM 0 HE3 LYS A 92 103.314 1.141 -1.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 102.482 2.072 -3.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 103.884 2.929 -2.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 103.946 1.759 -3.982 1.00 0.00 H new ATOM 1294 N LEU A 93 104.109 -0.521 3.285 1.00 0.00 N ATOM 1295 CA LEU A 93 103.621 -0.104 4.633 1.00 0.00 C ATOM 1296 C LEU A 93 104.225 -0.975 5.739 1.00 0.00 C ATOM 1297 O LEU A 93 104.649 -0.479 6.766 1.00 0.00 O ATOM 1298 CB LEU A 93 102.102 -0.285 4.573 1.00 0.00 C ATOM 1299 CG LEU A 93 101.469 0.114 5.910 1.00 0.00 C ATOM 1300 CD1 LEU A 93 101.593 1.631 6.114 1.00 0.00 C ATOM 1301 CD2 LEU A 93 99.992 -0.292 5.906 1.00 0.00 C ATOM 0 H LEU A 93 103.418 -0.989 2.699 1.00 0.00 H new ATOM 0 HA LEU A 93 103.909 0.921 4.867 1.00 0.00 H new ATOM 0 HB2 LEU A 93 101.687 0.324 3.770 1.00 0.00 H new ATOM 0 HB3 LEU A 93 101.861 -1.323 4.343 1.00 0.00 H new ATOM 0 HG LEU A 93 101.985 -0.394 6.725 1.00 0.00 H new ATOM 0 HD11 LEU A 93 101.141 1.908 7.066 1.00 0.00 H new ATOM 0 HD12 LEU A 93 102.646 1.913 6.116 1.00 0.00 H new ATOM 0 HD13 LEU A 93 101.080 2.150 5.304 1.00 0.00 H new ATOM 0 HD21 LEU A 93 99.535 -0.011 6.855 1.00 0.00 H new ATOM 0 HD22 LEU A 93 99.477 0.216 5.091 1.00 0.00 H new ATOM 0 HD23 LEU A 93 99.911 -1.370 5.770 1.00 0.00 H new ATOM 1313 N VAL A 94 104.228 -2.269 5.556 1.00 0.00 N ATOM 1314 CA VAL A 94 104.761 -3.181 6.621 1.00 0.00 C ATOM 1315 C VAL A 94 106.261 -3.424 6.446 1.00 0.00 C ATOM 1316 O VAL A 94 107.011 -3.458 7.403 1.00 0.00 O ATOM 1317 CB VAL A 94 103.978 -4.489 6.446 1.00 0.00 C ATOM 1318 CG1 VAL A 94 104.423 -5.509 7.498 1.00 0.00 C ATOM 1319 CG2 VAL A 94 102.478 -4.220 6.610 1.00 0.00 C ATOM 0 H VAL A 94 103.886 -2.737 4.717 1.00 0.00 H new ATOM 0 HA VAL A 94 104.639 -2.753 7.616 1.00 0.00 H new ATOM 0 HB VAL A 94 104.173 -4.886 5.450 1.00 0.00 H new ATOM 0 HG11 VAL A 94 103.863 -6.435 7.367 1.00 0.00 H new ATOM 0 HG12 VAL A 94 105.488 -5.710 7.382 1.00 0.00 H new ATOM 0 HG13 VAL A 94 104.236 -5.109 8.495 1.00 0.00 H new ATOM 0 HG21 VAL A 94 101.926 -5.151 6.485 1.00 0.00 H new ATOM 0 HG22 VAL A 94 102.287 -3.816 7.604 1.00 0.00 H new ATOM 0 HG23 VAL A 94 102.153 -3.501 5.858 1.00 0.00 H new ATOM 1329 N GLY A 95 106.694 -3.611 5.231 1.00 0.00 N ATOM 1330 CA GLY A 95 108.136 -3.873 4.967 1.00 0.00 C ATOM 1331 C GLY A 95 108.274 -5.174 4.172 1.00 0.00 C ATOM 1332 O GLY A 95 109.216 -5.357 3.426 1.00 0.00 O ATOM 0 H GLY A 95 106.103 -3.593 4.400 1.00 0.00 H new ATOM 0 HA2 GLY A 95 108.572 -3.044 4.410 1.00 0.00 H new ATOM 0 HA3 GLY A 95 108.682 -3.948 5.907 1.00 0.00 H new ATOM 1336 N SER A 96 107.333 -6.074 4.322 1.00 0.00 N ATOM 1337 CA SER A 96 107.393 -7.362 3.570 1.00 0.00 C ATOM 1338 C SER A 96 105.997 -7.989 3.491 1.00 0.00 C ATOM 1339 O SER A 96 105.107 -7.633 4.242 1.00 0.00 O ATOM 1340 CB SER A 96 108.342 -8.252 4.371 1.00 0.00 C ATOM 1341 OG SER A 96 107.892 -8.327 5.717 1.00 0.00 O ATOM 0 H SER A 96 106.524 -5.970 4.935 1.00 0.00 H new ATOM 0 HA SER A 96 107.739 -7.227 2.545 1.00 0.00 H new ATOM 0 HB2 SER A 96 108.381 -9.249 3.932 1.00 0.00 H new ATOM 0 HB3 SER A 96 109.354 -7.849 4.336 1.00 0.00 H new ATOM 0 HG SER A 96 108.498 -8.899 6.233 1.00 0.00 H new ATOM 1347 N THR A 97 105.799 -8.914 2.587 1.00 0.00 N ATOM 1348 CA THR A 97 104.457 -9.566 2.453 1.00 0.00 C ATOM 1349 C THR A 97 104.366 -10.840 3.306 1.00 0.00 C ATOM 1350 O THR A 97 103.363 -11.528 3.300 1.00 0.00 O ATOM 1351 CB THR A 97 104.327 -9.908 0.966 1.00 0.00 C ATOM 1352 OG1 THR A 97 105.379 -10.789 0.594 1.00 0.00 O ATOM 1353 CG2 THR A 97 104.414 -8.631 0.127 1.00 0.00 C ATOM 0 H THR A 97 106.508 -9.248 1.934 1.00 0.00 H new ATOM 0 HA THR A 97 103.658 -8.910 2.800 1.00 0.00 H new ATOM 0 HB THR A 97 103.364 -10.387 0.790 1.00 0.00 H new ATOM 0 HG1 THR A 97 105.298 -11.012 -0.357 1.00 0.00 H new ATOM 0 HG21 THR A 97 104.321 -8.883 -0.929 1.00 0.00 H new ATOM 0 HG22 THR A 97 103.609 -7.953 0.411 1.00 0.00 H new ATOM 0 HG23 THR A 97 105.375 -8.146 0.301 1.00 0.00 H new ATOM 1361 N GLU A 98 105.405 -11.160 4.029 1.00 0.00 N ATOM 1362 CA GLU A 98 105.397 -12.393 4.878 1.00 0.00 C ATOM 1363 C GLU A 98 104.330 -12.298 5.976 1.00 0.00 C ATOM 1364 O GLU A 98 103.744 -13.288 6.369 1.00 0.00 O ATOM 1365 CB GLU A 98 106.793 -12.455 5.502 1.00 0.00 C ATOM 1366 CG GLU A 98 107.826 -12.782 4.420 1.00 0.00 C ATOM 1367 CD GLU A 98 109.237 -12.848 5.028 1.00 0.00 C ATOM 1368 OE1 GLU A 98 109.380 -12.563 6.208 1.00 0.00 O ATOM 1369 OE2 GLU A 98 110.155 -13.179 4.295 1.00 0.00 O1- ATOM 0 H GLU A 98 106.268 -10.617 4.070 1.00 0.00 H new ATOM 0 HA GLU A 98 105.163 -13.282 4.292 1.00 0.00 H new ATOM 0 HB2 GLU A 98 107.034 -11.502 5.973 1.00 0.00 H new ATOM 0 HB3 GLU A 98 106.819 -13.213 6.285 1.00 0.00 H new ATOM 0 HG2 GLU A 98 107.581 -13.734 3.950 1.00 0.00 H new ATOM 0 HG3 GLU A 98 107.795 -12.023 3.638 1.00 0.00 H new ATOM 1376 N ALA A 99 104.094 -11.116 6.488 1.00 0.00 N ATOM 1377 CA ALA A 99 103.086 -10.949 7.584 1.00 0.00 C ATOM 1378 C ALA A 99 101.705 -11.459 7.158 1.00 0.00 C ATOM 1379 O ALA A 99 101.015 -12.098 7.932 1.00 0.00 O ATOM 1380 CB ALA A 99 103.033 -9.444 7.852 1.00 0.00 C ATOM 0 H ALA A 99 104.557 -10.256 6.194 1.00 0.00 H new ATOM 0 HA ALA A 99 103.365 -11.521 8.469 1.00 0.00 H new ATOM 0 HB1 ALA A 99 102.314 -9.241 8.646 1.00 0.00 H new ATOM 0 HB2 ALA A 99 104.019 -9.094 8.157 1.00 0.00 H new ATOM 0 HB3 ALA A 99 102.728 -8.923 6.944 1.00 0.00 H new ATOM 1386 N GLY A 100 101.294 -11.186 5.948 1.00 0.00 N ATOM 1387 CA GLY A 100 99.954 -11.659 5.490 1.00 0.00 C ATOM 1388 C GLY A 100 98.881 -10.662 5.935 1.00 0.00 C ATOM 1389 O GLY A 100 98.439 -9.829 5.166 1.00 0.00 O ATOM 0 H GLY A 100 101.827 -10.657 5.258 1.00 0.00 H new ATOM 0 HA2 GLY A 100 99.944 -11.760 4.405 1.00 0.00 H new ATOM 0 HA3 GLY A 100 99.744 -12.645 5.904 1.00 0.00 H new ATOM 1393 N ARG A 101 98.464 -10.741 7.175 1.00 0.00 N ATOM 1394 CA ARG A 101 97.422 -9.801 7.684 1.00 0.00 C ATOM 1395 C ARG A 101 97.895 -9.155 8.989 1.00 0.00 C ATOM 1396 O ARG A 101 98.437 -9.823 9.851 1.00 0.00 O ATOM 1397 CB ARG A 101 96.193 -10.663 7.945 1.00 0.00 C ATOM 1398 CG ARG A 101 94.990 -9.759 8.211 1.00 0.00 C ATOM 1399 CD ARG A 101 93.756 -10.613 8.493 1.00 0.00 C ATOM 1400 NE ARG A 101 93.549 -11.440 7.268 1.00 0.00 N ATOM 1401 CZ ARG A 101 92.682 -12.418 7.281 1.00 0.00 C ATOM 1402 NH1 ARG A 101 91.421 -12.167 7.505 1.00 0.00 N1+ ATOM 1403 NH2 ARG A 101 93.076 -13.644 7.073 1.00 0.00 N ATOM 0 H ARG A 101 98.803 -11.419 7.857 1.00 0.00 H new ATOM 0 HA ARG A 101 97.214 -8.999 6.976 1.00 0.00 H new ATOM 0 HB2 ARG A 101 95.997 -11.306 7.087 1.00 0.00 H new ATOM 0 HB3 ARG A 101 96.368 -11.316 8.800 1.00 0.00 H new ATOM 0 HG2 ARG A 101 95.194 -9.106 9.060 1.00 0.00 H new ATOM 0 HG3 ARG A 101 94.809 -9.115 7.350 1.00 0.00 H new ATOM 0 HD2 ARG A 101 93.908 -11.243 9.370 1.00 0.00 H new ATOM 0 HD3 ARG A 101 92.886 -9.989 8.696 1.00 0.00 H new ATOM 0 HE ARG A 101 94.083 -11.242 6.422 1.00 0.00 H new ATOM 0 HH11 ARG A 101 91.113 -11.209 7.670 1.00 0.00 H new ATOM 0 HH12 ARG A 101 90.743 -12.929 7.515 1.00 0.00 H new ATOM 0 HH21 ARG A 101 94.062 -13.840 6.900 1.00 0.00 H new ATOM 0 HH22 ARG A 101 92.398 -14.406 7.083 1.00 0.00 H new ATOM 1417 N VAL A 102 97.696 -7.867 9.150 1.00 0.00 N ATOM 1418 CA VAL A 102 98.143 -7.200 10.414 1.00 0.00 C ATOM 1419 C VAL A 102 96.941 -6.590 11.148 1.00 0.00 C ATOM 1420 O VAL A 102 96.271 -5.712 10.640 1.00 0.00 O ATOM 1421 CB VAL A 102 99.118 -6.102 9.975 1.00 0.00 C ATOM 1422 CG1 VAL A 102 99.687 -5.399 11.209 1.00 0.00 C ATOM 1423 CG2 VAL A 102 100.266 -6.718 9.169 1.00 0.00 C ATOM 0 H VAL A 102 97.248 -7.255 8.468 1.00 0.00 H new ATOM 0 HA VAL A 102 98.612 -7.904 11.101 1.00 0.00 H new ATOM 0 HB VAL A 102 98.587 -5.380 9.354 1.00 0.00 H new ATOM 0 HG11 VAL A 102 100.380 -4.618 10.896 1.00 0.00 H new ATOM 0 HG12 VAL A 102 98.873 -4.953 11.781 1.00 0.00 H new ATOM 0 HG13 VAL A 102 100.213 -6.124 11.830 1.00 0.00 H new ATOM 0 HG21 VAL A 102 100.956 -5.933 8.860 1.00 0.00 H new ATOM 0 HG22 VAL A 102 100.796 -7.444 9.786 1.00 0.00 H new ATOM 0 HG23 VAL A 102 99.865 -7.217 8.287 1.00 0.00 H new ATOM 1433 N ASP A 103 96.666 -7.067 12.335 1.00 0.00 N ATOM 1434 CA ASP A 103 95.504 -6.541 13.114 1.00 0.00 C ATOM 1435 C ASP A 103 95.893 -5.270 13.871 1.00 0.00 C ATOM 1436 O ASP A 103 97.047 -4.895 13.932 1.00 0.00 O ATOM 1437 CB ASP A 103 95.139 -7.658 14.093 1.00 0.00 C ATOM 1438 CG ASP A 103 94.706 -8.911 13.324 1.00 0.00 C ATOM 1439 OD1 ASP A 103 94.245 -8.771 12.203 1.00 0.00 O ATOM 1440 OD2 ASP A 103 94.844 -9.992 13.872 1.00 0.00 O1- ATOM 0 H ASP A 103 97.199 -7.802 12.801 1.00 0.00 H new ATOM 0 HA ASP A 103 94.668 -6.276 12.467 1.00 0.00 H new ATOM 0 HB2 ASP A 103 95.994 -7.889 14.728 1.00 0.00 H new ATOM 0 HB3 ASP A 103 94.334 -7.328 14.749 1.00 0.00 H new ATOM 1445 N ASN A 104 94.922 -4.609 14.459 1.00 0.00 N ATOM 1446 CA ASN A 104 95.194 -3.352 15.239 1.00 0.00 C ATOM 1447 C ASN A 104 95.722 -2.241 14.326 1.00 0.00 C ATOM 1448 O ASN A 104 96.755 -1.651 14.591 1.00 0.00 O ATOM 1449 CB ASN A 104 96.253 -3.723 16.296 1.00 0.00 C ATOM 1450 CG ASN A 104 96.250 -2.701 17.441 1.00 0.00 C ATOM 1451 OD1 ASN A 104 96.010 -3.052 18.580 1.00 0.00 O ATOM 1452 ND2 ASN A 104 96.529 -1.449 17.196 1.00 0.00 N ATOM 0 H ASN A 104 93.941 -4.888 14.433 1.00 0.00 H new ATOM 0 HA ASN A 104 94.281 -2.975 15.699 1.00 0.00 H new ATOM 0 HB2 ASN A 104 96.050 -4.719 16.689 1.00 0.00 H new ATOM 0 HB3 ASN A 104 97.240 -3.758 15.834 1.00 0.00 H new ATOM 0 HD21 ASN A 104 96.545 -0.771 17.958 1.00 0.00 H new ATOM 0 HD22 ASN A 104 96.731 -1.149 16.242 1.00 0.00 H new ATOM 1459 N VAL A 105 95.032 -1.960 13.250 1.00 0.00 N ATOM 1460 CA VAL A 105 95.521 -0.890 12.326 1.00 0.00 C ATOM 1461 C VAL A 105 94.709 0.397 12.513 1.00 0.00 C ATOM 1462 O VAL A 105 93.494 0.378 12.501 1.00 0.00 O ATOM 1463 CB VAL A 105 95.340 -1.449 10.911 1.00 0.00 C ATOM 1464 CG1 VAL A 105 95.844 -0.428 9.882 1.00 0.00 C ATOM 1465 CG2 VAL A 105 96.127 -2.763 10.766 1.00 0.00 C ATOM 0 H VAL A 105 94.163 -2.417 12.973 1.00 0.00 H new ATOM 0 HA VAL A 105 96.562 -0.633 12.522 1.00 0.00 H new ATOM 0 HB VAL A 105 94.282 -1.643 10.736 1.00 0.00 H new ATOM 0 HG11 VAL A 105 95.713 -0.829 8.877 1.00 0.00 H new ATOM 0 HG12 VAL A 105 95.276 0.497 9.980 1.00 0.00 H new ATOM 0 HG13 VAL A 105 96.901 -0.226 10.058 1.00 0.00 H new ATOM 0 HG21 VAL A 105 95.995 -3.157 9.758 1.00 0.00 H new ATOM 0 HG22 VAL A 105 97.185 -2.575 10.947 1.00 0.00 H new ATOM 0 HG23 VAL A 105 95.759 -3.490 11.490 1.00 0.00 H new ATOM 1475 N ASN A 106 95.371 1.515 12.685 1.00 0.00 N ATOM 1476 CA ASN A 106 94.624 2.795 12.865 1.00 0.00 C ATOM 1477 C ASN A 106 94.397 3.453 11.502 1.00 0.00 C ATOM 1478 O ASN A 106 95.259 3.463 10.648 1.00 0.00 O ATOM 1479 CB ASN A 106 95.481 3.664 13.782 1.00 0.00 C ATOM 1480 CG ASN A 106 94.697 4.913 14.184 1.00 0.00 C ATOM 1481 OD1 ASN A 106 95.008 6.005 13.750 1.00 0.00 O ATOM 1482 ND2 ASN A 106 93.688 4.801 15.003 1.00 0.00 N ATOM 0 H ASN A 106 96.388 1.595 12.708 1.00 0.00 H new ATOM 0 HA ASN A 106 93.640 2.642 13.307 1.00 0.00 H new ATOM 0 HB2 ASN A 106 95.768 3.101 14.670 1.00 0.00 H new ATOM 0 HB3 ASN A 106 96.402 3.948 13.274 1.00 0.00 H new ATOM 0 HD21 ASN A 106 93.161 5.629 15.279 1.00 0.00 H new ATOM 0 HD22 ASN A 106 93.426 3.885 15.368 1.00 0.00 H new ATOM 1489 N TYR A 107 93.218 3.974 11.298 1.00 0.00 N ATOM 1490 CA TYR A 107 92.875 4.612 9.990 1.00 0.00 C ATOM 1491 C TYR A 107 92.045 5.888 10.205 1.00 0.00 C ATOM 1492 O TYR A 107 91.250 5.963 11.123 1.00 0.00 O ATOM 1493 CB TYR A 107 92.042 3.538 9.276 1.00 0.00 C ATOM 1494 CG TYR A 107 90.800 3.216 10.079 1.00 0.00 C ATOM 1495 CD1 TYR A 107 90.841 2.216 11.056 1.00 0.00 C ATOM 1496 CD2 TYR A 107 89.618 3.923 9.845 1.00 0.00 C ATOM 1497 CE1 TYR A 107 89.695 1.919 11.802 1.00 0.00 C ATOM 1498 CE2 TYR A 107 88.471 3.630 10.587 1.00 0.00 C ATOM 1499 CZ TYR A 107 88.508 2.628 11.568 1.00 0.00 C ATOM 1500 OH TYR A 107 87.375 2.338 12.302 1.00 0.00 O ATOM 0 H TYR A 107 92.467 3.986 11.989 1.00 0.00 H new ATOM 0 HA TYR A 107 93.755 4.917 9.423 1.00 0.00 H new ATOM 0 HB2 TYR A 107 91.761 3.887 8.283 1.00 0.00 H new ATOM 0 HB3 TYR A 107 92.639 2.636 9.140 1.00 0.00 H new ATOM 0 HD1 TYR A 107 91.757 1.673 11.235 1.00 0.00 H new ATOM 0 HD2 TYR A 107 89.591 4.696 9.091 1.00 0.00 H new ATOM 0 HE1 TYR A 107 89.725 1.146 12.556 1.00 0.00 H new ATOM 0 HE2 TYR A 107 87.556 4.175 10.405 1.00 0.00 H new ATOM 0 HH TYR A 107 86.641 2.921 12.015 1.00 0.00 H new ATOM 1510 N VAL A 108 92.219 6.889 9.371 1.00 0.00 N ATOM 1511 CA VAL A 108 91.430 8.152 9.543 1.00 0.00 C ATOM 1512 C VAL A 108 91.212 8.859 8.200 1.00 0.00 C ATOM 1513 O VAL A 108 92.016 8.754 7.294 1.00 0.00 O ATOM 1514 CB VAL A 108 92.262 9.036 10.479 1.00 0.00 C ATOM 1515 CG1 VAL A 108 92.397 8.357 11.844 1.00 0.00 C ATOM 1516 CG2 VAL A 108 93.655 9.263 9.882 1.00 0.00 C ATOM 0 H VAL A 108 92.868 6.886 8.585 1.00 0.00 H new ATOM 0 HA VAL A 108 90.440 7.943 9.949 1.00 0.00 H new ATOM 0 HB VAL A 108 91.761 9.997 10.598 1.00 0.00 H new ATOM 0 HG11 VAL A 108 92.989 8.988 12.507 1.00 0.00 H new ATOM 0 HG12 VAL A 108 91.407 8.206 12.275 1.00 0.00 H new ATOM 0 HG13 VAL A 108 92.891 7.393 11.724 1.00 0.00 H new ATOM 0 HG21 VAL A 108 94.240 9.892 10.553 1.00 0.00 H new ATOM 0 HG22 VAL A 108 94.157 8.304 9.754 1.00 0.00 H new ATOM 0 HG23 VAL A 108 93.560 9.755 8.914 1.00 0.00 H new ATOM 1526 N GLN A 109 90.133 9.593 8.081 1.00 0.00 N ATOM 1527 CA GLN A 109 89.852 10.336 6.813 1.00 0.00 C ATOM 1528 C GLN A 109 90.798 11.524 6.670 1.00 0.00 C ATOM 1529 O GLN A 109 91.090 12.216 7.628 1.00 0.00 O ATOM 1530 CB GLN A 109 88.419 10.855 6.947 1.00 0.00 C ATOM 1531 CG GLN A 109 87.954 11.413 5.602 1.00 0.00 C ATOM 1532 CD GLN A 109 86.469 11.769 5.678 1.00 0.00 C ATOM 1533 OE1 GLN A 109 85.990 12.217 6.700 1.00 0.00 O ATOM 1534 NE2 GLN A 109 85.713 11.589 4.628 1.00 0.00 N ATOM 0 H GLN A 109 89.431 9.710 8.812 1.00 0.00 H new ATOM 0 HA GLN A 109 89.985 9.693 5.943 1.00 0.00 H new ATOM 0 HB2 GLN A 109 87.757 10.050 7.268 1.00 0.00 H new ATOM 0 HB3 GLN A 109 88.371 11.631 7.711 1.00 0.00 H new ATOM 0 HG2 GLN A 109 88.537 12.297 5.343 1.00 0.00 H new ATOM 0 HG3 GLN A 109 88.122 10.678 4.815 1.00 0.00 H new ATOM 0 HE21 GLN A 109 86.114 11.213 3.769 1.00 0.00 H new ATOM 0 HE22 GLN A 109 84.721 11.825 4.667 1.00 0.00 H new ATOM 1543 N VAL A 110 91.256 11.781 5.473 1.00 0.00 N ATOM 1544 CA VAL A 110 92.160 12.945 5.252 1.00 0.00 C ATOM 1545 C VAL A 110 91.738 13.674 3.969 1.00 0.00 C ATOM 1546 O VAL A 110 90.912 13.183 3.222 1.00 0.00 O ATOM 1547 CB VAL A 110 93.583 12.373 5.135 1.00 0.00 C ATOM 1548 CG1 VAL A 110 94.033 11.858 6.506 1.00 0.00 C ATOM 1549 CG2 VAL A 110 93.622 11.222 4.115 1.00 0.00 C ATOM 0 H VAL A 110 91.042 11.234 4.639 1.00 0.00 H new ATOM 0 HA VAL A 110 92.113 13.668 6.066 1.00 0.00 H new ATOM 0 HB VAL A 110 94.254 13.162 4.794 1.00 0.00 H new ATOM 0 HG11 VAL A 110 95.041 11.451 6.429 1.00 0.00 H new ATOM 0 HG12 VAL A 110 94.027 12.679 7.223 1.00 0.00 H new ATOM 0 HG13 VAL A 110 93.352 11.077 6.843 1.00 0.00 H new ATOM 0 HG21 VAL A 110 94.637 10.831 4.047 1.00 0.00 H new ATOM 0 HG22 VAL A 110 92.948 10.428 4.436 1.00 0.00 H new ATOM 0 HG23 VAL A 110 93.309 11.591 3.138 1.00 0.00 H new ATOM 1559 N ASP A 111 92.282 14.836 3.708 1.00 0.00 N ATOM 1560 CA ASP A 111 91.889 15.588 2.471 1.00 0.00 C ATOM 1561 C ASP A 111 92.296 14.811 1.214 1.00 0.00 C ATOM 1562 O ASP A 111 93.278 14.092 1.205 1.00 0.00 O ATOM 1563 CB ASP A 111 92.638 16.918 2.547 1.00 0.00 C ATOM 1564 CG ASP A 111 92.049 17.782 3.668 1.00 0.00 C ATOM 1565 OD1 ASP A 111 90.869 17.637 3.947 1.00 0.00 O ATOM 1566 OD2 ASP A 111 92.788 18.574 4.228 1.00 0.00 O1- ATOM 0 H ASP A 111 92.978 15.297 4.293 1.00 0.00 H new ATOM 0 HA ASP A 111 90.810 15.734 2.413 1.00 0.00 H new ATOM 0 HB2 ASP A 111 93.697 16.739 2.731 1.00 0.00 H new ATOM 0 HB3 ASP A 111 92.564 17.442 1.594 1.00 0.00 H new ATOM 1571 N LEU A 112 91.541 14.953 0.151 1.00 0.00 N ATOM 1572 CA LEU A 112 91.862 14.229 -1.120 1.00 0.00 C ATOM 1573 C LEU A 112 93.246 14.626 -1.638 1.00 0.00 C ATOM 1574 O LEU A 112 93.982 13.804 -2.147 1.00 0.00 O ATOM 1575 CB LEU A 112 90.779 14.653 -2.116 1.00 0.00 C ATOM 1576 CG LEU A 112 91.017 13.963 -3.465 1.00 0.00 C ATOM 1577 CD1 LEU A 112 89.682 13.718 -4.169 1.00 0.00 C ATOM 1578 CD2 LEU A 112 91.896 14.857 -4.342 1.00 0.00 C ATOM 0 H LEU A 112 90.710 15.544 0.109 1.00 0.00 H new ATOM 0 HA LEU A 112 91.880 13.149 -0.972 1.00 0.00 H new ATOM 0 HB2 LEU A 112 89.794 14.389 -1.731 1.00 0.00 H new ATOM 0 HB3 LEU A 112 90.792 15.735 -2.243 1.00 0.00 H new ATOM 0 HG LEU A 112 91.513 13.007 -3.296 1.00 0.00 H new ATOM 0 HD11 LEU A 112 89.860 13.228 -5.126 1.00 0.00 H new ATOM 0 HD12 LEU A 112 89.054 13.081 -3.546 1.00 0.00 H new ATOM 0 HD13 LEU A 112 89.179 14.670 -4.337 1.00 0.00 H new ATOM 0 HD21 LEU A 112 92.067 14.370 -5.302 1.00 0.00 H new ATOM 0 HD22 LEU A 112 91.396 15.812 -4.504 1.00 0.00 H new ATOM 0 HD23 LEU A 112 92.851 15.027 -3.846 1.00 0.00 H new ATOM 1590 N SER A 113 93.593 15.885 -1.540 1.00 0.00 N ATOM 1591 CA SER A 113 94.924 16.344 -2.053 1.00 0.00 C ATOM 1592 C SER A 113 96.053 15.481 -1.474 1.00 0.00 C ATOM 1593 O SER A 113 97.015 15.178 -2.146 1.00 0.00 O ATOM 1594 CB SER A 113 95.061 17.789 -1.573 1.00 0.00 C ATOM 1595 OG SER A 113 95.178 17.804 -0.156 1.00 0.00 O ATOM 0 H SER A 113 93.014 16.616 -1.127 1.00 0.00 H new ATOM 0 HA SER A 113 94.990 16.264 -3.138 1.00 0.00 H new ATOM 0 HB2 SER A 113 95.936 18.254 -2.027 1.00 0.00 H new ATOM 0 HB3 SER A 113 94.194 18.371 -1.884 1.00 0.00 H new ATOM 0 HG SER A 113 95.268 18.729 0.155 1.00 0.00 H new ATOM 1601 N ASN A 114 95.934 15.089 -0.235 1.00 0.00 N ATOM 1602 CA ASN A 114 96.991 14.243 0.404 1.00 0.00 C ATOM 1603 C ASN A 114 97.094 12.877 -0.283 1.00 0.00 C ATOM 1604 O ASN A 114 98.174 12.357 -0.476 1.00 0.00 O ATOM 1605 CB ASN A 114 96.561 14.081 1.863 1.00 0.00 C ATOM 1606 CG ASN A 114 96.711 15.418 2.595 1.00 0.00 C ATOM 1607 OD1 ASN A 114 97.442 16.286 2.160 1.00 0.00 O ATOM 1608 ND2 ASN A 114 96.044 15.622 3.697 1.00 0.00 N ATOM 0 H ASN A 114 95.145 15.319 0.369 1.00 0.00 H new ATOM 0 HA ASN A 114 97.975 14.705 0.320 1.00 0.00 H new ATOM 0 HB2 ASN A 114 95.526 13.742 1.912 1.00 0.00 H new ATOM 0 HB3 ASN A 114 97.169 13.318 2.349 1.00 0.00 H new ATOM 0 HD21 ASN A 114 96.136 16.509 4.192 1.00 0.00 H new ATOM 0 HD22 ASN A 114 95.430 14.895 4.064 1.00 0.00 H new ATOM 1615 N CYS A 115 95.981 12.297 -0.657 1.00 0.00 N ATOM 1616 CA CYS A 115 96.019 10.966 -1.343 1.00 0.00 C ATOM 1617 C CYS A 115 96.823 11.067 -2.640 1.00 0.00 C ATOM 1618 O CYS A 115 97.700 10.266 -2.904 1.00 0.00 O ATOM 1619 CB CYS A 115 94.558 10.634 -1.667 1.00 0.00 C ATOM 1620 SG CYS A 115 93.871 9.554 -0.387 1.00 0.00 S ATOM 0 H CYS A 115 95.048 12.686 -0.518 1.00 0.00 H new ATOM 0 HA CYS A 115 96.487 10.203 -0.721 1.00 0.00 H new ATOM 0 HB2 CYS A 115 93.974 11.552 -1.732 1.00 0.00 H new ATOM 0 HB3 CYS A 115 94.494 10.146 -2.639 1.00 0.00 H new ATOM 1625 N ILE A 116 96.514 12.039 -3.454 1.00 0.00 N ATOM 1626 CA ILE A 116 97.239 12.200 -4.752 1.00 0.00 C ATOM 1627 C ILE A 116 98.684 12.656 -4.515 1.00 0.00 C ATOM 1628 O ILE A 116 99.597 12.205 -5.182 1.00 0.00 O ATOM 1629 CB ILE A 116 96.448 13.260 -5.528 1.00 0.00 C ATOM 1630 CG1 ILE A 116 95.014 12.771 -5.743 1.00 0.00 C ATOM 1631 CG2 ILE A 116 97.100 13.511 -6.890 1.00 0.00 C ATOM 1632 CD1 ILE A 116 94.166 13.908 -6.316 1.00 0.00 C ATOM 0 H ILE A 116 95.788 12.733 -3.277 1.00 0.00 H new ATOM 0 HA ILE A 116 97.301 11.261 -5.302 1.00 0.00 H new ATOM 0 HB ILE A 116 96.443 14.187 -4.954 1.00 0.00 H new ATOM 0 HG12 ILE A 116 95.007 11.920 -6.424 1.00 0.00 H new ATOM 0 HG13 ILE A 116 94.590 12.428 -4.799 1.00 0.00 H new ATOM 0 HG21 ILE A 116 96.530 14.265 -7.433 1.00 0.00 H new ATOM 0 HG22 ILE A 116 98.122 13.862 -6.745 1.00 0.00 H new ATOM 0 HG23 ILE A 116 97.113 12.584 -7.463 1.00 0.00 H new ATOM 0 HD11 ILE A 116 93.145 13.559 -6.469 1.00 0.00 H new ATOM 0 HD12 ILE A 116 94.162 14.746 -5.619 1.00 0.00 H new ATOM 0 HD13 ILE A 116 94.586 14.230 -7.269 1.00 0.00 H new ATOM 1644 N ASN A 117 98.898 13.545 -3.580 1.00 0.00 N ATOM 1645 CA ASN A 117 100.289 14.030 -3.311 1.00 0.00 C ATOM 1646 C ASN A 117 101.176 12.877 -2.827 1.00 0.00 C ATOM 1647 O ASN A 117 102.330 12.772 -3.200 1.00 0.00 O ATOM 1648 CB ASN A 117 100.141 15.087 -2.215 1.00 0.00 C ATOM 1649 CG ASN A 117 99.452 16.326 -2.791 1.00 0.00 C ATOM 1650 OD1 ASN A 117 99.550 16.597 -3.972 1.00 0.00 O ATOM 1651 ND2 ASN A 117 98.752 17.094 -2.002 1.00 0.00 N ATOM 0 H ASN A 117 98.174 13.956 -2.991 1.00 0.00 H new ATOM 0 HA ASN A 117 100.759 14.435 -4.207 1.00 0.00 H new ATOM 0 HB2 ASN A 117 99.559 14.687 -1.385 1.00 0.00 H new ATOM 0 HB3 ASN A 117 101.120 15.354 -1.818 1.00 0.00 H new ATOM 0 HD21 ASN A 117 98.287 17.921 -2.376 1.00 0.00 H new ATOM 0 HD22 ASN A 117 98.669 16.867 -1.011 1.00 0.00 H new ATOM 1658 N GLY A 118 100.644 12.018 -1.997 1.00 0.00 N ATOM 1659 CA GLY A 118 101.444 10.870 -1.474 1.00 0.00 C ATOM 1660 C GLY A 118 101.654 9.828 -2.575 1.00 0.00 C ATOM 1661 O GLY A 118 102.752 9.343 -2.780 1.00 0.00 O ATOM 0 H GLY A 118 99.683 12.063 -1.657 1.00 0.00 H new ATOM 0 HA2 GLY A 118 102.408 11.225 -1.110 1.00 0.00 H new ATOM 0 HA3 GLY A 118 100.931 10.416 -0.626 1.00 0.00 H new ATOM 1665 N ALA A 119 100.607 9.471 -3.275 1.00 0.00 N ATOM 1666 CA ALA A 119 100.735 8.445 -4.358 1.00 0.00 C ATOM 1667 C ALA A 119 101.724 8.910 -5.430 1.00 0.00 C ATOM 1668 O ALA A 119 102.515 8.133 -5.932 1.00 0.00 O ATOM 1669 CB ALA A 119 99.331 8.310 -4.950 1.00 0.00 C ATOM 0 H ALA A 119 99.667 9.845 -3.144 1.00 0.00 H new ATOM 0 HA ALA A 119 101.111 7.497 -3.975 1.00 0.00 H new ATOM 0 HB1 ALA A 119 99.344 7.573 -5.753 1.00 0.00 H new ATOM 0 HB2 ALA A 119 98.638 7.988 -4.173 1.00 0.00 H new ATOM 0 HB3 ALA A 119 99.009 9.273 -5.347 1.00 0.00 H new ATOM 1675 N ASN A 120 101.682 10.168 -5.786 1.00 0.00 N ATOM 1676 CA ASN A 120 102.616 10.687 -6.829 1.00 0.00 C ATOM 1677 C ASN A 120 103.950 11.089 -6.194 1.00 0.00 C ATOM 1678 O ASN A 120 104.353 10.433 -5.247 1.00 0.00 O ATOM 1679 CB ASN A 120 101.912 11.907 -7.421 1.00 0.00 C ATOM 1680 CG ASN A 120 102.575 12.287 -8.746 1.00 0.00 C ATOM 1681 OD1 ASN A 120 103.181 11.460 -9.398 1.00 0.00 O ATOM 1682 ND2 ASN A 120 102.483 13.517 -9.178 1.00 0.00 N ATOM 1683 OXT ASN A 120 104.545 12.044 -6.665 1.00 0.00 O ATOM 0 H ASN A 120 101.040 10.859 -5.398 1.00 0.00 H new ATOM 0 HA ASN A 120 102.841 9.939 -7.590 1.00 0.00 H new ATOM 0 HB2 ASN A 120 100.856 11.689 -7.580 1.00 0.00 H new ATOM 0 HB3 ASN A 120 101.963 12.743 -6.724 1.00 0.00 H new ATOM 0 HD21 ASN A 120 102.920 13.781 -10.061 1.00 0.00 H new ATOM 0 HD22 ASN A 120 101.975 14.213 -8.632 1.00 0.00 H new TER 1690 ASN A 120