USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 827 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 MET N :NH3+ 169:sc= 0.0245 (180deg=0) USER MOD Set 1.2: A 44 GLN : amide:sc= 0.0129 K(o=0.037,f=-1.3) USER MOD Single : A 1 MET CE :methyl -122:sc= -0.689 (180deg=-3.87!) USER MOD Single : A 3 ASN : amide:sc= -0.185 K(o=-0.18,f=-2.6!) USER MOD Single : A 9 CYS SG : rot -26:sc= 0.654 USER MOD Single : A 10 GLN : amide:sc= -0.254 X(o=-0.25,f=-0.25) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.161 X(o=-0.16,f=-0.2) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.144 K(o=-0.14,f=-1.8) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0.0209 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS :FLIP no HD1:sc= -0.0612 F(o=-0.7,f=-0.061) USER MOD Single : A 43 GLN : amide:sc= -0.125 X(o=-0.13,f=-0.16) USER MOD Single : A 48 SER OG : rot 180:sc= -0.339 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.326 X(o=-0.33,f=-0.33) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN :FLIP amide:sc= -0.261 F(o=-1.4,f=-0.26) USER MOD Single : A 62 LYS NZ :NH3+ -166:sc= -0.0347 (180deg=-0.283) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -27:sc= 1.18 USER MOD Single : A 68 THR OG1 : rot -72:sc= -0.893 USER MOD Single : A 70 MET CE :methyl -169:sc= -0.0105 (180deg=-0.219) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.743 USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 CYS SG : rot 100:sc= -1.77 USER MOD Single : A 95 THR OG1 : rot -7:sc= 0.544! USER MOD Single : A 98 SER OG : rot 180:sc= -0.264 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.771 -0.756 -0.203 1.00 0.00 N ATOM 2 CA MET A 1 2.518 -0.793 -1.454 1.00 0.00 C ATOM 3 C MET A 1 1.742 -1.546 -2.530 1.00 0.00 C ATOM 4 O MET A 1 1.505 -2.749 -2.410 1.00 0.00 O ATOM 5 CB MET A 1 3.883 -1.450 -1.239 1.00 0.00 C ATOM 6 CG MET A 1 5.032 -0.689 -1.880 1.00 0.00 C ATOM 7 SD MET A 1 5.657 0.638 -0.831 1.00 0.00 S ATOM 8 CE MET A 1 5.669 2.006 -1.987 1.00 0.00 C ATOM 0 H1 MET A 1 2.387 -0.408 0.559 1.00 0.00 H new ATOM 0 H2 MET A 1 0.954 -0.121 -0.305 1.00 0.00 H new ATOM 0 H3 MET A 1 1.438 -1.713 0.031 1.00 0.00 H new ATOM 0 HA MET A 1 2.666 0.233 -1.790 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.069 -1.539 -0.169 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.858 -2.462 -1.644 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.843 -1.383 -2.103 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.700 -0.270 -2.830 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.679 2.410 -2.062 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.344 1.657 -2.967 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.992 2.785 -1.636 1.00 0.00 H new ATOM 18 N ASP A 2 1.348 -0.833 -3.579 1.00 0.00 N ATOM 19 CA ASP A 2 0.599 -1.435 -4.675 1.00 0.00 C ATOM 20 C ASP A 2 1.538 -2.127 -5.659 1.00 0.00 C ATOM 21 O ASP A 2 2.676 -1.702 -5.850 1.00 0.00 O ATOM 22 CB ASP A 2 -0.227 -0.372 -5.401 1.00 0.00 C ATOM 23 CG ASP A 2 -1.236 -0.976 -6.358 1.00 0.00 C ATOM 24 OD1 ASP A 2 -0.817 -1.482 -7.420 1.00 0.00 O ATOM 25 OD2 ASP A 2 -2.445 -0.942 -6.045 1.00 0.00 O ATOM 0 H ASP A 2 1.535 0.163 -3.693 1.00 0.00 H new ATOM 0 HA ASP A 2 -0.074 -2.183 -4.255 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -0.749 0.242 -4.667 1.00 0.00 H new ATOM 0 HB3 ASP A 2 0.441 0.289 -5.952 1.00 0.00 H new ATOM 30 N ASN A 3 1.051 -3.196 -6.280 1.00 0.00 N ATOM 31 CA ASN A 3 1.847 -3.949 -7.243 1.00 0.00 C ATOM 32 C ASN A 3 2.334 -3.044 -8.372 1.00 0.00 C ATOM 33 O ASN A 3 3.502 -3.089 -8.757 1.00 0.00 O ATOM 34 CB ASN A 3 1.029 -5.106 -7.819 1.00 0.00 C ATOM 35 CG ASN A 3 -0.306 -4.650 -8.375 1.00 0.00 C ATOM 36 OD1 ASN A 3 -1.203 -4.262 -7.625 1.00 0.00 O ATOM 37 ND2 ASN A 3 -0.445 -4.695 -9.695 1.00 0.00 N ATOM 0 H ASN A 3 0.110 -3.560 -6.134 1.00 0.00 H new ATOM 0 HA ASN A 3 2.716 -4.351 -6.723 1.00 0.00 H new ATOM 0 HB2 ASN A 3 1.601 -5.594 -8.609 1.00 0.00 H new ATOM 0 HB3 ASN A 3 0.860 -5.851 -7.041 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -1.322 -4.401 -10.126 1.00 0.00 H new ATOM 0 HD22 ASN A 3 0.325 -5.024 -10.278 1.00 0.00 H new ATOM 44 N ARG A 4 1.429 -2.224 -8.897 1.00 0.00 N ATOM 45 CA ARG A 4 1.766 -1.309 -9.981 1.00 0.00 C ATOM 46 C ARG A 4 2.863 -0.339 -9.554 1.00 0.00 C ATOM 47 O ARG A 4 3.822 -0.106 -10.290 1.00 0.00 O ATOM 48 CB ARG A 4 0.525 -0.531 -10.423 1.00 0.00 C ATOM 49 CG ARG A 4 0.287 -0.566 -11.924 1.00 0.00 C ATOM 50 CD ARG A 4 -0.494 0.651 -12.393 1.00 0.00 C ATOM 51 NE ARG A 4 -1.795 0.754 -11.736 1.00 0.00 N ATOM 52 CZ ARG A 4 -2.861 0.054 -12.105 1.00 0.00 C ATOM 53 NH1 ARG A 4 -2.783 -0.795 -13.120 1.00 0.00 N ATOM 54 NH2 ARG A 4 -4.010 0.203 -11.458 1.00 0.00 N ATOM 0 H ARG A 4 0.458 -2.175 -8.589 1.00 0.00 H new ATOM 0 HA ARG A 4 2.135 -1.899 -10.820 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -0.349 -0.939 -9.915 1.00 0.00 H new ATOM 0 HB3 ARG A 4 0.624 0.506 -10.103 1.00 0.00 H new ATOM 0 HG2 ARG A 4 1.244 -0.608 -12.444 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -0.258 -1.473 -12.186 1.00 0.00 H new ATOM 0 HD2 ARG A 4 0.085 1.552 -12.193 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -0.636 0.596 -13.472 1.00 0.00 H new ATOM 0 HE ARG A 4 -1.889 1.399 -10.951 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -1.902 -0.912 -13.620 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -3.604 -1.331 -13.401 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -4.074 0.856 -10.677 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -4.829 -0.335 -11.742 1.00 0.00 H new ATOM 68 N VAL A 5 2.715 0.224 -8.359 1.00 0.00 N ATOM 69 CA VAL A 5 3.693 1.169 -7.832 1.00 0.00 C ATOM 70 C VAL A 5 5.025 0.482 -7.553 1.00 0.00 C ATOM 71 O VAL A 5 6.091 1.052 -7.789 1.00 0.00 O ATOM 72 CB VAL A 5 3.190 1.835 -6.538 1.00 0.00 C ATOM 73 CG1 VAL A 5 4.238 2.789 -5.986 1.00 0.00 C ATOM 74 CG2 VAL A 5 1.876 2.559 -6.787 1.00 0.00 C ATOM 0 H VAL A 5 1.927 0.042 -7.737 1.00 0.00 H new ATOM 0 HA VAL A 5 3.835 1.935 -8.594 1.00 0.00 H new ATOM 0 HB VAL A 5 3.014 1.057 -5.795 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.865 3.250 -5.072 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.153 2.238 -5.767 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.449 3.564 -6.723 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.536 3.024 -5.862 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.022 3.327 -7.546 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.127 1.846 -7.132 1.00 0.00 H new ATOM 84 N ARG A 6 4.958 -0.747 -7.051 1.00 0.00 N ATOM 85 CA ARG A 6 6.159 -1.512 -6.739 1.00 0.00 C ATOM 86 C ARG A 6 7.073 -1.610 -7.957 1.00 0.00 C ATOM 87 O ARG A 6 8.296 -1.611 -7.827 1.00 0.00 O ATOM 88 CB ARG A 6 5.785 -2.914 -6.254 1.00 0.00 C ATOM 89 CG ARG A 6 6.201 -3.194 -4.820 1.00 0.00 C ATOM 90 CD ARG A 6 4.997 -3.483 -3.937 1.00 0.00 C ATOM 91 NE ARG A 6 5.362 -4.247 -2.747 1.00 0.00 N ATOM 92 CZ ARG A 6 4.495 -4.959 -2.036 1.00 0.00 C ATOM 93 NH1 ARG A 6 3.219 -5.004 -2.393 1.00 0.00 N ATOM 94 NH2 ARG A 6 4.903 -5.627 -0.965 1.00 0.00 N ATOM 0 H ARG A 6 4.084 -1.234 -6.852 1.00 0.00 H new ATOM 0 HA ARG A 6 6.695 -0.992 -5.945 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.706 -3.044 -6.342 1.00 0.00 H new ATOM 0 HB3 ARG A 6 6.249 -3.651 -6.909 1.00 0.00 H new ATOM 0 HG2 ARG A 6 6.883 -4.044 -4.797 1.00 0.00 H new ATOM 0 HG3 ARG A 6 6.747 -2.337 -4.424 1.00 0.00 H new ATOM 0 HD2 ARG A 6 4.534 -2.543 -3.636 1.00 0.00 H new ATOM 0 HD3 ARG A 6 4.252 -4.037 -4.509 1.00 0.00 H new ATOM 0 HE ARG A 6 6.336 -4.233 -2.445 1.00 0.00 H new ATOM 0 HH11 ARG A 6 2.901 -4.491 -3.215 1.00 0.00 H new ATOM 0 HH12 ARG A 6 2.555 -5.552 -1.845 1.00 0.00 H new ATOM 0 HH21 ARG A 6 5.884 -5.594 -0.687 1.00 0.00 H new ATOM 0 HH22 ARG A 6 4.236 -6.173 -0.420 1.00 0.00 H new ATOM 108 N GLU A 7 6.469 -1.692 -9.138 1.00 0.00 N ATOM 109 CA GLU A 7 7.229 -1.791 -10.378 1.00 0.00 C ATOM 110 C GLU A 7 7.894 -0.460 -10.718 1.00 0.00 C ATOM 111 O GLU A 7 8.984 -0.426 -11.287 1.00 0.00 O ATOM 112 CB GLU A 7 6.318 -2.226 -11.528 1.00 0.00 C ATOM 113 CG GLU A 7 6.255 -3.733 -11.718 1.00 0.00 C ATOM 114 CD GLU A 7 7.617 -4.344 -11.985 1.00 0.00 C ATOM 115 OE1 GLU A 7 8.320 -3.852 -12.893 1.00 0.00 O ATOM 116 OE2 GLU A 7 7.980 -5.314 -11.287 1.00 0.00 O ATOM 0 H GLU A 7 5.457 -1.692 -9.262 1.00 0.00 H new ATOM 0 HA GLU A 7 8.008 -2.541 -10.237 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.312 -1.849 -11.346 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.668 -1.766 -12.452 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.824 -4.190 -10.827 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.588 -3.963 -12.549 1.00 0.00 H new ATOM 123 N ALA A 8 7.228 0.634 -10.363 1.00 0.00 N ATOM 124 CA ALA A 8 7.753 1.968 -10.628 1.00 0.00 C ATOM 125 C ALA A 8 8.946 2.276 -9.729 1.00 0.00 C ATOM 126 O ALA A 8 9.981 2.753 -10.197 1.00 0.00 O ATOM 127 CB ALA A 8 6.663 3.012 -10.439 1.00 0.00 C ATOM 0 H ALA A 8 6.324 0.623 -9.891 1.00 0.00 H new ATOM 0 HA ALA A 8 8.093 1.999 -11.663 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.070 4.003 -10.640 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.842 2.810 -11.127 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.295 2.972 -9.414 1.00 0.00 H new ATOM 133 N CYS A 9 8.794 2.003 -8.438 1.00 0.00 N ATOM 134 CA CYS A 9 9.858 2.254 -7.473 1.00 0.00 C ATOM 135 C CYS A 9 11.058 1.351 -7.741 1.00 0.00 C ATOM 136 O CYS A 9 12.201 1.733 -7.490 1.00 0.00 O ATOM 137 CB CYS A 9 9.346 2.032 -6.049 1.00 0.00 C ATOM 138 SG CYS A 9 9.130 0.293 -5.604 1.00 0.00 S ATOM 0 H CYS A 9 7.944 1.608 -8.035 1.00 0.00 H new ATOM 0 HA CYS A 9 10.175 3.291 -7.580 1.00 0.00 H new ATOM 0 HB2 CYS A 9 10.043 2.491 -5.348 1.00 0.00 H new ATOM 0 HB3 CYS A 9 8.392 2.547 -5.933 1.00 0.00 H new ATOM 0 HG CYS A 9 8.920 -0.407 -6.679 1.00 0.00 H new ATOM 144 N GLN A 10 10.789 0.154 -8.251 1.00 0.00 N ATOM 145 CA GLN A 10 11.848 -0.803 -8.551 1.00 0.00 C ATOM 146 C GLN A 10 12.775 -0.268 -9.637 1.00 0.00 C ATOM 147 O GLN A 10 13.995 -0.411 -9.552 1.00 0.00 O ATOM 148 CB GLN A 10 11.246 -2.139 -8.991 1.00 0.00 C ATOM 149 CG GLN A 10 12.272 -3.253 -9.128 1.00 0.00 C ATOM 150 CD GLN A 10 13.136 -3.405 -7.891 1.00 0.00 C ATOM 151 OE1 GLN A 10 14.323 -3.079 -7.905 1.00 0.00 O ATOM 152 NE2 GLN A 10 12.544 -3.904 -6.812 1.00 0.00 N ATOM 0 H GLN A 10 9.848 -0.176 -8.465 1.00 0.00 H new ATOM 0 HA GLN A 10 12.432 -0.956 -7.644 1.00 0.00 H new ATOM 0 HB2 GLN A 10 10.488 -2.442 -8.269 1.00 0.00 H new ATOM 0 HB3 GLN A 10 10.740 -2.003 -9.947 1.00 0.00 H new ATOM 0 HG2 GLN A 10 11.758 -4.194 -9.325 1.00 0.00 H new ATOM 0 HG3 GLN A 10 12.909 -3.051 -9.989 1.00 0.00 H new ATOM 0 HE21 GLN A 10 11.557 -4.161 -6.844 1.00 0.00 H new ATOM 0 HE22 GLN A 10 13.076 -4.030 -5.951 1.00 0.00 H new ATOM 161 N TYR A 11 12.189 0.350 -10.656 1.00 0.00 N ATOM 162 CA TYR A 11 12.962 0.905 -11.760 1.00 0.00 C ATOM 163 C TYR A 11 13.763 2.122 -11.307 1.00 0.00 C ATOM 164 O TYR A 11 14.939 2.266 -11.644 1.00 0.00 O ATOM 165 CB TYR A 11 12.037 1.291 -12.916 1.00 0.00 C ATOM 166 CG TYR A 11 12.688 2.198 -13.936 1.00 0.00 C ATOM 167 CD1 TYR A 11 13.820 1.792 -14.633 1.00 0.00 C ATOM 168 CD2 TYR A 11 12.170 3.459 -14.204 1.00 0.00 C ATOM 169 CE1 TYR A 11 14.418 2.618 -15.565 1.00 0.00 C ATOM 170 CE2 TYR A 11 12.761 4.290 -15.136 1.00 0.00 C ATOM 171 CZ TYR A 11 13.885 3.865 -15.813 1.00 0.00 C ATOM 172 OH TYR A 11 14.477 4.690 -16.742 1.00 0.00 O ATOM 0 H TYR A 11 11.181 0.479 -10.740 1.00 0.00 H new ATOM 0 HA TYR A 11 13.659 0.140 -12.102 1.00 0.00 H new ATOM 0 HB2 TYR A 11 11.695 0.384 -13.415 1.00 0.00 H new ATOM 0 HB3 TYR A 11 11.153 1.786 -12.513 1.00 0.00 H new ATOM 0 HD1 TYR A 11 14.239 0.815 -14.443 1.00 0.00 H new ATOM 0 HD2 TYR A 11 11.291 3.795 -13.675 1.00 0.00 H new ATOM 0 HE1 TYR A 11 15.299 2.289 -16.097 1.00 0.00 H new ATOM 0 HE2 TYR A 11 12.345 5.267 -15.333 1.00 0.00 H new ATOM 0 HH TYR A 11 13.978 5.531 -16.798 1.00 0.00 H new ATOM 182 N ILE A 12 13.118 2.994 -10.540 1.00 0.00 N ATOM 183 CA ILE A 12 13.769 4.198 -10.038 1.00 0.00 C ATOM 184 C ILE A 12 14.944 3.849 -9.130 1.00 0.00 C ATOM 185 O ILE A 12 15.981 4.511 -9.158 1.00 0.00 O ATOM 186 CB ILE A 12 12.782 5.090 -9.263 1.00 0.00 C ATOM 187 CG1 ILE A 12 11.610 5.491 -10.160 1.00 0.00 C ATOM 188 CG2 ILE A 12 13.493 6.325 -8.728 1.00 0.00 C ATOM 189 CD1 ILE A 12 10.392 5.955 -9.392 1.00 0.00 C ATOM 0 H ILE A 12 12.145 2.889 -10.252 1.00 0.00 H new ATOM 0 HA ILE A 12 14.134 4.745 -10.907 1.00 0.00 H new ATOM 0 HB ILE A 12 12.391 4.524 -8.418 1.00 0.00 H new ATOM 0 HG12 ILE A 12 11.932 6.288 -10.830 1.00 0.00 H new ATOM 0 HG13 ILE A 12 11.334 4.641 -10.785 1.00 0.00 H new ATOM 0 HG21 ILE A 12 12.783 6.946 -8.182 1.00 0.00 H new ATOM 0 HG22 ILE A 12 14.297 6.020 -8.059 1.00 0.00 H new ATOM 0 HG23 ILE A 12 13.909 6.894 -9.559 1.00 0.00 H new ATOM 0 HD11 ILE A 12 9.601 6.223 -10.092 1.00 0.00 H new ATOM 0 HD12 ILE A 12 10.044 5.152 -8.742 1.00 0.00 H new ATOM 0 HD13 ILE A 12 10.652 6.824 -8.788 1.00 0.00 H new ATOM 201 N SER A 13 14.773 2.804 -8.326 1.00 0.00 N ATOM 202 CA SER A 13 15.818 2.368 -7.407 1.00 0.00 C ATOM 203 C SER A 13 17.064 1.929 -8.170 1.00 0.00 C ATOM 204 O SER A 13 18.186 2.279 -7.803 1.00 0.00 O ATOM 205 CB SER A 13 15.311 1.220 -6.532 1.00 0.00 C ATOM 206 OG SER A 13 16.389 0.485 -5.980 1.00 0.00 O ATOM 0 H SER A 13 13.921 2.244 -8.293 1.00 0.00 H new ATOM 0 HA SER A 13 16.082 3.212 -6.770 1.00 0.00 H new ATOM 0 HB2 SER A 13 14.689 1.617 -5.730 1.00 0.00 H new ATOM 0 HB3 SER A 13 14.681 0.557 -7.125 1.00 0.00 H new ATOM 0 HG SER A 13 16.039 -0.242 -5.424 1.00 0.00 H new ATOM 212 N ASP A 14 16.858 1.161 -9.234 1.00 0.00 N ATOM 213 CA ASP A 14 17.963 0.674 -10.051 1.00 0.00 C ATOM 214 C ASP A 14 18.752 1.836 -10.646 1.00 0.00 C ATOM 215 O ASP A 14 19.978 1.780 -10.747 1.00 0.00 O ATOM 216 CB ASP A 14 17.440 -0.228 -11.170 1.00 0.00 C ATOM 217 CG ASP A 14 18.492 -1.197 -11.672 1.00 0.00 C ATOM 218 OD1 ASP A 14 19.452 -0.742 -12.328 1.00 0.00 O ATOM 219 OD2 ASP A 14 18.355 -2.411 -11.411 1.00 0.00 O ATOM 0 H ASP A 14 15.936 0.862 -9.551 1.00 0.00 H new ATOM 0 HA ASP A 14 18.628 0.096 -9.410 1.00 0.00 H new ATOM 0 HB2 ASP A 14 16.578 -0.788 -10.808 1.00 0.00 H new ATOM 0 HB3 ASP A 14 17.094 0.390 -11.999 1.00 0.00 H new ATOM 224 N HIS A 15 18.041 2.888 -11.038 1.00 0.00 N ATOM 225 CA HIS A 15 18.676 4.064 -11.624 1.00 0.00 C ATOM 226 C HIS A 15 18.893 5.146 -10.570 1.00 0.00 C ATOM 227 O HIS A 15 19.103 6.314 -10.898 1.00 0.00 O ATOM 228 CB HIS A 15 17.822 4.614 -12.767 1.00 0.00 C ATOM 229 CG HIS A 15 17.903 3.798 -14.021 1.00 0.00 C ATOM 230 ND1 HIS A 15 18.454 4.271 -15.193 1.00 0.00 N ATOM 231 CD2 HIS A 15 17.500 2.532 -14.280 1.00 0.00 C ATOM 232 CE1 HIS A 15 18.384 3.333 -16.120 1.00 0.00 C ATOM 233 NE2 HIS A 15 17.810 2.267 -15.591 1.00 0.00 N ATOM 0 H HIS A 15 17.026 2.951 -10.961 1.00 0.00 H new ATOM 0 HA HIS A 15 19.647 3.764 -12.017 1.00 0.00 H new ATOM 0 HB2 HIS A 15 16.783 4.664 -12.442 1.00 0.00 H new ATOM 0 HB3 HIS A 15 18.136 5.634 -12.986 1.00 0.00 H new ATOM 0 HD2 HIS A 15 17.024 1.856 -13.585 1.00 0.00 H new ATOM 0 HE1 HIS A 15 18.736 3.422 -17.137 1.00 0.00 H new ATOM 0 HE2 HIS A 15 17.627 1.389 -16.078 1.00 0.00 H new ATOM 241 N LEU A 16 18.840 4.749 -9.303 1.00 0.00 N ATOM 242 CA LEU A 16 19.031 5.685 -8.200 1.00 0.00 C ATOM 243 C LEU A 16 20.372 6.402 -8.320 1.00 0.00 C ATOM 244 O LEU A 16 20.536 7.517 -7.826 1.00 0.00 O ATOM 245 CB LEU A 16 18.951 4.949 -6.861 1.00 0.00 C ATOM 246 CG LEU A 16 18.980 5.827 -5.610 1.00 0.00 C ATOM 247 CD1 LEU A 16 17.696 6.634 -5.494 1.00 0.00 C ATOM 248 CD2 LEU A 16 19.192 4.976 -4.366 1.00 0.00 C ATOM 0 H LEU A 16 18.667 3.786 -9.014 1.00 0.00 H new ATOM 0 HA LEU A 16 18.237 6.430 -8.246 1.00 0.00 H new ATOM 0 HB2 LEU A 16 18.033 4.361 -6.847 1.00 0.00 H new ATOM 0 HB3 LEU A 16 19.781 4.245 -6.806 1.00 0.00 H new ATOM 0 HG LEU A 16 19.815 6.522 -5.697 1.00 0.00 H new ATOM 0 HD11 LEU A 16 17.735 7.253 -4.598 1.00 0.00 H new ATOM 0 HD12 LEU A 16 17.587 7.272 -6.371 1.00 0.00 H new ATOM 0 HD13 LEU A 16 16.845 5.956 -5.430 1.00 0.00 H new ATOM 0 HD21 LEU A 16 19.210 5.618 -3.485 1.00 0.00 H new ATOM 0 HD22 LEU A 16 18.378 4.256 -4.274 1.00 0.00 H new ATOM 0 HD23 LEU A 16 20.140 4.444 -4.447 1.00 0.00 H new ATOM 260 N ALA A 17 21.326 5.755 -8.980 1.00 0.00 N ATOM 261 CA ALA A 17 22.651 6.333 -9.169 1.00 0.00 C ATOM 262 C ALA A 17 22.676 7.267 -10.373 1.00 0.00 C ATOM 263 O ALA A 17 23.548 8.130 -10.484 1.00 0.00 O ATOM 264 CB ALA A 17 23.689 5.232 -9.330 1.00 0.00 C ATOM 0 H ALA A 17 21.206 4.830 -9.393 1.00 0.00 H new ATOM 0 HA ALA A 17 22.894 6.919 -8.283 1.00 0.00 H new ATOM 0 HB1 ALA A 17 24.674 5.678 -9.470 1.00 0.00 H new ATOM 0 HB2 ALA A 17 23.698 4.607 -8.437 1.00 0.00 H new ATOM 0 HB3 ALA A 17 23.440 4.621 -10.198 1.00 0.00 H new ATOM 270 N ASP A 18 21.716 7.090 -11.274 1.00 0.00 N ATOM 271 CA ASP A 18 21.628 7.918 -12.471 1.00 0.00 C ATOM 272 C ASP A 18 21.335 9.370 -12.107 1.00 0.00 C ATOM 273 O ASP A 18 20.742 9.652 -11.066 1.00 0.00 O ATOM 274 CB ASP A 18 20.542 7.385 -13.407 1.00 0.00 C ATOM 275 CG ASP A 18 20.794 7.754 -14.856 1.00 0.00 C ATOM 276 OD1 ASP A 18 20.638 8.944 -15.200 1.00 0.00 O ATOM 277 OD2 ASP A 18 21.147 6.853 -15.645 1.00 0.00 O ATOM 0 H ASP A 18 20.987 6.380 -11.198 1.00 0.00 H new ATOM 0 HA ASP A 18 22.590 7.877 -12.982 1.00 0.00 H new ATOM 0 HB2 ASP A 18 20.488 6.300 -13.316 1.00 0.00 H new ATOM 0 HB3 ASP A 18 19.574 7.780 -13.098 1.00 0.00 H new ATOM 282 N SER A 19 21.756 10.288 -12.971 1.00 0.00 N ATOM 283 CA SER A 19 21.544 11.712 -12.738 1.00 0.00 C ATOM 284 C SER A 19 20.271 12.191 -13.429 1.00 0.00 C ATOM 285 O SER A 19 19.420 12.830 -12.812 1.00 0.00 O ATOM 286 CB SER A 19 22.744 12.517 -13.240 1.00 0.00 C ATOM 287 OG SER A 19 23.944 12.080 -12.626 1.00 0.00 O ATOM 0 H SER A 19 22.246 10.071 -13.839 1.00 0.00 H new ATOM 0 HA SER A 19 21.435 11.867 -11.665 1.00 0.00 H new ATOM 0 HB2 SER A 19 22.827 12.415 -14.322 1.00 0.00 H new ATOM 0 HB3 SER A 19 22.589 13.575 -13.031 1.00 0.00 H new ATOM 0 HG SER A 19 24.696 12.609 -12.965 1.00 0.00 H new ATOM 293 N ASN A 20 20.149 11.878 -14.715 1.00 0.00 N ATOM 294 CA ASN A 20 18.981 12.277 -15.492 1.00 0.00 C ATOM 295 C ASN A 20 17.816 11.322 -15.251 1.00 0.00 C ATOM 296 O ASN A 20 17.830 10.180 -15.712 1.00 0.00 O ATOM 297 CB ASN A 20 19.323 12.317 -16.983 1.00 0.00 C ATOM 298 CG ASN A 20 20.619 13.054 -17.259 1.00 0.00 C ATOM 299 OD1 ASN A 20 21.597 12.463 -17.716 1.00 0.00 O ATOM 300 ND2 ASN A 20 20.631 14.353 -16.981 1.00 0.00 N ATOM 0 H ASN A 20 20.845 11.349 -15.241 1.00 0.00 H new ATOM 0 HA ASN A 20 18.683 13.274 -15.168 1.00 0.00 H new ATOM 0 HB2 ASN A 20 19.400 11.298 -17.363 1.00 0.00 H new ATOM 0 HB3 ASN A 20 18.511 12.800 -17.527 1.00 0.00 H new ATOM 0 HD21 ASN A 20 21.475 14.902 -17.145 1.00 0.00 H new ATOM 0 HD22 ASN A 20 19.796 14.801 -16.603 1.00 0.00 H new ATOM 307 N PHE A 21 16.808 11.797 -14.527 1.00 0.00 N ATOM 308 CA PHE A 21 15.635 10.985 -14.225 1.00 0.00 C ATOM 309 C PHE A 21 14.407 11.507 -14.966 1.00 0.00 C ATOM 310 O PHE A 21 14.128 12.706 -14.960 1.00 0.00 O ATOM 311 CB PHE A 21 15.369 10.977 -12.718 1.00 0.00 C ATOM 312 CG PHE A 21 14.136 10.211 -12.331 1.00 0.00 C ATOM 313 CD1 PHE A 21 13.913 8.936 -12.825 1.00 0.00 C ATOM 314 CD2 PHE A 21 13.200 10.767 -11.474 1.00 0.00 C ATOM 315 CE1 PHE A 21 12.779 8.229 -12.471 1.00 0.00 C ATOM 316 CE2 PHE A 21 12.065 10.064 -11.116 1.00 0.00 C ATOM 317 CZ PHE A 21 11.853 8.794 -11.616 1.00 0.00 C ATOM 0 H PHE A 21 16.780 12.740 -14.139 1.00 0.00 H new ATOM 0 HA PHE A 21 15.833 9.966 -14.558 1.00 0.00 H new ATOM 0 HB2 PHE A 21 16.230 10.546 -12.207 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.273 12.005 -12.369 1.00 0.00 H new ATOM 0 HD1 PHE A 21 14.633 8.489 -13.494 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.359 11.760 -11.081 1.00 0.00 H new ATOM 0 HE1 PHE A 21 12.617 7.236 -12.863 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.344 10.508 -10.445 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.966 8.244 -11.339 1.00 0.00 H new ATOM 327 N ASP A 22 13.679 10.597 -15.604 1.00 0.00 N ATOM 328 CA ASP A 22 12.481 10.964 -16.350 1.00 0.00 C ATOM 329 C ASP A 22 11.239 10.329 -15.731 1.00 0.00 C ATOM 330 O ASP A 22 10.994 9.134 -15.896 1.00 0.00 O ATOM 331 CB ASP A 22 12.613 10.534 -17.812 1.00 0.00 C ATOM 332 CG ASP A 22 11.662 11.284 -18.724 1.00 0.00 C ATOM 333 OD1 ASP A 22 11.250 12.405 -18.360 1.00 0.00 O ATOM 334 OD2 ASP A 22 11.331 10.750 -19.803 1.00 0.00 O ATOM 0 H ASP A 22 13.897 9.601 -15.620 1.00 0.00 H new ATOM 0 HA ASP A 22 12.374 12.048 -16.306 1.00 0.00 H new ATOM 0 HB2 ASP A 22 13.638 10.699 -18.145 1.00 0.00 H new ATOM 0 HB3 ASP A 22 12.421 9.464 -17.892 1.00 0.00 H new ATOM 339 N ILE A 23 10.462 11.137 -15.018 1.00 0.00 N ATOM 340 CA ILE A 23 9.246 10.654 -14.374 1.00 0.00 C ATOM 341 C ILE A 23 8.297 10.028 -15.391 1.00 0.00 C ATOM 342 O ILE A 23 7.538 9.116 -15.066 1.00 0.00 O ATOM 343 CB ILE A 23 8.512 11.787 -13.634 1.00 0.00 C ATOM 344 CG1 ILE A 23 7.383 11.217 -12.774 1.00 0.00 C ATOM 345 CG2 ILE A 23 7.967 12.803 -14.628 1.00 0.00 C ATOM 346 CD1 ILE A 23 7.868 10.545 -11.508 1.00 0.00 C ATOM 0 H ILE A 23 10.652 12.128 -14.871 1.00 0.00 H new ATOM 0 HA ILE A 23 9.551 9.898 -13.651 1.00 0.00 H new ATOM 0 HB ILE A 23 9.222 12.293 -12.979 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.697 12.022 -12.509 1.00 0.00 H new ATOM 0 HG13 ILE A 23 6.816 10.497 -13.364 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.451 13.598 -14.090 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.790 13.229 -15.202 1.00 0.00 H new ATOM 0 HG23 ILE A 23 7.269 12.311 -15.305 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.014 10.165 -10.948 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.530 9.719 -11.766 1.00 0.00 H new ATOM 0 HD13 ILE A 23 8.410 11.267 -10.897 1.00 0.00 H new ATOM 358 N ALA A 24 8.348 10.523 -16.623 1.00 0.00 N ATOM 359 CA ALA A 24 7.496 10.010 -17.689 1.00 0.00 C ATOM 360 C ALA A 24 7.778 8.535 -17.955 1.00 0.00 C ATOM 361 O ALA A 24 6.857 7.742 -18.147 1.00 0.00 O ATOM 362 CB ALA A 24 7.692 10.824 -18.959 1.00 0.00 C ATOM 0 H ALA A 24 8.971 11.279 -16.908 1.00 0.00 H new ATOM 0 HA ALA A 24 6.459 10.103 -17.368 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.050 10.430 -19.747 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.434 11.865 -18.767 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.733 10.761 -19.275 1.00 0.00 H new ATOM 368 N SER A 25 9.058 8.175 -17.965 1.00 0.00 N ATOM 369 CA SER A 25 9.461 6.795 -18.213 1.00 0.00 C ATOM 370 C SER A 25 8.931 5.870 -17.121 1.00 0.00 C ATOM 371 O SER A 25 8.576 4.721 -17.383 1.00 0.00 O ATOM 372 CB SER A 25 10.985 6.693 -18.288 1.00 0.00 C ATOM 373 OG SER A 25 11.487 7.375 -19.424 1.00 0.00 O ATOM 0 H SER A 25 9.833 8.819 -17.804 1.00 0.00 H new ATOM 0 HA SER A 25 9.036 6.484 -19.167 1.00 0.00 H new ATOM 0 HB2 SER A 25 11.426 7.113 -17.384 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.281 5.645 -18.329 1.00 0.00 H new ATOM 0 HG SER A 25 12.464 7.296 -19.448 1.00 0.00 H new ATOM 379 N VAL A 26 8.880 6.381 -15.895 1.00 0.00 N ATOM 380 CA VAL A 26 8.392 5.602 -14.762 1.00 0.00 C ATOM 381 C VAL A 26 6.903 5.308 -14.898 1.00 0.00 C ATOM 382 O VAL A 26 6.458 4.185 -14.663 1.00 0.00 O ATOM 383 CB VAL A 26 8.640 6.334 -13.430 1.00 0.00 C ATOM 384 CG1 VAL A 26 8.081 5.530 -12.267 1.00 0.00 C ATOM 385 CG2 VAL A 26 10.125 6.603 -13.239 1.00 0.00 C ATOM 0 H VAL A 26 9.170 7.330 -15.661 1.00 0.00 H new ATOM 0 HA VAL A 26 8.946 4.663 -14.761 1.00 0.00 H new ATOM 0 HB VAL A 26 8.122 7.292 -13.460 1.00 0.00 H new ATOM 0 HG11 VAL A 26 8.266 6.063 -11.334 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.008 5.394 -12.401 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.568 4.556 -12.231 1.00 0.00 H new ATOM 0 HG21 VAL A 26 10.282 7.121 -12.293 1.00 0.00 H new ATOM 0 HG22 VAL A 26 10.668 5.658 -13.230 1.00 0.00 H new ATOM 0 HG23 VAL A 26 10.491 7.223 -14.057 1.00 0.00 H new ATOM 395 N ALA A 27 6.137 6.325 -15.280 1.00 0.00 N ATOM 396 CA ALA A 27 4.697 6.174 -15.450 1.00 0.00 C ATOM 397 C ALA A 27 4.376 5.249 -16.619 1.00 0.00 C ATOM 398 O ALA A 27 3.503 4.388 -16.518 1.00 0.00 O ATOM 399 CB ALA A 27 4.045 7.534 -15.656 1.00 0.00 C ATOM 0 H ALA A 27 6.489 7.262 -15.477 1.00 0.00 H new ATOM 0 HA ALA A 27 4.294 5.723 -14.543 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.970 7.407 -15.782 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.237 8.165 -14.788 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.461 8.006 -16.546 1.00 0.00 H new ATOM 405 N GLN A 28 5.086 5.435 -17.727 1.00 0.00 N ATOM 406 CA GLN A 28 4.875 4.617 -18.916 1.00 0.00 C ATOM 407 C GLN A 28 5.179 3.150 -18.628 1.00 0.00 C ATOM 408 O GLN A 28 4.501 2.254 -19.133 1.00 0.00 O ATOM 409 CB GLN A 28 5.751 5.115 -20.066 1.00 0.00 C ATOM 410 CG GLN A 28 5.744 4.197 -21.278 1.00 0.00 C ATOM 411 CD GLN A 28 6.351 4.847 -22.506 1.00 0.00 C ATOM 412 OE1 GLN A 28 7.542 4.693 -22.780 1.00 0.00 O ATOM 413 NE2 GLN A 28 5.534 5.580 -23.253 1.00 0.00 N ATOM 0 H GLN A 28 5.812 6.144 -17.826 1.00 0.00 H new ATOM 0 HA GLN A 28 3.827 4.703 -19.204 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.410 6.105 -20.369 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.775 5.225 -19.710 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.296 3.287 -21.043 1.00 0.00 H new ATOM 0 HG3 GLN A 28 4.719 3.900 -21.498 1.00 0.00 H new ATOM 0 HE21 GLN A 28 4.554 5.681 -22.989 1.00 0.00 H new ATOM 0 HE22 GLN A 28 5.886 6.042 -24.091 1.00 0.00 H new ATOM 422 N HIS A 29 6.202 2.911 -17.814 1.00 0.00 N ATOM 423 CA HIS A 29 6.596 1.553 -17.459 1.00 0.00 C ATOM 424 C HIS A 29 5.437 0.804 -16.808 1.00 0.00 C ATOM 425 O HIS A 29 5.282 -0.403 -16.994 1.00 0.00 O ATOM 426 CB HIS A 29 7.798 1.578 -16.514 1.00 0.00 C ATOM 427 CG HIS A 29 8.100 0.248 -15.894 1.00 0.00 C ATOM 428 ND1 HIS A 29 7.987 -0.944 -16.577 1.00 0.00 N ATOM 429 CD2 HIS A 29 8.515 -0.072 -14.646 1.00 0.00 C ATOM 430 CE1 HIS A 29 8.317 -1.941 -15.775 1.00 0.00 C ATOM 431 NE2 HIS A 29 8.642 -1.439 -14.598 1.00 0.00 N ATOM 0 H HIS A 29 6.773 3.641 -17.388 1.00 0.00 H new ATOM 0 HA HIS A 29 6.875 1.031 -18.374 1.00 0.00 H new ATOM 0 HB2 HIS A 29 8.675 1.921 -17.063 1.00 0.00 H new ATOM 0 HB3 HIS A 29 7.613 2.305 -15.723 1.00 0.00 H new ATOM 0 HD2 HIS A 29 8.710 0.618 -13.839 1.00 0.00 H new ATOM 0 HE1 HIS A 29 8.320 -2.989 -16.038 1.00 0.00 H new ATOM 0 HE2 HIS A 29 8.939 -1.979 -13.785 1.00 0.00 H new ATOM 439 N VAL A 30 4.627 1.528 -16.042 1.00 0.00 N ATOM 440 CA VAL A 30 3.482 0.933 -15.363 1.00 0.00 C ATOM 441 C VAL A 30 2.200 1.143 -16.161 1.00 0.00 C ATOM 442 O VAL A 30 1.097 1.000 -15.631 1.00 0.00 O ATOM 443 CB VAL A 30 3.298 1.521 -13.952 1.00 0.00 C ATOM 444 CG1 VAL A 30 4.537 1.273 -13.104 1.00 0.00 C ATOM 445 CG2 VAL A 30 2.986 3.008 -14.032 1.00 0.00 C ATOM 0 H VAL A 30 4.743 2.528 -15.876 1.00 0.00 H new ATOM 0 HA VAL A 30 3.684 -0.135 -15.279 1.00 0.00 H new ATOM 0 HB VAL A 30 2.455 1.021 -13.476 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.388 1.696 -12.110 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.712 0.200 -13.020 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.400 1.745 -13.574 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.859 3.408 -13.026 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.807 3.526 -14.527 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.068 3.157 -14.600 1.00 0.00 H new ATOM 455 N CYS A 31 2.352 1.482 -17.436 1.00 0.00 N ATOM 456 CA CYS A 31 1.206 1.713 -18.308 1.00 0.00 C ATOM 457 C CYS A 31 0.229 2.697 -17.673 1.00 0.00 C ATOM 458 O CYS A 31 -0.988 2.537 -17.778 1.00 0.00 O ATOM 459 CB CYS A 31 0.495 0.393 -18.609 1.00 0.00 C ATOM 460 SG CYS A 31 -0.482 0.411 -20.131 1.00 0.00 S ATOM 0 H CYS A 31 3.258 1.603 -17.889 1.00 0.00 H new ATOM 0 HA CYS A 31 1.571 2.143 -19.241 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.239 -0.401 -18.677 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -0.159 0.146 -17.773 1.00 0.00 H new ATOM 0 HG CYS A 31 -1.043 -0.749 -20.300 1.00 0.00 H new ATOM 466 N LEU A 32 0.769 3.715 -17.011 1.00 0.00 N ATOM 467 CA LEU A 32 -0.055 4.726 -16.357 1.00 0.00 C ATOM 468 C LEU A 32 0.552 6.115 -16.524 1.00 0.00 C ATOM 469 O LEU A 32 1.724 6.253 -16.874 1.00 0.00 O ATOM 470 CB LEU A 32 -0.211 4.400 -14.870 1.00 0.00 C ATOM 471 CG LEU A 32 -1.623 4.528 -14.300 1.00 0.00 C ATOM 472 CD1 LEU A 32 -1.917 3.385 -13.340 1.00 0.00 C ATOM 473 CD2 LEU A 32 -1.798 5.870 -13.603 1.00 0.00 C ATOM 0 H LEU A 32 1.774 3.862 -16.913 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.037 4.720 -16.829 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.135 3.380 -14.704 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.449 5.057 -14.303 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.333 4.474 -15.125 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.927 3.493 -12.944 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.834 2.435 -13.869 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.201 3.407 -12.518 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.809 5.943 -13.203 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.079 5.953 -12.788 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.631 6.676 -14.318 1.00 0.00 H new ATOM 485 N SER A 33 -0.253 7.141 -16.271 1.00 0.00 N ATOM 486 CA SER A 33 0.204 8.521 -16.395 1.00 0.00 C ATOM 487 C SER A 33 0.926 8.969 -15.128 1.00 0.00 C ATOM 488 O SER A 33 0.774 8.385 -14.055 1.00 0.00 O ATOM 489 CB SER A 33 -0.979 9.449 -16.677 1.00 0.00 C ATOM 490 OG SER A 33 -2.109 8.716 -17.117 1.00 0.00 O ATOM 0 H SER A 33 -1.225 7.044 -15.979 1.00 0.00 H new ATOM 0 HA SER A 33 0.904 8.573 -17.229 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.232 10.006 -15.775 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.699 10.181 -17.435 1.00 0.00 H new ATOM 0 HG SER A 33 -2.852 9.332 -17.289 1.00 0.00 H new ATOM 496 N PRO A 34 1.734 10.033 -15.254 1.00 0.00 N ATOM 497 CA PRO A 34 2.497 10.585 -14.131 1.00 0.00 C ATOM 498 C PRO A 34 1.601 11.264 -13.100 1.00 0.00 C ATOM 499 O PRO A 34 1.859 11.194 -11.898 1.00 0.00 O ATOM 500 CB PRO A 34 3.418 11.610 -14.797 1.00 0.00 C ATOM 501 CG PRO A 34 2.706 12.004 -16.045 1.00 0.00 C ATOM 502 CD PRO A 34 1.964 10.779 -16.503 1.00 0.00 C ATOM 0 HA PRO A 34 3.029 9.810 -13.579 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.587 12.470 -14.149 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.395 11.180 -15.017 1.00 0.00 H new ATOM 0 HG2 PRO A 34 2.019 12.829 -15.858 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.410 12.341 -16.806 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.026 11.038 -16.995 1.00 0.00 H new ATOM 0 HD3 PRO A 34 2.549 10.198 -17.216 1.00 0.00 H new ATOM 510 N SER A 35 0.549 11.920 -13.578 1.00 0.00 N ATOM 511 CA SER A 35 -0.383 12.615 -12.697 1.00 0.00 C ATOM 512 C SER A 35 -1.157 11.622 -11.834 1.00 0.00 C ATOM 513 O SER A 35 -1.287 11.806 -10.624 1.00 0.00 O ATOM 514 CB SER A 35 -1.358 13.462 -13.518 1.00 0.00 C ATOM 515 OG SER A 35 -2.005 14.426 -12.705 1.00 0.00 O ATOM 0 H SER A 35 0.320 11.985 -14.570 1.00 0.00 H new ATOM 0 HA SER A 35 0.193 13.269 -12.042 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.821 13.963 -14.324 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.102 12.816 -13.984 1.00 0.00 H new ATOM 0 HG SER A 35 -2.621 14.955 -13.253 1.00 0.00 H new ATOM 521 N ARG A 36 -1.669 10.571 -12.466 1.00 0.00 N ATOM 522 CA ARG A 36 -2.431 9.550 -11.758 1.00 0.00 C ATOM 523 C ARG A 36 -1.514 8.688 -10.895 1.00 0.00 C ATOM 524 O ARG A 36 -1.823 8.400 -9.738 1.00 0.00 O ATOM 525 CB ARG A 36 -3.191 8.669 -12.751 1.00 0.00 C ATOM 526 CG ARG A 36 -4.454 9.316 -13.297 1.00 0.00 C ATOM 527 CD ARG A 36 -5.676 8.446 -13.049 1.00 0.00 C ATOM 528 NE ARG A 36 -6.640 8.532 -14.143 1.00 0.00 N ATOM 529 CZ ARG A 36 -7.387 9.605 -14.380 1.00 0.00 C ATOM 530 NH1 ARG A 36 -7.282 10.675 -13.606 1.00 0.00 N ATOM 531 NH2 ARG A 36 -8.242 9.607 -15.395 1.00 0.00 N ATOM 0 H ARG A 36 -1.570 10.404 -13.467 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.147 10.053 -11.108 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.531 8.421 -13.583 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.455 7.731 -12.263 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.598 10.289 -12.828 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.341 9.491 -14.367 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.363 7.410 -12.922 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.155 8.751 -12.119 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.745 7.725 -14.758 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.626 10.677 -12.825 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.857 11.497 -13.791 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.326 8.785 -15.993 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.816 10.431 -15.577 1.00 0.00 H new ATOM 545 N LEU A 37 -0.386 8.280 -11.465 1.00 0.00 N ATOM 546 CA LEU A 37 0.577 7.450 -10.749 1.00 0.00 C ATOM 547 C LEU A 37 1.085 8.162 -9.499 1.00 0.00 C ATOM 548 O LEU A 37 1.183 7.562 -8.428 1.00 0.00 O ATOM 549 CB LEU A 37 1.753 7.096 -11.661 1.00 0.00 C ATOM 550 CG LEU A 37 2.976 6.489 -10.973 1.00 0.00 C ATOM 551 CD1 LEU A 37 2.679 5.072 -10.508 1.00 0.00 C ATOM 552 CD2 LEU A 37 4.176 6.504 -11.909 1.00 0.00 C ATOM 0 H LEU A 37 -0.115 8.510 -12.421 1.00 0.00 H new ATOM 0 HA LEU A 37 0.073 6.533 -10.444 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.402 6.395 -12.418 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.066 8.000 -12.184 1.00 0.00 H new ATOM 0 HG LEU A 37 3.214 7.094 -10.098 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.561 4.657 -10.021 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.848 5.087 -9.803 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.415 4.455 -11.367 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.038 6.068 -11.403 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.948 5.923 -12.802 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.403 7.532 -12.193 1.00 0.00 H new ATOM 564 N SER A 38 1.405 9.444 -9.642 1.00 0.00 N ATOM 565 CA SER A 38 1.904 10.237 -8.525 1.00 0.00 C ATOM 566 C SER A 38 0.885 10.278 -7.390 1.00 0.00 C ATOM 567 O SER A 38 1.248 10.250 -6.214 1.00 0.00 O ATOM 568 CB SER A 38 2.228 11.659 -8.987 1.00 0.00 C ATOM 569 OG SER A 38 2.893 12.387 -7.968 1.00 0.00 O ATOM 0 H SER A 38 1.328 9.956 -10.521 1.00 0.00 H new ATOM 0 HA SER A 38 2.815 9.766 -8.155 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.854 11.621 -9.879 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.308 12.173 -9.264 1.00 0.00 H new ATOM 0 HG SER A 38 3.091 13.292 -8.288 1.00 0.00 H new ATOM 575 N HIS A 39 -0.392 10.345 -7.752 1.00 0.00 N ATOM 576 CA HIS A 39 -1.465 10.390 -6.764 1.00 0.00 C ATOM 577 C HIS A 39 -1.441 9.147 -5.880 1.00 0.00 C ATOM 578 O HIS A 39 -1.473 9.245 -4.652 1.00 0.00 O ATOM 579 CB HIS A 39 -2.821 10.510 -7.459 1.00 0.00 C ATOM 580 CG HIS A 39 -3.974 10.616 -6.509 1.00 0.00 C ATOM 581 ND1 HIS A 39 -4.530 9.697 -5.685 1.00 0.00 N flip ATOM 582 CD2 HIS A 39 -4.696 11.777 -6.328 1.00 0.00 C flip ATOM 583 CE1 HIS A 39 -5.566 10.313 -5.027 1.00 0.00 C flip ATOM 584 NE2 HIS A 39 -5.645 11.568 -5.433 1.00 0.00 N flip ATOM 0 H HIS A 39 -0.709 10.369 -8.721 1.00 0.00 H new ATOM 0 HA HIS A 39 -1.310 11.266 -6.134 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -2.812 11.387 -8.106 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -2.969 9.642 -8.101 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -4.514 12.711 -6.838 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.211 9.848 -4.297 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -6.323 12.258 -5.110 1.00 0.00 H new ATOM 592 N LEU A 40 -1.386 7.979 -6.511 1.00 0.00 N ATOM 593 CA LEU A 40 -1.359 6.716 -5.781 1.00 0.00 C ATOM 594 C LEU A 40 -0.008 6.507 -5.104 1.00 0.00 C ATOM 595 O LEU A 40 0.075 5.905 -4.033 1.00 0.00 O ATOM 596 CB LEU A 40 -1.653 5.551 -6.728 1.00 0.00 C ATOM 597 CG LEU A 40 -2.779 5.774 -7.737 1.00 0.00 C ATOM 598 CD1 LEU A 40 -2.841 4.625 -8.731 1.00 0.00 C ATOM 599 CD2 LEU A 40 -4.112 5.936 -7.021 1.00 0.00 C ATOM 0 H LEU A 40 -1.359 7.880 -7.526 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.129 6.754 -5.010 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.741 5.317 -7.277 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.898 4.674 -6.128 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.571 6.692 -8.287 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.649 4.802 -9.441 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.895 4.556 -9.267 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.024 3.692 -8.198 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.902 6.094 -7.755 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.327 5.036 -6.444 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.063 6.794 -6.350 1.00 0.00 H new ATOM 611 N PHE A 41 1.048 7.011 -5.734 1.00 0.00 N ATOM 612 CA PHE A 41 2.396 6.880 -5.191 1.00 0.00 C ATOM 613 C PHE A 41 2.480 7.486 -3.793 1.00 0.00 C ATOM 614 O PHE A 41 2.993 6.861 -2.865 1.00 0.00 O ATOM 615 CB PHE A 41 3.408 7.560 -6.115 1.00 0.00 C ATOM 616 CG PHE A 41 4.650 6.748 -6.345 1.00 0.00 C ATOM 617 CD1 PHE A 41 4.712 5.830 -7.381 1.00 0.00 C ATOM 618 CD2 PHE A 41 5.756 6.902 -5.524 1.00 0.00 C ATOM 619 CE1 PHE A 41 5.854 5.081 -7.595 1.00 0.00 C ATOM 620 CE2 PHE A 41 6.901 6.156 -5.734 1.00 0.00 C ATOM 621 CZ PHE A 41 6.949 5.243 -6.770 1.00 0.00 C ATOM 0 H PHE A 41 0.997 7.514 -6.620 1.00 0.00 H new ATOM 0 HA PHE A 41 2.632 5.818 -5.123 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.933 7.762 -7.075 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.687 8.523 -5.688 1.00 0.00 H new ATOM 0 HD1 PHE A 41 3.858 5.698 -8.029 1.00 0.00 H new ATOM 0 HD2 PHE A 41 5.723 7.613 -4.711 1.00 0.00 H new ATOM 0 HE1 PHE A 41 5.890 4.370 -8.407 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.757 6.287 -5.089 1.00 0.00 H new ATOM 0 HZ PHE A 41 7.841 4.657 -6.934 1.00 0.00 H new ATOM 631 N ARG A 42 1.972 8.706 -3.651 1.00 0.00 N ATOM 632 CA ARG A 42 1.991 9.396 -2.368 1.00 0.00 C ATOM 633 C ARG A 42 1.058 8.716 -1.370 1.00 0.00 C ATOM 634 O ARG A 42 1.249 8.818 -0.159 1.00 0.00 O ATOM 635 CB ARG A 42 1.584 10.860 -2.546 1.00 0.00 C ATOM 636 CG ARG A 42 1.490 11.630 -1.239 1.00 0.00 C ATOM 637 CD ARG A 42 0.043 11.880 -0.843 1.00 0.00 C ATOM 638 NE ARG A 42 -0.124 13.161 -0.162 1.00 0.00 N ATOM 639 CZ ARG A 42 -1.299 13.630 0.243 1.00 0.00 C ATOM 640 NH1 ARG A 42 -2.404 12.928 0.036 1.00 0.00 N ATOM 641 NH2 ARG A 42 -1.370 14.805 0.856 1.00 0.00 N ATOM 0 H ARG A 42 1.542 9.236 -4.409 1.00 0.00 H new ATOM 0 HA ARG A 42 3.007 9.353 -1.976 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.307 11.352 -3.197 1.00 0.00 H new ATOM 0 HB3 ARG A 42 0.619 10.901 -3.052 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.993 11.072 -0.450 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.011 12.582 -1.338 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -0.586 11.858 -1.733 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -0.299 11.076 -0.192 1.00 0.00 H new ATOM 0 HE ARG A 42 0.707 13.726 0.012 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -2.354 12.025 -0.435 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -3.305 13.291 0.348 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.522 15.349 1.016 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.273 15.164 1.167 1.00 0.00 H new ATOM 655 N GLN A 43 0.049 8.023 -1.889 1.00 0.00 N ATOM 656 CA GLN A 43 -0.913 7.328 -1.043 1.00 0.00 C ATOM 657 C GLN A 43 -0.334 6.016 -0.524 1.00 0.00 C ATOM 658 O GLN A 43 -0.532 5.656 0.636 1.00 0.00 O ATOM 659 CB GLN A 43 -2.203 7.057 -1.819 1.00 0.00 C ATOM 660 CG GLN A 43 -3.450 7.064 -0.949 1.00 0.00 C ATOM 661 CD GLN A 43 -3.590 5.803 -0.120 1.00 0.00 C ATOM 662 OE1 GLN A 43 -3.591 4.693 -0.652 1.00 0.00 O ATOM 663 NE2 GLN A 43 -3.709 5.968 1.193 1.00 0.00 N ATOM 0 H GLN A 43 -0.123 7.928 -2.890 1.00 0.00 H new ATOM 0 HA GLN A 43 -1.137 7.968 -0.190 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.311 7.809 -2.601 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -2.122 6.090 -2.316 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -3.421 7.929 -0.286 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -4.330 7.177 -1.582 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -3.703 6.907 1.592 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -3.806 5.156 1.802 1.00 0.00 H new ATOM 672 N GLN A 44 0.382 5.307 -1.390 1.00 0.00 N ATOM 673 CA GLN A 44 0.989 4.035 -1.018 1.00 0.00 C ATOM 674 C GLN A 44 2.309 4.255 -0.286 1.00 0.00 C ATOM 675 O GLN A 44 2.621 3.555 0.678 1.00 0.00 O ATOM 676 CB GLN A 44 1.219 3.172 -2.260 1.00 0.00 C ATOM 677 CG GLN A 44 -0.055 2.862 -3.029 1.00 0.00 C ATOM 678 CD GLN A 44 -0.978 1.923 -2.276 1.00 0.00 C ATOM 679 OE1 GLN A 44 -0.581 1.305 -1.288 1.00 0.00 O ATOM 680 NE2 GLN A 44 -2.217 1.812 -2.740 1.00 0.00 N ATOM 0 H GLN A 44 0.556 5.592 -2.354 1.00 0.00 H new ATOM 0 HA GLN A 44 0.304 3.517 -0.347 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.918 3.682 -2.922 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.689 2.236 -1.960 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.583 3.792 -3.240 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.204 2.417 -3.990 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.503 2.343 -3.562 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.883 1.195 -2.274 1.00 0.00 H new ATOM 689 N LEU A 45 3.082 5.231 -0.751 1.00 0.00 N ATOM 690 CA LEU A 45 4.369 5.543 -0.141 1.00 0.00 C ATOM 691 C LEU A 45 4.205 6.553 0.991 1.00 0.00 C ATOM 692 O LEU A 45 5.087 6.703 1.835 1.00 0.00 O ATOM 693 CB LEU A 45 5.335 6.091 -1.193 1.00 0.00 C ATOM 694 CG LEU A 45 6.712 5.429 -1.250 1.00 0.00 C ATOM 695 CD1 LEU A 45 7.342 5.626 -2.621 1.00 0.00 C ATOM 696 CD2 LEU A 45 7.617 5.985 -0.160 1.00 0.00 C ATOM 0 H LEU A 45 2.839 5.819 -1.548 1.00 0.00 H new ATOM 0 HA LEU A 45 4.779 4.622 0.275 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.867 5.994 -2.173 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.474 7.157 -1.010 1.00 0.00 H new ATOM 0 HG LEU A 45 6.587 4.360 -1.080 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.322 5.148 -2.643 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.703 5.179 -3.383 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.453 6.692 -2.820 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.593 5.502 -0.216 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.735 7.060 -0.298 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.172 5.792 0.816 1.00 0.00 H new ATOM 708 N GLY A 46 3.068 7.243 1.001 1.00 0.00 N ATOM 709 CA GLY A 46 2.808 8.228 2.034 1.00 0.00 C ATOM 710 C GLY A 46 3.688 9.455 1.900 1.00 0.00 C ATOM 711 O GLY A 46 3.673 10.335 2.761 1.00 0.00 O ATOM 0 H GLY A 46 2.323 7.137 0.312 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.761 8.529 1.990 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.968 7.775 3.012 1.00 0.00 H new ATOM 715 N ILE A 47 4.457 9.514 0.818 1.00 0.00 N ATOM 716 CA ILE A 47 5.348 10.642 0.575 1.00 0.00 C ATOM 717 C ILE A 47 5.484 10.923 -0.917 1.00 0.00 C ATOM 718 O ILE A 47 4.969 10.177 -1.749 1.00 0.00 O ATOM 719 CB ILE A 47 6.747 10.392 1.169 1.00 0.00 C ATOM 720 CG1 ILE A 47 7.470 9.296 0.384 1.00 0.00 C ATOM 721 CG2 ILE A 47 6.640 10.015 2.639 1.00 0.00 C ATOM 722 CD1 ILE A 47 8.847 8.975 0.922 1.00 0.00 C ATOM 0 H ILE A 47 4.481 8.794 0.096 1.00 0.00 H new ATOM 0 HA ILE A 47 4.903 11.508 1.066 1.00 0.00 H new ATOM 0 HB ILE A 47 7.327 11.312 1.092 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.863 8.390 0.397 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.559 9.605 -0.658 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.637 9.842 3.044 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.161 10.825 3.189 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.045 9.107 2.739 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.300 8.190 0.317 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.470 9.868 0.883 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.764 8.635 1.954 1.00 0.00 H new ATOM 734 N SER A 48 6.183 12.004 -1.249 1.00 0.00 N ATOM 735 CA SER A 48 6.386 12.386 -2.641 1.00 0.00 C ATOM 736 C SER A 48 7.432 11.494 -3.302 1.00 0.00 C ATOM 737 O SER A 48 8.437 11.136 -2.689 1.00 0.00 O ATOM 738 CB SER A 48 6.817 13.851 -2.733 1.00 0.00 C ATOM 739 OG SER A 48 7.719 14.183 -1.692 1.00 0.00 O ATOM 0 H SER A 48 6.618 12.631 -0.572 1.00 0.00 H new ATOM 0 HA SER A 48 5.440 12.260 -3.168 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.288 14.035 -3.699 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.940 14.496 -2.678 1.00 0.00 H new ATOM 0 HG SER A 48 7.981 15.124 -1.774 1.00 0.00 H new ATOM 745 N VAL A 49 7.187 11.138 -4.560 1.00 0.00 N ATOM 746 CA VAL A 49 8.108 10.288 -5.306 1.00 0.00 C ATOM 747 C VAL A 49 9.525 10.849 -5.269 1.00 0.00 C ATOM 748 O VAL A 49 10.492 10.109 -5.080 1.00 0.00 O ATOM 749 CB VAL A 49 7.666 10.136 -6.774 1.00 0.00 C ATOM 750 CG1 VAL A 49 7.445 11.500 -7.409 1.00 0.00 C ATOM 751 CG2 VAL A 49 8.692 9.333 -7.558 1.00 0.00 C ATOM 0 H VAL A 49 6.360 11.425 -5.083 1.00 0.00 H new ATOM 0 HA VAL A 49 8.095 9.309 -4.827 1.00 0.00 H new ATOM 0 HB VAL A 49 6.720 9.594 -6.797 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.133 11.373 -8.446 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.670 12.036 -6.860 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.373 12.071 -7.377 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.364 9.235 -8.593 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.654 9.845 -7.529 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.795 8.342 -7.115 1.00 0.00 H new ATOM 761 N LEU A 50 9.642 12.159 -5.451 1.00 0.00 N ATOM 762 CA LEU A 50 10.942 12.820 -5.438 1.00 0.00 C ATOM 763 C LEU A 50 11.602 12.698 -4.068 1.00 0.00 C ATOM 764 O LEU A 50 12.825 12.619 -3.962 1.00 0.00 O ATOM 765 CB LEU A 50 10.790 14.295 -5.814 1.00 0.00 C ATOM 766 CG LEU A 50 10.178 14.579 -7.186 1.00 0.00 C ATOM 767 CD1 LEU A 50 10.097 16.077 -7.436 1.00 0.00 C ATOM 768 CD2 LEU A 50 10.986 13.897 -8.282 1.00 0.00 C ATOM 0 H LEU A 50 8.852 12.785 -5.609 1.00 0.00 H new ATOM 0 HA LEU A 50 11.579 12.328 -6.173 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.175 14.781 -5.057 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.774 14.763 -5.774 1.00 0.00 H new ATOM 0 HG LEU A 50 9.166 14.174 -7.201 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.659 16.259 -8.417 1.00 0.00 H new ATOM 0 HD12 LEU A 50 9.476 16.541 -6.670 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.098 16.506 -7.400 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.536 14.110 -9.252 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.009 14.272 -8.267 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.992 12.820 -8.113 1.00 0.00 H new ATOM 780 N SER A 51 10.782 12.682 -3.022 1.00 0.00 N ATOM 781 CA SER A 51 11.285 12.571 -1.658 1.00 0.00 C ATOM 782 C SER A 51 11.783 11.157 -1.376 1.00 0.00 C ATOM 783 O SER A 51 12.843 10.968 -0.779 1.00 0.00 O ATOM 784 CB SER A 51 10.192 12.949 -0.656 1.00 0.00 C ATOM 785 OG SER A 51 10.594 12.657 0.671 1.00 0.00 O ATOM 0 H SER A 51 9.766 12.745 -3.093 1.00 0.00 H new ATOM 0 HA SER A 51 12.122 13.261 -1.549 1.00 0.00 H new ATOM 0 HB2 SER A 51 9.964 14.011 -0.745 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.276 12.406 -0.890 1.00 0.00 H new ATOM 0 HG SER A 51 9.879 12.909 1.292 1.00 0.00 H new ATOM 791 N TRP A 52 11.011 10.168 -1.810 1.00 0.00 N ATOM 792 CA TRP A 52 11.373 8.770 -1.605 1.00 0.00 C ATOM 793 C TRP A 52 12.741 8.467 -2.205 1.00 0.00 C ATOM 794 O TRP A 52 13.543 7.744 -1.614 1.00 0.00 O ATOM 795 CB TRP A 52 10.317 7.852 -2.223 1.00 0.00 C ATOM 796 CG TRP A 52 10.706 6.405 -2.211 1.00 0.00 C ATOM 797 CD1 TRP A 52 10.612 5.540 -1.158 1.00 0.00 C ATOM 798 CD2 TRP A 52 11.254 5.655 -3.301 1.00 0.00 C ATOM 799 NE1 TRP A 52 11.068 4.298 -1.528 1.00 0.00 N ATOM 800 CE2 TRP A 52 11.466 4.342 -2.838 1.00 0.00 C ATOM 801 CE3 TRP A 52 11.583 5.965 -4.623 1.00 0.00 C ATOM 802 CZ2 TRP A 52 11.994 3.343 -3.651 1.00 0.00 C ATOM 803 CZ3 TRP A 52 12.107 4.972 -5.429 1.00 0.00 C ATOM 804 CH2 TRP A 52 12.307 3.674 -4.942 1.00 0.00 C ATOM 0 H TRP A 52 10.131 10.308 -2.306 1.00 0.00 H new ATOM 0 HA TRP A 52 11.420 8.587 -0.531 1.00 0.00 H new ATOM 0 HB2 TRP A 52 9.379 7.973 -1.681 1.00 0.00 H new ATOM 0 HB3 TRP A 52 10.133 8.163 -3.251 1.00 0.00 H new ATOM 0 HD1 TRP A 52 10.235 5.795 -0.179 1.00 0.00 H new ATOM 0 HE1 TRP A 52 11.104 3.476 -0.925 1.00 0.00 H new ATOM 0 HE3 TRP A 52 11.431 6.962 -5.008 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 12.151 2.342 -3.277 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 12.367 5.201 -6.452 1.00 0.00 H new ATOM 0 HH2 TRP A 52 12.716 2.920 -5.598 1.00 0.00 H new ATOM 815 N ARG A 53 13.003 9.026 -3.382 1.00 0.00 N ATOM 816 CA ARG A 53 14.275 8.815 -4.063 1.00 0.00 C ATOM 817 C ARG A 53 15.440 9.270 -3.189 1.00 0.00 C ATOM 818 O ARG A 53 16.431 8.556 -3.040 1.00 0.00 O ATOM 819 CB ARG A 53 14.296 9.568 -5.394 1.00 0.00 C ATOM 820 CG ARG A 53 15.591 9.394 -6.171 1.00 0.00 C ATOM 821 CD ARG A 53 16.067 10.711 -6.763 1.00 0.00 C ATOM 822 NE ARG A 53 16.292 11.723 -5.734 1.00 0.00 N ATOM 823 CZ ARG A 53 16.357 13.026 -5.986 1.00 0.00 C ATOM 824 NH1 ARG A 53 16.214 13.472 -7.227 1.00 0.00 N ATOM 825 NH2 ARG A 53 16.564 13.885 -4.997 1.00 0.00 N ATOM 0 H ARG A 53 12.351 9.629 -3.884 1.00 0.00 H new ATOM 0 HA ARG A 53 14.383 7.748 -4.256 1.00 0.00 H new ATOM 0 HB2 ARG A 53 13.464 9.225 -6.009 1.00 0.00 H new ATOM 0 HB3 ARG A 53 14.136 10.629 -5.204 1.00 0.00 H new ATOM 0 HG2 ARG A 53 16.360 8.991 -5.512 1.00 0.00 H new ATOM 0 HG3 ARG A 53 15.442 8.667 -6.970 1.00 0.00 H new ATOM 0 HD2 ARG A 53 16.991 10.546 -7.318 1.00 0.00 H new ATOM 0 HD3 ARG A 53 15.328 11.077 -7.476 1.00 0.00 H new ATOM 0 HE ARG A 53 16.405 11.412 -4.769 1.00 0.00 H new ATOM 0 HH11 ARG A 53 16.054 12.814 -7.990 1.00 0.00 H new ATOM 0 HH12 ARG A 53 16.264 14.473 -7.418 1.00 0.00 H new ATOM 0 HH21 ARG A 53 16.674 13.546 -4.041 1.00 0.00 H new ATOM 0 HH22 ARG A 53 16.614 14.885 -5.192 1.00 0.00 H new ATOM 839 N GLU A 54 15.313 10.462 -2.616 1.00 0.00 N ATOM 840 CA GLU A 54 16.357 11.012 -1.759 1.00 0.00 C ATOM 841 C GLU A 54 16.503 10.188 -0.483 1.00 0.00 C ATOM 842 O GLU A 54 17.612 9.975 0.007 1.00 0.00 O ATOM 843 CB GLU A 54 16.044 12.468 -1.406 1.00 0.00 C ATOM 844 CG GLU A 54 17.093 13.119 -0.521 1.00 0.00 C ATOM 845 CD GLU A 54 16.912 14.620 -0.409 1.00 0.00 C ATOM 846 OE1 GLU A 54 16.183 15.193 -1.246 1.00 0.00 O ATOM 847 OE2 GLU A 54 17.499 15.222 0.514 1.00 0.00 O ATOM 0 H GLU A 54 14.498 11.065 -2.729 1.00 0.00 H new ATOM 0 HA GLU A 54 17.299 10.973 -2.306 1.00 0.00 H new ATOM 0 HB2 GLU A 54 15.949 13.044 -2.327 1.00 0.00 H new ATOM 0 HB3 GLU A 54 15.078 12.511 -0.902 1.00 0.00 H new ATOM 0 HG2 GLU A 54 17.049 12.676 0.474 1.00 0.00 H new ATOM 0 HG3 GLU A 54 18.084 12.905 -0.921 1.00 0.00 H new ATOM 854 N ASP A 55 15.377 9.728 0.050 1.00 0.00 N ATOM 855 CA ASP A 55 15.378 8.927 1.268 1.00 0.00 C ATOM 856 C ASP A 55 16.048 7.577 1.030 1.00 0.00 C ATOM 857 O ASP A 55 16.745 7.058 1.902 1.00 0.00 O ATOM 858 CB ASP A 55 13.948 8.720 1.770 1.00 0.00 C ATOM 859 CG ASP A 55 13.882 8.541 3.274 1.00 0.00 C ATOM 860 OD1 ASP A 55 13.869 9.562 3.992 1.00 0.00 O ATOM 861 OD2 ASP A 55 13.844 7.380 3.732 1.00 0.00 O ATOM 0 H ASP A 55 14.451 9.896 -0.343 1.00 0.00 H new ATOM 0 HA ASP A 55 15.946 9.465 2.027 1.00 0.00 H new ATOM 0 HB2 ASP A 55 13.338 9.576 1.482 1.00 0.00 H new ATOM 0 HB3 ASP A 55 13.519 7.844 1.284 1.00 0.00 H new ATOM 866 N GLN A 56 15.830 7.015 -0.154 1.00 0.00 N ATOM 867 CA GLN A 56 16.412 5.725 -0.505 1.00 0.00 C ATOM 868 C GLN A 56 17.930 5.823 -0.611 1.00 0.00 C ATOM 869 O GLN A 56 18.654 4.967 -0.102 1.00 0.00 O ATOM 870 CB GLN A 56 15.828 5.221 -1.826 1.00 0.00 C ATOM 871 CG GLN A 56 14.651 4.275 -1.649 1.00 0.00 C ATOM 872 CD GLN A 56 15.008 3.043 -0.841 1.00 0.00 C ATOM 873 OE1 GLN A 56 15.964 2.334 -1.158 1.00 0.00 O ATOM 874 NE2 GLN A 56 14.240 2.781 0.210 1.00 0.00 N ATOM 0 H GLN A 56 15.255 7.432 -0.886 1.00 0.00 H new ATOM 0 HA GLN A 56 16.167 5.017 0.286 1.00 0.00 H new ATOM 0 HB2 GLN A 56 15.510 6.076 -2.423 1.00 0.00 H new ATOM 0 HB3 GLN A 56 16.611 4.713 -2.389 1.00 0.00 H new ATOM 0 HG2 GLN A 56 13.836 4.804 -1.156 1.00 0.00 H new ATOM 0 HG3 GLN A 56 14.286 3.969 -2.629 1.00 0.00 H new ATOM 0 HE21 GLN A 56 13.458 3.396 0.436 1.00 0.00 H new ATOM 0 HE22 GLN A 56 14.432 1.965 0.791 1.00 0.00 H new ATOM 883 N ARG A 57 18.406 6.871 -1.275 1.00 0.00 N ATOM 884 CA ARG A 57 19.838 7.080 -1.450 1.00 0.00 C ATOM 885 C ARG A 57 20.494 7.478 -0.131 1.00 0.00 C ATOM 886 O ARG A 57 21.577 6.997 0.205 1.00 0.00 O ATOM 887 CB ARG A 57 20.093 8.158 -2.504 1.00 0.00 C ATOM 888 CG ARG A 57 19.421 9.485 -2.194 1.00 0.00 C ATOM 889 CD ARG A 57 19.621 10.488 -3.319 1.00 0.00 C ATOM 890 NE ARG A 57 19.579 11.866 -2.838 1.00 0.00 N ATOM 891 CZ ARG A 57 19.485 12.922 -3.639 1.00 0.00 C ATOM 892 NH1 ARG A 57 19.422 12.757 -4.953 1.00 0.00 N ATOM 893 NH2 ARG A 57 19.452 14.145 -3.126 1.00 0.00 N ATOM 0 H ARG A 57 17.820 7.589 -1.701 1.00 0.00 H new ATOM 0 HA ARG A 57 20.278 6.141 -1.787 1.00 0.00 H new ATOM 0 HB2 ARG A 57 21.167 8.317 -2.596 1.00 0.00 H new ATOM 0 HB3 ARG A 57 19.740 7.799 -3.471 1.00 0.00 H new ATOM 0 HG2 ARG A 57 18.355 9.325 -2.033 1.00 0.00 H new ATOM 0 HG3 ARG A 57 19.826 9.891 -1.267 1.00 0.00 H new ATOM 0 HD2 ARG A 57 20.579 10.302 -3.804 1.00 0.00 H new ATOM 0 HD3 ARG A 57 18.849 10.344 -4.074 1.00 0.00 H new ATOM 0 HE ARG A 57 19.624 12.027 -1.832 1.00 0.00 H new ATOM 0 HH11 ARG A 57 19.446 11.818 -5.351 1.00 0.00 H new ATOM 0 HH12 ARG A 57 19.350 13.569 -5.566 1.00 0.00 H new ATOM 0 HH21 ARG A 57 19.499 14.276 -2.115 1.00 0.00 H new ATOM 0 HH22 ARG A 57 19.380 14.955 -3.742 1.00 0.00 H new ATOM 907 N ILE A 58 19.831 8.358 0.612 1.00 0.00 N ATOM 908 CA ILE A 58 20.349 8.820 1.893 1.00 0.00 C ATOM 909 C ILE A 58 20.370 7.690 2.917 1.00 0.00 C ATOM 910 O ILE A 58 21.318 7.557 3.691 1.00 0.00 O ATOM 911 CB ILE A 58 19.514 9.988 2.451 1.00 0.00 C ATOM 912 CG1 ILE A 58 19.732 11.247 1.610 1.00 0.00 C ATOM 913 CG2 ILE A 58 19.871 10.247 3.906 1.00 0.00 C ATOM 914 CD1 ILE A 58 21.129 11.816 1.727 1.00 0.00 C ATOM 0 H ILE A 58 18.934 8.765 0.348 1.00 0.00 H new ATOM 0 HA ILE A 58 21.367 9.165 1.715 1.00 0.00 H new ATOM 0 HB ILE A 58 18.459 9.718 2.399 1.00 0.00 H new ATOM 0 HG12 ILE A 58 19.529 11.016 0.564 1.00 0.00 H new ATOM 0 HG13 ILE A 58 19.012 12.007 1.914 1.00 0.00 H new ATOM 0 HG21 ILE A 58 19.273 11.075 4.286 1.00 0.00 H new ATOM 0 HG22 ILE A 58 19.668 9.353 4.495 1.00 0.00 H new ATOM 0 HG23 ILE A 58 20.929 10.499 3.982 1.00 0.00 H new ATOM 0 HD11 ILE A 58 21.212 12.707 1.105 1.00 0.00 H new ATOM 0 HD12 ILE A 58 21.329 12.079 2.766 1.00 0.00 H new ATOM 0 HD13 ILE A 58 21.854 11.073 1.395 1.00 0.00 H new ATOM 926 N SER A 59 19.318 6.877 2.915 1.00 0.00 N ATOM 927 CA SER A 59 19.214 5.759 3.845 1.00 0.00 C ATOM 928 C SER A 59 20.218 4.665 3.493 1.00 0.00 C ATOM 929 O SER A 59 20.740 3.982 4.374 1.00 0.00 O ATOM 930 CB SER A 59 17.795 5.188 3.832 1.00 0.00 C ATOM 931 OG SER A 59 17.608 4.264 4.890 1.00 0.00 O ATOM 0 H SER A 59 18.526 6.972 2.280 1.00 0.00 H new ATOM 0 HA SER A 59 19.440 6.128 4.845 1.00 0.00 H new ATOM 0 HB2 SER A 59 17.072 5.999 3.921 1.00 0.00 H new ATOM 0 HB3 SER A 59 17.606 4.696 2.878 1.00 0.00 H new ATOM 0 HG SER A 59 16.693 3.914 4.861 1.00 0.00 H new ATOM 937 N GLN A 60 20.482 4.506 2.201 1.00 0.00 N ATOM 938 CA GLN A 60 21.422 3.495 1.732 1.00 0.00 C ATOM 939 C GLN A 60 22.855 3.882 2.080 1.00 0.00 C ATOM 940 O GLN A 60 23.665 3.033 2.452 1.00 0.00 O ATOM 941 CB GLN A 60 21.285 3.302 0.221 1.00 0.00 C ATOM 942 CG GLN A 60 21.952 2.037 -0.294 1.00 0.00 C ATOM 943 CD GLN A 60 21.441 0.787 0.394 1.00 0.00 C ATOM 944 OE1 GLN A 60 22.136 0.361 1.442 1.00 0.00 O flip ATOM 945 NE2 GLN A 60 20.432 0.209 -0.012 1.00 0.00 N flip ATOM 0 H GLN A 60 20.058 5.064 1.460 1.00 0.00 H new ATOM 0 HA GLN A 60 21.187 2.556 2.233 1.00 0.00 H new ATOM 0 HB2 GLN A 60 20.227 3.276 -0.039 1.00 0.00 H new ATOM 0 HB3 GLN A 60 21.717 4.164 -0.288 1.00 0.00 H new ATOM 0 HG2 GLN A 60 21.782 1.952 -1.367 1.00 0.00 H new ATOM 0 HG3 GLN A 60 23.029 2.113 -0.147 1.00 0.00 H new ATOM 0 HE21 GLN A 60 19.928 0.571 -0.821 1.00 0.00 H new ATOM 0 HE22 GLN A 60 20.101 -0.632 0.461 1.00 0.00 H new ATOM 954 N ALA A 61 23.162 5.169 1.956 1.00 0.00 N ATOM 955 CA ALA A 61 24.498 5.668 2.259 1.00 0.00 C ATOM 956 C ALA A 61 24.832 5.482 3.735 1.00 0.00 C ATOM 957 O ALA A 61 25.914 5.008 4.082 1.00 0.00 O ATOM 958 CB ALA A 61 24.613 7.135 1.871 1.00 0.00 C ATOM 0 H ALA A 61 22.504 5.885 1.648 1.00 0.00 H new ATOM 0 HA ALA A 61 25.216 5.091 1.676 1.00 0.00 H new ATOM 0 HB1 ALA A 61 25.615 7.495 2.103 1.00 0.00 H new ATOM 0 HB2 ALA A 61 24.426 7.245 0.803 1.00 0.00 H new ATOM 0 HB3 ALA A 61 23.880 7.718 2.429 1.00 0.00 H new ATOM 964 N LYS A 62 23.897 5.857 4.601 1.00 0.00 N ATOM 965 CA LYS A 62 24.091 5.731 6.040 1.00 0.00 C ATOM 966 C LYS A 62 24.038 4.268 6.470 1.00 0.00 C ATOM 967 O LYS A 62 24.728 3.861 7.406 1.00 0.00 O ATOM 968 CB LYS A 62 23.026 6.533 6.792 1.00 0.00 C ATOM 969 CG LYS A 62 21.604 6.102 6.475 1.00 0.00 C ATOM 970 CD LYS A 62 20.588 7.093 7.017 1.00 0.00 C ATOM 971 CE LYS A 62 20.641 7.173 8.535 1.00 0.00 C ATOM 972 NZ LYS A 62 20.352 5.857 9.170 1.00 0.00 N ATOM 0 H LYS A 62 22.996 6.251 4.331 1.00 0.00 H new ATOM 0 HA LYS A 62 25.076 6.128 6.284 1.00 0.00 H new ATOM 0 HB2 LYS A 62 23.197 6.433 7.864 1.00 0.00 H new ATOM 0 HB3 LYS A 62 23.139 7.589 6.549 1.00 0.00 H new ATOM 0 HG2 LYS A 62 21.483 6.009 5.396 1.00 0.00 H new ATOM 0 HG3 LYS A 62 21.417 5.117 6.903 1.00 0.00 H new ATOM 0 HD2 LYS A 62 20.778 8.079 6.593 1.00 0.00 H new ATOM 0 HD3 LYS A 62 19.587 6.798 6.702 1.00 0.00 H new ATOM 0 HE2 LYS A 62 21.627 7.518 8.846 1.00 0.00 H new ATOM 0 HE3 LYS A 62 19.920 7.911 8.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 20.163 5.995 10.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 19.519 5.429 8.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 21.172 5.228 9.053 1.00 0.00 H new ATOM 986 N LEU A 63 23.218 3.483 5.781 1.00 0.00 N ATOM 987 CA LEU A 63 23.077 2.064 6.091 1.00 0.00 C ATOM 988 C LEU A 63 24.357 1.305 5.759 1.00 0.00 C ATOM 989 O LEU A 63 24.875 0.550 6.584 1.00 0.00 O ATOM 990 CB LEU A 63 21.901 1.468 5.316 1.00 0.00 C ATOM 991 CG LEU A 63 21.597 -0.006 5.588 1.00 0.00 C ATOM 992 CD1 LEU A 63 22.514 -0.900 4.768 1.00 0.00 C ATOM 993 CD2 LEU A 63 21.735 -0.314 7.071 1.00 0.00 C ATOM 0 H LEU A 63 22.641 3.804 5.004 1.00 0.00 H new ATOM 0 HA LEU A 63 22.886 1.967 7.160 1.00 0.00 H new ATOM 0 HB2 LEU A 63 21.009 2.051 5.544 1.00 0.00 H new ATOM 0 HB3 LEU A 63 22.096 1.588 4.250 1.00 0.00 H new ATOM 0 HG LEU A 63 20.568 -0.206 5.290 1.00 0.00 H new ATOM 0 HD11 LEU A 63 22.283 -1.945 4.975 1.00 0.00 H new ATOM 0 HD12 LEU A 63 22.365 -0.698 3.707 1.00 0.00 H new ATOM 0 HD13 LEU A 63 23.552 -0.698 5.034 1.00 0.00 H new ATOM 0 HD21 LEU A 63 21.515 -1.367 7.246 1.00 0.00 H new ATOM 0 HD22 LEU A 63 22.753 -0.097 7.394 1.00 0.00 H new ATOM 0 HD23 LEU A 63 21.036 0.302 7.637 1.00 0.00 H new ATOM 1005 N LEU A 64 24.864 1.510 4.549 1.00 0.00 N ATOM 1006 CA LEU A 64 26.086 0.846 4.108 1.00 0.00 C ATOM 1007 C LEU A 64 27.301 1.393 4.851 1.00 0.00 C ATOM 1008 O LEU A 64 28.219 0.647 5.196 1.00 0.00 O ATOM 1009 CB LEU A 64 26.273 1.026 2.601 1.00 0.00 C ATOM 1010 CG LEU A 64 26.742 2.408 2.143 1.00 0.00 C ATOM 1011 CD1 LEU A 64 28.261 2.472 2.111 1.00 0.00 C ATOM 1012 CD2 LEU A 64 26.164 2.741 0.775 1.00 0.00 C ATOM 0 H LEU A 64 24.448 2.131 3.855 1.00 0.00 H new ATOM 0 HA LEU A 64 25.993 -0.217 4.332 1.00 0.00 H new ATOM 0 HB2 LEU A 64 26.994 0.286 2.254 1.00 0.00 H new ATOM 0 HB3 LEU A 64 25.326 0.804 2.109 1.00 0.00 H new ATOM 0 HG LEU A 64 26.382 3.148 2.858 1.00 0.00 H new ATOM 0 HD11 LEU A 64 28.577 3.462 1.783 1.00 0.00 H new ATOM 0 HD12 LEU A 64 28.654 2.278 3.109 1.00 0.00 H new ATOM 0 HD13 LEU A 64 28.642 1.722 1.418 1.00 0.00 H new ATOM 0 HD21 LEU A 64 26.508 3.728 0.465 1.00 0.00 H new ATOM 0 HD22 LEU A 64 26.494 1.997 0.050 1.00 0.00 H new ATOM 0 HD23 LEU A 64 25.075 2.737 0.829 1.00 0.00 H new ATOM 1024 N LEU A 65 27.299 2.698 5.098 1.00 0.00 N ATOM 1025 CA LEU A 65 28.400 3.346 5.803 1.00 0.00 C ATOM 1026 C LEU A 65 28.653 2.676 7.149 1.00 0.00 C ATOM 1027 O LEU A 65 29.779 2.668 7.648 1.00 0.00 O ATOM 1028 CB LEU A 65 28.097 4.831 6.008 1.00 0.00 C ATOM 1029 CG LEU A 65 28.583 5.774 4.907 1.00 0.00 C ATOM 1030 CD1 LEU A 65 27.783 7.067 4.919 1.00 0.00 C ATOM 1031 CD2 LEU A 65 30.069 6.063 5.069 1.00 0.00 C ATOM 0 H LEU A 65 26.547 3.329 4.821 1.00 0.00 H new ATOM 0 HA LEU A 65 29.298 3.246 5.194 1.00 0.00 H new ATOM 0 HB2 LEU A 65 27.018 4.950 6.111 1.00 0.00 H new ATOM 0 HB3 LEU A 65 28.544 5.145 6.951 1.00 0.00 H new ATOM 0 HG LEU A 65 28.431 5.286 3.945 1.00 0.00 H new ATOM 0 HD11 LEU A 65 28.143 7.725 4.128 1.00 0.00 H new ATOM 0 HD12 LEU A 65 26.729 6.844 4.753 1.00 0.00 H new ATOM 0 HD13 LEU A 65 27.902 7.560 5.884 1.00 0.00 H new ATOM 0 HD21 LEU A 65 30.397 6.736 4.277 1.00 0.00 H new ATOM 0 HD22 LEU A 65 30.245 6.530 6.038 1.00 0.00 H new ATOM 0 HD23 LEU A 65 30.630 5.130 5.009 1.00 0.00 H new ATOM 1043 N SER A 66 27.600 2.111 7.731 1.00 0.00 N ATOM 1044 CA SER A 66 27.708 1.440 9.021 1.00 0.00 C ATOM 1045 C SER A 66 28.409 0.093 8.875 1.00 0.00 C ATOM 1046 O SER A 66 29.138 -0.342 9.767 1.00 0.00 O ATOM 1047 CB SER A 66 26.320 1.241 9.634 1.00 0.00 C ATOM 1048 OG SER A 66 26.398 1.124 11.044 1.00 0.00 O ATOM 0 H SER A 66 26.662 2.105 7.330 1.00 0.00 H new ATOM 0 HA SER A 66 28.303 2.070 9.682 1.00 0.00 H new ATOM 0 HB2 SER A 66 25.679 2.082 9.371 1.00 0.00 H new ATOM 0 HB3 SER A 66 25.859 0.346 9.216 1.00 0.00 H new ATOM 0 HG SER A 66 25.498 0.999 11.412 1.00 0.00 H new ATOM 1054 N THR A 67 28.183 -0.565 7.742 1.00 0.00 N ATOM 1055 CA THR A 67 28.791 -1.863 7.478 1.00 0.00 C ATOM 1056 C THR A 67 30.026 -1.723 6.596 1.00 0.00 C ATOM 1057 O THR A 67 30.597 -2.717 6.146 1.00 0.00 O ATOM 1058 CB THR A 67 27.795 -2.822 6.797 1.00 0.00 C ATOM 1059 OG1 THR A 67 28.423 -4.084 6.548 1.00 0.00 O ATOM 1060 CG2 THR A 67 27.286 -2.235 5.489 1.00 0.00 C ATOM 0 H THR A 67 27.583 -0.220 6.993 1.00 0.00 H new ATOM 0 HA THR A 67 29.082 -2.277 8.443 1.00 0.00 H new ATOM 0 HB THR A 67 26.947 -2.965 7.466 1.00 0.00 H new ATOM 0 HG1 THR A 67 29.389 -3.954 6.446 1.00 0.00 H new ATOM 0 HG21 THR A 67 26.585 -2.930 5.027 1.00 0.00 H new ATOM 0 HG22 THR A 67 26.782 -1.289 5.686 1.00 0.00 H new ATOM 0 HG23 THR A 67 28.126 -2.065 4.815 1.00 0.00 H new ATOM 1068 N THR A 68 30.436 -0.482 6.353 1.00 0.00 N ATOM 1069 CA THR A 68 31.604 -0.211 5.525 1.00 0.00 C ATOM 1070 C THR A 68 32.522 0.812 6.185 1.00 0.00 C ATOM 1071 O THR A 68 32.109 1.536 7.091 1.00 0.00 O ATOM 1072 CB THR A 68 31.198 0.305 4.131 1.00 0.00 C ATOM 1073 OG1 THR A 68 30.597 1.600 4.245 1.00 0.00 O ATOM 1074 CG2 THR A 68 30.225 -0.654 3.462 1.00 0.00 C ATOM 0 H THR A 68 29.976 0.352 6.718 1.00 0.00 H new ATOM 0 HA THR A 68 32.137 -1.155 5.414 1.00 0.00 H new ATOM 0 HB THR A 68 32.096 0.374 3.517 1.00 0.00 H new ATOM 0 HG1 THR A 68 29.707 1.513 4.646 1.00 0.00 H new ATOM 0 HG21 THR A 68 29.952 -0.269 2.479 1.00 0.00 H new ATOM 0 HG22 THR A 68 30.695 -1.631 3.351 1.00 0.00 H new ATOM 0 HG23 THR A 68 29.329 -0.750 4.075 1.00 0.00 H new ATOM 1082 N ARG A 69 33.767 0.866 5.725 1.00 0.00 N ATOM 1083 CA ARG A 69 34.743 1.801 6.272 1.00 0.00 C ATOM 1084 C ARG A 69 35.299 2.709 5.179 1.00 0.00 C ATOM 1085 O ARG A 69 36.352 3.324 5.346 1.00 0.00 O ATOM 1086 CB ARG A 69 35.886 1.040 6.948 1.00 0.00 C ATOM 1087 CG ARG A 69 36.418 -0.119 6.122 1.00 0.00 C ATOM 1088 CD ARG A 69 35.674 -1.410 6.430 1.00 0.00 C ATOM 1089 NE ARG A 69 35.591 -2.285 5.264 1.00 0.00 N ATOM 1090 CZ ARG A 69 35.025 -3.486 5.285 1.00 0.00 C ATOM 1091 NH1 ARG A 69 34.493 -3.952 6.407 1.00 0.00 N ATOM 1092 NH2 ARG A 69 34.988 -4.224 4.183 1.00 0.00 N ATOM 0 H ARG A 69 34.124 0.274 4.975 1.00 0.00 H new ATOM 0 HA ARG A 69 34.239 2.421 7.013 1.00 0.00 H new ATOM 0 HB2 ARG A 69 36.702 1.733 7.153 1.00 0.00 H new ATOM 0 HB3 ARG A 69 35.540 0.661 7.910 1.00 0.00 H new ATOM 0 HG2 ARG A 69 36.321 0.114 5.062 1.00 0.00 H new ATOM 0 HG3 ARG A 69 37.481 -0.253 6.323 1.00 0.00 H new ATOM 0 HD2 ARG A 69 36.178 -1.934 7.242 1.00 0.00 H new ATOM 0 HD3 ARG A 69 34.669 -1.175 6.779 1.00 0.00 H new ATOM 0 HE ARG A 69 35.990 -1.956 4.385 1.00 0.00 H new ATOM 0 HH11 ARG A 69 34.518 -3.388 7.256 1.00 0.00 H new ATOM 0 HH12 ARG A 69 34.059 -4.875 6.421 1.00 0.00 H new ATOM 0 HH21 ARG A 69 35.395 -3.869 3.318 1.00 0.00 H new ATOM 0 HH22 ARG A 69 34.553 -5.146 4.201 1.00 0.00 H new ATOM 1106 N MET A 70 34.584 2.786 4.062 1.00 0.00 N ATOM 1107 CA MET A 70 35.006 3.620 2.941 1.00 0.00 C ATOM 1108 C MET A 70 34.862 5.100 3.281 1.00 0.00 C ATOM 1109 O MET A 70 34.064 5.491 4.132 1.00 0.00 O ATOM 1110 CB MET A 70 34.185 3.288 1.694 1.00 0.00 C ATOM 1111 CG MET A 70 34.484 1.915 1.116 1.00 0.00 C ATOM 1112 SD MET A 70 33.678 1.638 -0.473 1.00 0.00 S ATOM 1113 CE MET A 70 31.956 1.622 0.020 1.00 0.00 C ATOM 0 H MET A 70 33.711 2.282 3.908 1.00 0.00 H new ATOM 0 HA MET A 70 36.057 3.412 2.740 1.00 0.00 H new ATOM 0 HB2 MET A 70 33.125 3.346 1.941 1.00 0.00 H new ATOM 0 HB3 MET A 70 34.376 4.043 0.932 1.00 0.00 H new ATOM 0 HG2 MET A 70 35.562 1.802 0.997 1.00 0.00 H new ATOM 0 HG3 MET A 70 34.160 1.150 1.821 1.00 0.00 H new ATOM 0 HE1 MET A 70 31.343 1.269 -0.809 1.00 0.00 H new ATOM 0 HE2 MET A 70 31.828 0.957 0.874 1.00 0.00 H new ATOM 0 HE3 MET A 70 31.647 2.630 0.296 1.00 0.00 H new ATOM 1123 N PRO A 71 35.653 5.943 2.600 1.00 0.00 N ATOM 1124 CA PRO A 71 35.631 7.394 2.813 1.00 0.00 C ATOM 1125 C PRO A 71 34.344 8.035 2.305 1.00 0.00 C ATOM 1126 O PRO A 71 33.703 7.520 1.389 1.00 0.00 O ATOM 1127 CB PRO A 71 36.831 7.889 2.002 1.00 0.00 C ATOM 1128 CG PRO A 71 37.029 6.855 0.948 1.00 0.00 C ATOM 1129 CD PRO A 71 36.628 5.546 1.571 1.00 0.00 C ATOM 0 HA PRO A 71 35.678 7.652 3.871 1.00 0.00 H new ATOM 0 HB2 PRO A 71 36.636 8.868 1.564 1.00 0.00 H new ATOM 0 HB3 PRO A 71 37.717 7.991 2.628 1.00 0.00 H new ATOM 0 HG2 PRO A 71 36.421 7.072 0.070 1.00 0.00 H new ATOM 0 HG3 PRO A 71 38.067 6.828 0.618 1.00 0.00 H new ATOM 0 HD2 PRO A 71 36.186 4.871 0.838 1.00 0.00 H new ATOM 0 HD3 PRO A 71 37.483 5.029 2.006 1.00 0.00 H new ATOM 1137 N ILE A 72 33.972 9.160 2.906 1.00 0.00 N ATOM 1138 CA ILE A 72 32.762 9.872 2.513 1.00 0.00 C ATOM 1139 C ILE A 72 32.744 10.136 1.012 1.00 0.00 C ATOM 1140 O ILE A 72 31.681 10.186 0.393 1.00 0.00 O ATOM 1141 CB ILE A 72 32.629 11.211 3.261 1.00 0.00 C ATOM 1142 CG1 ILE A 72 32.643 10.980 4.774 1.00 0.00 C ATOM 1143 CG2 ILE A 72 31.354 11.928 2.841 1.00 0.00 C ATOM 1144 CD1 ILE A 72 32.644 12.259 5.581 1.00 0.00 C ATOM 0 H ILE A 72 34.491 9.598 3.667 1.00 0.00 H new ATOM 0 HA ILE A 72 31.919 9.233 2.777 1.00 0.00 H new ATOM 0 HB ILE A 72 33.480 11.841 3.001 1.00 0.00 H new ATOM 0 HG12 ILE A 72 31.772 10.386 5.051 1.00 0.00 H new ATOM 0 HG13 ILE A 72 33.524 10.394 5.036 1.00 0.00 H new ATOM 0 HG21 ILE A 72 31.274 12.873 3.378 1.00 0.00 H new ATOM 0 HG22 ILE A 72 31.382 12.122 1.769 1.00 0.00 H new ATOM 0 HG23 ILE A 72 30.492 11.304 3.075 1.00 0.00 H new ATOM 0 HD11 ILE A 72 32.654 12.018 6.644 1.00 0.00 H new ATOM 0 HD12 ILE A 72 33.529 12.845 5.333 1.00 0.00 H new ATOM 0 HD13 ILE A 72 31.749 12.837 5.348 1.00 0.00 H new ATOM 1156 N ALA A 73 33.927 10.304 0.431 1.00 0.00 N ATOM 1157 CA ALA A 73 34.047 10.559 -0.999 1.00 0.00 C ATOM 1158 C ALA A 73 33.600 9.350 -1.812 1.00 0.00 C ATOM 1159 O ALA A 73 32.834 9.479 -2.768 1.00 0.00 O ATOM 1160 CB ALA A 73 35.480 10.933 -1.350 1.00 0.00 C ATOM 0 H ALA A 73 34.816 10.268 0.929 1.00 0.00 H new ATOM 0 HA ALA A 73 33.393 11.394 -1.250 1.00 0.00 H new ATOM 0 HB1 ALA A 73 35.555 11.121 -2.421 1.00 0.00 H new ATOM 0 HB2 ALA A 73 35.766 11.832 -0.803 1.00 0.00 H new ATOM 0 HB3 ALA A 73 36.147 10.115 -1.077 1.00 0.00 H new ATOM 1166 N THR A 74 34.082 8.172 -1.427 1.00 0.00 N ATOM 1167 CA THR A 74 33.733 6.939 -2.122 1.00 0.00 C ATOM 1168 C THR A 74 32.261 6.596 -1.927 1.00 0.00 C ATOM 1169 O THR A 74 31.566 6.237 -2.878 1.00 0.00 O ATOM 1170 CB THR A 74 34.593 5.757 -1.635 1.00 0.00 C ATOM 1171 OG1 THR A 74 35.976 6.016 -1.899 1.00 0.00 O ATOM 1172 CG2 THR A 74 34.174 4.465 -2.320 1.00 0.00 C ATOM 0 H THR A 74 34.715 8.046 -0.637 1.00 0.00 H new ATOM 0 HA THR A 74 33.927 7.107 -3.181 1.00 0.00 H new ATOM 0 HB THR A 74 34.443 5.645 -0.561 1.00 0.00 H new ATOM 0 HG1 THR A 74 36.516 5.261 -1.585 1.00 0.00 H new ATOM 0 HG21 THR A 74 34.795 3.645 -1.960 1.00 0.00 H new ATOM 0 HG22 THR A 74 33.129 4.255 -2.093 1.00 0.00 H new ATOM 0 HG23 THR A 74 34.298 4.568 -3.398 1.00 0.00 H new ATOM 1180 N VAL A 75 31.791 6.709 -0.689 1.00 0.00 N ATOM 1181 CA VAL A 75 30.399 6.412 -0.370 1.00 0.00 C ATOM 1182 C VAL A 75 29.450 7.248 -1.221 1.00 0.00 C ATOM 1183 O VAL A 75 28.424 6.757 -1.690 1.00 0.00 O ATOM 1184 CB VAL A 75 30.098 6.669 1.119 1.00 0.00 C ATOM 1185 CG1 VAL A 75 28.674 6.252 1.455 1.00 0.00 C ATOM 1186 CG2 VAL A 75 31.099 5.937 1.999 1.00 0.00 C ATOM 0 H VAL A 75 32.353 7.004 0.109 1.00 0.00 H new ATOM 0 HA VAL A 75 30.242 5.356 -0.588 1.00 0.00 H new ATOM 0 HB VAL A 75 30.193 7.737 1.312 1.00 0.00 H new ATOM 0 HG11 VAL A 75 28.479 6.441 2.511 1.00 0.00 H new ATOM 0 HG12 VAL A 75 27.974 6.827 0.848 1.00 0.00 H new ATOM 0 HG13 VAL A 75 28.547 5.190 1.247 1.00 0.00 H new ATOM 0 HG21 VAL A 75 30.871 6.130 3.047 1.00 0.00 H new ATOM 0 HG22 VAL A 75 31.039 4.866 1.806 1.00 0.00 H new ATOM 0 HG23 VAL A 75 32.106 6.290 1.776 1.00 0.00 H new ATOM 1196 N GLY A 76 29.800 8.516 -1.416 1.00 0.00 N ATOM 1197 CA GLY A 76 28.968 9.401 -2.211 1.00 0.00 C ATOM 1198 C GLY A 76 28.743 8.878 -3.616 1.00 0.00 C ATOM 1199 O GLY A 76 27.628 8.935 -4.136 1.00 0.00 O ATOM 0 H GLY A 76 30.644 8.946 -1.038 1.00 0.00 H new ATOM 0 HA2 GLY A 76 28.005 9.531 -1.717 1.00 0.00 H new ATOM 0 HA3 GLY A 76 29.435 10.384 -2.263 1.00 0.00 H new ATOM 1203 N ARG A 77 29.804 8.369 -4.233 1.00 0.00 N ATOM 1204 CA ARG A 77 29.718 7.837 -5.588 1.00 0.00 C ATOM 1205 C ARG A 77 28.675 6.726 -5.670 1.00 0.00 C ATOM 1206 O ARG A 77 28.000 6.569 -6.687 1.00 0.00 O ATOM 1207 CB ARG A 77 31.080 7.306 -6.038 1.00 0.00 C ATOM 1208 CG ARG A 77 32.062 8.399 -6.424 1.00 0.00 C ATOM 1209 CD ARG A 77 33.234 7.841 -7.217 1.00 0.00 C ATOM 1210 NE ARG A 77 34.362 8.768 -7.253 1.00 0.00 N ATOM 1211 CZ ARG A 77 35.378 8.657 -8.101 1.00 0.00 C ATOM 1212 NH1 ARG A 77 35.408 7.663 -8.978 1.00 0.00 N ATOM 1213 NH2 ARG A 77 36.368 9.540 -8.072 1.00 0.00 N ATOM 0 H ARG A 77 30.733 8.314 -3.816 1.00 0.00 H new ATOM 0 HA ARG A 77 29.415 8.647 -6.251 1.00 0.00 H new ATOM 0 HB2 ARG A 77 31.511 6.709 -5.234 1.00 0.00 H new ATOM 0 HB3 ARG A 77 30.938 6.640 -6.889 1.00 0.00 H new ATOM 0 HG2 ARG A 77 31.549 9.158 -7.015 1.00 0.00 H new ATOM 0 HG3 ARG A 77 32.432 8.892 -5.525 1.00 0.00 H new ATOM 0 HD2 ARG A 77 33.554 6.898 -6.775 1.00 0.00 H new ATOM 0 HD3 ARG A 77 32.912 7.623 -8.235 1.00 0.00 H new ATOM 0 HE ARG A 77 34.370 9.543 -6.590 1.00 0.00 H new ATOM 0 HH11 ARG A 77 34.650 6.981 -9.002 1.00 0.00 H new ATOM 0 HH12 ARG A 77 36.189 7.580 -9.628 1.00 0.00 H new ATOM 0 HH21 ARG A 77 36.349 10.305 -7.398 1.00 0.00 H new ATOM 0 HH22 ARG A 77 37.148 9.454 -8.724 1.00 0.00 H new ATOM 1227 N ASN A 78 28.549 5.958 -4.592 1.00 0.00 N ATOM 1228 CA ASN A 78 27.589 4.862 -4.543 1.00 0.00 C ATOM 1229 C ASN A 78 26.163 5.379 -4.708 1.00 0.00 C ATOM 1230 O ASN A 78 25.302 4.692 -5.258 1.00 0.00 O ATOM 1231 CB ASN A 78 27.718 4.102 -3.221 1.00 0.00 C ATOM 1232 CG ASN A 78 28.295 2.712 -3.407 1.00 0.00 C ATOM 1233 OD1 ASN A 78 27.690 1.858 -4.055 1.00 0.00 O ATOM 1234 ND2 ASN A 78 29.472 2.479 -2.837 1.00 0.00 N ATOM 0 H ASN A 78 29.100 6.075 -3.741 1.00 0.00 H new ATOM 0 HA ASN A 78 27.808 4.184 -5.368 1.00 0.00 H new ATOM 0 HB2 ASN A 78 28.354 4.668 -2.540 1.00 0.00 H new ATOM 0 HB3 ASN A 78 26.737 4.025 -2.752 1.00 0.00 H new ATOM 0 HD21 ASN A 78 29.910 1.562 -2.928 1.00 0.00 H new ATOM 0 HD22 ASN A 78 29.938 3.217 -2.309 1.00 0.00 H new ATOM 1241 N VAL A 79 25.921 6.595 -4.228 1.00 0.00 N ATOM 1242 CA VAL A 79 24.601 7.205 -4.324 1.00 0.00 C ATOM 1243 C VAL A 79 24.537 8.199 -5.478 1.00 0.00 C ATOM 1244 O VAL A 79 23.646 9.045 -5.534 1.00 0.00 O ATOM 1245 CB VAL A 79 24.220 7.927 -3.017 1.00 0.00 C ATOM 1246 CG1 VAL A 79 24.186 6.946 -1.855 1.00 0.00 C ATOM 1247 CG2 VAL A 79 25.190 9.065 -2.737 1.00 0.00 C ATOM 0 H VAL A 79 26.622 7.176 -3.769 1.00 0.00 H new ATOM 0 HA VAL A 79 23.892 6.397 -4.505 1.00 0.00 H new ATOM 0 HB VAL A 79 23.222 8.350 -3.133 1.00 0.00 H new ATOM 0 HG11 VAL A 79 23.915 7.474 -0.941 1.00 0.00 H new ATOM 0 HG12 VAL A 79 23.449 6.168 -2.057 1.00 0.00 H new ATOM 0 HG13 VAL A 79 25.169 6.491 -1.734 1.00 0.00 H new ATOM 0 HG21 VAL A 79 24.907 9.565 -1.811 1.00 0.00 H new ATOM 0 HG22 VAL A 79 26.200 8.667 -2.641 1.00 0.00 H new ATOM 0 HG23 VAL A 79 25.159 9.780 -3.559 1.00 0.00 H new ATOM 1257 N GLY A 80 25.490 8.090 -6.399 1.00 0.00 N ATOM 1258 CA GLY A 80 25.524 8.985 -7.541 1.00 0.00 C ATOM 1259 C GLY A 80 26.033 10.366 -7.179 1.00 0.00 C ATOM 1260 O GLY A 80 26.080 11.260 -8.025 1.00 0.00 O ATOM 0 H GLY A 80 26.239 7.398 -6.375 1.00 0.00 H new ATOM 0 HA2 GLY A 80 26.161 8.557 -8.315 1.00 0.00 H new ATOM 0 HA3 GLY A 80 24.523 9.069 -7.963 1.00 0.00 H new ATOM 1264 N PHE A 81 26.415 10.543 -5.919 1.00 0.00 N ATOM 1265 CA PHE A 81 26.921 11.827 -5.446 1.00 0.00 C ATOM 1266 C PHE A 81 28.400 11.986 -5.786 1.00 0.00 C ATOM 1267 O PHE A 81 29.243 11.223 -5.312 1.00 0.00 O ATOM 1268 CB PHE A 81 26.717 11.955 -3.935 1.00 0.00 C ATOM 1269 CG PHE A 81 25.358 12.471 -3.556 1.00 0.00 C ATOM 1270 CD1 PHE A 81 24.215 11.936 -4.127 1.00 0.00 C ATOM 1271 CD2 PHE A 81 25.224 13.491 -2.628 1.00 0.00 C ATOM 1272 CE1 PHE A 81 22.964 12.409 -3.780 1.00 0.00 C ATOM 1273 CE2 PHE A 81 23.976 13.969 -2.277 1.00 0.00 C ATOM 1274 CZ PHE A 81 22.844 13.426 -2.853 1.00 0.00 C ATOM 0 H PHE A 81 26.384 9.814 -5.207 1.00 0.00 H new ATOM 0 HA PHE A 81 26.363 12.617 -5.949 1.00 0.00 H new ATOM 0 HB2 PHE A 81 26.869 10.980 -3.472 1.00 0.00 H new ATOM 0 HB3 PHE A 81 27.477 12.623 -3.529 1.00 0.00 H new ATOM 0 HD1 PHE A 81 24.303 11.140 -4.852 1.00 0.00 H new ATOM 0 HD2 PHE A 81 26.106 13.918 -2.173 1.00 0.00 H new ATOM 0 HE1 PHE A 81 22.081 11.984 -4.233 1.00 0.00 H new ATOM 0 HE2 PHE A 81 23.886 14.766 -1.554 1.00 0.00 H new ATOM 0 HZ PHE A 81 21.867 13.796 -2.579 1.00 0.00 H new ATOM 1284 N ASP A 82 28.708 12.982 -6.609 1.00 0.00 N ATOM 1285 CA ASP A 82 30.085 13.243 -7.012 1.00 0.00 C ATOM 1286 C ASP A 82 30.781 14.158 -6.009 1.00 0.00 C ATOM 1287 O ASP A 82 31.990 14.061 -5.801 1.00 0.00 O ATOM 1288 CB ASP A 82 30.120 13.873 -8.406 1.00 0.00 C ATOM 1289 CG ASP A 82 31.386 13.529 -9.165 1.00 0.00 C ATOM 1290 OD1 ASP A 82 32.469 13.996 -8.756 1.00 0.00 O ATOM 1291 OD2 ASP A 82 31.294 12.792 -10.170 1.00 0.00 O ATOM 0 H ASP A 82 28.023 13.622 -7.010 1.00 0.00 H new ATOM 0 HA ASP A 82 30.617 12.292 -7.038 1.00 0.00 H new ATOM 0 HB2 ASP A 82 29.255 13.535 -8.976 1.00 0.00 H new ATOM 0 HB3 ASP A 82 30.038 14.956 -8.314 1.00 0.00 H new ATOM 1296 N ASP A 83 30.009 15.046 -5.392 1.00 0.00 N ATOM 1297 CA ASP A 83 30.551 15.978 -4.410 1.00 0.00 C ATOM 1298 C ASP A 83 30.431 15.412 -2.999 1.00 0.00 C ATOM 1299 O ASP A 83 29.330 15.147 -2.518 1.00 0.00 O ATOM 1300 CB ASP A 83 29.826 17.322 -4.497 1.00 0.00 C ATOM 1301 CG ASP A 83 30.364 18.199 -5.611 1.00 0.00 C ATOM 1302 OD1 ASP A 83 30.165 17.847 -6.793 1.00 0.00 O ATOM 1303 OD2 ASP A 83 30.984 19.238 -5.301 1.00 0.00 O ATOM 0 H ASP A 83 29.006 15.140 -5.554 1.00 0.00 H new ATOM 0 HA ASP A 83 31.607 16.128 -4.633 1.00 0.00 H new ATOM 0 HB2 ASP A 83 28.762 17.148 -4.657 1.00 0.00 H new ATOM 0 HB3 ASP A 83 29.924 17.846 -3.546 1.00 0.00 H new ATOM 1308 N GLN A 84 31.572 15.230 -2.341 1.00 0.00 N ATOM 1309 CA GLN A 84 31.594 14.693 -0.985 1.00 0.00 C ATOM 1310 C GLN A 84 30.864 15.622 -0.021 1.00 0.00 C ATOM 1311 O GLN A 84 30.128 15.169 0.857 1.00 0.00 O ATOM 1312 CB GLN A 84 33.036 14.486 -0.520 1.00 0.00 C ATOM 1313 CG GLN A 84 33.886 15.744 -0.592 1.00 0.00 C ATOM 1314 CD GLN A 84 35.358 15.469 -0.358 1.00 0.00 C ATOM 1315 OE1 GLN A 84 35.912 15.834 0.680 1.00 0.00 O ATOM 1316 NE2 GLN A 84 36.000 14.821 -1.322 1.00 0.00 N ATOM 0 H GLN A 84 32.492 15.446 -2.724 1.00 0.00 H new ATOM 0 HA GLN A 84 31.081 13.731 -0.993 1.00 0.00 H new ATOM 0 HB2 GLN A 84 33.029 14.121 0.507 1.00 0.00 H new ATOM 0 HB3 GLN A 84 33.498 13.710 -1.131 1.00 0.00 H new ATOM 0 HG2 GLN A 84 33.758 16.208 -1.570 1.00 0.00 H new ATOM 0 HG3 GLN A 84 33.532 16.460 0.150 1.00 0.00 H new ATOM 0 HE21 GLN A 84 35.501 14.537 -2.165 1.00 0.00 H new ATOM 0 HE22 GLN A 84 36.992 14.607 -1.219 1.00 0.00 H new ATOM 1325 N LEU A 85 31.073 16.923 -0.188 1.00 0.00 N ATOM 1326 CA LEU A 85 30.435 17.917 0.668 1.00 0.00 C ATOM 1327 C LEU A 85 28.933 17.975 0.410 1.00 0.00 C ATOM 1328 O LEU A 85 28.144 18.214 1.324 1.00 0.00 O ATOM 1329 CB LEU A 85 31.058 19.295 0.436 1.00 0.00 C ATOM 1330 CG LEU A 85 32.585 19.357 0.480 1.00 0.00 C ATOM 1331 CD1 LEU A 85 33.075 20.734 0.059 1.00 0.00 C ATOM 1332 CD2 LEU A 85 33.093 19.012 1.872 1.00 0.00 C ATOM 0 H LEU A 85 31.680 17.314 -0.909 1.00 0.00 H new ATOM 0 HA LEU A 85 30.595 17.623 1.705 1.00 0.00 H new ATOM 0 HB2 LEU A 85 30.727 19.662 -0.536 1.00 0.00 H new ATOM 0 HB3 LEU A 85 30.665 19.981 1.187 1.00 0.00 H new ATOM 0 HG LEU A 85 32.980 18.622 -0.222 1.00 0.00 H new ATOM 0 HD11 LEU A 85 34.164 20.760 0.096 1.00 0.00 H new ATOM 0 HD12 LEU A 85 32.742 20.944 -0.957 1.00 0.00 H new ATOM 0 HD13 LEU A 85 32.671 21.487 0.736 1.00 0.00 H new ATOM 0 HD21 LEU A 85 34.182 19.061 1.885 1.00 0.00 H new ATOM 0 HD22 LEU A 85 32.689 19.723 2.593 1.00 0.00 H new ATOM 0 HD23 LEU A 85 32.772 18.005 2.137 1.00 0.00 H new ATOM 1344 N TYR A 86 28.544 17.753 -0.841 1.00 0.00 N ATOM 1345 CA TYR A 86 27.137 17.780 -1.220 1.00 0.00 C ATOM 1346 C TYR A 86 26.348 16.717 -0.462 1.00 0.00 C ATOM 1347 O TYR A 86 25.224 16.957 -0.021 1.00 0.00 O ATOM 1348 CB TYR A 86 26.989 17.563 -2.727 1.00 0.00 C ATOM 1349 CG TYR A 86 25.554 17.408 -3.178 1.00 0.00 C ATOM 1350 CD1 TYR A 86 24.562 18.261 -2.711 1.00 0.00 C ATOM 1351 CD2 TYR A 86 25.191 16.409 -4.074 1.00 0.00 C ATOM 1352 CE1 TYR A 86 23.250 18.123 -3.120 1.00 0.00 C ATOM 1353 CE2 TYR A 86 23.881 16.265 -4.489 1.00 0.00 C ATOM 1354 CZ TYR A 86 22.914 17.123 -4.009 1.00 0.00 C ATOM 1355 OH TYR A 86 21.609 16.983 -4.420 1.00 0.00 O ATOM 0 H TYR A 86 29.184 17.552 -1.610 1.00 0.00 H new ATOM 0 HA TYR A 86 26.736 18.759 -0.959 1.00 0.00 H new ATOM 0 HB2 TYR A 86 27.437 18.406 -3.253 1.00 0.00 H new ATOM 0 HB3 TYR A 86 27.550 16.673 -3.014 1.00 0.00 H new ATOM 0 HD1 TYR A 86 24.821 19.046 -2.016 1.00 0.00 H new ATOM 0 HD2 TYR A 86 25.945 15.735 -4.452 1.00 0.00 H new ATOM 0 HE1 TYR A 86 22.491 18.794 -2.746 1.00 0.00 H new ATOM 0 HE2 TYR A 86 23.616 15.484 -5.186 1.00 0.00 H new ATOM 0 HH TYR A 86 21.542 16.232 -5.047 1.00 0.00 H new ATOM 1365 N PHE A 87 26.946 15.539 -0.314 1.00 0.00 N ATOM 1366 CA PHE A 87 26.300 14.437 0.390 1.00 0.00 C ATOM 1367 C PHE A 87 26.135 14.761 1.872 1.00 0.00 C ATOM 1368 O PHE A 87 25.058 14.586 2.440 1.00 0.00 O ATOM 1369 CB PHE A 87 27.114 13.152 0.225 1.00 0.00 C ATOM 1370 CG PHE A 87 26.662 12.036 1.123 1.00 0.00 C ATOM 1371 CD1 PHE A 87 25.379 11.524 1.022 1.00 0.00 C ATOM 1372 CD2 PHE A 87 27.520 11.501 2.070 1.00 0.00 C ATOM 1373 CE1 PHE A 87 24.960 10.497 1.847 1.00 0.00 C ATOM 1374 CE2 PHE A 87 27.107 10.474 2.897 1.00 0.00 C ATOM 1375 CZ PHE A 87 25.825 9.972 2.787 1.00 0.00 C ATOM 0 H PHE A 87 27.876 15.323 -0.672 1.00 0.00 H new ATOM 0 HA PHE A 87 25.311 14.291 -0.044 1.00 0.00 H new ATOM 0 HB2 PHE A 87 27.050 12.822 -0.812 1.00 0.00 H new ATOM 0 HB3 PHE A 87 28.163 13.368 0.427 1.00 0.00 H new ATOM 0 HD1 PHE A 87 24.698 11.932 0.290 1.00 0.00 H new ATOM 0 HD2 PHE A 87 28.523 11.891 2.163 1.00 0.00 H new ATOM 0 HE1 PHE A 87 23.957 10.106 1.757 1.00 0.00 H new ATOM 0 HE2 PHE A 87 27.787 10.064 3.629 1.00 0.00 H new ATOM 0 HZ PHE A 87 25.500 9.171 3.434 1.00 0.00 H new ATOM 1385 N SER A 88 27.212 15.234 2.492 1.00 0.00 N ATOM 1386 CA SER A 88 27.189 15.578 3.908 1.00 0.00 C ATOM 1387 C SER A 88 26.253 16.755 4.166 1.00 0.00 C ATOM 1388 O SER A 88 25.563 16.802 5.184 1.00 0.00 O ATOM 1389 CB SER A 88 28.599 15.917 4.395 1.00 0.00 C ATOM 1390 OG SER A 88 28.616 16.137 5.795 1.00 0.00 O ATOM 0 H SER A 88 28.111 15.387 2.035 1.00 0.00 H new ATOM 0 HA SER A 88 26.819 14.714 4.460 1.00 0.00 H new ATOM 0 HB2 SER A 88 29.279 15.104 4.143 1.00 0.00 H new ATOM 0 HB3 SER A 88 28.961 16.807 3.880 1.00 0.00 H new ATOM 0 HG SER A 88 29.529 16.350 6.082 1.00 0.00 H new ATOM 1396 N ARG A 89 26.237 17.704 3.236 1.00 0.00 N ATOM 1397 CA ARG A 89 25.388 18.883 3.362 1.00 0.00 C ATOM 1398 C ARG A 89 23.913 18.490 3.382 1.00 0.00 C ATOM 1399 O ARG A 89 23.164 18.897 4.270 1.00 0.00 O ATOM 1400 CB ARG A 89 25.652 19.854 2.210 1.00 0.00 C ATOM 1401 CG ARG A 89 26.890 20.713 2.410 1.00 0.00 C ATOM 1402 CD ARG A 89 26.693 21.722 3.530 1.00 0.00 C ATOM 1403 NE ARG A 89 25.519 22.561 3.310 1.00 0.00 N ATOM 1404 CZ ARG A 89 25.499 23.592 2.473 1.00 0.00 C ATOM 1405 NH1 ARG A 89 26.584 23.909 1.780 1.00 0.00 N ATOM 1406 NH2 ARG A 89 24.391 24.309 2.327 1.00 0.00 N ATOM 0 H ARG A 89 26.802 17.680 2.387 1.00 0.00 H new ATOM 0 HA ARG A 89 25.629 19.375 4.304 1.00 0.00 H new ATOM 0 HB2 ARG A 89 25.759 19.287 1.285 1.00 0.00 H new ATOM 0 HB3 ARG A 89 24.785 20.503 2.087 1.00 0.00 H new ATOM 0 HG2 ARG A 89 27.744 20.075 2.640 1.00 0.00 H new ATOM 0 HG3 ARG A 89 27.124 21.237 1.483 1.00 0.00 H new ATOM 0 HD2 ARG A 89 26.589 21.195 4.479 1.00 0.00 H new ATOM 0 HD3 ARG A 89 27.579 22.352 3.610 1.00 0.00 H new ATOM 0 HE ARG A 89 24.667 22.344 3.827 1.00 0.00 H new ATOM 0 HH11 ARG A 89 27.437 23.360 1.889 1.00 0.00 H new ATOM 0 HH12 ARG A 89 26.566 24.701 1.138 1.00 0.00 H new ATOM 0 HH21 ARG A 89 23.554 24.068 2.858 1.00 0.00 H new ATOM 0 HH22 ARG A 89 24.377 25.101 1.684 1.00 0.00 H new ATOM 1420 N VAL A 90 23.503 17.698 2.396 1.00 0.00 N ATOM 1421 CA VAL A 90 22.119 17.251 2.300 1.00 0.00 C ATOM 1422 C VAL A 90 21.791 16.242 3.395 1.00 0.00 C ATOM 1423 O VAL A 90 20.749 16.331 4.045 1.00 0.00 O ATOM 1424 CB VAL A 90 21.828 16.615 0.928 1.00 0.00 C ATOM 1425 CG1 VAL A 90 20.401 16.092 0.873 1.00 0.00 C ATOM 1426 CG2 VAL A 90 22.080 17.619 -0.188 1.00 0.00 C ATOM 0 H VAL A 90 24.110 17.353 1.653 1.00 0.00 H new ATOM 0 HA VAL A 90 21.492 18.134 2.423 1.00 0.00 H new ATOM 0 HB VAL A 90 22.504 15.771 0.787 1.00 0.00 H new ATOM 0 HG11 VAL A 90 20.214 15.646 -0.104 1.00 0.00 H new ATOM 0 HG12 VAL A 90 20.259 15.339 1.648 1.00 0.00 H new ATOM 0 HG13 VAL A 90 19.705 16.915 1.035 1.00 0.00 H new ATOM 0 HG21 VAL A 90 21.870 17.153 -1.151 1.00 0.00 H new ATOM 0 HG22 VAL A 90 21.430 18.484 -0.053 1.00 0.00 H new ATOM 0 HG23 VAL A 90 23.121 17.940 -0.160 1.00 0.00 H new ATOM 1436 N PHE A 91 22.687 15.281 3.594 1.00 0.00 N ATOM 1437 CA PHE A 91 22.493 14.253 4.611 1.00 0.00 C ATOM 1438 C PHE A 91 22.407 14.874 6.002 1.00 0.00 C ATOM 1439 O PHE A 91 21.660 14.403 6.860 1.00 0.00 O ATOM 1440 CB PHE A 91 23.636 13.237 4.564 1.00 0.00 C ATOM 1441 CG PHE A 91 23.480 12.113 5.547 1.00 0.00 C ATOM 1442 CD1 PHE A 91 22.239 11.535 5.767 1.00 0.00 C ATOM 1443 CD2 PHE A 91 24.572 11.633 6.251 1.00 0.00 C ATOM 1444 CE1 PHE A 91 22.092 10.500 6.670 1.00 0.00 C ATOM 1445 CE2 PHE A 91 24.431 10.598 7.156 1.00 0.00 C ATOM 1446 CZ PHE A 91 23.189 10.031 7.366 1.00 0.00 C ATOM 0 H PHE A 91 23.554 15.192 3.065 1.00 0.00 H new ATOM 0 HA PHE A 91 21.553 13.742 4.401 1.00 0.00 H new ATOM 0 HB2 PHE A 91 23.702 12.823 3.558 1.00 0.00 H new ATOM 0 HB3 PHE A 91 24.577 13.752 4.759 1.00 0.00 H new ATOM 0 HD1 PHE A 91 21.378 11.898 5.226 1.00 0.00 H new ATOM 0 HD2 PHE A 91 25.545 12.073 6.091 1.00 0.00 H new ATOM 0 HE1 PHE A 91 21.120 10.058 6.832 1.00 0.00 H new ATOM 0 HE2 PHE A 91 25.291 10.233 7.698 1.00 0.00 H new ATOM 0 HZ PHE A 91 23.076 9.223 8.073 1.00 0.00 H new ATOM 1456 N LYS A 92 23.177 15.935 6.219 1.00 0.00 N ATOM 1457 CA LYS A 92 23.188 16.623 7.504 1.00 0.00 C ATOM 1458 C LYS A 92 21.786 17.090 7.884 1.00 0.00 C ATOM 1459 O LYS A 92 21.323 16.854 9.001 1.00 0.00 O ATOM 1460 CB LYS A 92 24.140 17.820 7.457 1.00 0.00 C ATOM 1461 CG LYS A 92 24.059 18.711 8.685 1.00 0.00 C ATOM 1462 CD LYS A 92 25.139 19.779 8.671 1.00 0.00 C ATOM 1463 CE LYS A 92 24.769 20.957 9.559 1.00 0.00 C ATOM 1464 NZ LYS A 92 25.919 21.881 9.762 1.00 0.00 N ATOM 0 H LYS A 92 23.802 16.337 5.520 1.00 0.00 H new ATOM 0 HA LYS A 92 23.535 15.920 8.261 1.00 0.00 H new ATOM 0 HB2 LYS A 92 25.162 17.457 7.349 1.00 0.00 H new ATOM 0 HB3 LYS A 92 23.918 18.415 6.571 1.00 0.00 H new ATOM 0 HG2 LYS A 92 23.078 19.185 8.728 1.00 0.00 H new ATOM 0 HG3 LYS A 92 24.159 18.103 9.584 1.00 0.00 H new ATOM 0 HD2 LYS A 92 26.082 19.349 9.009 1.00 0.00 H new ATOM 0 HD3 LYS A 92 25.295 20.127 7.650 1.00 0.00 H new ATOM 0 HE2 LYS A 92 23.939 21.503 9.111 1.00 0.00 H new ATOM 0 HE3 LYS A 92 24.424 20.589 10.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 25.626 22.671 10.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 26.702 21.367 10.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 26.233 22.252 8.843 1.00 0.00 H new ATOM 1478 N LYS A 93 21.114 17.752 6.949 1.00 0.00 N ATOM 1479 CA LYS A 93 19.764 18.250 7.184 1.00 0.00 C ATOM 1480 C LYS A 93 18.744 17.120 7.089 1.00 0.00 C ATOM 1481 O LYS A 93 17.669 17.190 7.687 1.00 0.00 O ATOM 1482 CB LYS A 93 19.421 19.348 6.175 1.00 0.00 C ATOM 1483 CG LYS A 93 20.265 20.601 6.329 1.00 0.00 C ATOM 1484 CD LYS A 93 20.227 21.457 5.074 1.00 0.00 C ATOM 1485 CE LYS A 93 21.516 22.246 4.899 1.00 0.00 C ATOM 1486 NZ LYS A 93 21.707 23.243 5.988 1.00 0.00 N ATOM 0 H LYS A 93 21.483 17.956 6.020 1.00 0.00 H new ATOM 0 HA LYS A 93 19.726 18.666 8.191 1.00 0.00 H new ATOM 0 HB2 LYS A 93 19.549 18.956 5.166 1.00 0.00 H new ATOM 0 HB3 LYS A 93 18.369 19.613 6.283 1.00 0.00 H new ATOM 0 HG2 LYS A 93 19.904 21.182 7.178 1.00 0.00 H new ATOM 0 HG3 LYS A 93 21.295 20.322 6.549 1.00 0.00 H new ATOM 0 HD2 LYS A 93 20.067 20.821 4.203 1.00 0.00 H new ATOM 0 HD3 LYS A 93 19.383 22.144 5.126 1.00 0.00 H new ATOM 0 HE2 LYS A 93 22.363 21.560 4.882 1.00 0.00 H new ATOM 0 HE3 LYS A 93 21.501 22.758 3.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 22.596 23.760 5.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 20.912 23.913 5.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 21.747 22.753 6.904 1.00 0.00 H new ATOM 1500 N CYS A 94 19.087 16.081 6.336 1.00 0.00 N ATOM 1501 CA CYS A 94 18.200 14.936 6.163 1.00 0.00 C ATOM 1502 C CYS A 94 17.877 14.291 7.507 1.00 0.00 C ATOM 1503 O CYS A 94 16.713 14.049 7.829 1.00 0.00 O ATOM 1504 CB CYS A 94 18.839 13.906 5.231 1.00 0.00 C ATOM 1505 SG CYS A 94 17.667 13.084 4.126 1.00 0.00 S ATOM 0 H CYS A 94 19.973 16.008 5.836 1.00 0.00 H new ATOM 0 HA CYS A 94 17.271 15.292 5.718 1.00 0.00 H new ATOM 0 HB2 CYS A 94 19.603 14.400 4.631 1.00 0.00 H new ATOM 0 HB3 CYS A 94 19.345 13.151 5.833 1.00 0.00 H new ATOM 0 HG CYS A 94 17.721 13.634 2.949 1.00 0.00 H new ATOM 1511 N THR A 95 18.915 14.014 8.290 1.00 0.00 N ATOM 1512 CA THR A 95 18.743 13.395 9.598 1.00 0.00 C ATOM 1513 C THR A 95 18.939 14.411 10.717 1.00 0.00 C ATOM 1514 O THR A 95 18.620 14.143 11.875 1.00 0.00 O ATOM 1515 CB THR A 95 19.727 12.228 9.802 1.00 0.00 C ATOM 1516 OG1 THR A 95 19.701 11.798 11.167 1.00 0.00 O ATOM 1517 CG2 THR A 95 21.141 12.640 9.421 1.00 0.00 C ATOM 0 H THR A 95 19.885 14.209 8.040 1.00 0.00 H new ATOM 0 HA THR A 95 17.724 13.011 9.634 1.00 0.00 H new ATOM 0 HB THR A 95 19.419 11.405 9.157 1.00 0.00 H new ATOM 0 HG1 THR A 95 19.142 12.409 11.692 1.00 0.00 H new ATOM 0 HG21 THR A 95 21.818 11.800 9.573 1.00 0.00 H new ATOM 0 HG22 THR A 95 21.163 12.938 8.373 1.00 0.00 H new ATOM 0 HG23 THR A 95 21.456 13.478 10.043 1.00 0.00 H new ATOM 1525 N GLY A 96 19.464 15.580 10.364 1.00 0.00 N ATOM 1526 CA GLY A 96 19.693 16.619 11.351 1.00 0.00 C ATOM 1527 C GLY A 96 21.114 16.616 11.878 1.00 0.00 C ATOM 1528 O GLY A 96 21.517 17.524 12.603 1.00 0.00 O ATOM 0 H GLY A 96 19.735 15.826 9.412 1.00 0.00 H new ATOM 0 HA2 GLY A 96 19.475 17.591 10.908 1.00 0.00 H new ATOM 0 HA3 GLY A 96 19.000 16.485 12.182 1.00 0.00 H new ATOM 1532 N ALA A 97 21.876 15.590 11.513 1.00 0.00 N ATOM 1533 CA ALA A 97 23.261 15.471 11.954 1.00 0.00 C ATOM 1534 C ALA A 97 24.163 15.012 10.814 1.00 0.00 C ATOM 1535 O ALA A 97 23.710 14.350 9.880 1.00 0.00 O ATOM 1536 CB ALA A 97 23.360 14.509 13.129 1.00 0.00 C ATOM 0 H ALA A 97 21.558 14.829 10.913 1.00 0.00 H new ATOM 0 HA ALA A 97 23.600 16.456 12.276 1.00 0.00 H new ATOM 0 HB1 ALA A 97 24.399 14.430 13.448 1.00 0.00 H new ATOM 0 HB2 ALA A 97 22.754 14.881 13.955 1.00 0.00 H new ATOM 0 HB3 ALA A 97 22.997 13.527 12.826 1.00 0.00 H new ATOM 1542 N SER A 98 25.441 15.368 10.896 1.00 0.00 N ATOM 1543 CA SER A 98 26.406 14.996 9.868 1.00 0.00 C ATOM 1544 C SER A 98 26.671 13.494 9.891 1.00 0.00 C ATOM 1545 O SER A 98 26.315 12.788 10.835 1.00 0.00 O ATOM 1546 CB SER A 98 27.716 15.760 10.068 1.00 0.00 C ATOM 1547 OG SER A 98 27.907 16.721 9.045 1.00 0.00 O ATOM 0 H SER A 98 25.832 15.914 11.664 1.00 0.00 H new ATOM 0 HA SER A 98 25.986 15.259 8.897 1.00 0.00 H new ATOM 0 HB2 SER A 98 27.707 16.255 11.039 1.00 0.00 H new ATOM 0 HB3 SER A 98 28.552 15.060 10.074 1.00 0.00 H new ATOM 0 HG SER A 98 28.750 17.197 9.196 1.00 0.00 H new ATOM 1553 N PRO A 99 27.313 12.991 8.826 1.00 0.00 N ATOM 1554 CA PRO A 99 27.642 11.568 8.698 1.00 0.00 C ATOM 1555 C PRO A 99 28.726 11.134 9.679 1.00 0.00 C ATOM 1556 O PRO A 99 28.687 10.023 10.209 1.00 0.00 O ATOM 1557 CB PRO A 99 28.145 11.448 7.257 1.00 0.00 C ATOM 1558 CG PRO A 99 28.646 12.809 6.917 1.00 0.00 C ATOM 1559 CD PRO A 99 27.767 13.773 7.664 1.00 0.00 C ATOM 0 HA PRO A 99 26.786 10.930 8.919 1.00 0.00 H new ATOM 0 HB2 PRO A 99 28.936 10.703 7.174 1.00 0.00 H new ATOM 0 HB3 PRO A 99 27.346 11.140 6.583 1.00 0.00 H new ATOM 0 HG2 PRO A 99 29.689 12.925 7.210 1.00 0.00 H new ATOM 0 HG3 PRO A 99 28.595 12.986 5.843 1.00 0.00 H new ATOM 0 HD2 PRO A 99 28.316 14.664 7.969 1.00 0.00 H new ATOM 0 HD3 PRO A 99 26.929 14.109 7.053 1.00 0.00 H new ATOM 1567 N SER A 100 29.691 12.016 9.916 1.00 0.00 N ATOM 1568 CA SER A 100 30.788 11.722 10.831 1.00 0.00 C ATOM 1569 C SER A 100 30.288 11.644 12.270 1.00 0.00 C ATOM 1570 O SER A 100 30.812 10.880 13.079 1.00 0.00 O ATOM 1571 CB SER A 100 31.878 12.789 10.714 1.00 0.00 C ATOM 1572 OG SER A 100 32.430 12.812 9.409 1.00 0.00 O ATOM 0 H SER A 100 29.736 12.940 9.487 1.00 0.00 H new ATOM 0 HA SER A 100 31.208 10.754 10.558 1.00 0.00 H new ATOM 0 HB2 SER A 100 31.461 13.767 10.953 1.00 0.00 H new ATOM 0 HB3 SER A 100 32.665 12.591 11.442 1.00 0.00 H new ATOM 0 HG SER A 100 33.123 13.503 9.359 1.00 0.00 H new ATOM 1578 N GLU A 101 29.272 12.443 12.581 1.00 0.00 N ATOM 1579 CA GLU A 101 28.702 12.465 13.923 1.00 0.00 C ATOM 1580 C GLU A 101 28.012 11.143 14.244 1.00 0.00 C ATOM 1581 O GLU A 101 28.228 10.558 15.305 1.00 0.00 O ATOM 1582 CB GLU A 101 27.706 13.619 14.059 1.00 0.00 C ATOM 1583 CG GLU A 101 28.185 14.915 13.426 1.00 0.00 C ATOM 1584 CD GLU A 101 29.530 15.365 13.965 1.00 0.00 C ATOM 1585 OE1 GLU A 101 29.657 15.501 15.200 1.00 0.00 O ATOM 1586 OE2 GLU A 101 30.453 15.580 13.153 1.00 0.00 O ATOM 0 H GLU A 101 28.827 13.083 11.923 1.00 0.00 H new ATOM 0 HA GLU A 101 29.516 12.611 14.633 1.00 0.00 H new ATOM 0 HB2 GLU A 101 26.761 13.328 13.600 1.00 0.00 H new ATOM 0 HB3 GLU A 101 27.507 13.793 15.116 1.00 0.00 H new ATOM 0 HG2 GLU A 101 28.256 14.783 12.346 1.00 0.00 H new ATOM 0 HG3 GLU A 101 27.446 15.697 13.604 1.00 0.00 H new ATOM 1593 N PHE A 102 27.179 10.677 13.319 1.00 0.00 N ATOM 1594 CA PHE A 102 26.455 9.425 13.502 1.00 0.00 C ATOM 1595 C PHE A 102 27.422 8.266 13.729 1.00 0.00 C ATOM 1596 O PHE A 102 27.232 7.453 14.634 1.00 0.00 O ATOM 1597 CB PHE A 102 25.574 9.137 12.284 1.00 0.00 C ATOM 1598 CG PHE A 102 24.783 7.866 12.404 1.00 0.00 C ATOM 1599 CD1 PHE A 102 25.314 6.661 11.971 1.00 0.00 C ATOM 1600 CD2 PHE A 102 23.509 7.876 12.948 1.00 0.00 C ATOM 1601 CE1 PHE A 102 24.589 5.489 12.079 1.00 0.00 C ATOM 1602 CE2 PHE A 102 22.780 6.707 13.059 1.00 0.00 C ATOM 1603 CZ PHE A 102 23.320 5.513 12.623 1.00 0.00 C ATOM 0 H PHE A 102 26.989 11.148 12.435 1.00 0.00 H new ATOM 0 HA PHE A 102 25.822 9.526 14.384 1.00 0.00 H new ATOM 0 HB2 PHE A 102 24.887 9.971 12.137 1.00 0.00 H new ATOM 0 HB3 PHE A 102 26.203 9.082 11.395 1.00 0.00 H new ATOM 0 HD1 PHE A 102 26.306 6.638 11.544 1.00 0.00 H new ATOM 0 HD2 PHE A 102 23.081 8.807 13.289 1.00 0.00 H new ATOM 0 HE1 PHE A 102 25.014 4.556 11.739 1.00 0.00 H new ATOM 0 HE2 PHE A 102 21.788 6.727 13.487 1.00 0.00 H new ATOM 0 HZ PHE A 102 22.751 4.599 12.707 1.00 0.00 H new ATOM 1613 N ARG A 103 28.459 8.198 12.901 1.00 0.00 N ATOM 1614 CA ARG A 103 29.455 7.138 13.009 1.00 0.00 C ATOM 1615 C ARG A 103 30.333 7.341 14.241 1.00 0.00 C ATOM 1616 O ARG A 103 30.818 6.379 14.835 1.00 0.00 O ATOM 1617 CB ARG A 103 30.324 7.096 11.751 1.00 0.00 C ATOM 1618 CG ARG A 103 29.635 6.461 10.555 1.00 0.00 C ATOM 1619 CD ARG A 103 29.776 4.947 10.569 1.00 0.00 C ATOM 1620 NE ARG A 103 31.018 4.507 9.939 1.00 0.00 N ATOM 1621 CZ ARG A 103 31.560 3.311 10.139 1.00 0.00 C ATOM 1622 NH1 ARG A 103 30.972 2.440 10.947 1.00 0.00 N ATOM 1623 NH2 ARG A 103 32.692 2.984 9.529 1.00 0.00 N ATOM 0 H ARG A 103 28.632 8.864 12.148 1.00 0.00 H new ATOM 0 HA ARG A 103 28.930 6.188 13.111 1.00 0.00 H new ATOM 0 HB2 ARG A 103 30.621 8.112 11.491 1.00 0.00 H new ATOM 0 HB3 ARG A 103 31.237 6.543 11.969 1.00 0.00 H new ATOM 0 HG2 ARG A 103 28.578 6.729 10.558 1.00 0.00 H new ATOM 0 HG3 ARG A 103 30.062 6.859 9.634 1.00 0.00 H new ATOM 0 HD2 ARG A 103 29.745 4.590 11.598 1.00 0.00 H new ATOM 0 HD3 ARG A 103 28.928 4.499 10.051 1.00 0.00 H new ATOM 0 HE ARG A 103 31.495 5.154 9.311 1.00 0.00 H new ATOM 0 HH11 ARG A 103 30.101 2.688 11.417 1.00 0.00 H new ATOM 0 HH12 ARG A 103 31.390 1.522 11.099 1.00 0.00 H new ATOM 0 HH21 ARG A 103 33.147 3.651 8.906 1.00 0.00 H new ATOM 0 HH22 ARG A 103 33.107 2.065 9.683 1.00 0.00 H new ATOM 1637 N ALA A 104 30.532 8.600 14.618 1.00 0.00 N ATOM 1638 CA ALA A 104 31.350 8.929 15.779 1.00 0.00 C ATOM 1639 C ALA A 104 30.751 8.347 17.055 1.00 0.00 C ATOM 1640 O ALA A 104 31.466 8.069 18.016 1.00 0.00 O ATOM 1641 CB ALA A 104 31.503 10.438 15.906 1.00 0.00 C ATOM 0 H ALA A 104 30.138 9.408 14.137 1.00 0.00 H new ATOM 0 HA ALA A 104 32.335 8.485 15.636 1.00 0.00 H new ATOM 0 HB1 ALA A 104 32.116 10.670 16.777 1.00 0.00 H new ATOM 0 HB2 ALA A 104 31.982 10.832 15.010 1.00 0.00 H new ATOM 0 HB3 ALA A 104 30.520 10.895 16.022 1.00 0.00 H new ATOM 1647 N GLY A 105 29.434 8.166 17.056 1.00 0.00 N ATOM 1648 CA GLY A 105 28.761 7.619 18.220 1.00 0.00 C ATOM 1649 C GLY A 105 28.478 8.670 19.274 1.00 0.00 C ATOM 1650 O GLY A 105 28.117 8.344 20.405 1.00 0.00 O ATOM 0 H GLY A 105 28.821 8.388 16.272 1.00 0.00 H new ATOM 0 HA2 GLY A 105 27.823 7.158 17.910 1.00 0.00 H new ATOM 0 HA3 GLY A 105 29.376 6.830 18.654 1.00 0.00 H new ATOM 1654 N CYS A 106 28.643 9.935 18.904 1.00 0.00 N ATOM 1655 CA CYS A 106 28.405 11.039 19.827 1.00 0.00 C ATOM 1656 C CYS A 106 26.927 11.416 19.854 1.00 0.00 C ATOM 1657 O CYS A 106 26.323 11.669 18.813 1.00 0.00 O ATOM 1658 CB CYS A 106 29.246 12.253 19.431 1.00 0.00 C ATOM 1659 SG CYS A 106 29.404 13.498 20.733 1.00 0.00 S ATOM 0 H CYS A 106 28.941 10.222 17.971 1.00 0.00 H new ATOM 0 HA CYS A 106 28.697 10.714 20.826 1.00 0.00 H new ATOM 0 HB2 CYS A 106 30.242 11.914 19.145 1.00 0.00 H new ATOM 0 HB3 CYS A 106 28.802 12.718 18.551 1.00 0.00 H new ATOM 0 HG CYS A 106 30.134 14.484 20.304 1.00 0.00 H new