USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 952 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 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 66 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 35 GLN : amide:sc= 0.0908 K(o=0.2,f=-0.49) USER MOD Set 2.2: A 52 THR OG1 : rot 156:sc= 0.105 USER MOD Set 3.1: A 43 HIS : no HE2:sc= -0.147 X(o=-2.4,f=-2.7) USER MOD Set 3.2: A 106 GLN : amide:sc= -2.27 K(o=-2.4,f=-4.8!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.0641 K(o=-0.064,f=-1.8!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -67:sc= 0.465 USER MOD Single : A 18 ASN : amide:sc= -0.262 X(o=-0.26,f=-0.47) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0.0635 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0.395 USER MOD Single : A 41 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 119:sc= -2.76! USER MOD Single : A 49 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.03) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.509 USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 70 ASN : amide:sc= 0.0347 K(o=0.035,f=-7.3!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0528 USER MOD Single : A 82 THR OG1 : rot 180:sc=-0.00653 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.0956 X(o=-0.096,f=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl -137:sc= -1.57 (180deg=-5.28!) USER MOD Single : A 103 GLN : amide:sc= -0.0119 K(o=-0.012,f=-0.55) USER MOD Single : A 104 SER OG : rot 180:sc=0.000437 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 117 HIS : no HD1:sc= -0.223 K(o=-0.22,f=-1.9) USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 119 HIS : no HD1:sc= -0.381 X(o=-0.38,f=-0.1) USER MOD Single : A 120 HIS : no HD1:sc= -0.0183 X(o=-0.018,f=0) USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 122 HIS : no HD1:sc= 0 X(o=0,f=-0.025) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.232 -92.037 -28.730 1.00 0.00 N ATOM 2 CA MET A 1 -8.958 -90.789 -27.959 1.00 0.00 C ATOM 3 C MET A 1 -8.761 -91.115 -26.476 1.00 0.00 C ATOM 4 O MET A 1 -9.540 -90.711 -25.634 1.00 0.00 O ATOM 5 CB MET A 1 -10.199 -89.916 -28.161 1.00 0.00 C ATOM 6 CG MET A 1 -10.008 -88.580 -27.444 1.00 0.00 C ATOM 7 SD MET A 1 -10.969 -87.300 -28.288 1.00 0.00 S ATOM 8 CE MET A 1 -9.570 -86.384 -28.980 1.00 0.00 C ATOM 0 H1 MET A 1 -9.364 -91.803 -29.735 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.429 -92.691 -28.629 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.094 -92.489 -28.364 1.00 0.00 H new ATOM 0 HA MET A 1 -8.050 -90.287 -28.294 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.369 -89.748 -29.225 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.081 -90.425 -27.774 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.327 -88.664 -26.405 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.952 -88.309 -27.432 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.940 -85.533 -29.552 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.932 -86.028 -28.171 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.994 -87.039 -29.634 1.00 0.00 H new ATOM 17 N GLU A 2 -7.724 -91.841 -26.153 1.00 0.00 N ATOM 18 CA GLU A 2 -7.475 -92.195 -24.724 1.00 0.00 C ATOM 19 C GLU A 2 -6.192 -91.515 -24.228 1.00 0.00 C ATOM 20 O GLU A 2 -5.350 -92.134 -23.609 1.00 0.00 O ATOM 21 CB GLU A 2 -7.316 -93.719 -24.715 1.00 0.00 C ATOM 22 CG GLU A 2 -8.331 -94.335 -23.749 1.00 0.00 C ATOM 23 CD GLU A 2 -9.598 -94.715 -24.517 1.00 0.00 C ATOM 24 OE1 GLU A 2 -10.272 -93.816 -24.992 1.00 0.00 O ATOM 25 OE2 GLU A 2 -9.874 -95.899 -24.617 1.00 0.00 O ATOM 0 H GLU A 2 -7.039 -92.204 -26.816 1.00 0.00 H new ATOM 0 HA GLU A 2 -8.282 -91.867 -24.069 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.466 -94.116 -25.719 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.303 -93.987 -24.414 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.905 -95.216 -23.270 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.572 -93.626 -22.957 1.00 0.00 H new ATOM 32 N TYR A 3 -6.041 -90.245 -24.500 1.00 0.00 N ATOM 33 CA TYR A 3 -4.815 -89.525 -24.048 1.00 0.00 C ATOM 34 C TYR A 3 -4.929 -89.162 -22.564 1.00 0.00 C ATOM 35 O TYR A 3 -3.938 -88.972 -21.887 1.00 0.00 O ATOM 36 CB TYR A 3 -4.759 -88.258 -24.905 1.00 0.00 C ATOM 37 CG TYR A 3 -4.656 -88.637 -26.364 1.00 0.00 C ATOM 38 CD1 TYR A 3 -3.580 -89.411 -26.813 1.00 0.00 C ATOM 39 CD2 TYR A 3 -5.639 -88.215 -27.266 1.00 0.00 C ATOM 40 CE1 TYR A 3 -3.485 -89.761 -28.164 1.00 0.00 C ATOM 41 CE2 TYR A 3 -5.545 -88.564 -28.618 1.00 0.00 C ATOM 42 CZ TYR A 3 -4.467 -89.338 -29.068 1.00 0.00 C ATOM 43 OH TYR A 3 -4.375 -89.684 -30.401 1.00 0.00 O ATOM 0 H TYR A 3 -6.713 -89.676 -25.015 1.00 0.00 H new ATOM 0 HA TYR A 3 -3.917 -90.133 -24.159 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -5.651 -87.654 -24.738 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -3.903 -87.649 -24.616 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -2.823 -89.738 -26.116 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -6.471 -87.620 -26.919 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -2.654 -90.358 -28.510 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -6.303 -88.237 -29.314 1.00 0.00 H new ATOM 0 HH TYR A 3 -5.138 -89.310 -30.889 1.00 0.00 H new ATOM 53 N LEU A 4 -6.128 -89.063 -22.055 1.00 0.00 N ATOM 54 CA LEU A 4 -6.303 -88.711 -20.615 1.00 0.00 C ATOM 55 C LEU A 4 -5.631 -89.759 -19.725 1.00 0.00 C ATOM 56 O LEU A 4 -6.132 -90.853 -19.548 1.00 0.00 O ATOM 57 CB LEU A 4 -7.817 -88.707 -20.387 1.00 0.00 C ATOM 58 CG LEU A 4 -8.450 -87.575 -21.197 1.00 0.00 C ATOM 59 CD1 LEU A 4 -9.932 -87.880 -21.427 1.00 0.00 C ATOM 60 CD2 LEU A 4 -8.315 -86.259 -20.429 1.00 0.00 C ATOM 0 H LEU A 4 -6.994 -89.211 -22.574 1.00 0.00 H new ATOM 0 HA LEU A 4 -5.850 -87.750 -20.370 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.243 -89.665 -20.685 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.036 -88.577 -19.327 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.942 -87.489 -22.158 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.384 -87.074 -22.004 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.030 -88.817 -21.975 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.439 -87.967 -20.466 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.766 -85.453 -21.007 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.822 -86.345 -19.468 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -7.260 -86.041 -20.264 1.00 0.00 H new ATOM 72 N SER A 5 -4.497 -89.433 -19.163 1.00 0.00 N ATOM 73 CA SER A 5 -3.789 -90.407 -18.284 1.00 0.00 C ATOM 74 C SER A 5 -3.752 -89.891 -16.842 1.00 0.00 C ATOM 75 O SER A 5 -3.881 -90.645 -15.900 1.00 0.00 O ATOM 76 CB SER A 5 -2.375 -90.499 -18.856 1.00 0.00 C ATOM 77 OG SER A 5 -2.277 -91.653 -19.680 1.00 0.00 O ATOM 0 H SER A 5 -4.031 -88.533 -19.275 1.00 0.00 H new ATOM 0 HA SER A 5 -4.284 -91.378 -18.260 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.145 -89.604 -19.434 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.646 -90.552 -18.048 1.00 0.00 H new ATOM 0 HG SER A 5 -1.372 -91.715 -20.050 1.00 0.00 H new ATOM 83 N ALA A 6 -3.580 -88.607 -16.669 1.00 0.00 N ATOM 84 CA ALA A 6 -3.534 -88.038 -15.291 1.00 0.00 C ATOM 85 C ALA A 6 -4.940 -87.579 -14.865 1.00 0.00 C ATOM 86 O ALA A 6 -5.912 -88.280 -15.072 1.00 0.00 O ATOM 87 CB ALA A 6 -2.571 -86.853 -15.393 1.00 0.00 C ATOM 0 H ALA A 6 -3.469 -87.928 -17.422 1.00 0.00 H new ATOM 0 HA ALA A 6 -3.204 -88.761 -14.545 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -2.479 -86.374 -14.418 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -1.592 -87.206 -15.718 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.955 -86.133 -16.116 1.00 0.00 H new ATOM 93 N LEU A 7 -5.059 -86.415 -14.276 1.00 0.00 N ATOM 94 CA LEU A 7 -6.402 -85.930 -13.848 1.00 0.00 C ATOM 95 C LEU A 7 -7.044 -85.096 -14.960 1.00 0.00 C ATOM 96 O LEU A 7 -8.069 -85.456 -15.507 1.00 0.00 O ATOM 97 CB LEU A 7 -6.136 -85.067 -12.615 1.00 0.00 C ATOM 98 CG LEU A 7 -7.464 -84.707 -11.944 1.00 0.00 C ATOM 99 CD1 LEU A 7 -8.068 -85.957 -11.299 1.00 0.00 C ATOM 100 CD2 LEU A 7 -7.219 -83.647 -10.868 1.00 0.00 C ATOM 0 H LEU A 7 -4.284 -85.783 -14.074 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.087 -86.750 -13.632 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.497 -85.604 -11.914 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.604 -84.160 -12.901 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.154 -84.316 -12.692 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.013 -85.699 -10.822 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -8.242 -86.713 -12.064 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.379 -86.350 -10.551 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.164 -83.389 -10.389 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.529 -84.039 -10.121 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.790 -82.756 -11.326 1.00 0.00 H new ATOM 112 N ASN A 8 -6.449 -83.983 -15.299 1.00 0.00 N ATOM 113 CA ASN A 8 -7.023 -83.124 -16.378 1.00 0.00 C ATOM 114 C ASN A 8 -6.035 -83.013 -17.546 1.00 0.00 C ATOM 115 O ASN A 8 -4.838 -82.988 -17.341 1.00 0.00 O ATOM 116 CB ASN A 8 -7.235 -81.758 -15.725 1.00 0.00 C ATOM 117 CG ASN A 8 -8.514 -81.785 -14.886 1.00 0.00 C ATOM 118 OD1 ASN A 8 -9.429 -82.529 -15.176 1.00 0.00 O ATOM 119 ND2 ASN A 8 -8.615 -80.998 -13.849 1.00 0.00 N ATOM 0 H ASN A 8 -5.590 -83.631 -14.876 1.00 0.00 H new ATOM 0 HA ASN A 8 -7.950 -83.531 -16.782 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -6.381 -81.507 -15.096 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -7.306 -80.985 -16.490 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -9.463 -81.008 -13.282 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -7.846 -80.373 -13.606 1.00 0.00 H new ATOM 126 N PRO A 9 -6.569 -82.949 -18.741 1.00 0.00 N ATOM 127 CA PRO A 9 -5.710 -82.838 -19.946 1.00 0.00 C ATOM 128 C PRO A 9 -5.118 -81.430 -20.055 1.00 0.00 C ATOM 129 O PRO A 9 -4.007 -81.248 -20.511 1.00 0.00 O ATOM 130 CB PRO A 9 -6.673 -83.111 -21.099 1.00 0.00 C ATOM 131 CG PRO A 9 -8.023 -82.744 -20.573 1.00 0.00 C ATOM 132 CD PRO A 9 -7.998 -82.972 -19.083 1.00 0.00 C ATOM 0 HA PRO A 9 -4.863 -83.524 -19.931 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.417 -82.517 -21.976 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -6.639 -84.158 -21.402 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.254 -81.703 -20.799 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -8.797 -83.351 -21.042 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -8.548 -82.195 -18.552 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.456 -83.925 -18.818 1.00 0.00 H new ATOM 140 N SER A 10 -5.854 -80.435 -19.638 1.00 0.00 N ATOM 141 CA SER A 10 -5.335 -79.037 -19.716 1.00 0.00 C ATOM 142 C SER A 10 -4.180 -78.845 -18.729 1.00 0.00 C ATOM 143 O SER A 10 -3.969 -79.647 -17.840 1.00 0.00 O ATOM 144 CB SER A 10 -6.519 -78.152 -19.333 1.00 0.00 C ATOM 145 OG SER A 10 -6.463 -76.943 -20.079 1.00 0.00 O ATOM 0 H SER A 10 -6.791 -80.529 -19.247 1.00 0.00 H new ATOM 0 HA SER A 10 -4.950 -78.795 -20.707 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.456 -78.672 -19.532 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.495 -77.935 -18.265 1.00 0.00 H new ATOM 0 HG SER A 10 -7.223 -76.374 -19.837 1.00 0.00 H new ATOM 151 N ASP A 11 -3.430 -77.785 -18.882 1.00 0.00 N ATOM 152 CA ASP A 11 -2.286 -77.538 -17.956 1.00 0.00 C ATOM 153 C ASP A 11 -1.757 -76.112 -18.141 1.00 0.00 C ATOM 154 O ASP A 11 -0.813 -75.880 -18.871 1.00 0.00 O ATOM 155 CB ASP A 11 -1.224 -78.559 -18.357 1.00 0.00 C ATOM 156 CG ASP A 11 -0.400 -78.946 -17.128 1.00 0.00 C ATOM 157 OD1 ASP A 11 -0.989 -79.406 -16.164 1.00 0.00 O ATOM 158 OD2 ASP A 11 0.808 -78.776 -17.171 1.00 0.00 O ATOM 0 H ASP A 11 -3.560 -77.080 -19.608 1.00 0.00 H new ATOM 0 HA ASP A 11 -2.572 -77.639 -16.909 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.697 -79.443 -18.784 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -0.575 -78.141 -19.127 1.00 0.00 H new ATOM 163 N LEU A 12 -2.359 -75.156 -17.481 1.00 0.00 N ATOM 164 CA LEU A 12 -1.891 -73.747 -17.617 1.00 0.00 C ATOM 165 C LEU A 12 -1.533 -73.173 -16.245 1.00 0.00 C ATOM 166 O LEU A 12 -2.005 -73.637 -15.226 1.00 0.00 O ATOM 167 CB LEU A 12 -3.074 -72.995 -18.226 1.00 0.00 C ATOM 168 CG LEU A 12 -3.374 -73.554 -19.616 1.00 0.00 C ATOM 169 CD1 LEU A 12 -4.870 -73.425 -19.910 1.00 0.00 C ATOM 170 CD2 LEU A 12 -2.581 -72.769 -20.665 1.00 0.00 C ATOM 0 H LEU A 12 -3.153 -75.291 -16.855 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.997 -73.666 -18.235 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.950 -73.095 -17.586 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.847 -71.931 -18.292 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.086 -74.605 -19.652 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.082 -73.824 -20.902 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.437 -73.984 -19.165 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.159 -72.375 -19.873 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.795 -73.168 -21.657 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.868 -71.718 -20.627 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.515 -72.861 -20.459 1.00 0.00 H new ATOM 182 N LEU A 13 -0.700 -72.167 -16.213 1.00 0.00 N ATOM 183 CA LEU A 13 -0.306 -71.562 -14.909 1.00 0.00 C ATOM 184 C LEU A 13 -0.191 -70.041 -15.046 1.00 0.00 C ATOM 185 O LEU A 13 0.893 -69.488 -15.044 1.00 0.00 O ATOM 186 CB LEU A 13 1.055 -72.178 -14.584 1.00 0.00 C ATOM 187 CG LEU A 13 0.891 -73.677 -14.318 1.00 0.00 C ATOM 188 CD1 LEU A 13 1.191 -74.461 -15.597 1.00 0.00 C ATOM 189 CD2 LEU A 13 1.864 -74.109 -13.219 1.00 0.00 C ATOM 0 H LEU A 13 -0.275 -71.738 -17.035 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.038 -71.754 -14.124 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.745 -72.019 -15.413 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.488 -71.689 -13.711 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.132 -73.878 -14.000 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.074 -75.528 -15.406 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.500 -74.155 -16.382 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.214 -74.260 -15.916 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.748 -75.176 -13.029 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.886 -73.906 -13.538 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.652 -73.553 -12.306 1.00 0.00 H new ATOM 201 N ARG A 14 -1.300 -69.360 -15.166 1.00 0.00 N ATOM 202 CA ARG A 14 -1.256 -67.875 -15.305 1.00 0.00 C ATOM 203 C ARG A 14 -1.340 -67.211 -13.927 1.00 0.00 C ATOM 204 O ARG A 14 -1.820 -67.794 -12.975 1.00 0.00 O ATOM 205 CB ARG A 14 -2.481 -67.517 -16.152 1.00 0.00 C ATOM 206 CG ARG A 14 -2.030 -66.825 -17.441 1.00 0.00 C ATOM 207 CD ARG A 14 -3.076 -65.787 -17.855 1.00 0.00 C ATOM 208 NE ARG A 14 -2.857 -65.584 -19.314 1.00 0.00 N ATOM 209 CZ ARG A 14 -3.836 -65.169 -20.071 1.00 0.00 C ATOM 210 NH1 ARG A 14 -4.909 -65.898 -20.209 1.00 0.00 N ATOM 211 NH2 ARG A 14 -3.741 -64.025 -20.692 1.00 0.00 N ATOM 0 H ARG A 14 -2.235 -69.768 -15.174 1.00 0.00 H new ATOM 0 HA ARG A 14 -0.330 -67.531 -15.766 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -3.047 -68.418 -16.390 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -3.146 -66.862 -15.589 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.064 -66.343 -17.289 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.898 -67.561 -18.234 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -4.087 -66.142 -17.653 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -2.949 -64.856 -17.303 1.00 0.00 H new ATOM 0 HE ARG A 14 -1.941 -65.769 -19.722 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -4.983 -66.793 -19.725 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -5.674 -65.573 -20.801 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -2.902 -63.455 -20.586 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -4.506 -63.701 -21.284 1.00 0.00 H new ATOM 225 N SER A 15 -0.876 -65.995 -13.816 1.00 0.00 N ATOM 226 CA SER A 15 -0.927 -65.291 -12.500 1.00 0.00 C ATOM 227 C SER A 15 -1.884 -64.097 -12.572 1.00 0.00 C ATOM 228 O SER A 15 -1.807 -63.281 -13.469 1.00 0.00 O ATOM 229 CB SER A 15 0.503 -64.815 -12.251 1.00 0.00 C ATOM 230 OG SER A 15 1.218 -65.828 -11.552 1.00 0.00 O ATOM 0 H SER A 15 -0.464 -65.458 -14.579 1.00 0.00 H new ATOM 0 HA SER A 15 -1.288 -65.938 -11.701 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.995 -64.593 -13.198 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.496 -63.892 -11.671 1.00 0.00 H new ATOM 0 HG SER A 15 2.137 -65.528 -11.391 1.00 0.00 H new ATOM 236 N VAL A 16 -2.785 -63.991 -11.631 1.00 0.00 N ATOM 237 CA VAL A 16 -3.748 -62.852 -11.639 1.00 0.00 C ATOM 238 C VAL A 16 -3.654 -62.074 -10.323 1.00 0.00 C ATOM 239 O VAL A 16 -4.503 -62.188 -9.461 1.00 0.00 O ATOM 240 CB VAL A 16 -5.127 -63.500 -11.787 1.00 0.00 C ATOM 241 CG1 VAL A 16 -6.208 -62.418 -11.772 1.00 0.00 C ATOM 242 CG2 VAL A 16 -5.190 -64.262 -13.112 1.00 0.00 C ATOM 0 H VAL A 16 -2.895 -64.645 -10.856 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.545 -62.143 -12.441 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.294 -64.189 -10.959 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.189 -62.882 -11.878 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.164 -61.873 -10.829 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.043 -61.727 -12.599 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.171 -64.724 -13.220 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.022 -63.571 -13.938 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.421 -65.035 -13.124 1.00 0.00 H new ATOM 252 N SER A 17 -2.625 -61.284 -10.163 1.00 0.00 N ATOM 253 CA SER A 17 -2.471 -60.499 -8.903 1.00 0.00 C ATOM 254 C SER A 17 -1.507 -59.329 -9.122 1.00 0.00 C ATOM 255 O SER A 17 -0.395 -59.329 -8.629 1.00 0.00 O ATOM 256 CB SER A 17 -1.899 -61.486 -7.888 1.00 0.00 C ATOM 257 OG SER A 17 -1.570 -60.791 -6.692 1.00 0.00 O ATOM 0 H SER A 17 -1.884 -61.148 -10.851 1.00 0.00 H new ATOM 0 HA SER A 17 -3.415 -60.071 -8.565 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.625 -62.271 -7.678 1.00 0.00 H new ATOM 0 HB3 SER A 17 -1.013 -61.972 -8.296 1.00 0.00 H new ATOM 0 HG SER A 17 -0.822 -60.181 -6.863 1.00 0.00 H new ATOM 263 N ASN A 18 -1.924 -58.332 -9.855 1.00 0.00 N ATOM 264 CA ASN A 18 -1.033 -57.163 -10.104 1.00 0.00 C ATOM 265 C ASN A 18 -1.645 -55.894 -9.504 1.00 0.00 C ATOM 266 O ASN A 18 -2.848 -55.722 -9.494 1.00 0.00 O ATOM 267 CB ASN A 18 -0.936 -57.049 -11.628 1.00 0.00 C ATOM 268 CG ASN A 18 -2.331 -56.828 -12.219 1.00 0.00 C ATOM 269 OD1 ASN A 18 -3.021 -57.772 -12.546 1.00 0.00 O ATOM 270 ND2 ASN A 18 -2.776 -55.610 -12.371 1.00 0.00 N ATOM 0 H ASN A 18 -2.844 -58.277 -10.292 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.052 -57.288 -9.646 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -0.280 -56.222 -11.899 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.494 -57.955 -12.043 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -3.704 -55.451 -12.765 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.196 -54.817 -12.096 1.00 0.00 H new ATOM 277 N ILE A 19 -0.823 -55.005 -9.007 1.00 0.00 N ATOM 278 CA ILE A 19 -1.340 -53.738 -8.400 1.00 0.00 C ATOM 279 C ILE A 19 -0.175 -52.925 -7.825 1.00 0.00 C ATOM 280 O ILE A 19 -0.019 -52.810 -6.625 1.00 0.00 O ATOM 281 CB ILE A 19 -2.294 -54.171 -7.275 1.00 0.00 C ATOM 282 CG1 ILE A 19 -2.827 -52.928 -6.552 1.00 0.00 C ATOM 283 CG2 ILE A 19 -1.548 -55.057 -6.275 1.00 0.00 C ATOM 284 CD1 ILE A 19 -4.221 -53.220 -5.998 1.00 0.00 C ATOM 0 H ILE A 19 0.192 -55.102 -8.995 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.848 -53.113 -9.134 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.125 -54.731 -7.704 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.153 -52.648 -5.742 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.867 -52.083 -7.240 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.229 -55.361 -5.480 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.168 -55.942 -6.786 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.715 -54.500 -5.846 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.601 -52.337 -5.484 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.891 -53.479 -6.818 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.167 -54.053 -5.297 1.00 0.00 H new ATOM 296 N SER A 20 0.643 -52.363 -8.674 1.00 0.00 N ATOM 297 CA SER A 20 1.799 -51.559 -8.179 1.00 0.00 C ATOM 298 C SER A 20 1.357 -50.119 -7.896 1.00 0.00 C ATOM 299 O SER A 20 1.864 -49.179 -8.478 1.00 0.00 O ATOM 300 CB SER A 20 2.819 -51.595 -9.316 1.00 0.00 C ATOM 301 OG SER A 20 4.130 -51.614 -8.767 1.00 0.00 O ATOM 0 H SER A 20 0.561 -52.426 -9.689 1.00 0.00 H new ATOM 0 HA SER A 20 2.211 -51.952 -7.250 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.659 -52.477 -9.937 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.694 -50.725 -9.960 1.00 0.00 H new ATOM 0 HG SER A 20 4.788 -51.639 -9.493 1.00 0.00 H new ATOM 307 N SER A 21 0.419 -49.943 -7.004 1.00 0.00 N ATOM 308 CA SER A 21 -0.053 -48.565 -6.679 1.00 0.00 C ATOM 309 C SER A 21 0.879 -47.916 -5.654 1.00 0.00 C ATOM 310 O SER A 21 1.343 -48.557 -4.733 1.00 0.00 O ATOM 311 CB SER A 21 -1.450 -48.755 -6.089 1.00 0.00 C ATOM 312 OG SER A 21 -1.417 -49.807 -5.132 1.00 0.00 O ATOM 0 H SER A 21 -0.040 -50.693 -6.487 1.00 0.00 H new ATOM 0 HA SER A 21 -0.065 -47.915 -7.554 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.788 -47.831 -5.619 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.163 -48.990 -6.880 1.00 0.00 H new ATOM 0 HG SER A 21 -2.311 -49.930 -4.750 1.00 0.00 H new ATOM 318 N GLU A 22 1.155 -46.648 -5.808 1.00 0.00 N ATOM 319 CA GLU A 22 2.059 -45.958 -4.842 1.00 0.00 C ATOM 320 C GLU A 22 1.651 -44.490 -4.684 1.00 0.00 C ATOM 321 O GLU A 22 0.726 -44.023 -5.318 1.00 0.00 O ATOM 322 CB GLU A 22 3.453 -46.064 -5.462 1.00 0.00 C ATOM 323 CG GLU A 22 4.172 -47.292 -4.901 1.00 0.00 C ATOM 324 CD GLU A 22 3.958 -48.482 -5.839 1.00 0.00 C ATOM 325 OE1 GLU A 22 4.108 -48.301 -7.035 1.00 0.00 O ATOM 326 OE2 GLU A 22 3.648 -49.553 -5.343 1.00 0.00 O ATOM 0 H GLU A 22 0.794 -46.061 -6.560 1.00 0.00 H new ATOM 0 HA GLU A 22 2.018 -46.404 -3.848 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.375 -46.140 -6.547 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.028 -45.163 -5.246 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.237 -47.086 -4.795 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.792 -47.526 -3.907 1.00 0.00 H new ATOM 333 N PHE A 23 2.337 -43.764 -3.842 1.00 0.00 N ATOM 334 CA PHE A 23 1.995 -42.326 -3.637 1.00 0.00 C ATOM 335 C PHE A 23 3.268 -41.512 -3.398 1.00 0.00 C ATOM 336 O PHE A 23 4.168 -41.942 -2.700 1.00 0.00 O ATOM 337 CB PHE A 23 1.103 -42.305 -2.396 1.00 0.00 C ATOM 338 CG PHE A 23 -0.343 -42.167 -2.811 1.00 0.00 C ATOM 339 CD1 PHE A 23 -0.742 -41.089 -3.603 1.00 0.00 C ATOM 340 CD2 PHE A 23 -1.279 -43.119 -2.403 1.00 0.00 C ATOM 341 CE1 PHE A 23 -2.080 -40.956 -3.990 1.00 0.00 C ATOM 342 CE2 PHE A 23 -2.621 -42.996 -2.786 1.00 0.00 C ATOM 343 CZ PHE A 23 -3.036 -41.911 -3.584 1.00 0.00 C ATOM 0 H PHE A 23 3.121 -44.105 -3.286 1.00 0.00 H new ATOM 0 HA PHE A 23 1.497 -41.890 -4.503 1.00 0.00 H new ATOM 0 HB2 PHE A 23 1.241 -43.221 -1.822 1.00 0.00 H new ATOM 0 HB3 PHE A 23 1.386 -41.476 -1.747 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -0.015 -40.355 -3.918 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.968 -43.952 -1.791 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -2.382 -40.119 -4.602 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -3.341 -43.736 -2.468 1.00 0.00 H new ATOM 0 HZ PHE A 23 -4.070 -41.812 -3.880 1.00 0.00 H new ATOM 353 N GLY A 24 3.353 -40.341 -3.972 1.00 0.00 N ATOM 354 CA GLY A 24 4.569 -39.500 -3.776 1.00 0.00 C ATOM 355 C GLY A 24 4.188 -38.022 -3.873 1.00 0.00 C ATOM 356 O GLY A 24 3.903 -37.513 -4.940 1.00 0.00 O ATOM 0 H GLY A 24 2.633 -39.931 -4.567 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.015 -39.708 -2.804 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.318 -39.744 -4.529 1.00 0.00 H new ATOM 360 N ARG A 25 4.182 -37.330 -2.765 1.00 0.00 N ATOM 361 CA ARG A 25 3.820 -35.882 -2.789 1.00 0.00 C ATOM 362 C ARG A 25 5.031 -35.026 -2.403 1.00 0.00 C ATOM 363 O ARG A 25 5.253 -34.738 -1.244 1.00 0.00 O ATOM 364 CB ARG A 25 2.708 -35.737 -1.749 1.00 0.00 C ATOM 365 CG ARG A 25 1.374 -36.175 -2.360 1.00 0.00 C ATOM 366 CD ARG A 25 0.531 -36.877 -1.293 1.00 0.00 C ATOM 367 NE ARG A 25 -0.791 -37.112 -1.940 1.00 0.00 N ATOM 368 CZ ARG A 25 -1.820 -37.456 -1.216 1.00 0.00 C ATOM 369 NH1 ARG A 25 -1.716 -38.434 -0.357 1.00 0.00 N ATOM 370 NH2 ARG A 25 -2.953 -36.822 -1.349 1.00 0.00 N ATOM 0 H ARG A 25 4.412 -37.704 -1.844 1.00 0.00 H new ATOM 0 HA ARG A 25 3.501 -35.552 -3.778 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.935 -36.344 -0.872 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.643 -34.702 -1.413 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.839 -35.309 -2.750 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.550 -36.847 -3.200 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.990 -37.815 -0.981 1.00 0.00 H new ATOM 0 HD3 ARG A 25 0.430 -36.259 -0.401 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.891 -37.004 -2.949 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.830 -38.929 -0.252 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.521 -38.703 0.209 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.034 -36.057 -2.019 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.758 -37.091 -0.783 1.00 0.00 H new ATOM 384 N ARG A 26 5.812 -34.620 -3.368 1.00 0.00 N ATOM 385 CA ARG A 26 7.010 -33.784 -3.059 1.00 0.00 C ATOM 386 C ARG A 26 6.726 -32.315 -3.382 1.00 0.00 C ATOM 387 O ARG A 26 6.482 -31.955 -4.515 1.00 0.00 O ATOM 388 CB ARG A 26 8.120 -34.328 -3.962 1.00 0.00 C ATOM 389 CG ARG A 26 8.433 -35.778 -3.574 1.00 0.00 C ATOM 390 CD ARG A 26 9.939 -35.938 -3.335 1.00 0.00 C ATOM 391 NE ARG A 26 10.053 -36.479 -1.952 1.00 0.00 N ATOM 392 CZ ARG A 26 10.217 -35.667 -0.945 1.00 0.00 C ATOM 393 NH1 ARG A 26 11.292 -34.932 -0.867 1.00 0.00 N ATOM 394 NH2 ARG A 26 9.305 -35.589 -0.015 1.00 0.00 N ATOM 0 H ARG A 26 5.673 -34.830 -4.356 1.00 0.00 H new ATOM 0 HA ARG A 26 7.285 -33.830 -2.005 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.810 -34.279 -5.006 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.015 -33.714 -3.866 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.882 -36.050 -2.674 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.107 -36.454 -4.364 1.00 0.00 H new ATOM 0 HD2 ARG A 26 10.384 -36.617 -4.062 1.00 0.00 H new ATOM 0 HD3 ARG A 26 10.458 -34.984 -3.430 1.00 0.00 H new ATOM 0 HE ARG A 26 10.003 -37.485 -1.793 1.00 0.00 H new ATOM 0 HH11 ARG A 26 12.005 -34.992 -1.594 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.420 -34.297 -0.079 1.00 0.00 H new ATOM 0 HH21 ARG A 26 8.464 -36.163 -0.076 1.00 0.00 H new ATOM 0 HH22 ARG A 26 9.433 -34.954 0.773 1.00 0.00 H new ATOM 408 N VAL A 27 6.757 -31.463 -2.391 1.00 0.00 N ATOM 409 CA VAL A 27 6.489 -30.016 -2.637 1.00 0.00 C ATOM 410 C VAL A 27 7.681 -29.173 -2.172 1.00 0.00 C ATOM 411 O VAL A 27 8.298 -29.460 -1.165 1.00 0.00 O ATOM 412 CB VAL A 27 5.247 -29.692 -1.806 1.00 0.00 C ATOM 413 CG1 VAL A 27 4.848 -28.232 -2.029 1.00 0.00 C ATOM 414 CG2 VAL A 27 4.093 -30.603 -2.234 1.00 0.00 C ATOM 0 H VAL A 27 6.957 -31.707 -1.421 1.00 0.00 H new ATOM 0 HA VAL A 27 6.337 -29.799 -3.694 1.00 0.00 H new ATOM 0 HB VAL A 27 5.467 -29.853 -0.751 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.963 -28.002 -1.436 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.667 -27.580 -1.725 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.629 -28.072 -3.085 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.208 -30.372 -1.641 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.875 -30.442 -3.290 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.374 -31.644 -2.076 1.00 0.00 H new ATOM 424 N TRP A 28 8.006 -28.137 -2.897 1.00 0.00 N ATOM 425 CA TRP A 28 9.156 -27.275 -2.497 1.00 0.00 C ATOM 426 C TRP A 28 8.918 -25.831 -2.943 1.00 0.00 C ATOM 427 O TRP A 28 7.834 -25.469 -3.353 1.00 0.00 O ATOM 428 CB TRP A 28 10.365 -27.872 -3.220 1.00 0.00 C ATOM 429 CG TRP A 28 10.709 -29.191 -2.609 1.00 0.00 C ATOM 430 CD1 TRP A 28 10.288 -30.393 -3.068 1.00 0.00 C ATOM 431 CD2 TRP A 28 11.533 -29.465 -1.440 1.00 0.00 C ATOM 432 NE1 TRP A 28 10.802 -31.386 -2.254 1.00 0.00 N ATOM 433 CE2 TRP A 28 11.578 -30.865 -1.236 1.00 0.00 C ATOM 434 CE3 TRP A 28 12.243 -28.644 -0.545 1.00 0.00 C ATOM 435 CZ2 TRP A 28 12.297 -31.430 -0.184 1.00 0.00 C ATOM 436 CZ3 TRP A 28 12.970 -29.208 0.516 1.00 0.00 C ATOM 437 CH2 TRP A 28 12.996 -30.598 0.696 1.00 0.00 C ATOM 0 H TRP A 28 7.525 -27.850 -3.749 1.00 0.00 H new ATOM 0 HA TRP A 28 9.299 -27.250 -1.417 1.00 0.00 H new ATOM 0 HB2 TRP A 28 10.143 -27.997 -4.280 1.00 0.00 H new ATOM 0 HB3 TRP A 28 11.215 -27.194 -3.150 1.00 0.00 H new ATOM 0 HD1 TRP A 28 9.655 -30.551 -3.929 1.00 0.00 H new ATOM 0 HE1 TRP A 28 10.629 -32.382 -2.389 1.00 0.00 H new ATOM 0 HE3 TRP A 28 12.229 -27.572 -0.675 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 12.314 -32.501 -0.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 13.512 -28.568 1.197 1.00 0.00 H new ATOM 0 HH2 TRP A 28 13.556 -31.026 1.514 1.00 0.00 H new ATOM 448 N THR A 29 9.927 -25.003 -2.865 1.00 0.00 N ATOM 449 CA THR A 29 9.760 -23.579 -3.284 1.00 0.00 C ATOM 450 C THR A 29 11.127 -22.895 -3.389 1.00 0.00 C ATOM 451 O THR A 29 12.077 -23.281 -2.737 1.00 0.00 O ATOM 452 CB THR A 29 8.920 -22.936 -2.176 1.00 0.00 C ATOM 453 OG1 THR A 29 8.735 -21.557 -2.466 1.00 0.00 O ATOM 454 CG2 THR A 29 9.633 -23.085 -0.830 1.00 0.00 C ATOM 0 H THR A 29 10.858 -25.250 -2.530 1.00 0.00 H new ATOM 0 HA THR A 29 9.284 -23.488 -4.260 1.00 0.00 H new ATOM 0 HB THR A 29 7.951 -23.433 -2.124 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.196 -21.144 -1.759 1.00 0.00 H new ATOM 0 HG21 THR A 29 9.031 -22.626 -0.046 1.00 0.00 H new ATOM 0 HG22 THR A 29 9.773 -24.143 -0.607 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.604 -22.593 -0.876 1.00 0.00 H new ATOM 462 N SER A 30 11.231 -21.879 -4.204 1.00 0.00 N ATOM 463 CA SER A 30 12.533 -21.168 -4.352 1.00 0.00 C ATOM 464 C SER A 30 12.683 -20.109 -3.256 1.00 0.00 C ATOM 465 O SER A 30 12.096 -20.212 -2.197 1.00 0.00 O ATOM 466 CB SER A 30 12.472 -20.513 -5.732 1.00 0.00 C ATOM 467 OG SER A 30 13.758 -20.010 -6.070 1.00 0.00 O ATOM 0 H SER A 30 10.469 -21.511 -4.774 1.00 0.00 H new ATOM 0 HA SER A 30 13.386 -21.841 -4.260 1.00 0.00 H new ATOM 0 HB2 SER A 30 12.145 -21.238 -6.477 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.741 -19.704 -5.732 1.00 0.00 H new ATOM 0 HG SER A 30 13.723 -19.591 -6.955 1.00 0.00 H new ATOM 473 N ALA A 31 13.464 -19.089 -3.502 1.00 0.00 N ATOM 474 CA ALA A 31 13.651 -18.025 -2.476 1.00 0.00 C ATOM 475 C ALA A 31 13.190 -16.670 -3.027 1.00 0.00 C ATOM 476 O ALA A 31 13.999 -15.806 -3.302 1.00 0.00 O ATOM 477 CB ALA A 31 15.152 -18.008 -2.190 1.00 0.00 C ATOM 0 H ALA A 31 13.980 -18.949 -4.371 1.00 0.00 H new ATOM 0 HA ALA A 31 13.068 -18.214 -1.574 1.00 0.00 H new ATOM 0 HB1 ALA A 31 15.371 -17.247 -1.441 1.00 0.00 H new ATOM 0 HB2 ALA A 31 15.462 -18.984 -1.817 1.00 0.00 H new ATOM 0 HB3 ALA A 31 15.695 -17.781 -3.108 1.00 0.00 H new ATOM 483 N PRO A 32 11.897 -16.527 -3.172 1.00 0.00 N ATOM 484 CA PRO A 32 11.326 -15.261 -3.697 1.00 0.00 C ATOM 485 C PRO A 32 11.408 -14.157 -2.636 1.00 0.00 C ATOM 486 O PRO A 32 11.734 -14.421 -1.495 1.00 0.00 O ATOM 487 CB PRO A 32 9.874 -15.618 -3.998 1.00 0.00 C ATOM 488 CG PRO A 32 9.562 -16.772 -3.099 1.00 0.00 C ATOM 489 CD PRO A 32 10.852 -17.515 -2.866 1.00 0.00 C ATOM 0 HA PRO A 32 11.856 -14.883 -4.571 1.00 0.00 H new ATOM 0 HB2 PRO A 32 9.212 -14.775 -3.801 1.00 0.00 H new ATOM 0 HB3 PRO A 32 9.744 -15.888 -5.046 1.00 0.00 H new ATOM 0 HG2 PRO A 32 9.143 -16.423 -2.155 1.00 0.00 H new ATOM 0 HG3 PRO A 32 8.818 -17.425 -3.555 1.00 0.00 H new ATOM 0 HD2 PRO A 32 10.928 -17.869 -1.838 1.00 0.00 H new ATOM 0 HD3 PRO A 32 10.930 -18.390 -3.511 1.00 0.00 H new ATOM 497 N PRO A 33 11.105 -12.953 -3.047 1.00 0.00 N ATOM 498 CA PRO A 33 11.145 -11.799 -2.112 1.00 0.00 C ATOM 499 C PRO A 33 9.962 -11.862 -1.138 1.00 0.00 C ATOM 500 O PRO A 33 8.940 -12.440 -1.444 1.00 0.00 O ATOM 501 CB PRO A 33 11.030 -10.587 -3.031 1.00 0.00 C ATOM 502 CG PRO A 33 10.339 -11.093 -4.258 1.00 0.00 C ATOM 503 CD PRO A 33 10.701 -12.550 -4.400 1.00 0.00 C ATOM 0 HA PRO A 33 12.045 -11.775 -1.497 1.00 0.00 H new ATOM 0 HB2 PRO A 33 10.460 -9.787 -2.559 1.00 0.00 H new ATOM 0 HB3 PRO A 33 12.012 -10.180 -3.271 1.00 0.00 H new ATOM 0 HG2 PRO A 33 9.259 -10.971 -4.170 1.00 0.00 H new ATOM 0 HG3 PRO A 33 10.653 -10.530 -5.137 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.855 -13.138 -4.755 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.510 -12.692 -5.116 1.00 0.00 H new ATOM 511 N PRO A 34 10.142 -11.262 0.013 1.00 0.00 N ATOM 512 CA PRO A 34 9.072 -11.255 1.040 1.00 0.00 C ATOM 513 C PRO A 34 7.941 -10.305 0.629 1.00 0.00 C ATOM 514 O PRO A 34 7.694 -9.305 1.273 1.00 0.00 O ATOM 515 CB PRO A 34 9.779 -10.749 2.294 1.00 0.00 C ATOM 516 CG PRO A 34 10.940 -9.952 1.789 1.00 0.00 C ATOM 517 CD PRO A 34 11.342 -10.543 0.463 1.00 0.00 C ATOM 0 HA PRO A 34 8.610 -12.232 1.183 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.114 -10.136 2.902 1.00 0.00 H new ATOM 0 HB3 PRO A 34 10.111 -11.577 2.921 1.00 0.00 H new ATOM 0 HG2 PRO A 34 10.666 -8.903 1.676 1.00 0.00 H new ATOM 0 HG3 PRO A 34 11.770 -9.991 2.495 1.00 0.00 H new ATOM 0 HD2 PRO A 34 11.633 -9.769 -0.247 1.00 0.00 H new ATOM 0 HD3 PRO A 34 12.194 -11.215 0.568 1.00 0.00 H new ATOM 525 N GLN A 35 7.254 -10.611 -0.439 1.00 0.00 N ATOM 526 CA GLN A 35 6.141 -9.727 -0.892 1.00 0.00 C ATOM 527 C GLN A 35 4.790 -10.361 -0.546 1.00 0.00 C ATOM 528 O GLN A 35 4.528 -11.502 -0.868 1.00 0.00 O ATOM 529 CB GLN A 35 6.313 -9.626 -2.408 1.00 0.00 C ATOM 530 CG GLN A 35 5.575 -8.388 -2.925 1.00 0.00 C ATOM 531 CD GLN A 35 5.321 -8.534 -4.426 1.00 0.00 C ATOM 532 OE1 GLN A 35 4.222 -8.314 -4.892 1.00 0.00 O ATOM 533 NE2 GLN A 35 6.301 -8.900 -5.207 1.00 0.00 N ATOM 0 H GLN A 35 7.416 -11.435 -1.018 1.00 0.00 H new ATOM 0 HA GLN A 35 6.165 -8.749 -0.412 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.371 -9.564 -2.661 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.923 -10.523 -2.889 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.630 -8.268 -2.396 1.00 0.00 H new ATOM 0 HG3 GLN A 35 6.165 -7.492 -2.731 1.00 0.00 H new ATOM 0 HE21 GLN A 35 7.224 -9.085 -4.815 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.143 -9.001 -6.210 1.00 0.00 H new ATOM 542 N ARG A 36 3.932 -9.626 0.112 1.00 0.00 N ATOM 543 CA ARG A 36 2.597 -10.184 0.482 1.00 0.00 C ATOM 544 C ARG A 36 1.524 -9.092 0.387 1.00 0.00 C ATOM 545 O ARG A 36 1.761 -7.961 0.766 1.00 0.00 O ATOM 546 CB ARG A 36 2.755 -10.657 1.927 1.00 0.00 C ATOM 547 CG ARG A 36 1.489 -11.397 2.365 1.00 0.00 C ATOM 548 CD ARG A 36 1.520 -12.827 1.818 1.00 0.00 C ATOM 549 NE ARG A 36 2.240 -13.617 2.854 1.00 0.00 N ATOM 550 CZ ARG A 36 2.003 -14.895 2.982 1.00 0.00 C ATOM 551 NH1 ARG A 36 0.951 -15.301 3.639 1.00 0.00 N ATOM 552 NH2 ARG A 36 2.820 -15.766 2.454 1.00 0.00 N ATOM 0 H ARG A 36 4.097 -8.664 0.409 1.00 0.00 H new ATOM 0 HA ARG A 36 2.287 -10.992 -0.180 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.621 -11.314 2.013 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.935 -9.805 2.582 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.422 -11.413 3.453 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.605 -10.875 1.999 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.512 -13.211 1.658 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.035 -12.872 0.858 1.00 0.00 H new ATOM 0 HE ARG A 36 2.918 -13.160 3.464 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.314 -14.620 4.053 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.766 -16.299 3.739 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.643 -15.448 1.942 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.635 -16.764 2.554 1.00 0.00 H new ATOM 566 N PRO A 37 0.371 -9.460 -0.117 1.00 0.00 N ATOM 567 CA PRO A 37 -0.740 -8.487 -0.259 1.00 0.00 C ATOM 568 C PRO A 37 -1.340 -8.151 1.111 1.00 0.00 C ATOM 569 O PRO A 37 -2.186 -8.861 1.618 1.00 0.00 O ATOM 570 CB PRO A 37 -1.754 -9.220 -1.131 1.00 0.00 C ATOM 571 CG PRO A 37 -1.474 -10.672 -0.914 1.00 0.00 C ATOM 572 CD PRO A 37 -0.006 -10.797 -0.599 1.00 0.00 C ATOM 0 HA PRO A 37 -0.422 -7.538 -0.691 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.775 -8.968 -0.845 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.641 -8.949 -2.181 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.078 -11.063 -0.095 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.728 -11.250 -1.802 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.176 -11.560 0.158 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.569 -11.080 -1.481 1.00 0.00 H new ATOM 580 N PHE A 38 -0.910 -7.072 1.708 1.00 0.00 N ATOM 581 CA PHE A 38 -1.455 -6.686 3.043 1.00 0.00 C ATOM 582 C PHE A 38 -2.488 -5.566 2.888 1.00 0.00 C ATOM 583 O PHE A 38 -2.248 -4.574 2.228 1.00 0.00 O ATOM 584 CB PHE A 38 -0.247 -6.191 3.839 1.00 0.00 C ATOM 585 CG PHE A 38 0.521 -7.371 4.387 1.00 0.00 C ATOM 586 CD1 PHE A 38 -0.145 -8.370 5.109 1.00 0.00 C ATOM 587 CD2 PHE A 38 1.902 -7.465 4.175 1.00 0.00 C ATOM 588 CE1 PHE A 38 0.570 -9.461 5.618 1.00 0.00 C ATOM 589 CE2 PHE A 38 2.617 -8.556 4.684 1.00 0.00 C ATOM 590 CZ PHE A 38 1.951 -9.555 5.405 1.00 0.00 C ATOM 0 H PHE A 38 -0.204 -6.440 1.329 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.957 -7.517 3.539 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.399 -5.589 3.200 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.576 -5.548 4.656 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.210 -8.299 5.273 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.416 -6.695 3.618 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.056 -10.230 6.175 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.682 -8.627 4.521 1.00 0.00 H new ATOM 0 HZ PHE A 38 2.502 -10.397 5.796 1.00 0.00 H new ATOM 600 N ARG A 39 -3.640 -5.718 3.491 1.00 0.00 N ATOM 601 CA ARG A 39 -4.689 -4.664 3.379 1.00 0.00 C ATOM 602 C ARG A 39 -4.539 -3.641 4.509 1.00 0.00 C ATOM 603 O ARG A 39 -4.831 -3.923 5.657 1.00 0.00 O ATOM 604 CB ARG A 39 -6.016 -5.412 3.505 1.00 0.00 C ATOM 605 CG ARG A 39 -7.175 -4.433 3.311 1.00 0.00 C ATOM 606 CD ARG A 39 -8.446 -5.206 2.943 1.00 0.00 C ATOM 607 NE ARG A 39 -8.588 -5.035 1.471 1.00 0.00 N ATOM 608 CZ ARG A 39 -9.105 -5.992 0.748 1.00 0.00 C ATOM 609 NH1 ARG A 39 -8.615 -7.200 0.819 1.00 0.00 N ATOM 610 NH2 ARG A 39 -10.115 -5.742 -0.041 1.00 0.00 N ATOM 0 H ARG A 39 -3.898 -6.527 4.056 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.619 -4.111 2.442 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.069 -6.207 2.761 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.087 -5.886 4.484 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.337 -3.861 4.224 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.932 -3.718 2.525 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.359 -6.259 3.212 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -9.314 -4.813 3.472 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.281 -4.170 1.027 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.829 -7.396 1.439 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.018 -7.948 0.255 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -10.500 -4.799 -0.093 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -10.518 -6.490 -0.605 1.00 0.00 H new ATOM 624 N VAL A 40 -4.091 -2.454 4.193 1.00 0.00 N ATOM 625 CA VAL A 40 -3.924 -1.407 5.243 1.00 0.00 C ATOM 626 C VAL A 40 -5.113 -0.440 5.207 1.00 0.00 C ATOM 627 O VAL A 40 -5.667 -0.164 4.161 1.00 0.00 O ATOM 628 CB VAL A 40 -2.626 -0.680 4.878 1.00 0.00 C ATOM 629 CG1 VAL A 40 -2.353 0.432 5.896 1.00 0.00 C ATOM 630 CG2 VAL A 40 -1.462 -1.675 4.886 1.00 0.00 C ATOM 0 H VAL A 40 -3.833 -2.164 3.250 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.882 -1.827 6.248 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.726 -0.244 3.884 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.429 0.947 5.633 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.179 1.143 5.889 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.256 -0.002 6.891 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.539 -1.157 4.626 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.365 -2.113 5.879 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.653 -2.464 4.158 1.00 0.00 H new ATOM 640 N CYS A 41 -5.505 0.079 6.340 1.00 0.00 N ATOM 641 CA CYS A 41 -6.658 1.029 6.369 1.00 0.00 C ATOM 642 C CYS A 41 -6.369 2.192 7.324 1.00 0.00 C ATOM 643 O CYS A 41 -5.422 2.163 8.086 1.00 0.00 O ATOM 644 CB CYS A 41 -7.846 0.202 6.868 1.00 0.00 C ATOM 645 SG CYS A 41 -7.479 -0.484 8.506 1.00 0.00 S ATOM 0 H CYS A 41 -5.078 -0.113 7.246 1.00 0.00 H new ATOM 0 HA CYS A 41 -6.852 1.468 5.390 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -8.739 0.826 6.917 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.059 -0.604 6.166 1.00 0.00 H new ATOM 0 HG CYS A 41 -8.494 -1.182 8.921 1.00 0.00 H new ATOM 651 N ASP A 42 -7.179 3.217 7.284 1.00 0.00 N ATOM 652 CA ASP A 42 -6.958 4.386 8.185 1.00 0.00 C ATOM 653 C ASP A 42 -7.782 4.229 9.466 1.00 0.00 C ATOM 654 O ASP A 42 -8.515 3.272 9.627 1.00 0.00 O ATOM 655 CB ASP A 42 -7.416 5.607 7.391 1.00 0.00 C ATOM 656 CG ASP A 42 -6.597 6.824 7.829 1.00 0.00 C ATOM 657 OD1 ASP A 42 -6.347 6.950 9.016 1.00 0.00 O ATOM 658 OD2 ASP A 42 -6.240 7.611 6.969 1.00 0.00 O ATOM 0 H ASP A 42 -7.986 3.295 6.665 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.915 4.477 8.489 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -7.287 5.431 6.323 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -8.478 5.788 7.558 1.00 0.00 H new ATOM 663 N HIS A 43 -7.645 5.153 10.386 1.00 0.00 N ATOM 664 CA HIS A 43 -8.396 5.070 11.681 1.00 0.00 C ATOM 665 C HIS A 43 -9.810 4.491 11.491 1.00 0.00 C ATOM 666 O HIS A 43 -10.013 3.300 11.636 1.00 0.00 O ATOM 667 CB HIS A 43 -8.460 6.517 12.184 1.00 0.00 C ATOM 668 CG HIS A 43 -9.214 6.569 13.487 1.00 0.00 C ATOM 669 ND1 HIS A 43 -8.687 6.065 14.665 1.00 0.00 N ATOM 670 CD2 HIS A 43 -10.454 7.065 13.811 1.00 0.00 C ATOM 671 CE1 HIS A 43 -9.599 6.266 15.635 1.00 0.00 C ATOM 672 NE2 HIS A 43 -10.694 6.872 15.166 1.00 0.00 N ATOM 0 H HIS A 43 -7.040 5.969 10.295 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.904 4.402 12.388 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.452 6.910 12.320 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -8.951 7.148 11.443 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.775 5.623 14.777 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -11.138 7.533 13.118 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -9.462 5.973 16.666 1.00 0.00 H new ATOM 680 N LYS A 44 -10.792 5.304 11.182 1.00 0.00 N ATOM 681 CA LYS A 44 -12.171 4.754 11.009 1.00 0.00 C ATOM 682 C LYS A 44 -12.454 4.395 9.543 1.00 0.00 C ATOM 683 O LYS A 44 -12.559 3.236 9.192 1.00 0.00 O ATOM 684 CB LYS A 44 -13.099 5.876 11.474 1.00 0.00 C ATOM 685 CG LYS A 44 -14.553 5.403 11.404 1.00 0.00 C ATOM 686 CD LYS A 44 -14.838 4.450 12.566 1.00 0.00 C ATOM 687 CE LYS A 44 -16.324 4.084 12.572 1.00 0.00 C ATOM 688 NZ LYS A 44 -16.507 3.249 13.794 1.00 0.00 N ATOM 0 H LYS A 44 -10.700 6.310 11.044 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.310 3.833 11.576 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.850 6.168 12.494 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.962 6.758 10.848 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -15.227 6.258 11.448 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.737 4.901 10.454 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -14.231 3.550 12.469 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -14.564 4.919 13.511 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -16.951 4.975 12.605 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -16.599 3.534 11.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -17.502 2.958 13.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -15.903 2.405 13.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.243 3.802 14.635 1.00 0.00 H new ATOM 702 N ARG A 45 -12.583 5.377 8.688 1.00 0.00 N ATOM 703 CA ARG A 45 -12.866 5.079 7.251 1.00 0.00 C ATOM 704 C ARG A 45 -12.364 6.205 6.337 1.00 0.00 C ATOM 705 O ARG A 45 -12.768 6.305 5.196 1.00 0.00 O ATOM 706 CB ARG A 45 -14.389 4.964 7.166 1.00 0.00 C ATOM 707 CG ARG A 45 -14.766 4.008 6.032 1.00 0.00 C ATOM 708 CD ARG A 45 -16.266 4.119 5.749 1.00 0.00 C ATOM 709 NE ARG A 45 -16.414 3.757 4.312 1.00 0.00 N ATOM 710 CZ ARG A 45 -16.867 4.636 3.461 1.00 0.00 C ATOM 711 NH1 ARG A 45 -16.202 5.736 3.241 1.00 0.00 N ATOM 712 NH2 ARG A 45 -17.986 4.413 2.828 1.00 0.00 N ATOM 0 H ARG A 45 -12.505 6.367 8.920 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.359 4.172 6.923 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -14.790 4.600 8.112 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -14.829 5.945 6.990 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -14.197 4.249 5.134 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -14.511 2.984 6.305 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -16.839 3.446 6.387 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -16.631 5.128 5.942 1.00 0.00 H new ATOM 0 HE ARG A 45 -16.161 2.822 3.993 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -15.326 5.910 3.735 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -16.557 6.422 2.575 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -18.506 3.552 2.999 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -18.341 5.100 2.162 1.00 0.00 H new ATOM 726 N THR A 46 -11.507 7.063 6.825 1.00 0.00 N ATOM 727 CA THR A 46 -11.010 8.185 5.968 1.00 0.00 C ATOM 728 C THR A 46 -10.424 7.646 4.658 1.00 0.00 C ATOM 729 O THR A 46 -10.892 7.967 3.583 1.00 0.00 O ATOM 730 CB THR A 46 -9.927 8.880 6.794 1.00 0.00 C ATOM 731 OG1 THR A 46 -8.881 7.963 7.063 1.00 0.00 O ATOM 732 CG2 THR A 46 -10.523 9.386 8.110 1.00 0.00 C ATOM 0 H THR A 46 -11.131 7.038 7.773 1.00 0.00 H new ATOM 0 HA THR A 46 -11.813 8.870 5.695 1.00 0.00 H new ATOM 0 HB THR A 46 -9.532 9.728 6.234 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.047 8.293 6.668 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.747 9.880 8.695 1.00 0.00 H new ATOM 0 HG22 THR A 46 -11.324 10.094 7.898 1.00 0.00 H new ATOM 0 HG23 THR A 46 -10.923 8.544 8.676 1.00 0.00 H new ATOM 740 N ILE A 47 -9.405 6.831 4.738 1.00 0.00 N ATOM 741 CA ILE A 47 -8.797 6.278 3.494 1.00 0.00 C ATOM 742 C ILE A 47 -8.530 4.778 3.652 1.00 0.00 C ATOM 743 O ILE A 47 -8.358 4.281 4.748 1.00 0.00 O ATOM 744 CB ILE A 47 -7.480 7.038 3.317 1.00 0.00 C ATOM 745 CG1 ILE A 47 -7.763 8.539 3.225 1.00 0.00 C ATOM 746 CG2 ILE A 47 -6.789 6.570 2.035 1.00 0.00 C ATOM 747 CD1 ILE A 47 -6.440 9.307 3.166 1.00 0.00 C ATOM 0 H ILE A 47 -8.969 6.526 5.608 1.00 0.00 H new ATOM 0 HA ILE A 47 -9.454 6.395 2.632 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.832 6.843 4.171 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.360 8.753 2.338 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.346 8.863 4.087 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -5.851 7.111 1.909 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.585 5.501 2.101 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.437 6.764 1.181 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -6.642 10.376 3.100 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.860 9.102 4.066 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.874 8.990 2.290 1.00 0.00 H new ATOM 759 N ARG A 48 -8.491 4.058 2.563 1.00 0.00 N ATOM 760 CA ARG A 48 -8.230 2.594 2.641 1.00 0.00 C ATOM 761 C ARG A 48 -7.314 2.161 1.491 1.00 0.00 C ATOM 762 O ARG A 48 -7.508 2.545 0.356 1.00 0.00 O ATOM 763 CB ARG A 48 -9.605 1.938 2.509 1.00 0.00 C ATOM 764 CG ARG A 48 -9.461 0.420 2.635 1.00 0.00 C ATOM 765 CD ARG A 48 -10.715 -0.262 2.084 1.00 0.00 C ATOM 766 NE ARG A 48 -10.559 -0.216 0.603 1.00 0.00 N ATOM 767 CZ ARG A 48 -11.204 -1.066 -0.146 1.00 0.00 C ATOM 768 NH1 ARG A 48 -10.943 -2.343 -0.057 1.00 0.00 N ATOM 769 NH2 ARG A 48 -12.106 -0.641 -0.986 1.00 0.00 N ATOM 0 H ARG A 48 -8.629 4.423 1.621 1.00 0.00 H new ATOM 0 HA ARG A 48 -7.733 2.311 3.569 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -10.275 2.316 3.281 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -10.051 2.193 1.547 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -8.581 0.081 2.088 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.314 0.144 3.679 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -10.795 -1.289 2.441 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -11.619 0.257 2.402 1.00 0.00 H new ATOM 0 HE ARG A 48 -9.948 0.480 0.175 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -10.235 -2.674 0.598 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -11.447 -3.009 -0.643 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -12.307 0.356 -1.057 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -12.611 -1.306 -1.572 1.00 0.00 H new ATOM 783 N LYS A 49 -6.315 1.367 1.778 1.00 0.00 N ATOM 784 CA LYS A 49 -5.388 0.915 0.699 1.00 0.00 C ATOM 785 C LYS A 49 -5.068 -0.574 0.862 1.00 0.00 C ATOM 786 O LYS A 49 -4.926 -1.071 1.962 1.00 0.00 O ATOM 787 CB LYS A 49 -4.127 1.761 0.881 1.00 0.00 C ATOM 788 CG LYS A 49 -3.097 1.382 -0.186 1.00 0.00 C ATOM 789 CD LYS A 49 -3.580 1.856 -1.561 1.00 0.00 C ATOM 790 CE LYS A 49 -2.676 2.985 -2.062 1.00 0.00 C ATOM 791 NZ LYS A 49 -3.087 4.182 -1.278 1.00 0.00 N ATOM 0 H LYS A 49 -6.102 1.013 2.711 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.820 1.037 -0.294 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -4.373 2.820 0.804 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.711 1.602 1.876 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.133 1.835 0.048 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.948 0.302 -0.194 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.568 1.026 -2.268 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.611 2.204 -1.495 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.624 2.750 -1.901 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.806 3.150 -3.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.584 5.020 -1.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.112 4.326 -1.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.852 4.038 -0.275 1.00 0.00 H new ATOM 805 N GLY A 50 -4.953 -1.286 -0.227 1.00 0.00 N ATOM 806 CA GLY A 50 -4.640 -2.742 -0.140 1.00 0.00 C ATOM 807 C GLY A 50 -3.620 -3.108 -1.219 1.00 0.00 C ATOM 808 O GLY A 50 -3.974 -3.451 -2.330 1.00 0.00 O ATOM 0 H GLY A 50 -5.062 -0.922 -1.174 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.244 -2.982 0.847 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.549 -3.329 -0.270 1.00 0.00 H new ATOM 812 N LEU A 51 -2.356 -3.037 -0.900 1.00 0.00 N ATOM 813 CA LEU A 51 -1.307 -3.378 -1.905 1.00 0.00 C ATOM 814 C LEU A 51 -0.254 -4.300 -1.280 1.00 0.00 C ATOM 815 O LEU A 51 -0.182 -4.442 -0.074 1.00 0.00 O ATOM 816 CB LEU A 51 -0.681 -2.039 -2.295 1.00 0.00 C ATOM 817 CG LEU A 51 -1.642 -1.272 -3.205 1.00 0.00 C ATOM 818 CD1 LEU A 51 -1.148 0.165 -3.374 1.00 0.00 C ATOM 819 CD2 LEU A 51 -1.699 -1.955 -4.574 1.00 0.00 C ATOM 0 H LEU A 51 -2.003 -2.757 0.015 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.718 -3.903 -2.767 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.464 -1.453 -1.402 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.267 -2.204 -2.806 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.637 -1.264 -2.759 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.833 0.711 -4.022 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.105 0.652 -2.400 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.154 0.158 -3.820 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.383 -1.410 -5.224 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.704 -1.962 -5.019 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.050 -2.980 -4.455 1.00 0.00 H new ATOM 831 N THR A 52 0.557 -4.923 -2.089 1.00 0.00 N ATOM 832 CA THR A 52 1.606 -5.833 -1.542 1.00 0.00 C ATOM 833 C THR A 52 2.798 -5.015 -1.041 1.00 0.00 C ATOM 834 O THR A 52 3.238 -4.085 -1.688 1.00 0.00 O ATOM 835 CB THR A 52 2.023 -6.723 -2.716 1.00 0.00 C ATOM 836 OG1 THR A 52 2.553 -5.912 -3.759 1.00 0.00 O ATOM 837 CG2 THR A 52 0.809 -7.498 -3.231 1.00 0.00 C ATOM 0 H THR A 52 0.540 -4.842 -3.106 1.00 0.00 H new ATOM 0 HA THR A 52 1.242 -6.421 -0.700 1.00 0.00 H new ATOM 0 HB THR A 52 2.784 -7.430 -2.384 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.159 -6.447 -4.313 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.109 -8.131 -4.067 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.408 -8.120 -2.431 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.044 -6.797 -3.563 1.00 0.00 H new ATOM 845 N ALA A 53 3.322 -5.352 0.108 1.00 0.00 N ATOM 846 CA ALA A 53 4.484 -4.588 0.648 1.00 0.00 C ATOM 847 C ALA A 53 5.585 -5.550 1.107 1.00 0.00 C ATOM 848 O ALA A 53 5.319 -6.567 1.716 1.00 0.00 O ATOM 849 CB ALA A 53 3.927 -3.807 1.835 1.00 0.00 C ATOM 0 H ALA A 53 2.997 -6.121 0.694 1.00 0.00 H new ATOM 0 HA ALA A 53 4.929 -3.931 -0.100 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.724 -3.217 2.289 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.133 -3.143 1.493 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.526 -4.503 2.572 1.00 0.00 H new ATOM 855 N ALA A 54 6.817 -5.228 0.824 1.00 0.00 N ATOM 856 CA ALA A 54 7.940 -6.117 1.245 1.00 0.00 C ATOM 857 C ALA A 54 9.042 -5.286 1.907 1.00 0.00 C ATOM 858 O ALA A 54 9.847 -4.664 1.244 1.00 0.00 O ATOM 859 CB ALA A 54 8.447 -6.752 -0.049 1.00 0.00 C ATOM 0 H ALA A 54 7.096 -4.387 0.319 1.00 0.00 H new ATOM 0 HA ALA A 54 7.628 -6.869 1.970 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.277 -7.422 0.175 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.641 -7.317 -0.517 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.786 -5.971 -0.729 1.00 0.00 H new ATOM 865 N THR A 55 9.082 -5.274 3.213 1.00 0.00 N ATOM 866 CA THR A 55 10.129 -4.484 3.925 1.00 0.00 C ATOM 867 C THR A 55 10.462 -5.139 5.267 1.00 0.00 C ATOM 868 O THR A 55 9.612 -5.719 5.913 1.00 0.00 O ATOM 869 CB THR A 55 9.504 -3.106 4.136 1.00 0.00 C ATOM 870 OG1 THR A 55 8.802 -2.718 2.961 1.00 0.00 O ATOM 871 CG2 THR A 55 10.602 -2.085 4.433 1.00 0.00 C ATOM 0 H THR A 55 8.434 -5.778 3.818 1.00 0.00 H new ATOM 0 HA THR A 55 11.061 -4.426 3.363 1.00 0.00 H new ATOM 0 HB THR A 55 8.812 -3.148 4.977 1.00 0.00 H new ATOM 0 HG1 THR A 55 8.400 -1.835 3.097 1.00 0.00 H new ATOM 0 HG21 THR A 55 10.154 -1.103 4.583 1.00 0.00 H new ATOM 0 HG22 THR A 55 11.140 -2.380 5.334 1.00 0.00 H new ATOM 0 HG23 THR A 55 11.296 -2.043 3.594 1.00 0.00 H new ATOM 879 N ARG A 56 11.697 -5.058 5.689 1.00 0.00 N ATOM 880 CA ARG A 56 12.087 -5.684 6.986 1.00 0.00 C ATOM 881 C ARG A 56 11.922 -4.686 8.140 1.00 0.00 C ATOM 882 O ARG A 56 10.947 -4.722 8.865 1.00 0.00 O ATOM 883 CB ARG A 56 13.557 -6.079 6.807 1.00 0.00 C ATOM 884 CG ARG A 56 14.088 -6.693 8.104 1.00 0.00 C ATOM 885 CD ARG A 56 15.528 -7.166 7.894 1.00 0.00 C ATOM 886 NE ARG A 56 15.993 -7.600 9.239 1.00 0.00 N ATOM 887 CZ ARG A 56 16.980 -8.447 9.348 1.00 0.00 C ATOM 888 NH1 ARG A 56 18.095 -8.233 8.702 1.00 0.00 N ATOM 889 NH2 ARG A 56 16.854 -9.505 10.099 1.00 0.00 N ATOM 0 H ARG A 56 12.452 -4.586 5.191 1.00 0.00 H new ATOM 0 HA ARG A 56 11.463 -6.543 7.233 1.00 0.00 H new ATOM 0 HB2 ARG A 56 13.655 -6.793 5.989 1.00 0.00 H new ATOM 0 HB3 ARG A 56 14.149 -5.204 6.539 1.00 0.00 H new ATOM 0 HG2 ARG A 56 14.049 -5.959 8.909 1.00 0.00 H new ATOM 0 HG3 ARG A 56 13.459 -7.531 8.406 1.00 0.00 H new ATOM 0 HD2 ARG A 56 15.573 -7.986 7.178 1.00 0.00 H new ATOM 0 HD3 ARG A 56 16.153 -6.364 7.500 1.00 0.00 H new ATOM 0 HE ARG A 56 15.540 -7.235 10.077 1.00 0.00 H new ATOM 0 HH11 ARG A 56 18.193 -7.405 8.114 1.00 0.00 H new ATOM 0 HH12 ARG A 56 18.868 -8.894 8.786 1.00 0.00 H new ATOM 0 HH21 ARG A 56 15.983 -9.672 10.603 1.00 0.00 H new ATOM 0 HH22 ARG A 56 17.626 -10.166 10.183 1.00 0.00 H new ATOM 903 N GLN A 57 12.869 -3.799 8.324 1.00 0.00 N ATOM 904 CA GLN A 57 12.764 -2.810 9.438 1.00 0.00 C ATOM 905 C GLN A 57 12.056 -1.537 8.965 1.00 0.00 C ATOM 906 O GLN A 57 11.304 -0.927 9.698 1.00 0.00 O ATOM 907 CB GLN A 57 14.209 -2.504 9.830 1.00 0.00 C ATOM 908 CG GLN A 57 14.222 -1.593 11.061 1.00 0.00 C ATOM 909 CD GLN A 57 15.661 -1.185 11.384 1.00 0.00 C ATOM 910 OE1 GLN A 57 16.569 -1.461 10.626 1.00 0.00 O ATOM 911 NE2 GLN A 57 15.909 -0.533 12.487 1.00 0.00 N ATOM 0 H GLN A 57 13.709 -3.718 7.751 1.00 0.00 H new ATOM 0 HA GLN A 57 12.183 -3.197 10.275 1.00 0.00 H new ATOM 0 HB2 GLN A 57 14.743 -3.430 10.044 1.00 0.00 H new ATOM 0 HB3 GLN A 57 14.727 -2.021 9.002 1.00 0.00 H new ATOM 0 HG2 GLN A 57 13.615 -0.707 10.876 1.00 0.00 H new ATOM 0 HG3 GLN A 57 13.780 -2.110 11.913 1.00 0.00 H new ATOM 0 HE21 GLN A 57 15.147 -0.301 13.124 1.00 0.00 H new ATOM 0 HE22 GLN A 57 16.865 -0.256 12.712 1.00 0.00 H new ATOM 920 N GLU A 58 12.294 -1.128 7.748 1.00 0.00 N ATOM 921 CA GLU A 58 11.639 0.110 7.231 1.00 0.00 C ATOM 922 C GLU A 58 10.140 -0.126 6.992 1.00 0.00 C ATOM 923 O GLU A 58 9.403 0.794 6.694 1.00 0.00 O ATOM 924 CB GLU A 58 12.352 0.420 5.914 1.00 0.00 C ATOM 925 CG GLU A 58 11.799 1.720 5.326 1.00 0.00 C ATOM 926 CD GLU A 58 12.618 2.115 4.096 1.00 0.00 C ATOM 927 OE1 GLU A 58 13.834 2.088 4.185 1.00 0.00 O ATOM 928 OE2 GLU A 58 12.015 2.437 3.085 1.00 0.00 O ATOM 0 H GLU A 58 12.914 -1.598 7.088 1.00 0.00 H new ATOM 0 HA GLU A 58 11.714 0.935 7.940 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.425 0.512 6.082 1.00 0.00 H new ATOM 0 HB3 GLU A 58 12.209 -0.399 5.210 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.752 1.591 5.052 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.838 2.514 6.072 1.00 0.00 H new ATOM 935 N LEU A 59 9.683 -1.346 7.120 1.00 0.00 N ATOM 936 CA LEU A 59 8.231 -1.629 6.898 1.00 0.00 C ATOM 937 C LEU A 59 7.368 -0.707 7.763 1.00 0.00 C ATOM 938 O LEU A 59 6.410 -0.120 7.295 1.00 0.00 O ATOM 939 CB LEU A 59 8.039 -3.087 7.321 1.00 0.00 C ATOM 940 CG LEU A 59 6.650 -3.559 6.891 1.00 0.00 C ATOM 941 CD1 LEU A 59 6.705 -5.043 6.525 1.00 0.00 C ATOM 942 CD2 LEU A 59 5.664 -3.352 8.041 1.00 0.00 C ATOM 0 H LEU A 59 10.250 -2.157 7.368 1.00 0.00 H new ATOM 0 HA LEU A 59 7.937 -1.460 5.862 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.806 -3.714 6.866 1.00 0.00 H new ATOM 0 HB3 LEU A 59 8.150 -3.182 8.401 1.00 0.00 H new ATOM 0 HG LEU A 59 6.323 -2.985 6.024 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.714 -5.379 6.219 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.408 -5.190 5.705 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.032 -5.619 7.390 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.673 -3.688 7.736 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.991 -3.926 8.908 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.624 -2.294 8.300 1.00 0.00 H new ATOM 954 N LEU A 60 7.696 -0.574 9.020 1.00 0.00 N ATOM 955 CA LEU A 60 6.891 0.311 9.913 1.00 0.00 C ATOM 956 C LEU A 60 6.905 1.748 9.387 1.00 0.00 C ATOM 957 O LEU A 60 5.924 2.459 9.475 1.00 0.00 O ATOM 958 CB LEU A 60 7.578 0.236 11.279 1.00 0.00 C ATOM 959 CG LEU A 60 6.678 0.882 12.338 1.00 0.00 C ATOM 960 CD1 LEU A 60 6.007 -0.207 13.176 1.00 0.00 C ATOM 961 CD2 LEU A 60 7.524 1.775 13.251 1.00 0.00 C ATOM 0 H LEU A 60 8.486 -1.039 9.468 1.00 0.00 H new ATOM 0 HA LEU A 60 5.848 -0.000 9.965 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.778 -0.803 11.541 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.540 0.747 11.243 1.00 0.00 H new ATOM 0 HG LEU A 60 5.914 1.482 11.844 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.368 0.255 13.928 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.404 -0.844 12.529 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.770 -0.809 13.669 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.884 2.235 14.004 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.288 1.173 13.742 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.002 2.554 12.657 1.00 0.00 H new ATOM 973 N ALA A 61 8.010 2.179 8.836 1.00 0.00 N ATOM 974 CA ALA A 61 8.088 3.572 8.300 1.00 0.00 C ATOM 975 C ALA A 61 6.962 3.814 7.289 1.00 0.00 C ATOM 976 O ALA A 61 6.479 4.918 7.133 1.00 0.00 O ATOM 977 CB ALA A 61 9.451 3.659 7.611 1.00 0.00 C ATOM 0 H ALA A 61 8.862 1.627 8.734 1.00 0.00 H new ATOM 0 HA ALA A 61 7.979 4.321 9.085 1.00 0.00 H new ATOM 0 HB1 ALA A 61 9.583 4.656 7.191 1.00 0.00 H new ATOM 0 HB2 ALA A 61 10.239 3.464 8.338 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.503 2.919 6.813 1.00 0.00 H new ATOM 983 N LYS A 62 6.540 2.784 6.606 1.00 0.00 N ATOM 984 CA LYS A 62 5.443 2.946 5.607 1.00 0.00 C ATOM 985 C LYS A 62 4.145 3.354 6.310 1.00 0.00 C ATOM 986 O LYS A 62 3.522 4.335 5.963 1.00 0.00 O ATOM 987 CB LYS A 62 5.292 1.568 4.958 1.00 0.00 C ATOM 988 CG LYS A 62 4.533 1.701 3.635 1.00 0.00 C ATOM 989 CD LYS A 62 3.079 1.265 3.833 1.00 0.00 C ATOM 990 CE LYS A 62 2.221 1.818 2.693 1.00 0.00 C ATOM 991 NZ LYS A 62 0.828 1.409 3.025 1.00 0.00 N ATOM 0 H LYS A 62 6.907 1.837 6.696 1.00 0.00 H new ATOM 0 HA LYS A 62 5.663 3.720 4.872 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.274 1.128 4.782 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.757 0.896 5.629 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.570 2.733 3.285 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.007 1.087 2.869 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.014 0.177 3.856 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.707 1.627 4.791 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.308 2.902 2.624 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.533 1.411 1.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.180 1.753 2.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.774 0.372 3.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.556 1.817 3.942 1.00 0.00 H new ATOM 1005 N ALA A 63 3.738 2.601 7.298 1.00 0.00 N ATOM 1006 CA ALA A 63 2.479 2.931 8.035 1.00 0.00 C ATOM 1007 C ALA A 63 2.477 4.399 8.477 1.00 0.00 C ATOM 1008 O ALA A 63 1.446 5.041 8.525 1.00 0.00 O ATOM 1009 CB ALA A 63 2.487 2.011 9.258 1.00 0.00 C ATOM 0 H ALA A 63 4.225 1.768 7.629 1.00 0.00 H new ATOM 0 HA ALA A 63 1.595 2.789 7.413 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.593 2.191 9.855 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.502 0.971 8.931 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.372 2.215 9.861 1.00 0.00 H new ATOM 1015 N LEU A 64 3.619 4.926 8.815 1.00 0.00 N ATOM 1016 CA LEU A 64 3.690 6.347 9.265 1.00 0.00 C ATOM 1017 C LEU A 64 3.604 7.315 8.077 1.00 0.00 C ATOM 1018 O LEU A 64 2.663 8.075 7.946 1.00 0.00 O ATOM 1019 CB LEU A 64 5.047 6.474 9.957 1.00 0.00 C ATOM 1020 CG LEU A 64 5.091 5.547 11.173 1.00 0.00 C ATOM 1021 CD1 LEU A 64 6.495 5.569 11.787 1.00 0.00 C ATOM 1022 CD2 LEU A 64 4.072 6.024 12.210 1.00 0.00 C ATOM 0 H LEU A 64 4.512 4.433 8.800 1.00 0.00 H new ATOM 0 HA LEU A 64 2.860 6.600 9.925 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.846 6.217 9.262 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.213 7.506 10.267 1.00 0.00 H new ATOM 0 HG LEU A 64 4.849 4.530 10.864 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.524 4.908 12.653 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.221 5.230 11.048 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.740 6.585 12.098 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.101 5.365 13.078 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.315 7.041 12.518 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.073 6.006 11.774 1.00 0.00 H new ATOM 1034 N GLU A 65 4.600 7.313 7.230 1.00 0.00 N ATOM 1035 CA GLU A 65 4.619 8.254 6.064 1.00 0.00 C ATOM 1036 C GLU A 65 3.489 7.973 5.064 1.00 0.00 C ATOM 1037 O GLU A 65 3.124 8.835 4.289 1.00 0.00 O ATOM 1038 CB GLU A 65 5.982 8.027 5.406 1.00 0.00 C ATOM 1039 CG GLU A 65 6.332 9.226 4.521 1.00 0.00 C ATOM 1040 CD GLU A 65 5.603 9.103 3.181 1.00 0.00 C ATOM 1041 OE1 GLU A 65 5.469 7.992 2.701 1.00 0.00 O ATOM 1042 OE2 GLU A 65 5.190 10.126 2.659 1.00 0.00 O ATOM 0 H GLU A 65 5.409 6.695 7.294 1.00 0.00 H new ATOM 0 HA GLU A 65 4.467 9.283 6.389 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.747 7.890 6.170 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.961 7.115 4.809 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.047 10.153 5.018 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.409 9.269 4.358 1.00 0.00 H new ATOM 1049 N THR A 66 2.935 6.787 5.053 1.00 0.00 N ATOM 1050 CA THR A 66 1.840 6.491 4.072 1.00 0.00 C ATOM 1051 C THR A 66 0.739 7.559 4.146 1.00 0.00 C ATOM 1052 O THR A 66 0.278 8.051 3.134 1.00 0.00 O ATOM 1053 CB THR A 66 1.289 5.115 4.457 1.00 0.00 C ATOM 1054 OG1 THR A 66 0.199 4.791 3.604 1.00 0.00 O ATOM 1055 CG2 THR A 66 0.810 5.131 5.909 1.00 0.00 C ATOM 0 H THR A 66 3.188 6.017 5.672 1.00 0.00 H new ATOM 0 HA THR A 66 2.212 6.497 3.048 1.00 0.00 H new ATOM 0 HB THR A 66 2.077 4.370 4.350 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.155 3.910 3.846 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.420 4.148 6.174 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.645 5.379 6.565 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.024 5.877 6.025 1.00 0.00 H new ATOM 1063 N LEU A 67 0.315 7.927 5.328 1.00 0.00 N ATOM 1064 CA LEU A 67 -0.750 8.968 5.444 1.00 0.00 C ATOM 1065 C LEU A 67 -0.133 10.321 5.809 1.00 0.00 C ATOM 1066 O LEU A 67 -0.383 11.322 5.165 1.00 0.00 O ATOM 1067 CB LEU A 67 -1.667 8.477 6.565 1.00 0.00 C ATOM 1068 CG LEU A 67 -2.502 7.297 6.065 1.00 0.00 C ATOM 1069 CD1 LEU A 67 -3.169 6.603 7.254 1.00 0.00 C ATOM 1070 CD2 LEU A 67 -3.580 7.806 5.105 1.00 0.00 C ATOM 0 H LEU A 67 0.658 7.554 6.213 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.291 9.109 4.508 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.074 8.176 7.428 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.321 9.285 6.894 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.855 6.589 5.546 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.764 5.762 6.898 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.403 6.241 7.940 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.815 7.311 7.773 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.176 6.966 4.748 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.226 8.514 5.625 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.107 8.302 4.257 1.00 0.00 H new ATOM 1082 N LEU A 68 0.675 10.354 6.836 1.00 0.00 N ATOM 1083 CA LEU A 68 1.314 11.640 7.247 1.00 0.00 C ATOM 1084 C LEU A 68 2.717 11.378 7.804 1.00 0.00 C ATOM 1085 O LEU A 68 2.928 10.453 8.563 1.00 0.00 O ATOM 1086 CB LEU A 68 0.401 12.209 8.337 1.00 0.00 C ATOM 1087 CG LEU A 68 -0.821 12.863 7.692 1.00 0.00 C ATOM 1088 CD1 LEU A 68 -1.783 13.335 8.784 1.00 0.00 C ATOM 1089 CD2 LEU A 68 -0.375 14.065 6.851 1.00 0.00 C ATOM 0 H LEU A 68 0.920 9.546 7.408 1.00 0.00 H new ATOM 0 HA LEU A 68 1.427 12.330 6.411 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.086 11.414 9.013 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.944 12.940 8.935 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.324 12.138 7.052 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.654 13.801 8.324 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.101 12.481 9.382 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.279 14.059 9.424 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.247 14.531 6.391 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.129 14.790 7.491 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.310 13.730 6.072 1.00 0.00 H new ATOM 1101 N LEU A 69 3.675 12.187 7.436 1.00 0.00 N ATOM 1102 CA LEU A 69 5.062 11.983 7.951 1.00 0.00 C ATOM 1103 C LEU A 69 5.238 12.704 9.293 1.00 0.00 C ATOM 1104 O LEU A 69 4.998 13.889 9.407 1.00 0.00 O ATOM 1105 CB LEU A 69 5.981 12.587 6.883 1.00 0.00 C ATOM 1106 CG LEU A 69 5.714 14.092 6.752 1.00 0.00 C ATOM 1107 CD1 LEU A 69 6.849 14.874 7.414 1.00 0.00 C ATOM 1108 CD2 LEU A 69 5.636 14.470 5.270 1.00 0.00 C ATOM 0 H LEU A 69 3.558 12.978 6.803 1.00 0.00 H new ATOM 0 HA LEU A 69 5.287 10.931 8.126 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.024 12.416 7.150 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.812 12.095 5.925 1.00 0.00 H new ATOM 0 HG LEU A 69 4.771 14.335 7.242 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.658 15.943 7.320 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.907 14.607 8.469 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.792 14.630 6.925 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.446 15.539 5.177 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.579 14.225 4.782 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.827 13.915 4.795 1.00 0.00 H new ATOM 1120 N ASN A 70 5.658 11.995 10.308 1.00 0.00 N ATOM 1121 CA ASN A 70 5.849 12.639 11.643 1.00 0.00 C ATOM 1122 C ASN A 70 7.117 12.101 12.314 1.00 0.00 C ATOM 1123 O ASN A 70 7.523 10.980 12.082 1.00 0.00 O ATOM 1124 CB ASN A 70 4.609 12.254 12.452 1.00 0.00 C ATOM 1125 CG ASN A 70 4.574 13.063 13.748 1.00 0.00 C ATOM 1126 OD1 ASN A 70 5.351 12.822 14.652 1.00 0.00 O ATOM 1127 ND2 ASN A 70 3.699 14.023 13.880 1.00 0.00 N ATOM 0 H ASN A 70 5.877 10.999 10.271 1.00 0.00 H new ATOM 0 HA ASN A 70 5.965 13.720 11.566 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.708 12.443 11.868 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.625 11.188 12.677 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.668 14.570 14.740 1.00 0.00 H new ATOM 0 HD22 ASN A 70 3.047 14.226 13.123 1.00 0.00 H new ATOM 1134 N GLY A 71 7.741 12.893 13.144 1.00 0.00 N ATOM 1135 CA GLY A 71 8.981 12.431 13.830 1.00 0.00 C ATOM 1136 C GLY A 71 8.637 11.317 14.820 1.00 0.00 C ATOM 1137 O GLY A 71 9.315 10.311 14.895 1.00 0.00 O ATOM 0 H GLY A 71 7.445 13.841 13.376 1.00 0.00 H new ATOM 0 HA2 GLY A 71 9.701 12.069 13.096 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.451 13.264 14.353 1.00 0.00 H new ATOM 1141 N VAL A 72 7.587 11.488 15.582 1.00 0.00 N ATOM 1142 CA VAL A 72 7.198 10.436 16.569 1.00 0.00 C ATOM 1143 C VAL A 72 5.688 10.185 16.507 1.00 0.00 C ATOM 1144 O VAL A 72 4.894 11.100 16.596 1.00 0.00 O ATOM 1145 CB VAL A 72 7.588 11.002 17.937 1.00 0.00 C ATOM 1146 CG1 VAL A 72 7.336 9.946 19.015 1.00 0.00 C ATOM 1147 CG2 VAL A 72 9.073 11.377 17.935 1.00 0.00 C ATOM 0 H VAL A 72 6.983 12.310 15.563 1.00 0.00 H new ATOM 0 HA VAL A 72 7.690 9.484 16.368 1.00 0.00 H new ATOM 0 HB VAL A 72 6.989 11.889 18.144 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.613 10.348 19.990 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.280 9.677 19.021 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.935 9.060 18.804 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.348 11.780 18.910 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.672 10.490 17.727 1.00 0.00 H new ATOM 0 HG23 VAL A 72 9.258 12.128 17.167 1.00 0.00 H new ATOM 1157 N LEU A 73 5.289 8.950 16.351 1.00 0.00 N ATOM 1158 CA LEU A 73 3.832 8.635 16.278 1.00 0.00 C ATOM 1159 C LEU A 73 3.554 7.278 16.935 1.00 0.00 C ATOM 1160 O LEU A 73 4.334 6.353 16.820 1.00 0.00 O ATOM 1161 CB LEU A 73 3.522 8.594 14.778 1.00 0.00 C ATOM 1162 CG LEU A 73 2.013 8.742 14.531 1.00 0.00 C ATOM 1163 CD1 LEU A 73 1.283 7.495 15.032 1.00 0.00 C ATOM 1164 CD2 LEU A 73 1.478 9.978 15.263 1.00 0.00 C ATOM 0 H LEU A 73 5.910 8.145 16.271 1.00 0.00 H new ATOM 0 HA LEU A 73 3.214 9.365 16.801 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.059 9.394 14.269 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.874 7.654 14.354 1.00 0.00 H new ATOM 0 HG LEU A 73 1.840 8.859 13.461 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.213 7.604 14.855 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.652 6.619 14.499 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.463 7.372 16.100 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.408 10.074 15.081 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.656 9.873 16.333 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.989 10.868 14.896 1.00 0.00 H new ATOM 1176 N THR A 74 2.451 7.154 17.626 1.00 0.00 N ATOM 1177 CA THR A 74 2.127 5.856 18.292 1.00 0.00 C ATOM 1178 C THR A 74 1.277 4.980 17.369 1.00 0.00 C ATOM 1179 O THR A 74 0.444 5.467 16.628 1.00 0.00 O ATOM 1180 CB THR A 74 1.336 6.240 19.544 1.00 0.00 C ATOM 1181 OG1 THR A 74 0.351 7.205 19.203 1.00 0.00 O ATOM 1182 CG2 THR A 74 2.285 6.823 20.592 1.00 0.00 C ATOM 0 H THR A 74 1.761 7.894 17.758 1.00 0.00 H new ATOM 0 HA THR A 74 3.023 5.283 18.533 1.00 0.00 H new ATOM 0 HB THR A 74 0.850 5.354 19.952 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.157 7.451 20.004 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.720 7.096 21.483 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.039 6.080 20.854 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.774 7.709 20.187 1.00 0.00 H new ATOM 1190 N LEU A 75 1.477 3.687 17.410 1.00 0.00 N ATOM 1191 CA LEU A 75 0.679 2.776 16.540 1.00 0.00 C ATOM 1192 C LEU A 75 -0.408 2.083 17.364 1.00 0.00 C ATOM 1193 O LEU A 75 -0.143 1.544 18.420 1.00 0.00 O ATOM 1194 CB LEU A 75 1.679 1.748 16.007 1.00 0.00 C ATOM 1195 CG LEU A 75 2.790 2.458 15.226 1.00 0.00 C ATOM 1196 CD1 LEU A 75 4.026 2.603 16.114 1.00 0.00 C ATOM 1197 CD2 LEU A 75 3.148 1.631 13.987 1.00 0.00 C ATOM 0 H LEU A 75 2.160 3.224 18.010 1.00 0.00 H new ATOM 0 HA LEU A 75 0.180 3.312 15.733 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.108 1.182 16.834 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.169 1.032 15.362 1.00 0.00 H new ATOM 0 HG LEU A 75 2.445 3.446 14.920 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.816 3.108 15.558 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.773 3.189 16.998 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.372 1.616 16.420 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.938 2.134 13.430 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.493 0.644 14.296 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.268 1.526 13.353 1.00 0.00 H new ATOM 1209 N VAL A 76 -1.624 2.092 16.892 1.00 0.00 N ATOM 1210 CA VAL A 76 -2.722 1.428 17.652 1.00 0.00 C ATOM 1211 C VAL A 76 -3.457 0.425 16.759 1.00 0.00 C ATOM 1212 O VAL A 76 -3.251 0.374 15.562 1.00 0.00 O ATOM 1213 CB VAL A 76 -3.662 2.559 18.079 1.00 0.00 C ATOM 1214 CG1 VAL A 76 -2.919 3.511 19.017 1.00 0.00 C ATOM 1215 CG2 VAL A 76 -4.137 3.327 16.842 1.00 0.00 C ATOM 0 H VAL A 76 -1.905 2.529 16.015 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.345 0.871 18.510 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.524 2.138 18.596 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.587 4.317 19.322 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.583 2.965 19.899 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.056 3.931 18.500 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.806 4.131 17.148 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.276 3.748 16.323 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.667 2.648 16.174 1.00 0.00 H new ATOM 1225 N LEU A 77 -4.311 -0.372 17.339 1.00 0.00 N ATOM 1226 CA LEU A 77 -5.067 -1.382 16.538 1.00 0.00 C ATOM 1227 C LEU A 77 -6.512 -1.472 17.038 1.00 0.00 C ATOM 1228 O LEU A 77 -6.761 -1.756 18.193 1.00 0.00 O ATOM 1229 CB LEU A 77 -4.336 -2.709 16.770 1.00 0.00 C ATOM 1230 CG LEU A 77 -4.167 -2.959 18.276 1.00 0.00 C ATOM 1231 CD1 LEU A 77 -4.897 -4.242 18.681 1.00 0.00 C ATOM 1232 CD2 LEU A 77 -2.678 -3.096 18.606 1.00 0.00 C ATOM 0 H LEU A 77 -4.520 -0.369 18.337 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.108 -1.122 15.480 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.897 -3.527 16.318 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.360 -2.686 16.285 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.591 -2.119 18.826 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.771 -4.410 19.751 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.958 -4.145 18.452 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.482 -5.086 18.130 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.557 -3.273 19.675 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.257 -3.933 18.049 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.158 -2.179 18.329 1.00 0.00 H new ATOM 1244 N GLU A 78 -7.465 -1.230 16.177 1.00 0.00 N ATOM 1245 CA GLU A 78 -8.894 -1.301 16.605 1.00 0.00 C ATOM 1246 C GLU A 78 -9.321 -2.757 16.825 1.00 0.00 C ATOM 1247 O GLU A 78 -10.345 -3.026 17.420 1.00 0.00 O ATOM 1248 CB GLU A 78 -9.686 -0.680 15.453 1.00 0.00 C ATOM 1249 CG GLU A 78 -11.140 -0.483 15.884 1.00 0.00 C ATOM 1250 CD GLU A 78 -11.896 0.287 14.800 1.00 0.00 C ATOM 1251 OE1 GLU A 78 -11.836 -0.130 13.654 1.00 0.00 O ATOM 1252 OE2 GLU A 78 -12.518 1.281 15.132 1.00 0.00 O ATOM 0 H GLU A 78 -7.317 -0.987 15.198 1.00 0.00 H new ATOM 0 HA GLU A 78 -9.063 -0.779 17.547 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -9.247 0.276 15.169 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.639 -1.325 14.576 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -11.613 -1.450 16.055 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.180 0.063 16.827 1.00 0.00 H new ATOM 1259 N GLU A 79 -8.547 -3.696 16.347 1.00 0.00 N ATOM 1260 CA GLU A 79 -8.914 -5.133 16.527 1.00 0.00 C ATOM 1261 C GLU A 79 -9.082 -5.467 18.012 1.00 0.00 C ATOM 1262 O GLU A 79 -10.065 -6.056 18.417 1.00 0.00 O ATOM 1263 CB GLU A 79 -7.743 -5.919 15.931 1.00 0.00 C ATOM 1264 CG GLU A 79 -8.200 -7.339 15.592 1.00 0.00 C ATOM 1265 CD GLU A 79 -7.113 -8.044 14.781 1.00 0.00 C ATOM 1266 OE1 GLU A 79 -6.003 -8.151 15.278 1.00 0.00 O ATOM 1267 OE2 GLU A 79 -7.408 -8.466 13.673 1.00 0.00 O ATOM 0 H GLU A 79 -7.677 -3.531 15.840 1.00 0.00 H new ATOM 0 HA GLU A 79 -9.861 -5.375 16.044 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -7.376 -5.420 15.034 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -6.915 -5.952 16.639 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -8.404 -7.895 16.507 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.130 -7.307 15.024 1.00 0.00 H new ATOM 1274 N ASP A 80 -8.127 -5.100 18.827 1.00 0.00 N ATOM 1275 CA ASP A 80 -8.231 -5.404 20.285 1.00 0.00 C ATOM 1276 C ASP A 80 -8.253 -4.112 21.108 1.00 0.00 C ATOM 1277 O ASP A 80 -8.767 -4.077 22.208 1.00 0.00 O ATOM 1278 CB ASP A 80 -6.979 -6.223 20.605 1.00 0.00 C ATOM 1279 CG ASP A 80 -7.155 -6.918 21.957 1.00 0.00 C ATOM 1280 OD1 ASP A 80 -8.252 -7.380 22.224 1.00 0.00 O ATOM 1281 OD2 ASP A 80 -6.190 -6.976 22.699 1.00 0.00 O ATOM 0 H ASP A 80 -7.281 -4.604 18.546 1.00 0.00 H new ATOM 0 HA ASP A 80 -9.148 -5.941 20.527 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.806 -6.963 19.824 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.103 -5.574 20.629 1.00 0.00 H new ATOM 1286 N GLY A 81 -7.698 -3.051 20.586 1.00 0.00 N ATOM 1287 CA GLY A 81 -7.689 -1.763 21.343 1.00 0.00 C ATOM 1288 C GLY A 81 -6.424 -1.680 22.202 1.00 0.00 C ATOM 1289 O GLY A 81 -6.491 -1.584 23.412 1.00 0.00 O ATOM 0 H GLY A 81 -7.251 -3.019 19.670 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.726 -0.922 20.650 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -8.575 -1.695 21.975 1.00 0.00 H new ATOM 1293 N THR A 82 -5.271 -1.712 21.587 1.00 0.00 N ATOM 1294 CA THR A 82 -4.002 -1.633 22.367 1.00 0.00 C ATOM 1295 C THR A 82 -2.981 -0.752 21.639 1.00 0.00 C ATOM 1296 O THR A 82 -2.926 -0.725 20.424 1.00 0.00 O ATOM 1297 CB THR A 82 -3.497 -3.075 22.456 1.00 0.00 C ATOM 1298 OG1 THR A 82 -4.472 -3.876 23.109 1.00 0.00 O ATOM 1299 CG2 THR A 82 -2.190 -3.113 23.248 1.00 0.00 C ATOM 0 H THR A 82 -5.154 -1.790 20.577 1.00 0.00 H new ATOM 0 HA THR A 82 -4.154 -1.192 23.352 1.00 0.00 H new ATOM 0 HB THR A 82 -3.321 -3.461 21.452 1.00 0.00 H new ATOM 0 HG1 THR A 82 -4.151 -4.800 23.166 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.832 -4.141 23.310 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.443 -2.498 22.746 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.362 -2.727 24.253 1.00 0.00 H new ATOM 1307 N ALA A 83 -2.170 -0.037 22.373 1.00 0.00 N ATOM 1308 CA ALA A 83 -1.149 0.840 21.729 1.00 0.00 C ATOM 1309 C ALA A 83 0.202 0.120 21.671 1.00 0.00 C ATOM 1310 O ALA A 83 0.569 -0.599 22.580 1.00 0.00 O ATOM 1311 CB ALA A 83 -1.065 2.075 22.627 1.00 0.00 C ATOM 0 H ALA A 83 -2.171 -0.023 23.393 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.413 1.101 20.704 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.332 2.772 22.220 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.040 2.559 22.672 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.762 1.775 23.630 1.00 0.00 H new ATOM 1317 N VAL A 84 0.941 0.308 20.611 1.00 0.00 N ATOM 1318 CA VAL A 84 2.268 -0.370 20.492 1.00 0.00 C ATOM 1319 C VAL A 84 3.262 0.538 19.760 1.00 0.00 C ATOM 1320 O VAL A 84 2.888 1.331 18.919 1.00 0.00 O ATOM 1321 CB VAL A 84 2.000 -1.635 19.672 1.00 0.00 C ATOM 1322 CG1 VAL A 84 3.276 -2.478 19.601 1.00 0.00 C ATOM 1323 CG2 VAL A 84 0.889 -2.454 20.335 1.00 0.00 C ATOM 0 H VAL A 84 0.685 0.901 19.822 1.00 0.00 H new ATOM 0 HA VAL A 84 2.700 -0.599 21.466 1.00 0.00 H new ATOM 0 HB VAL A 84 1.691 -1.352 18.666 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.085 -3.379 19.017 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.069 -1.899 19.127 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.584 -2.757 20.609 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.701 -3.353 19.749 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.196 -2.735 21.342 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.022 -1.857 20.386 1.00 0.00 H new ATOM 1333 N ASP A 85 4.526 0.424 20.071 1.00 0.00 N ATOM 1334 CA ASP A 85 5.546 1.275 19.392 1.00 0.00 C ATOM 1335 C ASP A 85 6.785 0.443 19.047 1.00 0.00 C ATOM 1336 O ASP A 85 7.882 0.955 18.947 1.00 0.00 O ATOM 1337 CB ASP A 85 5.894 2.367 20.406 1.00 0.00 C ATOM 1338 CG ASP A 85 6.449 1.728 21.683 1.00 0.00 C ATOM 1339 OD1 ASP A 85 5.652 1.325 22.514 1.00 0.00 O ATOM 1340 OD2 ASP A 85 7.660 1.655 21.807 1.00 0.00 O ATOM 0 H ASP A 85 4.896 -0.223 20.767 1.00 0.00 H new ATOM 0 HA ASP A 85 5.176 1.694 18.456 1.00 0.00 H new ATOM 0 HB2 ASP A 85 6.629 3.051 19.981 1.00 0.00 H new ATOM 0 HB3 ASP A 85 5.007 2.957 20.639 1.00 0.00 H new ATOM 1345 N SER A 86 6.615 -0.841 18.864 1.00 0.00 N ATOM 1346 CA SER A 86 7.780 -1.713 18.529 1.00 0.00 C ATOM 1347 C SER A 86 7.343 -2.834 17.579 1.00 0.00 C ATOM 1348 O SER A 86 6.178 -2.977 17.268 1.00 0.00 O ATOM 1349 CB SER A 86 8.240 -2.290 19.866 1.00 0.00 C ATOM 1350 OG SER A 86 7.117 -2.813 20.563 1.00 0.00 O ATOM 0 H SER A 86 5.719 -1.324 18.932 1.00 0.00 H new ATOM 0 HA SER A 86 8.578 -1.165 18.028 1.00 0.00 H new ATOM 0 HB2 SER A 86 8.978 -3.075 19.702 1.00 0.00 H new ATOM 0 HB3 SER A 86 8.724 -1.516 20.462 1.00 0.00 H new ATOM 0 HG SER A 86 7.409 -3.186 21.421 1.00 0.00 H new ATOM 1356 N GLU A 87 8.273 -3.633 17.120 1.00 0.00 N ATOM 1357 CA GLU A 87 7.915 -4.750 16.193 1.00 0.00 C ATOM 1358 C GLU A 87 6.914 -5.702 16.862 1.00 0.00 C ATOM 1359 O GLU A 87 6.257 -6.485 16.204 1.00 0.00 O ATOM 1360 CB GLU A 87 9.233 -5.473 15.909 1.00 0.00 C ATOM 1361 CG GLU A 87 9.007 -6.565 14.861 1.00 0.00 C ATOM 1362 CD GLU A 87 9.488 -6.075 13.493 1.00 0.00 C ATOM 1363 OE1 GLU A 87 10.604 -5.591 13.419 1.00 0.00 O ATOM 1364 OE2 GLU A 87 8.731 -6.192 12.544 1.00 0.00 O ATOM 0 H GLU A 87 9.265 -3.560 17.347 1.00 0.00 H new ATOM 0 HA GLU A 87 7.444 -4.387 15.279 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.979 -4.763 15.553 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.623 -5.912 16.827 1.00 0.00 H new ATOM 0 HG2 GLU A 87 9.545 -7.470 15.143 1.00 0.00 H new ATOM 0 HG3 GLU A 87 7.949 -6.824 14.814 1.00 0.00 H new ATOM 1371 N ASP A 88 6.791 -5.640 18.163 1.00 0.00 N ATOM 1372 CA ASP A 88 5.834 -6.541 18.873 1.00 0.00 C ATOM 1373 C ASP A 88 4.396 -6.302 18.389 1.00 0.00 C ATOM 1374 O ASP A 88 3.508 -7.082 18.670 1.00 0.00 O ATOM 1375 CB ASP A 88 5.969 -6.175 20.352 1.00 0.00 C ATOM 1376 CG ASP A 88 5.163 -7.163 21.199 1.00 0.00 C ATOM 1377 OD1 ASP A 88 5.442 -8.348 21.115 1.00 0.00 O ATOM 1378 OD2 ASP A 88 4.284 -6.716 21.919 1.00 0.00 O ATOM 0 H ASP A 88 7.313 -5.003 18.765 1.00 0.00 H new ATOM 0 HA ASP A 88 6.052 -7.593 18.687 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.018 -6.197 20.649 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.611 -5.159 20.520 1.00 0.00 H new ATOM 1383 N PHE A 89 4.161 -5.231 17.670 1.00 0.00 N ATOM 1384 CA PHE A 89 2.778 -4.941 17.168 1.00 0.00 C ATOM 1385 C PHE A 89 2.150 -6.199 16.552 1.00 0.00 C ATOM 1386 O PHE A 89 1.171 -6.720 17.048 1.00 0.00 O ATOM 1387 CB PHE A 89 2.970 -3.850 16.106 1.00 0.00 C ATOM 1388 CG PHE A 89 1.692 -3.654 15.317 1.00 0.00 C ATOM 1389 CD1 PHE A 89 0.456 -3.635 15.969 1.00 0.00 C ATOM 1390 CD2 PHE A 89 1.750 -3.490 13.931 1.00 0.00 C ATOM 1391 CE1 PHE A 89 -0.723 -3.454 15.238 1.00 0.00 C ATOM 1392 CE2 PHE A 89 0.576 -3.308 13.192 1.00 0.00 C ATOM 1393 CZ PHE A 89 -0.675 -3.287 13.839 1.00 0.00 C ATOM 0 H PHE A 89 4.867 -4.543 17.408 1.00 0.00 H new ATOM 0 HA PHE A 89 2.107 -4.623 17.966 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.257 -2.914 16.584 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.782 -4.126 15.433 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.411 -3.760 17.041 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.705 -3.504 13.428 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.675 -3.442 15.748 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.629 -3.183 12.121 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.583 -3.145 13.272 1.00 0.00 H new ATOM 1403 N PHE A 90 2.706 -6.689 15.476 1.00 0.00 N ATOM 1404 CA PHE A 90 2.137 -7.910 14.829 1.00 0.00 C ATOM 1405 C PHE A 90 2.328 -9.136 15.732 1.00 0.00 C ATOM 1406 O PHE A 90 1.738 -10.176 15.507 1.00 0.00 O ATOM 1407 CB PHE A 90 2.929 -8.077 13.532 1.00 0.00 C ATOM 1408 CG PHE A 90 2.567 -6.968 12.575 1.00 0.00 C ATOM 1409 CD1 PHE A 90 1.259 -6.856 12.098 1.00 0.00 C ATOM 1410 CD2 PHE A 90 3.537 -6.052 12.168 1.00 0.00 C ATOM 1411 CE1 PHE A 90 0.916 -5.828 11.212 1.00 0.00 C ATOM 1412 CE2 PHE A 90 3.207 -5.020 11.280 1.00 0.00 C ATOM 1413 CZ PHE A 90 1.889 -4.897 10.793 1.00 0.00 C ATOM 0 H PHE A 90 3.529 -6.298 15.017 1.00 0.00 H new ATOM 0 HA PHE A 90 1.066 -7.815 14.648 1.00 0.00 H new ATOM 0 HB2 PHE A 90 3.999 -8.056 13.741 1.00 0.00 H new ATOM 0 HB3 PHE A 90 2.711 -9.046 13.082 1.00 0.00 H new ATOM 0 HD1 PHE A 90 0.509 -7.566 12.414 1.00 0.00 H new ATOM 0 HD2 PHE A 90 4.547 -6.139 12.539 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -0.098 -5.747 10.848 1.00 0.00 H new ATOM 0 HE2 PHE A 90 3.964 -4.316 10.967 1.00 0.00 H new ATOM 0 HZ PHE A 90 1.629 -4.102 10.110 1.00 0.00 H new ATOM 1423 N GLN A 91 3.143 -9.025 16.747 1.00 0.00 N ATOM 1424 CA GLN A 91 3.369 -10.188 17.656 1.00 0.00 C ATOM 1425 C GLN A 91 2.296 -10.234 18.750 1.00 0.00 C ATOM 1426 O GLN A 91 2.049 -11.266 19.342 1.00 0.00 O ATOM 1427 CB GLN A 91 4.747 -9.944 18.271 1.00 0.00 C ATOM 1428 CG GLN A 91 5.276 -11.244 18.878 1.00 0.00 C ATOM 1429 CD GLN A 91 6.489 -10.939 19.757 1.00 0.00 C ATOM 1430 OE1 GLN A 91 6.604 -11.453 20.853 1.00 0.00 O ATOM 1431 NE2 GLN A 91 7.405 -10.119 19.321 1.00 0.00 N ATOM 0 H GLN A 91 3.662 -8.180 16.986 1.00 0.00 H new ATOM 0 HA GLN A 91 3.316 -11.139 17.125 1.00 0.00 H new ATOM 0 HB2 GLN A 91 5.437 -9.579 17.510 1.00 0.00 H new ATOM 0 HB3 GLN A 91 4.682 -9.173 19.038 1.00 0.00 H new ATOM 0 HG2 GLN A 91 4.497 -11.725 19.469 1.00 0.00 H new ATOM 0 HG3 GLN A 91 5.553 -11.941 18.087 1.00 0.00 H new ATOM 0 HE21 GLN A 91 7.308 -9.688 18.402 1.00 0.00 H new ATOM 0 HE22 GLN A 91 8.218 -9.909 19.900 1.00 0.00 H new ATOM 1440 N LEU A 92 1.660 -9.126 19.023 1.00 0.00 N ATOM 1441 CA LEU A 92 0.607 -9.109 20.082 1.00 0.00 C ATOM 1442 C LEU A 92 -0.759 -9.484 19.495 1.00 0.00 C ATOM 1443 O LEU A 92 -1.711 -9.706 20.218 1.00 0.00 O ATOM 1444 CB LEU A 92 0.591 -7.667 20.598 1.00 0.00 C ATOM 1445 CG LEU A 92 -0.456 -7.527 21.710 1.00 0.00 C ATOM 1446 CD1 LEU A 92 0.180 -6.863 22.931 1.00 0.00 C ATOM 1447 CD2 LEU A 92 -1.617 -6.663 21.211 1.00 0.00 C ATOM 0 H LEU A 92 1.823 -8.232 18.559 1.00 0.00 H new ATOM 0 HA LEU A 92 0.813 -9.829 20.874 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.576 -7.395 20.977 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.363 -6.981 19.782 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.826 -8.515 21.984 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.565 -6.764 23.721 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.008 -7.475 23.288 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.551 -5.876 22.656 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.362 -6.563 22.001 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.244 -5.676 20.936 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.073 -7.134 20.340 1.00 0.00 H new ATOM 1459 N LEU A 93 -0.868 -9.553 18.194 1.00 0.00 N ATOM 1460 CA LEU A 93 -2.176 -9.908 17.573 1.00 0.00 C ATOM 1461 C LEU A 93 -2.017 -11.118 16.649 1.00 0.00 C ATOM 1462 O LEU A 93 -0.950 -11.372 16.124 1.00 0.00 O ATOM 1463 CB LEU A 93 -2.577 -8.675 16.761 1.00 0.00 C ATOM 1464 CG LEU A 93 -2.791 -7.483 17.698 1.00 0.00 C ATOM 1465 CD1 LEU A 93 -1.508 -6.649 17.766 1.00 0.00 C ATOM 1466 CD2 LEU A 93 -3.936 -6.613 17.169 1.00 0.00 C ATOM 0 H LEU A 93 -0.108 -9.379 17.536 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.924 -10.172 18.320 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.802 -8.441 16.031 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.490 -8.878 16.202 1.00 0.00 H new ATOM 0 HG LEU A 93 -3.042 -7.847 18.694 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -1.661 -5.801 18.433 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.693 -7.266 18.144 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.257 -6.286 16.769 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.087 -5.765 17.837 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.686 -6.250 16.172 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.850 -7.205 17.121 1.00 0.00 H new ATOM 1478 N GLU A 94 -3.072 -11.857 16.436 1.00 0.00 N ATOM 1479 CA GLU A 94 -2.983 -13.040 15.530 1.00 0.00 C ATOM 1480 C GLU A 94 -2.673 -12.562 14.111 1.00 0.00 C ATOM 1481 O GLU A 94 -2.617 -11.375 13.854 1.00 0.00 O ATOM 1482 CB GLU A 94 -4.362 -13.699 15.590 1.00 0.00 C ATOM 1483 CG GLU A 94 -4.211 -15.221 15.507 1.00 0.00 C ATOM 1484 CD GLU A 94 -4.449 -15.839 16.886 1.00 0.00 C ATOM 1485 OE1 GLU A 94 -5.421 -15.462 17.522 1.00 0.00 O ATOM 1486 OE2 GLU A 94 -3.657 -16.677 17.283 1.00 0.00 O ATOM 0 H GLU A 94 -3.990 -11.694 16.849 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.198 -13.738 15.822 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -4.867 -13.424 16.516 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -4.983 -13.340 14.769 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -4.922 -15.628 14.788 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.214 -15.478 15.150 1.00 0.00 H new ATOM 1493 N ASP A 95 -2.464 -13.461 13.186 1.00 0.00 N ATOM 1494 CA ASP A 95 -2.152 -13.017 11.795 1.00 0.00 C ATOM 1495 C ASP A 95 -3.299 -12.167 11.244 1.00 0.00 C ATOM 1496 O ASP A 95 -4.432 -12.604 11.162 1.00 0.00 O ATOM 1497 CB ASP A 95 -2.005 -14.308 10.988 1.00 0.00 C ATOM 1498 CG ASP A 95 -1.658 -13.969 9.537 1.00 0.00 C ATOM 1499 OD1 ASP A 95 -0.814 -13.113 9.336 1.00 0.00 O ATOM 1500 OD2 ASP A 95 -2.246 -14.571 8.652 1.00 0.00 O ATOM 0 H ASP A 95 -2.495 -14.470 13.329 1.00 0.00 H new ATOM 0 HA ASP A 95 -1.251 -12.405 11.749 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -1.225 -14.934 11.422 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -2.932 -14.881 11.027 1.00 0.00 H new ATOM 1505 N ASP A 96 -3.008 -10.954 10.862 1.00 0.00 N ATOM 1506 CA ASP A 96 -4.065 -10.057 10.308 1.00 0.00 C ATOM 1507 C ASP A 96 -3.419 -8.823 9.677 1.00 0.00 C ATOM 1508 O ASP A 96 -2.223 -8.632 9.764 1.00 0.00 O ATOM 1509 CB ASP A 96 -4.932 -9.661 11.509 1.00 0.00 C ATOM 1510 CG ASP A 96 -4.060 -9.026 12.596 1.00 0.00 C ATOM 1511 OD1 ASP A 96 -3.298 -8.130 12.273 1.00 0.00 O ATOM 1512 OD2 ASP A 96 -4.170 -9.447 13.735 1.00 0.00 O ATOM 0 H ASP A 96 -2.076 -10.541 10.910 1.00 0.00 H new ATOM 0 HA ASP A 96 -4.656 -10.543 9.532 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -5.705 -8.959 11.195 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -5.441 -10.539 11.906 1.00 0.00 H new ATOM 1517 N THR A 97 -4.198 -7.975 9.060 1.00 0.00 N ATOM 1518 CA THR A 97 -3.612 -6.748 8.451 1.00 0.00 C ATOM 1519 C THR A 97 -4.352 -5.510 8.963 1.00 0.00 C ATOM 1520 O THR A 97 -5.446 -5.204 8.532 1.00 0.00 O ATOM 1521 CB THR A 97 -3.804 -6.904 6.941 1.00 0.00 C ATOM 1522 OG1 THR A 97 -3.782 -8.282 6.595 1.00 0.00 O ATOM 1523 CG2 THR A 97 -2.676 -6.174 6.209 1.00 0.00 C ATOM 0 H THR A 97 -5.207 -8.078 8.952 1.00 0.00 H new ATOM 0 HA THR A 97 -2.560 -6.626 8.707 1.00 0.00 H new ATOM 0 HB THR A 97 -4.764 -6.477 6.651 1.00 0.00 H new ATOM 0 HG1 THR A 97 -3.907 -8.378 5.628 1.00 0.00 H new ATOM 0 HG21 THR A 97 -2.810 -6.283 5.133 1.00 0.00 H new ATOM 0 HG22 THR A 97 -2.697 -5.116 6.472 1.00 0.00 H new ATOM 0 HG23 THR A 97 -1.717 -6.602 6.500 1.00 0.00 H new ATOM 1531 N CYS A 98 -3.754 -4.798 9.878 1.00 0.00 N ATOM 1532 CA CYS A 98 -4.405 -3.574 10.426 1.00 0.00 C ATOM 1533 C CYS A 98 -3.353 -2.485 10.634 1.00 0.00 C ATOM 1534 O CYS A 98 -2.284 -2.738 11.155 1.00 0.00 O ATOM 1535 CB CYS A 98 -5.006 -4.006 11.764 1.00 0.00 C ATOM 1536 SG CYS A 98 -6.071 -2.688 12.400 1.00 0.00 S ATOM 0 H CYS A 98 -2.838 -5.012 10.272 1.00 0.00 H new ATOM 0 HA CYS A 98 -5.165 -3.168 9.758 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -5.581 -4.923 11.637 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -4.212 -4.223 12.478 1.00 0.00 H new ATOM 0 HG CYS A 98 -6.584 -3.055 13.537 1.00 0.00 H new ATOM 1542 N LEU A 99 -3.639 -1.279 10.229 1.00 0.00 N ATOM 1543 CA LEU A 99 -2.641 -0.187 10.405 1.00 0.00 C ATOM 1544 C LEU A 99 -3.327 1.117 10.814 1.00 0.00 C ATOM 1545 O LEU A 99 -4.295 1.539 10.215 1.00 0.00 O ATOM 1546 CB LEU A 99 -1.976 -0.037 9.035 1.00 0.00 C ATOM 1547 CG LEU A 99 -0.669 0.744 9.180 1.00 0.00 C ATOM 1548 CD1 LEU A 99 0.398 0.129 8.268 1.00 0.00 C ATOM 1549 CD2 LEU A 99 -0.900 2.205 8.785 1.00 0.00 C ATOM 0 H LEU A 99 -4.515 -1.003 9.786 1.00 0.00 H new ATOM 0 HA LEU A 99 -1.921 -0.416 11.190 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -1.778 -1.019 8.606 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -2.646 0.481 8.349 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.331 0.698 10.215 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.330 0.686 8.371 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.563 -0.911 8.551 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.061 0.174 7.232 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.032 2.762 8.888 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.238 2.253 7.750 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.658 2.642 9.435 1.00 0.00 H new ATOM 1561 N MET A 100 -2.816 1.761 11.828 1.00 0.00 N ATOM 1562 CA MET A 100 -3.416 3.047 12.281 1.00 0.00 C ATOM 1563 C MET A 100 -2.308 3.979 12.777 1.00 0.00 C ATOM 1564 O MET A 100 -1.430 3.573 13.514 1.00 0.00 O ATOM 1565 CB MET A 100 -4.354 2.670 13.426 1.00 0.00 C ATOM 1566 CG MET A 100 -5.341 3.812 13.678 1.00 0.00 C ATOM 1567 SD MET A 100 -6.726 3.204 14.670 1.00 0.00 S ATOM 1568 CE MET A 100 -7.462 2.142 13.404 1.00 0.00 C ATOM 0 H MET A 100 -2.006 1.450 12.364 1.00 0.00 H new ATOM 0 HA MET A 100 -3.947 3.566 11.483 1.00 0.00 H new ATOM 0 HB2 MET A 100 -4.895 1.756 13.181 1.00 0.00 H new ATOM 0 HB3 MET A 100 -3.779 2.467 14.329 1.00 0.00 H new ATOM 0 HG2 MET A 100 -4.841 4.631 14.195 1.00 0.00 H new ATOM 0 HG3 MET A 100 -5.705 4.208 12.730 1.00 0.00 H new ATOM 0 HE1 MET A 100 -8.545 2.266 13.410 1.00 0.00 H new ATOM 0 HE2 MET A 100 -7.071 2.418 12.425 1.00 0.00 H new ATOM 0 HE3 MET A 100 -7.214 1.101 13.613 1.00 0.00 H new ATOM 1578 N VAL A 101 -2.335 5.221 12.378 1.00 0.00 N ATOM 1579 CA VAL A 101 -1.276 6.168 12.829 1.00 0.00 C ATOM 1580 C VAL A 101 -1.906 7.495 13.260 1.00 0.00 C ATOM 1581 O VAL A 101 -2.442 8.230 12.455 1.00 0.00 O ATOM 1582 CB VAL A 101 -0.385 6.362 11.599 1.00 0.00 C ATOM 1583 CG1 VAL A 101 0.725 7.363 11.913 1.00 0.00 C ATOM 1584 CG2 VAL A 101 0.240 5.019 11.209 1.00 0.00 C ATOM 0 H VAL A 101 -3.042 5.620 11.761 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.715 5.796 13.686 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.989 6.742 10.775 1.00 0.00 H new ATOM 0 HG11 VAL A 101 1.355 7.496 11.033 1.00 0.00 H new ATOM 0 HG12 VAL A 101 0.284 8.320 12.191 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.330 6.988 12.739 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.875 5.154 10.333 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.840 4.642 12.038 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.549 4.304 10.978 1.00 0.00 H new ATOM 1594 N LEU A 102 -1.838 7.807 14.527 1.00 0.00 N ATOM 1595 CA LEU A 102 -2.426 9.087 15.017 1.00 0.00 C ATOM 1596 C LEU A 102 -1.610 9.633 16.193 1.00 0.00 C ATOM 1597 O LEU A 102 -0.702 8.989 16.683 1.00 0.00 O ATOM 1598 CB LEU A 102 -3.853 8.739 15.452 1.00 0.00 C ATOM 1599 CG LEU A 102 -3.824 7.625 16.504 1.00 0.00 C ATOM 1600 CD1 LEU A 102 -5.094 7.699 17.352 1.00 0.00 C ATOM 1601 CD2 LEU A 102 -3.757 6.262 15.807 1.00 0.00 C ATOM 0 H LEU A 102 -1.400 7.229 15.245 1.00 0.00 H new ATOM 0 HA LEU A 102 -2.421 9.861 14.249 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.343 9.623 15.860 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -4.437 8.420 14.589 1.00 0.00 H new ATOM 0 HG LEU A 102 -2.949 7.749 17.141 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -5.077 6.908 18.102 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -5.144 8.668 17.848 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -5.967 7.574 16.712 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -3.736 5.471 16.556 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -4.632 6.136 15.170 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -2.854 6.209 15.198 1.00 0.00 H new ATOM 1613 N GLN A 103 -1.929 10.814 16.650 1.00 0.00 N ATOM 1614 CA GLN A 103 -1.175 11.402 17.795 1.00 0.00 C ATOM 1615 C GLN A 103 -1.712 10.853 19.120 1.00 0.00 C ATOM 1616 O GLN A 103 -2.855 10.448 19.215 1.00 0.00 O ATOM 1617 CB GLN A 103 -1.419 12.907 17.697 1.00 0.00 C ATOM 1618 CG GLN A 103 -0.588 13.632 18.757 1.00 0.00 C ATOM 1619 CD GLN A 103 -1.039 15.090 18.856 1.00 0.00 C ATOM 1620 OE1 GLN A 103 -2.221 15.368 18.911 1.00 0.00 O ATOM 1621 NE2 GLN A 103 -0.144 16.038 18.879 1.00 0.00 N ATOM 0 H GLN A 103 -2.679 11.397 16.280 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.113 11.159 17.760 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -1.151 13.265 16.703 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -2.478 13.124 17.839 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -0.702 13.139 19.723 1.00 0.00 H new ATOM 0 HG3 GLN A 103 0.470 13.585 18.499 1.00 0.00 H new ATOM 0 HE21 GLN A 103 0.848 15.804 18.833 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -0.436 17.013 18.943 1.00 0.00 H new ATOM 1630 N SER A 104 -0.898 10.836 20.141 1.00 0.00 N ATOM 1631 CA SER A 104 -1.360 10.312 21.460 1.00 0.00 C ATOM 1632 C SER A 104 -2.529 11.153 21.984 1.00 0.00 C ATOM 1633 O SER A 104 -2.821 12.214 21.469 1.00 0.00 O ATOM 1634 CB SER A 104 -0.150 10.441 22.388 1.00 0.00 C ATOM 1635 OG SER A 104 0.305 11.786 22.382 1.00 0.00 O ATOM 0 H SER A 104 0.068 11.163 20.119 1.00 0.00 H new ATOM 0 HA SER A 104 -1.713 9.283 21.392 1.00 0.00 H new ATOM 0 HB2 SER A 104 -0.420 10.141 23.400 1.00 0.00 H new ATOM 0 HB3 SER A 104 0.647 9.774 22.060 1.00 0.00 H new ATOM 0 HG SER A 104 1.079 11.872 22.977 1.00 0.00 H new ATOM 1641 N GLY A 105 -3.200 10.683 23.001 1.00 0.00 N ATOM 1642 CA GLY A 105 -4.350 11.451 23.558 1.00 0.00 C ATOM 1643 C GLY A 105 -5.637 11.039 22.841 1.00 0.00 C ATOM 1644 O GLY A 105 -6.538 11.834 22.655 1.00 0.00 O ATOM 0 H GLY A 105 -3.001 9.800 23.470 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -4.442 11.263 24.628 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -4.180 12.521 23.435 1.00 0.00 H new ATOM 1648 N GLN A 106 -5.730 9.799 22.438 1.00 0.00 N ATOM 1649 CA GLN A 106 -6.958 9.332 21.732 1.00 0.00 C ATOM 1650 C GLN A 106 -7.333 7.925 22.203 1.00 0.00 C ATOM 1651 O GLN A 106 -6.508 7.190 22.708 1.00 0.00 O ATOM 1652 CB GLN A 106 -6.582 9.317 20.249 1.00 0.00 C ATOM 1653 CG GLN A 106 -7.836 9.082 19.406 1.00 0.00 C ATOM 1654 CD GLN A 106 -7.562 9.489 17.958 1.00 0.00 C ATOM 1655 OE1 GLN A 106 -6.726 10.333 17.699 1.00 0.00 O ATOM 1656 NE2 GLN A 106 -8.234 8.921 16.994 1.00 0.00 N ATOM 0 H GLN A 106 -5.008 9.090 22.568 1.00 0.00 H new ATOM 0 HA GLN A 106 -7.817 9.974 21.928 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -6.117 10.263 19.972 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -5.850 8.533 20.057 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -8.126 8.032 19.451 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -8.669 9.660 19.806 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -8.936 8.213 17.210 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -8.058 9.185 16.025 1.00 0.00 H new ATOM 1665 N SER A 107 -8.572 7.546 22.043 1.00 0.00 N ATOM 1666 CA SER A 107 -9.002 6.186 22.481 1.00 0.00 C ATOM 1667 C SER A 107 -9.657 5.437 21.318 1.00 0.00 C ATOM 1668 O SER A 107 -9.893 5.993 20.264 1.00 0.00 O ATOM 1669 CB SER A 107 -10.016 6.432 23.600 1.00 0.00 C ATOM 1670 OG SER A 107 -9.495 7.401 24.499 1.00 0.00 O ATOM 0 H SER A 107 -9.306 8.120 21.628 1.00 0.00 H new ATOM 0 HA SER A 107 -8.163 5.577 22.818 1.00 0.00 H new ATOM 0 HB2 SER A 107 -10.961 6.778 23.181 1.00 0.00 H new ATOM 0 HB3 SER A 107 -10.224 5.502 24.129 1.00 0.00 H new ATOM 0 HG SER A 107 -10.142 7.563 25.217 1.00 0.00 H new ATOM 1676 N TRP A 108 -9.952 4.178 21.504 1.00 0.00 N ATOM 1677 CA TRP A 108 -10.592 3.386 20.412 1.00 0.00 C ATOM 1678 C TRP A 108 -12.106 3.617 20.403 1.00 0.00 C ATOM 1679 O TRP A 108 -12.670 4.128 21.351 1.00 0.00 O ATOM 1680 CB TRP A 108 -10.280 1.927 20.743 1.00 0.00 C ATOM 1681 CG TRP A 108 -8.888 1.599 20.309 1.00 0.00 C ATOM 1682 CD1 TRP A 108 -8.534 1.221 19.058 1.00 0.00 C ATOM 1683 CD2 TRP A 108 -7.662 1.605 21.097 1.00 0.00 C ATOM 1684 NE1 TRP A 108 -7.169 0.994 19.030 1.00 0.00 N ATOM 1685 CE2 TRP A 108 -6.587 1.217 20.262 1.00 0.00 C ATOM 1686 CE3 TRP A 108 -7.382 1.905 22.442 1.00 0.00 C ATOM 1687 CZ2 TRP A 108 -5.281 1.129 20.745 1.00 0.00 C ATOM 1688 CZ3 TRP A 108 -6.068 1.821 22.931 1.00 0.00 C ATOM 1689 CH2 TRP A 108 -5.020 1.433 22.083 1.00 0.00 C ATOM 0 H TRP A 108 -9.777 3.662 22.367 1.00 0.00 H new ATOM 0 HA TRP A 108 -10.220 3.672 19.428 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -10.387 1.756 21.814 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -10.992 1.270 20.243 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -9.206 1.114 18.220 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -6.655 0.698 18.200 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -8.183 2.202 23.103 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -4.478 0.828 20.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -5.863 2.056 23.965 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -4.012 1.369 22.465 1.00 0.00 H new ATOM 1700 N SER A 109 -12.765 3.239 19.342 1.00 0.00 N ATOM 1701 CA SER A 109 -14.243 3.428 19.268 1.00 0.00 C ATOM 1702 C SER A 109 -14.961 2.160 19.755 1.00 0.00 C ATOM 1703 O SER A 109 -14.824 1.112 19.161 1.00 0.00 O ATOM 1704 CB SER A 109 -14.537 3.673 17.788 1.00 0.00 C ATOM 1705 OG SER A 109 -14.821 5.053 17.588 1.00 0.00 O ATOM 0 H SER A 109 -12.343 2.806 18.521 1.00 0.00 H new ATOM 0 HA SER A 109 -14.587 4.251 19.894 1.00 0.00 H new ATOM 0 HB2 SER A 109 -13.682 3.374 17.181 1.00 0.00 H new ATOM 0 HB3 SER A 109 -15.383 3.065 17.468 1.00 0.00 H new ATOM 0 HG SER A 109 -15.008 5.214 16.640 1.00 0.00 H new ATOM 1711 N PRO A 110 -15.706 2.296 20.827 1.00 0.00 N ATOM 1712 CA PRO A 110 -16.442 1.133 21.385 1.00 0.00 C ATOM 1713 C PRO A 110 -17.626 0.763 20.484 1.00 0.00 C ATOM 1714 O PRO A 110 -18.360 1.617 20.030 1.00 0.00 O ATOM 1715 CB PRO A 110 -16.928 1.633 22.744 1.00 0.00 C ATOM 1716 CG PRO A 110 -16.992 3.121 22.607 1.00 0.00 C ATOM 1717 CD PRO A 110 -15.933 3.517 21.611 1.00 0.00 C ATOM 0 HA PRO A 110 -15.828 0.236 21.461 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -17.904 1.217 22.992 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -16.245 1.339 23.541 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -17.979 3.435 22.266 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -16.818 3.605 23.568 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -16.267 4.340 20.979 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -15.021 3.847 22.108 1.00 0.00 H new ATOM 1725 N THR A 111 -17.813 -0.505 20.228 1.00 0.00 N ATOM 1726 CA THR A 111 -18.948 -0.932 19.360 1.00 0.00 C ATOM 1727 C THR A 111 -19.827 -1.945 20.101 1.00 0.00 C ATOM 1728 O THR A 111 -19.389 -3.027 20.440 1.00 0.00 O ATOM 1729 CB THR A 111 -18.293 -1.583 18.140 1.00 0.00 C ATOM 1730 OG1 THR A 111 -17.398 -0.660 17.536 1.00 0.00 O ATOM 1731 CG2 THR A 111 -19.372 -1.985 17.133 1.00 0.00 C ATOM 0 H THR A 111 -17.229 -1.262 20.582 1.00 0.00 H new ATOM 0 HA THR A 111 -19.590 -0.097 19.080 1.00 0.00 H new ATOM 0 HB THR A 111 -17.743 -2.471 18.453 1.00 0.00 H new ATOM 0 HG1 THR A 111 -16.976 -1.076 16.755 1.00 0.00 H new ATOM 0 HG21 THR A 111 -18.904 -2.449 16.264 1.00 0.00 H new ATOM 0 HG22 THR A 111 -20.057 -2.694 17.598 1.00 0.00 H new ATOM 0 HG23 THR A 111 -19.924 -1.099 16.818 1.00 0.00 H new ATOM 1739 N ARG A 112 -21.062 -1.602 20.352 1.00 0.00 N ATOM 1740 CA ARG A 112 -21.970 -2.545 21.071 1.00 0.00 C ATOM 1741 C ARG A 112 -23.431 -2.204 20.771 1.00 0.00 C ATOM 1742 O ARG A 112 -23.761 -1.086 20.428 1.00 0.00 O ATOM 1743 CB ARG A 112 -21.659 -2.342 22.556 1.00 0.00 C ATOM 1744 CG ARG A 112 -21.910 -0.883 22.942 1.00 0.00 C ATOM 1745 CD ARG A 112 -21.459 -0.652 24.387 1.00 0.00 C ATOM 1746 NE ARG A 112 -21.317 0.826 24.513 1.00 0.00 N ATOM 1747 CZ ARG A 112 -21.710 1.426 25.604 1.00 0.00 C ATOM 1748 NH1 ARG A 112 -22.976 1.450 25.916 1.00 0.00 N ATOM 1749 NH2 ARG A 112 -20.835 2.006 26.380 1.00 0.00 N ATOM 0 H ARG A 112 -21.482 -0.710 20.091 1.00 0.00 H new ATOM 0 HA ARG A 112 -21.819 -3.580 20.764 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -22.282 -3.000 23.161 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -20.622 -2.609 22.760 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -21.366 -0.219 22.270 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -22.969 -0.645 22.838 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -22.190 -1.040 25.096 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -20.516 -1.158 24.592 1.00 0.00 H new ATOM 0 HE ARG A 112 -20.914 1.368 23.749 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -23.660 1.000 25.308 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -23.282 1.919 26.768 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -19.845 1.990 26.134 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -21.141 2.475 27.233 1.00 0.00 H new ATOM 1763 N SER A 113 -24.310 -3.162 20.900 1.00 0.00 N ATOM 1764 CA SER A 113 -25.753 -2.899 20.625 1.00 0.00 C ATOM 1765 C SER A 113 -26.630 -3.845 21.449 1.00 0.00 C ATOM 1766 O SER A 113 -27.614 -3.442 22.038 1.00 0.00 O ATOM 1767 CB SER A 113 -25.927 -3.171 19.132 1.00 0.00 C ATOM 1768 OG SER A 113 -27.313 -3.258 18.830 1.00 0.00 O ATOM 0 H SER A 113 -24.091 -4.117 21.184 1.00 0.00 H new ATOM 0 HA SER A 113 -26.046 -1.883 20.891 1.00 0.00 H new ATOM 0 HB2 SER A 113 -25.465 -2.374 18.549 1.00 0.00 H new ATOM 0 HB3 SER A 113 -25.424 -4.099 18.858 1.00 0.00 H new ATOM 0 HG SER A 113 -27.429 -3.431 17.872 1.00 0.00 H new ATOM 1774 N GLY A 114 -26.278 -5.104 21.495 1.00 0.00 N ATOM 1775 CA GLY A 114 -27.087 -6.079 22.280 1.00 0.00 C ATOM 1776 C GLY A 114 -26.553 -6.152 23.711 1.00 0.00 C ATOM 1777 O GLY A 114 -26.507 -5.164 24.417 1.00 0.00 O ATOM 0 H GLY A 114 -25.465 -5.498 21.022 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -28.134 -5.776 22.287 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -27.042 -7.063 21.814 1.00 0.00 H new ATOM 1781 N VAL A 115 -26.145 -7.317 24.143 1.00 0.00 N ATOM 1782 CA VAL A 115 -25.612 -7.456 25.529 1.00 0.00 C ATOM 1783 C VAL A 115 -24.089 -7.611 25.494 1.00 0.00 C ATOM 1784 O VAL A 115 -23.566 -8.560 24.941 1.00 0.00 O ATOM 1785 CB VAL A 115 -26.269 -8.722 26.085 1.00 0.00 C ATOM 1786 CG1 VAL A 115 -25.785 -8.967 27.516 1.00 0.00 C ATOM 1787 CG2 VAL A 115 -27.791 -8.551 26.086 1.00 0.00 C ATOM 0 H VAL A 115 -26.158 -8.177 23.595 1.00 0.00 H new ATOM 0 HA VAL A 115 -25.829 -6.583 26.145 1.00 0.00 H new ATOM 0 HB VAL A 115 -25.998 -9.572 25.460 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -26.254 -9.869 27.909 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -24.702 -9.091 27.518 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -26.054 -8.116 28.142 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -28.258 -9.453 26.482 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -28.061 -7.699 26.710 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -28.139 -8.380 25.067 1.00 0.00 H new ATOM 1797 N LEU A 116 -23.375 -6.689 26.082 1.00 0.00 N ATOM 1798 CA LEU A 116 -21.885 -6.784 26.085 1.00 0.00 C ATOM 1799 C LEU A 116 -21.370 -6.999 27.512 1.00 0.00 C ATOM 1800 O LEU A 116 -20.251 -6.654 27.835 1.00 0.00 O ATOM 1801 CB LEU A 116 -21.402 -5.435 25.541 1.00 0.00 C ATOM 1802 CG LEU A 116 -20.936 -5.593 24.088 1.00 0.00 C ATOM 1803 CD1 LEU A 116 -19.781 -6.598 24.020 1.00 0.00 C ATOM 1804 CD2 LEU A 116 -22.101 -6.089 23.227 1.00 0.00 C ATOM 0 H LEU A 116 -23.758 -5.874 26.561 1.00 0.00 H new ATOM 0 HA LEU A 116 -21.524 -7.621 25.487 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -22.207 -4.702 25.596 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -20.584 -5.057 26.155 1.00 0.00 H new ATOM 0 HG LEU A 116 -20.594 -4.628 23.713 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -19.454 -6.707 22.986 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -18.950 -6.239 24.628 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -20.116 -7.564 24.398 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -21.769 -6.201 22.195 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -22.447 -7.052 23.603 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -22.917 -5.368 23.269 1.00 0.00 H new ATOM 1816 N HIS A 117 -22.180 -7.567 28.367 1.00 0.00 N ATOM 1817 CA HIS A 117 -21.737 -7.804 29.771 1.00 0.00 C ATOM 1818 C HIS A 117 -21.545 -9.302 30.022 1.00 0.00 C ATOM 1819 O HIS A 117 -22.251 -10.129 29.476 1.00 0.00 O ATOM 1820 CB HIS A 117 -22.869 -7.255 30.643 1.00 0.00 C ATOM 1821 CG HIS A 117 -22.892 -5.752 30.560 1.00 0.00 C ATOM 1822 ND1 HIS A 117 -21.914 -5.028 29.894 1.00 0.00 N ATOM 1823 CD2 HIS A 117 -23.769 -4.820 31.058 1.00 0.00 C ATOM 1824 CE1 HIS A 117 -22.224 -3.725 30.008 1.00 0.00 C ATOM 1825 NE2 HIS A 117 -23.346 -3.541 30.709 1.00 0.00 N ATOM 0 H HIS A 117 -23.128 -7.876 28.153 1.00 0.00 H new ATOM 0 HA HIS A 117 -20.784 -7.322 29.988 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -23.825 -7.661 30.313 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -22.729 -7.569 31.677 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -24.654 -5.046 31.634 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -21.637 -2.924 29.584 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -23.796 -2.655 30.939 1.00 0.00 H new ATOM 1833 N HIS A 118 -20.594 -9.656 30.844 1.00 0.00 N ATOM 1834 CA HIS A 118 -20.353 -11.100 31.135 1.00 0.00 C ATOM 1835 C HIS A 118 -21.328 -11.593 32.208 1.00 0.00 C ATOM 1836 O HIS A 118 -21.248 -11.206 33.358 1.00 0.00 O ATOM 1837 CB HIS A 118 -18.914 -11.168 31.647 1.00 0.00 C ATOM 1838 CG HIS A 118 -17.997 -11.562 30.523 1.00 0.00 C ATOM 1839 ND1 HIS A 118 -18.022 -12.829 29.960 1.00 0.00 N ATOM 1840 CD2 HIS A 118 -17.022 -10.870 29.847 1.00 0.00 C ATOM 1841 CE1 HIS A 118 -17.087 -12.860 28.991 1.00 0.00 C ATOM 1842 NE2 HIS A 118 -16.450 -11.692 28.880 1.00 0.00 N ATOM 0 H HIS A 118 -19.973 -9.007 31.327 1.00 0.00 H new ATOM 0 HA HIS A 118 -20.502 -11.728 30.257 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -18.615 -10.201 32.052 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -18.840 -11.890 32.460 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -16.742 -9.844 30.037 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -16.878 -13.725 28.378 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -15.704 -11.453 28.227 1.00 0.00 H new ATOM 1850 N HIS A 119 -22.246 -12.447 31.840 1.00 0.00 N ATOM 1851 CA HIS A 119 -23.226 -12.966 32.836 1.00 0.00 C ATOM 1852 C HIS A 119 -23.821 -14.292 32.352 1.00 0.00 C ATOM 1853 O HIS A 119 -23.439 -14.813 31.321 1.00 0.00 O ATOM 1854 CB HIS A 119 -24.312 -11.890 32.925 1.00 0.00 C ATOM 1855 CG HIS A 119 -24.665 -11.648 34.368 1.00 0.00 C ATOM 1856 ND1 HIS A 119 -25.225 -10.458 34.801 1.00 0.00 N ATOM 1857 CD2 HIS A 119 -24.545 -12.435 35.485 1.00 0.00 C ATOM 1858 CE1 HIS A 119 -25.418 -10.562 36.129 1.00 0.00 C ATOM 1859 NE2 HIS A 119 -25.021 -11.748 36.596 1.00 0.00 N ATOM 0 H HIS A 119 -22.359 -12.807 30.892 1.00 0.00 H new ATOM 0 HA HIS A 119 -22.766 -13.160 33.805 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -23.961 -10.966 32.466 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -25.197 -12.205 32.371 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -24.142 -13.437 35.499 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -25.842 -9.781 36.742 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -25.059 -12.079 37.560 1.00 0.00 H new ATOM 1867 N HIS A 120 -24.754 -14.838 33.085 1.00 0.00 N ATOM 1868 CA HIS A 120 -25.373 -16.130 32.667 1.00 0.00 C ATOM 1869 C HIS A 120 -26.287 -15.910 31.459 1.00 0.00 C ATOM 1870 O HIS A 120 -26.266 -14.867 30.833 1.00 0.00 O ATOM 1871 CB HIS A 120 -26.187 -16.592 33.877 1.00 0.00 C ATOM 1872 CG HIS A 120 -25.254 -16.932 35.006 1.00 0.00 C ATOM 1873 ND1 HIS A 120 -25.639 -16.844 36.336 1.00 0.00 N ATOM 1874 CD2 HIS A 120 -23.950 -17.361 35.023 1.00 0.00 C ATOM 1875 CE1 HIS A 120 -24.588 -17.213 37.089 1.00 0.00 C ATOM 1876 NE2 HIS A 120 -23.530 -17.537 36.339 1.00 0.00 N ATOM 0 H HIS A 120 -25.114 -14.446 33.955 1.00 0.00 H new ATOM 0 HA HIS A 120 -24.627 -16.868 32.373 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -26.878 -15.807 34.185 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -26.789 -17.462 33.614 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -23.342 -17.536 34.148 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -24.597 -17.244 38.169 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -22.613 -17.846 36.661 1.00 0.00 H new ATOM 1884 N HIS A 121 -27.089 -16.887 31.124 1.00 0.00 N ATOM 1885 CA HIS A 121 -28.005 -16.737 29.956 1.00 0.00 C ATOM 1886 C HIS A 121 -29.432 -17.130 30.351 1.00 0.00 C ATOM 1887 O HIS A 121 -30.022 -18.022 29.773 1.00 0.00 O ATOM 1888 CB HIS A 121 -27.456 -17.693 28.897 1.00 0.00 C ATOM 1889 CG HIS A 121 -27.527 -17.041 27.544 1.00 0.00 C ATOM 1890 ND1 HIS A 121 -28.428 -17.447 26.574 1.00 0.00 N ATOM 1891 CD2 HIS A 121 -26.814 -16.009 26.984 1.00 0.00 C ATOM 1892 CE1 HIS A 121 -28.237 -16.672 25.490 1.00 0.00 C ATOM 1893 NE2 HIS A 121 -27.264 -15.778 25.689 1.00 0.00 N ATOM 0 H HIS A 121 -27.149 -17.782 31.609 1.00 0.00 H new ATOM 0 HA HIS A 121 -28.048 -15.710 29.592 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -26.425 -17.957 29.131 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -28.030 -18.619 28.896 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -26.024 -15.460 27.475 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -28.800 -16.762 24.573 1.00 0.00 H new ATOM 0 HE2 HIS A 121 -26.924 -15.076 25.031 1.00 0.00 H new ATOM 1901 N HIS A 122 -29.989 -16.470 31.329 1.00 0.00 N ATOM 1902 CA HIS A 122 -31.377 -16.803 31.763 1.00 0.00 C ATOM 1903 C HIS A 122 -32.395 -16.173 30.808 1.00 0.00 C ATOM 1904 O HIS A 122 -33.117 -16.920 30.168 1.00 0.00 O ATOM 1905 CB HIS A 122 -31.511 -16.201 33.162 1.00 0.00 C ATOM 1906 CG HIS A 122 -32.399 -17.077 34.003 1.00 0.00 C ATOM 1907 ND1 HIS A 122 -31.982 -18.309 34.483 1.00 0.00 N ATOM 1908 CD2 HIS A 122 -33.684 -16.914 34.457 1.00 0.00 C ATOM 1909 CE1 HIS A 122 -32.997 -18.834 35.192 1.00 0.00 C ATOM 1910 NE2 HIS A 122 -34.060 -18.024 35.209 1.00 0.00 N ATOM 1911 OXT HIS A 122 -32.433 -14.956 30.732 1.00 0.00 O ATOM 0 H HIS A 122 -29.543 -15.713 31.848 1.00 0.00 H new ATOM 0 HA HIS A 122 -31.563 -17.877 31.762 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -30.529 -16.109 33.625 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -31.929 -15.196 33.098 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -34.309 -16.055 34.261 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -32.958 -19.793 35.687 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -34.954 -18.184 35.673 1.00 0.00 H new TER 1919 HIS A 122